USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 527 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 21 THR OG1 : rot 86:sc= 0.421! USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 91:sc= 0.864 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -79:sc= 0.0219! USER MOD Single : A 73 LYS NZ :NH3+ 158:sc= -0.0195 (180deg=-0.761) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -0.234 X(o=-0.23,f=0) USER MOD Single : A 95 LYS NZ :NH3+ -149:sc= -0.0562 (180deg=-0.456) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 100:sc= 0.265 USER MOD Single : A 99 GLN : amide:sc= -0.225 K(o=-0.22,f=-2.1!) USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 SER OG : rot -55:sc= 0.85 USER MOD Single : A 107 LYS NZ :NH3+ 161:sc= -0.126 (180deg=-0.828) USER MOD Single : A 109 THR OG1 : rot 180:sc= -0.939 USER MOD Single : A 111 HIS :FLIP no HD1:sc= -0.973 F(o=-2.2!,f=-0.97) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 173 N GLU A 12 -33.055 12.617 9.083 1.00 0.00 N ATOM 174 CA GLU A 12 -32.038 12.040 8.211 1.00 0.00 C ATOM 175 C GLU A 12 -32.006 12.755 6.863 1.00 0.00 C ATOM 176 O GLU A 12 -30.939 12.951 6.283 1.00 0.00 O ATOM 177 CB GLU A 12 -32.321 10.552 7.994 1.00 0.00 C ATOM 178 CG GLU A 12 -31.464 10.032 6.838 1.00 0.00 C ATOM 179 CD GLU A 12 -31.285 8.523 6.961 1.00 0.00 C ATOM 180 OE1 GLU A 12 -30.568 8.101 7.854 1.00 0.00 O ATOM 181 OE2 GLU A 12 -31.867 7.810 6.160 1.00 0.00 O ATOM 0 HA GLU A 12 -31.068 12.162 8.692 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -32.101 9.993 8.904 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -33.378 10.400 7.774 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -31.937 10.274 5.886 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -30.491 10.524 6.845 1.00 0.00 H new ATOM 188 N ASP A 13 -33.179 13.137 6.370 1.00 0.00 N ATOM 189 CA ASP A 13 -33.274 13.825 5.085 1.00 0.00 C ATOM 190 C ASP A 13 -32.675 15.226 5.173 1.00 0.00 C ATOM 191 O ASP A 13 -32.028 15.694 4.236 1.00 0.00 O ATOM 192 CB ASP A 13 -34.737 13.923 4.651 1.00 0.00 C ATOM 193 CG ASP A 13 -35.157 12.640 3.940 1.00 0.00 C ATOM 194 OD1 ASP A 13 -35.270 11.626 4.609 1.00 0.00 O ATOM 195 OD2 ASP A 13 -35.360 12.691 2.738 1.00 0.00 O ATOM 0 H ASP A 13 -34.073 12.984 6.836 1.00 0.00 H new ATOM 0 HA ASP A 13 -32.712 13.250 4.349 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -35.372 14.091 5.520 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -34.872 14.777 3.987 1.00 0.00 H new ATOM 200 N VAL A 14 -32.894 15.888 6.303 1.00 0.00 N ATOM 201 CA VAL A 14 -32.369 17.233 6.502 1.00 0.00 C ATOM 202 C VAL A 14 -30.877 17.166 6.787 1.00 0.00 C ATOM 203 O VAL A 14 -30.087 17.903 6.196 1.00 0.00 O ATOM 204 CB VAL A 14 -33.092 17.913 7.666 1.00 0.00 C ATOM 205 CG1 VAL A 14 -32.543 19.329 7.855 1.00 0.00 C ATOM 206 CG2 VAL A 14 -34.589 17.987 7.357 1.00 0.00 C ATOM 0 H VAL A 14 -33.427 15.519 7.090 1.00 0.00 H new ATOM 0 HA VAL A 14 -32.535 17.816 5.596 1.00 0.00 H new ATOM 0 HB VAL A 14 -32.932 17.338 8.578 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -33.059 19.812 8.685 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -31.476 19.280 8.071 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -32.702 19.906 6.944 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -35.108 18.471 8.184 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -34.744 18.563 6.445 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -34.983 16.980 7.221 1.00 0.00 H new ATOM 216 N PHE A 15 -30.496 16.260 7.679 1.00 0.00 N ATOM 217 CA PHE A 15 -29.093 16.086 8.015 1.00 0.00 C ATOM 218 C PHE A 15 -28.313 15.760 6.750 1.00 0.00 C ATOM 219 O PHE A 15 -27.155 16.148 6.601 1.00 0.00 O ATOM 220 CB PHE A 15 -28.926 14.957 9.035 1.00 0.00 C ATOM 221 CG PHE A 15 -28.715 15.548 10.409 1.00 0.00 C ATOM 222 CD1 PHE A 15 -29.499 16.627 10.834 1.00 0.00 C ATOM 223 CD2 PHE A 15 -27.736 15.017 11.258 1.00 0.00 C ATOM 224 CE1 PHE A 15 -29.304 17.176 12.107 1.00 0.00 C ATOM 225 CE2 PHE A 15 -27.540 15.566 12.531 1.00 0.00 C ATOM 226 CZ PHE A 15 -28.325 16.646 12.956 1.00 0.00 C ATOM 0 H PHE A 15 -31.134 15.640 8.178 1.00 0.00 H new ATOM 0 HA PHE A 15 -28.712 17.008 8.454 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -29.809 14.318 9.034 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -28.077 14.329 8.763 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -30.255 17.036 10.180 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -27.132 14.184 10.931 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -29.909 18.009 12.434 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -26.784 15.157 13.185 1.00 0.00 H new ATOM 0 HZ PHE A 15 -28.175 17.069 13.938 1.00 0.00 H new ATOM 236 N ARG A 16 -28.969 15.051 5.833 1.00 0.00 N ATOM 237 CA ARG A 16 -28.334 14.686 4.571 1.00 0.00 C ATOM 238 C ARG A 16 -28.007 15.944 3.775 1.00 0.00 C ATOM 239 O ARG A 16 -26.907 16.089 3.243 1.00 0.00 O ATOM 240 CB ARG A 16 -29.264 13.788 3.749 1.00 0.00 C ATOM 241 CG ARG A 16 -28.537 12.493 3.381 1.00 0.00 C ATOM 242 CD ARG A 16 -29.545 11.478 2.839 1.00 0.00 C ATOM 243 NE ARG A 16 -28.850 10.378 2.182 1.00 0.00 N ATOM 244 CZ ARG A 16 -28.592 10.409 0.879 1.00 0.00 C ATOM 245 NH1 ARG A 16 -28.967 11.434 0.164 1.00 0.00 N ATOM 246 NH2 ARG A 16 -27.967 9.413 0.313 1.00 0.00 N ATOM 0 H ARG A 16 -29.929 14.722 5.939 1.00 0.00 H new ATOM 0 HA ARG A 16 -27.414 14.142 4.786 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -30.165 13.561 4.320 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -29.582 14.308 2.845 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -27.770 12.694 2.633 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -28.030 12.086 4.256 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -30.159 11.094 3.654 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -30.219 11.965 2.134 1.00 0.00 H new ATOM 0 HE ARG A 16 -28.557 9.571 2.732 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -29.458 12.211 0.605 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -28.769 11.458 -0.836 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -27.676 8.610 0.871 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -27.769 9.437 -0.687 1.00 0.00 H new ATOM 260 N ARG A 17 -28.974 16.852 3.707 1.00 0.00 N ATOM 261 CA ARG A 17 -28.787 18.102 2.984 1.00 0.00 C ATOM 262 C ARG A 17 -27.847 19.020 3.755 1.00 0.00 C ATOM 263 O ARG A 17 -27.028 19.724 3.166 1.00 0.00 O ATOM 264 CB ARG A 17 -30.137 18.794 2.787 1.00 0.00 C ATOM 265 CG ARG A 17 -29.951 20.045 1.925 1.00 0.00 C ATOM 266 CD ARG A 17 -31.319 20.565 1.476 1.00 0.00 C ATOM 267 NE ARG A 17 -31.769 21.630 2.364 1.00 0.00 N ATOM 268 CZ ARG A 17 -33.064 21.863 2.556 1.00 0.00 C ATOM 269 NH1 ARG A 17 -33.956 21.127 1.954 1.00 0.00 N ATOM 270 NH2 ARG A 17 -33.443 22.826 3.351 1.00 0.00 N ATOM 0 H ARG A 17 -29.891 16.746 4.142 1.00 0.00 H new ATOM 0 HA ARG A 17 -28.348 17.883 2.011 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -30.840 18.112 2.309 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -30.562 19.066 3.753 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -29.426 20.814 2.491 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -29.336 19.812 1.056 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -31.257 20.936 0.453 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -32.044 19.751 1.476 1.00 0.00 H new ATOM 0 HE ARG A 17 -31.079 22.206 2.846 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -33.661 20.372 1.335 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -34.949 21.306 2.102 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -32.746 23.400 3.825 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -34.436 23.005 3.498 1.00 0.00 H new ATOM 284 N ILE A 18 -27.969 19.005 5.078 1.00 0.00 N ATOM 285 CA ILE A 18 -27.124 19.839 5.922 1.00 0.00 C ATOM 286 C ILE A 18 -25.693 19.304 5.939 1.00 0.00 C ATOM 287 O ILE A 18 -24.738 20.068 6.022 1.00 0.00 O ATOM 288 CB ILE A 18 -27.695 19.885 7.347 1.00 0.00 C ATOM 289 CG1 ILE A 18 -27.695 21.333 7.844 1.00 0.00 C ATOM 290 CG2 ILE A 