USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 449 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 12 MET CE :methyl -129:sc= -0.17 (180deg=-3.24!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.0427 USER MOD Single : A 20 GLN : amide:sc= -3.08 X(o=-3.1,f=-3.1) USER MOD Single : A 22 HIS : no HD1:sc= -4.55! C(o=-4.5!,f=-5.7!) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= 1.03 K(o=1,f=-0.012) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -150:sc= -0.374 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 70:sc= 0.232 USER MOD Single : A 41 GLN : amide:sc= -0.0976 X(o=-0.098,f=-0.47) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -44:sc= 1.11 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.218) USER MOD Single : A 56 LYS NZ :NH3+ -118:sc= -0.0753 (180deg=-1.22) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 167:sc= 0.137 (180deg=-0.0882) USER MOD Single : A 62 THR OG1 : rot -30:sc= 0.0747 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 129 N PRO A 11 -1.263 0.780 -7.590 1.00 0.00 N ATOM 130 CA PRO A 11 -1.181 1.676 -6.433 1.00 0.00 C ATOM 131 C PRO A 11 -1.263 3.146 -6.831 1.00 0.00 C ATOM 132 O PRO A 11 -0.868 3.522 -7.935 1.00 0.00 O ATOM 133 CB PRO A 11 0.192 1.359 -5.836 1.00 0.00 C ATOM 134 CG PRO A 11 0.990 0.834 -6.979 1.00 0.00 C ATOM 135 CD PRO A 11 0.017 0.105 -7.864 1.00 0.00 C ATOM 0 HA PRO A 11 -2.008 1.523 -5.740 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.652 2.249 -5.408 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.115 0.623 -5.036 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.477 1.645 -7.520 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.777 0.165 -6.631 1.00 0.00 H new ATOM 0 HD2 PRO A 11 0.295 0.181 -8.915 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.029 -0.957 -7.622 1.00 0.00 H new ATOM 143 N MET A 12 -1.776 3.972 -5.926 1.00 0.00 N ATOM 144 CA MET A 12 -1.908 5.401 -6.183 1.00 0.00 C ATOM 145 C MET A 12 -0.537 6.061 -6.296 1.00 0.00 C ATOM 146 O MET A 12 0.204 6.145 -5.317 1.00 0.00 O ATOM 147 CB MET A 12 -2.718 6.069 -5.071 1.00 0.00 C ATOM 148 CG MET A 12 -2.116 5.888 -3.687 1.00 0.00 C ATOM 149 SD MET A 12 -3.336 6.055 -2.370 1.00 0.00 S ATOM 150 CE MET A 12 -3.823 7.766 -2.575 1.00 0.00 C ATOM 0 H MET A 12 -2.107 3.676 -5.008 1.00 0.00 H new ATOM 0 HA MET A 12 -2.433 5.528 -7.130 1.00 0.00 H new ATOM 0 HB2 MET A 12 -2.803 7.134 -5.285 1.00 0.00 H new ATOM 0 HB3 MET A 12 -3.729 5.662 -5.074 1.00 0.00 H new ATOM 0 HG2 MET A 12 -1.651 4.904 -3.623 1.00 0.00 H new ATOM 0 HG3 MET A 12 -1.326 6.624 -3.540 1.00 0.00 H new ATOM 0 HE1 MET A 12 -3.757 8.280 -1.616 1.00 0.00 H new ATOM 0 HE2 MET A 12 -3.160 8.250 -3.292 1.00 0.00 H new ATOM 0 HE3 MET A 12 -4.849 7.811 -2.941 1.00 0.00 H new ATOM 160 N SER A 13 -0.207 6.528 -7.496 1.00 0.00 N ATOM 161 CA SER A 13 1.077 7.177 -7.737 1.00 0.00 C ATOM 162 C SER A 13 1.074 8.603 -7.197 1.00 0.00 C ATOM 163 O SER A 13 0.030 9.134 -6.819 1.00 0.00 O ATOM 164 CB SER A 13 1.394 7.186 -9.234 1.00 0.00 C ATOM 165 OG SER A 13 1.616 5.872 -9.716 1.00 0.00 O ATOM 0 H SER A 13 -0.811 6.469 -8.316 1.00 0.00 H new ATOM 0 HA SER A 13 1.847 6.611 -7.213 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.569 7.643 -9.781 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.277 7.798 -9.418 1.00 0.00 H new ATOM 0 HG SER A 13 1.815 5.905 -10.675 1.00 0.00 H new ATOM 171 N ALA A 14 2.251 9.219 -7.164 1.00 0.00 N ATOM 172 CA ALA A 14 2.385 10.585 -6.672 1.00 0.00 C ATOM 173 C ALA A 14 1.249 11.465 -7.181 1.00 0.00 C ATOM 174 O ALA A 14 0.717 12.295 -6.443 1.00 0.00 O ATOM 175 CB ALA A 14 3.730 11.165 -7.086 1.00 0.00 C ATOM 0 H ALA A 14 3.126 8.794 -7.472 1.00 0.00 H new ATOM 0 HA ALA A 14 2.331 10.560 -5.584 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.817 12.185 -6.712 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.532 10.556 -6.669 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.805 11.169 -8.173 1.00 0.00 H new ATOM 181 N SER A 15 0.882 11.280 -8.444 1.00 0.00 N ATOM 182 CA SER A 15 -0.189 12.061 -9.052 1.00 0.00 C ATOM 183 C SER A 15 -1.445 12.026 -8.187 1.00 0.00 C ATOM 184 O SER A 15 -1.951 13.066 -7.766 1.00 0.00 O ATOM 185 CB SER A 15 -0.505 11.529 -10.452 1.00 0.00 C ATOM 186 OG SER A 15 -0.732 10.131 -10.427 1.00 0.00 O ATOM 0 H SER A 15 1.311 10.596 -9.067 1.00 0.00 H new ATOM 0 HA SER A 15 0.148 13.095 -9.131 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.385 12.036 -10.847 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.322 11.754 -11.125 1.00 0.00 H new ATOM 0 HG SER A 15 -0.933 9.816 -11.333 1.00 0.00 H new ATOM 192 N ALA A 16 -1.943 10.822 -7.926 1.00 0.00 N ATOM 193 CA ALA A 16 -3.138 10.650 -7.110 1.00 0.00 C ATOM 194 C ALA A 16 -2.917 11.174 -5.695 1.00 0.00 C ATOM 195 O ALA A 16 -3.732 11.932 -5.167 1.00 0.00 O ATOM 196 CB ALA A 16 -3.548 9.185 -7.075 1.00 0.00 C ATOM 0 H ALA A 16 -1.537 9.951 -8.268 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.943 11.230 -7.562 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.442 9.072 -6.462 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.757 8.841 -8.088 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.739 8.591 -6.650 1.00 0.00 H new ATOM 202 N LEU A 17 -1.810 10.765 -5.084 1.00 0.00 N ATOM 203 CA LEU A 17 -1.481 11.192 -3.729 1.00 0.00 C ATOM 204 C LEU A 17 -1.693 12.694 -3.565 1.00 0.00 C ATOM 205 O LEU A 17 -2.456 13.133 -2.704 1.00 0.00 O ATOM 206 CB LEU A 17 -0.032 10.831 -3.397 1.00 0.00 C ATOM 207 CG LEU A 17 0.241 9.355 -3.101 1.00 0.00 C ATOM 208 CD1 LEU A 17 1.737 9.093 -3.030 1.00 0.00 C ATOM 209 CD2 LEU A 17 -0.438 8.937 -1.805 1.00 0.00 C ATOM 0 H LEU A 17 -1.125 10.138 -5.506 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.146 10.672 -3.039 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.598 11.136 -4.233 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.279 11.418 -2.533 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.173 8.758 -3.914 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.912 8.038 -2.819 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.198 9.353 -3.983 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.175 9.699 -2.237 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.233 7.884 -1.610 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.054 9.540 -0.982 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.514 9.087 -1.893 1.00 0.00 H new ATOM 221 N PHE A 18 -1.014 13.476 -4.398 1.00 0.00 N ATOM 222 CA PHE A 18 -1.129 14.929 -4.346 1.00 0.00 C ATOM 223 C PHE A 18 -2.592 15.361 -4.379 1.00 0.00 C ATOM 224 O PHE A 18 -3.021 16.203 -3.590 1.00 0.00 O ATOM 225 CB PHE A 18 -0.372 15.563 -5.515 1.00 0.00 C ATOM 226 CG PHE A 18 -0.490 17.060 -5.563 1.00 0.00 C ATOM 227 CD1 PHE A 18 0.340 17.859 -4.793 1.00 0.00 C ATOM 228 CD2 PHE A 18 -1.430 17.668 -6.379 1.00 0.00 C ATOM 229 CE1 PHE A 18 0.233 19.236 -4.835 1.00 0.00 C ATOM 230 CE2 PHE A 18 -1.541 19.045 -6.426 