USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=14 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 137:sc= -0.761 (180deg=-1.02) USER MOD Set 1.2: A 27 TYR OH : rot 176:sc= 1.39 USER MOD Set 1.3: A 60 HIS : no HD1:sc= -0.534 K(o=0.091,f=-8.7!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0143 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -83:sc= 0.596 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -1.36 X(o=-1.4,f=-1.3) USER MOD Single : A 26 GLN : amide:sc=-0.00682 X(o=-0.0068,f=-0.17) USER MOD Single : A 28 THR OG1 : rot 170:sc= -0.955 USER MOD Single : A 30 HIS : no HD1:sc= -0.206 K(o=-0.21,f=-0.83) USER MOD Single : A 32 MET CE :methyl 145:sc= -0.0766 (180deg=-0.512) USER MOD Single : A 36 TYR OH : rot -60:sc= 0.255 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 MET CE :methyl 157:sc= -1.39 (180deg=-1.78) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.202 USER MOD Single : A 47 ASN : amide:sc= -0.228 X(o=-0.23,f=-0.23) USER MOD Single : A 51 LYS NZ :NH3+ 146:sc= -0.0571 (180deg=-0.506) USER MOD Single : A 61 GLN : amide:sc= -1.66 X(o=-1.7,f=-1.6) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -160:sc= -0.203 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 138 N ARG A 13 24.244 -15.304 -11.603 1.00 0.00 N ATOM 139 CA ARG A 13 23.484 -15.290 -12.848 1.00 0.00 C ATOM 140 C ARG A 13 23.564 -16.644 -13.548 1.00 0.00 C ATOM 141 O ARG A 13 22.677 -17.009 -14.320 1.00 0.00 O ATOM 142 CB ARG A 13 24.006 -14.192 -13.777 1.00 0.00 C ATOM 143 CG ARG A 13 25.495 -14.294 -14.063 1.00 0.00 C ATOM 144 CD ARG A 13 26.252 -13.099 -13.505 1.00 0.00 C ATOM 145 NE ARG A 13 27.670 -13.137 -13.855 1.00 0.00 N ATOM 146 CZ ARG A 13 28.537 -12.190 -13.515 1.00 0.00 C ATOM 147 NH1 ARG A 13 28.133 -11.136 -12.819 1.00 0.00 N ATOM 148 NH2 ARG A 13 29.811 -12.296 -13.870 1.00 0.00 N ATOM 0 HA ARG A 13 22.441 -15.086 -12.606 1.00 0.00 H new ATOM 0 HB2 ARG A 13 23.460 -14.235 -14.719 1.00 0.00 H new ATOM 0 HB3 ARG A 13 23.796 -13.220 -13.331 1.00 0.00 H new ATOM 0 HG2 ARG A 13 25.889 -15.212 -13.626 1.00 0.00 H new ATOM 0 HG3 ARG A 13 25.656 -14.358 -15.139 1.00 0.00 H new ATOM 0 HD2 ARG A 13 25.809 -12.179 -13.886 1.00 0.00 H new ATOM 0 HD3 ARG A 13 26.147 -13.078 -12.420 1.00 0.00 H new ATOM 0 HE ARG A 13 28.013 -13.935 -14.390 1.00 0.00 H new ATOM 0 HH11 ARG A 13 27.155 -11.051 -12.544 1.00 0.00 H new ATOM 0 HH12 ARG A 13 28.801 -10.410 -12.559 1.00 0.00 H new ATOM 0 HH21 ARG A 13 30.126 -13.106 -14.405 1.00 0.00 H new ATOM 0 HH22 ARG A 13 30.476 -11.568 -13.608 1.00 0.00 H new ATOM 162 N THR A 14 24.633 -17.385 -13.273 1.00 0.00 N ATOM 163 CA THR A 14 24.830 -18.696 -13.876 1.00 0.00 C ATOM 164 C THR A 14 24.982 -19.775 -12.810 1.00 0.00 C ATOM 165 O THR A 14 25.348 -19.489 -11.670 1.00 0.00 O ATOM 166 CB THR A 14 26.071 -18.714 -14.789 1.00 0.00 C ATOM 167 OG1 THR A 14 27.258 -18.551 -14.005 1.00 0.00 O ATOM 168 CG2 THR A 14 25.990 -17.611 -15.833 1.00 0.00 C ATOM 0 H THR A 14 25.376 -17.098 -12.636 1.00 0.00 H new ATOM 0 HA THR A 14 23.944 -18.904 -14.475 1.00 0.00 H new ATOM 0 HB THR A 14 26.105 -19.675 -15.302 1.00 0.00 H new ATOM 0 HG1 THR A 14 28.042 -18.565 -14.592 1.00 0.00 H new ATOM 0 HG21 THR A 14 26.877 -17.643 -16.466 1.00 0.00 H new ATOM 0 HG22 THR A 14 25.101 -17.755 -16.447 1.00 0.00 H new ATOM 0 HG23 THR A 14 25.934 -16.643 -15.336 1.00 0.00 H new ATOM 176 N VAL A 15 24.699 -21.018 -13.188 1.00 0.00 N ATOM 177 CA VAL A 15 24.806 -22.141 -12.264 1.00 0.00 C ATOM 178 C VAL A 15 26.253 -22.369 -11.842 1.00 0.00 C ATOM 179 O VAL A 15 26.519 -22.921 -10.774 1.00 0.00 O ATOM 180 CB VAL A 15 24.254 -23.436 -12.888 1.00 0.00 C ATOM 181 CG1 VAL A 15 24.424 -24.606 -11.931 1.00 0.00 C ATOM 182 CG2 VAL A 15 22.793 -23.261 -13.274 1.00 0.00 C ATOM 0 H VAL A 15 24.394 -21.272 -14.127 1.00 0.00 H new ATOM 0 HA VAL A 15 24.211 -21.887 -11.387 1.00 0.00 H new ATOM 0 HB VAL A 15 24.822 -23.653 -13.793 1.00 0.00 H new ATOM 0 HG11 VAL A 15 24.028 -25.512 -12.390 1.00 0.00 H new ATOM 0 HG12 VAL A 15 25.482 -24.744 -11.710 1.00 0.00 H new ATOM 0 HG13 VAL A 15 23.884 -24.401 -11.007 1.00 0.00 H new ATOM 0 HG21 VAL A 15 22.419 -24.186 -13.713 1.00 0.00 H new ATOM 0 HG22 VAL A 15 22.209 -23.019 -12.386 1.00 0.00 H new ATOM 0 HG23 VAL A 15 22.703 -22.452 -13.999 1.00 0.00 H new ATOM 192 N SER A 16 27.185 -21.941 -12.688 1.00 0.00 N ATOM 193 CA SER A 16 28.606 -22.102 -12.405 1.00 0.00 C ATOM 194 C SER A 16 29.032 -21.213 -11.241 1.00 0.00 C ATOM 195 O SER A 16 29.485 -21.701 -10.206 1.00 0.00 O ATOM 196 CB SER A 16 29.436 -21.769 -13.646 1.00 0.00 C ATOM 197 OG SER A 16 30.771 -22.224 -13.504 1.00 0.00 O ATOM 0 H SER A 16 26.981 -21.480 -13.575 1.00 0.00 H new ATOM 0 HA SER A 16 28.780 -23.142 -12.128 1.00 0.00 H new ATOM 0 HB2 SER A 16 28.983 -22.229 -14.524 1.00 0.00 H new ATOM 0 HB3 SER A 16 29.431 -20.692 -13.812 1.00 0.00 H new ATOM 0 HG SER A 16 31.280 -22.001 -14.311 1.00 0.00 H new ATOM 203 N GLU A 17 28.883 -19.904 -11.419 1.00 0.00 N ATOM 204 CA GLU A 17 29.253 -18.945 -10.384 1.00 0.00 C ATOM 205 C GLU A 17 28.616 -19.315 -9.048 1.00 0.00 C ATOM 206 O GLU A 17 29.174 -19.040 -7.985 1.00 0.00 O ATOM 207 CB GLU A 17 28.828 -17.533 -10.791 1.00 0.00 C ATOM 208 CG GLU A 17 29.356 -17.106 -12.150 1.00 0.00 C ATOM 209 CD GLU A 17 30.460 -16.072 -12.048 1.00 0.00 C ATOM 210 OE1 GLU A 17 30.142 -14.864 -12.025 1.00 0.00 O ATOM 211 OE2 GLU A 17 31.643 -16.469 -11.992 1.00 0.00 O ATOM 0 H GLU A 17 28.509 -19.483 -12.270 1.00 0.00 H new ATOM 0 HA GLU A 17 30.337 -18.971 -10.270 1.00 0.00 H new ATOM 0 HB2 GLU A 17 27.739 -17.479 -10.800 1.00 0.00 H new ATOM 0 HB3 GLU A 17 29.176 -16.827 -10.037 1.00 0.00 H new ATOM 0 HG2 GLU A 17 29.731 -17.981 -12.681 1.00 0.00 H new ATOM 0 HG3 GLU A 17 28.536 -16.700 -12.743 1.00 0.00 H new ATOM 218 N TRP A 18 27.446 -19.939 -9.109 1.00 0.00 N ATOM 219 CA TRP A 18 26.732 -20.346 -7.904 1.00 0.00 C ATOM 220 C TRP A 18 27.452 -21.496 -7.208 1.00 0.00 C ATOM 221 O TRP A 18 27.735 -21.430 -6.011 1.00 0.00 O ATOM 222 CB TRP A 18 25.300 -20.759 -8.249 1.00 0.00 C ATOM 223 CG TRP A 18 24.578 -21.408 -7.108 1.00 0.00 C ATOM 224 CD1 TRP A 18 24.330 -20.865 -5.880 1.00 0.00 C ATOM 225 CD2 TRP A 18 24.011 -22.723 -7.089 1.00 0.00 C ATOM 226 NE1 TRP A 18 23.644 -21.763 -5.098 1.00 0.00 N ATOM 227 CE2 TRP A 18 23.435 -22.910 -5.817 1.00 0.00 C ATOM 228 CE3 TRP A 18 23.932 -23.760 -8.023 1.00 0.00 C ATOM 229 CZ2 TRP A 18 22.792 -24.092 -5.458 1.00 0.00 C ATOM 230 CZ3 TRP A 18 23.294 -24.932 -7.665 1.00 0.00 C ATOM 231 CH2 TRP A 18 22.730 -25.090 -6.392 1.00 0.00 C ATOM 0 H TRP A 18 26.971 -20.175 -9.980 1.00 0.00 H new ATOM 0 HA TRP A 18 26.703 -19.495 -7.224 1.00 0.00 H new ATOM 0 HB2 TRP A 18 24.743 -19.879 -8.569 1.00 0.00 H new ATOM 0 HB3 TRP A 18 25.322 -21.447 -9.094 1.00 0.00 H new ATOM 0 HD1 TRP A 18 24.629 -19.875 -5.569 1.00 0.00 H new ATOM 0 HE1 TRP A 18 23.340 -21.602 -4.138 1.00 0.00 H new ATOM 0 HE3 TRP A 18 24.362 -23.647 -9.007 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 22.358 -24.217 -4.