USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 500 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 24 MET CE :methyl 138:sc= -1.04 (180deg=-0.708) USER MOD Set 1.2: A 27 TYR OH : rot 180:sc= 1.29 USER MOD Set 1.3: A 60 HIS : no HD1:sc= -0.852 K(o=-0.6,f=-8.3!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= -0.0979 USER MOD Single : A 21 SER OG : rot -86:sc= 0.434 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -1.22 X(o=-1.2,f=-1.5) USER MOD Single : A 26 GLN : amide:sc= -0.172 K(o=-0.17,f=-1.7!) USER MOD Single : A 28 THR OG1 : rot 180:sc= -1.69 USER MOD Single : A 30 HIS : no HD1:sc= -0.237 K(o=-0.24,f=-0.84) USER MOD Single : A 32 MET CE :methyl -147:sc= -0.154 (180deg=-1.75!) USER MOD Single : A 36 TYR OH : rot -39:sc= 0.119 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0866) USER MOD Single : A 44 GLN : amide:sc= -0.0676 X(o=-0.068,f=-0.55) USER MOD Single : A 45 MET CE :methyl 150:sc= -0.501 (180deg=-2.72!) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0977 USER MOD Single : A 47 ASN : amide:sc= -0.2 X(o=-0.2,f=-0.25) USER MOD Single : A 51 LYS NZ :NH3+ 153:sc= -0.0121 (180deg=-0.274) USER MOD Single : A 61 GLN : amide:sc= -1.92 X(o=-1.9,f=-1.8) USER MOD Single : A 62 LYS NZ :NH3+ -160:sc= -0.0174 (180deg=-0.178) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -123:sc=-0.00623 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 138 N ARG A 13 24.598 -15.025 -11.191 1.00 0.00 N ATOM 139 CA ARG A 13 23.933 -14.845 -12.475 1.00 0.00 C ATOM 140 C ARG A 13 23.814 -16.172 -13.218 1.00 0.00 C ATOM 141 O ARG A 13 22.918 -16.358 -14.042 1.00 0.00 O ATOM 142 CB ARG A 13 24.698 -13.835 -13.333 1.00 0.00 C ATOM 143 CG ARG A 13 26.174 -14.161 -13.485 1.00 0.00 C ATOM 144 CD ARG A 13 27.045 -13.164 -12.736 1.00 0.00 C ATOM 145 NE ARG A 13 27.359 -11.992 -13.549 1.00 0.00 N ATOM 146 CZ ARG A 13 28.348 -11.149 -13.272 1.00 0.00 C ATOM 147 NH1 ARG A 13 29.114 -11.348 -12.208 1.00 0.00 N ATOM 148 NH2 ARG A 13 28.572 -10.105 -14.060 1.00 0.00 N ATOM 0 HA ARG A 13 22.930 -14.464 -12.285 1.00 0.00 H new ATOM 0 HB2 ARG A 13 24.241 -13.790 -14.321 1.00 0.00 H new ATOM 0 HB3 ARG A 13 24.597 -12.844 -12.890 1.00 0.00 H new ATOM 0 HG2 ARG A 13 26.366 -15.167 -13.111 1.00 0.00 H new ATOM 0 HG3 ARG A 13 26.442 -14.158 -14.542 1.00 0.00 H new ATOM 0 HD2 ARG A 13 26.534 -12.848 -11.827 1.00 0.00 H new ATOM 0 HD3 ARG A 13 27.971 -13.651 -12.429 1.00 0.00 H new ATOM 0 HE ARG A 13 26.788 -11.811 -14.374 1.00 0.00 H new ATOM 0 HH11 ARG A 13 28.945 -12.150 -11.600 1.00 0.00 H new ATOM 0 HH12 ARG A 13 29.873 -10.700 -11.997 1.00 0.00 H new ATOM 0 HH21 ARG A 13 27.985 -9.949 -14.879 1.00 0.00 H new ATOM 0 HH22 ARG A 13 29.331 -9.458 -13.846 1.00 0.00 H new ATOM 162 N THR A 14 24.725 -17.094 -12.921 1.00 0.00 N ATOM 163 CA THR A 14 24.724 -18.403 -13.561 1.00 0.00 C ATOM 164 C THR A 14 24.968 -19.513 -12.544 1.00 0.00 C ATOM 165 O THR A 14 25.382 -19.253 -11.414 1.00 0.00 O ATOM 166 CB THR A 14 25.795 -18.490 -14.665 1.00 0.00 C ATOM 167 OG1 THR A 14 27.098 -18.575 -14.077 1.00 0.00 O ATOM 168 CG2 THR A 14 25.725 -17.279 -15.583 1.00 0.00 C ATOM 0 H THR A 14 25.473 -16.958 -12.241 1.00 0.00 H new ATOM 0 HA THR A 14 23.739 -18.534 -14.009 1.00 0.00 H new ATOM 0 HB THR A 14 25.605 -19.386 -15.256 1.00 0.00 H new ATOM 0 HG1 THR A 14 27.773 -18.632 -14.785 1.00 0.00 H new ATOM 0 HG21 THR A 14 26.490 -17.363 -16.354 1.00 0.00 H new ATOM 0 HG22 THR A 14 24.742 -17.234 -16.051 1.00 0.00 H new ATOM 0 HG23 THR A 14 25.893 -16.372 -15.002 1.00 0.00 H new ATOM 176 N VAL A 15 24.709 -20.751 -12.952 1.00 0.00 N ATOM 177 CA VAL A 15 24.902 -21.901 -12.077 1.00 0.00 C ATOM 178 C VAL A 15 26.378 -22.103 -11.753 1.00 0.00 C ATOM 179 O VAL A 15 26.725 -22.684 -10.725 1.00 0.00 O ATOM 180 CB VAL A 15 24.346 -23.189 -12.711 1.00 0.00 C ATOM 181 CG1 VAL A 15 24.591 -24.382 -11.800 1.00 0.00 C ATOM 182 CG2 VAL A 15 22.864 -23.036 -13.016 1.00 0.00 C ATOM 0 H VAL A 15 24.365 -20.983 -13.884 1.00 0.00 H new ATOM 0 HA VAL A 15 24.356 -21.693 -11.157 1.00 0.00 H new ATOM 0 HB VAL A 15 24.870 -23.366 -13.650 1.00 0.00 H new ATOM 0 HG11 VAL A 15 24.191 -25.283 -12.265 1.00 0.00 H new ATOM 0 HG12 VAL A 15 25.662 -24.502 -11.638 1.00 0.00 H new ATOM 0 HG13 VAL A 15 24.096 -24.217 -10.843 1.00 0.00 H new ATOM 0 HG21 VAL A 15 22.488 -23.956 -13.464 1.00 0.00 H new ATOM 0 HG22 VAL A 15 22.321 -22.834 -12.093 1.00 0.00 H new ATOM 0 HG23 VAL A 15 22.719 -22.209 -13.711 1.00 0.00 H new ATOM 192 N SER A 16 27.244 -21.618 -12.637 1.00 0.00 N ATOM 193 CA SER A 16 28.684 -21.748 -12.447 1.00 0.00 C ATOM 194 C SER A 16 29.143 -20.967 -11.220 1.00 0.00 C ATOM 195 O SER A 16 29.569 -21.550 -10.224 1.00 0.00 O ATOM 196 CB SER A 16 29.430 -21.254 -13.688 1.00 0.00 C ATOM 197 OG SER A 16 30.638 -20.604 -13.332 1.00 0.00 O ATOM 0 H SER A 16 26.974 -21.132 -13.492 1.00 0.00 H new ATOM 0 HA SER A 16 28.911 -22.803 -12.291 1.00 0.00 H new ATOM 0 HB2 SER A 16 29.647 -22.096 -14.345 1.00 0.00 H new ATOM 0 HB3 SER A 16 28.795 -20.567 -14.248 1.00 0.00 H new ATOM 0 HG SER A 16 31.097 -20.299 -14.143 1.00 0.00 H new ATOM 203 N GLU A 17 29.052 -19.643 -11.300 1.00 0.00 N ATOM 204 CA GLU A 17 29.459 -18.781 -10.197 1.00 0.00 C ATOM 205 C GLU A 17 28.796 -19.218 -8.893 1.00 0.00 C ATOM 206 O GLU A 17 29.356 -19.044 -7.811 1.00 0.00 O ATOM 207 CB GLU A 17 29.103 -17.324 -10.500 1.00 0.00 C ATOM 208 CG GLU A 17 29.695 -16.811 -11.801 1.00 0.00 C ATOM 209 CD GLU A 17 30.955 -15.994 -11.587 1.00 0.00 C ATOM 210 OE1 GLU A 17 30.853 -14.881 -11.030 1.00 0.00 O ATOM 211 OE2 GLU A 17 32.042 -16.469 -11.977 1.00 0.00 O ATOM 0 H GLU A 17 28.700 -19.144 -12.117 1.00 0.00 H new ATOM 0 HA GLU A 17 30.540 -18.866 -10.082 1.00 0.00 H new ATOM 0 HB2 GLU A 17 28.018 -17.225 -10.540 1.00 0.00 H new ATOM 0 HB3 GLU A 17 29.451 -16.696 -9.680 1.00 0.00 H new ATOM 0 HG2 GLU A 17 29.921 -17.656 -12.451 1.00 0.00 H new ATOM 0 HG3 GLU A 17 28.954 -16.201 -12.317 1.00 0.00 H new ATOM 218 N TRP A 18 27.600 -19.784 -9.005 1.00 0.00 N ATOM 219 CA TRP A 18 26.860 -20.245 -7.836 1.00 0.00 C ATOM 220 C TRP A 18 27.542 -21.452 -7.201 1.00 0.00 C ATOM 221 O TRP A 18 27.780 -21.478 -5.993 1.00 0.00 O ATOM 222 CB TRP A 18 25.424 -20.601 -8.224 1.00 0.00 C ATOM 223 CG TRP A 18 24.665 -21.286 -7.128 1.00 0.00 C ATOM 224 CD1 TRP A 18 24.323 -20.760 -5.915 1.00 0.00 C ATOM 225 CD2 TRP A 18 24.157 -22.624 -7.144 1.00 0.00 C ATOM 226 NE1 TRP A 18 23.632 -21.690 -5.177 1.00 0.00 N ATOM 227 CE2 TRP A 18 23.516 -22.842 -5.909 1.00 0.00 C ATOM 228 CE3 TRP A 18 24.178 -23.659 -8.083 1.00 0.00 C ATOM 229 CZ2 TRP A 18 22.906 -24.052 -5.590 1.00 0.00 C ATOM 230 CZ3 TRP A 18 23.572 -24.860 -7.765 1.00 0.00 C ATOM 231 CH2 TRP A 18 22.942 -25.048 -6.528 1.00 0.00 C ATOM 0 H TRP A 18 27.122 -19.935 -9.893 1.00 0.00 H new ATOM 0 HA TRP A 18 26.842 -19.436 -7.106 1.00 0.00 H new ATOM 0 HB2 TRP A 18 24.896 -19.691 -8.508 1.00 0.00 H new ATOM 0 HB3 TRP A 18 25.442 -21.246 -9.102 1.00 0.00 H new ATOM 0 HD1 TRP A 18 24.561 -19.760 -5.584 1.00 0.00 H new ATOM 0 HE1 TRP A 18 23.265 -21.546 -4.236 1.00 0.00 H new ATOM 0 HE3 TRP A 18 24.659 -23.523 -9.