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 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 61 GLN :FLIP amide:sc= -1.88 F(o=-2.4,f=-1.9) USER MOD Set 2.1: A 24 MET CE :methyl -134:sc= -3.12 (180deg=-0.0765) USER MOD Set 2.2: A 27 TYR OH : rot 167:sc= 1.25 USER MOD Set 2.3: A 60 HIS : no HD1:sc= -2.92 K(o=-4.8,f=-13!) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.22 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -84:sc= 0.622 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= -0.0833 K(o=-0.083,f=-1) USER MOD Single : A 28 THR OG1 : rot 180:sc= -1.34 USER MOD Single : A 30 HIS : no HD1:sc= -0.199 X(o=-0.2,f=-0.54) USER MOD Single : A 32 MET CE :methyl -139:sc= -0.707 (180deg=-3.23!) USER MOD Single : A 36 TYR OH : rot -83:sc= 1.07 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= -0.055 X(o=-0.055,f=-0.42) USER MOD Single : A 45 MET CE :methyl 145:sc= -0.976 (180deg=-2.34) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.171 USER MOD Single : A 47 ASN : amide:sc= -0.345 K(o=-0.34,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 -115:sc= -0.164 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 138 N ARG A 13 24.529 -14.794 -11.262 1.00 0.00 N ATOM 139 CA ARG A 13 23.881 -14.714 -12.566 1.00 0.00 C ATOM 140 C ARG A 13 24.000 -16.038 -13.315 1.00 0.00 C ATOM 141 O ARG A 13 23.169 -16.361 -14.164 1.00 0.00 O ATOM 142 CB ARG A 13 24.499 -13.589 -13.398 1.00 0.00 C ATOM 143 CG ARG A 13 26.019 -13.579 -13.377 1.00 0.00 C ATOM 144 CD ARG A 13 26.583 -12.552 -14.345 1.00 0.00 C ATOM 145 NE ARG A 13 27.341 -13.176 -15.426 1.00 0.00 N ATOM 146 CZ ARG A 13 28.553 -13.695 -15.269 1.00 0.00 C ATOM 147 NH1 ARG A 13 29.142 -13.665 -14.082 1.00 0.00 N ATOM 148 NH2 ARG A 13 29.179 -14.247 -16.301 1.00 0.00 N ATOM 0 HA ARG A 13 22.824 -14.501 -12.406 1.00 0.00 H new ATOM 0 HB2 ARG A 13 24.159 -13.683 -14.429 1.00 0.00 H new ATOM 0 HB3 ARG A 13 24.133 -12.632 -13.028 1.00 0.00 H new ATOM 0 HG2 ARG A 13 26.368 -13.360 -12.368 1.00 0.00 H new ATOM 0 HG3 ARG A 13 26.394 -14.569 -13.636 1.00 0.00 H new ATOM 0 HD2 ARG A 13 25.767 -11.965 -14.767 1.00 0.00 H new ATOM 0 HD3 ARG A 13 27.227 -11.859 -13.804 1.00 0.00 H new ATOM 0 HE ARG A 13 26.916 -13.215 -16.352 1.00 0.00 H new ATOM 0 HH11 ARG A 13 28.664 -13.242 -13.286 1.00 0.00 H new ATOM 0 HH12 ARG A 13 30.073 -14.065 -13.964 1.00 0.00 H new ATOM 0 HH21 ARG A 13 28.729 -14.273 -17.216 1.00 0.00 H new ATOM 0 HH22 ARG A 13 30.110 -14.645 -16.179 1.00 0.00 H new ATOM 162 N THR A 14 25.039 -16.803 -12.994 1.00 0.00 N ATOM 163 CA THR A 14 25.268 -18.091 -13.636 1.00 0.00 C ATOM 164 C THR A 14 25.390 -19.206 -12.604 1.00 0.00 C ATOM 165 O THR A 14 25.741 -18.962 -11.450 1.00 0.00 O ATOM 166 CB THR A 14 26.542 -18.068 -14.503 1.00 0.00 C ATOM 167 OG1 THR A 14 27.696 -17.899 -13.673 1.00 0.00 O ATOM 168 CG2 THR A 14 26.479 -16.944 -15.527 1.00 0.00 C ATOM 0 H THR A 14 25.736 -16.552 -12.292 1.00 0.00 H new ATOM 0 HA THR A 14 24.406 -18.283 -14.275 1.00 0.00 H new ATOM 0 HB THR A 14 26.612 -19.018 -15.033 1.00 0.00 H new ATOM 0 HG1 THR A 14 28.501 -17.887 -14.231 1.00 0.00 H new ATOM 0 HG21 THR A 14 27.389 -16.947 -16.127 1.00 0.00 H new ATOM 0 HG22 THR A 14 25.616 -17.091 -16.176 1.00 0.00 H new ATOM 0 HG23 THR A 14 26.388 -15.988 -15.012 1.00 0.00 H new ATOM 176 N VAL A 15 25.098 -20.432 -13.027 1.00 0.00 N ATOM 177 CA VAL A 15 25.176 -21.586 -12.140 1.00 0.00 C ATOM 178 C VAL A 15 26.614 -21.849 -11.707 1.00 0.00 C ATOM 179 O VAL A 15 26.858 -22.437 -10.653 1.00 0.00 O ATOM 180 CB VAL A 15 24.614 -22.852 -12.814 1.00 0.00 C ATOM 181 CG1 VAL A 15 24.716 -24.046 -11.877 1.00 0.00 C ATOM 182 CG2 VAL A 15 23.174 -22.627 -13.251 1.00 0.00 C ATOM 0 H VAL A 15 24.805 -20.651 -13.979 1.00 0.00 H new ATOM 0 HA VAL A 15 24.572 -21.353 -11.263 1.00 0.00 H new ATOM 0 HB VAL A 15 25.210 -23.066 -13.701 1.00 0.00 H new ATOM 0 HG11 VAL A 15 24.314 -24.931 -12.370 1.00 0.00 H new ATOM 0 HG12 VAL A 15 25.761 -24.218 -11.619 1.00 0.00 H new ATOM 0 HG13 VAL A 15 24.146 -23.846 -10.970 1.00 0.00 H new ATOM 0 HG21 VAL A 15 22.792 -23.531 -13.725 1.00 0.00 H new ATOM 0 HG22 VAL A 15 22.563 -22.388 -12.381 1.00 0.00 H new ATOM 0 HG23 VAL A 15 23.134 -21.801 -13.961 1.00 0.00 H new ATOM 192 N SER A 16 27.563 -21.411 -12.528 1.00 0.00 N ATOM 193 CA SER A 16 28.978 -21.602 -12.232 1.00 0.00 C ATOM 194 C SER A 16 29.399 -20.766 -11.027 1.00 0.00 C ATOM 195 O SER A 16 30.007 -21.277 -10.087 1.00 0.00 O ATOM 196 CB SER A 16 29.830 -21.231 -13.448 1.00 0.00 C ATOM 197 OG SER A 16 31.138 -20.853 -13.057 1.00 0.00 O ATOM 0 H SER A 16 27.378 -20.921 -13.403 1.00 0.00 H new ATOM 0 HA SER A 16 29.135 -22.654 -11.995 1.00 0.00 H new ATOM 0 HB2 SER A 16 29.882 -22.078 -14.132 1.00 0.00 H new ATOM 0 HB3 SER A 16 29.358 -20.412 -13.991 1.00 0.00 H new ATOM 0 HG SER A 16 31.663 -20.622 -13.852 1.00 0.00 H new ATOM 203 N GLU A 17 29.071 -19.479 -11.065 1.00 0.00 N ATOM 204 CA GLU A 17 29.416 -18.571 -9.977 1.00 0.00 C ATOM 205 C GLU A 17 28.766 -19.018 -8.670 1.00 0.00 C ATOM 206 O GLU A 17 29.267 -18.725 -7.584 1.00 0.00 O ATOM 207 CB GLU A 17 28.979 -17.144 -10.315 1.00 0.00 C ATOM 208 CG GLU A 17 29.518 -16.641 -11.643 1.00 0.00 C ATOM 209 CD GLU A 17 30.610 -15.603 -11.473 1.00 0.00 C ATOM 210 OE1 GLU A 17 30.426 -14.678 -10.654 1.00 0.00 O ATOM 211 OE2 GLU A 17 31.647 -15.714 -12.159 1.00 0.00 O ATOM 0 H GLU A 17 28.567 -19.041 -11.836 1.00 0.00 H new ATOM 0 HA GLU A 17 30.498 -18.591 -9.851 1.00 0.00 H new ATOM 0 HB2 GLU A 17 27.890 -17.102 -10.335 1.00 0.00 H new ATOM 0 HB3 GLU A 17 29.310 -16.474 -9.521 1.00 0.00 H new ATOM 0 HG2 GLU A 17 29.908 -17.483 -12.215 1.00 0.00 H new ATOM 0 HG3 GLU A 17 28.701 -16.212 -12.224 1.00 0.00 H new ATOM 218 N TRP A 18 27.649 -19.727 -8.783 1.00 0.00 N ATOM 219 CA TRP A 18 26.931 -20.213 -7.611 1.00 0.00 C ATOM 220 C TRP A 18 27.602 -21.456 -7.038 1.00 0.00 C ATOM 221 O TRP A 18 27.950 -21.498 -5.857 1.00 0.00 O ATOM 222 CB TRP A 18 25.477 -20.523 -7.971 1.00 0.00 C ATOM 223 CG TRP A 18 24.729 -21.219 -6.874 1.00 0.00 C ATOM 224 CD1 TRP A 18 24.443 -20.724 -5.634 1.00 0.00 C ATOM 225 CD2 TRP A 18 24.173 -22.538 -6.919 1.00 0.00 C ATOM 226 NE1 TRP A 18 23.743 -21.655 -4.906 1.00 0.00 N ATOM 227 CE2 TRP A 18 23.564 -22.776 -5.672 1.00 0.00 C ATOM 228 CE3 TRP A 18 24.129 -23.540 -7.892 1.00 0.00 C ATOM 229 CZ2 TRP A 18 22.922 -23.975 -5.374 1.00 0.00 C ATOM 230 CZ3 TRP A 18 23.491 -24.729 -7.595 1.00 0.00 C ATOM 231 CH2 TRP A 18 22.894 -24.938 -6.345 1.00 0.00 C ATOM 0 H TRP A 18 27.221 -19.978 -9.674 1.00 0.00 H new ATOM 0 HA TRP A 18 26.951 -19.430 -6.853 1.00 0.00 H new ATOM 0 HB2 TRP A 18 24.965 -19.593 -8.217 1.00 0.00 H new ATOM 0 HB3 TRP A 18 25.456 -21.145 -8.866 1.00 0.00 H new ATOM 0 HD1 TRP A 18 24.726 -19.744 -5.278 1.00 0.00 H new ATOM 0 HE1 TRP A 18 23.410 -21.531 -3.950 1.00 0.00 H new ATOM 0 HE3 TRP A 18 24.586 -23.388 -8.859 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 22.462 -24.139 -4.410 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 23.452 -25.511 -8.339 1.00 0.00 H new ATOM 0 HH2 TRP A 18 22.402 -25.878 -6.144 1.00 0.00 H new ATOM 242 N LEU A 19 27.781 -22.468 -7.880 1.00 0.00 N ATOM 243 CA LEU A 19 28.412 -23.713 -7.457 1.00 0.00 C ATOM 244 C LEU A 19 29.854 -23.473 -7.022 1.00 0.00 C ATOM 245 O LEU A 19 30.270 -23.913 -5.951 1.00 0.00 O ATOM 246 CB LEU A 19 28.373 -24.739 -8.591 1.00 0.00 C ATOM 247 CG LEU A 19 27.090 -25.562 -8.709 1.00 0.00 C ATOM 248 CD1 LEU A 19 27.034 -26.275 -10.051 1.00 0.00 C ATOM 249 CD2 LEU A 19 26.992 -26.562 -7.566 1.00 0.00 C ATOM 0 H LEU A 19 27.498 -22.451 -8.860 1.00 0.00 H new ATOM 0 HA LEU A 19 27.855 -24.102 -6.604 1.00 0.00 H new ATOM 0 HB2 LEU A 19 28.533 -24.215 -9.533 1.00 0.00 H new ATOM 0 HB3 LEU A 19 29.210 -25.425 -8.462 1.00 0.00 H new ATOM 0 HG LEU A 19 26.239 -24.884 -8.646 1.00 0.00 H new ATOM 0 HD11 LEU A 19 26.114 -26.856 -10.116 1.00 0.00 H new ATOM 0 HD12 LEU A 19 27.057 -25.539 -10.855 1.00 0.00 H new ATOM 0 HD13 LEU A 19 27.891 -26.942 -10.145 1.00 0.00 H new ATOM 0 HD21 LEU A 19 26.073 -27.139 -7.666 1.00 0.00 H new ATOM 0 HD22 LEU A 19 27.849 -27.235 -7.597 1.00 0.00 H new ATOM 0 HD23 LEU A 19 26.984 -26.029 -6.615 1.00 0.00 H new ATOM 261 N GLU A 20 30.610 -22.770 -7.860 1.00 0.00 N ATOM 262 CA GLU A 20 32.005 -22.471 -7.560 1.00 0.00 C ATOM 263 C GLU A 20 32.142 -21.844 -6.176 1.00 0.00 C ATOM 264 O GLU A 20 33.146 -22.038 -5.491 1.00 0.00 O ATOM 265 CB GLU A 20 32.587 -21.531 -8.618 1.00 0.00 C ATOM 266 CG GLU A 20 32.111 -20.094 -8.483 1.00 0.00 C ATOM 267 CD GLU A 20 32.958 -19.288 -7.517 1.00 0.00 C ATOM 268 OE1 GLU A 20 34.188 -19.499 -7.487 1.00 0.00 O ATOM 269 OE2 GLU A 20 32.389 -18.445 -6.792 1.00 0.00 O ATOM 0 H GLU A 20 30.280 -22.398 -8.750 1.00 0.00 H new ATOM 0 HA GLU A 20 32.561 -23.408 -7.571 1.00 0.00 H new ATOM 0 HB2 GLU A 20 33.675 -21.552 -8.552 1.00 0.00 H new ATOM 0 HB3 GLU A 20 32.320 -21.902 -9.608 1.00 0.00 H new ATOM 0 HG2 GLU A 20 32.129 -19.616 -9.462 1.00 0.00 H new ATOM 0 HG3 GLU A 20 31.075 -20.088 -8.144 1.00 0.00 H new ATOM 276 N SER A 21 31.125 -21.089 -5.771 1.00 0.00 N ATOM 277 CA SER A 21 31.133 -20.429 -4.471 1.00 0.00 C ATOM 278 C SER A 21 31.154 -21.455 -3.341 1.00 0.00 C ATOM 279 O SER A 21 31.769 -21.232 -2.298 1.00 0.00 O ATOM 280 CB SER A 21 29.909 -19.522 -4.329 1.00 0.00 C ATOM 281 OG SER A 21 28.895 -20.149 -3.563 1.00 0.00 O ATOM 0 H SER A 21 30.285 -20.920 -6.325 1.00 0.00 H new ATOM 0 HA SER A 21 32.036 -19.822 -4.404 1.00 0.00 H new ATOM 0 HB2 SER A 21 30.200 -18.585 -3.855 1.00 0.00 H new ATOM 0 HB3 SER A 21 29.521 -19.272 -5.317 1.00 0.00 H new ATOM 0 HG SER A 21 28.359 -20.729 -4.143 1.00 0.00 H new ATOM 287 N ILE A 22 30.477 -22.577 -3.558 1.00 0.00 N ATOM 288 CA ILE A 22 30.418 -23.638 -2.559 1.00 0.00 C ATOM 289 C ILE A 22 31.339 -24.795 -2.932 1.00 0.00 C ATOM 290 O ILE A 22 31.131 -25.931 -2.504 1.00 0.00 O ATOM 291 CB ILE A 22 28.984 -24.171 -2.388 1.00 0.00 C ATOM 292 CG1 ILE A 22 28.464 -24.734 -3.713 1.00 0.00 C ATOM 293 CG2 ILE A 22 28.066 -23.070 -1.878 1.00 0.00 C ATOM 294 CD1 ILE A 22 27.109 -25.396 -3.599 1.00 0.00 C ATOM 0 H ILE A 22 29.962 -22.775 -4.416 1.00 0.00 H new ATOM 0 HA ILE A 22 30.749 -23.203 -1.616 1.00 0.00 H new ATOM 0 HB ILE A 22 28.997 -24.976 -1.653 1.00 0.00 H new ATOM 0 HG12 ILE A 22 28.404 -23.927 -4.443 1.00 0.00 H new ATOM 0 HG13 ILE A 22 29.182 -25.459 -4.097 1.00 0.00 H new ATOM 0 HG21 ILE A 22 27.056 -23.463 -1.762 1.00 0.00 H new ATOM 0 HG22 ILE A 22 28.428 -22.711 -0.915 1.00 0.00 H new ATOM 0 HG23 ILE A 22 28.055 -22.246 -2.591 1.00 0.00 H new ATOM 0 HD11 ILE A 22 26.804 -25.771 -4.576 1.00 0.00 H new ATOM 0 HD12 ILE A 22 27.167 -26.225 -2.894 1.00 0.00 H new ATOM 0 HD13 ILE A 22 26.378 -24.669 -3.245 1.00 0.00 H new ATOM 306 N LYS A 23 32.358 -24.500 -3.731 1.00 0.00 N ATOM 307 CA LYS A 23 33.314 -25.514 -4.159 1.00 0.00 C ATOM 308 C LYS A 23 32.596 -26.721 -4.754 1.00 0.00 C ATOM 309 O LYS A 23 32.883 -27.864 -4.397 1.00 0.00 O ATOM 310 CB LYS A 23 34.185 -25.955 -2.981 1.00 0.00 C ATOM 311 CG LYS A 23 35.053 -24.843 -2.418 1.00 0.00 C ATOM 312 CD LYS A 23 36.318 -24.654 -3.238 1.00 0.00 C ATOM 313 CE LYS A 23 37.542 -24.496 -2.349 1.00 0.00 C ATOM 314 NZ LYS A 23 38.801 -24.814 -3.077 1.00 0.00 N ATOM 0 H LYS A 23 32.543 -23.566 -4.096 1.00 0.00 H new ATOM 0 HA LYS A 23 33.950 -25.076 -4.928 1.00 0.00 H new ATOM 0 HB2 LYS A 23 33.543 -26.340 -2.189 1.00 0.00 H new ATOM 0 HB3 LYS A 23 34.825 -26.778 -3.301 1.00 0.00 H new ATOM 0 HG2 LYS A 23 34.487 -23.912 -2.401 1.00 0.00 H new ATOM 0 HG3 LYS A 23 35.318 -25.074 -1.386 1.00 0.00 H new ATOM 0 HD2 LYS A 23 36.455 -25.510 -3.899 1.00 0.00 H new ATOM 0 HD3 LYS A 23 36.213 -23.774 -3.873 1.00 0.00 H new ATOM 0 HE2 LYS A 23 37.588 -23.474 -1.973 1.00 0.00 H new ATOM 0 HE3 LYS A 23 37.448 -25.151 -1.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 39.612 -24.694 -2.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 38.768 -25.797 -3.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 38.904 -24.173 -3.889 1.00 0.00 H new ATOM 328 N MET A 24 31.662 -26.461 -5.663 1.00 0.00 N ATOM 329 CA MET A 24 30.905 -27.527 -6.308 1.00 0.00 C ATOM 330 C MET A 24 30.762 -27.263 -7.804 1.00 0.00 C ATOM 331 O MET A 24 29.804 -27.713 -8.433 1.00 0.00 O ATOM 332 CB MET A 24 29.523 -27.661 -5.667 1.00 0.00 C ATOM 333 CG MET A 24 29.569 -28.035 -4.195 1.00 0.00 C ATOM 334 SD MET A 24 29.228 -29.783 -3.911 1.00 0.00 S ATOM 335 CE MET A 24 30.850 -30.370 -3.429 1.00 0.00 C ATOM 0 H MET A 24 31.411 -25.521 -5.969 1.00 0.00 H new ATOM 0 HA MET A 24 31.451 -28.460 -6.172 1.00 0.00 H new ATOM 0 HB2 MET A 24 28.988 -26.718 -5.777 1.00 0.00 H new ATOM 0 HB3 MET A 24 28.953 -28.416 -6.208 1.00 0.00 H new ATOM 0 HG2 MET A 24 30.552 -27.791 -3.793 1.00 0.00 H new ATOM 0 HG3 MET A 24 28.842 -27.434 -3.649 1.00 0.00 H new ATOM 0 HE1 MET A 24 31.075 -31.294 -3.961 1.00 0.00 H new ATOM 0 HE2 MET A 24 31.598 -29.617 -3.677 1.00 0.00 H new ATOM 0 HE3 MET A 24 30.865 -30.556 -2.355 1.00 0.00 H new ATOM 345 N GLN A 25 31.719 -26.532 -8.366 1.00 0.00 N ATOM 346 CA GLN A 25 31.697 -26.208 -9.787 1.00 0.00 C ATOM 347 C GLN A 25 31.829 -27.469 -10.635 1.00 0.00 C ATOM 348 O GLN A 25 31.269 -27.555 -11.727 1.00 0.00 O ATOM 349 CB GLN A 25 32.823 -25.230 -10.127 1.00 0.00 C ATOM 350 CG GLN A 25 34.200 -25.721 -9.710 1.00 0.00 C ATOM 351 CD GLN A 25 35.318 -24.855 -10.257 1.00 0.00 C ATOM 352 OE1 GLN A 25 35.810 -25.081 -11.363 1.00 0.00 O ATOM 353 NE2 GLN A 25 35.726 -23.856 -9.484 1.00 0.00 N ATOM 0 H GLN A 25 32.519 -26.153 -7.859 1.00 0.00 H new ATOM 0 HA GLN A 25 30.739 -25.739 -10.012 1.00 0.00 H new