18 -26.851 19.022 8.291 1.00 0.00 C ATOM 291 CD1 ILE A 18 -28.966 22.035 7.364 1.00 0.00 C ATOM 0 H ILE A 18 -28.640 18.428 5.585 1.00 0.00 H new ATOM 0 HA ILE A 18 -27.107 20.850 5.515 1.00 0.00 H new ATOM 0 HB ILE A 18 -28.713 19.496 7.333 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -27.643 21.355 8.933 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -26.814 21.857 7.472 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -27.270 19.066 9.296 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -26.855 17.990 7.941 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -25.827 19.396 8.308 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -28.968 23.066 7.717 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -28.998 22.024 6.275 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -29.840 21.515 7.758 1.00 0.00 H new ATOM 303 N PHE A 19 -25.564 17.986 5.854 1.00 0.00 N ATOM 304 CA PHE A 19 -24.257 17.341 5.856 1.00 0.00 C ATOM 305 C PHE A 19 -23.539 17.619 4.545 1.00 0.00 C ATOM 306 O PHE A 19 -22.406 18.099 4.535 1.00 0.00 O ATOM 307 CB PHE A 19 -24.421 15.831 6.042 1.00 0.00 C ATOM 308 CG PHE A 19 -23.073 15.160 5.936 1.00 0.00 C ATOM 309 CD1 PHE A 19 -22.522 14.890 4.678 1.00 0.00 C ATOM 310 CD2 PHE A 19 -22.374 14.808 7.097 1.00 0.00 C ATOM 311 CE1 PHE A 19 -21.272 14.266 4.581 1.00 0.00 C ATOM 312 CE2 PHE A 19 -21.125 14.185 7.000 1.00 0.00 C ATOM 313 CZ PHE A 19 -20.574 13.914 5.742 1.00 0.00 C ATOM 0 H PHE A 19 -26.351 17.341 5.783 1.00 0.00 H new ATOM 0 HA PHE A 19 -23.667 17.742 6.680 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -24.868 15.620 7.013 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -25.098 15.432 5.286 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -23.061 15.163 3.782 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -22.799 15.017 8.068 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -20.847 14.056 3.611 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -20.586 13.913 7.896 1.00 0.00 H new ATOM 0 HZ PHE A 19 -19.610 13.433 5.667 1.00 0.00 H new ATOM 323 N ILE A 20 -24.218 17.340 3.438 1.00 0.00 N ATOM 324 CA ILE A 20 -23.639 17.594 2.130 1.00 0.00 C ATOM 325 C ILE A 20 -23.404 19.088 1.986 1.00 0.00 C ATOM 326 O ILE A 20 -22.384 19.527 1.456 1.00 0.00 O ATOM 327 CB ILE A 20 -24.584 17.110 1.030 1.00 0.00 C ATOM 328 CG1 ILE A 20 -24.643 15.580 1.043 1.00 0.00 C ATOM 329 CG2 ILE A 20 -24.071 17.588 -0.329 1.00 0.00 C ATOM 330 CD1 ILE A 20 -25.800 15.107 0.160 1.00 0.00 C ATOM 0 H ILE A 20 -25.157 16.943 3.422 1.00 0.00 H new ATOM 0 HA ILE A 20 -22.696 17.056 2.036 1.00 0.00 H new ATOM 0 HB ILE A 20 -25.581 17.513 1.205 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -23.702 15.166 0.681 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -24.778 15.219 2.063 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -24.744 17.243 -1.114 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -24.029 18.677 -0.339 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -23.074 17.185 -0.504 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -25.843 14.018 0.169 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -26.738 15.510 0.542 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -25.645 15.456 -0.861 1.00 0.00 H new ATOM 342 N THR A 21 -24.361 19.859 2.488 1.00 0.00 N ATOM 343 CA THR A 21 -24.270 21.309 2.449 1.00 0.00 C ATOM 344 C THR A 21 -23.263 21.795 3.487 1.00 0.00 C ATOM 345 O THR A 21 -22.514 22.741 3.241 1.00 0.00 O ATOM 346 CB THR A 21 -25.641 21.932 2.723 1.00 0.00 C ATOM 347 OG1 THR A 21 -26.590 21.408 1.803 1.00 0.00 O ATOM 348 CG2 THR A 21 -25.555 23.450 2.558 1.00 0.00 C ATOM 0 H THR A 21 -25.209 19.501 2.927 1.00 0.00 H new ATOM 0 HA THR A 21 -23.936 21.614 1.457 1.00 0.00 H new ATOM 0 HB THR A 21 -25.951 21.695 3.741 1.00 0.00 H new ATOM 0 HG1 THR A 21 -26.958 20.570 2.154 1.00 0.00 H new ATOM 0 HG21 THR A 21 -26.532 23.893 2.753 1.00 0.00 H new ATOM 0 HG22 THR A 21 -24.827 23.852 3.262 1.00 0.00 H new ATOM 0 HG23 THR A 21 -25.245 23.688 1.540 1.00 0.00 H new ATOM 356 N TYR A 22 -23.246 21.141 4.651 1.00 0.00 N ATOM 357 CA TYR A 22 -22.313 21.529 5.709 1.00 0.00 C ATOM 358 C TYR A 22 -20.883 21.300 5.242 1.00 0.00 C ATOM 359 O TYR A 22 -20.003 22.131 5.464 1.00 0.00 O ATOM 360 CB TYR A 22 -22.574 20.724 6.985 1.00 0.00 C ATOM 361 CG TYR A 22 -21.405 20.877 7.930 1.00 0.00 C ATOM 362 CD1 TYR A 22 -20.225 20.157 7.707 1.00 0.00 C ATOM 363 CD2 TYR A 22 -21.504 21.735 9.031 1.00 0.00 C ATOM 364 CE1 TYR A 22 -19.143 20.298 8.584 1.00 0.00 C ATOM 365 CE2 TYR A 22 -20.422 21.876 9.908 1.00 0.00 C ATOM 366 CZ TYR A 22 -19.242 21.156 9.685 1.00 0.00 C ATOM 367 OH TYR A 22 -18.175 21.295 10.550 1.00 0.00 O ATOM 0 H TYR A 22 -23.855 20.356 4.882 1.00 0.00 H new ATOM 0 HA TYR A 22 -22.461 22.586 5.930 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -23.490 21.070 7.464 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -22.721 19.672 6.740 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -20.150 19.493 6.859 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -22.415 22.288 9.204 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -18.232 19.745 8.411 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -20.497 22.540 10.756 1.00 0.00 H new ATOM 0 HH TYR A 22 -18.409 21.929 11.259 1.00 0.00 H new ATOM 377 N MET A 23 -20.668 20.172 4.577 1.00 0.00 N ATOM 378 CA MET A 23 -19.349 19.843 4.058 1.00 0.00 C ATOM 379 C MET A 23 -19.009 20.777 2.905 1.00 0.00 C ATOM 380 O MET A 23 -17.839 21.037 2.622 1.00 0.00 O ATOM 381 CB MET A 23 -19.321 18.393 3.568 1.00 0.00 C ATOM 382 CG MET A 23 -19.061 17.456 4.748 1.00 0.00 C ATOM 383 SD MET A 23 -17.306 17.508 5.186 1.00 0.00 S ATOM 384 CE MET A 23 -16.777 16.116 4.158 1.00 0.00 C ATOM 0 H MET A 23 -21.386 19.474 4.386 1.00 0.00 H new ATOM 0 HA MET A 23 -18.614 19.962 4.854 1.00 0.00 H new ATOM 0 HB2 MET A 23 -20.269 18.141 3.093 1.00 0.00 H new ATOM 0 HB3 MET A 23 -18.544 18.269 2.814 1.00 0.00 H new ATOM 0 HG2 MET A 23 -19.669 17.753 5.603 1.00 0.00 H new ATOM 0 HG3 MET A 23 -19.352 16.438 4.489 1.00 0.00 H new ATOM 0 HE1 MET A 23 -15.704 15.965 4.275 1.00 0.00 H new ATOM 0 HE2 MET A 23 -17.306 15.214 4.466 1.00 0.00 H new ATOM 0 HE3 MET A 23 -17.002 16.329 3.113 1.00 0.00 H new ATOM 394 N ASP A 24 -20.048 21.274 2.237 1.00 0.00 N ATOM 395 CA ASP A 24 -19.857 22.176 1.105 1.00 0.00 C ATOM 396 C ASP A 24 -19.459 23.572 1.580 1.00 0.00 C ATOM 397 O ASP A 24 -18.516 24.169 1.059 1.00 0.00 O ATOM 398 CB ASP A 24 -21.148 22.264 0.287 1.00 0.00 C ATOM 399 CG ASP A 24 -20.899 23.050 -0.996 1.00 0.00 C ATOM 400 OD1 ASP A 24 -19.964 22.711 -1.702 1.00 0.00 O ATOM 401 OD2 ASP A 24 -21.648 23.977 -1.254 1.00 0.00 O ATOM 0 H ASP A 24 -21.023 21.069 2.458 1.00 0.00 H new ATOM 0 HA ASP A 24 -19.054 21.778 0.484 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -21.505 21.263 0.046 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -21.928 22.748 0.874 1.00 0.00 H new ATOM 826 N LEU A 51 7.837 14.497 -1.744 1.00 0.00 N ATOM 827 CA LEU A 51 6.627 14.108 -1.027 1.00 0.00 C ATOM 828 C LEU A 51 5.669 13.366 -1.953 1.00 0.00 C ATOM 829 O LEU A 51 4.981 12.435 -1.535 1.00 0.00 O ATOM 830 CB LEU A 51 5.936 15.352 -0.461 1.00 0.00 C ATOM 831 CG LEU A 51 5.194 14.987 0.826 1.00 0.00 C ATOM 832 CD1 LEU A 51 6.021 15.432 2.034 1.00 0.00 C ATOM 833 CD2 LEU A 51 3.837 15.696 0.850 1.00 0.00 C ATOM 0 HA LEU A 51 6.908 13.444 -0.210 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.673 16.130 -0.260 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.237 15.757 -1.193 1.00 0.00 H new ATOM 0 HG LEU A 51 5.043 13.908 0.865 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.493 15.172 2.952 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.988 14.930 2.017 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.171 16.511 1.995 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.307 15.437 1.767 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.989 16.775 0.812 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.247 15.382 -0.011 1.00 0.00 