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 23.229 -25.740 -8.378 1.00 0.00 H new ATOM 0 HH2 TRP A 18 22.237 -26.018 -6.143 1.00 0.00 H new ATOM 242 N LEU A 19 27.746 -22.548 -7.963 1.00 0.00 N ATOM 243 CA LEU A 19 28.434 -23.713 -7.417 1.00 0.00 C ATOM 244 C LEU A 19 29.849 -23.353 -6.975 1.00 0.00 C ATOM 245 O LEU A 19 30.311 -23.794 -5.924 1.00 0.00 O ATOM 246 CB LEU A 19 28.482 -24.835 -8.456 1.00 0.00 C ATOM 247 CG LEU A 19 27.208 -25.668 -8.604 1.00 0.00 C ATOM 248 CD1 LEU A 19 27.048 -26.150 -10.037 1.00 0.00 C ATOM 249 CD2 LEU A 19 27.227 -26.847 -7.642 1.00 0.00 C ATOM 0 H LEU A 19 27.519 -22.619 -8.955 1.00 0.00 H new ATOM 0 HA LEU A 19 27.878 -24.057 -6.545 1.00 0.00 H new ATOM 0 HB2 LEU A 19 28.720 -24.396 -9.425 1.00 0.00 H new ATOM 0 HB3 LEU A 19 29.303 -25.505 -8.200 1.00 0.00 H new ATOM 0 HG LEU A 19 26.354 -25.037 -8.358 1.00 0.00 H new ATOM 0 HD11 LEU A 19 26.136 -26.741 -10.122 1.00 0.00 H new ATOM 0 HD12 LEU A 19 26.988 -25.291 -10.705 1.00 0.00 H new ATOM 0 HD13 LEU A 19 27.905 -26.764 -10.312 1.00 0.00 H new ATOM 0 HD21 LEU A 19 26.313 -27.429 -7.761 1.00 0.00 H new ATOM 0 HD22 LEU A 19 28.089 -27.478 -7.857 1.00 0.00 H new ATOM 0 HD23 LEU A 19 27.293 -26.480 -6.618 1.00 0.00 H new ATOM 261 N GLU A 20 30.529 -22.548 -7.785 1.00 0.00 N ATOM 262 CA GLU A 20 31.891 -22.128 -7.477 1.00 0.00 C ATOM 263 C GLU A 20 31.975 -21.551 -6.066 1.00 0.00 C ATOM 264 O GLU A 20 33.009 -21.648 -5.406 1.00 0.00 O ATOM 265 CB GLU A 20 32.371 -21.090 -8.493 1.00 0.00 C ATOM 266 CG GLU A 20 32.363 -21.594 -9.927 1.00 0.00 C ATOM 267 CD GLU A 20 33.753 -21.919 -10.439 1.00 0.00 C ATOM 268 OE1 GLU A 20 34.655 -22.140 -9.604 1.00 0.00 O ATOM 269 OE2 GLU A 20 33.939 -21.951 -11.673 1.00 0.00 O ATOM 0 H GLU A 20 30.159 -22.174 -8.659 1.00 0.00 H new ATOM 0 HA GLU A 20 32.536 -23.005 -7.533 1.00 0.00 H new ATOM 0 HB2 GLU A 20 31.737 -20.206 -8.424 1.00 0.00 H new ATOM 0 HB3 GLU A 20 33.382 -20.779 -8.232 1.00 0.00 H new ATOM 0 HG2 GLU A 20 31.739 -22.485 -9.991 1.00 0.00 H new ATOM 0 HG3 GLU A 20 31.910 -20.840 -10.571 1.00 0.00 H new ATOM 276 N SER A 21 30.880 -20.950 -5.612 1.00 0.00 N ATOM 277 CA SER A 21 30.831 -20.353 -4.283 1.00 0.00 C ATOM 278 C SER A 21 30.872 -21.429 -3.202 1.00 0.00 C ATOM 279 O SER A 21 31.522 -21.264 -2.170 1.00 0.00 O ATOM 280 CB SER A 21 29.567 -19.506 -4.127 1.00 0.00 C ATOM 281 OG SER A 21 28.524 -20.251 -3.522 1.00 0.00 O ATOM 0 H SER A 21 30.015 -20.864 -6.145 1.00 0.00 H new ATOM 0 HA SER A 21 31.705 -19.713 -4.167 1.00 0.00 H new ATOM 0 HB2 SER A 21 29.788 -18.626 -3.522 1.00 0.00 H new ATOM 0 HB3 SER A 21 29.243 -19.148 -5.104 1.00 0.00 H new ATOM 0 HG SER A 21 28.060 -20.779 -4.205 1.00 0.00 H new ATOM 287 N ILE A 22 30.172 -22.532 -3.448 1.00 0.00 N ATOM 288 CA ILE A 22 30.128 -23.636 -2.497 1.00 0.00 C ATOM 289 C ILE A 22 31.181 -24.688 -2.828 1.00 0.00 C ATOM 290 O ILE A 22 31.080 -25.839 -2.403 1.00 0.00 O ATOM 291 CB ILE A 22 28.741 -24.304 -2.474 1.00 0.00 C ATOM 292 CG1 ILE A 22 28.386 -24.842 -3.862 1.00 0.00 C ATOM 293 CG2 ILE A 22 27.685 -23.317 -1.998 1.00 0.00 C ATOM 294 CD1 ILE A 22 27.039 -25.528 -3.918 1.00 0.00 C ATOM 0 H ILE A 22 29.628 -22.685 -4.297 1.00 0.00 H new ATOM 0 HA ILE A 22 30.335 -23.214 -1.514 1.00 0.00 H new ATOM 0 HB ILE A 22 28.770 -25.141 -1.776 1.00 0.00 H new ATOM 0 HG12 ILE A 22 28.395 -24.018 -4.575 1.00 0.00 H new ATOM 0 HG13 ILE A 22 29.156 -25.545 -4.178 1.00 0.00 H new ATOM 0 HG21 ILE A 22 26.710 -23.804 -1.987 1.00 0.00 H new ATOM 0 HG22 ILE A 22 27.932 -22.977 -0.992 1.00 0.00 H new ATOM 0 HG23 ILE A 22 27.656 -22.462 -2.673 1.00 0.00 H new ATOM 0 HD11 ILE A 22 26.854 -25.884 -4.931 1.00 0.00 H new ATOM 0 HD12 ILE A 22 27.032 -26.373 -3.230 1.00 0.00 H new ATOM 0 HD13 ILE A 22 26.259 -24.822 -3.633 1.00 0.00 H new ATOM 306 N LYS A 23 32.194 -24.285 -3.588 1.00 0.00 N ATOM 307 CA LYS A 23 33.269 -25.191 -3.975 1.00 0.00 C ATOM 308 C LYS A 23 32.708 -26.472 -4.584 1.00 0.00 C ATOM 309 O LYS A 23 33.097 -27.574 -4.199 1.00 0.00 O ATOM 310 CB LYS A 23 34.140 -25.528 -2.762 1.00 0.00 C ATOM 311 CG LYS A 23 35.064 -24.398 -2.344 1.00 0.00 C ATOM 312 CD LYS A 23 36.400 -24.476 -3.064 1.00 0.00 C ATOM 313 CE LYS A 23 37.498 -24.995 -2.148 1.00 0.00 C ATOM 314 NZ LYS A 23 38.342 -26.021 -2.820 1.00 0.00 N ATOM 0 H LYS A 23 32.293 -23.336 -3.948 1.00 0.00 H new ATOM 0 HA LYS A 23 33.880 -24.691 -4.726 1.00 0.00 H new ATOM 0 HB2 LYS A 23 33.495 -25.788 -1.923 1.00 0.00 H new ATOM 0 HB3 LYS A 23 34.738 -26.410 -2.989 1.00 0.00 H new ATOM 0 HG2 LYS A 23 34.589 -23.440 -2.558 1.00 0.00 H new ATOM 0 HG3 LYS A 23 35.227 -24.439 -1.267 1.00 0.00 H new ATOM 0 HD2 LYS A 23 36.309 -25.130 -3.931 1.00 0.00 H new ATOM 0 HD3 LYS A 23 36.672 -23.488 -3.436 1.00 0.00 H new ATOM 0 HE2 LYS A 23 38.125 -24.164 -1.825 1.00 0.00 H new ATOM 0 HE3 LYS A 23 37.050 -25.424 -1.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 39.078 -26.349 -2.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 37.749 -26.826 -3.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 38.790 -25.605 -3.662 1.00 0.00 H new ATOM 328 N MET A 24 31.794 -26.318 -5.536 1.00 0.00 N ATOM 329 CA MET A 24 31.183 -27.464 -6.200 1.00 0.00 C ATOM 330 C MET A 24 31.041 -27.212 -7.698 1.00 0.00 C ATOM 331 O MET A 24 30.199 -27.819 -8.360 1.00 0.00 O ATOM 332 CB MET A 24 29.813 -27.764 -5.589 1.00 0.00 C ATOM 333 CG MET A 24 29.877 -28.179 -4.128 1.00 0.00 C ATOM 334 SD MET A 24 29.979 -29.967 -3.918 1.00 0.00 S ATOM 335 CE MET A 24 31.621 -30.133 -3.222 1.00 0.00 C ATOM 0 H MET A 24 31.460 -25.412 -5.865 1.00 0.00 H new ATOM 0 HA MET A 24 31.834 -28.326 -6.055 1.00 0.00 H new ATOM 0 HB2 MET A 24 29.182 -26.880 -5.680 1.00 0.00 H new ATOM 0 HB3 MET A 24 29.334 -28.557 -6.163 1.00 0.00 H new ATOM 0 HG2 MET A 24 30.743 -27.712 -3.659 1.00 0.00 H new ATOM 0 HG3 MET A 24 28.994 -27.806 -3.609 1.00 0.00 H new ATOM 0 HE1 MET A 24 31.598 -30.852 -2.403 1.00 0.00 H new ATOM 0 HE2 MET A 24 32.309 -30.482 -3.992 1.00 0.00 H new ATOM 0 HE3 MET A 24 31.957 -29.166 -2.847 1.00 0.00 H new ATOM 345 N GLN A 25 31.868 -26.315 -8.224 1.00 0.00 N ATOM 346 CA GLN A 25 31.832 -25.983 -9.643 1.00 0.00 C ATOM 347 C GLN A 25 32.033 -27.230 -10.499 1.00 0.00 C ATOM 348 O GLN A 25 31.619 -27.272 -11.657 1.00 0.00 O ATOM 349 CB GLN A 25 32.906 -24.945 -9.973 1.00 0.00 C ATOM 350 CG GLN A 25 34.325 -25.458 -9.786 1.00 0.00 C ATOM 351 CD GLN A 25 34.795 -25.362 -8.348 1.00 0.00 C ATOM 352 OE1 GLN A 25 35.269 -26.342 -7.771 1.00 0.00 O ATOM 353 NE2 GLN A 25 34.666 -24.178 -7.760 1.00 0.00 N ATOM 0 H GLN A 25 32.571 -25.805 -7.689 1.00 0.00 H new ATOM 0 HA GLN A 25 30.851 -25.564 -9.868 1.00 0.00 H new ATOM 0 HB2 GLN A 25 32.779 -24.619 -11.005 1.00 0.00 H new ATOM 0 HB3 GLN A 25 32.759 -24.069 -9.342 1.00 0.00 H new ATOM 0 HG2 GLN A 25 34.378 -26.496 -10.113 1.00 0.00 H new ATOM 0 HG3 GLN A 25 35.000 -24.888 -10.424 1.00 0.00 H new ATOM 0 HE21 GLN A 25 34.268 -23.393 -8.276 1.00 0.00 H new ATOM 0 HE22 GLN A 25 34.965 -24.054 -6.793 1.00 0.00 H new ATOM 362 N GLN A 26 32.670 -28.242 -9.920 1.00 0.00 N ATOM 363 CA GLN A 26 32.926 -29.489 -10.631 1.00 0.00 C ATOM 364 C GLN A 26 31.620 -30.197 -10.977 1.00 0.00 C ATOM 365 O GLN A 26 31.559 -30.980 -11.925 1.00 0.00 O ATOM 366 CB GLN A 26 33.810 -30.410 -9.787 1.00 0.00 C ATOM 367 CG GLN A 26 33.101 -30.989 -8.574 1.00 0.00 C ATOM 368 CD GLN A 26 33.983 -31.016 -7.340 