1.00 0.00 C ATOM 231 CZ PHE A 18 -0.708 19.830 -5.654 1.00 0.00 C ATOM 0 H PHE A 18 -0.379 13.128 -5.116 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.689 15.270 -3.409 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.681 15.291 -5.446 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.748 15.147 -6.450 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.079 17.400 -4.153 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.084 17.059 -6.986 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.884 19.847 -4.228 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.279 19.506 -7.066 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.792 20.906 -5.690 1.00 0.00 H new ATOM 241 N VAL A 19 -3.355 14.777 -5.298 1.00 0.00 N ATOM 242 CA VAL A 19 -4.770 15.099 -5.435 1.00 0.00 C ATOM 243 C VAL A 19 -5.522 14.837 -4.135 1.00 0.00 C ATOM 244 O VAL A 19 -6.295 15.675 -3.674 1.00 0.00 O ATOM 245 CB VAL A 19 -5.424 14.285 -6.567 1.00 0.00 C ATOM 246 CG1 VAL A 19 -6.920 14.558 -6.625 1.00 0.00 C ATOM 247 CG2 VAL A 19 -4.764 14.601 -7.900 1.00 0.00 C ATOM 0 H VAL A 19 -3.016 14.078 -5.959 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.831 16.160 -5.679 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.280 13.225 -6.359 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.365 13.974 -7.431 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.378 14.277 -5.677 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.089 15.619 -6.809 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.239 14.017 -8.689 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.875 15.663 -8.118 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.705 14.350 -7.850 1.00 0.00 H new ATOM 257 N GLN A 20 -5.288 13.667 -3.548 1.00 0.00 N ATOM 258 CA GLN A 20 -5.943 13.294 -2.300 1.00 0.00 C ATOM 259 C GLN A 20 -5.502 14.205 -1.160 1.00 0.00 C ATOM 260 O GLN A 20 -6.218 14.372 -0.173 1.00 0.00 O ATOM 261 CB GLN A 20 -5.634 11.837 -1.953 1.00 0.00 C ATOM 262 CG GLN A 20 -6.462 11.298 -0.798 1.00 0.00 C ATOM 263 CD GLN A 20 -5.971 11.786 0.550 1.00 0.00 C ATOM 264 OE1 GLN A 20 -6.737 12.338 1.341 1.00 0.00 O ATOM 265 NE2 GLN A 20 -4.686 11.585 0.821 1.00 0.00 N ATOM 0 H GLN A 20 -4.650 12.962 -3.917 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.019 13.408 -2.436 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.807 11.218 -2.833 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.577 11.748 -1.704 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -7.502 11.596 -0.931 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.438 10.208 -0.816 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -4.087 11.123 0.137 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -4.299 11.892 1.713 1.00 0.00 H new ATOM 274 N ASP A 21 -4.319 14.792 -1.302 1.00 0.00 N ATOM 275 CA ASP A 21 -3.782 15.688 -0.284 1.00 0.00 C ATOM 276 C ASP A 21 -4.483 17.042 -0.327 1.00 0.00 C ATOM 277 O ASP A 21 -4.828 17.607 0.711 1.00 0.00 O ATOM 278 CB ASP A 21 -2.276 15.873 -0.480 1.00 0.00 C ATOM 279 CG ASP A 21 -1.483 14.654 -0.052 1.00 0.00 C ATOM 280 OD1 ASP A 21 -1.464 14.354 1.160 1.00 0.00 O ATOM 281 OD2 ASP A 21 -0.879 14.001 -0.929 1.00 0.00 O ATOM 0 H ASP A 21 -3.713 14.664 -2.112 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.961 15.237 0.692 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -2.072 16.085 -1.530 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -1.942 16.739 0.091 1.00 0.00 H new ATOM 286 N HIS A 22 -4.690 17.558 -1.534 1.00 0.00 N ATOM 287 CA HIS A 22 -5.349 18.846 -1.713 1.00 0.00 C ATOM 288 C HIS A 22 -6.785 18.660 -2.194 1.00 0.00 C ATOM 289 O HIS A 22 -7.465 19.627 -2.538 1.00 0.00 O ATOM 290 CB HIS A 22 -4.573 19.708 -2.709 1.00 0.00 C ATOM 291 CG HIS A 22 -3.104 19.777 -2.423 1.00 0.00 C ATOM 292 ND1 HIS A 22 -2.549 20.693 -1.555 1.00 0.00 N ATOM 293 CD2 HIS A 22 -2.074 19.036 -2.895 1.00 0.00 C ATOM 294 CE1 HIS A 22 -1.241 20.514 -1.506 1.00 0.00 C ATOM 295 NE2 HIS A 22 -0.927 19.514 -2.311 1.00 0.00 N ATOM 0 H HIS A 22 -4.411 17.103 -2.403 1.00 0.00 H new ATOM 0 HA HIS A 22 -5.370 19.351 -0.747 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -4.721 19.311 -3.713 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -4.984 20.717 -2.701 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.142 18.221 -3.600 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.547 21.087 -0.910 1.00 0.00 H new ATOM 0 HE2 HIS A 22 0.014 19.156 -2.472 1.00 0.00 H new ATOM 304 N ARG A 23 -7.239 17.411 -2.218 1.00 0.00 N ATOM 305 CA ARG A 23 -8.592 17.098 -2.659 1.00 0.00 C ATOM 306 C ARG A 23 -9.626 17.791 -1.776 1.00 0.00 C ATOM 307 O ARG A 23 -10.437 18.592 -2.240 1.00 0.00 O ATOM 308 CB ARG A 23 -8.821 15.585 -2.640 1.00 0.00 C ATOM 309 CG ARG A 23 -10.250 15.189 -2.306 1.00 0.00 C ATOM 310 CD ARG A 23 -10.425 13.679 -2.312 1.00 0.00 C ATOM 311 NE ARG A 23 -10.100 13.084 -1.019 1.00 0.00 N ATOM 312 CZ ARG A 23 -10.822 13.274 0.080 1.00 0.00 C ATOM 313 NH1 ARG A 23 -11.905 14.038 0.042 1.00 0.00 N ATOM 314 NH2 ARG A 23 -10.461 12.699 1.220 1.00 0.00 N ATOM 0 H ARG A 23 -6.689 16.599 -1.937 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.708 17.463 -3.679 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.557 15.174 -3.615 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.148 15.133 -1.911 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.519 15.584 -1.326 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.932 15.638 -3.028 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -11.454 13.435 -2.575 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.788 13.244 -3.082 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.273 12.490 -0.956 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -12.186 14.482 -0.833 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -12.457 14.182 0.887 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -9.629 12.111 1.253 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.016 12.845 2.063 1.00 0.00 H new ATOM 328 N PRO A 24 -9.598 17.475 -0.473 1.00 0.00 N ATOM 329 CA PRO A 24 -10.526 18.056 0.502 1.00 0.00 C ATOM 330 C PRO A 24 -10.252 19.535 0.753 1.00 0.00 C ATOM 331 O PRO A 24 -11.177 20.342 0.830 1.00 0.00 O ATOM 332 CB PRO A 24 -10.264 17.240 1.771 1.00 0.00 C ATOM 333 CG PRO A 24 -8.866 16.748 1.622 1.00 0.00 C ATOM 334 CD PRO A 24 -8.658 16.528 0.149 1.00 0.00 C ATOM 0 HA PRO A 24 -11.559 18.013 0.157 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.375 17.853 2.666 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.968 16.412 1.862 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.153 17.474 2.012 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.716 15.823 2.179 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.629 16.731 -0.146 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.875 15.499 -0.138 1.00 0.00 H new ATOM 342 N GLN A 25 -8.975 19.882 0.881 1.00 0.00 N ATOM 343 CA GLN A 25 -8.580 21.264 1.124 1.00 0.00 C ATOM 344 C GLN A 25 -9.173 22.193 0.069 1.00 0.00 C ATOM 345 O GLN A 25 -9.783 23.211 0.396 1.00 0.00 O ATOM 346 CB GLN A 25 -7.056 21.388 1.131 1.00 0.00 C ATOM 347 CG GLN A 25 -6.429 21.104 2.486 1.00 0.00 C ATOM 348 CD GLN A 25 -5.140 21.872 2.706 1.00 0.00 C ATOM 349 OE1 GLN A 25 -4.046 21.328 2.550 1.00 0.00 O ATOM 350 NE2 GLN A 25 -5.262 23.143 3.069 1.00 0.00 N ATOM 0 H GLN A 25 -8.197 19.225 0.820 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.965 21.559 2.100 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.640 20.699 0.396 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -6.780 22.394 0.816 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -7.139 21.361 3.272 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -6.230 20.036 2.573 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -6.188 23.553 3.187 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.429 23.710 3.230 1.00 0.00 H new ATOM 359 N PHE A 26 -8.988 21.836 -1.198 1.00 0.00 N ATOM 360 CA PHE A 26 -9.503 22.638 -2.301 1.00 0.00 C ATOM 361 C PHE A 26 -10.938 23.079 -2.029 1.00 0.00 C ATOM 362 O PHE A 26 -11.302 24.232 -2.268 1.00 0.00 O ATOM 363 CB PHE A 26 -9.440 21.846 -3.608 1.00 0.00 C ATOM 364 CG PHE A 26 -9.401 22.713 -4.834 1.00 0.00 C ATOM 365 CD1 PHE A 26 -10.570 23.228 -5.372 1.00 0.00 C ATOM 366 CD2 PHE A 26 -8.196 23.014 -5.448 1.00 0.00 C ATOM 367 CE1 PHE A 26 -10.536 24.026 -6.500 1.00 0.00 C ATOM 368 CE2 PHE A 26 -8.156 23.812 -6.576 1.00 0.00 C ATOM 369 CZ PHE A 26 -9.328 24.319 -7.102 1.00 0.00 C ATOM 0 H PHE A 26 -8.485 20.996 -1.486 1.00 0.00 H new ATOM 0 HA PHE A 26 -8.879 23.527 -2.393 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.556 21.209 -3.595 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -10.306 21.187 -3.666 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -11.517 23.003 -4.905 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -7.277 22.620 -5.040 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -11.454 24.420 -6.911 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -7.210 24.039 -7.045 1.00 0.00 H new ATOM 0 HZ PHE A 26 -9.300 24.944 -7.983 1.00 0.00 H new ATOM 379 N LEU A 27 -11.750 22.154 -1.529 1.00 0.00 N ATOM 380 CA LEU A 27 -13.147 22.446 -1.225 1.00 0.00 C ATOM 381 C LEU A 27 -13.257 23.449 -0.081 1.00 0.00 C ATOM 382 O LEU A 27 -13.827 24.529 -0.241 1.00 0.00 O ATOM 383 CB LEU A 27 -13.890 21.159 -0.863 1.00 0.00 C ATOM 384 CG LEU A 27 -14.280 20.257 -2.034 1.00 0.00 C ATOM 385 CD1 LEU A 27 -15.573 20.741 -2.673 1.00 0.00 C ATOM 386 CD2 LEU A 27 -13.161 20.207 -3.064 1.00 0.00 C ATOM 0 H LEU A 27 -11.465 21.196 -1.326 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.603 22.884 -2.113 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.266 20.583 -0.179 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.796 21.427 -0.319 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.442 19.249 -1.653 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.835 20.087 -3.505 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -16.373 20.725 -1.933 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -15.439 21.759 -3.040 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.456 19.560 -3.890 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -12.968 21.212 -3.440 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -12.257 19.813 -2.600 1.00 0.00 H new ATOM 398 N ILE A 28 -12.705 23.087 1.072 1.00 0.00 N ATOM 399 CA ILE A 28 -12.738 23.956 2.241 1.00 0.00 C ATOM 400 C ILE A 28 -12.585 25.420 1.842 1.00 0.00 C ATOM 401 O ILE A 28 -13.442 26.249 2.146 1.00 0.00 O ATOM 402 CB ILE A 28 -11.630 23.591 3.246 1.00 0.00 C ATOM 403 CG1 ILE A 28 -11.986 22.298 3.984 1.00 0.00 C ATOM 404 CG2 ILE A 28 -11.414 24.728 4.234 1.00 0.00 C ATOM 405 CD1 ILE A 28 -10.992 21.924 5.061 1.00 0.00 C ATOM 0 H ILE A 28 -12.229 22.197 1.221 1.00 0.00 H new ATOM 0 HA ILE A 28 -13.709 23.810 2.715 1.00 0.00 H new ATOM 0 HB ILE A 28 -10.702 23.431 2.698 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -12.973 22.406 4.433 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -12.051 21.484 3.263 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -10.628 24.454 4.938 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -11.121 25.628 3.694 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -12.339 24.917 4.779 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -11.308 20.998 5.542 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -10.007 21.784 4.615 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -10.944 22.720 5.804 1.00 0.00 H new ATOM 417 N GLU A 29 -11.487 25.730 1.159 1.00 0.00 N ATOM 418 CA GLU A 29 -11.223 27.094 0.717 1.00 0.00 C ATOM 419 C GLU A 29 -12.164 27.491 -0.416 1.00 0.00 C ATOM 420 O GLU A 29 -12.614 28.634 -0.491 1.00 0.00 O ATOM 421 CB GLU A 29 -9.769 27.232 0.260 1.00 0.00 C ATOM 422 CG GLU A 29 -8.791 27.462 1.400 1.00 0.00 C ATOM 423 CD GLU A 29 -8.654 28.927 1.764 1.00 0.00 C ATOM 424 OE1 GLU A 29 -7.876 29.636 1.092 1.00 0.00 O ATOM 425 OE2 GLU A 29 -9.324 29.365 2.723 1.00 0.00 O ATOM 0 H GLU A 29 -10.767 25.056 0.900 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.397 27.762 1.560 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.479 26.330 -0.279 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.695 28.061 -0.443 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.122 26.903 2.276 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.814 27.068 1.121 1.00 0.00 H new ATOM 432 N ASN A 30 -12.457 26.539 -1.295 1.00 0.00 N ATOM 433 CA ASN A 30 -13.344 26.789 -2.425 1.00 0.00 C ATOM 434 C ASN A 30 -14.638 25.991 -2.289 1.00 0.00 C ATOM 435 O ASN A 30 -14.808 24.930 -2.889 1.00 0.00 O ATOM 436 CB ASN A 30 -12.646 26.428 -3.738 1.00 0.00 C ATOM 437 CG ASN A 30 -11.312 27.132 -3.895 1.00 0.00 C ATOM 438 OD1 ASN A 30 -11.251 28.281 -4.333 1.00 0.00 O ATOM 439 ND2 ASN A 30 -10.234 26.443 -3.538 1.00 0.00 N ATOM 0 H ASN A 30 -12.093 25.587 -1.247 1.00 0.00 H new ATOM 0 HA ASN A 30 -13.591 27.851 -2.432 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -12.492 25.350 -3.780 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.293 26.691 -4.575 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -9.309 26.864 -3.622 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -10.331 25.493 -3.180 1.00 0.00 H new ATOM 446 N PRO A 31 -15.573 26.514 -1.481 1.00 0.00 N ATOM 447 CA PRO A 31 -16.868 25.868 -1.247 1.00 0.00 C ATOM 448 C PRO A 31 -17.767 25.910 -2.478 1.00 0.00 C ATOM 449 O PRO A 31 -18.580 25.012 -2.697 1.00 0.00 O ATOM 450 CB PRO A 31 -17.476 26.694 -0.111 1.00 0.00 C ATOM 451 CG PRO A 31 -16.830 28.031 -0.227 1.00 0.00 C ATOM 452 CD PRO A 31 -15.437 27.775 -0.734 1.00 0.00 C ATOM 0 HA PRO A 31 -16.759 24.809 -1.011 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -18.559 26.768 -0.211 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -17.275 26.240 0.860 