USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=15 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 -133:sc= -2.68 (180deg=0) USER MOD Set 1.2: A 27 TYR OH : rot 80:sc= 1.04 USER MOD Set 1.3: A 60 HIS : no HE2:sc= -2.43 K(o=-4.1,f=-13!) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0242 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -83:sc= 1.04 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.16 K(o=-0.16,f=-2.3!) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.768 USER MOD Single : A 30 HIS : no HD1:sc= -0.234 X(o=-0.23,f=-0.58) USER MOD Single : A 32 MET CE :methyl -158:sc= -0.0652 (180deg=-0.851) USER MOD Single : A 36 TYR OH : rot -78:sc= 0.191 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 170:sc= -0.961 (180deg=-0.969) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 45 MET CE :methyl 169:sc= -1.75 (180deg=-2.44) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0667 USER MOD Single : A 47 ASN : amide:sc= -0.499 K(o=-0.5,f=-4!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -1.73 X(o=-1.7,f=-1.7) 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 -150:sc=-0.00842 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 138 N ARG A 13 24.546 -14.887 -11.692 1.00 0.00 N ATOM 139 CA ARG A 13 23.845 -14.893 -12.971 1.00 0.00 C ATOM 140 C ARG A 13 23.966 -16.254 -13.650 1.00 0.00 C ATOM 141 O ARG A 13 23.111 -16.640 -14.448 1.00 0.00 O ATOM 142 CB ARG A 13 24.403 -13.803 -13.888 1.00 0.00 C ATOM 143 CG ARG A 13 25.894 -13.933 -14.152 1.00 0.00 C ATOM 144 CD ARG A 13 26.654 -12.706 -13.675 1.00 0.00 C ATOM 145 NE ARG A 13 28.013 -12.661 -14.209 1.00 0.00 N ATOM 146 CZ ARG A 13 28.308 -12.240 -15.433 1.00 0.00 C ATOM 147 NH1 ARG A 13 27.345 -11.828 -16.246 1.00 0.00 N ATOM 148 NH2 ARG A 13 29.568 -12.229 -15.847 1.00 0.00 N ATOM 0 HA ARG A 13 22.791 -14.693 -12.780 1.00 0.00 H new ATOM 0 HB2 ARG A 13 23.871 -13.832 -14.839 1.00 0.00 H new ATOM 0 HB3 ARG A 13 24.205 -12.828 -13.442 1.00 0.00 H new ATOM 0 HG2 ARG A 13 26.278 -14.819 -13.647 1.00 0.00 H new ATOM 0 HG3 ARG A 13 26.064 -14.076 -15.219 1.00 0.00 H new ATOM 0 HD2 ARG A 13 26.116 -11.807 -13.976 1.00 0.00 H new ATOM 0 HD3 ARG A 13 26.692 -12.704 -12.586 1.00 0.00 H new ATOM 0 HE ARG A 13 28.777 -12.970 -13.608 1.00 0.00 H new ATOM 0 HH11 ARG A 13 26.375 -11.834 -15.931 1.00 0.00 H new ATOM 0 HH12 ARG A 13 27.574 -11.505 -17.186 1.00 0.00 H new ATOM 0 HH21 ARG A 13 30.312 -12.544 -15.225 1.00 0.00 H new ATOM 0 HH22 ARG A 13 29.793 -11.905 -16.788 1.00 0.00 H new ATOM 162 N THR A 14 25.033 -16.978 -13.328 1.00 0.00 N ATOM 163 CA THR A 14 25.267 -18.295 -13.908 1.00 0.00 C ATOM 164 C THR A 14 25.407 -19.356 -12.823 1.00 0.00 C ATOM 165 O THR A 14 25.744 -19.049 -11.679 1.00 0.00 O ATOM 166 CB THR A 14 26.532 -18.305 -14.786 1.00 0.00 C ATOM 167 OG1 THR A 14 27.696 -18.130 -13.971 1.00 0.00 O ATOM 168 CG2 THR A 14 26.471 -17.206 -15.836 1.00 0.00 C ATOM 0 H THR A 14 25.749 -16.675 -12.668 1.00 0.00 H new ATOM 0 HA THR A 14 24.401 -18.526 -14.529 1.00 0.00 H new ATOM 0 HB THR A 14 26.587 -19.268 -15.294 1.00 0.00 H new ATOM 0 HG1 THR A 14 28.496 -18.139 -14.537 1.00 0.00 H new ATOM 0 HG21 THR A 14 27.375 -17.233 -16.444 1.00 0.00 H new ATOM 0 HG22 THR A 14 25.600 -17.360 -16.474 1.00 0.00 H new ATOM 0 HG23 THR A 14 26.393 -16.237 -15.344 1.00 0.00 H new ATOM 176 N VAL A 15 25.146 -20.607 -13.188 1.00 0.00 N ATOM 177 CA VAL A 15 25.245 -21.715 -12.246 1.00 0.00 C ATOM 178 C VAL A 15 26.693 -21.966 -11.842 1.00 0.00 C ATOM 179 O VAL A 15 26.966 -22.504 -10.769 1.00 0.00 O ATOM 180 CB VAL A 15 24.657 -23.010 -12.838 1.00 0.00 C ATOM 181 CG1 VAL A 15 24.781 -24.156 -11.845 1.00 0.00 C ATOM 182 CG2 VAL A 15 23.205 -22.799 -13.242 1.00 0.00 C ATOM 0 H VAL A 15 24.864 -20.878 -14.130 1.00 0.00 H new ATOM 0 HA VAL A 15 24.669 -21.433 -11.365 1.00 0.00 H new ATOM 0 HB VAL A 15 25.225 -23.272 -13.731 1.00 0.00 H new ATOM 0 HG11 VAL A 15 24.360 -25.062 -12.281 1.00 0.00 H new ATOM 0 HG12 VAL A 15 25.832 -24.321 -11.609 1.00 0.00 H new ATOM 0 HG13 VAL A 15 24.239 -23.907 -10.933 1.00 0.00 H new ATOM 0 HG21 VAL A 15 22.805 -23.724 -13.658 1.00 0.00 H new ATOM 0 HG22 VAL A 15 22.622 -22.513 -12.367 1.00 0.00 H new ATOM 0 HG23 VAL A 15 23.147 -22.009 -13.991 1.00 0.00 H new ATOM 192 N SER A 16 27.620 -21.573 -12.710 1.00 0.00 N ATOM 193 CA SER A 16 29.042 -21.758 -12.446 1.00 0.00 C ATOM 194 C SER A 16 29.494 -20.893 -11.273 1.00 0.00 C ATOM 195 O SER A 16 30.099 -21.387 -10.322 1.00 0.00 O ATOM 196 CB SER A 16 29.863 -21.417 -13.692 1.00 0.00 C ATOM 197 OG SER A 16 31.249 -21.583 -13.451 1.00 0.00 O ATOM 0 H SER A 16 27.412 -21.124 -13.602 1.00 0.00 H new ATOM 0 HA SER A 16 29.205 -22.804 -12.188 1.00 0.00 H new ATOM 0 HB2 SER A 16 29.556 -22.056 -14.520 1.00 0.00 H new ATOM 0 HB3 SER A 16 29.664 -20.388 -13.992 1.00 0.00 H new ATOM 0 HG SER A 16 31.751 -21.360 -14.263 1.00 0.00 H new ATOM 203 N GLU A 17 29.196 -19.600 -11.350 1.00 0.00 N ATOM 204 CA GLU A 17 29.572 -18.666 -10.295 1.00 0.00 C ATOM 205 C GLU A 17 28.945 -19.068 -8.963 1.00 0.00 C ATOM 206 O GLU A 17 29.484 -18.771 -7.897 1.00 0.00 O ATOM 207 CB GLU A 17 29.144 -17.245 -10.665 1.00 0.00 C ATOM 208 CG GLU A 17 29.662 -16.785 -12.018 1.00 0.00 C ATOM 209 CD GLU A 17 30.766 -15.753 -11.900 1.00 0.00 C ATOM 210 OE1 GLU A 17 30.500 -14.660 -11.357 1.00 0.00 O ATOM 211 OE2 GLU A 17 31.896 -16.038 -12.349 1.00 0.00 O ATOM 0 H GLU A 17 28.696 -19.176 -12.131 1.00 0.00 H new ATOM 0 HA GLU A 17 30.656 -18.695 -10.189 1.00 0.00 H new ATOM 0 HB2 GLU A 17 28.055 -17.191 -10.665 1.00 0.00 H new ATOM 0 HB3 GLU A 17 29.497 -16.557 -9.897 1.00 0.00 H new ATOM 0 HG2 GLU A 17 30.033 -17.647 -12.573 1.00 0.00 H new ATOM 0 HG3 GLU A 17 28.838 -16.365 -12.595 1.00 0.00 H new ATOM 218 N TRP A 18 27.804 -19.743 -9.034 1.00 0.00 N ATOM 219 CA TRP A 18 27.102 -20.185 -7.834 1.00 0.00 C ATOM 220 C TRP A 18 27.764 -21.425 -7.242 1.00 0.00 C ATOM 221 O TRP A 18 28.159 -21.432 -6.075 1.00 0.00 O ATOM 222 CB TRP A 18 25.636 -20.480 -8.155 1.00 0.00 C ATOM 223 CG TRP A 18 24.899 -21.130 -7.024 1.00 0.00 C ATOM 224 CD1 TRP A 18 24.652 -20.595 -5.792 1.00 0.00 C ATOM 225 CD2 TRP A 18 24.316 -22.437 -7.020 1.00 0.00 C ATOM 226 NE1 TRP A 18 23.950 -21.491 -5.022 1.00 0.00 N ATOM 227 CE2 TRP A 18 23.730 -22.629 -5.753 1.00 0.00 C ATOM 228 CE3 TRP A 18 24.228 -23.464 -7.964 1.00 0.00 C ATOM 229 CZ2 TRP A 18 23.070 -23.805 -5.408 1.00 0.00 C ATOM 230 CZ3 TRP A 18 23.573 -24.631 -7.620 1.00 0.00 C ATOM 231 CH2 TRP A 18 23.000 -24.794 -6.352 1.00 0.00 C ATOM 0 H TRP A 18 27.345 -19.996 -9.909 1.00 0.00 H new ATOM 0 HA TRP A 18 27.151 -19.382 -7.098 1.00 0.00 H new ATOM 0 HB2 TRP A 18 25.135 -19.549 -8.418 1.00 0.00 H new ATOM 0 HB3 TRP A 18 25.586 -21.127 -9.031 1.00 0.00 H new ATOM 0 HD1 TRP A 18 24.963 -19.612 -5.470 1.00 0.00 H new ATOM 0 HE1 TRP A 18 23.643 -21.334 -4.062 1.00 0.00 H new ATOM 0 HE3 TRP A 18 24.664 -23.347 -8.945 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 22.629 -23.933 -4.430 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 23.502 -25.432 -8.341 1.00 0.00 H new ATOM 0 HH2 TRP A 18 22.493 -25.718 -6.115 1.00 0.00 H new ATOM 242 N LEU A 19 27.883 -22.471 -8.052 1.00 0.00 N