1.00 0.00 C ATOM 369 OE1 GLN A 26 34.555 -29.998 -6.950 1.00 0.00 O ATOM 370 NE2 GLN A 26 34.097 -32.184 -6.719 1.00 0.00 N ATOM 0 H GLN A 26 33.018 -28.223 -8.961 1.00 0.00 H new ATOM 0 HA GLN A 26 33.445 -29.248 -11.559 1.00 0.00 H new ATOM 0 HB2 GLN A 26 34.170 -31.228 -10.412 1.00 0.00 H new ATOM 0 HB3 GLN A 26 34.686 -29.854 -9.454 1.00 0.00 H new ATOM 0 HG2 GLN A 26 32.208 -30.400 -8.365 1.00 0.00 H new ATOM 0 HG3 GLN A 26 32.769 -32.002 -8.801 1.00 0.00 H new ATOM 0 HE21 GLN A 26 33.605 -33.002 -7.077 1.00 0.00 H new ATOM 0 HE22 GLN A 26 34.677 -32.263 -5.884 1.00 0.00 H new ATOM 379 N TYR A 27 30.578 -29.915 -10.203 1.00 0.00 N ATOM 380 CA TYR A 27 29.273 -30.527 -10.426 1.00 0.00 C ATOM 381 C TYR A 27 28.472 -29.740 -11.458 1.00 0.00 C ATOM 382 O TYR A 27 27.460 -30.217 -11.973 1.00 0.00 O ATOM 383 CB TYR A 27 28.493 -30.608 -9.112 1.00 0.00 C ATOM 384 CG TYR A 27 28.822 -31.832 -8.288 1.00 0.00 C ATOM 385 CD1 TYR A 27 28.770 -33.104 -8.844 1.00 0.00 C ATOM 386 CD2 TYR A 27 29.185 -31.716 -6.951 1.00 0.00 C ATOM 387 CE1 TYR A 27 29.068 -34.224 -8.094 1.00 0.00 C ATOM 388 CE2 TYR A 27 29.487 -32.831 -6.194 1.00 0.00 C ATOM 389 CZ TYR A 27 29.427 -34.083 -6.770 1.00 0.00 C ATOM 390 OH TYR A 27 29.726 -35.197 -6.019 1.00 0.00 O ATOM 0 H TYR A 27 30.611 -29.267 -9.416 1.00 0.00 H new ATOM 0 HA TYR A 27 29.433 -31.535 -10.808 1.00 0.00 H new ATOM 0 HB2 TYR A 27 28.700 -29.716 -8.521 1.00 0.00 H new ATOM 0 HB3 TYR A 27 27.425 -30.604 -9.332 1.00 0.00 H new ATOM 0 HD1 TYR A 27 28.492 -33.219 -9.881 1.00 0.00 H new ATOM 0 HD2 TYR A 27 29.232 -30.737 -6.497 1.00 0.00 H new ATOM 0 HE1 TYR A 27 29.020 -35.206 -8.542 1.00 0.00 H new ATOM 0 HE2 TYR A 27 29.769 -32.723 -5.157 1.00 0.00 H new ATOM 0 HH TYR A 27 30.022 -34.920 -5.127 1.00 0.00 H new ATOM 400 N THR A 28 28.932 -28.529 -11.757 1.00 0.00 N ATOM 401 CA THR A 28 28.260 -27.674 -12.728 1.00 0.00 C ATOM 402 C THR A 28 28.017 -28.415 -14.038 1.00 0.00 C ATOM 403 O THR A 28 26.952 -28.290 -14.643 1.00 0.00 O ATOM 404 CB THR A 28 29.077 -26.400 -13.015 1.00 0.00 C ATOM 405 OG1 THR A 28 29.301 -25.677 -11.800 1.00 0.00 O ATOM 406 CG2 THR A 28 28.356 -25.510 -14.016 1.00 0.00 C ATOM 0 H THR A 28 29.768 -28.118 -11.340 1.00 0.00 H new ATOM 0 HA THR A 28 27.302 -27.391 -12.291 1.00 0.00 H new ATOM 0 HB THR A 28 30.035 -26.697 -13.441 1.00 0.00 H new ATOM 0 HG1 THR A 28 29.951 -24.961 -11.960 1.00 0.00 H new ATOM 0 HG21 THR A 28 28.951 -24.616 -14.203 1.00 0.00 H new ATOM 0 HG22 THR A 28 28.214 -26.054 -14.950 1.00 0.00 H new ATOM 0 HG23 THR A 28 27.385 -25.221 -13.613 1.00 0.00 H new ATOM 414 N GLU A 29 29.009 -29.186 -14.469 1.00 0.00 N ATOM 415 CA GLU A 29 28.901 -29.946 -15.709 1.00 0.00 C ATOM 416 C GLU A 29 27.696 -30.882 -15.670 1.00 0.00 C ATOM 417 O GLU A 29 27.088 -31.172 -16.700 1.00 0.00 O ATOM 418 CB GLU A 29 30.179 -30.753 -15.951 1.00 0.00 C ATOM 419 CG GLU A 29 31.426 -29.894 -16.079 1.00 0.00 C ATOM 420 CD GLU A 29 32.588 -30.427 -15.264 1.00 0.00 C ATOM 421 OE1 GLU A 29 33.300 -31.323 -15.764 1.00 0.00 O ATOM 422 OE2 GLU A 29 32.785 -29.950 -14.127 1.00 0.00 O ATOM 0 H GLU A 29 29.896 -29.301 -13.979 1.00 0.00 H new ATOM 0 HA GLU A 29 28.765 -29.239 -16.528 1.00 0.00 H new ATOM 0 HB2 GLU A 29 30.315 -31.457 -15.130 1.00 0.00 H new ATOM 0 HB3 GLU A 29 30.060 -31.343 -16.860 1.00 0.00 H new ATOM 0 HG2 GLU A 29 31.718 -29.838 -17.128 1.00 0.00 H new ATOM 0 HG3 GLU A 29 31.197 -28.878 -15.757 1.00 0.00 H new ATOM 429 N HIS A 30 27.358 -31.352 -14.473 1.00 0.00 N ATOM 430 CA HIS A 30 26.226 -32.255 -14.299 1.00 0.00 C ATOM 431 C HIS A 30 24.913 -31.479 -14.260 1.00 0.00 C ATOM 432 O HIS A 30 23.925 -31.879 -14.876 1.00 0.00 O ATOM 433 CB HIS A 30 26.389 -33.069 -13.015 1.00 0.00 C ATOM 434 CG HIS A 30 27.524 -34.044 -13.065 1.00 0.00 C ATOM 435 ND1 HIS A 30 28.812 -33.684 -13.403 1.00 0.00 N ATOM 436 CD2 HIS A 30 27.561 -35.374 -12.814 1.00 0.00 C ATOM 437 CE1 HIS A 30 29.590 -34.750 -13.361 1.00 0.00 C ATOM 438 NE2 HIS A 30 28.856 -35.789 -13.005 1.00 0.00 N ATOM 0 H HIS A 30 27.851 -31.123 -13.610 1.00 0.00 H new ATOM 0 HA HIS A 30 26.201 -32.935 -15.151 1.00 0.00 H new ATOM 0 HB2 HIS A 30 26.543 -32.387 -12.179 1.00 0.00 H new ATOM 0 HB3 HIS A 30 25.464 -33.611 -12.818 1.00 0.00 H new ATOM 0 HD2 HIS A 30 26.727 -35.993 -12.519 1.00 0.00 H new ATOM 0 HE1 HIS A 30 30.647 -34.769 -13.581 1.00 0.00 H new ATOM 0 HE2 HIS A 30 29.196 -36.744 -12.891 1.00 0.00 H new ATOM 446 N PHE A 31 24.909 -30.368 -13.531 1.00 0.00 N ATOM 447 CA PHE A 31 23.717 -29.536 -13.410 1.00 0.00 C ATOM 448 C PHE A 31 23.160 -29.182 -14.785 1.00 0.00 C ATOM 449 O PHE A 31 21.946 -29.125 -14.979 1.00 0.00 O ATOM 450 CB PHE A 31 24.038 -28.258 -12.632 1.00 0.00 C ATOM 451 CG PHE A 31 23.868 -28.402 -11.147 1.00 0.00 C ATOM 452 CD1 PHE A 31 22.647 -28.134 -10.547 1.00 0.00 C ATOM 453 CD2 PHE A 31 24.927 -28.805 -10.350 1.00 0.00 C ATOM 454 CE1 PHE A 31 22.488 -28.265 -9.180 1.00 0.00 C ATOM 455 CE2 PHE A 31 24.774 -28.938 -8.983 1.00 0.00 C ATOM 456 CZ PHE A 31 23.553 -28.668 -8.398 1.00 0.00 C ATOM 0 H PHE A 31 25.718 -30.023 -13.015 1.00 0.00 H new ATOM 0 HA PHE A 31 22.961 -30.103 -12.866 1.00 0.00 H new ATOM 0 HB2 PHE A 31 25.065 -27.961 -12.845 1.00 0.00 H new ATOM 0 HB3 PHE A 31 23.393 -27.454 -12.987 1.00 0.00 H new ATOM 0 HD1 PHE A 31 21.811 -27.819 -11.154 1.00 0.00 H new ATOM 0 HD2 PHE A 31 25.884 -29.018 -10.803 1.00 0.00 H new ATOM 0 HE1 PHE A 31 21.532 -28.053 -8.724 1.00 0.00 H new ATOM 0 HE2 PHE A 31 25.608 -29.253 -8.373 1.00 0.00 H new ATOM 0 HZ PHE A 31 23.431 -28.772 -7.330 1.00 0.00 H new ATOM 466 N MET A 32 24.056 -28.944 -15.737 1.00 0.00 N ATOM 467 CA MET A 32 23.654 -28.595 -17.095 1.00 0.00 C ATOM 468 C MET A 32 22.922 -29.756 -17.760 1.00 0.00 C ATOM 469 O MET A 32 21.883 -29.566 -18.393 1.00 0.00 O ATOM 470 CB MET A 32 24.877 -28.204 -17.927 1.00 0.00 C ATOM 471 CG MET A 32 25.632 -27.007 -17.373 1.00 0.00 C ATOM 472 SD MET A 32 25.689 -25.626 -18.530 1.00 0.00 S ATOM 473 CE MET A 32 25.263 -24.262 -17.450 1.00 0.00 C ATOM 0 H MET A 32 25.065 -28.986 -15.593 1.00 0.00 H new ATOM 0 HA MET A 32 22.975 -27.744 -17.039 1.00 0.00 H new ATOM 0 HB2 MET A 32 25.555 -29.056 -17.984 1.00 0.00 H new ATOM 0 HB3 MET A 32 24.558 -27.982 -18.945 1.00 0.00 H new ATOM 0 HG2 MET A 32 25.159 -26.681 -16.447 1.00 0.00 H new ATOM 0 HG3 MET A 32 26.649 -27.308 -17.122 1.00 0.00 H new ATOM 0 HE1 MET A 32 25.813 -23.371 -17.755 1.00 0.00 H new ATOM 0 HE2 MET A 32 24.192 -24.067 -17.515 1.00 0.00 H new ATOM 0 HE3 MET A 32 25.524 -24.516 -16.423 1.00 0.00 H new ATOM 483 N ALA A 33 23.470 -30.958 -17.613 1.00 0.00 N ATOM 484 CA ALA A 33 22.867 -32.149 -18.198 1.00 0.00 C ATOM 485 C ALA A 33 21.590 -32.537 -17.461 1.00 0.00 C ATOM 486 O ALA A 33 20.692 -33.151 -18.036 1.00 0.00 O ATOM 487 CB ALA A 33 23.858 -33.303 -18.184 1.00 0.00 C ATOM 0 H ALA A 33 24.330 -31.132 -17.094 1.00 0.00 H new ATOM 0 HA ALA A 33 22.604 -31.923 -19.231 1.00 0.00 H new ATOM 0 HB1 ALA A 33 23.394 -34.186 -18.624 1.00 0.00 H new ATOM 0 HB2 ALA A 33 24.741 -33.031 -18.762 1.00 0.00 H new ATOM 0 HB3 ALA A 33 24.149 -33.520 -17.156 1.00 0.00 H new ATOM 493 N ALA A 34 21.516 -32.175 -16.184 1.00 0.00 N ATOM 494 CA ALA A 34 20.348 -32.484 -15.369 1.00 0.00 C ATOM 495 C ALA A 34 19.158 -31.615 -15.763 1.00 0.00 C ATOM 496 O ALA A 34 18.006 -31.992 -15.554 1.00 0.00 O ATOM 497 CB ALA A 34 20.671 -32.302 -13.894 1.00 0.00 C ATOM 0 H ALA A 34 22.251 -31.667 -15.692 1.00 0.00 H new ATOM 0 HA ALA A 34 20.078 -33.525 -15.545 1.00 0.00 H new ATOM 0 HB1 ALA A 34 19.790 -32.536 -13.297 1.00 0.00 H new ATOM 0 HB2 ALA A 34 21.486 -32.970 -13.615 1.00 0.00 H new ATOM 0 HB3 ALA A 34 20.969 -31.270 -13.711 1.00 0.00 H new ATOM 503 N GLY A 35 19.445 -30.449 -16.334 1.00 0.00 N ATOM 504 CA GLY A 35 18.388 -29.545 -16.747 1.00 0.00 C ATOM 505 C GLY A 35 18.353 -28.277 -15.917 1.00 0.00 C ATOM 506 O GLY A 35 17.337 -27.582 -15.876 1.00 0.00 O ATOM 0 H GLY A 35 20.391 -30.115 -16.518 1.00 0.00 H new ATOM 0 HA2 GLY A 35 18.526 -29.285 -17.797 1.00 0.00 H new ATOM 0 HA3 GLY A 35 17.427 -30.054 -16.668 1.00 0.00 H new ATOM 510 N TYR A 36 19.463 -27.976 -15.253 1.00 0.00 N ATOM 511 CA TYR A 36 19.554 -26.785 -14.417 1.00 0.00 C ATOM 512 C TYR A 36 20.655 -25.853 -14.914 1.00 0.00 C ATOM 513 O TYR A 36 21.737 -25.783 -14.330 1.00 0.00 O ATOM 514 CB TYR A 36 19.820 -27.176 -12.962 1.00 0.00 C ATOM 515 CG TYR A 36 18.880 -28.239 -12.440 1.00 0.00 C ATOM 516 CD1 TYR A 36 17.502 -28.080 -12.527 1.00 0.00 C ATOM 517 CD2 TYR A 36 19.369 -29.403 -11.859 1.00 0.00 C ATOM 518 CE1 TYR A 36 16.640 -29.048 -12.051 1.00 0.00 C ATOM 519 CE2 TYR A 36 18.514 -30.377 -11.381 1.00 0.00 C ATOM 520 CZ TYR A 36 17.150 -30.195 -11.479 1.00 0.00 C ATOM 521 OH TYR A 36 16.295 -31.162 -11.004 1.00 0.00 O ATOM 0 H TYR A 36 20.312 -28.540 -15.277 1.00 0.00 H new ATOM 0 HA TYR A 36 18.602 -26.257 -14.476 1.00 0.00 H new ATOM 0 HB2 TYR A 36 20.846 -27.534 -12.872 1.00 0.00 H new ATOM 0 HB3 TYR A 36 19.736 -26.289 -12.335 1.00 0.00 H new ATOM 0 HD1 TYR A 36 17.098 -27.184 -12.975 1.00 0.00 H new ATOM 0 HD2 TYR A 36 20.436 -29.549 -11.780 1.00 0.00 H new ATOM 0 HE1 TYR A 36 15.572 -28.908 -12.126 1.00 0.00 H new ATOM 0 HE2 TYR A 36 18.911 -31.276 -10.933 1.00 0.00 H new ATOM 0 HH TYR A 36 15.722 -30.778 -10.308 1.00 0.00 H new ATOM 531 N THR A 37 20.370 -25.136 -15.997 1.00 0.00 N ATOM 532 CA THR A 37 21.335 -24.208 -16.574 1.00 0.00 C ATOM 533 C THR A 37 21.118 -22.793 -16.050 1.00 0.00 C ATOM 534 O THR A 37 22.037 -21.975 -16.045 1.00 0.00 O ATOM 535 CB THR A 37 21.248 -24.193 -18.112 1.00 0.00 C ATOM 536 OG1 THR A 37 20.062 -23.508 -18.529 1.00 0.00 O ATOM 537 CG2 THR A 37 21.245 -25.609 -18.668 1.00 0.00 C ATOM 0 H THR A 37 19.479 -25.180 -16.492 1.00 0.00 H new ATOM 0 HA THR A 37 22.325 -24.555 -16.276 1.00 0.00 H new ATOM 0 HB THR A 37 22.123 -23.670 -18.498 1.00 0.00 H new ATOM 0 HG1 THR A 37 20.015 -23.501 -19.508 1.00 0.00 H new ATOM 0 HG21 THR A 37 21.183 -25.573 -19.756 1.00 0.00 H new ATOM 0 HG22 THR A 37 22.163 -26.117 -18.374 1.00 0.00 H new ATOM 0 HG23 THR A 37 20.387 -26.153 -18.274 1.00 0.00 H new ATOM 545 N ALA A 38 19.896 -22.511 -15.610 1.00 0.00 N ATOM 546 CA ALA A 38 19.560 -21.195 -15.081 1.00 0.00 C ATOM 547 C ALA A 38 19.086 -21.289 -13.635 1.00 0.00 C ATOM 548 O ALA A 38 18.398 -22.238 -13.258 1.00 0.00 O ATOM 549 CB ALA A 38 18.495 -20.535 -15.945 1.00 0.00 C ATOM 0 H ALA A 38 19.123 -23.176 -15.609 1.00 0.00 H new ATOM 0 HA ALA A 38 20.461 -20.582 -15.102 1.00 0.00 H new ATOM 0 HB1 ALA A 38 18.254 -19.553 -15.538 1.00 0.00 H new ATOM 0 HB2 ALA A 38 18.869 -20.424 -16.963 1.00 0.00 H new ATOM 0 HB3 ALA A 38 17.598 -21.154 -15.954 1.00 0.00 H new ATOM 555 N ILE A 39 19.459 -20.301 -12.829 1.00 0.00 N ATOM 556 CA ILE A 39 19.072 -20.273 -11.424 1.00 0.00 C ATOM 557 C ILE A 39 17.557 -20.358 -11.270 1.00 0.00 C ATOM 558 O ILE A 39 17.053 -20.808 -10.242 1.00 0.00 O ATOM 559 CB ILE A 39 19.576 -18.996 -10.726 1.00 0.00 C ATOM 560 CG1 ILE A 39 21.099 -18.896 -10.838 1.00 0.00 C ATOM 561 CG2 ILE A 39 19.145 -18.984 -9.267 1.00 0.00 C ATOM 562 CD1 ILE A 39 21.829 -20.062 -10.209 1.00 0.00 C ATOM 0 H ILE A 39 20.029 -19.509 -13.125 1.00 0.00 H new ATOM 0 HA ILE A 39 19.533 -21.141 -10.952 1.00 0.00 H new ATOM 0 HB ILE A 39 19.136 -18.131 -11.221 1.00 0.00 H new ATOM 0 HG12 ILE A 39 21.374 -18.831 -11.891 1.00 0.00 H new ATOM 0 HG13 ILE A 39 21.430 -17.972 -10.364 1.00 0.00 H new ATOM 0 HG21 ILE A 39 19.509 -18.075 -8.788 1.00 0.00 H new ATOM 0 HG22 ILE A 39 18.057 -19.014 -9.209 1.00 0.00 H new ATOM 0 HG23 ILE A 39 19.560 -19.854 -8.758 1.00 0.00 H new ATOM 0 HD11 ILE A 39 22.904 -19.924 -10.326 1.00 0.00 H new ATOM 0 HD12 ILE A 39 21.583 -20.116 -9.148 1.00 0.00 H new ATOM 0 HD13 ILE A 39 21.527 -20.988 -10.699 1.00 0.00 H new ATOM 574 N GLU A 40 16.837 -19.924 -12.300 1.00 0.00 N ATOM 575 CA GLU A 40 15.380 -19.953 -12.279 1.00 0.00 C ATOM 576 C GLU A 40 14.866 -21.378 -12.096 1.00 0.00 C ATOM 577 O GLU A 40 13.793 -21.596 -11.532 1.00 0.00 O ATOM 578 CB GLU A 40 14.817 -19.358 -13.571 1.00 0.00 C ATOM 579 CG GLU A 40 15.457 -18.036 -13.962 1.00 0.00 C ATOM 580 CD GLU A 40 14.542 -17.173 -14.808 1.00 0.00 C ATOM 581 OE1 GLU A 40 13.341 -17.080 -14.478 1.00 0.00 O ATOM 582 OE2 GLU A 40 15.026 -16.590 -15.801 1.00 0.00 O ATOM 0 H GLU A 40 17.239 -19.548 -13.159 1.00 0.00 H new ATOM 0 HA GLU A 40 15.043 -19.353 -11.434 1.00 0.00 H new ATOM 0 HB2 GLU A 40 14.957 -20.073 -14.381 1.00 0.00 H new ATOM 0 HB3 GLU A 40 13.743 -19.212 -13.456 1.00 0.00 H new ATOM 0 HG2 GLU A 40 15.734 -17.490 -13.060 1.00 0.00 H new ATOM 0 HG3 GLU A 40 16.378 -18.231 -14.512 1.00 0.00 H new ATOM 589 N LYS A 41 15.639 -22.345 -12.577 1.00 0.00 N ATOM 590 CA LYS A 41 15.265 -23.750 -12.467 1.00 0.00 C ATOM 591 C LYS A 41 15.941 -24.401 -11.265 1.00 0.00 C ATOM 592 O LYS A 41 15.366 -25.273 -10.613 1.00 0.00 O ATOM 593 CB LYS A 41 15.643 -24.501 -13.746 1.00 0.00 C ATOM 594 CG LYS A 41 15.018 -23.917 -15.001 1.00 0.00 C ATOM 595 CD LYS A 41 16.076 -23.499 -16.009 1.00 0.00 C ATOM 596 CE LYS A 41 15.548 -22.441 -16.965 1.00 0.00 C ATOM 597 NZ LYS A 41 15.703 -22.851 -18.388 1.00 0.00 N ATOM 0 H LYS A 41 16.529 -22.182 -13.047 1.00 0.00 H new ATOM 0 HA LYS A 41 14.185 -23.803 -12.327 1.00 0.00 H new ATOM 0 HB2 LYS A 41 16.728 -24.495 -13.854 1.00 0.00 H new ATOM 0 HB3 LYS A 41 15.338 -25.543 -13.649 1.00 0.00 H new ATOM 0 HG2 LYS A 41 14.354 -24.653 -15.454 1.00 0.00 H new ATOM 0 HG3 LYS A 41 14.406 -23.055 -14.736 1.00 0.00 H new ATOM 0 HD2 LYS A 41 16.949 -23.112 -15.483 1.00 0.00 H new ATOM 0 HD3 LYS A 41 16.405 -24.370 -16.575 1.00 0.00 H new ATOM 0 HE2 LYS A 41 14.495 -22.254 -16.754 1.00 0.00 H new ATOM 0 HE3 LYS A 41 16.078 -21.503 -16.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 15.331 -22.103 -19.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 16.710 -23.005 -18.