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 22.422 -24.200 -4.636 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 23.584 -25.667 -8.482 1.00 0.00 H new ATOM 0 HH2 TRP A 18 22.476 -25.997 -6.310 1.00 0.00 H new ATOM 242 N LEU A 19 27.854 -22.449 -8.021 1.00 0.00 N ATOM 243 CA LEU A 19 28.510 -23.659 -7.538 1.00 0.00 C ATOM 244 C LEU A 19 29.938 -23.364 -7.092 1.00 0.00 C ATOM 245 O LEU A 19 30.367 -23.799 -6.024 1.00 0.00 O ATOM 246 CB LEU A 19 28.516 -24.730 -8.631 1.00 0.00 C ATOM 247 CG LEU A 19 27.279 -25.626 -8.700 1.00 0.00 C ATOM 248 CD1 LEU A 19 27.273 -26.429 -9.991 1.00 0.00 C ATOM 249 CD2 LEU A 19 27.223 -26.551 -7.493 1.00 0.00 C ATOM 0 H LEU A 19 27.664 -22.444 -9.023 1.00 0.00 H new ATOM 0 HA LEU A 19 27.950 -24.028 -6.679 1.00 0.00 H new ATOM 0 HB2 LEU A 19 28.636 -24.236 -9.595 1.00 0.00 H new ATOM 0 HB3 LEU A 19 29.391 -25.363 -8.486 1.00 0.00 H new ATOM 0 HG LEU A 19 26.393 -24.992 -8.688 1.00 0.00 H new ATOM 0 HD11 LEU A 19 26.385 -27.061 -10.022 1.00 0.00 H new ATOM 0 HD12 LEU A 19 27.265 -25.749 -10.843 1.00 0.00 H new ATOM 0 HD13 LEU A 19 28.165 -27.054 -10.035 1.00 0.00 H new ATOM 0 HD21 LEU A 19 26.336 -27.181 -7.559 1.00 0.00 H new ATOM 0 HD22 LEU A 19 28.114 -27.179 -7.474 1.00 0.00 H new ATOM 0 HD23 LEU A 19 27.179 -25.956 -6.581 1.00 0.00 H new ATOM 261 N GLU A 20 30.669 -22.620 -7.917 1.00 0.00 N ATOM 262 CA GLU A 20 32.048 -22.266 -7.605 1.00 0.00 C ATOM 263 C GLU A 20 32.152 -21.657 -6.209 1.00 0.00 C ATOM 264 O GLU A 20 33.173 -21.793 -5.535 1.00 0.00 O ATOM 265 CB GLU A 20 32.593 -21.283 -8.644 1.00 0.00 C ATOM 266 CG GLU A 20 32.453 -21.771 -10.076 1.00 0.00 C ATOM 267 CD GLU A 20 33.793 -21.952 -10.763 1.00 0.00 C ATOM 268 OE1 GLU A 20 34.720 -21.169 -10.473 1.00 0.00 O ATOM 269 OE2 GLU A 20 33.913 -22.879 -11.592 1.00 0.00 O ATOM 0 H GLU A 20 30.329 -22.251 -8.805 1.00 0.00 H new ATOM 0 HA GLU A 20 32.644 -23.178 -7.630 1.00 0.00 H new ATOM 0 HB2 GLU A 20 32.071 -20.332 -8.541 1.00 0.00 H new ATOM 0 HB3 GLU A 20 33.646 -21.093 -8.435 1.00 0.00 H new ATOM 0 HG2 GLU A 20 31.915 -22.719 -10.082 1.00 0.00 H new ATOM 0 HG3 GLU A 20 31.852 -21.059 -10.642 1.00 0.00 H new ATOM 276 N SER A 21 31.088 -20.985 -5.783 1.00 0.00 N ATOM 277 CA SER A 21 31.059 -20.351 -4.470 1.00 0.00 C ATOM 278 C SER A 21 31.060 -21.398 -3.361 1.00 0.00 C ATOM 279 O SER A 21 31.680 -21.209 -2.314 1.00 0.00 O ATOM 280 CB SER A 21 29.827 -19.454 -4.340 1.00 0.00 C ATOM 281 OG SER A 21 28.801 -20.101 -3.607 1.00 0.00 O ATOM 0 H SER A 21 30.234 -20.865 -6.328 1.00 0.00 H new ATOM 0 HA SER A 21 31.956 -19.740 -4.369 1.00 0.00 H new ATOM 0 HB2 SER A 21 30.102 -18.523 -3.844 1.00 0.00 H new ATOM 0 HB3 SER A 21 29.459 -19.190 -5.331 1.00 0.00 H new ATOM 0 HG SER A 21 28.263 -20.651 -4.214 1.00 0.00 H new ATOM 287 N ILE A 22 30.360 -22.503 -3.599 1.00 0.00 N ATOM 288 CA ILE A 22 30.280 -23.581 -2.622 1.00 0.00 C ATOM 289 C ILE A 22 31.269 -24.695 -2.950 1.00 0.00 C ATOM 290 O ILE A 22 31.112 -25.831 -2.502 1.00 0.00 O ATOM 291 CB ILE A 22 28.860 -24.174 -2.552 1.00 0.00 C ATOM 292 CG1 ILE A 22 28.455 -24.742 -3.914 1.00 0.00 C ATOM 293 CG2 ILE A 22 27.866 -23.116 -2.096 1.00 0.00 C ATOM 294 CD1 ILE A 22 27.074 -25.360 -3.924 1.00 0.00 C ATOM 0 H ILE A 22 29.841 -22.674 -4.460 1.00 0.00 H new ATOM 0 HA ILE A 22 30.532 -23.148 -1.654 1.00 0.00 H new ATOM 0 HB ILE A 22 28.856 -24.986 -1.824 1.00 0.00 H new ATOM 0 HG12 ILE A 22 28.493 -23.945 -4.657 1.00 0.00 H new ATOM 0 HG13 ILE A 22 29.183 -25.495 -4.216 1.00 0.00 H new ATOM 0 HG21 ILE A 22 26.867 -23.550 -2.052 1.00 0.00 H new ATOM 0 HG22 ILE A 22 28.148 -22.753 -1.108 1.00 0.00 H new ATOM 0 HG23 ILE A 22 27.869 -22.285 -2.802 1.00 0.00 H new ATOM 0 HD11 ILE A 22 26.853 -25.742 -4.921 1.00 0.00 H new ATOM 0 HD12 ILE A 22 27.037 -26.179 -3.205 1.00 0.00 H new ATOM 0 HD13 ILE A 22 26.336 -24.605 -3.653 1.00 0.00 H new ATOM 306 N LYS A 23 32.289 -24.361 -3.733 1.00 0.00 N ATOM 307 CA LYS A 23 33.306 -25.331 -4.120 1.00 0.00 C ATOM 308 C LYS A 23 32.667 -26.589 -4.700 1.00 0.00 C ATOM 309 O LYS A 23 32.998 -27.705 -4.302 1.00 0.00 O ATOM 310 CB LYS A 23 34.175 -25.698 -2.914 1.00 0.00 C ATOM 311 CG LYS A 23 35.203 -24.638 -2.560 1.00 0.00 C ATOM 312 CD LYS A 23 36.440 -24.746 -3.436 1.00 0.00 C ATOM 313 CE LYS A 23 37.712 -24.520 -2.634 1.00 0.00 C ATOM 314 NZ LYS A 23 38.088 -23.080 -2.585 1.00 0.00 N ATOM 0 H LYS A 23 32.433 -23.425 -4.112 1.00 0.00 H new ATOM 0 HA LYS A 23 33.932 -24.876 -4.888 1.00 0.00 H new ATOM 0 HB2 LYS A 23 33.531 -25.870 -2.052 1.00 0.00 H new ATOM 0 HB3 LYS A 23 34.689 -26.637 -3.120 1.00 0.00 H new ATOM 0 HG2 LYS A 23 34.761 -23.648 -2.674 1.00 0.00 H new ATOM 0 HG3 LYS A 23 35.487 -24.741 -1.513 1.00 0.00 H new ATOM 0 HD2 LYS A 23 36.472 -25.731 -3.902 1.00 0.00 H new ATOM 0 HD3 LYS A 23 36.382 -24.014 -4.242 1.00 0.00 H new ATOM 0 HE2 LYS A 23 37.573 -24.894 -1.620 1.00 0.00 H new ATOM 0 HE3 LYS A 23 38.527 -25.093 -3.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 38.960 -22.968 -2.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 38.246 -22.729 -3.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 37.321 -22.536 -2.140 1.00 0.00 H new ATOM 328 N MET A 24 31.750 -26.399 -5.644 1.00 0.00 N ATOM 329 CA MET A 24 31.067 -27.519 -6.281 1.00 0.00 C ATOM 330 C MET A 24 30.923 -27.285 -7.782 1.00 0.00 C ATOM 331 O MET A 24 30.018 -27.824 -8.418 1.00 0.00 O ATOM 332 CB MET A 24 29.689 -27.728 -5.651 1.00 0.00 C ATOM 333 CG MET A 24 29.745 -28.117 -4.183 1.00 0.00 C ATOM 334 SD MET A 24 29.751 -29.904 -3.938 1.00 0.00 S ATOM 335 CE MET A 24 31.405 -30.151 -3.296 1.00 0.00 C ATOM 0 H MET A 24 31.463 -25.481 -5.984 1.00 0.00 H new ATOM 0 HA MET A 24 31.669 -28.415 -6.127 1.00 0.00 H new ATOM 0 HB2 MET A 24 29.109 -26.811 -5.754 1.00 0.00 H new ATOM 0 HB3 MET A 24 29.160 -28.504 -6.204 1.00 0.00 H new ATOM 0 HG2 MET A 24 30.640 -27.689 -3.732 1.00 0.00 H new ATOM 0 HG3 MET A 24 28.889 -27.686 -3.664 1.00 0.00 H new ATOM 0 HE1 MET A 24 31.373 -30.864 -2.472 1.00 0.00 H new ATOM 0 HE2 MET A 24 32.048 -30.538 -4.086 1.00 0.00 H new ATOM 0 HE3 MET A 24 31.802 -29.201 -2.938 1.00 0.00 H new ATOM 345 N GLN A 25 31.821 -26.479 -8.340 1.00 0.00 N ATOM 346 CA GLN A 25 31.791 -26.174 -9.765 1.00 0.00 C ATOM 347 C GLN A 25 31.976 -27.440 -10.596 1.00 0.00 C ATOM 348 O GLN A 25 31.558 -27.500 -11.753 1.00 0.00 O ATOM 349 CB GLN A 25 32.880 -25.158 -10.114 1.00 0.00 C ATOM 350 CG GLN A 25 34.282 -25.747 -10.123 1.00 0.00 C ATOM 351 CD GLN A 25 35.361 -24.687 -10.022 1.00 0.00 C ATOM 352 OE1 GLN A 25 36.086 -24.430 -10.983 1.00 0.00 O ATOM 353 NE2 GLN A 25 35.473 -24.065 -8.854 1.00 0.00 N ATOM 0 H GLN A 25 32.577 -26.026 -7.827 1.00 0.00 H new ATOM 0 HA GLN A 25 30.816 -25.746 -9.999 1.00 0.00 H new ATOM 0 HB2 GLN A 25 32.667 -24.733 -11.095 1.00 0.00 H new ATOM 0 HB3 GLN A 25 32.844 -24.338 -9.396 1.00 0.00 H new ATOM 0 HG2 GLN A 25 34.384 -26.444 -9.292 1.00 0.00 H new ATOM 0 HG3 GLN A 25 34.425 -26.320 -11.039 1.00 0.00 H new ATOM 0 HE21 GLN A 25 34.851 -24.310 -8.084 1.00 0.00 H new ATOM 0 HE22 GLN A 25 36.181 -23.342 -8.727 1.00 0.00 H new ATOM 362 N GLN A 26 32.604 -28.448 -9.999 1.00 0.00 N ATOM 363 CA GLN A 26 32.844 -29.711 -10.686 1.00 0.00 C ATOM 364 C GLN A 26 31.529 -30.411 -11.015 1.00 0.00 C ATOM 365 O GLN A 26 31.461 -31.227 -11.934 1.00 0.00 O ATOM 366 CB GLN A 26 33.719 -30.625 -9.826 1.00 0.00 C ATOM 367 CG GLN A 26 33.021 -31.139 -8.578 1.00 0.00 C ATOM 368 CD GLN A 26 33.972 -31.330 -7.414 1.00 0.00 C ATOM 369 OE1 GLN A 26 35.189 -31.216 -7.566 1.00 0.00 O ATOM 370 NE2 GLN A 26 33.422 -31.622 -6.241 1.00 0.00 N ATOM 0 H GLN A 26 32.955 -28.414 -9.042 1.00 0.00 H new ATOM 0 HA GLN A 26 33.363 -29.494 -11.620 1.00 0.00 H new ATOM 0 HB2 GLN A 26 34.042 -31.475 -10.427 1.00 0.00 H new ATOM 0 HB3 GLN A 26 34.617 -30.082 -9.532 1.00 0.00 H new ATOM 0 HG2 GLN A 26 32.237 -30.438 -8.290 1.00 0.00 H new ATOM 0 HG3 GLN A 26 32.534 -32.088 -8.804 1.00 0.00 H new ATOM 0 HE21 GLN A 26 32.409 -31.707 -6.160 1.00 0.00 H new ATOM 0 HE22 GLN A 26 34.013 -31.761 -5.421 1.00 0.00 H new ATOM 379 N TYR A 27 30.486 -30.085 -10.259 1.00 0.00 N ATOM 380 CA TYR A 27 29.174 -30.684 -10.468 1.00 0.00 C ATOM 381 C TYR A 27 28.372 -29.894 -11.498 1.00 0.00 C ATOM 382 O TYR A 27 27.354 -30.366 -12.007 1.00 0.00 O ATOM 383 CB TYR A 27 28.404 -30.751 -9.148 1.00 0.00 C ATOM 384 CG TYR A 27 28.791 -31.926 -8.280 1.00 0.00 C ATOM 385 CD1 TYR A 27 28.824 -33.215 -8.795 1.00 0.00 C ATOM 386 CD2 TYR A 27 29.126 -31.746 -6.943 1.00 0.00 C ATOM 387 CE1 TYR A 27 29.177 -34.292 -8.005 1.00 0.00 C ATOM 388 CE2 TYR A 27 29.481 -32.817 -6.145 1.00 0.00 C ATOM 389 CZ TYR A 27 29.505 -34.088 -6.681 1.00 0.00 C ATOM 390 OH TYR A 27 29.858 -35.157 -5.891 1.00 0.00 O ATOM 0 H TYR A 27 30.524 -29.409 -9.496 1.00 0.00 H new ATOM 0 HA TYR A 27 29.321 -31.695 -10.847 1.00 0.00 H new ATOM 0 HB2 TYR A 27 28.572 -29.829 -8.592 1.00 0.00 H new ATOM 0 HB3 TYR A 27 27.337 -30.804 -9.362 1.00 0.00 H new ATOM 0 HD1 TYR A 27 28.569 -33.379 -9.832 1.00 0.00 H new ATOM 0 HD2 TYR A 27 29.109 -30.752 -6.521 1.00 0.00 H new ATOM 0 HE1 TYR A 27 29.196 -35.288 -8.422 1.00 0.00 H new ATOM 0 HE2 TYR A 27 29.738 -32.660 -5.108 1.00 0.00 H new ATOM 0 HH TYR A 27 30.060 -34.842 -4.985 1.00 0.00 H new ATOM 400 N THR A 28 28.839 -28.687 -11.803 1.00 0.00 N ATOM 401 CA THR A 28 28.168 -27.830 -12.771 1.00 0.00 C ATOM 402 C THR A 28 27.908 -28.573 -14.077 1.00 0.00 C ATOM 403 O THR A 28 26.867 -28.392 -14.708 1.00 0.00 O ATOM 404 CB THR A 28 28.994 -26.564 -13.069 1.00 0.00 C ATOM 405 OG1 THR A 28 29.454 -25.980 -11.846 1.00 0.00 O ATOM 406 CG2 THR A 28 28.168 -25.548 -13.843 1.00 0.00 C ATOM 0 H THR A 28 29.680 -28.281 -11.393 1.00 0.00 H new ATOM 0 HA THR A 28 27.216 -27.538 -12.327 1.00 0.00 H new ATOM 0 HB THR A 28 29.851 -26.852 -13.678 1.00 0.00 H new ATOM 0 HG1 THR A 28 29.980 -25.177 -12.044 1.00 0.00 H new ATOM 0 HG21 THR A 28 28.773 -24.663 -14.042 1.00 0.00 H new ATOM 0 HG22 THR A 28 27.844 -25.986 -14.787 1.00 0.00 H new ATOM 0 HG23 THR A 28 27.294 -25.266 -13.256 1.00 0.00 H new ATOM 414 N GLU A 29 28.861 -29.410 -14.475 1.00 0.00 N ATOM 415 CA GLU A 29 28.734 -30.180 -15.707 1.00 0.00 C ATOM 416 C GLU A 29 27.520 -31.103 -15.648 1.00 0.00 C ATOM 417 O GLU A 29 26.869 -31.355 -16.663 1.00 0.00 O ATOM 418 CB GLU A 29 30.001 -31.002 -15.954 1.00 0.00 C ATOM 419 CG GLU A 29 31.265 -30.162 -16.031 1.00 0.00 C ATOM 420 CD GLU A 29 32.400 -30.739 -15.207 1.00 0.00 C ATOM 421 OE1 GLU A 29 32.899 -31.827 -15.566 1.00 0.00 O ATOM 422 OE2 GLU A 29 32.789 -30.104 -14.205 1.00 0.00 O ATOM 0 H GLU A 29 29.728 -29.572 -13.963 1.00 0.00 H new ATOM 0 HA GLU A 29 28.598 -29.479 -16.531 1.00 0.00 H new ATOM 0 HB2 GLU A 29 30.110 -31.735 -15.155 1.00 0.00 H new ATOM 0 HB3 GLU A 29 29.887 -31.559 -16.884 1.00 0.00 H new ATOM 0 HG2 GLU A 29 31.581 -30.082 -17.071 1.00 0.00 H new ATOM 0 HG3 GLU A 29 31.047 -29.152 -15.685 1.00 0.00 H new ATOM 429 N HIS A 30 27.221 -31.604 -14.454 1.00 0.00 N ATOM 430 CA HIS A 30 26.086 -32.499 -14.262 1.00 0.00 C ATOM 431 C HIS A 30 24.779 -31.714 -14.208 1.00 0.00 C ATOM 432 O HIS A 30 23.775 -32.118 -14.797 1.00 0.00 O ATOM 433 CB HIS A 30 26.260 -33.310 -12.978 1.00 0.00 C ATOM 434 CG HIS A 30 27.365 -34.319 -13.052 1.00 0.00 C ATOM 435 ND1 HIS A 30 28.630 -34.017 -13.510 1.00 0.00 N ATOM 436 CD2 HIS A 30 27.389 -35.631 -12.722 1.00 0.00 C ATOM 437 CE1 HIS A 30 29.384 -35.100 -13.460 1.00 0.00 C ATOM 438 NE2 HIS A 30 28.655 -36.094 -12.984 1.00 0.00 N ATOM 0 H HIS A 30 27.749 -31.405 -13.604 1.00 0.00 H new ATOM 0 HA HIS A 30 26.045 -33.181 -15.111 1.00 0.00 H new ATOM 0 HB2 HIS A 30 26.457 -32.628 -12.151 1.00 0.00 H new ATOM 0 HB3 HIS A 30 25.325 -33.823 -12.752 1.00 0.00 H new ATOM 0 HD2 HIS A 30 26.566 -36.207 -12.326 1.00 0.00 H new ATOM 0 HE1 HIS A 30 30.420 -35.163 -13.758 1.00 0.00 H new ATOM 0 HE2 HIS A 30 28.980 -37.049 -12.835 1.00 0.00 H new ATOM 446 N PHE A 31 24.797 -30.590 -13.499 1.00 0.00 N ATOM 447 CA PHE A 31 23.613 -29.749 -13.367 1.00 0.00 C ATOM 448 C PHE A 31 23.054 -29.378 -14.737 1.00 0.00 C ATOM 449 O PHE A 31 21.850 -29.472 -14.974 1.00 0.00 O ATOM 450 CB PHE A 31 23.948 -28.481 -12.579 1.00 0.00 C ATOM 451 CG PHE A 31 23.768 -28.632 -11.095 1.00 0.00 C ATOM 452 CD1 PHE A 31 22.548 -28.355 -10.500 1.00 0.00 C ATOM 453 CD2 PHE A 31 24.820 -29.050 -10.296 1.00 0.00 C ATOM 454 CE1 PHE A 31 22.380 -28.493 -9.135 1.00 0.00 C ATOM 455 CE2 PHE A 31 24.657 -29.191 -8.931 1.00 0.00 C ATOM 456 CZ PHE A 31 23.436 -28.911 -8.349 1.00 0.00 C ATOM 0 H PHE A 31 25.619 -30.240 -13.007 1.00 0.00 H new ATOM 0 HA PHE A 31 22.854 -30.315 -12.826 1.00 0.00 H new ATOM 0 HB2 PHE A 31 24.980 -28.197 -12.785 1.00 0.00 H new ATOM 0 HB3 PHE A 31 23.317 -27.666 -12.932 1.00 0.00 H new ATOM 0 HD1 PHE A 31 21.719 -28.028 -11.110 1.00 0.00 H new ATOM 0 HD2 PHE A 31 25.778 -29.268 -10.745 1.00 0.00 H new ATOM 0 HE1 PHE A 31 21.424 -28.274 -8.683 1.00 0.00 H new ATOM 0 HE2 PHE A 31 25.484 -29.520 -8.319 1.00 0.00 H new ATOM 0 HZ PHE A 31 23.307 -29.019 -7.282 1.00 0.00 H new ATOM 466 N MET A 32 23.938 -28.956 -15.635 1.00 0.00 N ATOM 467 CA MET A 32 23.533 -28.571 -16.982 1.00 0.00 C ATOM 468 C MET A 32 22.831 -29.725 -17.690 1.00 0.00 C ATOM 469 O MET A 32 21.696 -29.587 -18.146 1.00 0.00 O ATOM 470 CB MET A 32 24.750 -28.124 -17.795 1.00 0.00 C ATOM 471 CG MET A 32 25.445 -26.898 -17.225 1.00 0.00 C ATOM 472 SD MET A 32 25.296 -25.455 -18.296 1.00 0.00 S ATOM 473 CE MET A 32 25.302 -24.134 -17.087 1.00 0.00 C ATOM 0 H MET A 32 24.938 -28.872 -15.455 1.00 0.00 H new ATOM 0 HA MET A 32 22.833 -27.739 -16.900 1.00 0.00 H new ATOM 0 HB2 MET A 32 25.464 -28.946 -17.846 1.00 0.00 H new ATOM 0 HB3 MET A 32 24.436 -27.911 -18.817 1.00 0.00 H new ATOM 0 HG2 MET A 32 25.021 -26.666 -16.248 1.00 0.00 H new ATOM 0 HG3 MET A 32 26.500 -27.123 -17.069 1.00 0.00 H new ATOM 0 HE1 MET A 32 24.672 -23.316 -17.438 1.00 0.00 H new ATOM 0 HE2 MET A 32 24.916 -24.507 -16.138 1.00 0.00 H new ATOM 0 HE3 MET A 32 26.321 -23.773 -16.947 1.00 0.00 H new ATOM 483 N ALA A 33 23.512 -30.862 -17.777 1.00 0.00 N ATOM 484 CA ALA A 33 22.952 -32.040 -18.428 1.00 0.00 C ATOM 485 C ALA A 33 21.639 -32.457 -17.773 1.00 0.00 C ATOM 486 O ALA A 33 20.784 -33.069 -18.411 1.00 0.00 O ATOM 487 CB ALA A 33 23.950 -33.189 -18.390 1.00 0.00 C ATOM 0 H ALA A 33 24.453 -30.993 -17.405 1.00 0.00 H new ATOM 0 HA ALA A 33 22.745 -31.786 -19.468 1.00 0.00 H new ATOM 0 HB1 ALA A 33 23.519 -34.062 -18.880 1.00 0.00 H new ATOM 0 HB2 ALA A 33 24.862 -32.896 -18.909 1.00 0.00 H new ATOM 0 HB3 ALA A 33 24.185 -33.433 -17.354 