USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 490 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 TYR OH : rot -95:sc= 0.0803 USER MOD Set 1.2: A 45 CYS SG : rot -28:sc= -2.33 USER MOD Set 2.1: A 27 HIS :FLIP no HD1:sc= -0.119 F(o=-4.4,f=-3.6) USER MOD Set 2.2: A 31 HIS :FLIP no HD1:sc= -3.45! C(o=-5.2!,f=-3.6!) USER MOD Set 3.1: A 14 SER OG : rot 180:sc= -0.172 USER MOD Set 3.2: A 15 SER OG : rot 180:sc= 0.0143 USER MOD Single : A 12 LYS NZ :NH3+ -169:sc= -0.187 (180deg=-0.357) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.453 K(o=-0.45,f=-1) USER MOD Single : A 22 THR OG1 : rot 94:sc= 1.23 USER MOD Single : A 23 SER OG : rot 96:sc= 1.09 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0.023 USER MOD Single : A 37 ASN : amide:sc= -0.85 X(o=-0.85,f=-1.2) USER MOD Single : A 42 SER OG : rot 170:sc= -1.68 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -87:sc= 0.31 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 1:sc= -0.802 USER MOD Single : A 52 MET CE :methyl -163:sc= -1.95 (180deg=-2.41) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -135:sc= 0.201 (180deg=-8.35e-05) USER MOD Single : A 58 SER OG : rot 180:sc= 0.0154 USER MOD Single : A 59 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.204) USER MOD Single : A 63 MET CE :methyl -145:sc= -0.35 (180deg=-1.57!) USER MOD Single : A 65 LYS NZ :NH3+ 175:sc=-0.00425 (180deg=-0.0173) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 163 N LYS A 12 -12.696 10.096 -3.910 1.00 0.00 N ATOM 164 CA LYS A 12 -11.853 8.869 -3.769 1.00 0.00 C ATOM 165 C LYS A 12 -12.694 7.617 -4.031 1.00 0.00 C ATOM 166 O LYS A 12 -12.235 6.664 -4.629 1.00 0.00 O ATOM 167 CB LYS A 12 -11.351 8.893 -2.319 1.00 0.00 C ATOM 168 CG LYS A 12 -9.845 8.623 -2.288 1.00 0.00 C ATOM 169 CD LYS A 12 -9.272 9.076 -0.944 1.00 0.00 C ATOM 170 CE LYS A 12 -9.738 8.122 0.158 1.00 0.00 C ATOM 171 NZ LYS A 12 -8.882 8.446 1.333 1.00 0.00 N ATOM 0 HA LYS A 12 -11.028 8.850 -4.482 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.566 9.861 -1.866 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.877 8.142 -1.730 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.652 7.561 -2.438 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.353 9.154 -3.103 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.183 9.093 -0.988 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.598 10.092 -0.722 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.794 8.268 0.386 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.618 7.081 -0.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.008 7.718 2.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.885 8.473 1.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.155 9.373 1.716 1.00 0.00 H new ATOM 185 N MET A 13 -13.929 7.616 -3.586 1.00 0.00 N ATOM 186 CA MET A 13 -14.825 6.430 -3.799 1.00 0.00 C ATOM 187 C MET A 13 -14.155 5.144 -3.299 1.00 0.00 C ATOM 188 O MET A 13 -13.362 4.536 -3.993 1.00 0.00 O ATOM 189 CB MET A 13 -15.055 6.360 -5.313 1.00 0.00 C ATOM 190 CG MET A 13 -16.367 5.625 -5.596 1.00 0.00 C ATOM 191 SD MET A 13 -16.912 5.991 -7.282 1.00 0.00 S ATOM 192 CE MET A 13 -18.691 5.996 -6.949 1.00 0.00 C ATOM 0 H MET A 13 -14.359 8.391 -3.081 1.00 0.00 H new ATOM 0 HA MET A 13 -15.761 6.530 -3.249 1.00 0.00 H new ATOM 0 HB2 MET A 13 -15.091 7.365 -5.733 1.00 0.00 H new ATOM 0 HB3 MET A 13 -14.225 5.843 -5.794 1.00 0.00 H new ATOM 0 HG2 MET A 13 -16.229 4.551 -5.472 1.00 0.00 H new ATOM 0 HG3 MET A 13 -17.130 5.932 -4.881 1.00 0.00 H new ATOM 0 HE1 MET A 13 -19.233 6.206 -7.871 1.00 0.00 H new ATOM 0 HE2 MET A 13 -18.992 5.021 -6.565 1.00 0.00 H new ATOM 0 HE3 MET A 13 -18.921 6.764 -6.210 1.00 0.00 H new ATOM 202 N SER A 14 -14.473 4.730 -2.098 1.00 0.00 N ATOM 203 CA SER A 14 -13.858 3.482 -1.544 1.00 0.00 C ATOM 204 C SER A 14 -14.235 2.279 -2.413 1.00 0.00 C ATOM 205 O SER A 14 -14.796 2.427 -3.481 1.00 0.00 O ATOM 206 CB SER A 14 -14.446 3.332 -0.140 1.00 0.00 C ATOM 207 OG SER A 14 -13.972 2.122 0.440 1.00 0.00 O ATOM 0 H SER A 14 -15.131 5.201 -1.477 1.00 0.00 H new ATOM 0 HA SER A 14 -12.769 3.535 -1.524 1.00 0.00 H new ATOM 0 HB2 SER A 14 -14.160 4.182 0.479 1.00 0.00 H new ATOM 0 HB3 SER A 14 -15.535 3.324 -0.188 1.00 0.00 H new ATOM 0 HG SER A 14 -14.345 2.023 1.341 1.00 0.00 H new ATOM 213 N SER A 15 -13.928 1.090 -1.958 1.00 0.00 N ATOM 214 CA SER A 15 -14.264 -0.130 -2.751 1.00 0.00 C ATOM 215 C SER A 15 -15.730 -0.516 -2.534 1.00 0.00 C ATOM 216 O SER A 15 -16.365 -1.086 -3.401 1.00 0.00 O ATOM 217 CB SER A 15 -13.339 -1.222 -2.214 1.00 0.00 C ATOM 218 OG SER A 15 -13.537 -1.358 -0.813 1.00 0.00 O ATOM 0 H SER A 15 -13.458 0.912 -1.070 1.00 0.00 H new ATOM 0 HA SER A 15 -14.131 0.026 -3.822 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.544 -2.168 -2.715 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.299 -0.970 -2.423 1.00 0.00 H new ATOM 0 HG SER A 15 -12.947 -2.059 -0.466 1.00 0.00 H new ATOM 224 N TYR A 16 -16.267 -0.205 -1.382 1.00 0.00 N ATOM 225 CA TYR A 16 -17.696 -0.550 -1.099 1.00 0.00 C ATOM 226 C TYR A 16 -18.623 0.230 -2.036 1.00 0.00 C ATOM 227 O TYR A 16 -19.709 -0.216 -2.358 1.00 0.00 O ATOM 228 CB TYR A 16 -17.932 -0.134 0.354 1.00 0.00 C ATOM 229 CG TYR A 16 -19.096 -0.914 0.918 1.00 0.00 C ATOM 230 CD1 TYR A 16 -18.940 -2.266 1.245 1.00 0.00 C ATOM 231 CD2 TYR A 16 -20.331 -0.283 1.115 1.00 0.00 C ATOM 232 CE1 TYR A 16 -20.020 -2.988 1.768 1.00 0.00 C ATOM 233 CE2 TYR A 16 -21.410 -1.005 1.638 1.00 0.00 C ATOM 234 CZ TYR A 16 -21.255 -2.358 1.965 1.00 0.00 C ATOM 235 OH TYR A 16 -22.319 -3.070 2.480 1.00 0.00 O ATOM 0 H TYR A 16 -15.779 0.273 -0.624 1.00 0.00 H new ATOM 0 HA TYR A 16 -17.900 -1.609 -1.255 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -17.036 -0.318 0.946 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -18.136 0.935 0.409 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -17.987 -2.752 1.094 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -20.451 0.760 0.863 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -19.900 -4.031 2.020 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -22.362 -0.519 1.789 1.00 0.00 H new ATOM 0 HH TYR A 16 -22.876 -3.403 1.746 1.00 0.00 H new ATOM 245 N ALA A 17 -18.201 1.389 -2.474 1.00 0.00 N ATOM 246 CA ALA A 17 -19.053 2.205 -3.392 1.00 0.00 C ATOM 247 C ALA A 17 -18.998 1.633 -4.811 1.00 0.00 C ATOM 248 O ALA A 17 -19.937 1.758 -5.574 1.00 0.00 O ATOM 249 CB ALA A 17 -18.448 3.610 -3.356 1.00 0.00 C ATOM 0 H ALA A 17 -17.301 1.806 -2.235 1.00 0.00 H new ATOM 0 HA ALA A 17 -20.100 2.206 -3.090 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -19.021 4.270 -4.008 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -18.477 3.993 -2.336 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -17.414 3.570 -3.699 1.00 0.00 H new ATOM 255 N PHE A 18 -17.905 1.006 -5.166 1.00 0.00 N ATOM 256 CA PHE A 18 -17.781 0.422 -6.536 1.00 0.00 C ATOM 257 C PHE A 18 -18.515 -0.920 -6.608 1.00 0.00 C ATOM 258 O PHE A 18 -18.991 -1.320 -7.653 1.00 0.00 O ATOM 259 CB PHE A 18 -16.280 0.223 -6.750 1.00 0.00 C ATOM 260 CG PHE A 18 -15.666 1.513 -7.241 1.00 0.00 C ATOM 261 CD1 PHE A 18 -16.095 2.077 -8.449 1.00 0.00 C ATOM 262 CD2 PHE A 18 -14.668 2.143 -6.489 1.00 0.00 C ATOM 263 CE1 PHE A 18 -15.526 3.273 -8.904 1.00 0.00 C ATOM 264 CE2 PHE A 18 -14.097 3.339 -6.945 1.00 0.00 C ATOM 265 CZ PHE A 18 -14.527 3.903 -8.152 1.00 0.00 C ATOM 0 H PHE A 18 -17.092 0.873 -4.565 1.00 0.00 H new ATOM 0 HA PHE A 18 -18.219 1.066 -7.299 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.807 -0.086 -5.818 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -16.107 -0.573 -7.474 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -16.864 1.590 -9.029 