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 15.176 -23.732 -18.555 1.00 0.00 H new ATOM 611 N VAL A 42 17.165 -23.971 -10.975 1.00 0.00 N ATOM 612 CA VAL A 42 17.918 -24.510 -9.849 1.00 0.00 C ATOM 613 C VAL A 42 17.165 -24.312 -8.539 1.00 0.00 C ATOM 614 O VAL A 42 17.381 -25.039 -7.569 1.00 0.00 O ATOM 615 CB VAL A 42 19.306 -23.852 -9.736 1.00 0.00 C ATOM 616 CG1 VAL A 42 20.061 -24.400 -8.535 1.00 0.00 C ATOM 617 CG2 VAL A 42 20.101 -24.061 -11.016 1.00 0.00 C ATOM 0 H VAL A 42 17.656 -23.251 -11.505 1.00 0.00 H new ATOM 0 HA VAL A 42 18.044 -25.577 -10.034 1.00 0.00 H new ATOM 0 HB VAL A 42 19.169 -22.780 -9.591 1.00 0.00 H new ATOM 0 HG11 VAL A 42 21.039 -23.923 -8.472 1.00 0.00 H new ATOM 0 HG12 VAL A 42 19.497 -24.193 -7.625 1.00 0.00 H new ATOM 0 HG13 VAL A 42 20.189 -25.477 -8.646 1.00 0.00 H new ATOM 0 HG21 VAL A 42 21.079 -23.589 -10.918 1.00 0.00 H new ATOM 0 HG22 VAL A 42 20.229 -25.129 -11.194 1.00 0.00 H new ATOM 0 HG23 VAL A 42 19.565 -23.615 -11.854 1.00 0.00 H new ATOM 627 N VAL A 43 16.279 -23.321 -8.516 1.00 0.00 N ATOM 628 CA VAL A 43 15.492 -23.027 -7.325 1.00 0.00 C ATOM 629 C VAL A 43 14.273 -23.939 -7.232 1.00 0.00 C ATOM 630 O VAL A 43 13.743 -24.173 -6.147 1.00 0.00 O ATOM 631 CB VAL A 43 15.023 -21.560 -7.310 1.00 0.00 C ATOM 632 CG1 VAL A 43 16.218 -20.618 -7.285 1.00 0.00 C ATOM 633 CG2 VAL A 43 14.132 -21.273 -8.509 1.00 0.00 C ATOM 0 H VAL A 43 16.089 -22.708 -9.309 1.00 0.00 H new ATOM 0 HA VAL A 43 16.140 -23.203 -6.467 1.00 0.00 H new ATOM 0 HB VAL A 43 14.439 -21.392 -6.405 1.00 0.00 H new ATOM 0 HG11 VAL A 43 15.868 -19.586 -7.275 1.00 0.00 H new ATOM 0 HG12 VAL A 43 16.813 -20.808 -6.392 1.00 0.00 H new ATOM 0 HG13 VAL A 43 16.831 -20.784 -8.171 1.00 0.00 H new ATOM 0 HG21 VAL A 43 13.810 -20.232 -8.482 1.00 0.00 H new ATOM 0 HG22 VAL A 43 14.688 -21.457 -9.428 1.00 0.00 H new ATOM 0 HG23 VAL A 43 13.258 -21.924 -8.477 1.00 0.00 H new ATOM 643 N GLN A 44 13.836 -24.450 -8.378 1.00 0.00 N ATOM 644 CA GLN A 44 12.679 -25.337 -8.426 1.00 0.00 C ATOM 645 C GLN A 44 13.058 -26.750 -7.993 1.00 0.00 C ATOM 646 O GLN A 44 12.273 -27.443 -7.348 1.00 0.00 O ATOM 647 CB GLN A 44 12.089 -25.364 -9.837 1.00 0.00 C ATOM 648 CG GLN A 44 11.715 -23.989 -10.366 1.00 0.00 C ATOM 649 CD GLN A 44 10.578 -24.038 -11.367 1.00 0.00 C ATOM 650 OE1 GLN A 44 9.405 -24.006 -10.994 1.00 0.00 O ATOM 651 NE2 GLN A 44 10.919 -24.116 -12.648 1.00 0.00 N ATOM 0 H GLN A 44 14.265 -24.266 -9.285 1.00 0.00 H new ATOM 0 HA GLN A 44 11.929 -24.953 -7.734 1.00 0.00 H new ATOM 0 HB2 GLN A 44 12.810 -25.821 -10.515 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.203 -25.998 -9.839 1.00 0.00 H new ATOM 0 HG2 GLN A 44 11.432 -23.348 -9.531 1.00 0.00 H new ATOM 0 HG3 GLN A 44 12.588 -23.535 -10.835 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.904 -24.140 -12.913 1.00 0.00 H new ATOM 0 HE22 GLN A 44 10.196 -24.152 -13.367 1.00 0.00 H new ATOM 660 N MET A 45 14.266 -27.170 -8.355 1.00 0.00 N ATOM 661 CA MET A 45 14.749 -28.500 -8.003 1.00 0.00 C ATOM 662 C MET A 45 14.698 -28.716 -6.494 1.00 0.00 C ATOM 663 O MET A 45 14.880 -27.778 -5.716 1.00 0.00 O ATOM 664 CB MET A 45 16.178 -28.698 -8.510 1.00 0.00 C ATOM 665 CG MET A 45 17.218 -27.929 -7.712 1.00 0.00 C ATOM 666 SD MET A 45 18.327 -29.012 -6.790 1.00 0.00 S ATOM 667 CE MET A 45 19.221 -29.799 -8.127 1.00 0.00 C ATOM 0 H MET A 45 14.928 -26.609 -8.891 1.00 0.00 H new ATOM 0 HA MET A 45 14.098 -29.233 -8.479 1.00 0.00 H new ATOM 0 HB2 MET A 45 16.421 -29.760 -8.480 1.00 0.00 H new ATOM 0 HB3 MET A 45 16.231 -28.388 -9.554 1.00 0.00 H new ATOM 0 HG2 MET A 45 17.804 -27.308 -8.390 1.00 0.00 H new ATOM 0 HG3 MET A 45 16.714 -27.256 -7.018 1.00 0.00 H new ATOM 0 HE1 MET A 45 20.179 -30.165 -7.758 1.00 0.00 H new ATOM 0 HE2 MET A 45 18.637 -30.635 -8.513 1.00 0.00 H new ATOM 0 HE3 MET A 45 19.392 -29.077 -8.925 1.00 0.00 H new ATOM 677 N THR A 46 14.449 -29.956 -6.085 1.00 0.00 N ATOM 678 CA THR A 46 14.373 -30.294 -4.669 1.00 0.00 C ATOM 679 C THR A 46 15.622 -31.040 -4.214 1.00 0.00 C ATOM 680 O THR A 46 16.483 -31.380 -5.024 1.00 0.00 O ATOM 681 CB THR A 46 13.134 -31.156 -4.363 1.00 0.00 C ATOM 682 OG1 THR A 46 12.969 -31.291 -2.947 1.00 0.00 O ATOM 683 CG2 THR A 46 13.263 -32.532 -4.997 1.00 0.00 C ATOM 0 H THR A 46 14.296 -30.744 -6.715 1.00 0.00 H new ATOM 0 HA THR A 46 14.296 -29.354 -4.123 1.00 0.00 H new ATOM 0 HB THR A 46 12.260 -30.660 -4.784 1.00 0.00 H new ATOM 0 HG1 THR A 46 12.178 -31.839 -2.761 1.00 0.00 H new ATOM 0 HG21 THR A 46 12.376 -33.123 -4.767 1.00 0.00 H new ATOM 0 HG22 THR A 46 13.359 -32.427 -6.078 1.00 0.00 H new ATOM 0 HG23 THR A 46 14.146 -33.034 -4.601 1.00 0.00 H new ATOM 691 N ASN A 47 15.714 -31.292 -2.912 1.00 0.00 N ATOM 692 CA ASN A 47 16.859 -31.998 -2.349 1.00 0.00 C ATOM 693 C ASN A 47 17.114 -33.303 -3.097 1.00 0.00 C ATOM 694 O ASN A 47 18.258 -33.737 -3.237 1.00 0.00 O ATOM 695 CB ASN A 47 16.627 -32.285 -0.864 1.00 0.00 C ATOM 696 CG ASN A 47 16.113 -31.072 -0.114 1.00 0.00 C ATOM 697 OD1 ASN A 47 15.082 -31.133 0.556 1.00 0.00 O ATOM 698 ND2 ASN A 47 16.832 -29.961 -0.224 1.00 0.00 N ATOM 0 H ASN A 47 15.009 -31.018 -2.227 1.00 0.00 H new ATOM 0 HA ASN A 47 17.737 -31.361 -2.456 1.00 0.00 H new ATOM 0 HB2 ASN A 47 15.912 -33.102 -0.762 1.00 0.00 H new ATOM 0 HB3 ASN A 47 17.560 -32.620 -0.411 1.00 0.00 H new ATOM 0 HD21 ASN A 47 16.536 -29.112 0.258 1.00 0.00 H new ATOM 0 HD22 ASN A 47 17.680 -29.956 -0.790 1.00 0.00 H new ATOM 705 N ASP A 48 16.042 -33.924 -3.576 1.00 0.00 N ATOM 706 CA ASP A 48 16.149 -35.178 -4.312 1.00 0.00 C ATOM 707 C ASP A 48 16.917 -34.981 -5.615 1.00 0.00 C ATOM 708 O ASP A 48 17.801 -35.769 -5.951 1.00 0.00 O ATOM 709 CB ASP A 48 14.758 -35.742 -4.606 1.00 0.00 C ATOM 710 CG ASP A 48 14.807 -37.174 -5.103 1.00 0.00 C ATOM 711 OD1 ASP A 48 15.918 -37.740 -5.173 1.00 0.00 O ATOM 712 OD2 ASP A 48 13.734 -37.728 -5.421 1.00 0.00 O ATOM 0 H ASP A 48 15.088 -33.579 -3.468 1.00 0.00 H new ATOM 0 HA ASP A 48 16.697 -35.888 -3.692 1.00 0.00 H new ATOM 0 HB2 ASP A 48 14.151 -35.695 -3.702 1.00 0.00 H new ATOM 0 HB3 ASP A 48 14.266 -35.118 -5.352 1.00 0.00 H new ATOM 717 N ASP A 49 16.573 -33.925 -6.344 1.00 0.00 N ATOM 718 CA ASP A 49 17.230 -33.623 -7.610 1.00 0.00 C ATOM 719 C ASP A 49 18.742 -33.526 -7.428 1.00 0.00 C ATOM 720 O ASP A 49 19.510 -33.876 -8.325 1.00 0.00 O ATOM 721 CB ASP A 49 16.689 -32.316 -8.192 1.00 0.00 C ATOM 722 CG ASP A 49 15.235 -32.425 -8.605 1.00 0.00 C ATOM 723 OD1 ASP A 49 14.680 -33.541 -8.532 1.00 0.00 O ATOM 724 OD2 ASP A 49 14.652 -31.394 -9.002 1.00 0.00 O ATOM 0 H ASP A 49 15.843 -33.264 -6.080 1.00 0.00 H new ATOM 0 HA ASP A 49 17.017 -34.436 -8.304 1.00 0.00 H new ATOM 0 HB2 ASP A 49 16.795 -31.521 -7.454 1.00 0.00 H new ATOM 0 HB3 ASP A 49 17.289 -32.031 -9.056 1.00 0.00 H new ATOM 729 N VAL A 50 19.163 -33.047 -6.262 1.00 0.00 N ATOM 730 CA VAL A 50 20.583 -32.903 -5.962 1.00 0.00 C ATOM 731 C VAL A 50 21.283 -34.257 -5.957 1.00 0.00 C ATOM 732 O VAL A 50 22.497 -34.342 -6.143 1.00 0.00 O ATOM 733 CB VAL A 50 20.802 -32.218 -4.600 1.00 0.00 C ATOM 734 CG1 VAL A 50 22.287 -32.119 -4.286 1.00 0.00 C ATOM 735 CG2 VAL A 50 20.152 -30.843 -4.585 1.00 0.00 C ATOM 0 H VAL A 50 18.541 -32.752 -5.509 1.00 0.00 H new ATOM 0 HA VAL A 50 21.011 -32.279 -6.747 1.00 0.00 H new ATOM 0 HB VAL A 50 20.331 -32.825 -3.827 1.00 0.00 H new ATOM 0 HG11 VAL A 50 22.423 -31.632 -3.320 1.00 0.00 H new ATOM 0 HG12 VAL A 50 22.719 -33.119 -4.253 1.00 0.00 H new ATOM 0 HG13 VAL A 50 22.784 -31.534 -5.060 1.00 0.00 H new ATOM 0 HG21 VAL A 50 20.317 -30.373 -3.615 1.00 0.00 H new ATOM 0 HG22 VAL A 50 20.592 -30.224 -5.367 1.00 0.00 H new ATOM 0 HG23 VAL A 50 19.081 -30.945 -4.762 1.00 0.00 H new ATOM 745 N LYS A 51 20.509 -35.316 -5.742 1.00 0.00 N ATOM 746 CA LYS A 51 21.053 -36.669 -5.714 1.00 0.00 C ATOM 747 C LYS A 51 20.968 -37.319 -7.091 1.00 0.00 C ATOM 748 O LYS A 51 21.687 -38.274 -7.383 1.00 0.00 O ATOM 749 CB LYS A 51 20.303 -37.521 -4.688 1.00 0.00 C ATOM 750 CG LYS A 51 20.530 -37.084 -3.251 1.00 0.00 C ATOM 751 CD LYS A 51 20.046 -38.135 -2.266 1.00 0.00 C ATOM 752 CE LYS A 51 20.888 -39.400 -2.342 1.00 0.00 C ATOM 753 NZ LYS A 51 20.180 -40.495 -3.060 1.00 0.00 N ATOM 0 H LYS A 51 19.503 -35.263 -5.585 1.00 0.00 H new ATOM 0 HA LYS A 51 22.103 -36.606 -5.427 1.00 0.00 H new ATOM 0 HB2 LYS A 51 19.236 -37.482 -4.906 1.00 0.00 H new ATOM 0 HB3 LYS A 51 20.612 -38.561 -4.796 1.00 0.00 H new ATOM 0 HG2 LYS A 51 21.591 -36.895 -3.091 1.00 0.00 H new ATOM 0 HG3 LYS A 51 20.008 -36.145 -3.068 1.00 0.00 H new ATOM 0 HD2 LYS A 51 20.084 -37.732 -1.254 1.00 0.00 H new ATOM 0 HD3 LYS A 51 19.004 -38.377 -2.474 1.00 0.00 H new ATOM 0 HE2 LYS A 51 21.827 -39.181 -2.850 1.00 0.00 H new ATOM 0 HE3 LYS A 51 21.140 -39.730 -1.