1.00 0.00 H new ATOM 493 N ALA A 34 21.487 -32.121 -16.496 1.00 0.00 N ATOM 494 CA ALA A 34 20.278 -32.459 -15.756 1.00 0.00 C ATOM 495 C ALA A 34 19.140 -31.502 -16.097 1.00 0.00 C ATOM 496 O ALA A 34 17.966 -31.843 -15.957 1.00 0.00 O ATOM 497 CB ALA A 34 20.553 -32.442 -14.260 1.00 0.00 C ATOM 0 H ALA A 34 22.186 -31.615 -15.953 1.00 0.00 H new ATOM 0 HA ALA A 34 19.973 -33.464 -16.047 1.00 0.00 H new ATOM 0 HB1 ALA A 34 19.641 -32.696 -13.720 1.00 0.00 H new ATOM 0 HB2 ALA A 34 21.329 -33.170 -14.024 1.00 0.00 H new ATOM 0 HB3 ALA A 34 20.886 -31.448 -13.963 1.00 0.00 H new ATOM 503 N GLY A 35 19.496 -30.302 -16.546 1.00 0.00 N ATOM 504 CA GLY A 35 18.493 -29.315 -16.899 1.00 0.00 C ATOM 505 C GLY A 35 18.526 -28.103 -15.989 1.00 0.00 C ATOM 506 O GLY A 35 17.512 -27.431 -15.801 1.00 0.00 O ATOM 0 H GLY A 35 20.461 -29.996 -16.671 1.00 0.00 H new ATOM 0 HA2 GLY A 35 18.649 -28.996 -17.930 1.00 0.00 H new ATOM 0 HA3 GLY A 35 17.505 -29.773 -16.853 1.00 0.00 H new ATOM 510 N TYR A 36 19.694 -27.825 -15.420 1.00 0.00 N ATOM 511 CA TYR A 36 19.854 -26.688 -14.521 1.00 0.00 C ATOM 512 C TYR A 36 20.944 -25.746 -15.022 1.00 0.00 C ATOM 513 O TYR A 36 22.021 -25.653 -14.433 1.00 0.00 O ATOM 514 CB TYR A 36 20.192 -27.172 -13.109 1.00 0.00 C ATOM 515 CG TYR A 36 19.221 -28.199 -12.573 1.00 0.00 C ATOM 516 CD1 TYR A 36 17.849 -27.986 -12.633 1.00 0.00 C ATOM 517 CD2 TYR A 36 19.675 -29.383 -12.004 1.00 0.00 C ATOM 518 CE1 TYR A 36 16.958 -28.921 -12.143 1.00 0.00 C ATOM 519 CE2 TYR A 36 18.791 -30.325 -11.513 1.00 0.00 C ATOM 520 CZ TYR A 36 17.434 -30.089 -11.585 1.00 0.00 C ATOM 521 OH TYR A 36 16.551 -31.024 -11.096 1.00 0.00 O ATOM 0 H TYR A 36 20.543 -28.371 -15.565 1.00 0.00 H new ATOM 0 HA TYR A 36 18.911 -26.142 -14.495 1.00 0.00 H new ATOM 0 HB2 TYR A 36 21.195 -27.599 -13.111 1.00 0.00 H new ATOM 0 HB3 TYR A 36 20.211 -26.316 -12.435 1.00 0.00 H new ATOM 0 HD1 TYR A 36 17.473 -27.073 -13.071 1.00 0.00 H new ATOM 0 HD2 TYR A 36 20.737 -29.570 -11.945 1.00 0.00 H new ATOM 0 HE1 TYR A 36 15.895 -28.738 -12.197 1.00 0.00 H new ATOM 0 HE2 TYR A 36 19.161 -31.241 -11.075 1.00 0.00 H new ATOM 0 HH TYR A 36 15.809 -30.569 -10.646 1.00 0.00 H new ATOM 531 N THR A 37 20.655 -25.046 -16.115 1.00 0.00 N ATOM 532 CA THR A 37 21.609 -24.111 -16.698 1.00 0.00 C ATOM 533 C THR A 37 21.402 -22.703 -16.152 1.00 0.00 C ATOM 534 O THR A 37 22.323 -21.887 -16.148 1.00 0.00 O ATOM 535 CB THR A 37 21.495 -24.076 -18.233 1.00 0.00 C ATOM 536 OG1 THR A 37 20.272 -23.439 -18.619 1.00 0.00 O ATOM 537 CG2 THR A 37 21.545 -25.482 -18.812 1.00 0.00 C ATOM 0 H THR A 37 19.768 -25.109 -16.614 1.00 0.00 H new ATOM 0 HA THR A 37 22.604 -24.462 -16.423 1.00 0.00 H new ATOM 0 HB THR A 37 22.339 -23.509 -18.625 1.00 0.00 H new ATOM 0 HG1 THR A 37 20.208 -23.419 -19.597 1.00 0.00 H new ATOM 0 HG21 THR A 37 21.463 -25.432 -19.898 1.00 0.00 H new ATOM 0 HG22 THR A 37 22.490 -25.954 -18.541 1.00 0.00 H new ATOM 0 HG23 THR A 37 20.719 -26.070 -18.412 1.00 0.00 H new ATOM 545 N ALA A 38 20.187 -22.425 -15.691 1.00 0.00 N ATOM 546 CA ALA A 38 19.860 -21.115 -15.140 1.00 0.00 C ATOM 547 C ALA A 38 19.369 -21.232 -13.701 1.00 0.00 C ATOM 548 O ALA A 38 18.685 -22.193 -13.345 1.00 0.00 O ATOM 549 CB ALA A 38 18.813 -20.426 -16.003 1.00 0.00 C ATOM 0 H ALA A 38 19.413 -23.089 -15.688 1.00 0.00 H new ATOM 0 HA ALA A 38 20.768 -20.512 -15.138 1.00 0.00 H new ATOM 0 HB1 ALA A 38 18.578 -19.449 -15.580 1.00 0.00 H new ATOM 0 HB2 ALA A 38 19.200 -20.300 -17.014 1.00 0.00 H new ATOM 0 HB3 ALA A 38 17.909 -21.035 -16.034 1.00 0.00 H new ATOM 555 N ILE A 39 19.723 -20.251 -12.879 1.00 0.00 N ATOM 556 CA ILE A 39 19.317 -20.244 -11.478 1.00 0.00 C ATOM 557 C ILE A 39 17.801 -20.334 -11.345 1.00 0.00 C ATOM 558 O ILE A 39 17.284 -20.791 -10.326 1.00 0.00 O ATOM 559 CB ILE A 39 19.812 -18.978 -10.755 1.00 0.00 C ATOM 560 CG1 ILE A 39 21.327 -18.833 -10.912 1.00 0.00 C ATOM 561 CG2 ILE A 39 19.428 -19.025 -9.284 1.00 0.00 C ATOM 562 CD1 ILE A 39 22.109 -19.971 -10.294 1.00 0.00 C ATOM 0 H ILE A 39 20.290 -19.450 -13.158 1.00 0.00 H new ATOM 0 HA ILE A 39 19.772 -21.118 -11.013 1.00 0.00 H new ATOM 0 HB ILE A 39 19.335 -18.109 -11.208 1.00 0.00 H new ATOM 0 HG12 ILE A 39 21.570 -18.769 -11.973 1.00 0.00 H new ATOM 0 HG13 ILE A 39 21.644 -17.895 -10.456 1.00 0.00 H new ATOM 0 HG21 ILE A 39 19.785 -18.123 -8.786 1.00 0.00 H new ATOM 0 HG22 ILE A 39 18.343 -19.085 -9.193 1.00 0.00 H new ATOM 0 HG23 ILE A 39 19.880 -19.900 -8.818 1.00 0.00 H new ATOM 0 HD11 ILE A 39 23.176 -19.803 -10.443 1.00 0.00 H new ATOM 0 HD12 ILE A 39 21.895 -20.022 -9.226 1.00 0.00 H new ATOM 0 HD13 ILE A 39 21.821 -20.910 -10.767 1.00 0.00 H new ATOM 574 N GLU A 40 17.094 -19.894 -12.382 1.00 0.00 N ATOM 575 CA GLU A 40 15.636 -19.926 -12.379 1.00 0.00 C ATOM 576 C GLU A 40 15.123 -21.356 -12.237 1.00 0.00 C ATOM 577 O GLU A 40 14.041 -21.589 -11.699 1.00 0.00 O ATOM 578 CB GLU A 40 15.089 -19.302 -13.665 1.00 0.00 C ATOM 579 CG GLU A 40 15.742 -17.978 -14.025 1.00 0.00 C ATOM 580 CD GLU A 40 14.847 -17.099 -14.878 1.00 0.00 C ATOM 581 OE1 GLU A 40 13.662 -16.936 -14.522 1.00 0.00 O ATOM 582 OE2 GLU A 40 15.334 -16.575 -15.901 1.00 0.00 O ATOM 0 H GLU A 40 17.507 -19.512 -13.233 1.00 0.00 H new ATOM 0 HA GLU A 40 15.287 -19.347 -11.524 1.00 0.00 H new ATOM 0 HB2 GLU A 40 15.231 -20.003 -14.488 1.00 0.00 H new ATOM 0 HB3 GLU A 40 14.015 -19.150 -13.557 1.00 0.00 H new ATOM 0 HG2 GLU A 40 16.003 -17.445 -13.111 1.00 0.00 H new ATOM 0 HG3 GLU A 40 16.673 -18.169 -14.559 1.00 0.00 H new ATOM 589 N LYS A 41 15.908 -22.311 -12.724 1.00 0.00 N ATOM 590 CA LYS A 41 15.536 -23.719 -12.651 1.00 0.00 C ATOM 591 C LYS A 41 16.193 -24.394 -11.451 1.00 0.00 C ATOM 592 O LYS A 41 15.598 -25.261 -10.811 1.00 0.00 O ATOM 593 CB LYS A 41 15.938 -24.441 -13.939 1.00 0.00 C ATOM 594 CG LYS A 41 15.318 -23.843 -15.190 1.00 0.00 C ATOM 595 CD LYS A 41 16.380 -23.408 -16.186 1.00 0.00 C ATOM 596 CE LYS A 41 15.884 -22.274 -17.070 1.00 0.00 C ATOM 597 NZ LYS A 41 14.624 -22.633 -17.778 1.00 0.00 N ATOM 0 H LYS A 41 16.806 -22.135 -13.174 1.00 0.00 H new ATOM 0 HA LYS A 41 14.454 -23.778 -12.531 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.024 -24.418 -14.035 1.00 0.00 H new ATOM 0 HB3 LYS A 41 15.647 -25.489 -13.864 1.00 0.00 H new ATOM 0 HG2 LYS A 41 14.659 -24.575 -15.656 1.00 0.00 H new ATOM 0 HG3 LYS A 41 14.701 -22.987 -14.918 1.00 0.00 H new ATOM 0 HD2 LYS A 41 17.274 -23.089 -15.650 1.00 0.00 H new ATOM 0 HD3 LYS A 41 16.667 -24.256 -16.807 1.00 0.00 H new ATOM 0 HE2 LYS A 41 15.718 -21.385 -16.461 1.00 0.00 H new ATOM 0 HE3 LYS A 41 16.652 -22.021 -17.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.401 -21.901 -18.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.744 -23.549 -18.