H new ATOM 845 N TYR A 52 5.630 13.786 -3.213 1.00 0.00 N ATOM 846 CA TYR A 52 4.752 13.158 -4.195 1.00 0.00 C ATOM 847 C TYR A 52 5.084 11.676 -4.348 1.00 0.00 C ATOM 848 O TYR A 52 4.189 10.842 -4.490 1.00 0.00 O ATOM 849 CB TYR A 52 4.904 13.856 -5.547 1.00 0.00 C ATOM 850 CG TYR A 52 3.883 13.310 -6.517 1.00 0.00 C ATOM 851 CD1 TYR A 52 2.608 13.884 -6.589 1.00 0.00 C ATOM 852 CD2 TYR A 52 4.212 12.231 -7.346 1.00 0.00 C ATOM 853 CE1 TYR A 52 1.662 13.379 -7.490 1.00 0.00 C ATOM 854 CE2 TYR A 52 3.266 11.726 -8.247 1.00 0.00 C ATOM 855 CZ TYR A 52 1.992 12.300 -8.319 1.00 0.00 C ATOM 856 OH TYR A 52 1.060 11.804 -9.208 1.00 0.00 O ATOM 0 H TYR A 52 6.193 14.555 -3.578 1.00 0.00 H new ATOM 0 HA TYR A 52 3.724 13.252 -3.846 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.770 14.931 -5.429 1.00 0.00 H new ATOM 0 HB3 TYR A 52 5.910 13.701 -5.937 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.354 14.716 -5.950 1.00 0.00 H new ATOM 0 HD2 TYR A 52 5.195 11.788 -7.291 1.00 0.00 H new ATOM 0 HE1 TYR A 52 0.678 13.822 -7.545 1.00 0.00 H new ATOM 0 HE2 TYR A 52 3.520 10.893 -8.886 1.00 0.00 H new ATOM 0 HH TYR A 52 1.450 11.057 -9.708 1.00 0.00 H new ATOM 866 N LEU A 53 6.374 11.356 -4.324 1.00 0.00 N ATOM 867 CA LEU A 53 6.811 9.971 -4.468 1.00 0.00 C ATOM 868 C LEU A 53 6.465 9.159 -3.222 1.00 0.00 C ATOM 869 O LEU A 53 6.099 7.987 -3.317 1.00 0.00 O ATOM 870 CB LEU A 53 8.323 9.923 -4.710 1.00 0.00 C ATOM 871 CG LEU A 53 8.610 9.223 -6.039 1.00 0.00 C ATOM 872 CD1 LEU A 53 8.244 10.154 -7.196 1.00 0.00 C ATOM 873 CD2 LEU A 53 10.097 8.873 -6.120 1.00 0.00 C ATOM 0 H LEU A 53 7.130 12.031 -4.207 1.00 0.00 H new ATOM 0 HA LEU A 53 6.291 9.536 -5.321 1.00 0.00 H new ATOM 0 HB2 LEU A 53 8.731 10.934 -4.725 1.00 0.00 H new ATOM 0 HB3 LEU A 53 8.815 9.392 -3.895 1.00 0.00 H new ATOM 0 HG LEU A 53 8.017 8.311 -6.104 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.449 9.655 -8.143 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.185 10.405 -7.140 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.837 11.066 -7.131 1.00 0.00 H new ATOM 0 HD21 LEU A 53 10.302 8.374 -7.067 1.00 0.00 H new ATOM 0 HD22 LEU A 53 10.690 9.785 -6.055 1.00 0.00 H new ATOM 0 HD23 LEU A 53 10.360 8.210 -5.296 1.00 0.00 H new ATOM 885 N MET A 54 6.584 9.787 -2.057 1.00 0.00 N ATOM 886 CA MET A 54 6.281 9.107 -0.802 1.00 0.00 C ATOM 887 C MET A 54 4.881 8.501 -0.842 1.00 0.00 C ATOM 888 O MET A 54 4.681 7.347 -0.463 1.00 0.00 O ATOM 889 CB MET A 54 6.377 10.093 0.364 1.00 0.00 C ATOM 890 CG MET A 54 6.255 9.333 1.687 1.00 0.00 C ATOM 891 SD MET A 54 7.864 9.301 2.515 1.00 0.00 S ATOM 892 CE MET A 54 7.267 8.839 4.160 1.00 0.00 C ATOM 0 H MET A 54 6.885 10.756 -1.955 1.00 0.00 H new ATOM 0 HA MET A 54 7.007 8.306 -0.663 1.00 0.00 H new ATOM 0 HB2 MET A 54 7.327 10.627 0.325 1.00 0.00 H new ATOM 0 HB3 MET A 54 5.588 10.841 0.288 1.00 0.00 H new ATOM 0 HG2 MET A 54 5.514 9.812 2.327 1.00 0.00 H new ATOM 0 HG3 MET A 54 5.908 8.316 1.504 1.00 0.00 H new ATOM 0 HE1 MET A 54 8.111 8.761 4.845 1.00 0.00 H new ATOM 0 HE2 MET A 54 6.574 9.599 4.522 1.00 0.00 H new ATOM 0 HE3 MET A 54 6.755 7.878 4.105 1.00 0.00 H new ATOM 902 N VAL A 55 3.916 9.290 -1.302 1.00 0.00 N ATOM 903 CA VAL A 55 2.535 8.826 -1.386 1.00 0.00 C ATOM 904 C VAL A 55 2.320 7.995 -2.648 1.00 0.00 C ATOM 905 O VAL A 55 1.328 7.276 -2.768 1.00 0.00 O ATOM 906 CB VAL A 55 1.586 10.024 -1.397 1.00 0.00 C ATOM 907 CG1 VAL A 55 1.546 10.658 -0.005 1.00 0.00 C ATOM 908 CG2 VAL A 55 2.085 11.056 -2.411 1.00 0.00 C ATOM 0 H VAL A 55 4.062 10.248 -1.621 1.00 0.00 H new ATOM 0 HA VAL A 55 2.328 8.202 -0.517 1.00 0.00 H new ATOM 0 HB VAL A 55 0.585 9.693 -1.674 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.869 11.512 -0.014 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.194 9.923 0.719 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.546 10.991 0.272 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.410 11.912 -2.421 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.086 11.386 -2.132 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.115 10.606 -3.403 1.00 0.00 H new ATOM 918 N MET A 56 3.254 8.101 -3.587 1.00 0.00 N ATOM 919 CA MET A 56 3.155 7.356 -4.837 1.00 0.00 C ATOM 920 C MET A 56 3.247 5.855 -4.577 1.00 0.00 C ATOM 921 O MET A 56 2.263 5.128 -4.717 1.00 0.00 O ATOM 922 CB MET A 56 4.279 7.783 -5.785 1.00 0.00 C ATOM 923 CG MET A 56 4.152 7.033 -7.113 1.00 0.00 C ATOM 924 SD MET A 56 5.737 7.085 -7.985 1.00 0.00 S ATOM 925 CE MET A 56 5.113 6.637 -9.623 1.00 0.00 C ATOM 0 H MET A 56 4.082 8.691 -3.508 1.00 0.00 H new ATOM 0 HA MET A 56 2.190 7.573 -5.294 1.00 0.00 H new ATOM 0 HB2 MET A 56 4.232 8.858 -5.958 1.00 0.00 H new ATOM 0 HB3 MET A 56 5.248 7.576 -5.331 1.00 0.00 H new ATOM 0 HG2 MET A 56 3.857 5.999 -6.933 1.00 0.00 H new ATOM 0 HG3 MET A 56 3.372 7.485 -7.726 1.00 0.00 H new ATOM 0 HE1 MET A 56 5.940 6.609 -10.332 1.00 0.00 H new ATOM 0 HE2 MET A 56 4.642 5.655 -9.577 1.00 0.00 H new ATOM 0 HE3 MET A 56 4.381 7.376 -9.948 1.00 0.00 H new ATOM 935 N ILE A 57 4.437 5.398 -4.203 1.00 0.00 N ATOM 936 CA ILE A 57 4.654 3.982 -3.930 1.00 0.00 C ATOM 937 C ILE A 57 3.941 3.557 -2.649 1.00 0.00 C ATOM 938 O ILE A 57 3.414 2.448 -2.560 1.00 0.00 O ATOM 939 CB ILE A 57 6.152 3.705 -3.796 1.00 0.00 C ATOM 940 CG1 ILE A 57 6.388 2.193 -3.746 1.00 0.00 C ATOM 941 CG2 ILE A 57 6.676 4.346 -2.510 1.00 0.00 C ATOM 942 CD1 ILE A 57 6.190 1.597 -5.142 1.00 0.00 C ATOM 0 H ILE A 57 5.263 5.984 -4.082 1.00 0.00 H new ATOM 0 HA ILE A 57 4.245 3.407 -4.761 1.00 0.00 H new ATOM 0 HB ILE A 57 6.678 4.127 -4.652 1.00 0.00 H new ATOM 0 HG12 ILE A 57 7.397 1.984 -3.390 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.698 1.730 -3.040 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.744 4.149 -2.414 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.507 5.422 -2.545 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.151 3.924 -1.653 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.358 0.521 -5.105 1.00 0.00 H new ATOM 0 HD12 ILE A 57 5.173 1.794 -5.481 1.00 0.00 H new ATOM 0 HD13 ILE A 57 6.898 2.051 -5.835 1.00 0.00 H new ATOM 954 N GLY A 58 3.935 4.441 -1.658 1.00 0.00 N ATOM 955 CA GLY A 58 3.292 4.141 -0.384 1.00 0.00 C ATOM 956 C GLY A 58 1.843 3.708 -0.584 1.00 0.00 C ATOM 957 O GLY A 58 1.369 2.779 0.070 1.00 0.00 O ATOM 0 H GLY A 58 4.365 5.365 -1.711 1.00 0.00 H new ATOM 0 HA2 GLY A 58 3.843 3.351 0.127 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.326 5.020 0.259 1.00 0.00 H new ATOM 961 N MET A 59 1.143 4.386 -1.487 1.00 0.00 N ATOM 962 CA MET A 59 -0.252 4.058 -1.758 1.00 0.00 C ATOM 963 C MET A 59 -0.358 2.741 -2.521 1.00 0.00 C ATOM 964 O MET A 59 -1.213 1.906 -2.224 1.00 0.00 O ATOM 965 CB MET A 59 -0.903 5.176 -2.574 1.00 0.00 C ATOM 966 CG MET A 59 -1.158 6.384 -1.672 1.00 0.00 C ATOM 967 SD MET A 59 -2.866 6.342 -1.076 1.00 0.00 S ATOM 968 CE MET A 59 -3.292 8.051 -1.489 1.00 0.00 C ATOM 0 H MET A 59 1.514 5.159 -2.039 1.00 0.00 H new ATOM 0 HA MET A 59 -0.771 3.954 -0.805 1.00 0.00 H new ATOM 0 HB2 MET A 59 -0.256 5.459 -3.404 1.00 0.00 H new ATOM 0 HB3 MET A 59 -1.841 4.827 -3.006 1.00 0.00 H new ATOM 0 HG2 MET A 59 -0.467 6.374 -0.829 1.00 0.00 H new ATOM 0 HG3 MET A 59 -0.976 7.307 -2.222 1.00 0.00 H new ATOM 0 HE1 MET A 59 -4.325 8.248 -1.201 1.00 0.00 H new ATOM 0 HE2 MET A 59 -2.630 8.731 -0.953 1.00 0.00 H new ATOM 0 HE3 MET A 59 -3.179 8.205 -2.562 1.00 0.00 H new ATOM 978 N PHE A 60 0.513 2.564 -3.508 1.00 0.00 N ATOM 979 CA PHE A 60 0.507 1.347 -4.312 1.00 0.00 C ATOM 980 C PHE A 60 0.840 0.130 -3.455 1.00 0.00 C ATOM 981 O PHE A 60 0.281 -0.950 -3.650 1.00 0.00 O ATOM 982 CB PHE A 60 1.527 1.467 -5.447 1.00 0.00 C ATOM 983 CG PHE A 60 0.911 0.970 -6.733 1.00 0.00 C ATOM 984 CD1 PHE A 60 0.706 -0.402 -6.927 1.00 0.00 C ATOM 985 CD2 PHE A 60 0.544 1.881 -7.729 1.00 0.00 C ATOM 986 CE1 PHE A 60 0.133 -0.861 -8.119 1.00 0.00 C ATOM 987 CE2 PHE A 60 -0.029 1.421 -8.921 1.00 0.00 C ATOM 988 CZ PHE A 60 -0.235 0.050 -9.116 1.00 0.00 C ATOM 0 H PHE A 60 1.228 