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -14.338 1.708 -5.557 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -15.858 3.709 -9.835 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -13.326 3.825 -6.366 1.00 0.00 H new ATOM 0 HZ PHE A 18 -14.088 4.825 -8.503 1.00 0.00 H new ATOM 275 N PHE A 19 -18.608 -1.615 -5.502 1.00 0.00 N ATOM 276 CA PHE A 19 -19.312 -2.935 -5.497 1.00 0.00 C ATOM 277 C PHE A 19 -20.803 -2.739 -5.779 1.00 0.00 C ATOM 278 O PHE A 19 -21.382 -3.423 -6.602 1.00 0.00 O ATOM 279 CB PHE A 19 -19.101 -3.499 -4.090 1.00 0.00 C ATOM 280 CG PHE A 19 -19.378 -4.983 -4.094 1.00 0.00 C ATOM 281 CD1 PHE A 19 -18.634 -5.832 -4.923 1.00 0.00 C ATOM 282 CD2 PHE A 19 -20.378 -5.510 -3.269 1.00 0.00 C ATOM 283 CE1 PHE A 19 -18.891 -7.208 -4.925 1.00 0.00 C ATOM 284 CE2 PHE A 19 -20.635 -6.886 -3.272 1.00 0.00 C ATOM 285 CZ PHE A 19 -19.892 -7.735 -4.100 1.00 0.00 C ATOM 0 H PHE A 19 -18.227 -1.325 -4.601 1.00 0.00 H new ATOM 0 HA PHE A 19 -18.928 -3.608 -6.264 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -18.079 -3.310 -3.761 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -19.762 -2.997 -3.383 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -17.863 -5.425 -5.560 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -20.952 -4.855 -2.630 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -18.317 -7.863 -5.563 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -21.407 -7.292 -2.635 1.00 0.00 H new ATOM 0 HZ PHE A 19 -20.091 -8.797 -4.103 1.00 0.00 H new ATOM 295 N VAL A 20 -21.426 -1.806 -5.103 1.00 0.00 N ATOM 296 CA VAL A 20 -22.884 -1.556 -5.328 1.00 0.00 C ATOM 297 C VAL A 20 -23.100 -0.926 -6.710 1.00 0.00 C ATOM 298 O VAL A 20 -24.139 -1.094 -7.320 1.00 0.00 O ATOM 299 CB VAL A 20 -23.301 -0.588 -4.214 1.00 0.00 C ATOM 300 CG1 VAL A 20 -24.781 -0.219 -4.365 1.00 0.00 C ATOM 301 CG2 VAL A 20 -23.083 -1.258 -2.855 1.00 0.00 C ATOM 0 H VAL A 20 -20.988 -1.206 -4.404 1.00 0.00 H new ATOM 0 HA VAL A 20 -23.473 -2.473 -5.303 1.00 0.00 H new ATOM 0 HB VAL A 20 -22.698 0.318 -4.283 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -25.068 0.469 -3.569 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -24.940 0.258 -5.332 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -25.389 -1.121 -4.301 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -23.378 -0.573 -2.060 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -23.685 -2.164 -2.795 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -22.030 -1.514 -2.740 1.00 0.00 H new ATOM 311 N GLN A 21 -22.126 -0.203 -7.203 1.00 0.00 N ATOM 312 CA GLN A 21 -22.271 0.441 -8.544 1.00 0.00 C ATOM 313 C GLN A 21 -22.078 -0.597 -9.653 1.00 0.00 C ATOM 314 O GLN A 21 -22.838 -0.652 -10.601 1.00 0.00 O ATOM 315 CB GLN A 21 -21.169 1.499 -8.603 1.00 0.00 C ATOM 316 CG GLN A 21 -21.675 2.722 -9.371 1.00 0.00 C ATOM 317 CD GLN A 21 -21.900 2.347 -10.838 1.00 0.00 C ATOM 318 OE1 GLN A 21 -22.991 1.975 -11.221 1.00 0.00 O ATOM 319 NE2 GLN A 21 -20.907 2.431 -11.680 1.00 0.00 N ATOM 0 H GLN A 21 -21.236 -0.031 -6.735 1.00 0.00 H new ATOM 0 HA GLN A 21 -23.260 0.878 -8.685 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -20.873 1.787 -7.594 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -20.284 1.091 -9.091 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -22.604 3.082 -8.930 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -20.952 3.534 -9.299 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -19.991 2.743 -11.359 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -21.047 2.184 -12.660 1.00 0.00 H new ATOM 328 N THR A 22 -21.067 -1.421 -9.537 1.00 0.00 N ATOM 329 CA THR A 22 -20.818 -2.462 -10.583 1.00 0.00 C ATOM 330 C THR A 22 -21.842 -3.594 -10.458 1.00 0.00 C ATOM 331 O THR A 22 -22.168 -4.254 -11.426 1.00 0.00 O ATOM 332 CB THR A 22 -19.406 -2.982 -10.303 1.00 0.00 C ATOM 333 OG1 THR A 22 -18.507 -1.886 -10.221 1.00 0.00 O ATOM 334 CG2 THR A 22 -18.973 -3.919 -11.431 1.00 0.00 C ATOM 0 H THR A 22 -20.403 -1.418 -8.763 1.00 0.00 H new ATOM 0 HA THR A 22 -20.910 -2.061 -11.592 1.00 0.00 H new ATOM 0 HB THR A 22 -19.399 -3.527 -9.359 1.00 0.00 H new ATOM 0 HG1 THR A 22 -18.410 -1.612 -9.285 1.00 0.00 H new ATOM 0 HG21 THR A 22 -17.967 -4.289 -11.231 1.00 0.00 H new ATOM 0 HG22 THR A 22 -19.664 -4.760 -11.491 1.00 0.00 H new ATOM 0 HG23 THR A 22 -18.979 -3.377 -12.377 1.00 0.00 H new ATOM 342 N SER A 23 -22.347 -3.822 -9.272 1.00 0.00 N ATOM 343 CA SER A 23 -23.350 -4.911 -9.075 1.00 0.00 C ATOM 344 C SER A 23 -24.742 -4.441 -9.511 1.00 0.00 C ATOM 345 O SER A 23 -25.583 -5.237 -9.884 1.00 0.00 O ATOM 346 CB SER A 23 -23.328 -5.207 -7.575 1.00 0.00 C ATOM 347 OG SER A 23 -22.059 -5.739 -7.221 1.00 0.00 O ATOM 0 H SER A 23 -22.107 -3.299 -8.430 1.00 0.00 H new ATOM 0 HA SER A 23 -23.117 -5.795 -9.668 1.00 0.00 H new ATOM 0 HB2 SER A 23 -23.524 -4.296 -7.010 1.00 0.00 H new ATOM 0 HB3 SER A 23 -24.116 -5.916 -7.321 1.00 0.00 H new ATOM 0 HG SER A 23 -21.484 -5.019 -6.886 1.00 0.00 H new ATOM 353 N ARG A 24 -24.988 -3.155 -9.469 1.00 0.00 N ATOM 354 CA ARG A 24 -26.327 -2.630 -9.883 1.00 0.00 C ATOM 355 C ARG A 24 -26.464 -2.684 -11.407 1.00 0.00 C ATOM 356 O ARG A 24 -27.511 -3.014 -11.931 1.00 0.00 O ATOM 357 CB ARG A 24 -26.363 -1.182 -9.392 1.00 0.00 C ATOM 358 CG ARG A 24 -27.756 -0.596 -9.630 1.00 0.00 C ATOM 359 CD ARG A 24 -27.785 0.125 -10.979 1.00 0.00 C ATOM 360 NE ARG A 24 -27.566 1.562 -10.651 1.00 0.00 N ATOM 361 CZ ARG A 24 -28.170 2.488 -11.344 1.00 0.00 C ATOM 362 NH1 ARG A 24 -27.678 2.869 -12.492 1.00 0.00 N ATOM 363 NH2 ARG A 24 -29.264 3.035 -10.889 1.00 0.00 N ATOM 0 H ARG A 24 -24.320 -2.446 -9.166 1.00 0.00 H new ATOM 0 HA ARG A 24 -27.145 -3.217 -9.467 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -26.116 -1.140 -8.331 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -25.613 -0.590 -9.917 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -28.503 -1.390 -9.614 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -28.011 0.098 -8.829 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -27.008 -0.251 -11.645 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -28.738 -0.024 -11.486 1.00 0.00 H new ATOM 0 HE ARG A 24 -26.944 1.822 -9.885 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -26.822 2.443 -12.847 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -28.150 3.593 -13.034 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -29.647 2.739 -9.991 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -29.736 3.759 -11.431 1.00 0.00 H new ATOM 377 N GLU A 25 -25.411 -2.365 -12.115 1.00 0.00 N ATOM 378 CA GLU A 25 -25.471 -2.397 -13.610 1.00 0.00 C ATOM 379 C GLU A 25 -25.766 -3.819 -14.092 1.00 0.00 C ATOM 380 O GLU A 25 -26.690 -4.046 -14.851 1.00 0.00 O ATOM 381 CB GLU A 25 -24.084 -1.950 -14.081 1.00 0.00 C ATOM 382 CG GLU A 25 -23.877 -0.478 -13.724 1.00 0.00 C ATOM 383 CD GLU A 25 -22.980 0.181 -14.773 1.00 0.00 C ATOM 384 OE1 GLU A 25 -21.794 -0.102 -14.771 1.00 0.00 O ATOM 385 OE2 GLU A 25 -23.495 0.957 -15.560 1.00 0.00 O ATOM 0 H GLU A 25 -24.512 -2.084 -11.724 1.00 0.00 H new ATOM 0 HA GLU A 25 -26.258 -1.753 -14.003 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -23.314 -2.561 -13.611 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -23.990 -2.091 -15.158 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -24.838 0.035 -13.678 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -23.423 -0.393 -12.737 1.00 0.00 H new ATOM 392 N GLU A 26 -24.990 -4.776 -13.651 1.00 0.00 N ATOM 393 CA GLU A 26 -25.222 -6.191 -14.075 1.00 0.00 C ATOM 394 C GLU A 26 -26.605 -6.654 -13.609 1.00 0.00 C ATOM 395 O GLU A 26 -27.247 -7.460 -14.253 1.00 0.00 O ATOM 396 CB GLU A 26 -24.123 -7.005 -13.387 1.00 0.00 C ATOM 397 CG GLU A 26 -24.231 -8.471 -13.809 1.00 