ATOM 243 CA LEU A 19 28.499 -23.716 -7.607 1.00 0.00 C ATOM 244 C LEU A 19 29.950 -23.490 -7.195 1.00 0.00 C ATOM 245 O LEU A 19 30.370 -23.906 -6.116 1.00 0.00 O ATOM 246 CB LEU A 19 28.430 -24.767 -8.717 1.00 0.00 C ATOM 247 CG LEU A 19 27.131 -25.569 -8.803 1.00 0.00 C ATOM 248 CD1 LEU A 19 27.016 -26.256 -10.155 1.00 0.00 C ATOM 249 CD2 LEU A 19 27.059 -26.589 -7.676 1.00 0.00 C ATOM 0 H LEU A 19 27.561 -22.482 -9.020 1.00 0.00 H new ATOM 0 HA LEU A 19 27.946 -24.076 -6.739 1.00 0.00 H new ATOM 0 HB2 LEU A 19 28.589 -24.268 -9.673 1.00 0.00 H new ATOM 0 HB3 LEU A 19 29.256 -25.465 -8.581 1.00 0.00 H new ATOM 0 HG LEU A 19 26.293 -24.880 -8.697 1.00 0.00 H new ATOM 0 HD11 LEU A 19 26.085 -26.822 -10.198 1.00 0.00 H new ATOM 0 HD12 LEU A 19 27.021 -25.506 -10.946 1.00 0.00 H new ATOM 0 HD13 LEU A 19 27.859 -26.933 -10.292 1.00 0.00 H new ATOM 0 HD21 LEU A 19 26.128 -27.151 -7.753 1.00 0.00 H new ATOM 0 HD22 LEU A 19 27.903 -27.274 -7.751 1.00 0.00 H new ATOM 0 HD23 LEU A 19 27.094 -26.074 -6.716 1.00 0.00 H new ATOM 261 N GLU A 20 30.709 -22.826 -8.061 1.00 0.00 N ATOM 262 CA GLU A 20 32.113 -22.543 -7.785 1.00 0.00 C ATOM 263 C GLU A 20 32.276 -21.879 -6.421 1.00 0.00 C ATOM 264 O GLU A 20 33.293 -22.055 -5.751 1.00 0.00 O ATOM 265 CB GLU A 20 32.699 -21.645 -8.876 1.00 0.00 C ATOM 266 CG GLU A 20 32.247 -20.197 -8.780 1.00 0.00 C ATOM 267 CD GLU A 20 33.114 -19.376 -7.847 1.00 0.00 C ATOM 268 OE1 GLU A 20 34.355 -19.458 -7.962 1.00 0.00 O ATOM 269 OE2 GLU A 20 32.552 -18.650 -7.000 1.00 0.00 O ATOM 0 H GLU A 20 30.376 -22.474 -8.959 1.00 0.00 H new ATOM 0 HA GLU A 20 32.653 -23.490 -7.775 1.00 0.00 H new ATOM 0 HB2 GLU A 20 33.787 -21.682 -8.820 1.00 0.00 H new ATOM 0 HB3 GLU A 20 32.417 -22.041 -9.851 1.00 0.00 H new ATOM 0 HG2 GLU A 20 32.263 -19.749 -9.773 1.00 0.00 H new ATOM 0 HG3 GLU A 20 31.214 -20.165 -8.433 1.00 0.00 H new ATOM 276 N SER A 21 31.267 -21.114 -6.017 1.00 0.00 N ATOM 277 CA SER A 21 31.300 -20.419 -4.736 1.00 0.00 C ATOM 278 C SER A 21 31.322 -21.413 -3.579 1.00 0.00 C ATOM 279 O SER A 21 31.964 -21.176 -2.555 1.00 0.00 O ATOM 280 CB SER A 21 30.089 -19.492 -4.603 1.00 0.00 C ATOM 281 OG SER A 21 29.051 -20.112 -3.865 1.00 0.00 O ATOM 0 H SER A 21 30.416 -20.960 -6.559 1.00 0.00 H new ATOM 0 HA SER A 21 32.212 -19.823 -4.698 1.00 0.00 H new ATOM 0 HB2 SER A 21 30.388 -18.567 -4.110 1.00 0.00 H new ATOM 0 HB3 SER A 21 29.724 -19.221 -5.594 1.00 0.00 H new ATOM 0 HG SER A 21 28.528 -20.690 -4.459 1.00 0.00 H new ATOM 287 N ILE A 22 30.618 -22.527 -3.751 1.00 0.00 N ATOM 288 CA ILE A 22 30.558 -23.558 -2.722 1.00 0.00 C ATOM 289 C ILE A 22 31.477 -24.727 -3.061 1.00 0.00 C ATOM 290 O ILE A 22 31.263 -25.851 -2.608 1.00 0.00 O ATOM 291 CB ILE A 22 29.123 -24.085 -2.537 1.00 0.00 C ATOM 292 CG1 ILE A 22 28.585 -24.638 -3.858 1.00 0.00 C ATOM 293 CG2 ILE A 22 28.218 -22.982 -2.010 1.00 0.00 C ATOM 294 CD1 ILE A 22 27.210 -25.257 -3.738 1.00 0.00 C ATOM 0 H ILE A 22 30.082 -22.739 -4.592 1.00 0.00 H new ATOM 0 HA ILE A 22 30.890 -23.096 -1.792 1.00 0.00 H new ATOM 0 HB ILE A 22 29.140 -24.894 -1.807 1.00 0.00 H new ATOM 0 HG12 ILE A 22 28.549 -23.833 -4.592 1.00 0.00 H new ATOM 0 HG13 ILE A 22 29.280 -25.387 -4.239 1.00 0.00 H new ATOM 0 HG21 ILE A 22 27.207 -23.370 -1.884 1.00 0.00 H new ATOM 0 HG22 ILE A 22 28.594 -22.631 -1.049 1.00 0.00 H new ATOM 0 HG23 ILE A 22 28.203 -22.154 -2.718 1.00 0.00 H new ATOM 0 HD11 ILE A 22 26.892 -25.628 -4.712 1.00 0.00 H new ATOM 0 HD12 ILE A 22 27.244 -26.084 -3.028 1.00 0.00 H new ATOM 0 HD13 ILE A 22 26.502 -24.506 -3.387 1.00 0.00 H new ATOM 306 N LYS A 23 32.502 -24.453 -3.861 1.00 0.00 N ATOM 307 CA LYS A 23 33.458 -25.480 -4.259 1.00 0.00 C ATOM 308 C LYS A 23 32.741 -26.690 -4.851 1.00 0.00 C ATOM 309 O LYS A 23 33.072 -27.833 -4.539 1.00 0.00 O ATOM 310 CB LYS A 23 34.304 -25.912 -3.059 1.00 0.00 C ATOM 311 CG LYS A 23 35.063 -24.770 -2.408 1.00 0.00 C ATOM 312 CD LYS A 23 36.482 -24.668 -2.941 1.00 0.00 C ATOM 313 CE LYS A 23 37.505 -25.027 -1.874 1.00 0.00 C ATOM 314 NZ LYS A 23 38.863 -24.517 -2.213 1.00 0.00 N ATOM 0 H LYS A 23 32.692 -23.528 -4.247 1.00 0.00 H new ATOM 0 HA LYS A 23 34.111 -25.057 -5.022 1.00 0.00 H new ATOM 0 HB2 LYS A 23 33.655 -26.376 -2.316 1.00 0.00 H new ATOM 0 HB3 LYS A 23 35.015 -26.673 -3.381 1.00 0.00 H new ATOM 0 HG2 LYS A 23 34.537 -23.833 -2.589 1.00 0.00 H new ATOM 0 HG3 LYS A 23 35.089 -24.918 -1.328 1.00 0.00 H new ATOM 0 HD2 LYS A 23 36.599 -25.333 -3.797 1.00 0.00 H new ATOM 0 HD3 LYS A 23 36.666 -23.654 -3.297 1.00 0.00 H new ATOM 0 HE2 LYS A 23 37.191 -24.613 -0.916 1.00 0.00 H new ATOM 0 HE3 LYS A 23 37.543 -26.110 -1.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 39.531 -24.782 -1.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 39.174 -24.931 -3.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 38.833 -23.481 -2.300 1.00 0.00 H new ATOM 328 N MET A 24 31.759 -26.429 -5.707 1.00 0.00 N ATOM 329 CA MET A 24 30.998 -27.497 -6.345 1.00 0.00 C ATOM 330 C MET A 24 30.846 -27.239 -7.841 1.00 0.00 C ATOM 331 O MET A 24 29.893 -27.704 -8.466 1.00 0.00 O ATOM 332 CB MET A 24 29.619 -27.628 -5.695 1.00 0.00 C ATOM 333 CG MET A 24 29.674 -27.964 -4.214 1.00 0.00 C ATOM 334 SD MET A 24 29.387 -29.714 -3.888 1.00 0.00 S ATOM 335 CE MET A 24 31.021 -30.235 -3.371 1.00 0.00 C ATOM 0 H MET A 24 31.471 -25.488 -5.975 1.00 0.00 H new ATOM 0 HA MET A 24 31.546 -28.430 -6.210 1.00 0.00 H new ATOM 0 HB2 MET A 24 29.074 -26.693 -5.827 1.00 0.00 H new ATOM 0 HB3 MET A 24 29.054 -28.402 -6.214 1.00 0.00 H new ATOM 0 HG2 MET A 24 30.648 -27.679 -3.817 1.00 0.00 H new ATOM 0 HG3 MET A 24 28.928 -27.372 -3.683 1.00 0.00 H new ATOM 0 HE1 MET A 24 31.290 -31.155 -3.889 1.00 0.00 H new ATOM 0 HE2 MET A 24 31.745 -29.457 -3.614 1.00 0.00 H new ATOM 0 HE3 MET A 24 31.024 -30.410 -2.295 1.00 0.00 H new ATOM 345 N GLN A 25 31.790 -26.494 -8.407 1.00 0.00 N ATOM 346 CA GLN A 25 31.758 -26.173 -9.829 1.00 0.00 C ATOM 347 C GLN A 25 31.885 -27.436 -10.674 1.00 0.00 C ATOM 348 O GLN A 25 31.316 -27.525 -11.762 1.00 0.00 O ATOM 349 CB GLN A 25 32.883 -25.197 -10.178 1.00 0.00 C ATOM 350 CG GLN A 25 34.259 -25.672 -9.742 1.00 0.00 C ATOM 351 CD GLN A 25 35.361 -24.706 -10.130 1.00 0.00 C ATOM 352 OE1 GLN A 25 35.989 -24.851 -11.178 1.00 0.00 O ATOM 353 NE2 GLN A 25 35.601 -23.711 -9.283 1.00 0.00 N ATOM 0 H GLN A 25 32.586 -26.102 -7.903 1.00 0.00 H new ATOM 0 HA GLN A 25 30.799 -25.705 -10.049 1.00 0.00 H new ATOM 0 HB2 GLN A 25 32.889 -25.033 -11.256 1.00 0.00 H new ATOM 0 HB3 GLN A 25 32.675 -24.234 -9.711 1.00 0.00 H new ATOM 0 HG2 GLN A 25 34.266 -25.809 -8.661 1.00 0.00 H new ATOM 0 HG3 GLN A 25 34.461 -26.646 -10.188 1.00 0.00 H new ATOM 0 HE21 GLN A 25 35.056 -23.629 -8.425 1.00 0.00 H new ATOM 0 HE22 GLN A 25 36.331 -23.029 -9.491 1.00 0.00 H new ATOM 362 N GLN A 26 32.636 -28.409 -10.167 1.00 0.00 N ATOM 363 CA GLN A 26 32.838 -29.667 -10.877 1.00 0.00 C ATOM 364 C GLN A 26 31.505 -30.354 -11.157 1.00 0.00 C ATOM 365 O GLN A 26 31.383 -31.129 -12.106 1.00 0.00 O ATOM 366 CB GLN A 26 33.743 -30.595 -10.066 1.00 0.00 C ATOM 367 CG GLN A 26 33.080 -31.154 -8.818 1.00 0.00 C ATOM 368 CD GLN A 26 34.079 -31.511 -7.736 1.00 0.00 C ATOM 