3.243 -3.770 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.492 1.218 -4.729 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.841 2.505 -5.559 1.00 0.00 H new ATOM 0 HB3 PHE A 60 2.419 0.887 -5.211 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.990 -1.105 -6.158 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.703 2.939 -7.579 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -0.025 -1.919 -8.269 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.312 2.124 -9.690 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.678 -0.305 -10.035 1.00 0.00 H new ATOM 998 N SER A 61 1.756 0.308 -2.509 1.00 0.00 N ATOM 999 CA SER A 61 2.156 -0.787 -1.632 1.00 0.00 C ATOM 1000 C SER A 61 1.037 -1.133 -0.654 1.00 0.00 C ATOM 1001 O SER A 61 0.820 -2.302 -0.334 1.00 0.00 O ATOM 1002 CB SER A 61 3.413 -0.399 -0.853 1.00 0.00 C ATOM 1003 OG SER A 61 4.337 0.227 -1.733 1.00 0.00 O ATOM 0 H SER A 61 2.232 1.192 -2.330 1.00 0.00 H new ATOM 0 HA SER A 61 2.364 -1.661 -2.249 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.155 0.277 -0.037 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.864 -1.284 -0.403 1.00 0.00 H new ATOM 0 HG SER A 61 4.186 1.195 -1.731 1.00 0.00 H new ATOM 1009 N PHE A 62 0.331 -0.111 -0.181 1.00 0.00 N ATOM 1010 CA PHE A 62 -0.761 -0.323 0.762 1.00 0.00 C ATOM 1011 C PHE A 62 -1.843 -1.205 0.145 1.00 0.00 C ATOM 1012 O PHE A 62 -2.391 -2.085 0.809 1.00 0.00 O ATOM 1013 CB PHE A 62 -1.367 1.024 1.170 1.00 0.00 C ATOM 1014 CG PHE A 62 -1.068 1.296 2.626 1.00 0.00 C ATOM 1015 CD1 PHE A 62 0.170 1.832 2.999 1.00 0.00 C ATOM 1016 CD2 PHE A 62 -2.031 1.013 3.603 1.00 0.00 C ATOM 1017 CE1 PHE A 62 0.447 2.084 4.348 1.00 0.00 C ATOM 1018 CE2 PHE A 62 -1.754 1.265 4.952 1.00 0.00 C ATOM 1019 CZ PHE A 62 -0.515 1.800 5.324 1.00 0.00 C ATOM 0 H PHE A 62 0.493 0.864 -0.432 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.362 -0.825 1.643 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -0.957 1.821 0.549 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.444 1.014 1.006 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.912 2.051 2.246 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -2.987 0.601 3.316 1.00 0.00 H new ATOM 0 HE1 PHE A 62 1.403 2.497 4.635 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.496 1.047 5.706 1.00 0.00 H new ATOM 0 HZ PHE A 62 -0.301 1.994 6.365 1.00 0.00 H new ATOM 1029 N ILE A 63 -2.146 -0.965 -1.126 1.00 0.00 N ATOM 1030 CA ILE A 63 -3.163 -1.748 -1.818 1.00 0.00 C ATOM 1031 C ILE A 63 -2.739 -3.209 -1.910 1.00 0.00 C ATOM 1032 O ILE A 63 -3.513 -4.112 -1.591 1.00 0.00 O ATOM 1033 CB ILE A 63 -3.388 -1.191 -3.224 1.00 0.00 C ATOM 1034 CG1 ILE A 63 -3.963 0.224 -3.126 1.00 0.00 C ATOM 1035 CG2 ILE A 63 -4.371 -2.088 -3.979 1.00 0.00 C ATOM 1036 CD1 ILE A 63 -3.781 0.942 -4.464 1.00 0.00 C ATOM 0 H ILE A 63 -1.706 -0.241 -1.694 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.092 -1.684 -1.251 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.438 -1.163 -3.758 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.020 0.181 -2.865 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.461 0.778 -2.333 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.531 -1.690 -4.981 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.963 -3.096 -4.050 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.321 -2.118 -3.445 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.190 1.950 -4.395 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.720 0.997 -4.706 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.303 0.391 -5.246 1.00 0.00 H new ATOM 1048 N ILE A 64 -1.505 -3.435 -2.348 1.00 0.00 N ATOM 1049 CA ILE A 64 -0.987 -4.792 -2.476 1.00 0.00 C ATOM 1050 C ILE A 64 -1.058 -5.518 -1.138 1.00 0.00 C ATOM 1051 O ILE A 64 -1.434 -6.687 -1.077 1.00 0.00 O ATOM 1052 CB ILE A 64 0.461 -4.755 -2.964 1.00 0.00 C ATOM 1053 CG1 ILE A 64 0.499 -4.240 -4.404 1.00 0.00 C ATOM 1054 CG2 ILE A 64 1.054 -6.165 -2.913 1.00 0.00 C ATOM 1055 CD1 ILE A 64 1.934 -4.293 -4.930 1.00 0.00 C ATOM 0 H ILE A 64 -0.849 -2.702 -2.619 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.599 -5.329 -3.201 1.00 0.00 H new ATOM 0 HB ILE A 64 1.043 -4.093 -2.323 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.153 -4.845 -5.035 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.123 -3.218 -4.445 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.087 -6.138 -3.261 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.026 -6.535 -1.888 1.00 0.00 H new ATOM 0 HG23 ILE A 64 0.472 -6.828 -3.554 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.959 -3.926 -5.956 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.574 -3.669 -4.306 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.293 -5.322 -4.904 1.00 0.00 H new ATOM 1067 N VAL A 65 -0.695 -4.818 -0.069 1.00 0.00 N ATOM 1068 CA VAL A 65 -0.723 -5.407 1.266 1.00 0.00 C ATOM 1069 C VAL A 65 -2.161 -5.600 1.738 1.00 0.00 C ATOM 1070 O VAL A 65 -2.477 -6.577 2.417 1.00 0.00 O ATOM 1071 CB VAL A 65 0.019 -4.502 2.251 1.00 0.00 C ATOM 1072 CG1 VAL A 65 -0.417 -4.837 3.679 1.00 0.00 C ATOM 1073 CG2 VAL A 65 1.526 -4.725 2.115 1.00 0.00 C ATOM 0 H VAL A 65 -0.380 -3.848 -0.099 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.232 -6.379 1.223 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.216 -3.460 2.033 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.111 -4.192 4.381 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.491 -4.678 3.778 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.183 -5.879 3.896 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.054 -4.080 2.817 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.761 -5.767 2.333 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.839 -4.487 1.098 1.00 0.00 H new ATOM 1083 N ALA A 66 -3.026 -4.658 1.377 1.00 0.00 N ATOM 1084 CA ALA A 66 -4.428 -4.726 1.772 1.00 0.00 C ATOM 1085 C ALA A 66 -5.060 -6.040 1.323 1.00 0.00 C ATOM 1086 O ALA A 66 -5.720 -6.722 2.108 1.00 0.00 O ATOM 1087 CB ALA A 66 -5.197 -3.553 1.161 1.00 0.00 C ATOM 0 H ALA A 66 -2.783 -3.843 0.815 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.478 -4.672 2.859 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -6.244 -3.609 1.460 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.769 -2.614 1.513 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.127 -3.599 0.074 1.00 0.00 H new ATOM 1093 N ILE A 67 -4.863 -6.387 0.055 1.00 0.00 N ATOM 1094 CA ILE A 67 -5.429 -7.619 -0.484 1.00 0.00 C ATOM 1095 C ILE A 67 -4.637 -8.838 -0.018 1.00 0.00 C ATOM 1096 O ILE A 67 -5.206 -9.905 0.207 1.00 0.00 O ATOM 1097 CB ILE A 67 -5.444 -7.566 -2.014 1.00 0.00 C ATOM 1098 CG1 ILE A 67 -4.061 -7.160 -2.528 1.00 0.00 C ATOM 1099 CG2 ILE A 67 -6.479 -6.540 -2.477 1.00 0.00 C ATOM 1100 CD1 ILE A 67 -3.280 -8.410 -2.939 1.00 0.00 C ATOM 0 H ILE A 67 -4.321 -5.839 -0.613 1.00 0.00 H new ATOM 0 HA ILE A 67 -6.450 -7.711 -0.114 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.702 -8.549 -2.407 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.161 -6.485 -3.378 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.518 -6.618 -1.753 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -6.491 -6.501 -3.566 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -7.465 -6.829 -2.113 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -6.220 -5.558 -2.082 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.295 -8.120 -3.305 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.167 -9.068 -2.078 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.820 -8.934 -3.728 1.00 0.00 H new ATOM 1112 N LEU A 68 -3.324 -8.679 0.122 1.00 0.00 N ATOM 1113 CA LEU A 68 -2.477 -9.787 0.560 1.00 0.00 C ATOM 1114 C LEU A 68 -2.964 -10.338 1.898 1.00 0.00 C ATOM 1115 O LEU A 68 -3.083 -11.550 2.075 1.00 0.00 O ATOM 1116 CB LEU A 68 -1.025 -9.317 0.701 1.00 0.00 C ATOM 1117 CG LEU A 68 -0.066 -10.447 0.310 1.00 0.00 C ATOM 1118 CD1 LEU A 68 0.503 -10.172 -1.083 1.00 0.00 C ATOM 1119 CD2 LEU A 68 1.080 -10.509 1.322 1.00 0.00 C