0.00 C ATOM 398 CD GLU A 26 -23.123 -9.281 -13.131 1.00 0.00 C ATOM 399 OE1 GLU A 26 -23.316 -9.674 -11.993 1.00 0.00 O ATOM 400 OE2 GLU A 26 -22.101 -9.492 -13.762 1.00 0.00 O ATOM 0 H GLU A 26 -24.205 -4.639 -13.015 1.00 0.00 H new ATOM 0 HA GLU A 26 -25.190 -6.308 -15.158 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -23.143 -6.610 -13.654 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -24.217 -6.920 -12.304 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -25.208 -8.869 -13.533 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -24.147 -8.556 -14.892 1.00 0.00 H new ATOM 407 N HIS A 27 -27.064 -6.142 -12.496 1.00 0.00 N ATOM 408 CA HIS A 27 -28.410 -6.540 -11.974 1.00 0.00 C ATOM 409 C HIS A 27 -29.506 -6.090 -12.946 1.00 0.00 C ATOM 410 O HIS A 27 -30.523 -6.740 -13.088 1.00 0.00 O ATOM 411 CB HIS A 27 -28.549 -5.810 -10.634 1.00 0.00 C ATOM 412 CG HIS A 27 -29.843 -6.198 -9.975 1.00 0.00 C ATOM 413 ND1 HIS A 27 -31.147 -5.854 -10.237 1.00 0.00 N flip ATOM 414 CD2 HIS A 27 -29.890 -7.056 -8.888 1.00 0.00 C flip ATOM 415 CE1 HIS A 27 -31.990 -6.489 -9.330 1.00 0.00 C flip ATOM 416 NE2 HIS A 27 -31.182 -7.199 -8.539 1.00 0.00 N flip ATOM 0 H HIS A 27 -26.564 -5.463 -11.923 1.00 0.00 H new ATOM 0 HA HIS A 27 -28.507 -7.620 -11.861 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -27.710 -6.060 -9.984 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -28.520 -4.732 -10.792 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -29.044 -7.525 -8.408 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -33.067 -6.422 -9.277 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -31.505 -7.779 -7.765 1.00 0.00 H new ATOM 424 N LYS A 28 -29.302 -4.982 -13.611 1.00 0.00 N ATOM 425 CA LYS A 28 -30.329 -4.479 -14.575 1.00 0.00 C ATOM 426 C LYS A 28 -30.527 -5.478 -15.720 1.00 0.00 C ATOM 427 O LYS A 28 -31.608 -5.998 -15.920 1.00 0.00 O ATOM 428 CB LYS A 28 -29.767 -3.159 -15.110 1.00 0.00 C ATOM 429 CG LYS A 28 -30.885 -2.365 -15.789 1.00 0.00 C ATOM 430 CD LYS A 28 -30.289 -1.142 -16.491 1.00 0.00 C ATOM 431 CE LYS A 28 -31.417 -0.221 -16.961 1.00 0.00 C ATOM 432 NZ LYS A 28 -30.732 1.014 -17.435 1.00 0.00 N ATOM 0 H LYS A 28 -28.467 -4.402 -13.528 1.00 0.00 H new ATOM 0 HA LYS A 28 -31.301 -4.346 -14.100 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -29.337 -2.577 -14.294 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -28.963 -3.355 -15.820 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -31.406 -2.994 -16.511 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -31.622 -2.050 -15.050 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -29.627 -0.606 -15.811 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -29.684 -1.457 -17.342 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -31.997 -0.683 -17.760 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -32.111 -0.001 -16.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -31.441 1.696 -17.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -30.194 1.435 -16.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -30.083 0.775 -18.211 1.00 0.00 H new ATOM 446 N LYS A 29 -29.490 -5.743 -16.472 1.00 0.00 N ATOM 447 CA LYS A 29 -29.609 -6.705 -17.613 1.00 0.00 C ATOM 448 C LYS A 29 -30.000 -8.101 -17.112 1.00 0.00 C ATOM 449 O LYS A 29 -30.524 -8.907 -17.857 1.00 0.00 O ATOM 450 CB LYS A 29 -28.220 -6.740 -18.257 1.00 0.00 C ATOM 451 CG LYS A 29 -28.015 -5.482 -19.102 1.00 0.00 C ATOM 452 CD LYS A 29 -26.547 -5.379 -19.516 1.00 0.00 C ATOM 453 CE LYS A 29 -26.358 -4.173 -20.439 1.00 0.00 C ATOM 454 NZ LYS A 29 -24.883 -3.987 -20.532 1.00 0.00 N ATOM 0 H LYS A 29 -28.564 -5.335 -16.346 1.00 0.00 H new ATOM 0 HA LYS A 29 -30.381 -6.398 -18.318 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -27.452 -6.802 -17.486 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -28.119 -7.629 -18.879 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -28.652 -5.517 -19.986 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -28.307 -4.598 -18.534 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -25.916 -5.277 -18.633 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -26.237 -6.292 -20.025 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -26.796 -4.355 -21.421 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -26.843 -3.285 -20.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -24.674 -3.177 -21.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -24.495 -3.809 -19.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -24.449 -4.845 -20.928 1.00 0.00 H new ATOM 468 N LYS A 30 -29.745 -8.392 -15.861 1.00 0.00 N ATOM 469 CA LYS A 30 -30.092 -9.730 -15.310 1.00 0.00 C ATOM 470 C LYS A 30 -31.497 -9.683 -14.676 1.00 0.00 C ATOM 471 O LYS A 30 -32.149 -10.701 -14.534 1.00 0.00 O ATOM 472 CB LYS A 30 -28.967 -9.980 -14.287 1.00 0.00 C ATOM 473 CG LYS A 30 -29.364 -11.015 -13.232 1.00 0.00 C ATOM 474 CD LYS A 30 -28.292 -12.105 -13.130 1.00 0.00 C ATOM 475 CE LYS A 30 -28.539 -12.949 -11.878 1.00 0.00 C ATOM 476 NZ LYS A 30 -27.537 -14.048 -11.952 1.00 0.00 N ATOM 0 H LYS A 30 -29.308 -7.753 -15.196 1.00 0.00 H new ATOM 0 HA LYS A 30 -30.147 -10.532 -16.046 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -28.073 -10.321 -14.809 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -28.711 -9.042 -13.795 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -29.492 -10.529 -12.265 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -30.323 -11.462 -13.493 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -28.315 -12.737 -14.018 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -27.301 -11.653 -13.087 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -28.410 -12.358 -10.971 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -29.556 -13.342 -11.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -27.643 -14.671 -11.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -27.688 -14.598 -12.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -26.579 -13.644 -11.960 1.00 0.00 H new ATOM 490 N HIS A 31 -31.968 -8.516 -14.304 1.00 0.00 N ATOM 491 CA HIS A 31 -33.327 -8.414 -13.692 1.00 0.00 C ATOM 492 C HIS A 31 -34.125 -7.282 -14.360 1.00 0.00 C ATOM 493 O HIS A 31 -34.155 -6.177 -13.857 1.00 0.00 O ATOM 494 CB HIS A 31 -33.080 -8.096 -12.217 1.00 0.00 C ATOM 495 CG HIS A 31 -32.337 -9.235 -11.575 1.00 0.00 C ATOM 496 ND1 HIS A 31 -31.130 -9.292 -10.926 1.00 0.00 N flip ATOM 497 CD2 HIS A 31 -32.840 -10.526 -11.550 1.00 0.00 C flip ATOM 498 CE1 HIS A 31 -30.888 -10.592 -10.498 1.00 0.00 C flip ATOM 499 NE2 HIS A 31 -31.945 -11.295 -10.903 1.00 0.00 N flip ATOM 0 H HIS A 31 -31.469 -7.632 -14.399 1.00 0.00 H new ATOM 0 HA HIS A 31 -33.904 -9.330 -13.818 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -32.505 -7.175 -12.124 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -34.029 -7.933 -11.706 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -33.778 -10.855 -11.972 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -30.028 -10.954 -9.954 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -32.062 -12.295 -10.742 1.00 0.00 H new ATOM 507 N PRO A 32 -34.752 -7.589 -15.477 1.00 0.00 N ATOM 508 CA PRO A 32 -35.549 -6.562 -16.195 1.00 0.00 C ATOM 509 C PRO A 32 -36.849 -6.270 -15.441 1.00 0.00 C ATOM 510 O PRO A 32 -37.247 -5.129 -15.293 1.00 0.00 O ATOM 511 CB PRO A 32 -35.840 -7.211 -17.546 1.00 0.00 C ATOM 512 CG PRO A 32 -35.760 -8.682 -17.297 1.00 0.00 C ATOM 513 CD PRO A 32 -34.783 -8.889 -16.170 1.00 0.00 C ATOM 0 HA PRO A 32 -35.031 -5.608 -16.289 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -36.825 -6.927 -17.916 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -35.115 -6.898 -18.298 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -36.740 -9.082 -17.036 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -35.430 -9.207 -18.194 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -35.107 -9.688 -15.503 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -33.797 -9.165 -16.543 1.00 0.00 H new ATOM 521 N ASP A 33 -37.512 -7.294 -14.965 1.00 0.00 N ATOM 522 CA ASP A 33 -38.789 -7.086 -14.221 1.00 0.00 C ATOM 523 C ASP A 33 -38.541 -7.172 -12.710 1.00 0.00 C ATOM 524 O ASP A 33 -39.076 -8.030 -12.031 1.00 0.00 O ATOM 525 CB ASP A 33 -39.705 -8.220 -14.684 1.00 0.00 C ATOM 526 CG ASP A 33 -41.149 -7.905 -14.287 1.00 0.00 C ATOM 527 OD1 ASP A 33 -41.744 -7.049 -14.921 1.00 0.00 O ATOM 528 OD2 ASP A 33 -41.635 -8.526 -13.357 1.00 0.00 O ATOM 0 H ASP A 33 -37.222 -8.267 -15.061 1.00 0.00 H new ATOM 0 HA ASP A 33 -39.227 -6.106 -14.413 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -39.632 -8.342 -15.765 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -39.391 -9.162 -14.235 1.00 0.00 H new ATOM 533 N SER A 34 -37.734 -6.287 -12.183 1.00 0.00 N ATOM 534 CA SER A 34 -37.444 -6.307 -10.719 1.00 0.00 C ATOM 535 C SER A 34 -36.801 -4.986 -10.287 1.00 0.00 C ATOM 536 O SER A 34 -35.963 -4.440 -10.979 1.00 0.00 O ATOM 537 CB SER A 34 -36.468 -7.467 -10.524 1.00 0.00 C ATOM 538 OG SER A 34 -36.670 -8.040 -9.239 1.00 0.00 O ATOM 0 H SER A 34 -37.262 -5.549 -12.706 1.00 0.00 H new ATOM 0 HA SER A 34 -38.348 -6.429 -10.122 1.00 0.00 H new ATOM 0 HB2 SER A 34 -36.620 -8.219 -11.298 1.00 0.00 H new ATOM 0 HB3 SER A 34 -35.441 -7.114 -10.620 1.00 0.00 H new ATOM 0 HG SER A 34 -36.047 -8.785 -9.112 1.00 0.00 H new ATOM 544 N SER A 35 -37.190 -4.473 -9.147 1.00 0.00 N ATOM 545 CA SER A 35 -36.610 -3.189 -8.661 1.00 0.00 C ATOM 546 C SER A 35 -35.348 -3.459 -7.839 1.00 0.00 C ATOM 547 O SER A 35 -34.999 -4.596 -7.581 1.00 0.00 O ATOM 548 CB SER A 35 -37.699 -2.570 -7.785 1.00 0.00 C ATOM 549 OG SER A 35 -38.049 -3.484 -6.756 1.00 0.00 O ATOM 0 H SER A 35 -37.887 -4.892 -8.531 1.00 0.00 H new ATOM 0 HA SER A 35 -36.321 -2.529 -9.479 1.00 0.00 H new ATOM 0 HB2 SER A 35 -37.345 -1.635 -7.352 1.00 0.00 H new ATOM 0 HB3 SER A 35 -38.575 -2.331 -8.388 1.00 0.00 H new ATOM 0 HG SER A 35 -38.746 -3.090 -6.191 1.00 0.00 H new ATOM 555 N VAL A 36 -34.665 -2.423 -7.425 1.00 0.00 N ATOM 556 CA VAL A 36 -33.424 -2.612 -6.617 1.00 0.00 C ATOM 557 C VAL A 36 -32.984 -1.278 -6.001 1.00 0.00 C ATOM 558 O VAL A 36 -31.964 -0.725 -6.364 1.00 0.00 O ATOM 559 CB VAL A 36 -32.378 -3.137 -7.609 1.00 0.00 C ATOM 560 CG1 VAL A 36 -32.148 -2.113 -8.726 1.00 0.00 C ATOM 561 CG2 VAL A 36 -31.060 -3.393 -6.874 1.00 0.00 C ATOM 0 H VAL A 36 -34.914 -1.452 -7.612 1.00 0.00 H new ATOM 0 HA VAL A 36 -33.569 -3.303 -5.787 1.00 0.00 H new ATOM 0 HB VAL A 36 -32.741 -4.066 -8.048 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -31.404 -2.497 -9.424 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -33.084 -1.936 -9.255 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -31.792 -1.177 -8.294 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -30.317 -3.766 -7.579 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -30.704 -2.463 -6.430 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -31.219 -4.132 -6.089 1.00 0.00 H new ATOM 571 N ASN A 37 -33.745 -0.766 -5.063 1.00 0.00 N ATOM 572 CA ASN A 37 -33.369 0.529 -4.410 1.00 0.00 C ATOM 573 C ASN A 37 -31.992 0.397 -3.755 1.00 0.00 C ATOM 574 O ASN A 37 -31.322 -0.608 -3.918 1.00 0.00 O ATOM 575 CB ASN A 37 -34.446 0.778 -3.352 1.00 0.00 C ATOM 576 CG ASN A 37 -35.812 0.900 -4.030 1.00 0.00 C ATOM 577 OD1 ASN A 37 -35.904 1.322 -5.166 1.00 0.00 O ATOM 578 ND2 ASN A 37 -36.886 0.546 -3.377 1.00 0.00 N ATOM 0 H ASN A 37 -34.609 -1.188 -4.722 1.00 0.00 H new ATOM 0 HA ASN A 37 -33.311 1.351 -5.123 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -34.458 -0.040 -2.631 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -34.221 1.689 -2.797 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -37.801 0.624 -3.820 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -36.810 0.192 -2.424 1.00 0.00 H new ATOM 585 N PHE A 38 -31.562 1.393 -3.021 1.00 0.00 N ATOM 586 CA PHE A 38 -30.223 1.300 -2.366 1.00 0.00 C ATOM 587 C PHE A 38 -30.292 0.396 -1.141 1.00 0.00 C ATOM 588 O PHE A 38 -29.403 -0.380 -0.907 1.00 0.00 O ATOM 589 CB PHE A 38 -29.853 2.721 -1.952 1.00 0.00 C ATOM 590 CG PHE A 38 -29.717 3.583 -3.183 1.00 0.00 C ATOM 591 CD1 PHE A 38 -28.532 3.548 -3.927 1.00 0.00 C ATOM 592 CD2 PHE A 38 -30.772 4.411 -3.584 1.00 0.00 C ATOM 593 CE1 PHE A 38 -28.399 4.342 -5.071 1.00 0.00 C ATOM 594 CE2 PHE A 38 -30.639 5.205 -4.730 1.00 0.00 C ATOM 595 CZ PHE A 38 -29.453 5.170 -5.473 1.00 0.00 C ATOM 0 H PHE A 38 -32.075 2.258 -2.849 1.00 0.00 H new ATOM 0 HA PHE A 38 -29.481 0.875 -3.042 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -30.618 3.130 -1.291 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -28.917 2.717 -1.393 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -27.719 2.907 -3.618 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -31.687 4.438 -3.011 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -27.484 4.316 -5.643 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -31.452 5.845 -5.041 1.00 0.00 H new ATOM 0 HZ PHE A 38 -29.351 5.782 -6.357 1.00 0.00 H new ATOM 605 N ALA A 39 -31.332 0.493 -0.354 1.00 0.00 N ATOM 606 CA ALA A 39 -31.424 -0.373 0.864 1.00 0.00 C ATOM 607 C ALA A 39 -31.677 -1.826 0.481 1.00 0.00 C ATOM 608 O ALA A 39 -31.054 -2.725 1.014 1.00 0.00 O ATOM 609 CB ALA A 39 -32.590 0.188 1.678 1.00 0.00 C ATOM 0 H ALA A 39 -32.117 1.128 -0.498 1.00 0.00 H new ATOM 0 HA ALA A 39 -30.495 -0.364 1.434 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -32.715 -0.400 2.587 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -32.384 1.225 1.942 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -33.504 0.139 1.086 1.00 0.00 H new ATOM 615 N GLU A 40 -32.568 -2.066 -0.441 1.00 0.00 N ATOM 616 CA GLU A 40 -32.837 -3.473 -0.858 1.00 0.00 C ATOM 617 C GLU A 40 -31.574 -4.093 -1.470 1.00 0.00 C ATOM 618 O GLU A 40 -31.476 -5.300 -1.601 1.00 0.00 O ATOM 619 CB GLU A 40 -33.956 -3.385 -1.897 1.00 0.00 C ATOM 620 CG GLU A 40 -35.240 -2.893 -1.225 1.00 0.00 C ATOM 621 CD GLU A 40 -36.414 -3.040 -2.195 1.00 0.00 C ATOM 622 OE1 GLU A 40 -36.862 -4.158 -2.386 1.00 0.00 O ATOM 623 OE2 GLU A 40 -36.844 -2.032 -2.731 1.00 0.00 O ATOM 0 H GLU A 40 -33.119 -1.355 -0.922 1.00 0.00 H new ATOM 0 HA GLU A 40 -33.124 -4.102 -0.015 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -33.669 -2.705 -2.699 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -34.122 -4.362 -2.352 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -35.431 -3.466 -0.318 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -35.130 -1.851 -0.926 1.00 0.00 H new ATOM 630 N PHE A 41 -30.609 -3.283 -1.850 1.00 0.00 N ATOM 631 CA PHE A 41 -29.366 -3.840 -2.451 1.00 0.00 C ATOM 632 C PHE A 41 -28.167 -3.637 -1.518 1.00 0.00 C ATOM 633 O PHE A 41 -27.363 -4.530 -1.328 1.00 0.00 O ATOM 634 CB PHE A 41 -29.179 -3.074 -3.761 1.00 0.00 C ATOM 635 CG PHE A 41 -28.312 -3.881 -4.696 1.00 0.00 C ATOM 636 CD1 PHE A 41 -28.846 -4.991 -5.361 1.00 0.00 C ATOM 637 CD2 PHE A 41 -26.974 -3.520 -4.896 1.00 0.00 C ATOM 638 CE1 PHE A 41 -28.042 -5.740 -6.228 1.00 0.00 C ATOM 639 CE2 PHE A 41 -26.170 -4.270 -5.762 1.00 0.00 C ATOM 640 CZ PHE A 41 -26.704 -5.380 -6.427 1.00 0.00 C ATOM 0 H PHE A 41 -30.635 -2.267 -1.768 1.00 0.00 H new ATOM 0 HA PHE A 41 -29.440 -4.915 -2.617 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -30.147 -2.880 -4.222 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -28.719 -2.105 -3.566 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -29.878 -5.269 -5.205 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -26.563 -2.664 -4.382 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -28.454 -6.595 -6.743 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -25.138 -3.992 -5.917 1.00 0.00 H new ATOM 0 HZ PHE A 41 -26.083 -5.959 -7.094 1.00 0.00 H new ATOM 650 N SER A 42 -28.048 -2.476 -0.931 1.00 0.00 N ATOM 651 CA SER A 42 -26.910 -2.206 0.005 1.00 0.00 C ATOM 652 C SER A 42 -26.908 -3.237 1.144 1.00 0.00 C ATOM 653 O SER A 42 -25.896 -3.472 1.777 1.00 0.00 O ATOM 654 CB SER A 42 -27.165 -0.798 0.552 1.00 0.00 C ATOM 655 OG SER A 42 -28.335 -0.811 1.359 1.00 0.00 O ATOM 0 H SER A 42 -28.693 -1.696 -1.059 1.00 0.00 H new ATOM 0 HA SER A 42 -25.942 -2.277 -0.491 1.00 0.00 H new ATOM 0 HB2 SER A 42 -26.309 -0.463 1.138 1.00 0.00 H new ATOM 0 HB3 SER A 42 -27.284 -0.092 -0.270 1.00 0.00 H new ATOM 0 HG SER A 42 -28.412 0.041 1.837 1.00 0.00 H new ATOM 661 N LYS A 43 -28.037 -3.853 1.402 1.00 0.00 N ATOM 662 CA LYS A 43 -28.116 -4.871 2.488 1.00 0.00 C ATOM 663 C LYS A 43 -27.722 -6.252 1.953 1.00 0.00 C ATOM 664 O LYS A 43 -27.257 -7.101 2.690 1.00 0.00 O ATOM 665 CB LYS A 43 -29.587 -4.867 2.911 1.00 0.00 C ATOM 666 CG LYS A 43 -29.763 -3.991 4.152 1.00 0.00 C ATOM 667 CD LYS A 43 -31.189 -4.141 4.685 1.00 0.00 C ATOM 668 CE LYS A 43 -31.335 -5.496 5.382 1.00 0.00 C ATOM 669 NZ LYS A 43 -32.778 -5.592 5.738 1.00 0.00 N ATOM 0 H LYS A 43 -28.911 -3.691 0.901 1.00 0.00 H new ATOM 0 HA LYS A 43 -27.443 -4.648 3.316 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -30.208 -4.492 2.098 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -29.918 -5.884 3.122 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -29.045 -4.280 4.919 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -29.564 -2.948 3.905 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -31.414 -3.335 5.383 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -31.904 -4.062 3.866 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -31.035 -6.312 4.725 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -30.705 -5.553 6.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -32.957 -6.496 6.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -33.033 -4.806 6.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -33.353 -5.541 4.873 1.00 0.00 H new ATOM 683 N LYS A 44 -27.917 -6.484 0.678 1.00 0.00 N ATOM 684 CA LYS A 44 -27.570 -7.812 0.089 1.00 0.00 C ATOM 685 C LYS A 44 -26.087 -7.866 -0.296 1.00 0.00 C ATOM 686 O LYS A 44 -25.433 -8.877 -0.120 1.00 0.00 O ATOM 687 CB LYS A 44 -28.448 -7.934 -1.157 1.00 0.00 C ATOM 688 CG LYS A 44 -28.590 -9.408 -1.541 1.00 0.00 C ATOM 689 CD LYS A 44 -27.407 -9.823 -2.418 1.00 0.00 C ATOM 690 CE LYS A 44 -27.773 -11.083 -3.206 1.00 0.00 C ATOM 691 NZ LYS A 44 -26.853 -11.082 -4.378 1.00 0.00 N ATOM 0 H LYS A 44 -28.303 -5.808 0.019 1.00 0.00 H new ATOM 0 HA LYS A 44 -27.739 -8.625 0.795 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -29.430 -7.501 -0.966 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -28.007 -7.374 -1.981 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -28.626 -10.027 -0.644 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -29.526 -9.567 -2.076 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -27.147 -9.016 -3.103 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -26.530 -10.010 -1.799 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -27.641 -11.980 -2.601 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -28.816 -11.062 -3.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -27.042 -11.917 -4.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -27.006 -10.220 -4.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -25.868 -11.109 -4.046 1.00 0.00 H new ATOM 705 N CYS A 45 -25.555 -6.791 -0.825 1.00 0.00 N ATOM 706 CA CYS A 45 -24.112 -6.786 -1.227 1.00 0.00 C ATOM 707 C CYS A 45 -23.218 -7.098 -0.018 1.00 0.00 C ATOM 708 O CYS A 45 -22.159 -7.681 -0.152 1.00 0.00 O ATOM 709 CB CYS A 45 -23.841 -5.371 -1.764 1.00 0.00 C ATOM 710 SG CYS A 45 -24.138 -4.140 -0.467 1.00 0.00 S ATOM 0 H CYS A 45 -26.055 -5.919 -0.996 1.00 0.00 H new ATOM 0 HA CYS A 45 -23.894 -7.545 -1.978 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -22.812 -5.299 -2.115 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -24.485 -5.170 -2.620 1.00 0.00 H new ATOM 0 HG CYS A 45 -25.030 -4.592 0.364 1.00 0.00 H new ATOM 716 N SER A 46 -23.646 -6.711 1.158 1.00 0.00 N ATOM 717 CA SER A 46 -22.831 -6.983 2.383 1.00 0.00 C ATOM 718 C SER A 46 -22.768 -8.489 2.647 1.00 0.00 C ATOM 719 O SER A 46 -21.788 -8.997 3.159 1.00 0.00 O ATOM 720 CB SER A 46 -23.560 -6.268 3.521 1.00 0.00 C ATOM 721 OG SER A 46 -24.864 -6.818 3.660 1.00 0.00 O ATOM 0 H SER A 46 -24.524 -6.219 1.323 1.00 0.00 H new ATOM 0 HA SER A 46 -21.804 -6.632 2.280 1.00 0.00 H new ATOM 0 HB2 SER A 46 -23.004 -6.380 4.452 1.00 0.00 H new ATOM 0 HB3 SER A 46 -23.623 -5.200 3.314 1.00 0.00 H new ATOM 0 HG SER A 46 -25.481 -6.352 3.058 1.00 0.00 H new ATOM 727 N GLU A 47 -23.807 -9.203 2.295 1.00 0.00 N ATOM 728 CA GLU A 47 -23.815 -10.682 2.520 1.00 0.00 C ATOM 729 C GLU A 47 -22.750 -11.349 1.645 1.00 0.00 C ATOM 730 O GLU A 47 -22.202 -12.377 1.996 1.00 0.00 O ATOM 731 CB GLU A 47 -25.214 -11.147 2.107 1.00 0.00 C ATOM 732 CG GLU A 47 -26.263 -10.460 2.984 1.00 0.00 C ATOM 733 CD GLU A 47 -27.454 -11.398 3.185 1.00 0.00 C ATOM 734 OE1 GLU A 47 -27.306 -12.364 3.916 1.00 0.00 O ATOM 735 OE2 GLU A 47 -28.495 -11.135 2.605 1.00 0.00 O ATOM 0 H GLU A 47 -24.650 -8.827 1.862 1.00 0.00 H new ATOM 0 HA GLU A 47 -23.593 -10.942 3.555 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -25.392 -10.911 1.058 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -25.293 -12.229 2.208 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -25.829 -10.194 3.948 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -26.592 -9.532 2.516 1.00 0.00 H new ATOM 742 N ARG A 48 -22.456 -10.768 0.511 1.00 0.00 N ATOM 743 CA ARG A 48 -21.427 -11.357 -0.397 1.00 0.00 C ATOM 744 C ARG A 48 -20.100 -10.610 -0.244 1.00 0.00 C ATOM 745 O ARG A 48 -19.035 -11.186 -0.369 1.00 0.00 O ATOM 746 CB ARG A 48 -21.988 -11.170 -1.806 1.00 0.00 C ATOM 747 CG ARG A 48 -21.368 -12.205 -2.746 1.00 0.00 C ATOM 748 CD ARG A 48 -22.282 -12.410 -3.956 1.00 0.00 C ATOM 749 NE ARG A 48 -23.341 -13.345 -3.483 1.00 0.00 N ATOM 750 CZ ARG A 48 -23.379 -14.569 -3.934 1.00 0.00 C ATOM 751 NH1 ARG A 48 -22.306 -15.310 -3.901 1.00 0.00 N ATOM 752 NH2 ARG A 48 -24.491 -15.051 -4.418 1.00 0.00 N ATOM 0 H ARG A 48 -22.886 -9.907 0.173 1.00 0.00 H new ATOM 0 HA ARG A 48 -21.230 -12.405 -0.174 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -23.073 -11.278 -1.794 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -21.772 -10.163 -2.164 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -20.384 -11.871 -3.073 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -21.225 -13.149 -2.221 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -22.710 -11.466 -4.292 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -21.733 -12.829 -4.799 1.00 0.00 H new ATOM 0 HE ARG A 48 -24.036 -13.029 -2.807 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -21.437 -14.933 -3.523 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -22.336 -16.267 -4.254 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -25.330 -14.471 -4.444 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -24.521 -16.008 -4.771 1.00 0.00 H new ATOM 766 N TRP A 49 -20.158 -9.330 0.027 1.00 0.00 N ATOM 767 CA TRP A 49 -18.902 -8.534 0.191 1.00 0.00 C ATOM 768 C TRP A 49 -18.119 -9.033 1.409 1.00 0.00 C ATOM 769 O TRP A 49 -16.902 -9.010 1.426 1.00 0.00 O ATOM 770 CB TRP A 49 -19.361 -7.090 0.405 1.00 0.00 C ATOM 771 CG TRP A 49 -18.169 -6.190 0.456 1.00 0.00 C ATOM 772 CD1 TRP A 49 -17.696 -5.590 1.572 1.00 0.00 C ATOM 773 CD2 TRP A 49 -17.294 -5.777 -0.633 1.00 0.00 C ATOM 774 NE1 TRP A 49 -16.585 -4.836 1.238 1.00 0.00 N ATOM 775 CE2 TRP A 49 -16.298 -4.919 -0.110 1.00 0.00 C ATOM 776 CE3 TRP A 49 -17.268 -6.062 -2.011 1.00 0.00 C ATOM 777 CZ2 TRP A 49 -15.311 -4.363 -0.924 1.00 0.00 C ATOM 778 CZ3 TRP A 49 -16.277 -5.503 -2.833 1.00 0.00 C ATOM 779 CH2 TRP A 49 -15.300 -4.655 -2.291 1.00 0.00 C ATOM 0 H TRP A 49 -21.022 -8.801 0.142 1.00 0.00 H new ATOM 0 HA TRP A 49 -18.244 -8.624 -0.673 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -20.026 -6.785 -0.403 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -19.929 -7.011 1.332 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -18.117 -5.684 2.562 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -16.044 -4.286 1.906 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -18.015 -6.715 -2.438 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -14.561 -3.712 -0.