369 OE1 GLN A 26 35.243 -31.113 -7.794 1.00 0.00 O ATOM 370 NE2 GLN A 26 33.630 -32.266 -6.740 1.00 0.00 N ATOM 0 H GLN A 26 33.114 -28.350 -9.268 1.00 0.00 H new ATOM 0 HA GLN A 26 33.318 -29.444 -11.830 1.00 0.00 H new ATOM 0 HB2 GLN A 26 34.062 -31.423 -10.700 1.00 0.00 H new ATOM 0 HB3 GLN A 26 34.642 -30.050 -9.777 1.00 0.00 H new ATOM 0 HG2 GLN A 26 32.374 -30.421 -8.427 1.00 0.00 H new ATOM 0 HG3 GLN A 26 32.505 -32.041 -9.083 1.00 0.00 H new ATOM 0 HE21 GLN A 26 32.658 -32.574 -6.732 1.00 0.00 H new ATOM 0 HE22 GLN A 26 34.258 -32.538 -5.983 1.00 0.00 H new ATOM 379 N TYR A 27 30.510 -30.064 -10.326 1.00 0.00 N ATOM 380 CA TYR A 27 29.187 -30.657 -10.483 1.00 0.00 C ATOM 381 C TYR A 27 28.366 -29.892 -11.516 1.00 0.00 C ATOM 382 O TYR A 27 27.338 -30.374 -11.992 1.00 0.00 O ATOM 383 CB TYR A 27 28.451 -30.674 -9.142 1.00 0.00 C ATOM 384 CG TYR A 27 28.851 -31.824 -8.246 1.00 0.00 C ATOM 385 CD1 TYR A 27 28.858 -33.130 -8.720 1.00 0.00 C ATOM 386 CD2 TYR A 27 29.221 -31.606 -6.925 1.00 0.00 C ATOM 387 CE1 TYR A 27 29.222 -34.184 -7.905 1.00 0.00 C ATOM 388 CE2 TYR A 27 29.588 -32.654 -6.103 1.00 0.00 C ATOM 389 CZ TYR A 27 29.587 -33.941 -6.598 1.00 0.00 C ATOM 390 OH TYR A 27 29.950 -34.988 -5.782 1.00 0.00 O ATOM 0 H TYR A 27 30.594 -29.423 -9.537 1.00 0.00 H new ATOM 0 HA TYR A 27 29.315 -31.681 -10.833 1.00 0.00 H new ATOM 0 HB2 TYR A 27 28.641 -29.736 -8.621 1.00 0.00 H new ATOM 0 HB3 TYR A 27 27.378 -30.725 -9.327 1.00 0.00 H new ATOM 0 HD1 TYR A 27 28.574 -33.324 -9.744 1.00 0.00 H new ATOM 0 HD2 TYR A 27 29.222 -30.599 -6.534 1.00 0.00 H new ATOM 0 HE1 TYR A 27 29.221 -35.193 -8.290 1.00 0.00 H new ATOM 0 HE2 TYR A 27 29.874 -32.466 -5.079 1.00 0.00 H new ATOM 0 HH TYR A 27 30.878 -35.243 -5.970 1.00 0.00 H new ATOM 400 N THR A 28 28.829 -28.695 -11.862 1.00 0.00 N ATOM 401 CA THR A 28 28.140 -27.861 -12.839 1.00 0.00 C ATOM 402 C THR A 28 27.857 -28.636 -14.120 1.00 0.00 C ATOM 403 O THR A 28 26.759 -28.562 -14.671 1.00 0.00 O ATOM 404 CB THR A 28 28.960 -26.604 -13.183 1.00 0.00 C ATOM 405 OG1 THR A 28 29.219 -25.847 -11.995 1.00 0.00 O ATOM 406 CG2 THR A 28 28.223 -25.736 -14.192 1.00 0.00 C ATOM 0 H THR A 28 29.679 -28.281 -11.480 1.00 0.00 H new ATOM 0 HA THR A 28 27.197 -27.557 -12.386 1.00 0.00 H new ATOM 0 HB THR A 28 29.905 -26.923 -13.623 1.00 0.00 H new ATOM 0 HG1 THR A 28 29.742 -25.050 -12.222 1.00 0.00 H new ATOM 0 HG21 THR A 28 28.822 -24.854 -14.419 1.00 0.00 H new ATOM 0 HG22 THR A 28 28.053 -26.305 -15.106 1.00 0.00 H new ATOM 0 HG23 THR A 28 27.265 -25.426 -13.774 1.00 0.00 H new ATOM 414 N GLU A 29 28.854 -29.379 -14.590 1.00 0.00 N ATOM 415 CA GLU A 29 28.711 -30.168 -15.808 1.00 0.00 C ATOM 416 C GLU A 29 27.516 -31.112 -15.707 1.00 0.00 C ATOM 417 O GLU A 29 26.899 -31.461 -16.714 1.00 0.00 O ATOM 418 CB GLU A 29 29.987 -30.969 -16.077 1.00 0.00 C ATOM 419 CG GLU A 29 31.234 -30.108 -16.186 1.00 0.00 C ATOM 420 CD GLU A 29 32.454 -30.769 -15.574 1.00 0.00 C ATOM 421 OE1 GLU A 29 32.662 -30.613 -14.353 1.00 0.00 O ATOM 422 OE2 GLU A 29 33.200 -31.440 -16.316 1.00 0.00 O ATOM 0 H GLU A 29 29.769 -29.451 -14.146 1.00 0.00 H new ATOM 0 HA GLU A 29 28.541 -29.481 -16.637 1.00 0.00 H new ATOM 0 HB2 GLU A 29 30.126 -31.695 -15.276 1.00 0.00 H new ATOM 0 HB3 GLU A 29 29.864 -31.534 -17.001 1.00 0.00 H new ATOM 0 HG2 GLU A 29 31.431 -29.891 -17.236 1.00 0.00 H new ATOM 0 HG3 GLU A 29 31.056 -29.153 -15.691 1.00 0.00 H new ATOM 429 N HIS A 30 27.196 -31.523 -14.484 1.00 0.00 N ATOM 430 CA HIS A 30 26.075 -32.427 -14.250 1.00 0.00 C ATOM 431 C HIS A 30 24.760 -31.657 -14.185 1.00 0.00 C ATOM 432 O HIS A 30 23.762 -32.060 -14.782 1.00 0.00 O ATOM 433 CB HIS A 30 26.286 -33.210 -12.954 1.00 0.00 C ATOM 434 CG HIS A 30 27.394 -34.215 -13.034 1.00 0.00 C ATOM 435 ND1 HIS A 30 28.672 -33.895 -13.441 1.00 0.00 N ATOM 436 CD2 HIS A 30 27.410 -35.539 -12.755 1.00 0.00 C ATOM 437 CE1 HIS A 30 29.426 -34.979 -13.411 1.00 0.00 C ATOM 438 NE2 HIS A 30 28.684 -35.991 -12.998 1.00 0.00 N ATOM 0 H HIS A 30 27.697 -31.245 -13.640 1.00 0.00 H new ATOM 0 HA HIS A 30 26.024 -33.127 -15.084 1.00 0.00 H new ATOM 0 HB2 HIS A 30 26.500 -32.509 -12.147 1.00 0.00 H new ATOM 0 HB3 HIS A 30 25.360 -33.723 -12.694 1.00 0.00 H new ATOM 0 HD2 HIS A 30 26.576 -36.130 -12.406 1.00 0.00 H new ATOM 0 HE1 HIS A 30 30.471 -35.029 -13.679 1.00 0.00 H new ATOM 0 HE2 HIS A 30 29.005 -36.952 -12.879 1.00 0.00 H new ATOM 446 N PHE A 31 24.766 -30.546 -13.454 1.00 0.00 N ATOM 447 CA PHE A 31 23.573 -29.720 -13.310 1.00 0.00 C ATOM 448 C PHE A 31 22.981 -29.375 -14.673 1.00 0.00 C ATOM 449 O PHE A 31 21.775 -29.496 -14.887 1.00 0.00 O ATOM 450 CB PHE A 31 23.905 -28.437 -12.546 1.00 0.00 C ATOM 451 CG PHE A 31 23.763 -28.572 -11.057 1.00 0.00 C ATOM 452 CD1 PHE A 31 24.832 -28.989 -10.280 1.00 0.00 C ATOM 453 CD2 PHE A 31 22.560 -28.282 -10.433 1.00 0.00 C ATOM 454 CE1 PHE A 31 24.705 -29.113 -8.910 1.00 0.00 C ATOM 455 CE2 PHE A 31 22.427 -28.404 -9.063 1.00 0.00 C ATOM 456 CZ PHE A 31 23.500 -28.822 -8.300 1.00 0.00 C ATOM 0 H PHE A 31 25.583 -30.198 -12.953 1.00 0.00 H new ATOM 0 HA PHE A 31 22.834 -30.289 -12.747 1.00 0.00 H new ATOM 0 HB2 PHE A 31 24.927 -28.139 -12.780 1.00 0.00 H new ATOM 0 HB3 PHE A 31 23.252 -27.637 -12.894 1.00 0.00 H new ATOM 0 HD1 PHE A 31 25.776 -29.220 -10.751 1.00 0.00 H new ATOM 0 HD2 PHE A 31 21.717 -27.957 -11.024 1.00 0.00 H new ATOM 0 HE1 PHE A 31 25.547 -29.437 -8.316 1.00 0.00 H new ATOM 0 HE2 PHE A 31 21.485 -28.173 -8.589 1.00 0.00 H new ATOM 0 HZ PHE A 31 23.397 -28.921 -7.229 1.00 0.00 H new ATOM 466 N MET A 32 23.840 -28.945 -15.592 1.00 0.00 N ATOM 467 CA MET A 32 23.402 -28.583 -16.935 1.00 0.00 C ATOM 468 C MET A 32 22.719 -29.762 -17.621 1.00 0.00 C ATOM 469 O MET A 32 21.595 -29.643 -18.107 1.00 0.00 O ATOM 470 CB MET A 32 24.593 -28.111 -17.772 1.00 0.00 C ATOM 471 CG MET A 32 25.389 -26.993 -17.120 1.00 0.00 C ATOM 472 SD MET A 32 25.385 -25.477 -18.097 1.00 0.00 S ATOM 473 CE MET A 32 25.513 -24.242 -16.805 1.00 0.00 C ATOM 0 H MET A 32 24.842 -28.839 -15.431 1.00 0.00 H new ATOM 0 HA MET A 32 22.682 -27.769 -16.849 1.00 0.00 H new ATOM 0 HB2 MET A 32 25.255 -28.957 -17.957 1.00 0.00 H new ATOM 0 HB3 MET A 32 24.232 -27.771 -18.743 1.00 0.00 H new ATOM 0 HG2 MET A 32 24.976 -26.786 -16.133 1.00 0.00 H new ATOM 0 HG3 MET A 32 26.417 -27.323 -16.972 1.00 0.00 H new ATOM 0 HE1 MET A 32 25.140 -23.287 -17.176 1.00 0.00 H new ATOM 0 HE2 MET A 32 24.921 -24.553 -15.944 1.00 0.00 H new ATOM 0 HE3 MET A 32 26.556 -24.133 -16.508 1.00 0.00 H new ATOM 483 N ALA A 33 23.406 -30.900 -17.656 1.00 0.00 N ATOM 484 CA ALA A 33 22.864 -32.100 -18.281 1.00 0.00 C ATOM 485 C ALA A 33 21.503 -32.457 -17.695 1.00 0.00 C ATOM 486 O ALA A 33 20.651 -33.022 -18.379 1.00 0.00 O ATOM 487 CB ALA A 33 23.833 -33.262 -18.118 1.00 0.00 C ATOM 0 H ALA A 33 24.338 -31.015 -17.259 1.00 0.00 H new ATOM 0 HA ALA A 33 22.730 -31.898 -19.344 1.00 0.00 H new ATOM 0 HB1 ALA A 33 23.416 -34.152 -18.589 1.00 0.00 H new ATOM 0 HB2 ALA A 33 24.783 -33.012 -18.590 1.00 0.00 H new ATOM 0 HB3 ALA A 33 23.995 -33.455 -17.057 1.00 0.00 H new ATOM 493 N ALA A 34 21.306 -32.125 -16.423 1.00 0.00 N ATOM 494 CA ALA A 34 20.047 -32.410 -15.745 1.00 0.00 C ATOM 495 C ALA A 34 18.973 -31.399 -16.134 1.00 0.00 C ATOM 496 O ALA A 34 17.780 -31.689 -16.065 1.00 0.00 O ATOM 497 CB ALA A 34 20.249 -32.415 -14.237 1.00 0.00 C ATOM 0 H ALA A 34 22.002 -31.658 -15.841 1.00 0.00 H new ATOM 0 HA ALA A 34 19.709 -33.398 -16.058 1.00 0.00 H new ATOM 0 HB1 ALA A 34 19.301 -32.629 -13.744 1.00 0.00 H new ATOM 0 HB2 ALA A 34 20.978 -33.180 -13.970 1.00 0.00 H new ATOM 0 HB3 ALA A 34 20.613 -31.439 -13.915 1.00 0.00 H new ATOM 503 N GLY A 35 19.406 -30.209 -16.541 1.00 0.00 N ATOM 504 CA GLY A 35 18.469 -29.173 -16.933 1.00 0.00 C ATOM 505 C GLY A 35 18.458 -28.005 -15.966 1.00 0.00 C ATOM 506 O GLY A 35 17.413 -27.400 -15.725 1.00 0.00 O ATOM 0 H GLY A 35 20.389 -29.945 -16.606 1.00 0.00 H new ATOM 0 HA2 GLY A 35 18.726 -28.813 -17.929 1.00 0.00 H new ATOM 0 HA3 GLY A 35 17.467 -29.598 -16.996 1.00 0.00 H new ATOM 510 N TYR A 36 19.622 -27.688 -15.411 1.00 0.00 N ATOM 511 CA TYR A 36 19.742 -26.588 -14.462 1.00 0.00 C ATOM 512 C TYR A 36 20.826 -25.607 -14.899 1.00 0.00 C ATOM 513 O TYR A 36 21.748 -25.304 -14.141 1.00 0.00 O ATOM 514 CB TYR A 36 20.056 -27.124 -13.064 1.00 0.00 C ATOM 515 CG TYR A 36 19.081 -28.176 -12.586 1.00 0.00 C ATOM 516 CD1 TYR A 36 17.710 -27.983 -12.695 1.00 0.00 C ATOM 517 CD2 TYR A 36 19.532 -29.365 -12.026 1.00 0.00 C ATOM 518 CE1 TYR A 36 16.816 -28.941 -12.259 1.00 0.00 C ATOM 519 CE2 TYR A 36 18.646 -30.330 -11.589 1.00 0.00 C ATOM 520 CZ TYR A 36 17.289 -30.113 -11.707 1.00 0.00 C ATOM 521 OH TYR A 36 16.402 -31.072 -11.272 1.00 0.00 O ATOM 0 H TYR A 36 20.496 -28.177 -15.602 1.00 0.00 H new ATOM 0 HA TYR A 36 18.789 -26.060 -14.435 1.00 0.00 H new ATOM 0 HB2 TYR A 36 21.061 -27.545 -13.063 1.00 0.00 H new ATOM 0 HB3 TYR A 36 20.057 -26.294 -12.358 1.00 0.00 H new ATOM 0 HD1 TYR A 36 17.336 -27.067 -13.129 1.00 0.00 H new ATOM 0 HD2 TYR A 36 20.594 -29.537 -11.931 1.00 0.00 H new ATOM 0 HE1 TYR A 36 15.753 -28.773 -12.350 1.00 0.00 H new ATOM 0 HE2 TYR A 36 19.014 -31.249 -11.157 1.00 0.00 H new ATOM 0 HH TYR A 36 16.031 -30.805 -10.405 1.00 0.00 H new ATOM 531 N THR A 37 20.708 -25.113 -16.127 1.00 0.00 N ATOM 532 CA THR A 37 21.677 -24.168 -16.667 1.00 0.00 C ATOM 533 C THR A 37 21.438 -22.764 -16.122 1.00 0.00 C ATOM 534 O THR A 37 22.354 -21.944 -16.069 1.00 0.00 O ATOM 535 CB THR A 37 21.623 -24.125 -18.206 1.00 0.00 C ATOM 536 OG1 THR A 37 20.426 -23.468 -18.636 1.00 0.00 O ATOM 537 CG2 THR A 37 21.675 -25.529 -18.788 1.00 0.00 C ATOM 0 H THR A 37 19.950 -25.352 -16.767 1.00 0.00 H new ATOM 0 HA THR A 37 22.663 -24.513 -16.355 1.00 0.00 H new ATOM 0 HB THR A 37 22.490 -23.569 -18.563 1.00 0.00 H new ATOM 0 HG1 THR A 37 20.400 -23.443 -19.615 1.00 0.00 H new ATOM 0 HG21 THR A 37 21.636 -25.474 -19.876 1.00 0.00 H new ATOM 0 HG22 THR A 37 22.602 -26.015 -18.483 1.00 0.00 H new ATOM 0 HG23 THR A 37 20.825 -26.106 -18.423 1.00 0.00 H new ATOM 545 N ALA A 38 20.201 -22.495 -15.717 1.00 0.00 N ATOM 546 CA ALA A 38 19.842 -21.191 -15.174 1.00 0.00 C ATOM 547 C ALA A 38 19.438 -21.299 -13.708 1.00 0.00 C ATOM 548 O ALA A 38 18.849 -22.296 -13.289 1.00 0.00 O ATOM 549 CB ALA A 38 18.717 -20.570 -15.989 1.00 0.00 C ATOM 0 H ALA A 38 19.431 -23.163 -15.755 1.00 0.00 H new ATOM 0 HA ALA A 38 20.719 -20.546 -15.236 1.00 0.00 H new ATOM 0 HB1 ALA A 38 18.460 -19.597 -15.571 1.00 0.00 H new ATOM 0 HB2 ALA A 38 19.041 -20.447 -17.022 1.00 0.00 H new ATOM 0 HB3 ALA A 38 17.843 -21.221 -15.958 1.00 0.00 H new ATOM 555 N ILE A 39 19.758 -20.269 -12.932 1.00 0.00 N ATOM 556 CA ILE A 39 19.428 -20.250 -11.513 1.00 0.00 C ATOM 557 C ILE A 39 17.919 -20.306 -11.299 1.00 0.00 C ATOM 558 O ILE A 39 17.446 -20.781 -10.268 1.00 0.00 O ATOM 559 CB ILE A 39 19.987 -18.992 -10.821 1.00 0.00 C ATOM 560 CG1 ILE A 39 21.494 -18.879 -11.060 1.00 0.00 C ATOM 561 CG2 ILE A 39 19.682 -19.028 -9.331 1.00 0.00 C ATOM 562 CD1 ILE A 39 22.280 -20.056 -10.527 1.00 0.00 C ATOM 0 H ILE A 39 20.246 -19.436 -13.263 1.00 0.00 H new ATOM 0 HA ILE A 39 19.889 -21.133 -11.070 1.00 0.00 H new ATOM 0 HB ILE A 39 19.504 -18.114 -11.250 1.00 0.00 H new ATOM 0 HG12 ILE A 39 21.678 -18.784 -12.130 1.00 0.00 H new ATOM 0 HG13 ILE A 39 21.861 -17.966 -10.592 1.00 0.00 H new ATOM 0 HG21 ILE A 39 20.083 -18.133 -8.856 1.00 0.00 H new ATOM 0 HG22 ILE A 39 18.603 -19.066 -9.181 1.00 0.00 H new ATOM 0 HG23 ILE A 39 20.141 -19.911 -8.887 1.00 0.00 H new ATOM 0 HD11 ILE A 39 23.340 -19.908 -10.732 1.00 0.00 H new ATOM 0 HD12 ILE A 39 22.126 -20.139 -9.451 1.00 0.00 H new ATOM 0 HD13 ILE A 39 21.941 -20.970 -11.014 1.00 0.00 H new ATOM 574 N GLU A 40 17.169 -19.818 -12.283 1.00 0.00 N ATOM 575 CA GLU A 40 15.713 -19.814 -12.202 1.00 0.00 C ATOM 576 C GLU A 40 15.174 -21.231 -12.025 1.00 0.00 C ATOM 577 O GLU A 40 14.134 -21.438 -11.399 1.00 0.00 O ATOM 578 CB GLU A 40 15.112 -19.181 -13.459 1.00 0.00 C ATOM 579 CG GLU A 40 15.763 -17.864 -13.848 1.00 0.00 C ATOM 580 CD GLU A 40 14.831 -16.962 -14.632 1.00 0.00 C ATOM 581 OE1 GLU A 40 13.655 -16.833 -14.231 1.00 0.00 O ATOM 582 OE2 GLU A 40 15.276 -16.385 -15.646 1.00 0.00 O ATOM 0 H GLU A 40 17.545 -19.421 -13.144 1.00 0.00 H new ATOM 0 HA GLU A 40 15.424 -19.223 -11.333 1.00 0.00 H new ATOM 0 HB2 GLU A 40 15.205 -19.882 -14.289 1.00 0.00 H new ATOM 0 HB3 GLU A 40 14.046 -19.017 -13.299 1.00 0.00 H new ATOM 0 HG2 GLU A 40 16.092 -17.346 -12.947 1.00 0.00 H new ATOM 0 HG3 GLU A 40 16.654 -18.065 -14.443 1.00 0.00 H new ATOM 589 N LYS A 41 15.888 -22.203 -12.582 1.00 0.00 N ATOM 590 CA LYS A 41 15.484 -23.600 -12.487 1.00 0.00 C ATOM 591 C LYS A 41 16.213 -24.301 -11.346 1.00 0.00 C ATOM 592 O LYS A 41 15.660 -25.186 -10.693 1.00 0.00 O ATOM 593 CB LYS A 41 15.763 -24.324 -13.806 1.00 0.00 C ATOM 594 CG LYS A 41 15.092 -23.681 -15.007 1.00 0.00 C ATOM 595 CD LYS A 41 16.111 -23.245 -16.047 1.00 0.00 C ATOM 596 CE LYS A 41 15.487 -22.328 -17.088 1.00 0.00 C ATOM 597 NZ LYS A 41 15.045 -21.035 -16.495 1.00 0.00 N ATOM 0 H LYS A 41 16.750 -22.048 -13.104 1.00 0.00 H new ATOM 0 HA LYS A 41 14.414 -23.629 -12.283 1.00 0.00 H new ATOM 0 HB2 LYS A 41 16.840 -24.353 -13.974 1.00 0.00 H new ATOM 0 HB3 LYS A 41 15.426 -25.357 -13.722 1.00 0.00 H new ATOM 0 HG2 LYS A 41 14.392 -24.386 -15.455 1.00 0.00 H new ATOM 0 HG3 LYS A 41 14.511 -22.818 -14.682 1.00 0.00 H new ATOM 0 HD2 LYS A 41 16.937 -22.731 -15.556 1.00 0.00 H new ATOM 0 HD3 LYS A 41 16.530 -24.123 -16.538 1.00 0.00 H new ATOM 0 HE2 LYS A 41 16.209 -22.136 -17.882 1.00 0.00 H new ATOM 0 HE3 LYS A 41 14.634 -22.827 -17.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.783 -20.376 -17.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.222 -21.198 -15.