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 20.870 -41.067 -3.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 19.685 -41.098 -2.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 19.490 -40.087 -3.722 1.00 0.00 H new ATOM 767 N ARG A 52 20.085 -36.793 -7.934 1.00 0.00 N ATOM 768 CA ARG A 52 19.906 -37.323 -9.281 1.00 0.00 C ATOM 769 C ARG A 52 20.898 -36.687 -10.251 1.00 0.00 C ATOM 770 O ARG A 52 21.318 -37.314 -11.224 1.00 0.00 O ATOM 771 CB ARG A 52 18.475 -37.076 -9.763 1.00 0.00 C ATOM 772 CG ARG A 52 18.188 -37.652 -11.140 1.00 0.00 C ATOM 773 CD ARG A 52 16.694 -37.772 -11.393 1.00 0.00 C ATOM 774 NE ARG A 52 16.256 -39.164 -11.442 1.00 0.00 N ATOM 775 CZ ARG A 52 16.525 -39.984 -12.452 1.00 0.00 C ATOM 776 NH1 ARG A 52 17.226 -39.553 -13.492 1.00 0.00 N ATOM 777 NH2 ARG A 52 16.092 -41.238 -12.424 1.00 0.00 N ATOM 0 H ARG A 52 19.483 -36.001 -7.708 1.00 0.00 H new ATOM 0 HA ARG A 52 20.091 -38.397 -9.250 1.00 0.00 H new ATOM 0 HB2 ARG A 52 17.779 -37.509 -9.045 1.00 0.00 H new ATOM 0 HB3 ARG A 52 18.287 -36.002 -9.781 1.00 0.00 H new ATOM 0 HG2 ARG A 52 18.637 -37.016 -11.903 1.00 0.00 H new ATOM 0 HG3 ARG A 52 18.653 -38.634 -11.229 1.00 0.00 H new ATOM 0 HD2 ARG A 52 16.150 -37.249 -10.607 1.00 0.00 H new ATOM 0 HD3 ARG A 52 16.445 -37.281 -12.334 1.00 0.00 H new ATOM 0 HE ARG A 52 15.714 -39.527 -10.658 1.00 0.00 H new ATOM 0 HH11 ARG A 52 17.560 -38.590 -13.518 1.00 0.00 H new ATOM 0 HH12 ARG A 52 17.431 -40.185 -14.266 1.00 0.00 H new ATOM 0 HH21 ARG A 52 15.552 -41.573 -11.626 1.00 0.00 H new ATOM 0 HH22 ARG A 52 16.299 -41.867 -13.200 1.00 0.00 H new ATOM 791 N ILE A 53 21.267 -35.440 -9.979 1.00 0.00 N ATOM 792 CA ILE A 53 22.209 -34.721 -10.827 1.00 0.00 C ATOM 793 C ILE A 53 23.547 -35.448 -10.903 1.00 0.00 C ATOM 794 O ILE A 53 24.271 -35.336 -11.891 1.00 0.00 O ATOM 795 CB ILE A 53 22.445 -33.287 -10.317 1.00 0.00 C ATOM 796 CG1 ILE A 53 22.816 -33.306 -8.832 1.00 0.00 C ATOM 797 CG2 ILE A 53 21.209 -32.432 -10.549 1.00 0.00 C ATOM 798 CD1 ILE A 53 23.401 -32.001 -8.339 1.00 0.00 C ATOM 0 H ILE A 53 20.928 -34.907 -9.178 1.00 0.00 H new ATOM 0 HA ILE A 53 21.766 -34.676 -11.822 1.00 0.00 H new ATOM 0 HB ILE A 53 23.274 -32.850 -10.874 1.00 0.00 H new ATOM 0 HG12 ILE A 53 21.927 -33.540 -8.247 1.00 0.00 H new ATOM 0 HG13 ILE A 53 23.534 -34.107 -8.655 1.00 0.00 H new ATOM 0 HG21 ILE A 53 21.392 -31.422 -10.183 1.00 0.00 H new ATOM 0 HG22 ILE A 53 20.986 -32.397 -11.615 1.00 0.00 H new ATOM 0 HG23 ILE A 53 20.363 -32.864 -10.015 1.00 0.00 H new ATOM 0 HD11 ILE A 53 23.640 -32.087 -7.279 1.00 0.00 H new ATOM 0 HD12 ILE A 53 24.309 -31.775 -8.899 1.00 0.00 H new ATOM 0 HD13 ILE A 53 22.676 -31.200 -8.484 1.00 0.00 H new ATOM 810 N GLY A 54 23.868 -36.197 -9.852 1.00 0.00 N ATOM 811 CA GLY A 54 25.118 -36.934 -9.820 1.00 0.00 C ATOM 812 C GLY A 54 25.671 -37.076 -8.416 1.00 0.00 C ATOM 813 O GLY A 54 26.186 -38.132 -8.048 1.00 0.00 O ATOM 0 H GLY A 54 23.285 -36.306 -9.022 1.00 0.00 H new ATOM 0 HA2 GLY A 54 24.963 -37.924 -10.248 1.00 0.00 H new ATOM 0 HA3 GLY A 54 25.852 -36.427 -10.447 1.00 0.00 H new ATOM 817 N VAL A 55 25.566 -36.010 -7.629 1.00 0.00 N ATOM 818 CA VAL A 55 26.061 -36.021 -6.257 1.00 0.00 C ATOM 819 C VAL A 55 25.485 -37.195 -5.475 1.00 0.00 C ATOM 820 O VAL A 55 24.268 -37.339 -5.356 1.00 0.00 O ATOM 821 CB VAL A 55 25.713 -34.711 -5.525 1.00 0.00 C ATOM 822 CG1 VAL A 55 26.371 -34.674 -4.154 1.00 0.00 C ATOM 823 CG2 VAL A 55 26.131 -33.509 -6.359 1.00 0.00 C ATOM 0 H VAL A 55 25.143 -35.128 -7.918 1.00 0.00 H new ATOM 0 HA VAL A 55 27.145 -36.121 -6.312 1.00 0.00 H new ATOM 0 HB VAL A 55 24.633 -34.669 -5.384 1.00 0.00 H new ATOM 0 HG11 VAL A 55 26.114 -33.741 -3.652 1.00 0.00 H new ATOM 0 HG12 VAL A 55 26.018 -35.516 -3.558 1.00 0.00 H new ATOM 0 HG13 VAL A 55 27.453 -34.738 -4.268 1.00 0.00 H new ATOM 0 HG21 VAL A 55 25.878 -32.592 -5.827 1.00 0.00 H new ATOM 0 HG22 VAL A 55 27.207 -33.543 -6.533 1.00 0.00 H new ATOM 0 HG23 VAL A 55 25.608 -33.530 -7.315 1.00 0.00 H new ATOM 833 N ARG A 56 26.367 -38.034 -4.941 1.00 0.00 N ATOM 834 CA ARG A 56 25.947 -39.197 -4.170 1.00 0.00 C ATOM 835 C ARG A 56 26.464 -39.115 -2.737 1.00 0.00 C ATOM 836 O ARG A 56 26.010 -39.850 -1.858 1.00 0.00 O ATOM 837 CB ARG A 56 26.448 -40.482 -4.831 1.00 0.00 C ATOM 838 CG ARG A 56 27.936 -40.725 -4.642 1.00 0.00 C ATOM 839 CD ARG A 56 28.196 -41.892 -3.702 1.00 0.00 C ATOM 840 NE ARG A 56 28.911 -42.979 -4.365 1.00 0.00 N ATOM 841 CZ ARG A 56 28.320 -43.889 -5.131 1.00 0.00 C ATOM 842 NH1 ARG A 56 27.010 -43.842 -5.330 1.00 0.00 N ATOM 843 NH2 ARG A 56 29.039 -44.848 -5.699 1.00 0.00 N ATOM 0 H ARG A 56 27.378 -37.929 -5.029 1.00 0.00 H new ATOM 0 HA ARG A 56 24.857 -39.210 -4.145 1.00 0.00 H new ATOM 0 HB2 ARG A 56 25.896 -41.329 -4.424 1.00 0.00 H new ATOM 0 HB3 ARG A 56 26.228 -40.441 -5.898 1.00 0.00 H new ATOM 0 HG2 ARG A 56 28.399 -40.925 -5.608 1.00 0.00 H new ATOM 0 HG3 ARG A 56 28.405 -39.825 -4.244 1.00 0.00 H new ATOM 0 HD2 ARG A 56 28.775 -41.546 -2.846 1.00 0.00 H new ATOM 0 HD3 ARG A 56 27.247 -42.265 -3.315 1.00 0.00 H new ATOM 0 HE ARG A 56 29.920 -43.043 -4.233 1.00 0.00 H new ATOM 0 HH11 ARG A 56 26.454 -43.106 -4.894 1.00 0.00 H new ATOM 0 HH12 ARG A 56 26.558 -44.542 -5.919 1.00 0.00 H new ATOM 0 HH21 ARG A 56 30.047 -44.887 -5.548 1.00 0.00 H new ATOM 0 HH22 ARG A 56 28.584 -45.546 -6.287 1.00 0.00 H new ATOM 857 N LEU A 57 27.416 -38.217 -2.507 1.00 0.00 N ATOM 858 CA LEU A 57 27.996 -38.039 -1.181 1.00 0.00 C ATOM 859 C LEU A 57 27.093 -37.178 -0.303 1.00 0.00 C ATOM 860 O LEU A 57 26.300 -36.371 -0.789 1.00 0.00 O ATOM 861 CB LEU A 57 29.381 -37.399 -1.290 1.00 0.00 C ATOM 862 CG LEU A 57 30.505 -38.311 -1.783 1.00 0.00 C ATOM 863 CD1 LEU A 57 31.780 -37.513 -2.006 1.00 0.00 C ATOM 864 CD2 LEU A 57 30.747 -39.442 -0.794 1.00 0.00 C ATOM 0 H LEU A 57 27.802 -37.601 -3.222 1.00 0.00 H new ATOM 0 HA LEU A 57 28.092 -39.021 -0.719 1.00 0.00 H new ATOM 0 HB2 LEU A 57 29.312 -36.544 -1.963 1.00 0.00 H new ATOM 0 HB3 LEU A 57 29.658 -37.011 -0.310 1.00 0.00 H new ATOM 0 HG LEU A 57 30.202 -38.747 -2.735 1.00 0.00 H new ATOM 0 HD11 LEU A 57 32.569 -38.178 -2.357 1.00 0.00 H new ATOM 0 