ATOM 0 HB2 GLN A 25 32.822 -25.046 -11.201 1.00 0.00 H new ATOM 0 HB3 GLN A 25 32.624 -24.275 -9.640 1.00 0.00 H new ATOM 0 HG2 GLN A 25 34.260 -25.741 -8.622 1.00 0.00 H new ATOM 0 HG3 GLN A 25 34.337 -26.746 -10.056 1.00 0.00 H new ATOM 0 HE21 GLN A 25 35.290 -23.704 -8.574 1.00 0.00 H new ATOM 0 HE22 GLN A 25 36.475 -23.240 -9.800 1.00 0.00 H new ATOM 362 N GLN A 26 32.574 -28.444 -10.124 1.00 0.00 N ATOM 363 CA GLN A 26 32.780 -29.700 -10.835 1.00 0.00 C ATOM 364 C GLN A 26 31.449 -30.385 -11.129 1.00 0.00 C ATOM 365 O GLN A 26 31.337 -31.166 -12.073 1.00 0.00 O ATOM 366 CB GLN A 26 33.677 -30.632 -10.019 1.00 0.00 C ATOM 367 CG GLN A 26 33.011 -31.172 -8.764 1.00 0.00 C ATOM 368 CD GLN A 26 34.012 -31.555 -7.691 1.00 0.00 C ATOM 369 OE1 GLN A 26 35.030 -30.886 -7.508 1.00 0.00 O ATOM 370 NE2 GLN A 26 33.727 -32.635 -6.973 1.00 0.00 N ATOM 0 H GLN A 26 33.045 -28.388 -9.221 1.00 0.00 H new ATOM 0 HA GLN A 26 33.269 -29.475 -11.783 1.00 0.00 H new ATOM 0 HB2 GLN A 26 33.984 -31.469 -10.646 1.00 0.00 H new ATOM 0 HB3 GLN A 26 34.583 -30.096 -9.737 1.00 0.00 H new ATOM 0 HG2 GLN A 26 32.329 -30.420 -8.367 1.00 0.00 H new ATOM 0 HG3 GLN A 26 32.410 -32.044 -9.023 1.00 0.00 H new ATOM 0 HE21 GLN A 26 32.872 -33.160 -7.158 1.00 0.00 H new ATOM 0 HE22 GLN A 26 34.363 -32.940 -6.236 1.00 0.00 H new ATOM 379 N TYR A 27 30.444 -30.087 -10.313 1.00 0.00 N ATOM 380 CA TYR A 27 29.121 -30.676 -10.483 1.00 0.00 C ATOM 381 C TYR A 27 28.300 -29.886 -11.498 1.00 0.00 C ATOM 382 O TYR A 27 27.271 -30.358 -11.985 1.00 0.00 O ATOM 383 CB TYR A 27 28.386 -30.725 -9.143 1.00 0.00 C ATOM 384 CG TYR A 27 28.785 -31.898 -8.276 1.00 0.00 C ATOM 385 CD1 TYR A 27 28.769 -33.194 -8.776 1.00 0.00 C ATOM 386 CD2 TYR A 27 29.179 -31.710 -6.957 1.00 0.00 C ATOM 387 CE1 TYR A 27 29.132 -34.269 -7.988 1.00 0.00 C ATOM 388 CE2 TYR A 27 29.545 -32.778 -6.162 1.00 0.00 C ATOM 389 CZ TYR A 27 29.520 -34.056 -6.681 1.00 0.00 C ATOM 390 OH TYR A 27 29.884 -35.123 -5.893 1.00 0.00 O ATOM 0 H TYR A 27 30.520 -29.441 -9.527 1.00 0.00 H new ATOM 0 HA TYR A 27 29.248 -31.692 -10.857 1.00 0.00 H new ATOM 0 HB2 TYR A 27 28.578 -29.800 -8.599 1.00 0.00 H new ATOM 0 HB3 TYR A 27 27.313 -30.769 -9.328 1.00 0.00 H new ATOM 0 HD1 TYR A 27 28.467 -33.364 -9.799 1.00 0.00 H new ATOM 0 HD2 TYR A 27 29.199 -30.711 -6.546 1.00 0.00 H new ATOM 0 HE1 TYR A 27 29.112 -35.270 -8.392 1.00 0.00 H new ATOM 0 HE2 TYR A 27 29.849 -32.614 -5.139 1.00 0.00 H new ATOM 0 HH TYR A 27 30.328 -34.795 -5.083 1.00 0.00 H new ATOM 400 N THR A 28 28.762 -28.680 -11.814 1.00 0.00 N ATOM 401 CA THR A 28 28.071 -27.824 -12.770 1.00 0.00 C ATOM 402 C THR A 28 27.789 -28.567 -14.070 1.00 0.00 C ATOM 403 O THR A 28 26.708 -28.441 -14.645 1.00 0.00 O ATOM 404 CB THR A 28 28.891 -26.557 -13.083 1.00 0.00 C ATOM 405 OG1 THR A 28 29.266 -25.903 -11.866 1.00 0.00 O ATOM 406 CG2 THR A 28 28.093 -25.599 -13.955 1.00 0.00 C ATOM 0 H THR A 28 29.612 -28.274 -11.422 1.00 0.00 H new ATOM 0 HA THR A 28 27.127 -27.533 -12.310 1.00 0.00 H new ATOM 0 HB THR A 28 29.788 -26.856 -13.625 1.00 0.00 H new ATOM 0 HG1 THR A 28 29.788 -25.100 -12.074 1.00 0.00 H new ATOM 0 HG21 THR A 28 28.691 -24.712 -14.163 1.00 0.00 H new ATOM 0 HG22 THR A 28 27.834 -26.090 -14.893 1.00 0.00 H new ATOM 0 HG23 THR A 28 27.181 -25.307 -13.435 1.00 0.00 H new ATOM 414 N GLU A 29 28.767 -29.342 -14.528 1.00 0.00 N ATOM 415 CA GLU A 29 28.622 -30.106 -15.761 1.00 0.00 C ATOM 416 C GLU A 29 27.427 -31.052 -15.678 1.00 0.00 C ATOM 417 O GLU A 29 26.786 -31.349 -16.686 1.00 0.00 O ATOM 418 CB GLU A 29 29.897 -30.902 -16.048 1.00 0.00 C ATOM 419 CG GLU A 29 31.151 -30.044 -16.100 1.00 0.00 C ATOM 420 CD GLU A 29 32.288 -30.623 -15.280 1.00 0.00 C ATOM 421 OE1 GLU A 29 32.582 -31.826 -15.441 1.00 0.00 O ATOM 422 OE2 GLU A 29 32.882 -29.874 -14.477 1.00 0.00 O ATOM 0 H GLU A 29 29.668 -29.457 -14.064 1.00 0.00 H new ATOM 0 HA GLU A 29 28.451 -29.402 -16.575 1.00 0.00 H new ATOM 0 HB2 GLU A 29 30.020 -31.665 -15.279 1.00 0.00 H new ATOM 0 HB3 GLU A 29 29.784 -31.423 -16.999 1.00 0.00 H new ATOM 0 HG2 GLU A 29 31.472 -29.939 -17.136 1.00 0.00 H new ATOM 0 HG3 GLU A 29 30.918 -29.044 -15.735 1.00 0.00 H new ATOM 429 N HIS A 30 27.135 -31.521 -14.470 1.00 0.00 N ATOM 430 CA HIS A 30 26.017 -32.433 -14.254 1.00 0.00 C ATOM 431 C HIS A 30 24.698 -31.670 -14.186 1.00 0.00 C ATOM 432 O HIS A 30 23.699 -32.082 -14.777 1.00 0.00 O ATOM 433 CB HIS A 30 26.224 -33.232 -12.967 1.00 0.00 C ATOM 434 CG HIS A 30 27.313 -34.256 -13.066 1.00 0.00 C ATOM 435 ND1 HIS A 30 28.587 -33.960 -13.502 1.00 0.00 N ATOM 436 CD2 HIS A 30 27.312 -35.579 -12.780 1.00 0.00 C ATOM 437 CE1 HIS A 30 29.323 -35.057 -13.482 1.00 0.00 C ATOM 438 NE2 HIS A 30 28.573 -36.054 -13.047 1.00 0.00 N ATOM 0 H HIS A 30 27.656 -31.285 -13.626 1.00 0.00 H new ATOM 0 HA HIS A 30 25.975 -33.122 -15.098 1.00 0.00 H new ATOM 0 HB2 HIS A 30 26.457 -32.543 -12.155 1.00 0.00 H new ATOM 0 HB3 HIS A 30 25.291 -33.730 -12.704 1.00 0.00 H new ATOM 0 HD2 HIS A 30 26.476 -36.154 -12.411 1.00 0.00 H new ATOM 0 HE1 HIS A 30 30.361 -35.127 -13.772 1.00 0.00 H new ATOM 0 HE2 HIS A 30 28.880 -37.019 -12.929 1.00 0.00 H new ATOM 446 N PHE A 31 24.701 -30.556 -13.461 1.00 0.00 N ATOM 447 CA PHE A 31 23.504 -29.736 -13.315 1.00 0.00 C ATOM 448 C PHE A 31 22.904 -29.401 -14.677 1.00 0.00 C ATOM 449 O PHE A 31 21.702 -29.551 -14.892 1.00 0.00 O ATOM 450 CB PHE A 31 23.833 -28.447 -12.559 1.00 0.00 C ATOM 451 CG PHE A 31 23.695 -28.575 -11.068 1.00 0.00 C ATOM 452 CD1 PHE A 31 22.487 -28.307 -10.446 1.00 0.00 C ATOM 453 CD2 PHE A 31 24.774 -28.963 -10.290 1.00 0.00 C ATOM 454 CE1 PHE A 31 22.358 -28.423 -9.074 1.00 0.00 C ATOM 455 CE2 PHE A 31 24.651 -29.081 -8.919 1.00 0.00 C ATOM 456 CZ PHE A 31 23.441 -28.812 -8.310 1.00 0.00 C ATOM 0 H PHE A 31 25.519 -30.201 -12.966 1.00 0.00 H new ATOM 0 HA PHE A 31 22.770 -30.307 -12.745 1.00 0.00 H new ATOM 0 HB2 PHE A 31 24.853 -28.146 -12.797 1.00 0.00 H new ATOM 0 HB3 PHE A 31 23.176 -27.651 -12.910 1.00 0.00 H new ATOM 0 HD1 PHE A 31 21.637 -28.004 -11.039 1.00 0.00 H new ATOM 0 HD2 PHE A 31 25.722 -29.176 -10.761 1.00 0.00 H new ATOM 0 HE1 PHE A 31 21.411 -28.210 -8.600 1.00 0.00 H new ATOM 0 HE2 PHE A 31 25.500 -29.383 -8.324 1.00 0.00 H new ATOM 0 HZ PHE A 31 23.342 -28.906 -7.239 1.00 0.00 H new ATOM 466 N MET A 32 23.752 -28.945 -15.594 1.00 0.00 N ATOM 467 CA MET A 32 23.306 -28.589 -16.936 1.00 0.00 C ATOM 468 C MET A 32 22.611 -29.768 -17.609 1.00 0.00 C ATOM 469 O MET A 32 21.480 -29.648 -18.080 1.00 0.00 O ATOM 470 CB MET A 32 24.492 -28.129 -17.786 1.00 0.00 C ATOM 471 CG MET A 32 25.283 -26.992 -17.159 1.00 0.00 C ATOM 472 SD MET A 32 25.225 -25.482 -18.143 1.00 0.00 S ATOM 473 CE MET A 32 25.226 -24.238 -16.854 1.00 0.00 C ATOM 0 H MET A 32 24.750 -28.814 -15.432 1.00 0.00 H new ATOM 0 HA MET A 32 22.592 -27.770 -16.848 1.00 0.00 H new ATOM 0 HB2 MET A 32 25.158 -28.975 -17.954 1.00 0.00 H new ATOM 0 HB3 MET A 32 24.127 -27.812 -18.763 1.00 0.00 H new ATOM 0 HG2 MET A 32 24.891 -26.787 -16.163 1.00 0.00 H new ATOM 0 HG3 MET A 32 26.321 -27.301 -17.035 1.00 0.00 H new ATOM 0 HE1 MET A 32 24.527 -23.443 -17.115 1.00 0.00 H new ATOM 0 HE2 MET A 32 24.924 -24.692 -15.910 1.00 0.00 H new ATOM 0 HE3 MET A 32 26.228 -23.821 -16.752 1.00 0.00 H new ATOM 483 N ALA A 33 23.294 -30.907 -17.651 1.00 0.00 N ATOM 484 CA ALA A 33 22.741 -32.108 -18.264 1.00 0.00 C ATOM 485 C ALA A 33 21.385 -32.458 -17.661 1.00 0.00 C ATOM 486 O ALA A 33 20.508 -32.984 -18.346 1.00 0.00 O ATOM 487 CB ALA A 33 23.707 -33.273 -18.108 1.00 0.00 C ATOM 0 H ALA A 33 24.232 -31.023 -17.267 1.00 0.00 H new ATOM 0 HA ALA A 33 22.596 -31.910 -19.326 1.00 0.00 H new ATOM 0 HB1 ALA A 33 23.281 -34.163 -18.570 1.00 0.00 H new ATOM 0 HB2 ALA A 33 24.652 -33.029 -18.593 1.00 0.00 H new ATOM 0 HB3 ALA A 33 23.881 -33.462 -17.049 1.00 0.00 H new ATOM 493 N ALA A 34 21.221 -32.164 -16.376 1.00 0.00 N ATOM 494 CA ALA A 34 19.971 -32.447 -15.682 1.00 0.00 C ATOM 495 C ALA A 34 18.892 -31.437 -16.059 1.00 0.00 C ATOM 496 O ALA A 34 17.700 -31.725 -15.971 1.00 0.00 O ATOM 497 CB ALA A 34 20.192 -32.448 -14.176 1.00 0.00 C ATOM 0 H ALA A 34 21.938 -31.730 -15.794 1.00 0.00 H new ATOM 0 HA ALA A 34 19.630 -33.436 -15.989 1.00 0.00 H new ATOM 0 HB1 ALA A 34 19.250 -32.661 -13.670 1.00 0.00 H new ATOM 0 HB2 ALA A 34 20.924 -33.213 -13.916 1.00 0.00 H new ATOM 0 HB3 ALA A 34 20.560 -31.471 -13.862 1.00 0.00 H new ATOM 503 N GLY A 35 19.320 -30.250 -16.479 1.00 0.00 N ATOM 504 CA GLY A 35 18.378 -29.214 -16.862 1.00 0.00 C ATOM 505 C GLY A 35 18.392 -28.036 -15.908 1.00 0.00 C ATOM 506 O GLY A 35 17.353 -27.429 -15.645 1.00 0.00 O ATOM 0 H GLY A 35 20.302 -29.987 -16.561 1.00 0.00 H new ATOM 0 HA2 GLY A 35 18.614 -28.866 -17.868 1.00 0.00 H new ATOM 0 HA3 GLY A 35 17.374 -29.636 -16.899 1.00 0.00 H new ATOM 510 N TYR A 36 19.570 -27.713 -15.387 1.00 0.00 N ATOM 511 CA TYR A 36 19.714 -26.602 -14.454 1.00 0.00 C ATOM 512 C TYR A 36 20.846 -25.673 -14.883 1.00 0.00 C ATOM 513 O TYR A 36 21.824 -25.490 -14.157 1.00 0.00 O ATOM 514 CB TYR A 36 19.977 -27.126 -13.041 1.00 0.00 C ATOM 515 CG TYR A 36 18.977 -28.163 -12.584 1.00 0.00 C ATOM 516 CD1 TYR A 36 17.610 -27.933 -12.689 1.00 0.00 C ATOM 517 CD2 TYR A 36 19.398 -29.374 -12.048 1.00 0.00 C ATOM 518 CE1 TYR A 36 16.693 -28.878 -12.272 1.00 0.00 C ATOM 519 CE2 TYR A 36 18.487 -30.325 -11.630 1.00 0.00 C ATOM 520 CZ TYR A 36 17.136 -30.072 -11.743 1.00 0.00 C ATOM 521 OH TYR A 36 16.225 -31.017 -11.328 1.00 0.00 O ATOM 0 H TYR A 36 20.439 -28.205 -15.595 1.00 0.00 H new ATOM 0 HA TYR A 36 18.783 -26.036 -14.457 1.00 0.00 H new ATOM 0 HB2 TYR A 36 20.978 -27.557 -13.003 1.00 0.00 H new ATOM 0 HB3 TYR A 36 19.964 -26.288 -12.344 1.00 0.00 H new ATOM 0 HD1 TYR A 36 17.259 -27.000 -13.104 1.00 0.00 H new ATOM 0 HD2 TYR A 36 20.455 -29.575 -11.957 1.00 0.00 H new ATOM 0 HE1 TYR A 36 15.634 -28.683 -12.360 1.00 0.00 H new ATOM 0 HE2 TYR A 36 18.831 -31.262 -11.217 1.00 0.00 H new ATOM 0 HH TYR A 36 15.920 -30.802 -10.422 1.00 0.00 H new ATOM 531 N THR A 37 20.705 -25.087 -16.068 1.00 0.00 N ATOM 532 CA THR A 37 21.714 -24.178 -16.596 1.00 0.00 C ATOM 533 C THR A 37 21.510 -22.763 -16.065 1.00 0.00 C ATOM 534 O THR A 37 22.451 -21.973 -16.001 1.00 0.00 O ATOM 535 CB THR A 37 21.691 -24.144 -18.135 1.00 0.00 C ATOM 536 OG1 THR A 37 20.537 -23.429 -18.592 1.00 0.00 O ATOM 537 CG2 THR A 37 21.679 -25.554 -18.707 1.00 0.00 C ATOM 0 H THR A 37 19.901 -25.226 -16.680 1.00 0.00 H new ATOM 0 HA THR A 37 22.682 -24.553 -16.263 1.00 0.00 H new ATOM 0 HB THR A 37 22.592 -23.637 -18.479 1.00 0.00 H new ATOM 0 HG1 THR A 37 20.531 -23.410 -19.572 1.00 0.00 H new ATOM 0 HG21 THR A 37 21.663 -25.505 -19.796 1.00 0.00 H new ATOM 0 HG22 THR A 37 22.573 -26.086 -18.381 1.00 0.00 H new ATOM 0 HG23 THR A 37 20.793 -26.082 -18.354 1.00 0.00 H new ATOM 545 N ALA A 38 20.276 -22.451 -15.685 1.00 0.00 N ATOM 546 CA ALA A 38 19.950 -21.132 -15.157 1.00 0.00 C ATOM 547 C ALA A 38 19.433 -21.226 -13.725 1.00 0.00 C ATOM 548 O ALA A 38 18.748 -22.183 -13.364 1.00 0.00 O ATOM 549 CB ALA A 38 18.923 -20.447 -16.046 1.00 0.00 C ATOM 0 H ALA A 38 19.485 -23.094 -15.733 1.00 0.00 H new ATOM 0 HA ALA A 38 20.863 -20.536 -15.148 1.00 0.00 H new ATOM 0 HB1 ALA A 38 18.689 -19.463 -15.640 1.00 0.00 H new ATOM 0 HB2 ALA A 38 19.328 -20.337 -17.052 1.00 0.00 H new ATOM 0 HB3 ALA A 38 18.015 -21.049 -16.084 1.00 0.00 H new ATOM 555 N ILE A 39 19.767 -20.228 -12.914 1.00 0.00 N ATOM 556 CA ILE A 39 19.336 -20.199 -11.522 1.00 0.00 C ATOM 557 C ILE A 39 17.818 -20.298 -11.414 1.00 0.00 C ATOM 558 O ILE A 39 17.286 -20.744 -10.398 1.00 0.00 O ATOM 559 CB ILE A 39 19.806 -18.915 -10.813 1.00 0.00 C ATOM 560 CG1 ILE A 39 21.320 -18.750 -10.962 1.00 0.00 C ATOM 561 CG2 ILE A 39 19.413 -18.946 -9.344 1.00 0.00 C ATOM 562 CD1 ILE A 39 22.112 -19.906 -10.392 1.00 0.00 C ATOM 0 H ILE A 39 20.335 -19.429 -13.197 1.00 0.00 H new ATOM 0 HA ILE A 39 19.790 -21.061 -11.034 1.00 0.00 H new ATOM 0 HB ILE A 39 19.318 -18.060 -11.281 1.00 0.00 H new ATOM 0 HG12 ILE A 39 21.563 -18.639 -12.019 1.00 0.00 H new ATOM 0 HG13 ILE A 39 21.628 -17.829 -10.466 1.00 0.00 H new ATOM 0 HG21 ILE A 39 19.752 -18.032 -8.857 1.00 0.00 H new ATOM 0 HG22 ILE A 39 18.329 -19.022 -9.259 1.00 0.00 H new ATOM 0 HG23 ILE A 39 19.876 -19.807 -8.862 1.00 0.00 H new ATOM 0 HD11 ILE A 39 23.177 -19.722 -10.532 1.00 0.00 H new ATOM 0 HD12 ILE A 39 21.898 -20.004 -9.328 1.00 0.00 H new ATOM 0 HD13 ILE A 39 21.832 -20.826 -10.905 1.00 0.00 H new ATOM 574 N GLU A 40 17.126 -19.882 -12.471 1.00 0.00 N ATOM 575 CA GLU A 40 15.669 -19.925 -12.494 1.00 0.00 C ATOM 576 C GLU A 40 15.165 -21.358 -12.348 1.00 0.00 C ATOM 577 O GLU A 40 14.072 -21.595 -11.832 1.00 0.00 O ATOM 578 CB GLU A 40 15.140 -19.317 -13.795 1.00 0.00 C ATOM 579 CG GLU A 40 15.792 -17.993 -14.157 1.00 0.00 C ATOM 580 CD GLU A 40 14.909 -17.129 -15.036 1.00 0.00 C ATOM 581 OE1 GLU A 40 13.961 -16.514 -14.504 1.00 0.00 O ATOM 582 OE2 GLU A 40 15.166 -17.069 -16.257 1.00 0.00 O ATOM 0 H GLU A 40 17.551 -19.512 -13.321 1.00 0.00 H new ATOM 0 HA GLU A 40 15.300 -19.341 -11.651 1.00 0.00 H new ATOM 0 HB2 GLU A 40 15.299 -20.025 -14.608 1.00 0.00 H new ATOM 0 HB3 GLU A 40 14.064 -19.170 -13.706 1.00 0.00 H new ATOM 0 HG2 GLU A 40 16.032 -17.449 -13.244 1.00 0.00 H new ATOM 0 HG3 GLU A 40 16.734 -18.185 -14.671 1.00 0.00 H new ATOM 589 N LYS A 41 15.969 -22.311 -12.806 1.00 0.00 N ATOM 590 CA LYS A 41 15.607 -23.722 -12.727 1.00 0.00 C ATOM 591 C LYS A 41 16.242 -24.378 -11.505 1.00 0.00 C ATOM 592 O LYS A 41 15.644 -25.252 -10.877 1.00 0.00 O ATOM 593 CB LYS A 41 16.045 -24.454 -13.998 1.00 0.00 C ATOM 594 CG LYS A 41 15.452 -23.873 -15.270 1.00 0.00 C ATOM 595 CD LYS A 41 16.535 -23.427 -16.237 1.00 0.00 C ATOM 596 CE LYS A 41 16.787 -24.473 -17.313 1.00 0.00 C ATOM 597 NZ LYS A 41 16.609 -23.914 -18.682 1.00 0.00 N ATOM 0 H LYS A 41 16.876 -22.132 -13.236 1.00 0.00 H new ATOM 0 HA LYS A 41 14.523 -23.789 -12.632 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.132 -24.424 -14.068 1.00 0.00 H new ATOM 0 HB3 LYS A 41 15.759 -25.503 -13.920 1.00 0.00 H new ATOM 0 HG2 LYS A 41 14.818 -24.618 -15.751 1.00 0.00 H new ATOM 0 HG3 LYS A 41 14.814 -23.025 -15.021 1.00 0.00 H new ATOM 0 HD2 LYS A 41 16.243 -22.486 -16.704 1.00 0.00 H new ATOM 0 HD3 LYS A 41 17.458 -23.237 -15.689 1.00 0.00 H new ATOM 0 HE2 LYS A 41 17.799 -24.864 -17.209 1.00 0.00 H new ATOM 0 HE3 LYS A 41 16.105 -25.311 -17.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 16.789 -24.657 -19.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 15.636 -23.563 -18.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 17.277 -23.130 -18.827 1.00 0.00 H new ATOM 611 N VAL A 42 17.455 -23.951 -11.172 1.00 0.00 N ATOM 612 CA VAL A 42 18.170 -24.495 -10.024 1.00 0.00 C ATOM 613 C VAL A 42 17.352 -24.344 -8.746 1.00 0.00 C ATOM 614 O VAL A 42 17.535 -25.093 -7.786 1.00 0.00 O ATOM 615 CB VAL A 42 19.533 -23.806 -9.832 1.00 0.00 C ATOM 616 CG1 VAL A 42 20.248 -24.365 -8.612 1.00 0.00 C ATOM 617 CG2 VAL A 42 20.389 -23.963 -11.080 1.00 0.00 C ATOM 0 H VAL A 42 17.964 -23.229 -11.682 1.00 0.00 H new ATOM 0 HA VAL A 42 18.333 -25.554 -10.226 1.00 0.00 H new ATOM 0 HB VAL A 42 19.362 -22.742 -9.667 1.00 0.00 H new ATOM 0 HG11 VAL A 42 21.209 -23.865 -8.493 1.00 0.00 H new ATOM 0 HG12 VAL A 42 19.639 -24.196 -7.724 1.00 0.00 H new ATOM 0 HG13 VAL A 42 20.409 -25.435 -8.743 1.00 0.00 H new ATOM 0 HG21 VAL A 42 21.349 -23.470 -10.927 1.00 0.00 H new ATOM 0 HG22 VAL A 42 20.552 -25.022 -11.278 1.00 0.00 H new ATOM 0 HG23 VAL A 42 19.880 -23.509 -11.930 1.00 0.00 H new ATOM 627 N VAL A 43 16.448 -23.370 -8.741 1.00 0.00 N ATOM 628 CA VAL A 43 15.600 -23.120 -7.581 1.00 0.00 C ATOM 629 C VAL A 43 14.389 -24.048 -7.576 1.00 0.00 C ATOM 630 O VAL A 43 13.815 -24.328 -6.524 1.00 0.00 O ATOM 631 CB VAL A 43 15.113 -21.659 -7.545 1.00 0.00 C ATOM 632 CG1 VAL A 43 16.294 -20.705 -7.458 1.00 0.00 C ATOM 633 CG2 VAL A 43 14.259 -21.352 -8.766 1.00 0.00 C ATOM 0 H VAL A 43 16.284 -22.741 -9.527 1.00 0.00 H new ATOM 0 HA VAL A 43 16.208 -23.314 -6.697 1.00 0.00 H new ATOM 0 HB VAL A 43 14.498 -21.521 -6.656 1.00 0.00 H new ATOM 0 HG11 VAL A 43 15.931 -19.678 -7.434 1.00 0.00 H new ATOM 0 HG12 VAL A 43 16.862 -20.911 -6.551 1.00 0.00 H new ATOM 0 HG13 VAL A 43 16.937 -20.842 -8.327 1.00 0.00 H new ATOM 0 HG21 VAL A 43 13.924 -20.316 -8.724 1.00 0.00 H new ATOM 0 HG22 VAL A 43 14.848 -21.507 -9.670 1.00 0.00 H new ATOM 0 HG23 VAL A 43 13.393 -22.013 -8.780 1.00 0.00 H new ATOM 643 N GLN A 44 14.008 -24.521 -8.758 1.00 0.00 N ATOM 644 CA GLN A 44 12.866 -25.417 -8.889 1.00 0.00 C ATOM 645 C GLN A 44 13.218 -26.821 -8.410 1.00 0.00 C ATOM 646 O GLN A 44 12.394 -27.504 -7.802 1.00 0.00 O ATOM 647 CB GLN A 44 12.393 -25.465 -10.343 1.00 0.00 C ATOM 648 CG GLN A 44 11.970 -24.111 -10.891 1.00 0.00 C ATOM 649 CD GLN A 44 10.915 -24.223 -11.973 1.00 0.00 C ATOM 650 OE1 GLN A 44 9.930 -24.946 -11.823 1.00 0.00 O ATOM 651 NE2 GLN A 44 11.115 -23.505 -13.072 1.00 0.00 N ATOM 0 H GLN A 44 14.473 -24.299 -9.638 1.00 0.00 H new ATOM 0 HA GLN A 44 12.060 -25.031 -8.265 1.00 0.00 H new ATOM 0 HB2 GLN A 44 13.195 -25.864 -10.964 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.555 -26.157 -10.421 1.00 0.00 H new ATOM 0 HG2 GLN A 44 11.585 -23.498 -10.076 1.00 0.00 H new ATOM 0 HG3 GLN A 44 12.843 -23.597 -11.292 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.946 -22.919 -13.154 1.00 0.00 H new ATOM 0 HE22 GLN A 44 10.438 -23.540 -13.834 1.00 0.00 H new ATOM 660 N MET A 45 14.446 -27.246 -8.689 1.00 0.00 N ATOM 661 CA MET A 45 14.906 -28.569 -8.285 1.00 0.00 C ATOM 662 C MET A 45 14.752 -28.763 -6.780 1.00 0.00 C ATOM 663 O MET A 45 14.849 -27.809 -6.007 1.00 0.00 O ATOM 664 CB MET A 45 16.368 -28.769 -8.689 1.00 0.00 C ATOM 665 CG MET A 45 17.349 -27.985 -7.831 1.00 0.00 C ATOM 666 SD MET A 45 18.435 -29.052 -6.866 1.00 0.00 S ATOM 667 CE MET A 45 19.346 -29.876 -8.169 1.00 0.00 C ATOM 0 H MET A 45 15.140 -26.694 -9.193 1.00 0.00 H new ATOM 0 HA MET A 45 14.290 -29.311 -8.794 1.00 0.00 H new ATOM 0 HB2 MET A 45 16.611 -29.830 -8.628 1.00 0.00 H new ATOM 0 HB3 MET