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 15.820 -20.627 -15.935 1.00 0.00 H new ATOM 611 N VAL A 42 17.458 -23.899 -11.110 1.00 0.00 N ATOM 612 CA VAL A 42 18.263 -24.487 -10.045 1.00 0.00 C ATOM 613 C VAL A 42 17.565 -24.362 -8.696 1.00 0.00 C ATOM 614 O VAL A 42 17.822 -25.140 -7.777 1.00 0.00 O ATOM 615 CB VAL A 42 19.649 -23.822 -9.957 1.00 0.00 C ATOM 616 CG1 VAL A 42 20.455 -24.417 -8.813 1.00 0.00 C ATOM 617 CG2 VAL A 42 20.394 -23.967 -11.276 1.00 0.00 C ATOM 0 H VAL A 42 17.931 -23.169 -11.642 1.00 0.00 H new ATOM 0 HA VAL A 42 18.389 -25.542 -10.289 1.00 0.00 H new ATOM 0 HB VAL A 42 19.511 -22.759 -9.758 1.00 0.00 H new ATOM 0 HG11 VAL A 42 21.431 -23.935 -8.766 1.00 0.00 H new ATOM 0 HG12 VAL A 42 19.926 -24.257 -7.873 1.00 0.00 H new ATOM 0 HG13 VAL A 42 20.586 -25.486 -8.978 1.00 0.00 H new ATOM 0 HG21 VAL A 42 21.371 -23.491 -11.196 1.00 0.00 H new ATOM 0 HG22 VAL A 42 20.523 -25.024 -11.507 1.00 0.00 H new ATOM 0 HG23 VAL A 42 19.822 -23.489 -12.071 1.00 0.00 H new ATOM 627 N VAL A 43 16.679 -23.377 -8.583 1.00 0.00 N ATOM 628 CA VAL A 43 15.941 -23.150 -7.346 1.00 0.00 C ATOM 629 C VAL A 43 14.708 -24.043 -7.270 1.00 0.00 C ATOM 630 O VAL A 43 14.211 -24.339 -6.183 1.00 0.00 O ATOM 631 CB VAL A 43 15.505 -21.679 -7.214 1.00 0.00 C ATOM 632 CG1 VAL A 43 16.709 -20.754 -7.310 1.00 0.00 C ATOM 633 CG2 VAL A 43 14.471 -21.333 -8.275 1.00 0.00 C ATOM 0 H VAL A 43 16.455 -22.723 -9.333 1.00 0.00 H new ATOM 0 HA VAL A 43 16.615 -23.396 -6.526 1.00 0.00 H new ATOM 0 HB VAL A 43 15.048 -21.540 -6.234 1.00 0.00 H new ATOM 0 HG11 VAL A 43 16.381 -19.719 -7.215 1.00 0.00 H new ATOM 0 HG12 VAL A 43 17.412 -20.987 -6.510 1.00 0.00 H new ATOM 0 HG13 VAL A 43 17.198 -20.892 -8.274 1.00 0.00 H new ATOM 0 HG21 VAL A 43 14.174 -20.290 -8.167 1.00 0.00 H new ATOM 0 HG22 VAL A 43 14.900 -21.488 -9.265 1.00 0.00 H new ATOM 0 HG23 VAL A 43 13.597 -21.973 -8.154 1.00 0.00 H new ATOM 643 N GLN A 44 14.220 -24.469 -8.430 1.00 0.00 N ATOM 644 CA GLN A 44 13.044 -25.328 -8.494 1.00 0.00 C ATOM 645 C GLN A 44 13.382 -26.748 -8.050 1.00 0.00 C ATOM 646 O GLN A 44 12.592 -27.400 -7.369 1.00 0.00 O ATOM 647 CB GLN A 44 12.477 -25.347 -9.915 1.00 0.00 C ATOM 648 CG GLN A 44 11.932 -24.003 -10.370 1.00 0.00 C ATOM 649 CD GLN A 44 10.831 -24.139 -11.404 1.00 0.00 C ATOM 650 OE1 GLN A 44 9.792 -24.746 -11.144 1.00 0.00 O ATOM 651 NE2 GLN A 44 11.054 -23.574 -12.585 1.00 0.00 N ATOM 0 H GLN A 44 14.621 -24.233 -9.338 1.00 0.00 H new ATOM 0 HA GLN A 44 12.293 -24.924 -7.816 1.00 0.00 H new ATOM 0 HB2 GLN A 44 13.259 -25.665 -10.605 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.681 -26.090 -9.970 1.00 0.00 H new ATOM 0 HG2 GLN A 44 11.549 -23.459 -9.506 1.00 0.00 H new ATOM 0 HG3 GLN A 44 12.745 -23.408 -10.786 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.930 -23.080 -12.757 1.00 0.00 H new ATOM 0 HE22 GLN A 44 10.349 -23.634 -13.320 1.00 0.00 H new ATOM 660 N MET A 45 14.561 -27.219 -8.441 1.00 0.00 N ATOM 661 CA MET A 45 15.004 -28.562 -8.082 1.00 0.00 C ATOM 662 C MET A 45 15.004 -28.747 -6.568 1.00 0.00 C ATOM 663 O MET A 45 15.293 -27.815 -5.817 1.00 0.00 O ATOM 664 CB MET A 45 16.404 -28.826 -8.640 1.00 0.00 C ATOM 665 CG MET A 45 17.493 -28.013 -7.960 1.00 0.00 C ATOM 666 SD MET A 45 18.693 -29.045 -7.096 1.00 0.00 S ATOM 667 CE MET A 45 19.423 -29.936 -8.467 1.00 0.00 C ATOM 0 H MET A 45 15.227 -26.692 -9.006 1.00 0.00 H new ATOM 0 HA MET A 45 14.306 -29.277 -8.518 1.00 0.00 H new ATOM 0 HB2 MET A 45 16.634 -29.886 -8.534 1.00 0.00 H new ATOM 0 HB3 MET A 45 16.409 -28.603 -9.707 1.00 0.00 H new ATOM 0 HG2 MET A 45 18.009 -27.409 -8.706 1.00 0.00 H new ATOM 0 HG3 MET A 45 17.036 -27.322 -7.251 1.00 0.00 H new ATOM 0 HE1 MET A 45 20.311 -30.467 -8.124 1.00 0.00 H new ATOM 0 HE2 MET A 45 18.701 -30.651 -8.861 1.00 0.00 H new ATOM 0 HE3 MET A 45 19.702 -29.232 -9.251 1.00 0.00 H new ATOM 677 N THR A 46 14.678 -29.958 -6.125 1.00 0.00 N ATOM 678 CA THR A 46 14.639 -30.265 -4.701 1.00 0.00 C ATOM 679 C THR A 46 15.853 -31.086 -4.282 1.00 0.00 C ATOM 680 O THR A 46 16.689 -31.442 -5.111 1.00 0.00 O ATOM 681 CB THR A 46 13.358 -31.036 -4.328 1.00 0.00 C ATOM 682 OG1 THR A 46 13.222 -31.099 -2.904 1.00 0.00 O ATOM 683 CG2 THR A 46 13.388 -32.445 -4.902 1.00 0.00 C ATOM 0 H THR A 46 14.437 -30.741 -6.732 1.00 0.00 H new ATOM 0 HA THR A 46 14.648 -29.312 -4.172 1.00 0.00 H new ATOM 0 HB THR A 46 12.505 -30.506 -4.751 1.00 0.00 H new ATOM 0 HG1 THR A 46 12.405 -31.589 -2.675 1.00 0.00 H new ATOM 0 HG21 THR A 46 12.474 -32.970 -4.626 1.00 0.00 H new ATOM 0 HG22 THR A 46 13.463 -32.394 -5.988 1.00 0.00 H new ATOM 0 HG23 THR A 46 14.249 -32.982 -4.504 1.00 0.00 H new ATOM 691 N ASN A 47 15.943 -31.383 -2.989 1.00 0.00 N ATOM 692 CA ASN A 47 17.056 -32.163 -2.460 1.00 0.00 C ATOM 693 C ASN A 47 17.245 -33.450 -3.257 1.00 0.00 C ATOM 694 O ASN A 47 18.369 -33.827 -3.589 1.00 0.00 O ATOM 695 CB ASN A 47 16.819 -32.493 -0.985 1.00 0.00 C ATOM 696 CG ASN A 47 15.372 -32.842 -0.696 1.00 0.00 C ATOM 697 OD1 ASN A 47 14.875 -33.882 -1.128 1.00 0.00 O ATOM 698 ND2 ASN A 47 14.689 -31.972 0.039 1.00 0.00 N ATOM 0 H ASN A 47 15.259 -31.095 -2.289 1.00 0.00 H new ATOM 0 HA ASN A 47 17.962 -31.564 -2.550 1.00 0.00 H new ATOM 0 HB2 ASN A 47 17.456 -33.329 -0.696 1.00 0.00 H new ATOM 0 HB3 ASN A 47 17.114 -31.641 -0.373 1.00 0.00 H new ATOM 0 HD21 ASN A 47 13.711 -32.153 0.267 1.00 0.00 H new ATOM 0 HD22 ASN A 47 15.142 -31.122 0.376 1.00 0.00 H new ATOM 705 N ASP A 48 16.139 -34.120 -3.560 1.00 0.00 N ATOM 706 CA ASP A 48 16.182 -35.364 -4.319 1.00 0.00 C ATOM 707 C ASP A 48 16.929 -35.172 -5.636 1.00 0.00 C ATOM 708 O ASP A 48 17.708 -36.031 -6.050 1.00 0.00 O ATOM 709 CB ASP A 48 14.764 -35.870 -4.592 1.00 0.00 C ATOM 710 CG ASP A 48 13.869 -35.768 -3.373 1.00 0.00 C ATOM 711 OD1 ASP A 48 14.268 -36.268 -2.300 1.00 0.00 O ATOM 712 OD2 ASP A 48 12.770 -35.187 -3.491 1.00 0.00 O ATOM 0 H ASP A 48 15.201 -33.822 -3.291 1.00 0.00 H new ATOM 0 HA ASP A 48 16.716 -36.105 -3.724 1.00 0.00 H new ATOM 0 HB2 ASP A 48 14.327 -35.296 -5.409 1.00 0.00 H new ATOM 0 HB3 ASP A 48 14.809 -36.908 -4.921 1.00 0.00 H new ATOM 717 N ASP A 49 16.685 -34.041 -6.288 1.00 0.00 N ATOM 718 CA ASP A 49 17.335 -33.737 -7.558 1.00 0.00 C ATOM 719 C ASP A 49 18.845 -33.620 -7.382 1.00 0.00 C ATOM 720 O ASP A 49 19.615 -33.976 -8.274 1.00 0.00 O ATOM 721 CB ASP A 49 16.775 -32.439 -8.143 1.00 0.00 C ATOM 722 CG ASP A 49 15.281 -32.513 -8.391 1.00 0.00 C ATOM 723 OD1 ASP A 49 14.686 -33.576 -8.117 1.00 0.00 O ATOM 724 OD2 ASP A 49 14.707 -31.507 -8.858 1.00 0.00 O ATOM 0 H ASP A 49 16.043 -33.320 -5.959 1.00 0.00 H new ATOM 0 HA ASP A 49 17.131 -34.556 -8.248 1.00 0.00 H new ATOM 0 HB2 ASP A 49 16.987 -31.615 -7.461 1.00 0.00 H new ATOM 0 HB3 ASP A 49 17.285 -32.216 -9.080 1.00 0.00 H new ATOM 729 N VAL A 50 19.264 -33.117 -6.225 1.00 0.00 N ATOM 730 CA VAL A 50 20.682 -32.952 -5.931 1.00 0.00 C ATOM 731 C VAL A 50 21.389 -34.301 -5.861 1.00 0.00 C ATOM 732 O VAL A 50 22.605 -34.388 -6.036 1.00 0.00 O ATOM 733 CB VAL A 50 20.897 -32.203 -4.603 1.00 0.00 C ATOM 734 CG1 VAL A 50 22.381 -32.092 -4.286 1.00 0.00 C ATOM 735 CG2 VAL A 50 20.251 -30.827 -4.657 1.00 0.00 C ATOM 0 H VAL A 50 18.641 -32.817 -5.476 1.00 0.00 H new ATOM 0 HA VAL A 50 21.107 -32.363 -6.744 1.00 0.00 H new ATOM 0 HB VAL A 50 20.421 -32.772 -3.804 1.00 0.00 H new ATOM 0 HG11 VAL A 50 22.513 -31.560 -3.344 1.00 0.00 H new ATOM 0 HG12 VAL A 50 22.811 -33.090 -4.202 1.00 0.00 H new ATOM 0 HG13 VAL A 50 22.884 -31.546 -5.085 1.00 0.00 H new ATOM 0 HG21 VAL A 50 20.413 -30.312 -3.710 1.00 0.00 H new ATOM 0 HG22 VAL A 50 20.696 -30.248 -5.466 1.00 0.00 H new ATOM 0 HG23 VAL A 50 19.181 -30.934 -4.834 1.00 0.00 H new ATOM 745 N LYS A 51 20.619 -35.354 -5.605 1.00 0.00 N ATOM 746 CA LYS A 51 21.169 -36.701 -5.513 1.00 0.00 C ATOM 747 C LYS A 51 21.130 -37.398 -6.869 1.00 0.00 C ATOM 748 O LYS A 51 21.863 -38.359 -7.105 1.00 0.00 O ATOM 749 CB LYS A 51 20.392 -37.522 -4.482 1.00 0.00 C ATOM 750 CG LYS A 51 20.565 -37.029 -3.056 1.00 0.00 C ATOM 751 CD LYS A 51 19.746 -37.854 -2.077 1.00 0.00 C ATOM 752 CE LYS A 51 20.226 -39.296 -2.024 1.00 0.00 C ATOM 753 NZ LYS A 51 19.128 -40.258 -2.316 1.00 0.00 N ATOM 0 H LYS A 51 19.611 -35.300 -5.458 1.00 0.00 H new ATOM 0 HA LYS A 51 22.209 -36.621 -5.195 1.00 0.00 H new ATOM 0 HB2 LYS A 51 19.333 -37.503 -4.738 1.00 0.00 H new ATOM 0 HB3 LYS A 51 20.715 -38.561 -4.540 1.00 0.00 H new ATOM 0 HG2 LYS A 51 21.618 -37.075 -2.780 1.00 0.00 H new ATOM 0 HG3 LYS A 51 20.264 -35.983 -2.993 1.00 0.00 H new ATOM 0 HD2 LYS A 51 19.811 -37.411 -1.083 1.00 0.00 H new ATOM 0 HD3 LYS A 51 18.696 -37.830 -2.369 1.00 0.00 H new ATOM 0 HE2 LYS A 51 21.033 -39.437 -2.743 1.00 0.00 H new ATOM 0 HE3 LYS A 51 20.639 -39.505 -1.