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -16.267 -5.727 -3.889 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -14.540 -4.228 -2.929 1.00 0.00 H new ATOM 790 N LYS A 50 -18.810 -9.482 2.425 1.00 0.00 N ATOM 791 CA LYS A 50 -18.114 -9.986 3.647 1.00 0.00 C ATOM 792 C LYS A 50 -17.578 -11.400 3.406 1.00 0.00 C ATOM 793 O LYS A 50 -16.596 -11.808 3.999 1.00 0.00 O ATOM 794 CB LYS A 50 -19.184 -9.997 4.741 1.00 0.00 C ATOM 795 CG LYS A 50 -19.166 -8.661 5.485 1.00 0.00 C ATOM 796 CD LYS A 50 -18.034 -8.664 6.515 1.00 0.00 C ATOM 797 CE LYS A 50 -18.246 -7.522 7.510 1.00 0.00 C ATOM 798 NZ LYS A 50 -17.576 -6.344 6.891 1.00 0.00 N ATOM 0 H LYS A 50 -19.829 -9.521 2.461 1.00 0.00 H new ATOM 0 HA LYS A 50 -17.261 -9.365 3.920 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -20.167 -10.168 4.302 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -19.000 -10.815 5.437 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -19.027 -7.842 4.779 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -20.123 -8.496 5.981 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -18.009 -9.619 7.041 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -17.072 -8.551 6.014 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -19.307 -7.332 7.673 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -17.811 -7.758 8.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -17.678 -5.519 7.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -16.566 -6.551 6.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -18.015 -6.138 5.971 1.00 0.00 H new ATOM 812 N THR A 51 -18.216 -12.148 2.542 1.00 0.00 N ATOM 813 CA THR A 51 -17.750 -13.538 2.256 1.00 0.00 C ATOM 814 C THR A 51 -16.611 -13.514 1.234 1.00 0.00 C ATOM 815 O THR A 51 -15.747 -14.370 1.236 1.00 0.00 O ATOM 816 CB THR A 51 -18.972 -14.256 1.682 1.00 0.00 C ATOM 817 OG1 THR A 51 -19.499 -13.500 0.600 1.00 0.00 O ATOM 818 CG2 THR A 51 -20.038 -14.404 2.770 1.00 0.00 C ATOM 0 H THR A 51 -19.042 -11.855 2.021 1.00 0.00 H new ATOM 0 HA THR A 51 -17.366 -14.036 3.146 1.00 0.00 H new ATOM 0 HB THR A 51 -18.679 -15.244 1.327 1.00 0.00 H new ATOM 0 HG1 THR A 51 -18.952 -12.698 0.464 1.00 0.00 H new ATOM 0 HG21 THR A 51 -20.908 -14.916 2.359 1.00 0.00 H new ATOM 0 HG22 THR A 51 -19.633 -14.984 3.599 1.00 0.00 H new ATOM 0 HG23 THR A 51 -20.333 -13.417 3.127 1.00 0.00 H new ATOM 826 N MET A 52 -16.607 -12.539 0.361 1.00 0.00 N ATOM 827 CA MET A 52 -15.523 -12.452 -0.668 1.00 0.00 C ATOM 828 C MET A 52 -14.163 -12.281 0.012 1.00 0.00 C ATOM 829 O MET A 52 -14.079 -11.868 1.154 1.00 0.00 O ATOM 830 CB MET A 52 -15.861 -11.218 -1.508 1.00 0.00 C ATOM 831 CG MET A 52 -17.010 -11.549 -2.463 1.00 0.00 C ATOM 832 SD MET A 52 -17.766 -10.014 -3.051 1.00 0.00 S ATOM 833 CE MET A 52 -16.441 -9.527 -4.182 1.00 0.00 C ATOM 0 H MET A 52 -17.307 -11.799 0.315 1.00 0.00 H new ATOM 0 HA MET A 52 -15.464 -13.353 -1.279 1.00 0.00 H new ATOM 0 HB2 MET A 52 -16.141 -10.389 -0.859 1.00 0.00 H new ATOM 0 HB3 MET A 52 -14.985 -10.899 -2.073 1.00 0.00 H new ATOM 0 HG2 MET A 52 -16.640 -12.131 -3.307 1.00 0.00 H new ATOM 0 HG3 MET A 52 -17.754 -12.162 -1.955 1.00 0.00 H new ATOM 0 HE1 MET A 52 -16.545 -8.471 -4.431 1.00 0.00 H new ATOM 0 HE2 MET A 52 -15.475 -9.694 -3.704 1.00 0.00 H new ATOM 0 HE3 MET A 52 -16.503 -10.123 -5.093 1.00 0.00 H new ATOM 843 N SER A 53 -13.099 -12.596 -0.682 1.00 0.00 N ATOM 844 CA SER A 53 -11.738 -12.457 -0.083 1.00 0.00 C ATOM 845 C SER A 53 -10.912 -11.438 -0.873 1.00 0.00 C ATOM 846 O SER A 53 -11.441 -10.673 -1.657 1.00 0.00 O ATOM 847 CB SER A 53 -11.116 -13.848 -0.188 1.00 0.00 C ATOM 848 OG SER A 53 -11.001 -14.208 -1.558 1.00 0.00 O ATOM 0 H SER A 53 -13.115 -12.944 -1.641 1.00 0.00 H new ATOM 0 HA SER A 53 -11.775 -12.103 0.947 1.00 0.00 H new ATOM 0 HB2 SER A 53 -10.135 -13.857 0.286 1.00 0.00 H new ATOM 0 HB3 SER A 53 -11.732 -14.575 0.341 1.00 0.00 H new ATOM 0 HG SER A 53 -10.601 -15.100 -1.629 1.00 0.00 H new ATOM 854 N ALA A 54 -9.620 -11.427 -0.670 1.00 0.00 N ATOM 855 CA ALA A 54 -8.746 -10.459 -1.404 1.00 0.00 C ATOM 856 C ALA A 54 -8.674 -10.818 -2.894 1.00 0.00 C ATOM 857 O ALA A 54 -8.343 -9.988 -3.720 1.00 0.00 O ATOM 858 CB ALA A 54 -7.367 -10.592 -0.757 1.00 0.00 C ATOM 0 H ALA A 54 -9.130 -12.048 -0.026 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.130 -9.441 -1.343 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.669 -9.910 -1.244 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.437 -10.344 0.302 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.010 -11.616 -0.868 1.00 0.00 H new ATOM 864 N LYS A 55 -8.982 -12.044 -3.246 1.00 0.00 N ATOM 865 CA LYS A 55 -8.929 -12.449 -4.684 1.00 0.00 C ATOM 866 C LYS A 55 -10.057 -11.766 -5.460 1.00 0.00 C ATOM 867 O LYS A 55 -9.932 -11.485 -6.638 1.00 0.00 O ATOM 868 CB LYS A 55 -9.120 -13.967 -4.686 1.00 0.00 C ATOM 869 CG LYS A 55 -7.869 -14.640 -4.118 1.00 0.00 C ATOM 870 CD LYS A 55 -8.062 -16.158 -4.117 1.00 0.00 C ATOM 871 CE LYS A 55 -6.984 -16.809 -3.249 1.00 0.00 C ATOM 872 NZ LYS A 55 -7.425 -18.222 -3.083 1.00 0.00 N ATOM 0 H LYS A 55 -9.267 -12.780 -2.599 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.991 -12.162 -5.158 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.992 -14.235 -4.090 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.306 -14.319 -5.700 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.997 -14.374 -4.715 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.681 -14.286 -3.104 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.052 -16.409 -3.736 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.006 -16.543 -5.135 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.006 -16.754 -3.727 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.896 -16.307 -2.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.735 -18.735 -2.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.356 -18.243 -2.