HD12 LEU A 57 31.599 -36.739 -2.752 1.00 0.00 H new ATOM 0 HD13 LEU A 57 32.087 -37.048 -1.069 1.00 0.00 H new ATOM 0 HD21 LEU A 57 31.550 -40.081 -1.161 1.00 0.00 H new ATOM 0 HD22 LEU A 57 31.028 -39.026 0.173 1.00 0.00 H new ATOM 0 HD23 LEU A 57 29.836 -40.031 -0.685 1.00 0.00 H new ATOM 876 N PRO A 58 27.215 -37.351 1.021 1.00 0.00 N ATOM 877 CA PRO A 58 26.420 -36.597 1.995 1.00 0.00 C ATOM 878 C PRO A 58 26.816 -35.125 2.051 1.00 0.00 C ATOM 879 O PRO A 58 25.964 -34.240 1.993 1.00 0.00 O ATOM 880 CB PRO A 58 26.738 -37.287 3.324 1.00 0.00 C ATOM 881 CG PRO A 58 28.081 -37.901 3.120 1.00 0.00 C ATOM 882 CD PRO A 58 28.140 -38.296 1.670 1.00 0.00 C ATOM 0 HA PRO A 58 25.360 -36.597 1.742 1.00 0.00 H new ATOM 0 HB2 PRO A 58 26.750 -36.573 4.148 1.00 0.00 H new ATOM 0 HB3 PRO A 58 25.990 -38.042 3.567 1.00 0.00 H new ATOM 0 HG2 PRO A 58 28.874 -37.195 3.365 1.00 0.00 H new ATOM 0 HG3 PRO A 58 28.216 -38.768 3.766 1.00 0.00 H new ATOM 0 HD2 PRO A 58 29.150 -38.208 1.270 1.00 0.00 H new ATOM 0 HD3 PRO A 58 27.828 -39.330 1.522 1.00 0.00 H new ATOM 890 N GLY A 59 28.117 -34.871 2.165 1.00 0.00 N ATOM 891 CA GLY A 59 28.603 -33.505 2.227 1.00 0.00 C ATOM 892 C GLY A 59 28.284 -32.719 0.971 1.00 0.00 C ATOM 893 O GLY A 59 27.675 -31.651 1.035 1.00 0.00 O ATOM 0 H GLY A 59 28.842 -35.587 2.215 1.00 0.00 H new ATOM 0 HA2 GLY A 59 28.160 -33.004 3.088 1.00 0.00 H new ATOM 0 HA3 GLY A 59 29.682 -33.513 2.383 1.00 0.00 H new ATOM 897 N HIS A 60 28.699 -33.247 -0.177 1.00 0.00 N ATOM 898 CA HIS A 60 28.455 -32.586 -1.454 1.00 0.00 C ATOM 899 C HIS A 60 26.980 -32.232 -1.610 1.00 0.00 C ATOM 900 O HIS A 60 26.633 -31.257 -2.276 1.00 0.00 O ATOM 901 CB HIS A 60 28.902 -33.483 -2.609 1.00 0.00 C ATOM 902 CG HIS A 60 30.377 -33.741 -2.632 1.00 0.00 C ATOM 903 ND1 HIS A 60 31.023 -34.319 -3.704 1.00 0.00 N ATOM 904 CD2 HIS A 60 31.333 -33.493 -1.707 1.00 0.00 C ATOM 905 CE1 HIS A 60 32.313 -34.418 -3.437 1.00 0.00 C ATOM 906 NE2 HIS A 60 32.528 -33.924 -2.231 1.00 0.00 N ATOM 0 H HIS A 60 29.205 -34.130 -0.249 1.00 0.00 H new ATOM 0 HA HIS A 60 29.035 -31.663 -1.475 1.00 0.00 H new ATOM 0 HB2 HIS A 60 28.376 -34.435 -2.543 1.00 0.00 H new ATOM 0 HB3 HIS A 60 28.608 -33.021 -3.551 1.00 0.00 H new ATOM 0 HD2 HIS A 60 31.185 -33.041 -0.738 1.00 0.00 H new ATOM 0 HE1 HIS A 60 33.064 -34.832 -4.093 1.00 0.00 H new ATOM 0 HE2 HIS A 60 33.434 -33.871 -1.765 1.00 0.00 H new ATOM 914 N GLN A 61 26.116 -33.032 -0.993 1.00 0.00 N ATOM 915 CA GLN A 61 24.678 -32.803 -1.065 1.00 0.00 C ATOM 916 C GLN A 61 24.281 -31.573 -0.255 1.00 0.00 C ATOM 917 O GLN A 61 23.725 -30.615 -0.794 1.00 0.00 O ATOM 918 CB GLN A 61 23.918 -34.029 -0.556 1.00 0.00 C ATOM 919 CG GLN A 61 23.652 -35.070 -1.632 1.00 0.00 C ATOM 920 CD GLN A 61 22.966 -36.308 -1.089 1.00 0.00 C ATOM 921 OE1 GLN A 61 22.054 -36.217 -0.267 1.00 0.00 O ATOM 922 NE2 GLN A 61 23.403 -37.476 -1.547 1.00 0.00 N ATOM 0 H GLN A 61 26.387 -33.844 -0.438 1.00 0.00 H new ATOM 0 HA GLN A 61 24.416 -32.629 -2.109 1.00 0.00 H new ATOM 0 HB2 GLN A 61 24.488 -34.490 0.251 1.00 0.00 H new ATOM 0 HB3 GLN A 61 22.967 -33.706 -0.131 1.00 0.00 H new ATOM 0 HG2 GLN A 61 23.033 -34.629 -2.413 1.00 0.00 H new ATOM 0 HG3 GLN A 61 24.596 -35.356 -2.096 1.00 0.00 H new ATOM 0 HE21 GLN A 61 24.162 -37.505 -2.228 1.00 0.00 H new ATOM 0 HE22 GLN A 61 22.980 -38.344 -1.218 1.00 0.00 H new ATOM 931 N LYS A 62 24.570 -31.605 1.041 1.00 0.00 N ATOM 932 CA LYS A 62 24.244 -30.493 1.926 1.00 0.00 C ATOM 933 C LYS A 62 24.877 -29.198 1.428 1.00 0.00 C ATOM 934 O LYS A 62 24.259 -28.135 1.477 1.00 0.00 O ATOM 935 CB LYS A 62 24.720 -30.791 3.350 1.00 0.00 C ATOM 936 CG LYS A 62 24.204 -32.109 3.900 1.00 0.00 C ATOM 937 CD LYS A 62 24.109 -32.081 5.416 1.00 0.00 C ATOM 938 CE LYS A 62 22.897 -31.290 5.884 1.00 0.00 C ATOM 939 NZ LYS A 62 22.350 -31.818 7.164 1.00 0.00 N ATOM 0 H LYS A 62 25.030 -32.390 1.503 1.00 0.00 H new ATOM 0 HA LYS A 62 23.161 -30.370 1.930 1.00 0.00 H new ATOM 0 HB2 LYS A 62 25.810 -30.802 3.365 1.00 0.00 H new ATOM 0 HB3 LYS A 62 24.401 -29.982 4.008 1.00 0.00 H new ATOM 0 HG2 LYS A 62 23.222 -32.322 3.477 1.00 0.00 H new ATOM 0 HG3 LYS A 62 24.866 -32.918 3.591 1.00 0.00 H new ATOM 0 HD2 LYS A 62 24.049 -33.101 5.797 1.00 0.00 H new ATOM 0 HD3 LYS A 62 25.015 -31.639 5.830 1.00 0.00 H new ATOM 0 HE2 LYS A 62 23.174 -30.243 6.012 1.00 0.00 H new ATOM 0 HE3 LYS A 62 22.123 -31.324 5.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 21.525 -31.252 7.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 22.062 -32.809 7.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 23.080 -31.762 7.903 1.00 0.00 H new ATOM 953 N ARG A 63 26.113 -29.295 0.947 1.00 0.00 N ATOM 954 CA ARG A 63 26.829 -28.131 0.440 1.00 0.00 C ATOM 955 C ARG A 63 25.989 -27.383 -0.591 1.00 0.00 C ATOM 956 O ARG A 63 25.988 -26.152 -0.630 1.00 0.00 O ATOM 957 CB ARG A 63 28.160 -28.556 -0.183 1.00 0.00 C ATOM 958 CG ARG A 63 29.087 -27.392 -0.493 1.00 0.00 C ATOM 959 CD ARG A 63 30.544 -27.767 -0.277 1.00 0.00 C ATOM 960 NE ARG A 63 31.241 -26.795 0.562 1.00 0.00 N ATOM 961 CZ ARG A 63 32.561 -26.761 0.706 1.00 0.00 C ATOM 962 NH1 ARG A 63 33.323 -27.638 0.069 1.00 0.00 N ATOM 963 NH2 ARG A 63 33.120 -25.846 1.487 1.00 0.00 N ATOM 0 H ARG A 63 26.639 -30.168 0.898 1.00 0.00 H new ATOM 0 HA ARG A 63 27.025 -27.463 1.278 1.00 0.00 H new ATOM 0 HB2 ARG A 63 28.667 -29.242 0.496 1.00 0.00 H new ATOM 0 HB3 ARG A 63 27.962 -29.106 -1.103 1.00 0.00 H new ATOM 0 HG2 ARG A 63 28.941 -27.075 -1.525 1.00 0.00 H new ATOM 0 HG3 ARG A 63 28.831 -26.543 0.141 1.00 0.00 H new ATOM 0 HD2 ARG A 63 30.600 -28.752 0.186 1.00 0.00 H new ATOM 0 HD3 ARG A 63 31.046 -27.840 -1.242 1.00 0.00 H new ATOM 0 HE ARG A 63 30.683 -26.105 1.065 1.00 0.00 H new ATOM 0 HH11 ARG A 63 32.896 -28.341 -0.534 1.00 0.00 H new ATOM 0 HH12 ARG A 63 34.336 -27.610 0.181 1.00 0.00 H new ATOM 0 HH21 ARG A 63 32.536 -25.168 1.977 1.00 0.00 H new ATOM 0 HH22 ARG A 63 34.134 -25.820 1.597 1.00 0.00 H new ATOM 977 N ILE A 64 25.277 -28.135 -1.424 1.00 0.00 N ATOM 978 CA ILE A 64 24.433 -27.543 -2.455 1.00 0.00 C ATOM 979 C ILE A 64 23.069 -27.157 -1.893 1.00 0.00 C ATOM 980 O ILE A 64 22.585 -26.048 -2.117 1.00 0.00 O ATOM 981 CB ILE A 64 24.234 -28.505 -3.641 1.00 0.00 C ATOM 982 CG1 ILE A 64 25.586 -28.885 -4.249 1.00 0.00 C ATOM 983 CG2 ILE A 64 23.334 -27.871 -4.691 1.00 0.00 C ATOM 984 CD1 ILE A 64 25.475 -29.843 -5.415 1.00 0.00 C ATOM 0 H ILE A 64 25.268 -29.155 -1.405 1.00 0.00 H new ATOM 0 HA ILE A 64 24.945 -26.648 -2.807 1.00 0.00 H new ATOM 0 HB ILE A 64 23.752 -29.413 -3.278 1.00 0.00 H new ATOM 0 HG12 ILE A 64 26.094 -27.979 -4.580 1.00 0.00 H new ATOM 0 HG13 ILE A 64 26.209 -29.336 -3.477 1.00 0.00 H new ATOM 0 HG21 ILE A 64 23.203 -28.563 -5.523 1.00 0.00 H new ATOM 0 HG22 ILE A 64 22.363 -27.645 -4.250 1.00 0.00 H new ATOM 0 HG23 ILE A 64 23.791 -26.950 -5.053 1.00 0.00 H new ATOM 0 HD11 ILE A 64 26.471 -30.069 -5.796 1.00 0.00 H new ATOM 0 HD12 ILE A 64 24.995 -30.764 -5.085 1.00 0.00 H new ATOM 0 HD13 ILE A 64 24.879 -29.387 -6.205 1.00 0.00 H new ATOM 996 N ALA A 65 22.454 -28.080 -1.161 1.00 0.00 N ATOM 997 CA ALA A 65 21.147 -27.835 -0.564 1.00 0.00 C ATOM 998 C ALA A 65 