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 19.496 -41.230 -2.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 18.369 -40.142 -1.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 18.751 -40.076 -3.268 1.00 0.00 H new ATOM 767 N ARG A 52 20.271 -36.908 -7.756 1.00 0.00 N ATOM 768 CA ARG A 52 20.136 -37.485 -9.089 1.00 0.00 C ATOM 769 C ARG A 52 21.159 -36.882 -10.047 1.00 0.00 C ATOM 770 O ARG A 52 21.688 -37.572 -10.919 1.00 0.00 O ATOM 771 CB ARG A 52 18.722 -37.257 -9.626 1.00 0.00 C ATOM 772 CG ARG A 52 18.482 -37.879 -10.991 1.00 0.00 C ATOM 773 CD ARG A 52 17.000 -38.108 -11.246 1.00 0.00 C ATOM 774 NE ARG A 52 16.566 -39.429 -10.802 1.00 0.00 N ATOM 775 CZ ARG A 52 15.325 -39.881 -10.944 1.00 0.00 C ATOM 776 NH1 ARG A 52 14.400 -39.122 -11.516 1.00 0.00 N ATOM 777 NH2 ARG A 52 15.006 -41.095 -10.514 1.00 0.00 N ATOM 0 H ARG A 52 19.658 -36.113 -7.576 1.00 0.00 H new ATOM 0 HA ARG A 52 20.320 -38.557 -9.015 1.00 0.00 H new ATOM 0 HB2 ARG A 52 18.003 -37.668 -8.917 1.00 0.00 H new ATOM 0 HB3 ARG A 52 18.534 -36.185 -9.686 1.00 0.00 H new ATOM 0 HG2 ARG A 52 18.889 -37.229 -11.765 1.00 0.00 H new ATOM 0 HG3 ARG A 52 19.015 -38.827 -11.059 1.00 0.00 H new ATOM 0 HD2 ARG A 52 16.421 -37.343 -10.728 1.00 0.00 H new ATOM 0 HD3 ARG A 52 16.794 -37.998 -12.311 1.00 0.00 H new ATOM 0 HE ARG A 52 17.253 -40.038 -10.358 1.00 0.00 H new ATOM 0 HH11 ARG A 52 14.641 -38.188 -11.848 1.00 0.00 H new ATOM 0 HH12 ARG A 52 13.448 -39.472 -11.624 1.00 0.00 H new ATOM 0 HH21 ARG A 52 15.714 -41.682 -10.074 1.00 0.00 H new ATOM 0 HH22 ARG A 52 14.053 -41.441 -10.624 1.00 0.00 H new ATOM 791 N ILE A 53 21.431 -35.593 -9.880 1.00 0.00 N ATOM 792 CA ILE A 53 22.391 -34.899 -10.730 1.00 0.00 C ATOM 793 C ILE A 53 23.724 -35.637 -10.771 1.00 0.00 C ATOM 794 O ILE A 53 24.429 -35.612 -11.779 1.00 0.00 O ATOM 795 CB ILE A 53 22.630 -33.456 -10.247 1.00 0.00 C ATOM 796 CG1 ILE A 53 22.964 -33.444 -8.754 1.00 0.00 C ATOM 797 CG2 ILE A 53 21.409 -32.593 -10.529 1.00 0.00 C ATOM 798 CD1 ILE A 53 23.375 -32.083 -8.238 1.00 0.00 C ATOM 0 H ILE A 53 21.001 -35.008 -9.164 1.00 0.00 H new ATOM 0 HA ILE A 53 21.963 -34.872 -11.732 1.00 0.00 H new ATOM 0 HB ILE A 53 23.477 -33.041 -10.793 1.00 0.00 H new ATOM 0 HG12 ILE A 53 22.096 -33.789 -8.193 1.00 0.00 H new ATOM 0 HG13 ILE A 53 23.769 -34.154 -8.564 1.00 0.00 H new ATOM 0 HG21 ILE A 53 21.594 -31.576 -10.182 1.00 0.00 H new ATOM 0 HG22 ILE A 53 21.212 -32.580 -11.601 1.00 0.00 H new ATOM 0 HG23 ILE A 53 20.545 -33.003 -10.006 1.00 0.00 H new ATOM 0 HD11 ILE A 53 23.597 -32.149 -7.173 1.00 0.00 H new ATOM 0 HD12 ILE A 53 24.262 -31.744 -8.773 1.00 0.00 H new ATOM 0 HD13 ILE A 53 22.563 -31.374 -8.396 1.00 0.00 H new ATOM 810 N GLY A 54 24.063 -36.297 -9.668 1.00 0.00 N ATOM 811 CA GLY A 54 25.311 -37.036 -9.599 1.00 0.00 C ATOM 812 C GLY A 54 25.883 -37.077 -8.196 1.00 0.00 C ATOM 813 O GLY A 54 26.487 -38.071 -7.793 1.00 0.00 O ATOM 0 H GLY A 54 23.496 -36.333 -8.821 1.00 0.00 H new ATOM 0 HA2 GLY A 54 25.147 -38.054 -9.951 1.00 0.00 H new ATOM 0 HA3 GLY A 54 26.038 -36.580 -10.271 1.00 0.00 H new ATOM 817 N VAL A 55 25.695 -35.993 -7.449 1.00 0.00 N ATOM 818 CA VAL A 55 26.198 -35.908 -6.083 1.00 0.00 C ATOM 819 C VAL A 55 25.639 -37.035 -5.221 1.00 0.00 C ATOM 820 O VAL A 55 24.425 -37.169 -5.069 1.00 0.00 O ATOM 821 CB VAL A 55 25.842 -34.557 -5.437 1.00 0.00 C ATOM 822 CG1 VAL A 55 26.540 -34.407 -4.093 1.00 0.00 C ATOM 823 CG2 VAL A 55 26.206 -33.409 -6.367 1.00 0.00 C ATOM 0 H VAL A 55 25.198 -35.161 -7.767 1.00 0.00 H new ATOM 0 HA VAL A 55 27.283 -36.000 -6.138 1.00 0.00 H new ATOM 0 HB VAL A 55 24.766 -34.528 -5.266 1.00 0.00 H new ATOM 0 HG11 VAL A 55 26.276 -33.446 -3.651 1.00 0.00 H new ATOM 0 HG12 VAL A 55 26.225 -35.211 -3.428 1.00 0.00 H new ATOM 0 HG13 VAL A 55 27.619 -34.457 -4.236 1.00 0.00 H new ATOM 0 HG21 VAL A 55 25.947 -32.462 -5.894 1.00 0.00 H new ATOM 0 HG22 VAL A 55 27.276 -33.432 -6.572 1.00 0.00 H new ATOM 0 HG23 VAL A 55 25.655 -33.510 -7.302 1.00 0.00 H new ATOM 833 N ARG A 56 26.533 -37.842 -4.659 1.00 0.00 N ATOM 834 CA ARG A 56 26.128 -38.957 -3.812 1.00 0.00 C ATOM 835 C ARG A 56 26.675 -38.792 -2.397 1.00 0.00 C ATOM 836 O ARG A 56 26.241 -39.475 -1.468 1.00 0.00 O ATOM 837 CB ARG A 56 26.616 -40.280 -4.407 1.00 0.00 C ATOM 838 CG ARG A 56 28.106 -40.518 -4.222 1.00 0.00 C ATOM 839 CD ARG A 56 28.371 -41.683 -3.281 1.00 0.00 C ATOM 840 NE ARG A 56 29.673 -41.575 -2.628 1.00 0.00 N ATOM 841 CZ ARG A 56 30.307 -42.604 -2.079 1.00 0.00 C ATOM 842 NH1 ARG A 56 29.763 -43.813 -2.104 1.00 0.00 N ATOM 843 NH2 ARG A 56 31.489 -42.425 -1.503 1.00 0.00 N ATOM 0 H ARG A 56 27.542 -37.744 -4.775 1.00 0.00 H new ATOM 0 HA ARG A 56 25.039 -38.967 -3.763 1.00 0.00 H new ATOM 0 HB2 ARG A 56 26.066 -41.101 -3.947 1.00 0.00 H new ATOM 0 HB3 ARG A 56 26.383 -40.298 -5.472 1.00 0.00 H new ATOM 0 HG2 ARG A 56 28.567 -40.718 -5.189 1.00 0.00 H new ATOM 0 HG3 ARG A 56 28.573 -39.616 -3.827 1.00 0.00 H new ATOM 0 HD2 ARG A 56 27.588 -41.722 -2.524 1.00 0.00 H new ATOM 0 HD3 ARG A 56 28.322 -42.618 -3.839 1.00 0.00 H new ATOM 0 HE ARG A 56 30.120 -40.659 -2.592 1.00 0.00 H new ATOM 0 HH11 ARG A 56 28.855 -43.955 -2.546 1.00 0.00 H new ATOM 0 HH12 ARG A 56 30.253 -44.601 -1.681 1.00 0.00 H new ATOM 0 HH21 ARG A 56 31.911 -41.496 -1.482 1.00 0.00 H new ATOM 0 HH22 ARG A 56 31.976 -43.216 -1.081 1.00 0.00 H new ATOM 857 N LEU A 57 27.629 -37.881 -2.240 1.00 0.00 N ATOM 858 CA LEU A 57 28.236 -37.625 -0.938 1.00 0.00 C ATOM 859 C LEU A 57 27.306 -36.796 -0.058 1.00 0.00 C ATOM 860 O LEU A 57 26.450 -36.055 -0.541 1.00 0.00 O ATOM 861 CB LEU A 57 29.573 -36.903 -1.110 1.00 0.00 C ATOM 862 CG LEU A 57 30.754 -37.772 -1.543 1.00 0.00 C ATOM 863 CD1 LEU A 57 31.955 -36.906 -1.890 1.00 0.00 C ATOM 864 CD2 LEU A 57 31.111 -38.770 -0.451 1.00 0.00 C ATOM 0 H LEU A 57 27.999 -37.307 -2.998 1.00 0.00 H new ATOM 0 HA LEU A 57 28.409 -38.584 -0.450 1.00 0.00 H new ATOM 0 HB2 LEU A 57 29.443 -36.109 -1.846 1.00 0.00 H new ATOM 0 HB3 LEU A 57 29.828 -36.423 -0.165 1.00 0.00 H new ATOM 0 HG LEU A 57 30.463 -38.328 -2.434 1.00 0.00 H new ATOM 0 HD11 LEU A 57 32.786 -37.542 -2.196 1.00 0.00 H new ATOM 