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.847 -22.701 -17.090 1.00 0.00 H new ATOM 611 N VAL A 42 17.423 -23.991 -11.151 1.00 0.00 N ATOM 612 CA VAL A 42 18.160 -24.555 -10.026 1.00 0.00 C ATOM 613 C VAL A 42 17.386 -24.388 -8.723 1.00 0.00 C ATOM 614 O VAL A 42 17.588 -25.139 -7.768 1.00 0.00 O ATOM 615 CB VAL A 42 19.545 -23.898 -9.876 1.00 0.00 C ATOM 616 CG1 VAL A 42 20.282 -24.473 -8.676 1.00 0.00 C ATOM 617 CG2 VAL A 42 20.359 -24.075 -11.148 1.00 0.00 C ATOM 0 H VAL A 42 17.931 -23.276 -11.671 1.00 0.00 H new ATOM 0 HA VAL A 42 18.291 -25.617 -10.234 1.00 0.00 H new ATOM 0 HB VAL A 42 19.405 -22.830 -9.708 1.00 0.00 H new ATOM 0 HG11 VAL A 42 21.258 -23.997 -8.586 1.00 0.00 H new ATOM 0 HG12 VAL A 42 19.703 -24.288 -7.771 1.00 0.00 H new ATOM 0 HG13 VAL A 42 20.413 -25.547 -8.810 1.00 0.00 H new ATOM 0 HG21 VAL A 42 21.334 -23.605 -11.024 1.00 0.00 H new ATOM 0 HG22 VAL A 42 20.492 -25.138 -11.350 1.00 0.00 H new ATOM 0 HG23 VAL A 42 19.835 -23.610 -11.983 1.00 0.00 H new ATOM 627 N VAL A 43 16.498 -23.399 -8.691 1.00 0.00 N ATOM 628 CA VAL A 43 15.692 -23.134 -7.506 1.00 0.00 C ATOM 629 C VAL A 43 14.475 -24.051 -7.452 1.00 0.00 C ATOM 630 O VAL A 43 13.931 -24.314 -6.380 1.00 0.00 O ATOM 631 CB VAL A 43 15.219 -21.669 -7.464 1.00 0.00 C ATOM 632 CG1 VAL A 43 16.410 -20.724 -7.416 1.00 0.00 C ATOM 633 CG2 VAL A 43 14.333 -21.362 -8.662 1.00 0.00 C ATOM 0 H VAL A 43 16.319 -22.768 -9.472 1.00 0.00 H new ATOM 0 HA VAL A 43 16.328 -23.327 -6.642 1.00 0.00 H new ATOM 0 HB VAL A 43 14.632 -21.521 -6.558 1.00 0.00 H new ATOM 0 HG11 VAL A 43 16.056 -19.694 -7.387 1.00 0.00 H new ATOM 0 HG12 VAL A 43 17.002 -20.930 -6.524 1.00 0.00 H new ATOM 0 HG13 VAL A 43 17.027 -20.871 -8.303 1.00 0.00 H new ATOM 0 HG21 VAL A 43 14.007 -20.323 -8.617 1.00 0.00 H new ATOM 0 HG22 VAL A 43 14.895 -21.527 -9.582 1.00 0.00 H new ATOM 0 HG23 VAL A 43 13.461 -22.016 -8.647 1.00 0.00 H new ATOM 643 N GLN A 44 14.055 -24.535 -8.617 1.00 0.00 N ATOM 644 CA GLN A 44 12.901 -25.424 -8.702 1.00 0.00 C ATOM 645 C GLN A 44 13.261 -26.829 -8.232 1.00 0.00 C ATOM 646 O GLN A 44 12.459 -27.502 -7.585 1.00 0.00 O ATOM 647 CB GLN A 44 12.374 -25.472 -10.137 1.00 0.00 C ATOM 648 CG GLN A 44 11.926 -24.120 -10.667 1.00 0.00 C ATOM 649 CD GLN A 44 10.862 -24.236 -11.740 1.00 0.00 C ATOM 650 OE1 GLN A 44 9.911 -25.007 -11.607 1.00 0.00 O ATOM 651 NE2 GLN A 44 11.017 -23.470 -12.813 1.00 0.00 N ATOM 0 H GLN A 44 14.495 -24.327 -9.513 1.00 0.00 H new ATOM 0 HA GLN A 44 12.122 -25.031 -8.049 1.00 0.00 H new ATOM 0 HB2 GLN A 44 13.153 -25.868 -10.788 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.536 -26.167 -10.184 1.00 0.00 H new ATOM 0 HG2 GLN A 44 11.541 -23.521 -9.842 1.00 0.00 H new ATOM 0 HG3 GLN A 44 12.788 -23.589 -11.071 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.820 -22.845 -12.882 1.00 0.00 H new ATOM 0 HE22 GLN A 44 10.333 -23.506 -13.569 1.00 0.00 H new ATOM 660 N MET A 45 14.472 -27.267 -8.562 1.00 0.00 N ATOM 661 CA MET A 45 14.938 -28.592 -8.172 1.00 0.00 C ATOM 662 C MET A 45 14.810 -28.792 -6.666 1.00 0.00 C ATOM 663 O MET A 45 14.916 -27.841 -5.891 1.00 0.00 O ATOM 664 CB MET A 45 16.392 -28.793 -8.604 1.00 0.00 C ATOM 665 CG MET A 45 17.390 -28.029 -7.749 1.00 0.00 C ATOM 666 SD MET A 45 18.470 -29.119 -6.803 1.00 0.00 S ATOM 667 CE MET A 45 19.410 -29.890 -8.118 1.00 0.00 C ATOM 0 H MET A 45 15.148 -26.723 -9.099 1.00 0.00 H new ATOM 0 HA MET A 45 14.313 -29.331 -8.673 1.00 0.00 H new ATOM 0 HB2 MET A 45 16.631 -29.856 -8.565 1.00 0.00 H new ATOM 0 HB3 MET A 45 16.501 -28.480 -9.642 1.00 0.00 H new ATOM 0 HG2 MET A 45 17.997 -27.389 -8.390 1.00 0.00 H new ATOM 0 HG3 MET A 45 16.850 -27.375 -7.064 1.00 0.00 H new ATOM 0 HE1 MET A 45 20.404 -30.146 -7.752 1.00 0.00 H new ATOM 0 HE2 MET A 45 18.900 -30.795 -8.447 1.00 0.00 H new ATOM 0 HE3 MET A 45 19.499 -29.198 -8.956 1.00 0.00 H new ATOM 677 N THR A 46 14.581 -30.036 -6.255 1.00 0.00 N ATOM 678 CA THR A 46 14.438 -30.360 -4.842 1.00 0.00 C ATOM 679 C THR A 46 15.667 -31.094 -4.318 1.00 0.00 C ATOM 680 O THR A 46 16.572 -31.431 -5.081 1.00 0.00 O ATOM 681 CB THR A 46 13.190 -31.227 -4.588 1.00 0.00 C ATOM 682 OG1 THR A 46 12.953 -31.345 -3.181 1.00 0.00 O ATOM 683 CG2 THR A 46 13.360 -32.611 -5.196 1.00 0.00 C ATOM 0 H THR A 46 14.491 -30.835 -6.882 1.00 0.00 H new ATOM 0 HA THR A 46 14.329 -29.414 -4.311 1.00 0.00 H new ATOM 0 HB THR A 46 12.336 -30.742 -5.060 1.00 0.00 H new ATOM 0 HG1 THR A 46 12.157 -31.896 -3.028 1.00 0.00 H new ATOM 0 HG21 THR A 46 12.467 -33.205 -5.004 1.00 0.00 H new ATOM 0 HG22 THR A 46 13.511 -32.520 -6.272 1.00 0.00 H new ATOM 0 HG23 THR A 46 14.225 -33.101 -4.749 1.00 0.00 H new ATOM 691 N ASN A 47 15.693 -31.339 -3.012 1.00 0.00 N ATOM 692 CA ASN A 47 16.813 -32.034 -2.387 1.00 0.00 C ATOM 693 C ASN A 47 17.116 -33.341 -3.113 1.00 0.00 C ATOM 694 O ASN A 47 18.277 -33.715 -3.280 1.00 0.00 O ATOM 695 CB ASN A 47 16.507 -32.314 -0.914 1.00 0.00 C ATOM 696 CG ASN A 47 15.996 -31.086 -0.186 1.00 0.00 C ATOM 697 OD1 ASN A 47 14.793 -30.935 0.030 1.00 0.00 O ATOM 698 ND2 ASN A 47 16.910 -30.202 0.197 1.00 0.00 N ATOM 0 H ASN A 47 14.952 -31.067 -2.366 1.00 0.00 H new ATOM 0 HA ASN A 47 17.691 -31.391 -2.453 1.00 0.00 H new ATOM 0 HB2 ASN A 47 15.765 -33.109 -0.845 1.00 0.00 H new ATOM 0 HB3 ASN A 47 17.409 -32.676 -0.421 1.00 0.00 H new ATOM 0 HD21 ASN A 47 16.626 -29.356 0.692 1.00 0.00 H new ATOM 0 HD22 ASN A 47 17.896 -30.369 -0.003 1.00 0.00 H new ATOM 705 N ASP A 48 16.065 -34.030 -3.542 1.00 0.00 N ATOM 706 CA ASP A 48 16.218 -35.295 -4.252 1.00 0.00 C ATOM 707 C ASP A 48 16.971 -35.094 -5.563 1.00 0.00 C ATOM 708 O ASP A 48 17.818 -35.906 -5.934 1.00 0.00 O ATOM 709 CB ASP A 48 14.849 -35.919 -4.526 1.00 0.00 C ATOM 710 CG ASP A 48 14.950 -37.365 -4.971 1.00 0.00 C ATOM 711 OD1 ASP A 48 15.319 -37.601 -6.140 1.00 0.00 O ATOM 712 OD2 ASP A 48 14.660 -38.260 -4.149 1.00 0.00 O ATOM 0 H ASP A 48 15.098 -33.734 -3.411 1.00 0.00 H new ATOM 0 HA ASP A 48 16.796 -35.970 -3.621 1.00 0.00 H new ATOM 0 HB2 ASP A 48 14.240 -35.861 -3.624 1.00 0.00 H new ATOM 0 HB3 ASP A 48 14.337 -35.340 -5.295 1.00 0.00 H new ATOM 717 N ASP A 49 16.655 -34.009 -6.261 1.00 0.00 N ATOM 718 CA ASP A 49 17.302 -33.701 -7.531 1.00 0.00 C ATOM 719 C ASP A 49 18.813 -33.582 -7.357 1.00 0.00 C ATOM 720 O ASP A 49 19.579 -33.870 -8.277 1.00 0.00 O ATOM 721 CB ASP A 49 16.739 -32.403 -8.113 1.00 0.00 C ATOM 722 CG ASP A 49 15.265 -32.511 -8.450 1.00 0.00 C ATOM 723 OD1 ASP A 49 14.649 -33.536 -8.092 1.00 0.00 O ATOM 724 OD2 ASP A 49 14.728 -31.570 -9.071 1.00 0.00 O ATOM 0 H ASP A 49 15.954 -33.328 -5.969 1.00 0.00 H new ATOM 0 HA ASP A 49 17.098 -34.519 -8.222 1.00 0.00 H new ATOM 0 HB2 ASP A 49 16.887 -31.594 -7.398 1.00 0.00 H new ATOM 0 HB3 ASP A 49 17.296 -32.140 -9.012 1.00 0.00 H new ATOM 729 N VAL A 50 19.235 -33.156 -6.171 1.00 0.00 N ATOM 730 CA VAL A 50 20.654 -32.998 -5.876 1.00 0.00 C ATOM 731 C VAL A 50 21.365 -34.347 -5.861 1.00 0.00 C ATOM 732 O VAL A 50 22.580 -34.423 -6.043 1.00 0.00 O ATOM 733 CB VAL A 50 20.871 -32.301 -4.520 1.00 0.00 C ATOM 734 CG1 VAL A 50 22.357 -32.175 -4.216 1.00 0.00 C ATOM 735 CG2 VAL A 50 20.199 -30.937 -4.509 1.00 0.00 C ATOM 0 H VAL A 50 18.614 -32.914 -5.399 1.00 0.00 H new ATOM 0 HA VAL A 50 21.075 -32.377 -6.667 1.00 0.00 H new ATOM 0 HB VAL A 50 20.415 -32.911 -3.740 1.00 0.00 H new ATOM 0 HG11 VAL A 50 22.491 -31.680 -3.254 1.00 0.00 H new ATOM 0 HG12 VAL A 50 22.806 -33.167 -4.179 1.00 0.00 H new ATOM 0 HG13 VAL A 50 22.840 -31.587 -4.997 1.00 0.00 H new ATOM 0 HG21 VAL A 50 20.362 -30.459 -3.543 1.00 0.00 H new ATOM 0 HG22 VAL A 50 20.623 -30.316 -5.298 1.00 0.00 H new ATOM 0 HG23 VAL A 50 19.129 -31.057 -4.678 1.00 0.00 H new ATOM 745 N LYS A 51 20.599 -35.411 -5.645 1.00 0.00 N ATOM 746 CA LYS A 51 21.154 -36.759 -5.608 1.00 0.00 C ATOM 747 C LYS A 51 21.063 -37.422 -6.978 1.00 0.00 C ATOM 748 O LYS A 51 21.819 -38.344 -7.283 1.00 0.00 O ATOM 749 CB LYS A 51 20.418 -37.607 -4.569 1.00 0.00 C ATOM 750 CG LYS A 51 20.631 -37.140 -3.140 1.00 0.00 C ATOM 751 CD LYS A 51 20.165 -38.182 -2.137 1.00 0.00 C ATOM 752 CE LYS A 51 21.036 -39.427 -2.181 1.00 0.00 C ATOM 753 NZ LYS A 51 20.338 -40.569 -2.834 1.00 0.00 N ATOM 0 H LYS A 51 19.591 -35.366 -5.493 1.00 0.00 H new ATOM 0 HA LYS A 51 22.205 -36.685 -5.329 1.00 0.00 H new ATOM 0 HB2 LYS A 51 19.351 -37.593 -4.791 1.00 0.00 H new ATOM 0 HB3 LYS A 51 20.749 -38.642 -4.657 1.00 0.00 H new ATOM 0 HG2 LYS A 51 21.688 -36.927 -2.980 1.00 0.00 H new ATOM 0 HG3 LYS A 51 20.089 -36.208 -2.976 1.00 0.00 H new ATOM 0 HD2 LYS A 51 20.186 -37.757 -1.133 1.00 0.00 H new ATOM 0 HD3 LYS A 51 19.130 -38.453 -2.347 1.00 0.00 H new ATOM 0 HE2 LYS A 51 21.957 -39.207 -2.721 1.00 0.00 H new ATOM 0 HE3 LYS A 51 21.321 -39.707 -1.