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -17.383 28.673 -0.912 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -16.807 28.539 0.737 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -15.087 28.585 -1.374 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -14.722 27.683 0.084 1.00 0.00 H new ATOM 460 N LYS A 32 -17.616 26.960 -3.279 1.00 0.00 N ATOM 461 CA LYS A 32 -18.414 27.119 -4.489 1.00 0.00 C ATOM 462 C LYS A 32 -17.831 26.301 -5.637 1.00 0.00 C ATOM 463 O LYS A 32 -17.762 26.768 -6.775 1.00 0.00 O ATOM 464 CB LYS A 32 -18.485 28.596 -4.886 1.00 0.00 C ATOM 465 CG LYS A 32 -19.585 29.364 -4.175 1.00 0.00 C ATOM 466 CD LYS A 32 -20.955 29.033 -4.745 1.00 0.00 C ATOM 467 CE LYS A 32 -21.952 30.151 -4.484 1.00 0.00 C ATOM 468 NZ LYS A 32 -21.913 31.189 -5.550 1.00 0.00 N ATOM 0 H LYS A 32 -16.949 27.713 -3.112 1.00 0.00 H new ATOM 0 HA LYS A 32 -19.420 26.755 -4.282 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -17.526 29.068 -4.671 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -18.641 28.667 -5.962 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -19.566 29.128 -3.111 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -19.401 30.434 -4.267 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -20.872 28.861 -5.818 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -21.321 28.107 -4.301 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -22.957 29.734 -4.420 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -21.736 30.612 -3.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -22.607 31.933 -5.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -20.961 31.605 -5.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -22.144 30.754 -6.466 1.00 0.00 H new ATOM 482 N THR A 33 -17.412 25.077 -5.332 1.00 0.00 N ATOM 483 CA THR A 33 -16.835 24.193 -6.338 1.00 0.00 C ATOM 484 C THR A 33 -17.276 22.750 -6.120 1.00 0.00 C ATOM 485 O THR A 33 -17.363 22.283 -4.984 1.00 0.00 O ATOM 486 CB THR A 33 -15.296 24.256 -6.324 1.00 0.00 C ATOM 487 OG1 THR A 33 -14.862 25.567 -5.945 1.00 0.00 O ATOM 488 CG2 THR A 33 -14.728 23.903 -7.691 1.00 0.00 C ATOM 0 H THR A 33 -17.461 24.675 -4.396 1.00 0.00 H new ATOM 0 HA THR A 33 -17.197 24.538 -7.307 1.00 0.00 H new ATOM 0 HB THR A 33 -14.931 23.530 -5.598 1.00 0.00 H new ATOM 0 HG1 THR A 33 -14.001 25.762 -6.370 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.640 23.954 -7.657 1.00 0.00 H new ATOM 0 HG22 THR A 33 -15.036 22.893 -7.963 1.00 0.00 H new ATOM 0 HG23 THR A 33 -15.101 24.608 -8.433 1.00 0.00 H new ATOM 496 N SER A 34 -17.552 22.049 -7.215 1.00 0.00 N ATOM 497 CA SER A 34 -17.986 20.659 -7.143 1.00 0.00 C ATOM 498 C SER A 34 -16.790 19.721 -7.015 1.00 0.00 C ATOM 499 O SER A 34 -15.645 20.124 -7.227 1.00 0.00 O ATOM 500 CB SER A 34 -18.805 20.294 -8.382 1.00 0.00 C ATOM 501 OG SER A 34 -19.948 21.124 -8.502 1.00 0.00 O ATOM 0 H SER A 34 -17.483 22.421 -8.162 1.00 0.00 H new ATOM 0 HA SER A 34 -18.610 20.545 -6.257 1.00 0.00 H new ATOM 0 HB2 SER A 34 -18.185 20.393 -9.273 1.00 0.00 H new ATOM 0 HB3 SER A 34 -19.114 19.250 -8.323 1.00 0.00 H new ATOM 0 HG SER A 34 -20.453 20.871 -9.303 1.00 0.00 H new ATOM 507 N LEU A 35 -17.062 18.469 -6.667 1.00 0.00 N ATOM 508 CA LEU A 35 -16.009 17.472 -6.511 1.00 0.00 C ATOM 509 C LEU A 35 -15.084 17.462 -7.724 1.00 0.00 C ATOM 510 O LEU A 35 -13.876 17.661 -7.596 1.00 0.00 O ATOM 511 CB LEU A 35 -16.619 16.083 -6.310 1.00 0.00 C ATOM 512 CG LEU A 35 -16.985 15.713 -4.872 1.00 0.00 C ATOM 513 CD1 LEU A 35 -18.160 14.748 -4.852 1.00 0.00 C ATOM 514 CD2 LEU A 35 -15.786 15.111 -4.155 1.00 0.00 C ATOM 0 H LEU A 35 -18.003 18.120 -6.487 1.00 0.00 H new ATOM 0 HA LEU A 35 -15.422 17.735 -5.631 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -17.518 16.011 -6.923 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -15.915 15.341 -6.687 1.00 0.00 H new ATOM 0 HG LEU A 35 -17.279 16.622 -4.347 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -18.406 14.496 -3.821 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -19.023 15.215 -5.327 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -17.895 13.840 -5.394 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -16.065 14.854 -3.133 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -15.462 14.212 -4.680 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -14.971 15.835 -4.138 1.00 0.00 H new ATOM 526 N GLU A 36 -15.660 17.232 -8.900 1.00 0.00 N ATOM 527 CA GLU A 36 -14.887 17.198 -10.135 1.00 0.00 C ATOM 528 C GLU A 36 -14.096 18.491 -10.318 1.00 0.00 C ATOM 529 O GLU A 36 -12.870 18.502 -10.206 1.00 0.00 O ATOM 530 CB GLU A 36 -15.810 16.978 -11.335 1.00 0.00 C ATOM 531 CG GLU A 36 -15.146 16.245 -12.488 1.00 0.00 C ATOM 532 CD GLU A 36 -15.967 16.293 -13.761 1.00 0.00 C ATOM 533 OE1 GLU A 36 -16.843 15.420 -13.937 1.00 0.00 O ATOM 534 OE2 GLU A 36 -15.735 17.205 -14.583 1.00 0.00 O ATOM 0 H GLU A 36 -16.659 17.067 -9.023 1.00 0.00 H new ATOM 0 HA GLU A 36 -14.184 16.368 -10.070 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -16.684 16.413 -11.011 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -16.169 17.945 -11.689 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -14.166 16.683 -12.676 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -14.981 15.205 -12.206 1.00 0.00 H new ATOM 541 N ASP A 37 -14.807 19.577 -10.599 1.00 0.00 N ATOM 542 CA ASP A 37 -14.174 20.876 -10.797 1.00 0.00 C ATOM 543 C ASP A 37 -12.978 21.044 -9.865 1.00 0.00 C ATOM 544 O ASP A 37 -11.884 21.401 -10.301 1.00 0.00 O ATOM 545 CB ASP A 37 -15.183 22.000 -10.561 1.00 0.00 C ATOM 546 CG ASP A 37 -16.214 22.095 -11.669 1.00 0.00 C ATOM 547 OD1 ASP A 37 -16.902 21.086 -11.927 1.00 0.00 O ATOM 548 OD2 ASP A 37 -16.332 23.179 -12.277 1.00 0.00 O ATOM 0 H ASP A 37 -15.822 19.584 -10.695 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.820 20.928 -11.827 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -15.690 21.835 -9.610 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -14.653 22.949 -10.480 1.00 0.00 H new ATOM 553 N ALA A 38 -13.196 20.787 -8.579 1.00 0.00 N ATOM 554 CA ALA A 38 -12.136 20.910 -7.586 1.00 0.00 C ATOM 555 C ALA A 38 -10.898 20.124 -8.004 1.00 0.00 C ATOM 556 O ALA A 38 -9.772 20.610 -7.890 1.00 0.00 O ATOM 557 CB ALA A 38 -12.630 20.437 -6.227 1.00 0.00 C ATOM 0 H ALA A 38 -14.096 20.493 -8.201 1.00 0.00 H new ATOM 0 HA ALA A 38 -11.859 21.962 -7.514 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -11.829 20.534 -5.495 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -13.480 21.045 -5.917 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.936 19.393 -6.294 1.00 0.00 H new ATOM 563 N THR A 39 -11.112 18.905 -8.489 1.00 0.00 N ATOM 564 CA THR A 39 -10.014 18.051 -8.922 1.00 0.00 C ATOM 565 C THR A 39 -9.475 18.493 -10.278 1.00 0.00 C ATOM 566 O THR A 39 -8.280 18.752 -10.428 1.00 0.00 O ATOM 567 CB THR A 39 -10.450 16.576 -9.013 1.00 0.00 C ATOM 568 OG1 THR A 39 -11.135 16.194 -7.815 1.00 0.00 O ATOM 569 CG2 THR A 39 -9.249 15.668 -9.229 1.00 0.00 C ATOM 0 H THR A 39 -12.037 18.487 -8.592 1.00 0.00 H new ATOM 0 HA THR A 39 -9.228 18.144 -8.173 1.00 0.00 H new ATOM 0 HB THR A 39 -11.122 16.470 -9.865 1.00 0.00 H new ATOM 0 HG1 THR A 39 -12.006 16.642 -7.779 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.582 14.632 -9.290 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.747 15.943 -10.157 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.555 15.777 -8.395 1.00 0.00 H new ATOM 577 N LEU A 40 -10.362 18.579 -11.263 1.00 0.00 N ATOM 578 CA LEU A 40 -9.975 18.992 -12.607 1.00 0.00 C ATOM 579 C LEU A 40 -8.858 20.029 -12.558 1.00 0.00 C ATOM 580 O LEU A 40 -7.953 20.020 -13.392 1.00 0.00 O ATOM 581 CB LEU A 40 -11.182 19.561 -13.355 1.00 0.00 C ATOM 582 CG LEU A 40 -12.306 18.572 -13.666 1.00 0.00 C ATOM 583 CD1 LEU A 40 -13.586 19.313 -14.021 1.00 0.00 C ATOM 584 CD2 LEU A 40 -11.897 17.639 -14.797 1.00 0.00 C ATOM 0 H LEU A 40 -11.354 18.368 -11.156 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.607 18.114 -13.138 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.597 20.378 -12.765 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.833 19.990 -14.294 1.00 0.00 H new ATOM 0 HG LEU A 40 -12.493 17.972 -12.776 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -14.375 18.593 -14.239 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.889 19.939 -13.182 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -13.413 19.939 -14.897 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.709 16.942 -15.005 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.683 18.224 -15.692 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.006 17.082 -14.505 1.00 0.00 H new ATOM 596 N GLN A 41 -8.928 20.921 -11.574 1.00 0.00 N ATOM 597 CA GLN A 41 -7.921 21.963 -11.416 1.00 0.00 C ATOM 598 C GLN A 41 -6.663 21.409 -10.756 1.00 0.00 C ATOM 599 O GLN A 41 -5.546 21.692 -11.191 1.00 0.00 O ATOM 600 CB GLN A 41 -8.480 23.120 -10.586 1.00 0.00 C ATOM 601 CG GLN A 41 -9.355 24.074 -11.383 1.00 0.00 C ATOM 602 CD GLN A 41 -9.895 25.213 -10.540 1.00 0.00 C ATOM 603 OE1 GLN A 41 -9.135 26.032 -10.023 1.00 0.00 O ATOM 604 NE2 GLN A 41 -11.214 25.271 -10.398 1.00 0.00 N ATOM 0 H GLN A 41 -9.671 20.942 -10.875 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.657 22.331 -12.407 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.060 22.714 -9.757 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.651 23.678 -10.151 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.778 24.483 -12.213 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.188 23.521 -11.816 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.806 24.571 -10.844 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.635 26.016 -9.843 1.00 0.00 H new ATOM 613 N ILE A 42 -6.851 20.620 -9.703 1.00 0.00 N ATOM 614 CA ILE A 42 -5.731 20.026 -8.984 1.00 0.00 C ATOM 615 C ILE A 42 -4.850 19.206 -9.919 1.00 0.00 C ATOM 616 O ILE A 42 -3.623 19.254 -9.833 1.00 0.00 O ATOM 617 CB ILE A 42 -6.216 19.126 -7.832 1.00 0.00 C ATOM 618 CG1 ILE A 42 -6.869 19.970 -6.736 1.00 0.00 C ATOM 619 CG2 ILE A 42 -5.056 18.319 -7.267 1.00 0.00 C ATOM 620 CD1 ILE A 42 -7.569 19.148 -5.677 1.00 0.00 C ATOM 0 H ILE A 42 -7.769 20.378 -9.329 1.00 0.00 H new ATOM 0 HA ILE A 42 -5.149 20.850 -8.571 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.961 18.432 -8.221 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.106 20.587 -6.261 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.589 20.649 -7.192 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.414 17.688 -6.454 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.631 17.693 -8.052 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.291 18.997 -6.890 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.009 19.812 -4.933 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.355 18.551 -6.140 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -6.849 18.488 -5.194 1.00 0.00 H new ATOM 632 N GLU A 43 -5.484 18.455 -10.814 1.00 0.00 N ATOM 633 CA GLU A 43 -4.756 17.625 -11.767 1.00 0.00 C ATOM 634 C GLU A 43 -3.804 18.469 -12.609 1.00 0.00 C ATOM 635 O GLU A 43 -2.605 18.200 -12.665 1.00 0.00 O ATOM 636 CB GLU A 43 -5.734 16.878 -12.677 1.00 0.00 C ATOM 637 CG GLU A 43 -6.231 15.567 -12.092 1.00 0.00 C ATOM 638 CD GLU A 43 -6.996 14.731 -13.099 1.00 0.00 C ATOM 639 OE1 GLU A 43 -6.446 14.462 -14.187 1.00 0.00 O ATOM 640 OE2 GLU A 43 -8.145 14.345 -12.798 1.00 0.00 O ATOM 0 H GLU A 43 -6.499 18.404 -10.899 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.168 16.900 -11.204 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.589 17.522 -12.883 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.248 16.679 -13.632 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.381 14.994 -11.721 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.873 15.776 -11.236 1.00 0.00 H new ATOM 647 N GLU A 44 -4.349 19.491 -13.261 1.00 0.00 N ATOM 648 CA GLU A 44 -3.548 20.375 -14.101 1.00 0.00 C ATOM 649 C GLU A 44 -2.496 21.106 -13.273 1.00 0.00 C ATOM 650 O GLU A 44 -1.466 21.535 -13.795 1.00 0.00 O ATOM 651 CB GLU A 44 -4.446 21.387 -14.816 1.00 0.00 C ATOM 652 CG GLU A 44 -5.190 22.314 -13.871 1.00 0.00 C ATOM 653 CD GLU A 44 -5.646 23.593 -14.546 1.00 0.00 C ATOM 654 OE1 GLU A 44 -4.907 24.102 -15.415 1.00 0.00 O ATOM 655 OE2 GLU A 44 -6.742 24.085 -14.206 1.00 0.00 O ATOM 0 H GLU A 44 -5.341 19.728 -13.224 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.038 19.764 -14.846 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.837 21.985 -15.494 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.170 20.849 -15.428 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.057 21.793 -13.465 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.544 22.563 -13.029 1.00 0.00 H new ATOM 662 N LEU A 45 -2.763 21.247 -11.979 1.00 0.00 N ATOM 663 CA LEU A 45 -1.840 21.927 -11.077 1.00 0.00 C ATOM 664 C LEU A 45 -0.652 21.032 -10.736 1.00 0.00 C ATOM 665 O LEU A 45 0.469 21.511 -10.566 1.00 0.00 O ATOM 666 CB LEU A 45 -2.563 22.345 -9.796 1.00 0.00 C ATOM 667 CG LEU A 45 -1.675 22.615 -8.581 1.00 0.00 C ATOM 668 CD1 LEU A 45 -0.811 23.845 -8.814 1.00 0.00 C ATOM 669 CD2 LEU A 45 -2.521 22.784 -7.328 1.00 0.00 C ATOM 0 H LEU A 45 -3.611 20.900 -11.531 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.466 22.817 -11.583 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.140 23.245 -10.006 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.276 21.563 -9.533 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.018 21.757 -8.438 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.186 24.022 -7.939 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.177 23.685 -9.686 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.450 24.712 -8.984 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.872 22.975 -6.474 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.204 