ATOM 0 H LEU A 68 -2.827 -7.807 -0.058 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.532 -10.576 -0.190 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.853 -8.447 0.067 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.833 -9.006 1.728 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.602 -11.396 0.304 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.185 -10.975 -1.362 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.312 -10.120 -1.805 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.042 -9.224 -1.075 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.765 -11.312 1.048 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.616 -9.560 1.324 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.677 -10.700 2.317 1.00 0.00 H new ATOM 1131 N VAL A 69 -3.242 -9.437 2.835 1.00 0.00 N ATOM 1132 CA VAL A 69 -3.714 -9.840 4.157 1.00 0.00 C ATOM 1133 C VAL A 69 -5.163 -10.312 4.091 1.00 0.00 C ATOM 1134 O VAL A 69 -5.545 -11.272 4.758 1.00 0.00 O ATOM 1135 CB VAL A 69 -3.602 -8.667 5.131 1.00 0.00 C ATOM 1136 CG1 VAL A 69 -2.144 -8.214 5.221 1.00 0.00 C ATOM 1137 CG2 VAL A 69 -4.466 -7.507 4.632 1.00 0.00 C ATOM 0 H VAL A 69 -3.150 -8.429 2.706 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.092 -10.664 4.507 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.946 -8.980 6.117 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -2.065 -7.378 5.916 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.528 -9.040 5.576 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.799 -7.901 4.236 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.387 -6.670 5.326 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.122 -7.195 3.646 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.506 -7.829 4.568 1.00 0.00 H new ATOM 1147 N SER A 70 -5.962 -9.629 3.280 1.00 0.00 N ATOM 1148 CA SER A 70 -7.369 -9.981 3.127 1.00 0.00 C ATOM 1149 C SER A 70 -7.493 -11.325 2.428 1.00 0.00 C ATOM 1150 O SER A 70 -8.308 -12.167 2.807 1.00 0.00 O ATOM 1151 CB SER A 70 -8.090 -8.907 2.310 1.00 0.00 C ATOM 1152 OG SER A 70 -9.459 -8.865 2.691 1.00 0.00 O ATOM 0 H SER A 70 -5.662 -8.831 2.720 1.00 0.00 H new ATOM 0 HA SER A 70 -7.826 -10.047 4.114 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.625 -7.935 2.475 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.004 -9.125 1.245 1.00 0.00 H new ATOM 0 HG SER A 70 -9.923 -8.176 2.170 1.00 0.00 H new ATOM 1158 N THR A 71 -6.665 -11.521 1.411 1.00 0.00 N ATOM 1159 CA THR A 71 -6.665 -12.767 0.663 1.00 0.00 C ATOM 1160 C THR A 71 -6.020 -13.866 1.495 1.00 0.00 C ATOM 1161 O THR A 71 -6.373 -15.040 1.379 1.00 0.00 O ATOM 1162 CB THR A 71 -5.895 -12.595 -0.649 1.00 0.00 C ATOM 1163 OG1 THR A 71 -4.647 -11.968 -0.385 1.00 0.00 O ATOM 1164 CG2 THR A 71 -6.708 -11.729 -1.612 1.00 0.00 C ATOM 0 H THR A 71 -5.986 -10.833 1.087 1.00 0.00 H new ATOM 0 HA THR A 71 -7.695 -13.042 0.436 1.00 0.00 H new ATOM 0 HB THR A 71 -5.724 -13.572 -1.100 1.00 0.00 H new ATOM 0 HG1 THR A 71 -4.783 -11.004 -0.270 1.00 0.00 H new ATOM 0 HG21 THR A 71 -6.158 -11.608 -2.545 1.00 0.00 H new ATOM 0 HG22 THR A 71 -7.665 -12.210 -1.815 1.00 0.00 H new ATOM 0 HG23 THR A 71 -6.882 -10.751 -1.164 1.00 0.00 H new ATOM 1172 N VAL A 72 -5.069 -13.472 2.337 1.00 0.00 N ATOM 1173 CA VAL A 72 -4.375 -14.430 3.191 1.00 0.00 C ATOM 1174 C VAL A 72 -5.279 -14.869 4.335 1.00 0.00 C ATOM 1175 O VAL A 72 -5.444 -16.062 4.589 1.00 0.00 O ATOM 1176 CB VAL A 72 -3.101 -13.804 3.756 1.00 0.00 C ATOM 1177 CG1 VAL A 72 -2.684 -14.551 5.025 1.00 0.00 C ATOM 1178 CG2 VAL A 72 -1.982 -13.900 2.717 1.00 0.00 C ATOM 0 H VAL A 72 -4.763 -12.505 2.446 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.111 -15.301 2.591 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.286 -12.757 3.996 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.775 -14.104 5.428 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.481 -14.483 5.766 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.499 -15.598 4.786 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.073 -13.454 3.119 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.797 -14.947 2.477 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -2.278 -13.368 1.813 1.00 0.00 H new ATOM 1188 N LYS A 73 -5.871 -13.894 5.015 1.00 0.00 N ATOM 1189 CA LYS A 73 -6.767 -14.186 6.124 1.00 0.00 C ATOM 1190 C LYS A 73 -8.021 -14.879 5.608 1.00 0.00 C ATOM 1191 O LYS A 73 -8.641 -15.675 6.313 1.00 0.00 O ATOM 1192 CB LYS A 73 -7.152 -12.892 6.845 1.00 0.00 C ATOM 1193 CG LYS A 73 -7.141 -13.125 8.358 1.00 0.00 C ATOM 1194 CD LYS A 73 -7.461 -11.815 9.081 1.00 0.00 C ATOM 1195 CE LYS A 73 -7.978 -12.123 10.488 1.00 0.00 C ATOM 1196 NZ LYS A 73 -7.196 -13.253 11.066 1.00 0.00 N ATOM 0 H LYS A 73 -5.747 -12.901 4.819 1.00 0.00 H new ATOM 0 HA LYS A 73 -6.255 -14.845 6.826 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -6.454 -12.097 6.584 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.141 -12.565 6.524 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.873 -13.887 8.624 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -6.166 -13.497 8.672 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -6.569 -11.191 9.138 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -8.209 -11.252 8.522 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -7.887 -11.241 11.122 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.037 -12.380 10.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.266 -13.229 12.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -7.577 -14.155 10.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.199 -13.165 10.784 1.00 0.00 H new ATOM 1210 N SER A 74 -8.387 -14.567 4.367 1.00 0.00 N ATOM 1211 CA SER A 74 -9.571 -15.163 3.757 1.00 0.00 C ATOM 1212 C SER A 74 -9.490 -16.686 3.805 1.00 0.00 C ATOM 1213 O SER A 74 -10.510 -17.368 3.901 1.00 0.00 O ATOM 1214 CB SER A 74 -9.697 -14.703 2.305 1.00 0.00 C ATOM 1215 OG SER A 74 -10.328 -15.723 1.542 1.00 0.00 O ATOM 0 H SER A 74 -7.885 -13.911 3.769 1.00 0.00 H new ATOM 0 HA SER A 74 -10.448 -14.839 4.318 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.277 -13.782 2.252 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.712 -14.483 1.894 1.00 0.00 H new ATOM 0 HG SER A 74 -10.412 -15.430 0.610 1.00 0.00 H new ATOM 1471 N VAL A 89 -21.180 -5.341 31.847 1.00 0.00 N ATOM 1472 CA VAL A 89 -22.312 -4.791 32.588 1.00 0.00 C ATOM 1473 C VAL A 89 -21.850 -4.083 33.860 1.00 0.00 C ATOM 1474 O VAL A 89 -22.430 -3.075 34.263 1.00 0.00 O ATOM 1475 CB VAL A 89 -23.290 -5.910 32.953 1.00 0.00 C ATOM 1476 CG1 VAL A 89 -22.556 -6.998 33.740 1.00 0.00 C ATOM 1477 CG2 VAL A 89 -24.423 -5.337 33.809 1.00 0.00 C ATOM 0 HA VAL A 89 -22.809 -4.061 31.949 1.00 0.00 H new ATOM 0 HB VAL A 89 -23.704 -6.341 32.041 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -23.254 -7.794 33.999 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -21.750 -7.407 33.131 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -22.140 -6.570 34.652 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -25.120 -6.133 34.070 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -24.008 -4.905 34.720 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -24.948 -4.564 33.248 1.00 0.00 H new ATOM 1487 N GLU A 90 -20.810 -4.616 34.492 1.00 0.00 N ATOM 1488 CA GLU A 90 -20.292 -4.023 35.721 1.00 0.00 C ATOM 1489 C GLU A 90 -19.502 -2.752 35.423 1.00 0.00 C ATOM 1490 O GLU A 90 -19.616 -1.758 36.140 1.00 0.00 O ATOM 1491 CB GLU A 90 -19.392 -5.026 36.446 1.00 0.00 C ATOM 1492 CG GLU A 90 -18.779 -4.361 37.679 1.00 0.00 C ATOM 1493 CD GLU A 90 -17.308 -4.048 37.426 1.00 0.00 C ATOM 1494 OE1 GLU A 90 -16.489 -4.922 37.655 1.00 0.00 O ATOM 1495 OE2 GLU A 90 -17.023 -2.938 37.007 1.00 0.00 O ATOM 0 H GLU A 90 -20.313 -5.449 34.178 1.00 0.00 H new ATOM 0 HA GLU A 90 -21.139 -3.765 36.357 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -19.969 -5.902 36.741 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -18.604 -5.374 35.778 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -19.319 -3.444 37.914 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -18.876 -5.018 38.543 1.00 0.00 H new ATOM 1502 N ASP A 91 -18.698 -2.794 34.367 1.00 0.00 N ATOM 1503 CA ASP A 91 -17.888 -1.641 33.990 1.00 0.00 C ATOM 1504 C ASP A 91 -18.763 -0.507 33.461 1.00 0.00 C ATOM 1505 O ASP A 91 -18.378 0.661 33.515 1.00 0.00 O ATOM 1506 CB ASP A 91 -16.874 -2.046 32.919 1.00 0.00 C ATOM 1507 CG ASP A 91 -15.515 -2.305 33.560 1.00 0.00 C ATOM 1508 OD1 ASP A 91 -15.060 -1.451 34.303 1.00 0.00 O ATOM 1509 OD2 ASP A 91 -14.948 -3.353 33.298 1.00 0.00 O ATOM 0 H ASP A 91 -18.589 -3.607 33.761 1.00 0.00 H new ATOM 0 HA ASP A 91 -17.364 -1.289 34.878 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -17.218 -2.941 32.401 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -16.788 -1.258 32.171 1.00 0.00 H new ATOM 1514 N TRP A 92 -19.937 -0.856 32.947 1.00 0.00 N ATOM 1515 CA TRP A 92 -20.850 0.146 32.408 1.00 0.00 C ATOM 1516 C TRP A 92 -21.432 1.005 33.527 1.00 0.00 C ATOM 1517 O TRP A 92 -21.553 2.222 33.386 1.00 0.00 O ATOM 1518 CB TRP A 92 -21.982 -0.538 31.638 1.00 0.00 C ATOM 1519 CG TRP A 92 -21.563 -0.735 30.217 1.00 0.00 C ATOM 1520 CD1 TRP A 92 -20.288 -0.923 29.804 1.00 0.00 C ATOM 1521 CD2 TRP A 92 -22.391 -0.765 29.018 1.00 0.00 C ATOM 1522 NE1 TRP A 92 -20.281 -1.068 28.428 1.00 0.00 N ATOM 1523 CE2 TRP A 92 -21.552 -0.978 27.898 1.00 0.00 C ATOM 1524 CE3 TRP A 92 -23.773 -0.632 28.795 1.00 0.00 C ATOM 1525 CZ2 TRP A 92 -22.067 -1.055 26.603 1.00 0.00 C ATOM 1526 CZ3 TRP A 92 -24.294 -0.708 27.493 1.00 0.00 C ATOM 1527 CH2 TRP A 92 -23.442 -0.919 26.399 1.00 0.00 C ATOM 0 H TRP A 92 -20.277 -1.816 32.892 1.00 0.00 H new ATOM 0 HA TRP A 92 -20.291 0.791 31.731 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -22.220 -1.498 32.096 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -22.886 0.069 31.682 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -19.418 -0.955 30.444 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -19.439 -1.223 27.873 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -24.438 -0.470 29.630 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -21.407 -1.219 25.764 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -25.357 -0.603 27.333 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -23.849 -0.976 25.400 1.00 0.00 H new ATOM 1538 N GLN A 93 -21.785 0.367 34.637 1.00 0.00 N ATOM 1539 CA GLN A 93 -22.347 1.090 35.772 1.00 0.00 C ATOM 1540 C GLN A 93 -21.375 2.164 36.251 1.00 0.00 C ATOM 1541 O GLN A 93 -21.779 3.153 36.863 1.00 0.00 O ATOM 1542 CB GLN A 93 -22.646 0.119 36.916 1.00 0.00 C ATOM 1543 CG GLN A 93 -22.942 0.908 38.193 1.00 0.00 C ATOM 1544 CD GLN A 93 -24.029 0.206 38.999 1.00 0.00 C ATOM 1545 OE1 GLN A 93 -24.881 0.862 39.598 1.00 0.00 O ATOM 1546 NE2 GLN A 93 -24.050 -1.098 39.051 1.00 0.00 N ATOM 0 H GLN A 93 -21.693 -0.639 34.775 1.00 0.00 H new ATOM 0 HA GLN A 93 -23.274 1.568 35.454 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -23.498 -0.510 36.659 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -21.796 -0.545 37.075 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -22.036 1.000 38.792 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -23.261 1.919 37.940 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -23.343 -1.640 38.554 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -24.773 -1.575 39.589 1.00 0.00 H new ATOM 1555 N GLU A 94 -20.093 1.962 35.964 1.00 0.00 N ATOM 1556 CA GLU A 94 -19.070 2.921 36.365 1.00 0.00 C ATOM 1557 C GLU A 94 -19.117 4.148 35.464 1.00 0.00 C ATOM 1558 O GLU A 94 -19.095 5.284 35.939 1.00 0.00 O ATOM 1559 CB GLU A 94 -17.686 2.276 36.279 1.00 0.00 C ATOM 1560 CG GLU A 94 -17.383 1.536 37.583 1.00 0.00 C ATOM 1561 CD GLU A 94 -18.588 0.699 37.999 1.00 0.00 C ATOM 1562 OE1 GLU A 94 -19.501 1.260 38.581 1.00 0.00 O ATOM 1563 OE2 GLU A 94 -18.579 -0.491 37.729 1.00 0.00 O ATOM 0 H GLU A 94 -19.740 1.149 35.459 1.00 0.00 H new ATOM 0 HA GLU A 94 -19.262 3.226 37.394 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -17.648 1.583 35.439 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -16.929 3.039 36.097 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -16.512 0.894 37.453 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -17.138 2.251 38.368 1.00 0.00 H new ATOM 1570 N LYS A 95 -19.191 3.909 34.160 1.00 0.00 N ATOM 1571 CA LYS A 95 -19.250 4.997 33.195 1.00 0.00 C ATOM 1572 C LYS A 95 -20.632 5.638 33.216 1.00 0.00 C ATOM 1573 O LYS A 95 -20.794 6.804 32.856 1.00 0.00 O ATOM 1574 CB LYS A 95 -18.947 4.468 31.791 1.00 0.00 C ATOM 1575 CG LYS A 95 -19.083 5.602 30.773 1.00 0.00 C ATOM 1576 CD LYS A 95 -18.484 5.163 29.435 1.00 0.00 C ATOM 1577 CE LYS A 95 -17.193 5.941 29.172 1.00 0.00 C ATOM 1578 NZ LYS A 95 -17.514 7.383 28.977 1.00 0.00 N ATOM 0 H LYS A 95 -19.211 2.976 33.749 1.00 0.00 H new ATOM 0 HA LYS A 95 -18.505 5.746 33.463 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -17.939 4.055 31.757 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -19.632 3.658 31.541 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -20.133 5.865 30.644 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -18.573 6.494 31.136 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -18.279 4.093 29.450 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -19.197 5.339 28.630 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -16.506 5.820 30.009 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -16.691 5.546 28.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -16.827 7.806 28.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -18.472 7.475 28.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -17.468 7.876 29.892 1.00 0.00 H new ATOM 1592 N TYR A 96 -21.625 4.866 33.646 1.00 0.00 N ATOM 1593 CA TYR A 96 -22.992 5.367 33.717 1.00 0.00 C ATOM 1594 C TYR A 96 -23.070 6.560 34.665 1.00 0.00 C ATOM 1595 O TYR A 96 -23.942 7.418 34.529 1.00 0.00 O ATOM 1596 CB TYR A 96 -23.930 4.261 34.206 1.00 0.00 C ATOM 1597 CG TYR A 96 -25.182 4.251 33.361 1.00 0.00 C ATOM 1598 CD1 TYR A 96 -25.116 3.859 32.019 1.00 0.00 C ATOM 1599 CD2 TYR A 96 -26.407 4.634 33.920 1.00 0.00 C ATOM 1600 CE1 TYR A 96 -26.275 3.850 31.235 1.00 0.00 C ATOM 1601 CE2 TYR A 96 -27.567 4.624 33.136 1.00 0.00 C ATOM 1602 CZ TYR A 96 -27.500 4.232 31.793 1.00 0.00 C ATOM 1603 OH TYR A 96 -28.643 4.223 31.020 1.00 0.00 O ATOM 0 H TYR A 96 -21.510 3.899 33.948 1.00 0.00 H new ATOM 0 HA TYR A 96 -23.298 5.685 32.720 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -23.431 3.294 34.147 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -24.186 4.424 35.253 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -24.171 3.563 31.589 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -26.457 4.937 34.955 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -26.224 3.548 30.199 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -28.513 4.918 33.566 1.00 0.00 H new ATOM 0 HH TYR A 96 -29.406 4.515 31.561 1.00 0.00 H new ATOM 1613 N LYS A 97 -22.150 6.607 35.622 1.00 0.00 N ATOM 1614 CA LYS A 97 -22.119 7.700 36.586 1.00 0.00 C ATOM 1615 C LYS A 97 -21.620 8.978 35.922 1.00 0.00 C ATOM 1616 O LYS A 97 -22.037 10.080 36.280 1.00 0.00 O ATOM 1617 CB LYS A 97 -21.202 7.338 37.758 1.00 0.00 C ATOM 1618 CG LYS A 97 -21.233 8.460 38.800 1.00 0.00 C ATOM 1619 CD LYS A 97 -19.826 9.034 38.980 1.00 0.00 C ATOM 1620 CE LYS A 97 -19.866 10.176 39.997 1.00 0.00 C ATOM 1621 NZ LYS A 97 -18.484 10.683 40.227 1.00 0.00 N ATOM 0 H LYS A 97 -21.420 5.906 35.751 1.00 0.00 H new ATOM 0 HA LYS A 97 -23.131 7.865 36.957 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -21.525 6.400 38.209 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -20.183 7.186 37.402 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -21.919 9.245 38.483 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -21.605 8.077 39.750 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -19.145 8.254 39.320 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -19.445 9.396 38.025 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -20.504 10.981 39.632 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -20.298 9.827 40.