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 21.040 -41.210 -3.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 19.779 -41.085 -2.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 19.707 -40.210 -3.579 1.00 0.00 H new ATOM 767 N ARG A 52 20.134 -36.946 -7.801 1.00 0.00 N ATOM 768 CA ARG A 52 19.945 -37.493 -9.139 1.00 0.00 C ATOM 769 C ARG A 52 20.958 -36.903 -10.116 1.00 0.00 C ATOM 770 O ARG A 52 21.379 -37.565 -11.065 1.00 0.00 O ATOM 771 CB ARG A 52 18.524 -37.214 -9.631 1.00 0.00 C ATOM 772 CG ARG A 52 18.225 -37.809 -10.997 1.00 0.00 C ATOM 773 CD ARG A 52 16.731 -37.820 -11.285 1.00 0.00 C ATOM 774 NE ARG A 52 16.072 -38.991 -10.713 1.00 0.00 N ATOM 775 CZ ARG A 52 14.754 -39.153 -10.689 1.00 0.00 C ATOM 776 NH1 ARG A 52 13.959 -38.225 -11.202 1.00 0.00 N ATOM 777 NH2 ARG A 52 14.229 -40.247 -10.150 1.00 0.00 N ATOM 0 H ARG A 52 19.500 -36.182 -7.564 1.00 0.00 H new ATOM 0 HA ARG A 52 20.100 -38.571 -9.089 1.00 0.00 H new ATOM 0 HB2 ARG A 52 17.813 -37.612 -8.907 1.00 0.00 H new ATOM 0 HB3 ARG A 52 18.368 -36.136 -9.671 1.00 0.00 H new ATOM 0 HG2 ARG A 52 18.741 -37.234 -11.766 1.00 0.00 H new ATOM 0 HG3 ARG A 52 18.613 -38.826 -11.045 1.00 0.00 H new ATOM 0 HD2 ARG A 52 16.277 -36.915 -10.881 1.00 0.00 H new ATOM 0 HD3 ARG A 52 16.569 -37.803 -12.363 1.00 0.00 H new ATOM 0 HE ARG A 52 16.656 -39.724 -10.310 1.00 0.00 H new ATOM 0 HH11 ARG A 52 14.359 -37.383 -11.617 1.00 0.00 H new ATOM 0 HH12 ARG A 52 12.947 -38.352 -11.182 1.00 0.00 H new ATOM 0 HH21 ARG A 52 14.838 -40.963 -9.754 1.00 0.00 H new ATOM 0 HH22 ARG A 52 13.217 -40.371 -10.132 1.00 0.00 H new ATOM 791 N ILE A 53 21.345 -35.654 -9.876 1.00 0.00 N ATOM 792 CA ILE A 53 22.309 -34.976 -10.734 1.00 0.00 C ATOM 793 C ILE A 53 23.634 -35.729 -10.775 1.00 0.00 C ATOM 794 O ILE A 53 24.348 -35.696 -11.776 1.00 0.00 O ATOM 795 CB ILE A 53 22.565 -33.533 -10.262 1.00 0.00 C ATOM 796 CG1 ILE A 53 22.928 -33.516 -8.776 1.00 0.00 C ATOM 797 CG2 ILE A 53 21.343 -32.665 -10.524 1.00 0.00 C ATOM 798 CD1 ILE A 53 23.388 -32.163 -8.281 1.00 0.00 C ATOM 0 H ILE A 53 21.006 -35.092 -9.095 1.00 0.00 H new ATOM 0 HA ILE A 53 21.878 -34.951 -11.735 1.00 0.00 H new ATOM 0 HB ILE A 53 23.404 -33.126 -10.826 1.00 0.00 H new ATOM 0 HG12 ILE A 53 22.061 -33.831 -8.195 1.00 0.00 H new ATOM 0 HG13 ILE A 53 23.716 -34.247 -8.595 1.00 0.00 H new ATOM 0 HG21 ILE A 53 21.540 -31.648 -10.185 1.00 0.00 H new ATOM 0 HG22 ILE A 53 21.126 -32.656 -11.592 1.00 0.00 H new ATOM 0 HG23 ILE A 53 20.487 -33.069 -9.983 1.00 0.00 H new ATOM 0 HD11 ILE A 53 23.628 -32.226 -7.220 1.00 0.00 H new ATOM 0 HD12 ILE A 53 24.274 -31.855 -8.836 1.00 0.00 H new ATOM 0 HD13 ILE A 53 22.594 -31.432 -8.430 1.00 0.00 H new ATOM 810 N GLY A 54 23.957 -36.408 -9.678 1.00 0.00 N ATOM 811 CA GLY A 54 25.195 -37.161 -9.610 1.00 0.00 C ATOM 812 C GLY A 54 25.747 -37.243 -8.200 1.00 0.00 C ATOM 813 O GLY A 54 26.237 -38.290 -7.777 1.00 0.00 O ATOM 0 H GLY A 54 23.383 -36.450 -8.836 1.00 0.00 H new ATOM 0 HA2 GLY A 54 25.025 -38.169 -9.990 1.00 0.00 H new ATOM 0 HA3 GLY A 54 25.936 -36.696 -10.260 1.00 0.00 H new ATOM 817 N VAL A 55 25.669 -36.135 -7.470 1.00 0.00 N ATOM 818 CA VAL A 55 26.165 -36.085 -6.100 1.00 0.00 C ATOM 819 C VAL A 55 25.596 -37.228 -5.268 1.00 0.00 C ATOM 820 O VAL A 55 24.379 -37.372 -5.141 1.00 0.00 O ATOM 821 CB VAL A 55 25.812 -34.747 -5.424 1.00 0.00 C ATOM 822 CG1 VAL A 55 26.453 -34.659 -4.047 1.00 0.00 C ATOM 823 CG2 VAL A 55 26.242 -33.579 -6.298 1.00 0.00 C ATOM 0 H VAL A 55 25.267 -35.259 -7.805 1.00 0.00 H new ATOM 0 HA VAL A 55 27.249 -36.182 -6.152 1.00 0.00 H new ATOM 0 HB VAL A 55 24.730 -34.697 -5.298 1.00 0.00 H new ATOM 0 HG11 VAL A 55 26.193 -33.707 -3.585 1.00 0.00 H new ATOM 0 HG12 VAL A 55 26.090 -35.476 -3.424 1.00 0.00 H new ATOM 0 HG13 VAL A 55 27.536 -34.731 -4.145 1.00 0.00 H new ATOM 0 HG21 VAL A 55 25.985 -32.642 -5.805 1.00 0.00 H new ATOM 0 HG22 VAL A 55 27.319 -33.621 -6.458 1.00 0.00 H new ATOM 0 HG23 VAL A 55 25.730 -33.636 -7.259 1.00 0.00 H new ATOM 833 N ARG A 56 26.483 -38.040 -4.702 1.00 0.00 N ATOM 834 CA ARG A 56 26.069 -39.171 -3.881 1.00 0.00 C ATOM 835 C ARG A 56 26.597 -39.032 -2.456 1.00 0.00 C ATOM 836 O ARG A 56 26.163 -39.744 -1.550 1.00 0.00 O ATOM 837 CB ARG A 56 26.566 -40.482 -4.495 1.00 0.00 C ATOM 838 CG ARG A 56 28.028 -40.444 -4.911 1.00 0.00 C ATOM 839 CD ARG A 56 28.181 -40.558 -6.419 1.00 0.00 C ATOM 840 NE ARG A 56 29.382 -39.882 -6.901 1.00 0.00 N ATOM 841 CZ ARG A 56 30.614 -40.323 -6.675 1.00 0.00 C ATOM 842 NH1 ARG A 56 30.807 -41.436 -5.980 1.00 0.00 N ATOM 843 NH2 ARG A 56 31.657 -39.652 -7.147 1.00 0.00 N ATOM 0 H ARG A 56 27.493 -37.935 -4.797 1.00 0.00 H new ATOM 0 HA ARG A 56 24.980 -39.183 -3.846 1.00 0.00 H new ATOM 0 HB2 ARG A 56 26.423 -41.288 -3.775 1.00 0.00 H new ATOM 0 HB3 ARG A 56 25.955 -40.720 -5.366 1.00 0.00 H new ATOM 0 HG2 ARG A 56 28.481 -39.514 -4.568 1.00 0.00 H new ATOM 0 HG3 ARG A 56 28.566 -41.259 -4.427 1.00 0.00 H new ATOM 0 HD2 ARG A 56 28.220 -41.610 -6.701 1.00 0.00 H new ATOM 0 HD3 ARG A 56 27.304 -40.130 -6.905 1.00 0.00 H new ATOM 0 HE ARG A 56 29.269 -39.024 -7.441 1.00 0.00 H new ATOM 0 HH11 ARG A 56 30.008 -41.956 -5.617 1.00 0.00 H new ATOM 0 HH12 ARG A 56 31.755 -41.772 -5.808 1.00 0.00 H new ATOM 0 HH21 ARG A 56 31.513 -38.797 -7.684 1.00 0.00 H new ATOM 0 HH22 ARG A 56 32.603 -39.991 -6.973 1.00 0.00 H new ATOM 857 N LEU A 57 27.534 -38.111 -2.266 1.00 0.00 N ATOM 858 CA LEU A 57 28.122 -37.877 -0.951 1.00 0.00 C ATOM 859 C LEU A 57 27.198 -37.028 -0.085 1.00 0.00 C ATOM 860 O LEU A 57 26.369 -36.265 -0.581 1.00 0.00 O ATOM 861 CB LEU A 57 29.481 -37.190 -1.093 1.00 0.00 C ATOM 862 CG LEU A 57 30.618 -38.057 -1.636 1.00 0.00 C ATOM 863 CD1 LEU A 57 31.911 -37.259 -1.708 1.00 0.00 C ATOM 864 CD2 LEU A 57 30.802 -39.297 -0.774 1.00 0.00 C ATOM 0 H LEU A 57 27.904 -37.513 -3.005 1.00 0.00 H new ATOM 0 HA LEU A 57 28.259 -38.843 -0.465 1.00 0.00 H new ATOM 0 HB2 LEU A 57 29.363 -36.328 -1.749 1.00 0.00 H new ATOM 0 HB3 LEU A 57 29.777 -36.808 -0.116 1.00 0.00 H new ATOM 0 HG LEU A 57 30.355 -38.376 -2.645 1.00 0.00 H new ATOM 0 HD11 LEU A 57 32.708 -37.892 -2.097 1.00 0.00 H new ATOM 0 HD12 LEU A 57 31.774 -36.403 -2.368 1.00 0.00 H new ATOM 0 HD13 LEU A 57 32.179 -36.909 -0.711 1.00 0.00 H new ATOM 0 HD21 LEU A 57 31.615 -39.902 -1.175 1.00 0.00 H new ATOM 0 HD22 LEU A 57 31.042 -38.998 0.247 1.00 0.00 H new ATOM 0 HD23 LEU A 57 29.881 -39.880 -0.775 1.00 0.00 H new ATOM 876 N PRO A 58 27.345 -37.159 1.242 1.00 0.00 N ATOM 877 CA PRO A 58 26.534 -36.409 2.206 1.00 0.00 C ATOM 878 C PRO A 58 26.873 -34.923 2.217 1.00 0.00 C ATOM 879 O PRO A 58 25.987 -34.073 2.147 1.00 0.00 O ATOM 880 CB PRO A 58 26.895 -37.050 3.548 1.00 0.00 C ATOM 881 CG PRO A 58 28.258 -37.617 3.343 1.00 0.00 C ATOM 882 CD PRO A 58 28.313 -38.049 1.904 1.00 0.00 C ATOM 0 HA PRO A 58 25.471 -36.456 1.968 1.00 0.00 H new ATOM 0 HB2 PRO A 58 26.889 -36.314 4.352 1.00 0.00 H new ATOM 0 HB3 PRO A 58 26.180 -37.826 3.821 1.00 0.00 H new ATOM 0 HG2 PRO A 58 29.026 -36.874 3.557 1.00 0.00 H new ATOM 0 HG3 PRO A 58 28.435 -38.460 4.011 1.00 0.00 H new ATOM 0 HD2 PRO A 58 29.314 -37.934 1.488 1.00 0.00 H new ATOM 0 HD3 PRO A 58 28.039 -39.098 1.789 1.00 0.00 H new ATOM 890 N GLY A 59 28.164 -34.615 2.305 1.00 0.00 N ATOM 891 CA GLY A 59 28.598 -33.231 2.322 1.00 0.00 C ATOM 892 C GLY A 59 28.274 -32.505 1.032 1.00 0.00 C ATOM 893 O GLY A 59 27.636 -31.452 1.046 1.00 0.00 O ATOM 0 H GLY A 59 28.917 -35.300 2.365 1.00 0.00 H new ATOM 0 HA2 GLY A 59 28.122 -32.714 3.155 1.00 0.00 H new ATOM 0 HA3 GLY A 59 29.673 -33.193 2.496 1.00 0.00 H new ATOM 897 N HIS A 60 28.715 -33.068 -0.089 1.00 0.00 N ATOM 898 CA HIS A 60 28.469 -32.466 -1.395 1.00 0.00 C ATOM 899 C HIS A 60 26.986 -32.159 -1.581 1.00 0.00 C ATOM 900 O HIS A 60 26.622 -31.222 -2.290 1.00 0.00 O ATOM 901 CB HIS A 60 28.953 -33.397 -2.507 1.00 0.00 C ATOM 902 CG HIS A 60 30.437 -33.597 -2.518 1.00 0.00 C ATOM 903 ND1 HIS A 60 31.122 -34.090 -3.608 1.00 0.00 N ATOM 904 CD2 HIS A 60 31.368 -33.366 -1.563 1.00 0.00 C ATOM 905 CE1 HIS A 60 32.410 -34.155 -3.323 1.00 0.00 C ATOM 906 NE2 HIS A 60 32.586 -33.721 -2.088 1.00 0.00 N ATOM 0 H HIS A 60 29.244 -33.940 -0.119 1.00 0.00 H new ATOM 0 HA HIS A 60 29.025 -31.530 -1.447 1.00 0.00 H new ATOM 0 HB2 HIS A 60 28.465 -34.365 -2.397 1.00 0.00 H new ATOM 0 HB3 HIS A 60 28.642 -32.991 -3.470 1.00 0.00 H new ATOM 0 HD2 HIS A 60 31.187 -32.975 -0.573 1.00 0.00 H new ATOM 0 HE1 HIS A 60 33.187 -34.504 -3.987 1.00 0.00 H new ATOM 0 HE2 HIS A 60 33.481 -33.660 -1.603 1.00 0.00 H new ATOM 914 N GLN A 61 26.137 -32.956 -0.940 1.00 0.00 N ATOM 915 CA GLN A 61 24.694 -32.769 -1.037 1.00 0.00 C ATOM 916 C GLN A 61 24.254 -31.523 -0.275 1.00 0.00 C ATOM 917 O GLN A 61 23.683 -30.598 -0.853 1.00 0.00 O ATOM 918 CB GLN A 61 23.962 -33.998 -0.495 1.00 0.00 C ATOM 919 CG GLN A 61 23.743 -35.084 -1.535 1.00 0.00 C ATOM 920 CD GLN A 61 23.016 -36.291 -0.976 1.00 0.00 C ATOM 921 OE1 GLN A 61 22.073 -36.155 -0.197 1.00 0.00 O ATOM 922 NE2 GLN A 61 23.453 -37.481 -1.371 1.00 0.00 N ATOM 0 H GLN A 61 26.423 -33.736 -0.349 1.00 0.00 H new ATOM 0 HA GLN A 61 24.440 -32.638 -2.089 1.00 0.00 H new ATOM 0 HB2 GLN A 61 24.532 -34.413 0.336 1.00 0.00 H new ATOM 0 HB3 GLN A 61 22.996 -33.688 -0.096 1.00 0.00 H new ATOM 0 HG2 GLN A 61 23.171 -34.674 -2.368 1.00 0.00 H new ATOM 0 HG3 GLN A 61 24.707 -35.399 -1.935 1.00 0.00 H new ATOM 0 HE21 GLN A 61 24.238 -37.547 -2.018 1.00 0.00 H new ATOM 0 HE22 GLN A 61 23.003 -38.329 -1.027 1.00 0.00 H new ATOM 931 N LYS A 62 24.523 -31.506 1.026 1.00 0.00 N ATOM 932 CA LYS A 62 24.156 -30.374 1.869 1.00 0.00 C ATOM 933 C LYS A 62 24.779 -29.083 1.348 1.00 0.00 C ATOM 934 O LYS A 62 24.144 -28.028 1.354 1.00 0.00 O ATOM 935 CB LYS A 62 24.600 -30.621 3.312 1.00 0.00 C ATOM 936 CG LYS A 62 23.594 -31.411 4.131 1.00 0.00 C ATOM 937 CD LYS A 62 24.183 -31.856 5.459 1.00 0.00 C ATOM 938 CE LYS A 62 24.482 -33.347 5.465 1.00 0.00 C ATOM 939 NZ LYS A 62 23.237 -34.163 5.427 1.00 0.00 N ATOM 0 H LYS A 62 24.994 -32.264 1.520 1.00 0.00 H new ATOM 0 HA LYS A 62 23.071 -30.270 1.842 1.00 0.00 H new ATOM 0 HB2 LYS A 62 25.550 -31.156 3.305 1.00 0.00 H new ATOM 0 HB3 LYS A 62 24.778 -29.662 3.798 1.00 0.00 H new ATOM 0 HG2 LYS A 62 22.710 -30.800 4.311 1.00 0.00 H new ATOM 0 HG3 LYS A 62 23.268 -32.284 3.565 1.00 0.00 H new ATOM 0 HD2 LYS A 62 25.099 -31.299 5.657 1.00 0.00 H new ATOM 0 HD3 LYS A 62 23.487 -31.620 6.264 1.00 0.00 H new ATOM 0 HE2 LYS A 62 25.105 -33.596 4.606 1.00 0.00 H new ATOM 0 HE3 LYS A 62 25.054 -33.599 6.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 23.442 -35.124 5.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 22.517 -33.726 6.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 22.882 -34.209 4.451 1.00 0.00 H new ATOM 953 N ARG A 63 26.026 -29.174 0.895 1.00 0.00 N ATOM 954 CA ARG A 63 26.735 -28.013 0.370 1.00 0.00 C ATOM 955 C ARG A 63 25.905 -27.307 -0.698 1.00 0.00 C ATOM 956 O ARG A 63 25.936 -26.081 -0.812 1.00 0.00 O ATOM 957 CB ARG A 63 28.085 -28.434 -0.213 1.00 0.00 C ATOM 958 CG ARG A 63 29.013 -27.267 -0.506 1.00 0.00 C ATOM 959 CD ARG A 63 30.366 -27.448 0.165 1.00 0.00 C ATOM 960 NE ARG A 63 30.388 -26.888 1.513 1.00 0.00 N ATOM 961 CZ ARG A 63 31.403 -27.042 2.356 1.00 0.00 C ATOM 962 NH1 ARG A 63 32.472 -27.736 1.992 1.00 0.00 N ATOM 963 NH2 ARG A 63 31.349 -26.502 3.567 1.00 0.00 N ATOM 0 H ARG A 63 26.566 -30.039 0.881 1.00 0.00 H new ATOM 0 HA ARG A 63 26.903 -27.318 1.193 1.00 0.00 H new ATOM 0 HB2 ARG A 63 28.577 -29.112 0.485 1.00 0.00 H new ATOM 0 HB3 ARG A 63 27.915 -28.992 -1.134 1.00 0.00 H new ATOM 0 HG2 ARG A 63 29.150 -27.171 -1.583 1.00 0.00 H new ATOM 0 HG3 ARG A 63 28.555 -26.341 -0.159 1.00 0.00 H new ATOM 0 HD2 ARG A 63 30.609 -28.510 0.210 1.00 0.00 H new ATOM 0 HD3 ARG A 63 31.137 -26.969 -0.439 1.00 0.00 H new ATOM 0 HE ARG A 63 29.580 -26.349 1.825 1.00 0.00 H new ATOM 0 HH11 ARG A 63 32.517 -28.153 1.062 1.00 0.00 H new ATOM 0 HH12 ARG A 63 33.250 -27.853 2.641 1.00 0.00 H new ATOM 0 HH21 ARG A 63 30.528 -25.968 3.851 1.00 0.00 H new ATOM 0 HH22 ARG A 63 32.129 -26.621 4.214 1.00 0.00 H new ATOM 977 N ILE A 64 25.166 -28.088 -1.478 1.00 0.00 N ATOM 978 CA ILE A 64 24.329 -27.537 -2.536 1.00 0.00 C ATOM 979 C ILE A 64 22.944 -27.177 -2.009 1.00 0.00 C ATOM 980 O ILE A 64 22.395 -26.127 -2.344 1.00 0.00 O ATOM 981 CB ILE A 64 24.178 -28.526 -3.707 1.00 0.00 C ATOM 982 CG1 ILE A 64 25.551 -28.881 -4.283 1.00 0.00 C ATOM 983 CG2 ILE A 64 23.282 -27.937 -4.786 1.00 0.00 C ATOM 984 CD1 ILE A 64 25.489 -29.864 -5.431 1.00 0.00 C ATOM 0 H ILE A 64 25.130 -29.104 -1.397 1.00 0.00 H new ATOM 0 HA ILE A 64 24.826 -26.635 -2.894 1.00 0.00 H new ATOM 0 HB ILE A 64 23.713 -29.439 -3.335 1.00 0.00 H new ATOM 0 HG12 ILE A 64 26.040 -27.968 -4.623 1.00 0.00 H new ATOM 0 HG13 ILE A 64 26.171 -29.299 -3.490 1.00 0.00 H new ATOM 0 HG21 ILE A 64 23.185 -28.648 -5.607 1.00 0.00 H new ATOM 0 HG22 ILE A 64 22.297 -27.729 -4.368 1.00 0.00 H new ATOM 0 HG23 ILE A 64 23.721 -27.011 -5.158 1.00 0.00 H new ATOM 0 HD11 ILE A 64 26.498 -30.069 -5.789 1.00 0.00 H new ATOM 0 HD12 ILE A 64 25.029 -30.792 -5.091 1.00 0.00 H new ATOM 0 HD13 ILE A 64 24.896 -29.440 -6.241 1.00 0.00 H new ATOM 996 N ALA A 65 22.385 -28.053 -1.182 1.00 0.00 N ATOM 997 CA ALA A 65 21.066 -27.825 -0.605 1.00 0.00 C ATOM 998 C ALA