23.624 -7.460 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.095 21.874 -7.151 1.00 0.00 H new ATOM 681 N TRP A 46 -0.906 19.733 -10.641 1.00 0.00 N ATOM 682 CA TRP A 46 0.143 18.770 -10.322 1.00 0.00 C ATOM 683 C TRP A 46 1.042 18.527 -11.529 1.00 0.00 C ATOM 684 O TRP A 46 2.207 18.154 -11.383 1.00 0.00 O ATOM 685 CB TRP A 46 -0.473 17.450 -9.854 1.00 0.00 C ATOM 686 CG TRP A 46 0.484 16.298 -9.907 1.00 0.00 C ATOM 687 CD1 TRP A 46 0.596 15.371 -10.904 1.00 0.00 C ATOM 688 CD2 TRP A 46 1.461 15.948 -8.921 1.00 0.00 C ATOM 689 NE1 TRP A 46 1.584 14.467 -10.597 1.00 0.00 N ATOM 690 CE2 TRP A 46 2.130 14.800 -9.386 1.00 0.00 C ATOM 691 CE3 TRP A 46 1.836 16.495 -7.691 1.00 0.00 C ATOM 692 CZ2 TRP A 46 3.151 14.190 -8.662 1.00 0.00 C ATOM 693 CZ3 TRP A 46 2.850 15.889 -6.974 1.00 0.00 C ATOM 694 CH2 TRP A 46 3.499 14.746 -7.461 1.00 0.00 C ATOM 0 H TRP A 46 -1.829 19.321 -10.780 1.00 0.00 H new ATOM 0 HA TRP A 46 0.751 19.184 -9.517 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.833 17.567 -8.832 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -1.340 17.222 -10.474 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -0.004 15.352 -11.802 1.00 0.00 H new ATOM 0 HE1 TRP A 46 1.865 13.676 -11.177 1.00 0.00 H new ATOM 0 HE3 TRP A 46 1.342 17.376 -7.308 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 3.651 13.309 -9.035 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 3.148 16.303 -6.022 1.00 0.00 H new ATOM 0 HH2 TRP A 46 4.288 14.296 -6.877 1.00 0.00 H new ATOM 705 N LYS A 47 0.496 18.740 -12.721 1.00 0.00 N ATOM 706 CA LYS A 47 1.250 18.545 -13.954 1.00 0.00 C ATOM 707 C LYS A 47 2.092 19.775 -14.277 1.00 0.00 C ATOM 708 O LYS A 47 2.803 19.808 -15.282 1.00 0.00 O ATOM 709 CB LYS A 47 0.299 18.246 -15.115 1.00 0.00 C ATOM 710 CG LYS A 47 -0.460 16.939 -14.959 1.00 0.00 C ATOM 711 CD LYS A 47 -1.819 16.999 -15.635 1.00 0.00 C ATOM 712 CE LYS A 47 -1.686 17.180 -17.139 1.00 0.00 C ATOM 713 NZ LYS A 47 -2.860 17.889 -17.719 1.00 0.00 N ATOM 0 H LYS A 47 -0.466 19.048 -12.860 1.00 0.00 H new ATOM 0 HA LYS A 47 1.919 17.696 -13.811 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.417 19.063 -15.207 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.870 18.216 -16.043 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.125 16.125 -15.387 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.589 16.716 -13.900 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.372 16.083 -15.425 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.398 17.823 -15.218 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.778 17.742 -17.358 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.580 16.205 -17.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.731 17.992 -18.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.724 17.341 -17.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.947 18.830 -17.285 1.00 0.00 H new ATOM 727 N THR A 48 2.008 20.786 -13.418 1.00 0.00 N ATOM 728 CA THR A 48 2.763 22.018 -13.612 1.00 0.00 C ATOM 729 C THR A 48 3.467 22.440 -12.327 1.00 0.00 C ATOM 730 O THR A 48 3.933 23.573 -12.206 1.00 0.00 O ATOM 731 CB THR A 48 1.851 23.166 -14.085 1.00 0.00 C ATOM 732 OG1 THR A 48 2.632 24.340 -14.335 1.00 0.00 O ATOM 733 CG2 THR A 48 0.784 23.473 -13.046 1.00 0.00 C ATOM 0 H THR A 48 1.425 20.776 -12.581 1.00 0.00 H new ATOM 0 HA THR A 48 3.508 21.815 -14.381 1.00 0.00 H new ATOM 0 HB THR A 48 1.359 22.854 -15.006 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.277 24.464 -13.608 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.153 24.287 -13.402 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.173 22.586 -12.879 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.261 23.767 -12.111 1.00 0.00 H new ATOM 741 N LEU A 49 3.542 21.521 -11.371 1.00 0.00 N ATOM 742 CA LEU A 49 4.191 21.797 -10.094 1.00 0.00 C ATOM 743 C LEU A 49 5.697 21.959 -10.272 1.00 0.00 C ATOM 744 O LEU A 49 6.212 21.887 -11.388 1.00 0.00 O ATOM 745 CB LEU A 49 3.902 20.672 -9.099 1.00 0.00 C ATOM 746 CG LEU A 49 2.650 20.843 -8.238 1.00 0.00 C ATOM 747 CD1 LEU A 49 2.358 19.569 -7.460 1.00 0.00 C ATOM 748 CD2 LEU A 49 2.810 22.023 -7.291 1.00 0.00 C ATOM 0 H LEU A 49 3.162 20.578 -11.456 1.00 0.00 H new ATOM 0 HA LEU A 49 3.787 22.731 -9.704 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.813 19.738 -9.653 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.762 20.569 -8.438 1.00 0.00 H new ATOM 0 HG LEU A 49 1.805 21.044 -8.897 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.464 19.710 -6.853 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.198 18.746 -8.156 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.203 19.337 -6.812 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.909 22.129 -6.686 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.667 21.853 -6.639 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.969 22.934 -7.868 1.00 0.00 H new ATOM 760 N SER A 50 6.399 22.177 -9.165 1.00 0.00 N ATOM 761 CA SER A 50 7.847 22.350 -9.199 1.00 0.00 C ATOM 762 C SER A 50 8.555 20.999 -9.231 1.00 0.00 C ATOM 763 O SER A 50 7.969 19.972 -8.893 1.00 0.00 O ATOM 764 CB SER A 50 8.314 23.155 -7.985 1.00 0.00 C ATOM 765 OG SER A 50 8.281 24.546 -8.252 1.00 0.00 O ATOM 0 H SER A 50 5.989 22.238 -8.233 1.00 0.00 H new ATOM 0 HA SER A 50 8.102 22.896 -10.108 1.00 0.00 H new ATOM 0 HB2 SER A 50 7.677 22.931 -7.129 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.327 22.857 -7.715 1.00 0.00 H new ATOM 0 HG SER A 50 8.582 25.038 -7.460 1.00 0.00 H new ATOM 771 N GLU A 51 9.820 21.011 -9.640 1.00 0.00 N ATOM 772 CA GLU A 51 10.608 19.787 -9.717 1.00 0.00 C ATOM 773 C GLU A 51 10.592 19.044 -8.384 1.00 0.00 C ATOM 774 O GLU A 51 10.007 17.968 -8.270 1.00 0.00 O ATOM 775 CB GLU A 51 12.050 20.107 -10.117 1.00 0.00 C ATOM 776 CG GLU A 51 12.873 18.877 -10.464 1.00 0.00 C ATOM 777 CD GLU A 51 12.548 18.326 -11.838 1.00 0.00 C ATOM 778 OE1 GLU A 51 11.411 18.541 -12.309 1.00 0.00 O ATOM 779 OE2 GLU A 51 13.430 17.681 -12.443 1.00 0.00 O ATOM 0 H GLU A 51 10.320 21.854 -9.923 1.00 0.00 H new ATOM 0 HA GLU A 51 10.161 19.145 -10.476 1.00 0.00 H new ATOM 0 HB2 GLU A 51 12.039 20.780 -10.974 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.535 20.640 -9.299 1.00 0.00 H new ATOM 0 HG2 GLU A 51 13.933 19.129 -10.419 1.00 0.00 H new ATOM 0 HG3 GLU A 51 12.697 18.104 -9.716 1.00 0.00 H new ATOM 786 N GLU A 52 11.239 19.627 -7.380 1.00 0.00 N ATOM 787 CA GLU A 52 11.299 19.020 -6.056 1.00 0.00 C ATOM 788 C GLU A 52 9.908 18.608 -5.582 1.00 0.00 C ATOM 789 O GLU A 52 9.696 17.470 -5.166 1.00 0.00 O ATOM 790 CB GLU A 52 11.925 19.991 -5.053 1.00 0.00 C ATOM 791 CG GLU A 52 12.085 19.408 -3.659 1.00 0.00 C ATOM 792 CD GLU A 52 13.102 18.285 -3.610 1.00 0.00 C ATOM 793 OE1 GLU A 52 12.933 17.298 -4.356 1.00 0.00 O ATOM 794 OE2 GLU A 52 14.067 18.393 -2.824 1.00 0.00 O ATOM 0 H GLU A 52 11.729 20.518 -7.458 1.00 0.00 H