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -18.510 11.460 40.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -17.888 9.913 40.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -18.088 11.031 39.330 1.00 0.00 H new ATOM 1635 N SER A 98 -20.725 8.822 34.952 1.00 0.00 N ATOM 1636 CA SER A 98 -20.173 9.969 34.239 1.00 0.00 C ATOM 1637 C SER A 98 -21.288 10.783 33.589 1.00 0.00 C ATOM 1638 O SER A 98 -21.223 12.011 33.536 1.00 0.00 O ATOM 1639 CB SER A 98 -19.193 9.495 33.165 1.00 0.00 C ATOM 1640 OG SER A 98 -18.764 8.174 33.469 1.00 0.00 O ATOM 0 H SER A 98 -20.368 7.918 34.643 1.00 0.00 H new ATOM 0 HA SER A 98 -19.648 10.600 34.956 1.00 0.00 H new ATOM 0 HB2 SER A 98 -19.670 9.518 32.185 1.00 0.00 H new ATOM 0 HB3 SER A 98 -18.335 10.166 33.117 1.00 0.00 H new ATOM 0 HG SER A 98 -19.273 7.533 32.930 1.00 0.00 H new ATOM 1646 N GLN A 99 -22.310 10.090 33.096 1.00 0.00 N ATOM 1647 CA GLN A 99 -23.435 10.758 32.450 1.00 0.00 C ATOM 1648 C GLN A 99 -24.074 11.766 33.399 1.00 0.00 C ATOM 1649 O GLN A 99 -24.336 12.909 33.021 1.00 0.00 O ATOM 1650 CB GLN A 99 -24.478 9.727 32.018 1.00 0.00 C ATOM 1651 CG GLN A 99 -23.777 8.541 31.353 1.00 0.00 C ATOM 1652 CD GLN A 99 -24.463 8.204 30.033 1.00 0.00 C ATOM 1653 OE1 GLN A 99 -25.616 8.578 29.818 1.00 0.00 O ATOM 1654 NE2 GLN A 99 -23.818 7.515 29.132 1.00 0.00 N ATOM 0 H GLN A 99 -22.383 9.073 33.131 1.00 0.00 H new ATOM 0 HA GLN A 99 -23.064 11.287 31.572 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -25.049 9.388 32.882 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -25.187 10.180 31.325 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -22.728 8.780 31.177 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -23.800 7.676 32.016 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -22.863 7.207 29.313 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -24.269 7.285 28.247 1.00 0.00 H new ATOM 1663 N ILE A 100 -24.321 11.338 34.632 1.00 0.00 N ATOM 1664 CA ILE A 100 -24.927 12.217 35.626 1.00 0.00 C ATOM 1665 C ILE A 100 -24.020 13.412 35.896 1.00 0.00 C ATOM 1666 O ILE A 100 -24.491 14.534 36.082 1.00 0.00 O ATOM 1667 CB ILE A 100 -25.170 11.451 36.927 1.00 0.00 C ATOM 1668 CG1 ILE A 100 -25.949 10.169 36.624 1.00 0.00 C ATOM 1669 CG2 ILE A 100 -25.979 12.322 37.890 1.00 0.00 C ATOM 1670 CD1 ILE A 100 -26.570 9.630 37.914 1.00 0.00 C ATOM 0 H ILE A 100 -24.113 10.397 34.965 1.00 0.00 H new ATOM 0 HA ILE A 100 -25.881 12.575 35.238 1.00 0.00 H new ATOM 0 HB ILE A 100 -24.213 11.198 37.383 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -26.729 10.370 35.889 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -25.285 9.422 36.188 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -26.152 11.775 38.817 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -25.426 13.236 38.105 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -26.936 12.576 37.434 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -27.125 8.717 37.697 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -25.781 9.413 38.634 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -27.247 10.375 38.331 1.00 0.00 H new ATOM 1682 N LEU A 101 -22.714 13.163 35.912 1.00 0.00 N ATOM 1683 CA LEU A 101 -21.745 14.224 36.155 1.00 0.00 C ATOM 1684 C LEU A 101 -21.746 15.220 35.000 1.00 0.00 C ATOM 1685 O LEU A 101 -21.682 16.431 35.212 1.00 0.00 O ATOM 1686 CB LEU A 101 -20.346 13.627 36.314 1.00 0.00 C ATOM 1687 CG LEU A 101 -19.371 14.722 36.750 1.00 0.00 C ATOM 1688 CD1 LEU A 101 -19.356 14.815 38.277 1.00 0.00 C ATOM 1689 CD2 LEU A 101 -17.966 14.384 36.247 1.00 0.00 C ATOM 0 H LEU A 101 -22.305 12.241 35.760 1.00 0.00 H new ATOM 0 HA LEU A 101 -22.023 14.744 37.072 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -20.363 12.825 37.052 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -20.018 13.187 35.373 1.00 0.00 H new ATOM 0 HG LEU A 101 -19.688 15.677 36.331 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -18.661 15.595 38.587 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -20.356 15.056 38.637 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -19.040 13.860 38.697 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -17.271 15.164 36.557 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -17.650 13.429 36.666 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -17.975 14.318 35.159 1.00 0.00 H new ATOM 1701 N ASN A 102 -21.820 14.701 33.779 1.00 0.00 N ATOM 1702 CA ASN A 102 -21.831 15.556 32.598 1.00 0.00 C ATOM 1703 C ASN A 102 -23.045 16.478 32.624 1.00 0.00 C ATOM 1704 O ASN A 102 -22.961 17.644 32.238 1.00 0.00 O ATOM 1705 CB ASN A 102 -21.865 14.698 31.332 1.00 0.00 C ATOM 1706 CG ASN A 102 -22.371 15.526 30.157 1.00 0.00 C ATOM 1707 OD1 ASN A 102 -23.421 15.223 29.589 1.00 0.00 O ATOM 1708 ND2 ASN A 102 -21.684 16.560 29.756 1.00 0.00 N ATOM 0 H ASN A 102 -21.873 13.702 33.582 1.00 0.00 H new ATOM 0 HA ASN A 102 -20.925 16.162 32.599 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -20.868 14.315 31.115 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -22.512 13.834 31.485 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -22.016 17.120 28.970 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -20.815 16.809 30.228 1.00 0.00 H new ATOM 1715 N LEU A 103 -24.172 15.946 33.084 1.00 0.00 N ATOM 1716 CA LEU A 103 -25.399 16.727 33.162 1.00 0.00 C ATOM 1717 C LEU A 103 -25.182 17.977 34.008 1.00 0.00 C ATOM 1718 O LEU A 103 -25.647 19.062 33.661 1.00 0.00 O ATOM 1719 CB LEU A 103 -26.517 15.881 33.776 1.00 0.00 C ATOM 1720 CG LEU A 103 -27.861 16.290 33.170 1.00 0.00 C ATOM 1721 CD1 LEU A 103 -27.950 15.786 31.727 1.00 0.00 C ATOM 1722 CD2 LEU A 103 -28.997 15.678 33.994 1.00 0.00 C ATOM 0 H LEU A 103 -24.261 14.982 33.407 1.00 0.00 H new ATOM 0 HA LEU A 103 -25.683 17.028 32.154 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -26.330 14.823 33.591 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -26.538 16.017 34.857 1.00 0.00 H new ATOM 0 HG LEU A 103 -27.946 17.377 33.179 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -28.908 16.079 31.298 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -27.141 16.220 31.139 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -27.864 14.699 31.715 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -29.956 15.968 33.564 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -28.909 14.592 33.984 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -28.936 16.038 35.021 1.00 0.00 H new ATOM 1734 N GLU A 104 -24.471 17.817 35.120 1.00 0.00 N ATOM 1735 CA GLU A 104 -24.197 18.940 36.009 1.00 0.00 C ATOM 1736 C GLU A 104 -23.309 19.967 35.315 1.00 0.00 C ATOM 1737 O GLU A 104 -23.483 21.173 35.492 1.00 0.00 O ATOM 1738 CB GLU A 104 -23.508 18.447 37.282 1.00 0.00 C ATOM 1739 CG GLU A 104 -24.103 19.164 38.495 1.00 0.00 C ATOM 1740 CD GLU A 104 -23.078 19.219 39.623 1.00 0.00 C ATOM 1741 OE1 GLU A 104 -22.054 18.567 39.499 1.00 0.00 O ATOM 1742 OE2 GLU A 104 -23.332 19.912 40.595 1.00 0.00 O ATOM 0 H GLU A 104 -24.077 16.927 35.425 1.00 0.00 H new ATOM 0 HA GLU A 104 -25.145 19.410 36.270 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -23.637 17.369 37.384 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -22.436 18.636 37.224 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -24.406 20.174 38.218 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -24.999 18.643 38.832 1.00 0.00 H new ATOM 1749 N GLU A 105 -22.358 19.481 34.524 1.00 0.00 N ATOM 1750 CA GLU A 105 -21.450 20.369 33.808 1.00 0.00 C ATOM 1751 C GLU A 105 -22.208 21.169 32.753 1.00 0.00 C ATOM 1752 O GLU A 105 -21.901 22.335 32.505 1.00 0.00 O ATOM 1753 CB GLU A 105 -20.342 19.554 33.137 1.00 0.00 C ATOM 1754 CG GLU A 105 -19.386 20.497 32.403 1.00 0.00 C ATOM 1755 CD GLU A 105 -17.944 20.049 32.615 1.00 0.00 C ATOM 1756 OE1 GLU A 105 -17.603 19.731 33.743 1.00 0.00 O ATOM 1757 OE2 GLU A 105 -17.202 20.030 31.647 1.00 0.00 O ATOM 0 