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.493 -18.676 -4.016 1.00 0.00 H new ATOM 886 N GLU A 56 -11.155 -11.496 -4.804 1.00 0.00 N ATOM 887 CA GLU A 56 -12.301 -10.830 -5.487 1.00 0.00 C ATOM 888 C GLU A 56 -12.323 -9.339 -5.140 1.00 0.00 C ATOM 889 O GLU A 56 -12.592 -8.501 -5.981 1.00 0.00 O ATOM 890 CB GLU A 56 -13.545 -11.528 -4.939 1.00 0.00 C ATOM 891 CG GLU A 56 -13.737 -12.864 -5.656 1.00 0.00 C ATOM 892 CD GLU A 56 -15.157 -13.377 -5.411 1.00 0.00 C ATOM 893 OE1 GLU A 56 -15.413 -13.852 -4.316 1.00 0.00 O ATOM 894 OE2 GLU A 56 -15.965 -13.286 -6.321 1.00 0.00 O ATOM 0 H GLU A 56 -11.307 -11.710 -3.818 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.239 -10.903 -6.573 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.441 -11.690 -3.866 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -14.422 -10.897 -5.082 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.562 -12.743 -6.725 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.009 -13.590 -5.294 1.00 0.00 H new ATOM 901 N LYS A 57 -12.038 -9.008 -3.908 1.00 0.00 N ATOM 902 CA LYS A 57 -12.033 -7.571 -3.492 1.00 0.00 C ATOM 903 C LYS A 57 -10.880 -6.818 -4.168 1.00 0.00 C ATOM 904 O LYS A 57 -10.891 -5.603 -4.247 1.00 0.00 O ATOM 905 CB LYS A 57 -11.839 -7.593 -1.974 1.00 0.00 C ATOM 906 CG LYS A 57 -13.202 -7.708 -1.287 1.00 0.00 C ATOM 907 CD LYS A 57 -13.001 -7.878 0.220 1.00 0.00 C ATOM 908 CE LYS A 57 -14.313 -7.573 0.948 1.00 0.00 C ATOM 909 NZ LYS A 57 -14.187 -8.252 2.268 1.00 0.00 N ATOM 0 H LYS A 57 -11.808 -9.672 -3.169 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.953 -7.062 -3.779 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.205 -8.433 -1.690 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.331 -6.685 -1.648 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.798 -6.818 -1.487 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -13.753 -8.558 -1.689 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.678 -8.895 0.442 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.214 -7.210 0.570 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.457 -6.499 1.068 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -15.171 -7.949 0.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -15.070 -8.757 2.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.400 -8.931 2.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.003 -7.543 3.007 1.00 0.00 H new ATOM 923 N SER A 58 -9.884 -7.524 -4.651 1.00 0.00 N ATOM 924 CA SER A 58 -8.728 -6.843 -5.318 1.00 0.00 C ATOM 925 C SER A 58 -9.212 -6.008 -6.509 1.00 0.00 C ATOM 926 O SER A 58 -8.643 -4.980 -6.825 1.00 0.00 O ATOM 927 CB SER A 58 -7.815 -7.972 -5.797 1.00 0.00 C ATOM 928 OG SER A 58 -8.595 -8.956 -6.465 1.00 0.00 O ATOM 0 H SER A 58 -9.822 -8.541 -4.612 1.00 0.00 H new ATOM 0 HA SER A 58 -8.213 -6.162 -4.640 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.052 -7.578 -6.469 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.294 -8.418 -4.950 1.00 0.00 H new ATOM 0 HG SER A 58 -8.012 -9.681 -6.775 1.00 0.00 H new ATOM 934 N LYS A 59 -10.257 -6.444 -7.167 1.00 0.00 N ATOM 935 CA LYS A 59 -10.782 -5.678 -8.339 1.00 0.00 C ATOM 936 C LYS A 59 -11.481 -4.402 -7.864 1.00 0.00 C ATOM 937 O LYS A 59 -11.475 -3.392 -8.542 1.00 0.00 O ATOM 938 CB LYS A 59 -11.781 -6.615 -9.020 1.00 0.00 C ATOM 939 CG LYS A 59 -12.288 -5.969 -10.310 1.00 0.00 C ATOM 940 CD LYS A 59 -13.273 -6.913 -11.002 1.00 0.00 C ATOM 941 CE LYS A 59 -13.424 -6.509 -12.471 1.00 0.00 C ATOM 942 NZ LYS A 59 -14.168 -5.219 -12.438 1.00 0.00 N ATOM 0 H LYS A 59 -10.769 -7.297 -6.943 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.987 -5.373 -9.019 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.306 -7.571 -9.242 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -12.617 -6.821 -8.351 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.774 -5.019 -10.087 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.451 -5.750 -10.973 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.918 -7.941 -10.932 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -14.241 -6.875 -10.502 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.452 -6.393 -12.951 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.969 -7.266 -13.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.532 -5.004 -13.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -14.963 -5.294 -11.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.529 -4.458 -12.132 1.00 0.00 H new ATOM 956 N PHE A 60 -12.083 -4.444 -6.702 1.00 0.00 N ATOM 957 CA PHE A 60 -12.786 -3.238 -6.172 1.00 0.00 C ATOM 958 C PHE A 60 -11.829 -2.397 -5.324 1.00 0.00 C ATOM 959 O PHE A 60 -11.969 -1.192 -5.225 1.00 0.00 O ATOM 960 CB PHE A 60 -13.924 -3.789 -5.312 1.00 0.00 C ATOM 961 CG PHE A 60 -14.964 -4.427 -6.201 1.00 0.00 C ATOM 962 CD1 PHE A 60 -15.850 -3.624 -6.929 1.00 0.00 C ATOM 963 CD2 PHE A 60 -15.042 -5.822 -6.299 1.00 0.00 C ATOM 964 CE1 PHE A 60 -16.813 -4.216 -7.755 1.00 0.00 C ATOM 965 CE2 PHE A 60 -16.005 -6.413 -7.125 1.00 0.00 C ATOM 966 CZ PHE A 60 -16.891 -5.610 -7.853 1.00 0.00 C ATOM 0 H PHE A 60 -12.117 -5.264 -6.097 1.00 0.00 H new ATOM 0 HA PHE A 60 -13.154 -2.591 -6.968 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -13.537 -4.522 -4.604 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -14.373 -2.987 -4.727 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -15.791 -2.548 -6.853 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -14.359 -6.442 -5.737 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -17.496 -3.597 -8.317 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -16.065 -7.489 -7.201 1.00 0.00 H new ATOM 0 HZ PHE A 60 -17.634 -6.066 -8.490 1.00 0.00 H new ATOM 976 N GLU A 61 -10.857 -3.026 -4.713 1.00 0.00 N ATOM 977 CA GLU A 61 -9.882 -2.270 -3.867 1.00 0.00 C ATOM 978 C GLU A 61 -8.915 -1.481 -4.755 1.00 0.00 C ATOM 979 O GLU A 61 -8.415 -0.442 -4.369 1.00 0.00 O ATOM 980 CB GLU A 61 -9.129 -3.337 -3.071 1.00 0.00 C ATOM 981 CG GLU A 61 -8.436 -2.685 -1.872 1.00 0.00 C ATOM 982 CD GLU A 61 -7.950 -3.770 -0.910 1.00 0.00 C ATOM 983 OE1 GLU A 61 -6.856 -4.271 -1.118 1.00 0.00 O ATOM 984 OE2 GLU A 61 -8.678 -4.083 0.017 1.00 0.00 O ATOM 0 H GLU A 61 -10.696 -4.032 -4.763 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.376 -1.551 -3.214 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.821 -4.107 -2.730 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.393 -3.828 -3.707 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.594 -2.080 -2.210 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.126 -2.014 -1.361 1.00 0.00 H new ATOM 991 N ASP A 62 -8.655 -1.970 -5.941 1.00 0.00 N ATOM 992 CA ASP A 62 -7.722 -1.254 -6.863 1.00 0.00 C ATOM 993 C ASP A 62 -8.421 -0.041 -7.484 1.00 0.00 C ATOM 994 O ASP A 62 -7.791 0.946 -7.816 1.00 0.00 O ATOM 995 CB ASP A 62 -7.360 -2.276 -7.942 1.00 0.00 C ATOM 996 CG ASP A 62 -6.091 -1.827 -8.668 1.00 0.00 C ATOM 997 OD1 ASP A 62 -6.180 -0.901 -9.458 1.00 0.00 O ATOM 998 OD2 ASP A 62 -5.051 -2.415 -8.421 1.00 0.00 O ATOM 0 H ASP A 62 -9.049 -2.835 -6.311 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.838 -0.882 -6.346 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -7.206 -3.257 -7.492 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.181 -2.377 -8.652 1.00 0.00 H new ATOM 1003 N MET A 63 -9.719 -0.111 -7.640 1.00 0.00 N ATOM 1004 CA MET A 63 -10.470 1.037 -8.238 1.00 0.00 C ATOM 1005 C MET A 63 -10.475 2.223 -7.270 1.00 0.00 C ATOM 1006 O MET A 63 -10.424 3.367 -7.679 1.00 0.00 O ATOM 1007 CB MET A 63 -11.892 0.518 -8.459 1.00 0.00 C ATOM 1008 CG MET A 63 -11.894 -0.499 -9.601 1.00 0.00 C ATOM 1009 SD MET A 63 -11.793 0.372 -11.185 1.00 0.00 S ATOM 1010 CE MET A 63 -13.439 1.123 -11.135 1.00 0.00 C ATOM 0 H MET A 63 -10.292 -0.913 -7.379 1.00 0.00 H new ATOM 0 HA MET A 63 -10.019 1.384 -9.167 1.00 0.00 H new ATOM 0 HB2 MET A 63 -12.267 0.056 -7.546 1.00 0.00 H new ATOM 0 HB3 MET A 63 -12.560 1.346 -8.695 1.00 0.00 H new ATOM 0 HG2 MET A 63 -11.051 -1.182 -9.495 1.00 0.00 H new ATOM 0 HG3 MET A 63 -12.801 -1.103 -9.563 1.00 0.00 H new ATOM 0 HE1 MET A 63 -13.850 1.166 -12.144 1.00 0.00 H new ATOM 0 HE2 MET A 63 -14.093 0.524 -10.502 1.00 0.00 H new ATOM 0 HE3 MET A 63 -13.366 2.132 -10.729 1.00 0.00 H new ATOM 1020 N ALA A 64 -10.534 1.954 -5.990 1.00 0.00 N ATOM 1021 CA ALA A 64 -10.541 3.060 -4.986 1.00 0.00 C ATOM 1022 C ALA A 64 -9.125 3.612 -4.803 1.00 0.00 C ATOM 1023 O ALA A 64 -8.932 4.798 -4.610 1.00 0.00 O ATOM 1024 CB ALA A 64 -11.040 2.421 -3.689 1.00 0.00 C ATOM 0 H ALA A 64 -10.578 1.014 -5.597 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.172 