0 HD12 LEU A 57 31.694 -36.232 -2.706 1.00 0.00 H new ATOM 0 HD13 LEU A 57 32.247 -36.322 -1.017 1.00 0.00 H new ATOM 0 HD21 LEU A 57 31.954 -39.380 -0.777 1.00 0.00 H new ATOM 0 HD22 LEU A 57 31.382 -38.233 0.458 1.00 0.00 H new ATOM 0 HD23 LEU A 57 30.254 -39.413 -0.251 1.00 0.00 H new ATOM 876 N PRO A 58 27.478 -36.921 1.267 1.00 0.00 N ATOM 877 CA PRO A 58 26.665 -36.188 2.243 1.00 0.00 C ATOM 878 C PRO A 58 26.969 -34.694 2.245 1.00 0.00 C ATOM 879 O PRO A 58 26.062 -33.866 2.189 1.00 0.00 O ATOM 880 CB PRO A 58 27.064 -36.818 3.580 1.00 0.00 C ATOM 881 CG PRO A 58 28.436 -37.352 3.353 1.00 0.00 C ATOM 882 CD PRO A 58 28.478 -37.786 1.914 1.00 0.00 C ATOM 0 HA PRO A 58 25.600 -36.260 2.023 1.00 0.00 H new ATOM 0 HB2 PRO A 58 27.054 -36.081 4.383 1.00 0.00 H new ATOM 0 HB3 PRO A 58 26.373 -37.611 3.866 1.00 0.00 H new ATOM 0 HG2 PRO A 58 29.189 -36.590 3.553 1.00 0.00 H new ATOM 0 HG3 PRO A 58 28.644 -38.189 4.019 1.00 0.00 H new ATOM 0 HD2 PRO A 58 29.469 -37.648 1.481 1.00 0.00 H new ATOM 0 HD3 PRO A 58 28.227 -38.841 1.805 1.00 0.00 H new ATOM 890 N GLY A 59 28.254 -34.356 2.311 1.00 0.00 N ATOM 891 CA GLY A 59 28.654 -32.961 2.319 1.00 0.00 C ATOM 892 C GLY A 59 28.284 -32.244 1.036 1.00 0.00 C ATOM 893 O GLY A 59 27.594 -31.225 1.063 1.00 0.00 O ATOM 0 H GLY A 59 29.024 -35.023 2.359 1.00 0.00 H new ATOM 0 HA2 GLY A 59 28.183 -32.456 3.162 1.00 0.00 H new ATOM 0 HA3 GLY A 59 29.732 -32.896 2.470 1.00 0.00 H new ATOM 897 N HIS A 60 28.745 -32.776 -0.092 1.00 0.00 N ATOM 898 CA HIS A 60 28.459 -32.179 -1.391 1.00 0.00 C ATOM 899 C HIS A 60 26.962 -31.945 -1.564 1.00 0.00 C ATOM 900 O HIS A 60 26.546 -31.022 -2.263 1.00 0.00 O ATOM 901 CB HIS A 60 28.980 -33.077 -2.514 1.00 0.00 C ATOM 902 CG HIS A 60 30.466 -33.256 -2.498 1.00 0.00 C ATOM 903 ND1 HIS A 60 31.157 -33.908 -3.497 1.00 0.00 N ATOM 904 CD2 HIS A 60 31.396 -32.862 -1.596 1.00 0.00 C ATOM 905 CE1 HIS A 60 32.446 -33.910 -3.210 1.00 0.00 C ATOM 906 NE2 HIS A 60 32.618 -33.280 -2.061 1.00 0.00 N ATOM 0 H HIS A 60 29.318 -33.619 -0.132 1.00 0.00 H new ATOM 0 HA HIS A 60 28.967 -31.216 -1.440 1.00 0.00 H new ATOM 0 HB2 HIS A 60 28.504 -34.054 -2.437 1.00 0.00 H new ATOM 0 HB3 HIS A 60 28.684 -32.653 -3.474 1.00 0.00 H new ATOM 0 HD1 HIS A 60 30.738 -34.324 -4.329 1.00 0.00 H new ATOM 0 HD2 HIS A 60 31.211 -32.320 -0.681 1.00 0.00 H new ATOM 0 HE1 HIS A 60 33.227 -34.351 -3.812 1.00 0.00 H new ATOM 914 N GLN A 61 26.158 -32.787 -0.923 1.00 0.00 N ATOM 915 CA GLN A 61 24.707 -32.672 -1.008 1.00 0.00 C ATOM 916 C GLN A 61 24.207 -31.481 -0.196 1.00 0.00 C ATOM 917 O GLN A 61 23.595 -30.560 -0.737 1.00 0.00 O ATOM 918 CB GLN A 61 24.042 -33.957 -0.512 1.00 0.00 C ATOM 919 CG GLN A 61 23.827 -34.991 -1.605 1.00 0.00 C ATOM 920 CD GLN A 61 23.243 -36.287 -1.076 1.00 0.00 C ATOM 921 OE1 GLN A 61 22.367 -36.279 -0.211 1.00 0.00 O ATOM 922 NE2 GLN A 61 23.726 -37.410 -1.595 1.00 0.00 N ATOM 0 H GLN A 61 26.487 -33.556 -0.339 1.00 0.00 H new ATOM 0 HA GLN A 61 24.441 -32.514 -2.053 1.00 0.00 H new ATOM 0 HB2 GLN A 61 24.657 -34.394 0.275 1.00 0.00 H new ATOM 0 HB3 GLN A 61 23.080 -33.709 -0.064 1.00 0.00 H new ATOM 0 HG2 GLN A 61 23.161 -34.579 -2.363 1.00 0.00 H new ATOM 0 HG3 GLN A 61 24.778 -35.199 -2.095 1.00 0.00 H new ATOM 0 HE21 GLN A 61 24.452 -37.370 -2.310 1.00 0.00 H new ATOM 0 HE22 GLN A 61 23.371 -38.312 -1.278 1.00 0.00 H new ATOM 931 N LYS A 62 24.471 -31.506 1.106 1.00 0.00 N ATOM 932 CA LYS A 62 24.050 -30.429 1.993 1.00 0.00 C ATOM 933 C LYS A 62 24.612 -29.090 1.529 1.00 0.00 C ATOM 934 O LYS A 62 23.954 -28.056 1.643 1.00 0.00 O ATOM 935 CB LYS A 62 24.502 -30.715 3.427 1.00 0.00 C ATOM 936 CG LYS A 62 23.981 -32.030 3.979 1.00 0.00 C ATOM 937 CD LYS A 62 23.672 -31.929 5.463 1.00 0.00 C ATOM 938 CE LYS A 62 22.618 -32.942 5.884 1.00 0.00 C ATOM 939 NZ LYS A 62 21.775 -32.433 7.001 1.00 0.00 N ATOM 0 H LYS A 62 24.975 -32.261 1.570 1.00 0.00 H new ATOM 0 HA LYS A 62 22.962 -30.375 1.966 1.00 0.00 H new ATOM 0 HB2 LYS A 62 25.591 -30.723 3.461 1.00 0.00 H new ATOM 0 HB3 LYS A 62 24.169 -29.902 4.073 1.00 0.00 H new ATOM 0 HG2 LYS A 62 23.081 -32.321 3.438 1.00 0.00 H new ATOM 0 HG3 LYS A 62 24.720 -32.814 3.813 1.00 0.00 H new ATOM 0 HD2 LYS A 62 24.584 -32.092 6.037 1.00 0.00 H new ATOM 0 HD3 LYS A 62 23.324 -30.923 5.695 1.00 0.00 H new ATOM 0 HE2 LYS A 62 21.984 -33.182 5.031 1.00 0.00 H new ATOM 0 HE3 LYS A 62 23.106 -33.868 6.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 21.069 -33.152 7.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 22.377 -32.228 7.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 21.290 -31.563 6.701 1.00 0.00 H new ATOM 953 N ARG A 63 25.833 -29.116 1.003 1.00 0.00 N ATOM 954 CA ARG A 63 26.483 -27.904 0.521 1.00 0.00 C ATOM 955 C ARG A 63 25.625 -27.208 -0.531 1.00 0.00 C ATOM 956 O ARG A 63 25.458 -25.988 -0.503 1.00 0.00 O ATOM 957 CB ARG A 63 27.857 -28.235 -0.064 1.00 0.00 C ATOM 958 CG ARG A 63 28.691 -27.007 -0.393 1.00 0.00 C ATOM 959 CD ARG A 63 30.174 -27.269 -0.184 1.00 0.00 C ATOM 960 NE ARG A 63 30.879 -26.078 0.284 1.00 0.00 N ATOM 961 CZ ARG A 63 32.180 -26.052 0.552 1.00 0.00 C ATOM 962 NH1 ARG A 63 32.914 -27.145 0.397 1.00 0.00 N ATOM 963 NH2 ARG A 63 32.749 -24.930 0.974 1.00 0.00 N ATOM 0 H ARG A 63 26.391 -29.963 0.900 1.00 0.00 H new ATOM 0 HA ARG A 63 26.609 -27.228 1.367 1.00 0.00 H new ATOM 0 HB2 ARG A 63 28.404 -28.856 0.645 1.00 0.00 H new ATOM 0 HB3 ARG A 63 27.724 -28.827 -0.970 1.00 0.00 H new ATOM 0 HG2 ARG A 63 28.515 -26.712 -1.428 1.00 0.00 H new ATOM 0 HG3 ARG A 63 28.376 -26.173 0.234 1.00 0.00 H new ATOM 0 HD2 ARG A 63 30.302 -28.074 0.540 1.00 0.00 H new ATOM 0 HD3 ARG A 63 30.618 -27.609 -1.120 1.00 0.00 H new ATOM 0 HE ARG A 63 30.343 -25.220 0.412 1.00 0.00 H new ATOM 0 HH11 ARG A 63 32.480 -28.009 0.071 1.00 0.00 H new ATOM 0 HH12 ARG A 63 33.913 -27.122 0.603 1.00 0.00 H new ATOM 0 HH21 ARG A 63 32.187 -24.087 1.093 1.00 0.00 H new ATOM 0 HH22 ARG A 63 33.748 -24.911 1.180 1.00 0.00 H new ATOM 977 N ILE A 64 25.083 -27.991 -1.458 1.00 0.00 N ATOM 978 CA ILE A 64 24.242 -27.450 -2.518 1.00 0.00 C ATOM 979 C ILE A 64 22.821 -27.205 -2.022 1.00 0.00 C ATOM 980 O ILE A 64 22.271 -26.118 -2.197 1.00 0.00 O ATOM 981 CB ILE A 64 24.193 -28.393 -3.735 1.00 0.00 C ATOM 982 CG1 ILE A 64 25.603 -28.632 -4.279 1.00 0.00 C ATOM 983 CG2 ILE A 64 23.293 -27.816 -4.817 1.00 0.00 C ATOM 984 CD1 ILE A 64 25.641 -29.563 -5.471 1.00 0.00 C ATOM 0 H ILE A 64 25.212 -29.002 -1.496 1.00 0.00 H new ATOM 0 HA ILE A 64 24.687 -26.502 -2.821 1.00 0.00 H new ATOM 0 HB ILE A 64 23.779 -29.350 -3.418 1.00 0.00 H new ATOM 0 HG12 ILE A 64 26.042 -27.675 -4.562 1.00 0.00 H new ATOM 0 HG13 ILE A 64 26.225 -29.046 -3.485 1.00 0.00 H new ATOM 0 HG21 ILE A 64 23.269 -28.494 -5.670 1.00 0.00 H new ATOM 0 HG22 ILE A 64 22.284 -27.692 -4.423 1.00 0.00 H new ATOM 0 HG23 ILE A 64 23.680 -26.848 -5.134 1.00 0.00 H new ATOM 0 HD11 ILE A 64 26.672 -29.687 -5.803 1.00 0.00 H new ATOM 0 HD12 ILE A 64 25.232 -30.533 -5.188 1.00 0.00 H new ATOM 0 HD13 ILE A 64 25.046 -29.141 -6.281 1.00 0.00 H new ATOM 996 N ALA A 65 22.234 -28.222 -1.400 1.00 0.00 N ATOM 997 CA ALA A 65 20.879 -28.116 -0.874 1.00 0.00 C ATOM 998 C