21.145 -26.540 0.240 1.00 0.00 C ATOM 999 O ALA A 65 20.256 -25.702 0.084 1.00 0.00 O ATOM 1000 CB ALA A 65 20.742 -29.007 0.319 1.00 0.00 C ATOM 0 H ALA A 65 22.840 -29.004 -0.967 1.00 0.00 H new ATOM 0 HA ALA A 65 20.420 -27.733 -1.370 1.00 0.00 H new ATOM 0 HB1 ALA A 65 19.764 -28.811 0.758 1.00 0.00 H new ATOM 0 HB2 ALA A 65 20.694 -29.915 -0.281 1.00 0.00 H new ATOM 0 HB3 ALA A 65 21.477 -29.135 1.113 1.00 0.00 H new ATOM 1006 N TYR A 66 22.144 -26.382 1.102 1.00 0.00 N ATOM 1007 CA TYR A 66 22.255 -25.189 1.933 1.00 0.00 C ATOM 1008 C TYR A 66 22.289 -23.928 1.075 1.00 0.00 C ATOM 1009 O TYR A 66 21.843 -22.862 1.499 1.00 0.00 O ATOM 1010 CB TYR A 66 23.511 -25.263 2.802 1.00 0.00 C ATOM 1011 CG TYR A 66 23.526 -24.258 3.932 1.00 0.00 C ATOM 1012 CD1 TYR A 66 22.404 -24.063 4.728 1.00 0.00 C ATOM 1013 CD2 TYR A 66 24.661 -23.504 4.203 1.00 0.00 C ATOM 1014 CE1 TYR A 66 22.412 -23.146 5.761 1.00 0.00 C ATOM 1015 CE2 TYR A 66 24.678 -22.586 5.235 1.00 0.00 C ATOM 1016 CZ TYR A 66 23.552 -22.410 6.011 1.00 0.00 C ATOM 1017 OH TYR A 66 23.565 -21.495 7.039 1.00 0.00 O ATOM 0 H TYR A 66 22.888 -27.065 1.243 1.00 0.00 H new ATOM 0 HA TYR A 66 21.377 -25.143 2.578 1.00 0.00 H new ATOM 0 HB2 TYR A 66 23.596 -26.267 3.219 1.00 0.00 H new ATOM 0 HB3 TYR A 66 24.387 -25.104 2.174 1.00 0.00 H new ATOM 0 HD1 TYR A 66 21.510 -24.638 4.536 1.00 0.00 H new ATOM 0 HD2 TYR A 66 25.545 -23.638 3.597 1.00 0.00 H new ATOM 0 HE1 TYR A 66 21.531 -23.006 6.370 1.00 0.00 H new ATOM 0 HE2 TYR A 66 25.569 -22.009 5.433 1.00 0.00 H new ATOM 0 HH TYR A 66 24.443 -21.063 7.081 1.00 0.00 H new ATOM 1027 N SER A 67 22.822 -24.059 -0.136 1.00 0.00 N ATOM 1028 CA SER A 67 22.919 -22.930 -1.054 1.00 0.00 C ATOM 1029 C SER A 67 21.575 -22.657 -1.723 1.00 0.00 C ATOM 1030 O SER A 67 21.235 -21.510 -2.016 1.00 0.00 O ATOM 1031 CB SER A 67 23.984 -23.201 -2.118 1.00 0.00 C ATOM 1032 OG SER A 67 24.921 -22.139 -2.184 1.00 0.00 O ATOM 0 H SER A 67 23.193 -24.935 -0.504 1.00 0.00 H new ATOM 0 HA SER A 67 23.205 -22.049 -0.479 1.00 0.00 H new ATOM 0 HB2 SER A 67 24.501 -24.133 -1.890 1.00 0.00 H new ATOM 0 HB3 SER A 67 23.507 -23.330 -3.090 1.00 0.00 H new ATOM 0 HG SER A 67 25.386 -22.166 -3.046 1.00 0.00 H new ATOM 1038 N LEU A 68 20.813 -23.719 -1.961 1.00 0.00 N ATOM 1039 CA LEU A 68 19.505 -23.596 -2.596 1.00 0.00 C ATOM 1040 C LEU A 68 18.587 -22.693 -1.779 1.00 0.00 C ATOM 1041 O LEU A 68 17.742 -21.986 -2.331 1.00 0.00 O ATOM 1042 CB LEU A 68 18.866 -24.976 -2.763 1.00 0.00 C ATOM 1043 CG LEU A 68 19.439 -25.851 -3.878 1.00 0.00 C ATOM 1044 CD1 LEU A 68 18.723 -27.191 -3.926 1.00 0.00 C ATOM 1045 CD2 LEU A 68 19.334 -25.140 -5.220 1.00 0.00 C ATOM 0 H LEU A 68 21.078 -24.675 -1.724 1.00 0.00 H new ATOM 0 HA LEU A 68 19.646 -23.146 -3.579 1.00 0.00 H new ATOM 0 HB2 LEU A 68 18.962 -25.515 -1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 68 17.800 -24.841 -2.946 1.00 0.00 H new ATOM 0 HG LEU A 68 20.493 -26.033 -3.666 1.00 0.00 H new ATOM 0 HD11 LEU A 68 19.144 -27.800 -4.726 1.00 0.00 H new ATOM 0 HD12 LEU A 68 18.849 -27.705 -2.973 1.00 0.00 H new ATOM 0 HD13 LEU A 68 17.661 -27.030 -4.114 1.00 0.00 H new ATOM 0 HD21 LEU A 68 19.746 -25.777 -6.002 1.00 0.00 H new ATOM 0 HD22 LEU A 68 18.287 -24.928 -5.439 1.00 0.00 H new ATOM 0 HD23 LEU A 68 19.893 -24.205 -5.181 1.00 0.00 H new ATOM 1057 N LEU A 69 18.758 -22.720 -0.462 1.00 0.00 N ATOM 1058 CA LEU A 69 17.946 -21.901 0.432 1.00 0.00 C ATOM 1059 C LEU A 69 18.043 -20.426 0.058 1.00 0.00 C ATOM 1060 O LEU A 69 17.031 -19.763 -0.162 1.00 0.00 O ATOM 1061 CB LEU A 69 18.390 -22.102 1.883 1.00 0.00 C ATOM 1062 CG LEU A 69 18.570 -23.551 2.335 1.00 0.00 C ATOM 1063 CD1 LEU A 69 18.915 -23.609 3.815 1.00 0.00 C ATOM 1064 CD2 LEU A 69 17.314 -24.360 2.046 1.00 0.00 C ATOM 0 H LEU A 69 19.451 -23.300 0.011 1.00 0.00 H new ATOM 0 HA LEU A 69 16.907 -22.215 0.329 1.00 0.00 H new ATOM 0 HB2 LEU A 69 19.334 -21.577 2.029 1.00 0.00 H new ATOM 0 HB3 LEU A 69 17.657 -21.627 2.535 1.00 0.00 H new ATOM 0 HG LEU A 69 19.396 -23.987 1.773 1.00 0.00 H new ATOM 0 HD11 LEU A 69 19.039 -24.648 4.119 1.00 0.00 H new ATOM 0 HD12 LEU A 69 19.842 -23.065 3.994 1.00 0.00 H new ATOM 0 HD13 LEU A 69 18.111 -23.155 4.394 1.00 0.00 H new ATOM 0 HD21 LEU A 69 17.460 -25.389 2.374 1.00 0.00 H new ATOM 0 HD22 LEU A 69 16.470 -23.925 2.581 1.00 0.00 H new ATOM 0 HD23 LEU A 69 17.111 -24.346 0.975 1.00 0.00 H new ATOM 1076 N GLY A 70 19.270 -19.918 -0.014 1.00 0.00 N ATOM 1077 CA GLY A 70 19.477 -18.525 -0.363 1.00 0.00 C ATOM 1078 C GLY A 70 18.902 -18.176 -1.722 1.00 0.00 C ATOM 1079 O GLY A 70 18.448 -17.053 -1.943 1.00 0.00 O ATOM 0 H GLY A 70 20.124 -20.447 0.163 1.00 0.00 H new ATOM 0 HA2 GLY A 70 19.018 -17.891 0.396 1.00 0.00 H new ATOM 0 HA3 GLY A 70 20.545 -18.307 -0.357 1.00 0.00 H new ATOM 1083 N LEU A 71 18.922 -19.140 -2.636 1.00 0.00 N ATOM 1084 CA LEU A 71 18.400 -18.930 -3.982 1.00 0.00 C ATOM 1085 C LEU A 71 16.897 -18.672 -3.949 1.00 0.00 C ATOM 1086 O LEU A 71 16.429 -17.613 -4.367 1.00 0.00 O ATOM 1087 CB LEU A 71 18.702 -20.144 -4.862 1.00 0.00 C ATOM 1088 CG LEU A 71 20.181 -20.482 -5.056 1.00 0.00 C ATOM 1089 CD1 LEU A 71 20.341 -21.629 -6.041 1.00 0.00 C ATOM 1090 CD2 LEU A 71 20.950 -19.258 -5.529 1.00 0.00 C ATOM 0 H LEU A 71 19.294 -20.075 -2.469 1.00 0.00 H new ATOM 0 HA LEU A 71 18.891 -18.053 -4.403 1.00 0.00 H new ATOM 0 HB2 LEU A 71 18.205 -21.013 -4.430 1.00 0.00 H new ATOM 0 HB3 LEU A 71 18.257 -19.976 -5.843 1.00 0.00 H new ATOM 0 HG LEU A 71 20.592 -20.795 -4.096 1.00 0.00 H new ATOM 0 HD11 LEU A 71 21.400 -21.856 -6.167 1.00 0.00 H new ATOM 0 HD12 LEU A 71 19.824 -22.510 -5.661 1.00 0.00 H new ATOM 0 HD13 LEU A 71 19.914 -21.345 -7.003 1.00 0.00 H new ATOM 0 HD21 LEU A 71 22.000 -19.517 -5.662 1.00 0.00 H new ATOM 0 HD22 LEU A 71 20.538 -18.914 -6.478 1.00 0.00 H new ATOM 0 HD23 LEU A 71 20.863 -18.464 -4.787 1.00 0.00 H new ATOM 1102 N LYS A 72 16.146 -19.646 -3.446 1.00 0.00 N ATOM 1103 CA LYS A 72 14.696 -19.525 -3.355 1.00 0.00 C ATOM 1104 C LYS A 72 14.303 -18.274 -2.575 1.00 0.00 C ATOM 1105 O LYS A 72 13.219 -17.724 -2.771 1.00 0.00 O ATOM 1106 CB LYS A 72 14.101 -20.765 -2.684 1.00 0.00 C ATOM 1107 CG LYS A 72 14.442 -22.063 -3.394 1.00 0.00 C ATOM 1108 CD LYS A 72 14.161 -23.270 -2.515 1.00 0.00 C ATOM 1109 CE LYS A 72 15.309 -24.267 -2.552 1.00 0.00 C ATOM 1110 NZ LYS A 72 14.822 -25.674 -2.563 1.00 0.00 N ATOM 0 H LYS A 72 16.518 -20.528 -3.095 1.00 0.00 H new ATOM 0 HA LYS A 72 14.299 -19.441 -4.367 1.00 0.00 H new ATOM 0 HB2 LYS A 72 14.459 -20.818 -1.656 1.00 0.00 H new ATOM 0 HB3 LYS A 72 13.017 -20.659 -2.639 1.00 0.00 H new ATOM 0 HG2 LYS A 72 13.862 -22.139 -4.314 1.00 0.00 H new ATOM 0 HG3 LYS A 72 15.494 -22.057 -3.680 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.995 -22.943 -1.489 1.00 0.00 H new ATOM 0 HD3 LYS A 72 13.244 -23.757 -2.847 1.00 0.00 H new ATOM 0 HE2 LYS A 72 15.918 -24.087 -3.438 1.00 0.00 H new ATOM 0 HE3 LYS A 72 15.952 -24.112 -1.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 15.635 -26.322 -2.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.262 -25.854 -1.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.229 -25.829 -3.403 1.00 0.00 H new