A 65 21.022 -26.509 0.163 1.00 0.00 C ATOM 999 O ALA A 65 20.129 -25.687 -0.044 1.00 0.00 O ATOM 1000 CB ALA A 65 20.680 -28.982 0.305 1.00 0.00 C ATOM 0 H ALA A 65 22.825 -28.928 -0.896 1.00 0.00 H new ATOM 0 HA ALA A 65 20.346 -27.763 -1.421 1.00 0.00 H new ATOM 0 HB1 ALA A 65 19.693 -28.798 0.729 1.00 0.00 H new ATOM 0 HB2 ALA A 65 20.661 -29.907 -0.271 1.00 0.00 H new ATOM 0 HB3 ALA A 65 21.410 -29.071 1.110 1.00 0.00 H new ATOM 1006 N TYR A 66 21.991 -26.315 1.051 1.00 0.00 N ATOM 1007 CA TYR A 66 22.062 -25.099 1.852 1.00 0.00 C ATOM 1008 C TYR A 66 22.060 -23.859 0.963 1.00 0.00 C ATOM 1009 O TYR A 66 21.485 -22.829 1.316 1.00 0.00 O ATOM 1010 CB TYR A 66 23.317 -25.111 2.727 1.00 0.00 C ATOM 1011 CG TYR A 66 23.278 -24.105 3.855 1.00 0.00 C ATOM 1012 CD1 TYR A 66 22.140 -23.951 4.636 1.00 0.00 C ATOM 1013 CD2 TYR A 66 24.380 -23.309 4.139 1.00 0.00 C ATOM 1014 CE1 TYR A 66 22.100 -23.033 5.667 1.00 0.00 C ATOM 1015 CE2 TYR A 66 24.350 -22.389 5.170 1.00 0.00 C ATOM 1016 CZ TYR A 66 23.208 -22.255 5.931 1.00 0.00 C ATOM 1017 OH TYR A 66 23.173 -21.338 6.957 1.00 0.00 O ATOM 0 H TYR A 66 22.738 -26.985 1.234 1.00 0.00 H new ATOM 0 HA TYR A 66 21.181 -25.066 2.493 1.00 0.00 H new ATOM 0 HB2 TYR A 66 23.448 -26.109 3.146 1.00 0.00 H new ATOM 0 HB3 TYR A 66 24.187 -24.910 2.102 1.00 0.00 H new ATOM 0 HD1 TYR A 66 21.271 -24.560 4.434 1.00 0.00 H new ATOM 0 HD2 TYR A 66 25.276 -23.411 3.544 1.00 0.00 H new ATOM 0 HE1 TYR A 66 21.206 -22.925 6.263 1.00 0.00 H new ATOM 0 HE2 TYR A 66 25.216 -21.778 5.378 1.00 0.00 H new ATOM 0 HH TYR A 66 24.034 -20.873 7.010 1.00 0.00 H new ATOM 1027 N SER A 67 22.708 -23.967 -0.192 1.00 0.00 N ATOM 1028 CA SER A 67 22.785 -22.855 -1.132 1.00 0.00 C ATOM 1029 C SER A 67 21.425 -22.587 -1.769 1.00 0.00 C ATOM 1030 O SER A 67 21.014 -21.435 -1.922 1.00 0.00 O ATOM 1031 CB SER A 67 23.821 -23.149 -2.219 1.00 0.00 C ATOM 1032 OG SER A 67 24.832 -22.156 -2.242 1.00 0.00 O ATOM 0 H SER A 67 23.187 -24.813 -0.500 1.00 0.00 H new ATOM 0 HA SER A 67 23.090 -21.966 -0.580 1.00 0.00 H new ATOM 0 HB2 SER A 67 24.271 -24.126 -2.042 1.00 0.00 H new ATOM 0 HB3 SER A 67 23.330 -23.195 -3.191 1.00 0.00 H new ATOM 0 HG SER A 67 24.881 -21.759 -3.137 1.00 0.00 H new ATOM 1038 N LEU A 68 20.730 -23.657 -2.139 1.00 0.00 N ATOM 1039 CA LEU A 68 19.416 -23.539 -2.760 1.00 0.00 C ATOM 1040 C LEU A 68 18.490 -22.672 -1.913 1.00 0.00 C ATOM 1041 O LEU A 68 17.703 -21.885 -2.442 1.00 0.00 O ATOM 1042 CB LEU A 68 18.797 -24.924 -2.956 1.00 0.00 C ATOM 1043 CG LEU A 68 19.492 -25.832 -3.972 1.00 0.00 C ATOM 1044 CD1 LEU A 68 18.814 -27.192 -4.023 1.00 0.00 C ATOM 1045 CD2 LEU A 68 19.497 -25.184 -5.349 1.00 0.00 C ATOM 0 H LEU A 68 21.055 -24.616 -2.020 1.00 0.00 H new ATOM 0 HA LEU A 68 19.542 -23.063 -3.732 1.00 0.00 H new ATOM 0 HB2 LEU A 68 18.784 -25.434 -1.993 1.00 0.00 H new ATOM 0 HB3 LEU A 68 17.759 -24.796 -3.263 1.00 0.00 H new ATOM 0 HG LEU A 68 20.525 -25.976 -3.656 1.00 0.00 H new ATOM 0 HD11 LEU A 68 19.322 -27.825 -4.751 1.00 0.00 H new ATOM 0 HD12 LEU A 68 18.862 -27.660 -3.040 1.00 0.00 H new ATOM 0 HD13 LEU A 68 17.771 -27.068 -4.315 1.00 0.00 H new ATOM 0 HD21 LEU A 68 19.995 -25.843 -6.060 1.00 0.00 H new ATOM 0 HD22 LEU A 68 18.471 -25.010 -5.673 1.00 0.00 H new ATOM 0 HD23 LEU A 68 20.028 -24.234 -5.302 1.00 0.00 H new ATOM 1057 N LEU A 69 18.590 -22.818 -0.597 1.00 0.00 N ATOM 1058 CA LEU A 69 17.763 -22.046 0.324 1.00 0.00 C ATOM 1059 C LEU A 69 17.852 -20.555 0.017 1.00 0.00 C ATOM 1060 O LEU A 69 16.835 -19.883 -0.152 1.00 0.00 O ATOM 1061 CB LEU A 69 18.193 -22.307 1.769 1.00 0.00 C ATOM 1062 CG LEU A 69 18.397 -23.773 2.154 1.00 0.00 C ATOM 1063 CD1 LEU A 69 18.753 -23.893 3.627 1.00 0.00 C ATOM 1064 CD2 LEU A 69 17.150 -24.586 1.836 1.00 0.00 C ATOM 0 H LEU A 69 19.236 -23.464 -0.143 1.00 0.00 H new ATOM 0 HA LEU A 69 16.728 -22.363 0.196 1.00 0.00 H new ATOM 0 HB2 LEU A 69 19.124 -21.771 1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 69 17.443 -21.879 2.433 1.00 0.00 H new ATOM 0 HG LEU A 69 19.225 -24.171 1.568 1.00 0.00 H new ATOM 0 HD11 LEU A 69 18.894 -24.943 3.883 1.00 0.00 H new ATOM 0 HD12 LEU A 69 19.674 -23.344 3.825 1.00 0.00 H new ATOM 0 HD13 LEU A 69 17.946 -23.478 4.231 1.00 0.00 H new ATOM 0 HD21 LEU A 69 17.313 -25.627 2.116 1.00 0.00 H new ATOM 0 HD22 LEU A 69 16.304 -24.188 2.395 1.00 0.00 H new ATOM 0 HD23 LEU A 69 16.939 -24.527 0.768 1.00 0.00 H new ATOM 1076 N GLY A 70 19.077 -20.043 -0.057 1.00 0.00 N ATOM 1077 CA GLY A 70 19.277 -18.635 -0.346 1.00 0.00 C ATOM 1078 C GLY A 70 18.803 -18.256 -1.735 1.00 0.00 C ATOM 1079 O GLY A 70 18.430 -17.108 -1.980 1.00 0.00 O ATOM 0 H GLY A 70 19.935 -20.579 0.078 1.00 0.00 H new ATOM 0 HA2 GLY A 70 18.744 -18.036 0.393 1.00 0.00 H new ATOM 0 HA3 GLY A 70 20.335 -18.394 -0.248 1.00 0.00 H new ATOM 1083 N LEU A 71 18.819 -19.221 -2.648 1.00 0.00 N ATOM 1084 CA LEU A 71 18.389 -18.982 -4.021 1.00 0.00 C ATOM 1085 C LEU A 71 16.883 -18.750 -4.088 1.00 0.00 C ATOM 1086 O LEU A 71 16.418 -17.798 -4.714 1.00 0.00 O ATOM 1087 CB LEU A 71 18.775 -20.166 -4.910 1.00 0.00 C ATOM 1088 CG LEU A 71 20.272 -20.445 -5.045 1.00 0.00 C ATOM 1089 CD1 LEU A 71 20.513 -21.634 -5.962 1.00 0.00 C ATOM 1090 CD2 LEU A 71 20.999 -19.213 -5.564 1.00 0.00 C ATOM 0 H LEU A 71 19.125 -20.176 -2.462 1.00 0.00 H new ATOM 0 HA LEU A 71 18.892 -18.085 -4.382 1.00 0.00 H new ATOM 0 HB2 LEU A 71 18.293 -21.061 -4.517 1.00 0.00 H new ATOM 0 HB3 LEU A 71 18.367 -19.995 -5.906 1.00 0.00 H new ATOM 0 HG LEU A 71 20.667 -20.687 -4.059 1.00 0.00 H new ATOM 0 HD11 LEU A 71 21.584 -21.817 -6.046 1.00 0.00 H new ATOM 0 HD12 LEU A 71 20.025 -22.517 -5.549 1.00 0.00 H new ATOM 0 HD13 LEU A 71 20.103 -21.421 -6.949 1.00 0.00 H new ATOM 0 HD21 LEU A 71 22.063 -19.430 -5.654 1.00 0.00 H new ATOM 0 HD22 LEU A 71 20.600 -18.940 -6.541 1.00 0.00 H new ATOM 0 HD23 LEU A 71 20.855 -18.386 -4.869 1.00 0.00 H new ATOM 1102 N LYS A 72 16.126 -19.626 -3.437 1.00 0.00 N ATOM 1103 CA LYS A 72 14.672 -19.516 -3.418 1.00 0.00 C ATOM 1104 C LYS A 72 14.227 -18.328 -2.572 1.00 0.00 C ATOM 1105 O LYS A 72 13.152 -17.768 -2.788 1.00 0.00 O ATOM 1106 CB LYS A 72 14.050 -20.804 -2.874 1.00 0.00 C ATOM 1107 CG LYS A 72 14.441 -22.046 -3.656 1.00 0.00 C ATOM 1108 CD LYS A 72 14.087 -23.316 -2.900 1.00 0.00 C ATOM 1109 CE LYS A 72 15.298 -24.220 -2.730 1.00 0.00 C ATOM 1110 NZ LYS A 72 14.905 -25.619 -2.406 1.00 0.00 N ATOM 0 H LYS A 72 16.495 -20.421 -2.915 1.00 0.00 H new ATOM 0 HA LYS A 72 14.331 -19.359 -4.441 1.00 0.00 H new ATOM 0 HB2 LYS A 72 14.349 -20.931 -1.834 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.964 -20.706 -2.884 1.00 0.00 H new ATOM 0 HG2 LYS A 72 13.935 -22.043 -4.621 1.00 0.00 H new ATOM 0 HG3 LYS A 72 15.512 -22.028 -3.857 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.685 -23.057 -1.921 1.00 0.00 H new ATOM 0 HD3 LYS A 72 13.303 -23.853 -3.435 1.00 0.00 H new ATOM 0 HE2 LYS A 72 15.889 -24.212 -3.646 1.00 0.00 H new ATOM 0 HE3 LYS A 72 15.935 -23.829 -1.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 15.759 -26.203 -2.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.363 -25.631 -1.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.319 -26.002 -3.175 1.00 0.00 H new