ALA A 65 20.728 -26.884 0.012 1.00 0.00 C ATOM 999 O ALA A 65 19.787 -26.105 -0.146 1.00 0.00 O ATOM 1000 CB ALA A 65 20.514 -29.373 -0.099 1.00 0.00 C ATOM 0 H ALA A 65 22.676 -29.129 -1.248 1.00 0.00 H new ATOM 0 HA ALA A 65 20.196 -28.011 -1.717 1.00 0.00 H new ATOM 0 HB1 ALA A 65 19.499 -29.280 0.288 1.00 0.00 H new ATOM 0 HB2 ALA A 65 20.572 -30.238 -0.760 1.00 0.00 H new ATOM 0 HB3 ALA A 65 21.208 -29.503 0.731 1.00 0.00 H new ATOM 1006 N TYR A 66 21.660 -26.713 0.943 1.00 0.00 N ATOM 1007 CA TYR A 66 21.629 -25.577 1.856 1.00 0.00 C ATOM 1008 C TYR A 66 21.734 -24.260 1.092 1.00 0.00 C ATOM 1009 O TYR A 66 21.121 -23.261 1.467 1.00 0.00 O ATOM 1010 CB TYR A 66 22.767 -25.681 2.872 1.00 0.00 C ATOM 1011 CG TYR A 66 22.541 -24.859 4.121 1.00 0.00 C ATOM 1012 CD1 TYR A 66 21.387 -25.017 4.880 1.00 0.00 C ATOM 1013 CD2 TYR A 66 23.479 -23.925 4.542 1.00 0.00 C ATOM 1014 CE1 TYR A 66 21.176 -24.268 6.022 1.00 0.00 C ATOM 1015 CE2 TYR A 66 23.277 -23.173 5.683 1.00 0.00 C ATOM 1016 CZ TYR A 66 22.124 -23.348 6.419 1.00 0.00 C ATOM 1017 OH TYR A 66 21.918 -22.600 7.555 1.00 0.00 O ATOM 0 H TYR A 66 22.446 -27.347 1.085 1.00 0.00 H new ATOM 0 HA TYR A 66 20.676 -25.595 2.384 1.00 0.00 H new ATOM 0 HB2 TYR A 66 22.897 -26.726 3.154 1.00 0.00 H new ATOM 0 HB3 TYR A 66 23.695 -25.360 2.399 1.00 0.00 H new ATOM 0 HD1 TYR A 66 20.643 -25.737 4.572 1.00 0.00 H new ATOM 0 HD2 TYR A 66 24.382 -23.784 3.967 1.00 0.00 H new ATOM 0 HE1 TYR A 66 20.274 -24.402 6.600 1.00 0.00 H new ATOM 0 HE2 TYR A 66 24.018 -22.452 5.997 1.00 0.00 H new ATOM 0 HH TYR A 66 22.681 -22.001 7.695 1.00 0.00 H new ATOM 1027 N SER A 67 22.515 -24.269 0.016 1.00 0.00 N ATOM 1028 CA SER A 67 22.703 -23.076 -0.801 1.00 0.00 C ATOM 1029 C SER A 67 21.419 -22.716 -1.542 1.00 0.00 C ATOM 1030 O SER A 67 21.097 -21.540 -1.715 1.00 0.00 O ATOM 1031 CB SER A 67 23.840 -23.292 -1.802 1.00 0.00 C ATOM 1032 OG SER A 67 24.892 -22.368 -1.586 1.00 0.00 O ATOM 0 H SER A 67 23.027 -25.089 -0.310 1.00 0.00 H new ATOM 0 HA SER A 67 22.963 -22.250 -0.139 1.00 0.00 H new ATOM 0 HB2 SER A 67 24.221 -24.309 -1.711 1.00 0.00 H new ATOM 0 HB3 SER A 67 23.460 -23.184 -2.818 1.00 0.00 H new ATOM 0 HG SER A 67 25.343 -22.182 -2.436 1.00 0.00 H new ATOM 1038 N LEU A 68 20.689 -23.737 -1.977 1.00 0.00 N ATOM 1039 CA LEU A 68 19.439 -23.530 -2.700 1.00 0.00 C ATOM 1040 C LEU A 68 18.417 -22.811 -1.825 1.00 0.00 C ATOM 1041 O LEU A 68 17.635 -21.992 -2.310 1.00 0.00 O ATOM 1042 CB LEU A 68 18.872 -24.870 -3.171 1.00 0.00 C ATOM 1043 CG LEU A 68 19.718 -25.636 -4.189 1.00 0.00 C ATOM 1044 CD1 LEU A 68 19.246 -27.078 -4.298 1.00 0.00 C ATOM 1045 CD2 LEU A 68 19.668 -24.952 -5.547 1.00 0.00 C ATOM 0 H LEU A 68 20.941 -24.716 -1.842 1.00 0.00 H new ATOM 0 HA LEU A 68 19.649 -22.906 -3.569 1.00 0.00 H new ATOM 0 HB2 LEU A 68 18.725 -25.506 -2.298 1.00 0.00 H new ATOM 0 HB3 LEU A 68 17.888 -24.693 -3.606 1.00 0.00 H new ATOM 0 HG LEU A 68 20.752 -25.639 -3.844 1.00 0.00 H new ATOM 0 HD11 LEU A 68 19.860 -27.608 -5.027 1.00 0.00 H new ATOM 0 HD12 LEU A 68 19.335 -27.564 -3.327 1.00 0.00 H new ATOM 0 HD13 LEU A 68 18.204 -27.097 -4.619 1.00 0.00 H new ATOM 0 HD21 LEU A 68 20.276 -25.511 -6.259 1.00 0.00 H new ATOM 0 HD22 LEU A 68 18.637 -24.917 -5.899 1.00 0.00 H new ATOM 0 HD23 LEU A 68 20.055 -23.937 -5.458 1.00 0.00 H new ATOM 1057 N LEU A 69 18.429 -23.122 -0.534 1.00 0.00 N ATOM 1058 CA LEU A 69 17.504 -22.504 0.411 1.00 0.00 C ATOM 1059 C LEU A 69 17.568 -20.983 0.319 1.00 0.00 C ATOM 1060 O LEU A 69 16.546 -20.303 0.394 1.00 0.00 O ATOM 1061 CB LEU A 69 17.824 -22.955 1.837 1.00 0.00 C ATOM 1062 CG LEU A 69 18.054 -24.454 2.032 1.00 0.00 C ATOM 1063 CD1 LEU A 69 18.240 -24.778 3.506 1.00 0.00 C ATOM 1064 CD2 LEU A 69 16.895 -25.251 1.451 1.00 0.00 C ATOM 0 H LEU A 69 19.069 -23.798 -0.117 1.00 0.00 H new ATOM 0 HA LEU A 69 16.494 -22.823 0.155 1.00 0.00 H new ATOM 0 HB2 LEU A 69 18.715 -22.425 2.173 1.00 0.00 H new ATOM 0 HB3 LEU A 69 17.005 -22.646 2.487 1.00 0.00 H new ATOM 0 HG LEU A 69 18.964 -24.735 1.502 1.00 0.00 H new ATOM 0 HD11 LEU A 69 18.402 -25.849 3.625 1.00 0.00 H new ATOM 0 HD12 LEU A 69 19.103 -24.235 3.892 1.00 0.00 H new ATOM 0 HD13 LEU A 69 17.348 -24.482 4.059 1.00 0.00 H new ATOM 0 HD21 LEU A 69 17.075 -26.316 1.599 1.00 0.00 H new ATOM 0 HD22 LEU A 69 15.970 -24.967 1.953 1.00 0.00 H new ATOM 0 HD23 LEU A 69 16.808 -25.042 0.385 1.00 0.00 H new ATOM 1076 N GLY A 70 18.777 -20.455 0.154 1.00 0.00 N ATOM 1077 CA GLY A 70 18.952 -19.018 0.053 1.00 0.00 C ATOM 1078 C GLY A 70 18.568 -18.482 -1.312 1.00 0.00 C ATOM 1079 O GLY A 70 18.105 -17.347 -1.434 1.00 0.00 O ATOM 0 H GLY A 70 19.639 -20.997 0.088 1.00 0.00 H new ATOM 0 HA2 GLY A 70 18.348 -18.527 0.816 1.00 0.00 H new ATOM 0 HA3 GLY A 70 19.992 -18.766 0.259 1.00 0.00 H new ATOM 1083 N LEU A 71 18.762 -19.298 -2.342 1.00 0.00 N ATOM 1084 CA LEU A 71 18.435 -18.899 -3.707 1.00 0.00 C ATOM 1085 C LEU A 71 16.946 -18.597 -3.843 1.00 0.00 C ATOM 1086 O LEU A 71 16.557 -17.593 -4.440 1.00 0.00 O ATOM 1087 CB LEU A 71 18.836 -20.000 -4.691 1.00 0.00 C ATOM 1088 CG LEU A 71 20.326 -20.336 -4.750 1.00 0.00 C ATOM 1089 CD1 LEU A 71 20.562 -21.566 -5.613 1.00 0.00 C ATOM 1090 CD2 LEU A 71 21.120 -19.151 -5.281 1.00 0.00 C ATOM 0 H LEU A 71 19.144 -20.240 -2.258 1.00 0.00 H new ATOM 0 HA LEU A 71 18.994 -17.992 -3.939 1.00 0.00 H new ATOM 0 HB2 LEU A 71 18.289 -20.907 -4.433 1.00 0.00 H new ATOM 0 HB3 LEU A 71 18.511 -19.704 -5.688 1.00 0.00 H new ATOM 0 HG LEU A 71 20.669 -20.555 -3.739 1.00 0.00 H new ATOM 0 HD11 LEU A 71 21.628 -21.790 -5.643 1.00 0.00 H new ATOM 0 HD12 LEU A 71 20.025 -22.415 -5.191 1.00 0.00 H new ATOM 0 HD13 LEU A 71 20.202 -21.375 -6.624 1.00 0.00 H new ATOM 0 HD21 LEU A 71 22.179 -19.409 -5.316 1.00 0.00 H new ATOM 0 HD22 LEU A 71 20.774 -18.901 -6.284 1.00 0.00 H new ATOM 0 HD23 LEU A 71 20.977 -18.293 -4.624 1.00 0.00 H new ATOM 1102 N LYS A 72 16.116 -19.472 -3.284 1.00 0.00 N ATOM 1103 CA LYS A 72 14.670 -19.298 -3.339 1.00 0.00 C ATOM 1104 C LYS A 72 14.240 -18.061 -2.557 1.00 0.00 C ATOM 1105 O LYS A 72 13.214 -17.450 -2.858 1.00 0.00 O ATOM 1106 CB LYS A 72 13.965 -20.537 -2.783 1.00 0.00 C ATOM 1107 CG LYS A 72 14.355 -21.826 -3.486 1.00 0.00 C ATOM 1108 CD LYS A 72 14.245 -23.023 -2.556 1.00 0.00 C ATOM 1109 CE LYS A 72 15.340 -24.043 -2.828 1.00 0.00 C ATOM 1110 NZ LYS A 72 14.793 -25.420 -2.973 1.00 0.00 N ATOM 0 H LYS A 72 16.421 -20.309 -2.787 1.00 0.00 H new ATOM 0 HA LYS A 72 14.385 -19.163 -4.382 1.00 0.00 H new ATOM 0 HB2 LYS A 72 14.193 -20.629 -1.721 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.887 -20.399 -2.866 1.00 0.00 H new ATOM 0 HG2 LYS A 72 13.712 -21.977 -4.353 1.00 0.00 H new ATOM 0 HG3 LYS A 72 15.377 -21.745 -3.857 1.00 0.00 H new ATOM 0 HD2 LYS A 72 14.308 -22.688 -1.521 1.00 0.00 H new ATOM 0 HD3 LYS A 72 13.269 -23.493 -2.680 1.00 0.00 H new ATOM 0 HE2 LYS A 72 15.875 -23.767 -3.737 1.00 0.00 H new ATOM 0 HE3 LYS A 72 16.064 -24.024 -2.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 15.571 -26.085 -3.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.304 -25.693 -2.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.121 -25.445 -3.766 1.00 0.00 H new