new ATOM 0 HA GLU A 52 11.920 18.127 -6.122 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.903 20.301 -5.422 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.307 20.887 -4.994 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.388 20.198 -2.971 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.121 19.036 -3.312 1.00 0.00 H new ATOM 801 N GLU A 53 8.966 19.543 -5.649 1.00 0.00 N ATOM 802 CA GLU A 53 7.596 19.278 -5.225 1.00 0.00 C ATOM 803 C GLU A 53 7.157 17.879 -5.649 1.00 0.00 C ATOM 804 O GLU A 53 6.578 17.132 -4.860 1.00 0.00 O ATOM 805 CB GLU A 53 6.645 20.323 -5.813 1.00 0.00 C ATOM 806 CG GLU A 53 5.226 20.223 -5.280 1.00 0.00 C ATOM 807 CD GLU A 53 5.023 21.022 -4.008 1.00 0.00 C ATOM 808 OE1 GLU A 53 4.722 22.229 -4.106 1.00 0.00 O ATOM 809 OE2 GLU A 53 5.166 20.438 -2.912 1.00 0.00 O ATOM 0 H GLU A 53 9.126 20.490 -5.992 1.00 0.00 H new ATOM 0 HA GLU A 53 7.561 19.337 -4.137 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.035 21.318 -5.599 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.625 20.215 -6.897 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.530 20.576 -6.041 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.986 19.177 -5.090 1.00 0.00 H new ATOM 816 N LYS A 54 7.437 17.531 -6.900 1.00 0.00 N ATOM 817 CA LYS A 54 7.072 16.223 -7.431 1.00 0.00 C ATOM 818 C LYS A 54 7.914 15.123 -6.791 1.00 0.00 C ATOM 819 O LYS A 54 7.396 14.070 -6.416 1.00 0.00 O ATOM 820 CB LYS A 54 7.252 16.198 -8.950 1.00 0.00 C ATOM 821 CG LYS A 54 6.209 17.009 -9.699 1.00 0.00 C ATOM 822 CD LYS A 54 6.092 16.566 -11.148 1.00 0.00 C ATOM 823 CE LYS A 54 4.799 17.059 -11.780 1.00 0.00 C ATOM 824 NZ LYS A 54 4.643 16.570 -13.177 1.00 0.00 N ATOM 0 H LYS A 54 7.916 18.137 -7.566 1.00 0.00 H new ATOM 0 HA LYS A 54 6.024 16.041 -7.193 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.243 16.580 -9.196 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.214 15.165 -9.295 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.242 16.904 -9.206 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.473 18.066 -9.661 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.943 16.945 -11.715 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.132 15.478 -11.201 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.952 16.725 -11.181 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.784 18.149 -11.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.027 17.220 -13.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.575 16.526 -13.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.217 15.621 -13.167 1.00 0.00 H new ATOM 838 N LEU A 55 9.212 15.374 -6.668 1.00 0.00 N ATOM 839 CA LEU A 55 10.125 14.405 -6.071 1.00 0.00 C ATOM 840 C LEU A 55 9.694 14.052 -4.651 1.00 0.00 C ATOM 841 O LEU A 55 9.384 12.898 -4.353 1.00 0.00 O ATOM 842 CB LEU A 55 11.551 14.958 -6.060 1.00 0.00 C ATOM 843 CG LEU A 55 12.396 14.660 -7.299 1.00 0.00 C ATOM 844 CD1 LEU A 55 12.670 13.168 -7.413 1.00 0.00 C ATOM 845 CD2 LEU A 55 11.704 15.174 -8.553 1.00 0.00 C ATOM 0 H LEU A 55 9.656 16.240 -6.973 1.00 0.00 H new ATOM 0 HA LEU A 55 10.098 13.498 -6.675 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.499 16.039 -5.932 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.068 14.558 -5.188 1.00 0.00 H new ATOM 0 HG LEU A 55 13.350 15.177 -7.197 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.273 12.976 -8.301 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.208 12.828 -6.528 1.00 0.00 H new ATOM 0 HD13 LEU A 55 11.726 12.630 -7.492 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.320 14.953 -9.425 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.735 14.686 -8.660 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.561 16.252 -8.474 1.00 0.00 H new ATOM 857 N LYS A 56 9.674 15.054 -3.779 1.00 0.00 N ATOM 858 CA LYS A 56 9.277 14.852 -2.390 1.00 0.00 C ATOM 859 C LYS A 56 8.136 13.844 -2.292 1.00 0.00 C ATOM 860 O LYS A 56 8.058 13.071 -1.337 1.00 0.00 O ATOM 861 CB LYS A 56 8.853 16.181 -1.761 1.00 0.00 C ATOM 862 CG LYS A 56 7.807 16.930 -2.568 1.00 0.00 C ATOM 863 CD LYS A 56 7.196 18.069 -1.769 1.00 0.00 C ATOM 864 CE LYS A 56 8.172 19.225 -1.611 1.00 0.00 C ATOM 865 NZ LYS A 56 9.034 19.062 -0.408 1.00 0.00 N ATOM 0 H LYS A 56 9.928 16.015 -4.009 1.00 0.00 H new ATOM 0 HA LYS A 56 10.135 14.457 -1.846 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.462 15.992 -0.762 1.00 0.00 H new ATOM 0 HB3 LYS A 56 9.732 16.815 -1.644 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.261 17.325 -3.477 1.00 0.00 H new ATOM 0 HG3 LYS A 56 7.022 16.240 -2.878 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.292 18.420 -2.267 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.898 17.706 -0.785 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.799 19.295 -2.500 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.618 20.161 -1.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.863 19.848 0.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.808 18.162 0.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 10.034 19.062 -0.695 1.00 0.00 H new ATOM 879 N TYR A 57 7.254 13.857 -3.285 1.00 0.00 N ATOM 880 CA TYR A 57 6.116 12.945 -3.309 1.00 0.00 C ATOM 881 C TYR A 57 6.492 11.624 -3.973 1.00 0.00 C ATOM 882 O TYR A 57 6.074 10.554 -3.531 1.00 0.00 O ATOM 883 CB TYR A 57 4.939 13.584 -4.049 1.00 0.00 C ATOM 884 CG TYR A 57 4.017 14.375 -3.149 1.00 0.00 C ATOM 885 CD1 TYR A 57 3.086 13.736 -2.340 1.00 0.00 C ATOM 886 CD2 TYR A 57 4.077 15.763 -3.109 1.00 0.00 C ATOM 887 CE1 TYR A 57 2.241 14.456 -1.517 1.00 0.00 C ATOM 888 CE2 TYR A 57 3.237 16.491 -2.289 1.00 0.00 C ATOM 889 CZ TYR A 57 2.320 15.832 -1.495 1.00 0.00 C ATOM 890 OH TYR A 57 1.481 16.553 -0.676 1.00 0.00 O ATOM 0 H TYR A 57 7.305 14.489 -4.084 1.00 0.00 H new ATOM 0 HA TYR A 57 5.822 12.743 -2.279 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.324 14.241 -4.829 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.365 12.802 -4.546 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.021 12.658 -2.354 1.00 0.00 H new ATOM 0 HD2 TYR A 57 4.793 16.281 -3.730 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.523 13.943 -0.894 1.00 0.00 H new ATOM 0 HE2 TYR A 57 3.297 17.569 -2.269 1.00 0.00 H new ATOM 0 HH TYR A 57 1.666 17.510 -0.779 1.00 0.00 H new ATOM 900 N GLU A 58 7.284 11.708 -5.038 1.00 0.00 N ATOM 901 CA GLU A 58 7.716 10.519 -5.763 1.00 0.00 C ATOM 902 C GLU A 58 8.255 9.462 -4.803 1.00 0.00 C ATOM 903 O GLU A 58 7.816 8.312 -4.822 1.00 0.00 O ATOM 904 CB GLU A 58 8.789 10.884 -6.791 1.00 0.00 C ATOM 905 CG GLU A 58 8.224 11.416 -8.098 1.00 0.00 C ATOM 906 CD GLU A 58 9.175 11.228 -9.264 1.00 0.00 C ATOM 907 OE1 GLU A 58 10.204 11.932 -9.310 1.00 0.00 O ATOM 908 OE2 GLU A 58 8.888 10.375 -10.131 1.00 0.00 O ATOM 0 H GLU A 58 7.639 12.586 -5.417 1.00 0.00 H new ATOM 0 HA GLU A 58 6.851 10.106 -6.282 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.453 