H GLU A 105 -22.197 18.487 34.364 1.00 0.00 H new ATOM 0 HA GLU A 105 -21.007 21.061 34.524 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -19.798 18.977 33.884 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -20.775 18.840 32.436 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -19.619 20.508 31.338 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -19.516 21.516 32.768 1.00 0.00 H new ATOM 1764 N SER A 106 -23.199 20.533 32.135 1.00 0.00 N ATOM 1765 CA SER A 106 -23.996 21.196 31.108 1.00 0.00 C ATOM 1766 C SER A 106 -24.687 22.430 31.679 1.00 0.00 C ATOM 1767 O SER A 106 -24.728 23.481 31.039 1.00 0.00 O ATOM 1768 CB SER A 106 -25.044 20.229 30.556 1.00 0.00 C ATOM 1769 OG SER A 106 -26.165 20.201 31.429 1.00 0.00 O ATOM 0 H SER A 106 -23.468 19.568 32.325 1.00 0.00 H new ATOM 0 HA SER A 106 -23.331 21.508 30.303 1.00 0.00 H new ATOM 0 HB2 SER A 106 -25.353 20.541 29.558 1.00 0.00 H new ATOM 0 HB3 SER A 106 -24.619 19.230 30.460 1.00 0.00 H new ATOM 0 HG SER A 106 -25.868 19.981 32.336 1.00 0.00 H new ATOM 1775 N LYS A 107 -25.227 22.297 32.886 1.00 0.00 N ATOM 1776 CA LYS A 107 -25.912 23.410 33.534 1.00 0.00 C ATOM 1777 C LYS A 107 -25.001 24.632 33.608 1.00 0.00 C ATOM 1778 O LYS A 107 -25.440 25.760 33.387 1.00 0.00 O ATOM 1779 CB LYS A 107 -26.345 23.007 34.946 1.00 0.00 C ATOM 1780 CG LYS A 107 -27.149 24.145 35.582 1.00 0.00 C ATOM 1781 CD LYS A 107 -26.955 24.123 37.100 1.00 0.00 C ATOM 1782 CE LYS A 107 -27.597 25.368 37.717 1.00 0.00 C ATOM 1783 NZ LYS A 107 -28.935 25.595 37.101 1.00 0.00 N ATOM 0 H LYS A 107 -25.204 21.436 33.432 1.00 0.00 H new ATOM 0 HA LYS A 107 -26.792 23.663 32.943 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -26.948 22.100 34.907 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -25.470 22.782 35.555 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -26.824 25.104 35.177 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -28.206 24.038 35.338 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -27.404 23.223 37.521 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -25.892 24.092 37.341 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -27.698 25.242 38.795 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -26.959 26.237 37.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -29.499 26.216 37.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -28.817 26.043 36.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -29.424 24.684 36.988 1.00 0.00 H new ATOM 1797 N ALA A 108 -23.732 24.399 33.925 1.00 0.00 N ATOM 1798 CA ALA A 108 -22.768 25.489 34.029 1.00 0.00 C ATOM 1799 C ALA A 108 -22.462 26.072 32.652 1.00 0.00 C ATOM 1800 O ALA A 108 -22.228 27.272 32.515 1.00 0.00 O ATOM 1801 CB ALA A 108 -21.474 24.980 34.669 1.00 0.00 C ATOM 0 H ALA A 108 -23.349 23.473 34.113 1.00 0.00 H new ATOM 0 HA ALA A 108 -23.200 26.272 34.652 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -20.758 25.799 34.744 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -21.688 24.593 35.665 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -21.052 24.185 34.054 1.00 0.00 H new ATOM 1807 N THR A 109 -22.463 25.213 31.638 1.00 0.00 N ATOM 1808 CA THR A 109 -22.181 25.653 30.275 1.00 0.00 C ATOM 1809 C THR A 109 -23.408 26.313 29.656 1.00 0.00 C ATOM 1810 O THR A 109 -23.289 27.256 28.873 1.00 0.00 O ATOM 1811 CB THR A 109 -21.754 24.456 29.420 1.00 0.00 C ATOM 1812 OG1 THR A 109 -21.551 23.327 30.259 1.00 0.00 O ATOM 1813 CG2 THR A 109 -20.454 24.786 28.684 1.00 0.00 C ATOM 0 H THR A 109 -22.654 24.216 31.732 1.00 0.00 H new ATOM 0 HA THR A 109 -21.373 26.383 30.309 1.00 0.00 H new ATOM 0 HB THR A 109 -22.534 24.235 28.691 1.00 0.00 H new ATOM 0 HG1 THR A 109 -21.279 22.559 29.714 1.00 0.00 H new ATOM 0 HG21 THR A 109 -20.153 23.932 28.077 1.00 0.00 H new ATOM 0 HG22 THR A 109 -20.610 25.652 28.041 1.00 0.00 H new ATOM 0 HG23 THR A 109 -19.672 25.009 29.409 1.00 0.00 H new ATOM 1821 N ILE A 110 -24.587 25.809 30.006 1.00 0.00 N ATOM 1822 CA ILE A 110 -25.831 26.355 29.474 1.00 0.00 C ATOM 1823 C ILE A 110 -26.124 27.728 30.073 1.00 0.00 C ATOM 1824 O ILE A 110 -26.567 28.638 29.373 1.00 0.00 O ATOM 1825 CB ILE A 110 -26.989 25.405 29.783 1.00 0.00 C ATOM 1826 CG1 ILE A 110 -26.807 24.110 28.989 1.00 0.00 C ATOM 1827 CG2 ILE A 110 -28.312 26.065 29.387 1.00 0.00 C ATOM 1828 CD1 ILE A 110 -27.631 22.992 29.632 1.00 0.00 C ATOM 0 H ILE A 110 -24.707 25.028 30.651 1.00 0.00 H new ATOM 0 HA ILE A 110 -25.722 26.463 28.395 1.00 0.00 H new ATOM 0 HB ILE A 110 -27.002 25.181 30.850 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -27.121 24.258 27.956 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -25.754 23.831 28.965 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -29.137 25.387 29.607 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -28.441 26.989 29.951 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -28.302 26.289 28.320 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -27.500 22.071 29.065 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -27.296 22.837 30.658 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -28.685 23.271 29.632 1.00 0.00 H new ATOM 1840 N HIS A 111 -25.880 27.867 31.371 1.00 0.00 N ATOM 1841 CA HIS A 111 -26.127 29.132 32.055 1.00 0.00 C ATOM 1842 C HIS A 111 -25.252 30.243 31.478 1.00 0.00 C ATOM 1843 O HIS A 111 -25.630 31.414 31.496 1.00 0.00 O ATOM 1844 CB HIS A 111 -25.838 28.981 33.549 1.00 0.00 C ATOM 1845 CG HIS A 111 -25.675 30.342 34.168 1.00 0.00 C ATOM 1846 ND1 HIS A 111 -26.386 31.507 34.018 1.00 0.00 N flip ATOM 1847 CD2 HIS A 111 -24.666 30.628 35.074 1.00 0.00 C flip ATOM 1848 CE1 HIS A 111 -25.829 32.501 34.818 1.00 0.00 C flip ATOM 1849 NE2 HIS A 111 -24.796 31.919 35.432 1.00 0.00 N flip ATOM 0 H HIS A 111 -25.514 27.125 31.968 1.00 0.00 H new ATOM 0 HA HIS A 111 -27.173 29.400 31.908 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -26.652 28.444 34.035 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -24.933 28.391 33.698 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -23.913 29.940 35.428 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -26.161 33.524 34.920 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -24.181 32.395 36.092 1.00 0.00 H new ATOM 1858 N GLU A 112 -24.083 29.867 30.973 1.00 0.00 N ATOM 1859 CA GLU A 112 -23.160 30.841 30.399 1.00 0.00 C ATOM 1860 C GLU A 112 -23.823 31.615 29.263 1.00 0.00 C ATOM 1861 O GLU A 112 -23.716 32.839 29.188 1.00 0.00 O ATOM 1862 CB GLU A 112 -21.913 30.126 29.872 1.00 0.00 C ATOM 1863 CG GLU A 112 -20.812 31.150 29.585 1.00 0.00 C ATOM 1864 CD GLU A 112 -19.480 30.650 30.134 1.00 0.00 C ATOM 1865 OE1 GLU A 112 -19.440 30.292 31.299 1.00 0.00 O ATOM 1866 OE2 GLU A 112 -18.521 30.632 29.381 1.00 0.00 O ATOM 0 H GLU A 112 -23.753 28.902 30.949 1.00 0.00 H new ATOM 0 HA GLU A 112 -22.876 31.546 31.180 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -21.563 29.398 30.604 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -22.155 29.574 28.964 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -20.732 31.319 28.511 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -21.066 32.107 30.040 1.00 0.00 H new ATOM 1873 N ASN A 113 -24.502 30.893 28.377 1.00 0.00 N ATOM 1874 CA ASN A 113 -25.173 31.521 27.243 1.00 0.00 C ATOM 1875 C ASN A 113 -26.215 32.533 27.714 1.00 0.00 C ATOM 1876 O ASN A 113 -26.255 33.665 27.233 1.00 0.00 O ATOM 1877 CB ASN A 113 -25.853 30.453 26.387 1.00 0.00 C ATOM 1878 CG ASN A 113 -25.597 30.727 24.909 1.00 0.00 C ATOM 1879 OD1 ASN A 113 -25.959 31.789 24.403 1.00 0.00 O ATOM 1880 ND2 ASN A 113 -24.991 29.827 24.184 1.00 0.00 N ATOM 0 H ASN A 113 -24.602 29.879 28.421 1.00 0.00 H new ATOM 0 HA ASN A 113 -24.422 32.046 26.652 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -25.474 29.466 26.653 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -26.925 30.446 26.584 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -24.816 30.002 23.195 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -24.692 28.948 24.607 1.00 0.00 H new