3.894 -5.295 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.073 3.174 -2.902 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.040 2.015 -3.844 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.364 1.618 -3.395 1.00 0.00 H new ATOM 1030 N LYS A 65 -8.135 2.757 -4.864 1.00 0.00 N ATOM 1031 CA LYS A 65 -6.724 3.223 -4.697 1.00 0.00 C ATOM 1032 C LYS A 65 -6.314 4.095 -5.887 1.00 0.00 C ATOM 1033 O LYS A 65 -5.479 4.972 -5.763 1.00 0.00 O ATOM 1034 CB LYS A 65 -5.880 1.948 -4.652 1.00 0.00 C ATOM 1035 CG LYS A 65 -4.448 2.297 -4.243 1.00 0.00 C ATOM 1036 CD LYS A 65 -4.413 2.653 -2.755 1.00 0.00 C ATOM 1037 CE LYS A 65 -2.966 2.904 -2.323 1.00 0.00 C ATOM 1038 NZ LYS A 65 -2.690 4.316 -2.710 1.00 0.00 N ATOM 0 H LYS A 65 -8.243 1.755 -5.022 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.594 3.825 -3.798 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.309 1.240 -3.943 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.883 1.463 -5.628 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.786 1.454 -4.441 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.083 3.135 -4.837 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.018 3.540 -2.568 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.844 1.843 -2.166 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -2.843 2.757 -1.250 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.281 2.217 -2.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.746 4.591 -2.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.726 4.405 -3.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.406 4.939 -2.284 1.00 0.00 H new ATOM 1052 N SER A 66 -6.896 3.860 -7.036 1.00 0.00 N ATOM 1053 CA SER A 66 -6.544 4.674 -8.242 1.00 0.00 C ATOM 1054 C SER A 66 -6.872 6.149 -7.994 1.00 0.00 C ATOM 1055 O SER A 66 -6.070 7.024 -8.262 1.00 0.00 O ATOM 1056 CB SER A 66 -7.410 4.117 -9.373 1.00 0.00 C ATOM 1057 OG SER A 66 -7.060 4.760 -10.591 1.00 0.00 O ATOM 0 H SER A 66 -7.601 3.139 -7.192 1.00 0.00 H new ATOM 0 HA SER A 66 -5.482 4.616 -8.481 1.00 0.00 H new ATOM 0 HB2 SER A 66 -7.265 3.040 -9.462 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.465 4.279 -9.153 1.00 0.00 H new ATOM 0 HG SER A 66 -7.612 4.405 -11.319 1.00 0.00 H new ATOM 1063 N ASP A 67 -8.044 6.426 -7.481 1.00 0.00 N ATOM 1064 CA ASP A 67 -8.432 7.843 -7.208 1.00 0.00 C ATOM 1065 C ASP A 67 -7.761 8.333 -5.924 1.00 0.00 C ATOM 1066 O ASP A 67 -7.457 9.502 -5.778 1.00 0.00 O ATOM 1067 CB ASP A 67 -9.953 7.817 -7.045 1.00 0.00 C ATOM 1068 CG ASP A 67 -10.614 7.730 -8.421 1.00 0.00 C ATOM 1069 OD1 ASP A 67 -10.735 6.627 -8.929 1.00 0.00 O ATOM 1070 OD2 ASP A 67 -10.989 8.767 -8.943 1.00 0.00 O ATOM 0 H ASP A 67 -8.750 5.731 -7.239 1.00 0.00 H new ATOM 0 HA ASP A 67 -8.123 8.517 -8.006 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.249 6.965 -6.433 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -10.289 8.714 -6.525 1.00 0.00 H new ATOM 1075 N LYS A 68 -7.528 7.443 -4.992 1.00 0.00 N ATOM 1076 CA LYS A 68 -6.874 7.846 -3.709 1.00 0.00 C ATOM 1077 C LYS A 68 -5.454 8.353 -3.977 1.00 0.00 C ATOM 1078 O LYS A 68 -4.936 9.184 -3.255 1.00 0.00 O ATOM 1079 CB LYS A 68 -6.837 6.575 -2.857 1.00 0.00 C ATOM 1080 CG LYS A 68 -6.770 6.952 -1.376 1.00 0.00 C ATOM 1081 CD LYS A 68 -6.051 5.848 -0.600 1.00 0.00 C ATOM 1082 CE LYS A 68 -6.393 5.963 0.887 1.00 0.00 C ATOM 1083 NZ LYS A 68 -6.276 4.576 1.416 1.00 0.00 N ATOM 0 H LYS A 68 -7.763 6.453 -5.064 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.413 8.652 -3.210 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -7.723 5.970 -3.049 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -5.973 5.969 -3.128 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.243 7.899 -1.254 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.776 7.094 -0.980 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.349 4.870 -0.978 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -4.974 5.930 -0.744 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.709 6.640 1.398 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.399 6.357 1.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.496 4.572 2.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.944 3.956 0.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.306 4.230 1.271 1.00 0.00 H new ATOM 1097 N ALA A 69 -4.824 7.854 -5.011 1.00 0.00 N ATOM 1098 CA ALA A 69 -3.436 8.299 -5.335 1.00 0.00 C ATOM 1099 C ALA A 69 -3.474 9.570 -6.187 1.00 0.00 C ATOM 1100 O ALA A 69 -2.567 10.381 -6.146 1.00 0.00 O ATOM 1101 CB ALA A 69 -2.824 7.142 -6.125 1.00 0.00 C ATOM 0 H ALA A 69 -5.213 7.156 -5.645 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.858 8.533 -4.441 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.800 7.392 -6.402 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.825 6.242 -5.511 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.411 6.966 -7.027 1.00 0.00 H new ATOM 1107 N ARG A 70 -4.517 9.748 -6.959 1.00 0.00 N ATOM 1108 CA ARG A 70 -4.621 10.965 -7.819 1.00 0.00 C ATOM 1109 C ARG A 70 -5.450 12.047 -7.118 1.00 0.00 C ATOM 1110 O ARG A 70 -6.025 12.908 -7.759 1.00 0.00 O ATOM 1111 CB ARG A 70 -5.329 10.489 -9.087 1.00 0.00 C ATOM 1112 CG ARG A 70 -5.214 11.563 -10.171 1.00 0.00 C ATOM 1113 CD ARG A 70 -5.266 10.903 -11.550 1.00 0.00 C ATOM 1114 NE ARG A 70 -4.539 11.839 -12.452 1.00 0.00 N ATOM 1115 CZ ARG A 70 -4.931 11.994 -13.687 1.00 0.00 C ATOM 1116 NH1 ARG A 70 -5.990 12.709 -13.950 1.00 0.00 N ATOM 1117 NH2 ARG A 70 -4.266 11.432 -14.657 1.00 0.00 N ATOM 0 H ARG A 70 -5.302 9.101 -7.030 1.00 0.00 H new ATOM 0 HA ARG A 70 -3.646 11.403 -8.031 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.885 9.557 -9.436 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.378 10.283 -8.875 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.025 12.285 -10.071 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.281 12.114 -10.055 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.793 9.921 -11.536 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.295 10.757 -11.879 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.734 12.359 -12.104 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.511 13.147 -13.190 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.297 12.830 -14.915 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.439 10.871 -14.451 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.572 11.553 -15.622 1.00 0.00 H new ATOM 1131 N TYR A 71 -5.516 12.010 -5.811 1.00 0.00 N ATOM 1132 CA TYR A 71 -6.306 13.036 -5.066 1.00 0.00 C ATOM 1133 C TYR A 71 -5.368 13.971 -4.299 1.00 0.00 C ATOM 1134 O TYR A 71 -5.679 15.126 -4.074 1.00 0.00 O ATOM 1135 CB TYR A 71 -7.178 12.236 -4.096 1.00 0.00 C ATOM 1136 CG TYR A 71 -8.240 13.137 -3.514 1.00 0.00 C ATOM 1137 CD1 TYR A 71 -7.944 13.947 -2.411 1.00 0.00 C ATOM 1138 CD2 TYR A 71 -9.521 13.165 -4.079 1.00 0.00 C ATOM 1139 CE1 TYR A 71 -8.929 14.783 -1.872 1.00 0.00 C ATOM 1140 CE2 TYR A 71 -10.506 14.002 -3.539 1.00 0.00 C ATOM 1141 CZ TYR A 71 -10.209 14.810 -2.436 1.00 0.00 C ATOM 1142 OH TYR A 71 -11.180 15.635 -1.905 1.00 0.00 O ATOM 0 H TYR A 71 -5.056 11.312 -5.227 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.903 13.661 -5.730 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.642 11.397 -4.615 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -6.564 11.818 -3.299 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.956 13.927 -1.976 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -9.749 12.542 -4.931 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -8.701 15.407 -1.021 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -11.494 14.024 -3.974 1.00 0.00 H new ATOM 0 HH TYR A 71 -12.011 15.533 -2.415 1.00 0.00 H new