11.633 -6.360 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.396 10.003 -6.999 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.284 10.910 -8.316 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.997 12.476 -7.987 1.00 0.00 H new ATOM 915 N GLU A 59 9.208 9.861 -3.967 1.00 0.00 N ATOM 916 CA GLU A 59 9.807 8.947 -3.001 1.00 0.00 C ATOM 917 C GLU A 59 8.731 8.233 -2.188 1.00 0.00 C ATOM 918 O GLU A 59 8.873 7.059 -1.845 1.00 0.00 O ATOM 919 CB GLU A 59 10.749 9.706 -2.065 1.00 0.00 C ATOM 920 CG GLU A 59 12.153 9.876 -2.620 1.00 0.00 C ATOM 921 CD GLU A 59 13.143 10.344 -1.572 1.00 0.00 C ATOM 922 OE1 GLU A 59 12.808 11.281 -0.817 1.00 0.00 O ATOM 923 OE2 GLU A 59 14.253 9.775 -1.506 1.00 0.00 O ATOM 0 H GLU A 59 9.582 10.810 -3.939 1.00 0.00 H new ATOM 0 HA GLU A 59 10.378 8.199 -3.552 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.327 10.690 -1.859 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.805 9.178 -1.113 1.00 0.00 H new ATOM 0 HG2 GLU A 59 12.492 8.927 -3.036 1.00 0.00 H new ATOM 0 HG3 GLU A 59 12.131 10.594 -3.440 1.00 0.00 H new ATOM 930 N LYS A 60 7.655 8.950 -1.882 1.00 0.00 N ATOM 931 CA LYS A 60 6.554 8.387 -1.111 1.00 0.00 C ATOM 932 C LYS A 60 5.806 7.332 -1.920 1.00 0.00 C ATOM 933 O LYS A 60 5.210 6.413 -1.359 1.00 0.00 O ATOM 934 CB LYS A 60 5.588 9.493 -0.679 1.00 0.00 C ATOM 935 CG LYS A 60 6.253 10.604 0.117 1.00 0.00 C ATOM 936 CD LYS A 60 5.244 11.366 0.959 1.00 0.00 C ATOM 937 CE LYS A 60 4.565 12.465 0.156 1.00 0.00 C ATOM 938 NZ LYS A 60 5.447 13.652 -0.016 1.00 0.00 N ATOM 0 H LYS A 60 7.522 9.923 -2.157 1.00 0.00 H new ATOM 0 HA LYS A 60 6.972 7.911 -0.224 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.120 9.922 -1.565 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.791 9.054 -0.079 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.022 10.180 0.763 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.753 11.292 -0.564 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.492 10.676 1.341 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.745 11.802 1.823 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.282 12.078 -0.823 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.645 12.766 0.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.046 14.280 -0.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.518 14.165 0.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.394 13.341 -0.312 1.00 0.00 H new ATOM 952 N ALA A 61 5.843 7.470 -3.241 1.00 0.00 N ATOM 953 CA ALA A 61 5.171 6.527 -4.127 1.00 0.00 C ATOM 954 C ALA A 61 6.044 5.304 -4.390 1.00 0.00 C ATOM 955 O ALA A 61 5.633 4.170 -4.140 1.00 0.00 O ATOM 956 CB ALA A 61 4.802 7.206 -5.438 1.00 0.00 C ATOM 0 H ALA A 61 6.331 8.226 -3.722 1.00 0.00 H new ATOM 0 HA ALA A 61 4.258 6.191 -3.635 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.301 6.490 -6.090 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.134 8.044 -5.238 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.706 7.570 -5.926 1.00 0.00 H new ATOM 962 N THR A 62 7.250 5.541 -4.896 1.00 0.00 N ATOM 963 CA THR A 62 8.180 4.459 -5.194 1.00 0.00 C ATOM 964 C THR A 62 8.428 3.593 -3.965 1.00 0.00 C ATOM 965 O THR A 62 8.873 2.451 -4.076 1.00 0.00 O ATOM 966 CB THR A 62 9.527 5.002 -5.707 1.00 0.00 C ATOM 967 OG1 THR A 62 10.339 3.923 -6.184 1.00 0.00 O ATOM 968 CG2 THR A 62 10.264 5.750 -4.606 1.00 0.00 C ATOM 0 H THR A 62 7.606 6.473 -5.108 1.00 0.00 H new ATOM 0 HA THR A 62 7.720 3.853 -5.975 1.00 0.00 H new ATOM 0 HB THR A 62 9.327 5.695 -6.524 1.00 0.00 H new ATOM 0 HG1 THR A 62 10.128 3.108 -5.682 1.00 0.00 H new ATOM 0 HG21 THR A 62 11.212 6.124 -4.992 1.00 0.00 H new ATOM 0 HG22 THR A 62 9.655 6.587 -4.265 1.00 0.00 H new ATOM 0 HG23 THR A 62 10.453 5.075 -3.771 1.00 0.00 H new ATOM 976 N LYS A 63 8.138 4.143 -2.790 1.00 0.00 N ATOM 977 CA LYS A 63 8.328 3.421 -1.538 1.00 0.00 C ATOM 978 C LYS A 63 7.297 2.306 -1.392 1.00 0.00 C ATOM 979 O LYS A 63 7.538 1.311 -0.708 1.00 0.00 O ATOM 980 CB LYS A 63 8.228 4.381 -0.351 1.00 0.00 C ATOM 981 CG LYS A 63 8.621 3.753 0.975 1.00 0.00 C ATOM 982 CD LYS A 63 8.486 4.740 2.122 1.00 0.00 C ATOM 983 CE LYS A 63 9.615 5.759 2.115 1.00 0.00 C ATOM 984 NZ LYS A 63 9.382 6.852 3.100 1.00 0.00 N ATOM 0 H LYS A 63 7.770 5.088 -2.679 1.00 0.00 H new ATOM 0 HA LYS A 63 9.322 2.974 -1.552 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.867 5.244 -0.538 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.205 4.751 -0.279 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.993 2.883 1.167 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.650 3.397 0.919 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.528 5.256 2.049 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.487 4.201 3.069 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.557 5.259 2.343 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.714 6.185 1.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.173 7.526 3.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.496 7.345 2.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.313 6.449 4.056 1.00 0.00 H new ATOM 998 N ASP A 64 6.149 2.479 -2.038 1.00 0.00 N ATOM 999 CA ASP A 64 5.082 1.486 -1.981 1.00 0.00 C ATOM 1000 C ASP A 64 4.899 0.808 -3.335 1.00 0.00 C ATOM 1001 O ASP A 64 4.256 -0.238 -3.436 1.00 0.00 O ATOM 1002 CB ASP A 64 3.771 2.140 -1.543 1.00 0.00 C ATOM 1003 CG ASP A 64 2.865 1.178 -0.800 1.00 0.00 C ATOM 1004 OD1 ASP A 64 3.373 0.427 0.058 1.00 0.00 O ATOM 1005 OD2 ASP A 64 1.647 1.175 -1.078 1.00 0.00 O ATOM 0 H ASP A 64 5.933 3.297 -2.607 1.00 0.00 H new ATOM 0 HA ASP A 64 5.363 0.728 -1.250 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.991 2.995 -0.904 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.249 2.523 -2.420 1.00 0.00 H new ATOM 1010 N LEU A 65 5.467 1.410 -4.374 1.00 0.00 N ATOM 1011 CA LEU A 65 5.366 0.865 -5.724 1.00 0.00 C ATOM 1012 C LEU A 65 5.928 -0.552 -5.782 1.00 0.00 C ATOM 1013 O LEU A 65 5.334 -1.441 -6.392 1.00 0.00 O ATOM 1014 CB LEU A 65 6.109 1.762 -6.715 1.00 0.00 C ATOM 1015 CG LEU A 65 6.050 1.334 -8.182 1.00 0.00 C ATOM 1016 CD1 LEU A 65 4.674 1.615 -8.764 1.00 0.00 C ATOM 1017 CD2 LEU A 65 7.128 2.045 -8.988 1.00 0.00 C ATOM 0 H LEU A 65 6.002 2.276 -4.308 1.00 0.00 H new ATOM 0 HA LEU A 65 4.311 0.829 -5.997 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.704 2.771 -6.635 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.155 1.813 -6.414 1.00 0.00 H new ATOM 0 HG LEU A 65 6.232 0.261 -8.236 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.650 1.304 -9.808 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.922 1.060 -8.203 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.462 2.682 -8.698 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.072 1.729 -10.030 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.976 3.123 -8.927 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.109 1.793 -8.585 1.00 0.00 H new