A 45 16.492 -28.473 -9.731 1.00 0.00 H new ATOM 0 HG2 MET A 45 17.953 -27.343 -8.472 1.00 0.00 H new ATOM 0 HG3 MET A 45 16.795 -27.332 -7.157 1.00 0.00 H new ATOM 0 HE1 MET A 45 20.371 -30.050 -7.842 1.00 0.00 H new ATOM 0 HE2 MET A 45 18.871 -30.830 -8.397 1.00 0.00 H new ATOM 0 HE3 MET A 45 19.351 -29.250 -9.062 1.00 0.00 H new ATOM 677 N THR A 46 14.509 -30.004 -6.369 1.00 0.00 N ATOM 678 CA THR A 46 14.340 -30.322 -4.957 1.00 0.00 C ATOM 679 C THR A 46 15.571 -31.027 -4.400 1.00 0.00 C ATOM 680 O THR A 46 16.485 -31.381 -5.144 1.00 0.00 O ATOM 681 CB THR A 46 13.105 -31.213 -4.726 1.00 0.00 C ATOM 682 OG1 THR A 46 12.857 -31.354 -3.323 1.00 0.00 O ATOM 683 CG2 THR A 46 13.303 -32.586 -5.352 1.00 0.00 C ATOM 0 H THR A 46 14.425 -30.805 -6.995 1.00 0.00 H new ATOM 0 HA THR A 46 14.200 -29.375 -4.435 1.00 0.00 H new ATOM 0 HB THR A 46 12.247 -30.736 -5.199 1.00 0.00 H new ATOM 0 HG1 THR A 46 12.069 -31.920 -3.185 1.00 0.00 H new ATOM 0 HG21 THR A 46 12.418 -33.197 -5.176 1.00 0.00 H new ATOM 0 HG22 THR A 46 13.461 -32.477 -6.425 1.00 0.00 H new ATOM 0 HG23 THR A 46 14.172 -33.068 -4.904 1.00 0.00 H new ATOM 691 N ASN A 47 15.590 -31.227 -3.086 1.00 0.00 N ATOM 692 CA ASN A 47 16.711 -31.890 -2.430 1.00 0.00 C ATOM 693 C ASN A 47 17.031 -33.218 -3.109 1.00 0.00 C ATOM 694 O ASN A 47 18.192 -33.620 -3.192 1.00 0.00 O ATOM 695 CB ASN A 47 16.396 -32.124 -0.951 1.00 0.00 C ATOM 696 CG ASN A 47 15.859 -30.880 -0.270 1.00 0.00 C ATOM 697 OD1 ASN A 47 15.988 -29.770 -0.788 1.00 0.00 O ATOM 698 ND2 ASN A 47 15.251 -31.060 0.897 1.00 0.00 N ATOM 0 H ASN A 47 14.842 -30.939 -2.455 1.00 0.00 H new ATOM 0 HA ASN A 47 17.583 -31.241 -2.512 1.00 0.00 H new ATOM 0 HB2 ASN A 47 15.666 -32.928 -0.861 1.00 0.00 H new ATOM 0 HB3 ASN A 47 17.299 -32.455 -0.438 1.00 0.00 H new ATOM 0 HD21 ASN A 47 14.868 -30.260 1.401 1.00 0.00 H new ATOM 0 HD22 ASN A 47 15.167 -31.998 1.289 1.00 0.00 H new ATOM 705 N ASP A 48 15.995 -33.893 -3.594 1.00 0.00 N ATOM 706 CA ASP A 48 16.165 -35.175 -4.268 1.00 0.00 C ATOM 707 C ASP A 48 16.945 -35.005 -5.569 1.00 0.00 C ATOM 708 O ASP A 48 17.806 -35.821 -5.899 1.00 0.00 O ATOM 709 CB ASP A 48 14.804 -35.810 -4.554 1.00 0.00 C ATOM 710 CG ASP A 48 14.920 -37.257 -4.990 1.00 0.00 C ATOM 711 OD1 ASP A 48 15.247 -37.496 -6.172 1.00 0.00 O ATOM 712 OD2 ASP A 48 14.686 -38.150 -4.150 1.00 0.00 O ATOM 0 H ASP A 48 15.028 -33.574 -3.533 1.00 0.00 H new ATOM 0 HA ASP A 48 16.732 -35.832 -3.608 1.00 0.00 H new ATOM 0 HB2 ASP A 48 14.184 -35.752 -3.659 1.00 0.00 H new ATOM 0 HB3 ASP A 48 14.296 -35.239 -5.331 1.00 0.00 H new ATOM 717 N ASP A 49 16.636 -33.942 -6.303 1.00 0.00 N ATOM 718 CA ASP A 49 17.307 -33.666 -7.568 1.00 0.00 C ATOM 719 C ASP A 49 18.816 -33.554 -7.370 1.00 0.00 C ATOM 720 O ASP A 49 19.596 -33.903 -8.255 1.00 0.00 O ATOM 721 CB ASP A 49 16.765 -32.376 -8.186 1.00 0.00 C ATOM 722 CG ASP A 49 15.298 -32.483 -8.553 1.00 0.00 C ATOM 723 OD1 ASP A 49 14.663 -33.491 -8.177 1.00 0.00 O ATOM 724 OD2 ASP A 49 14.784 -31.557 -9.215 1.00 0.00 O ATOM 0 H ASP A 49 15.926 -33.257 -6.044 1.00 0.00 H new ATOM 0 HA ASP A 49 17.108 -34.497 -8.245 1.00 0.00 H new ATOM 0 HB2 ASP A 49 16.902 -31.554 -7.483 1.00 0.00 H new ATOM 0 HB3 ASP A 49 17.343 -32.133 -9.078 1.00 0.00 H new ATOM 729 N VAL A 50 19.219 -33.064 -6.202 1.00 0.00 N ATOM 730 CA VAL A 50 20.634 -32.906 -5.887 1.00 0.00 C ATOM 731 C VAL A 50 21.343 -34.255 -5.851 1.00 0.00 C ATOM 732 O VAL A 50 22.560 -34.334 -6.017 1.00 0.00 O ATOM 733 CB VAL A 50 20.832 -32.199 -4.533 1.00 0.00 C ATOM 734 CG1 VAL A 50 22.313 -32.075 -4.207 1.00 0.00 C ATOM 735 CG2 VAL A 50 20.164 -30.833 -4.543 1.00 0.00 C ATOM 0 H VAL A 50 18.586 -32.770 -5.458 1.00 0.00 H new ATOM 0 HA VAL A 50 21.067 -32.292 -6.676 1.00 0.00 H new ATOM 0 HB VAL A 50 20.363 -32.802 -3.756 1.00 0.00 H new ATOM 0 HG11 VAL A 50 22.433 -31.573 -3.247 1.00 0.00 H new ATOM 0 HG12 VAL A 50 22.759 -33.068 -4.156 1.00 0.00 H new ATOM 0 HG13 VAL A 50 22.809 -31.495 -4.985 1.00 0.00 H new ATOM 0 HG21 VAL A 50 20.314 -30.348 -3.579 1.00 0.00 H new ATOM 0 HG22 VAL A 50 20.602 -30.219 -5.330 1.00 0.00 H new ATOM 0 HG23 VAL A 50 19.096 -30.951 -4.728 1.00 0.00 H new ATOM 745 N LYS A 51 20.573 -35.317 -5.635 1.00 0.00 N ATOM 746 CA LYS A 51 21.126 -36.665 -5.580 1.00 0.00 C ATOM 747 C LYS A 51 21.051 -37.340 -6.945 1.00 0.00 C ATOM 748 O LYS A 51 21.795 -38.280 -7.225 1.00 0.00 O ATOM 749 CB LYS A 51 20.375 -37.503 -4.543 1.00 0.00 C ATOM 750 CG LYS A 51 20.587 -37.035 -3.113 1.00 0.00 C ATOM 751 CD LYS A 51 20.099 -38.067 -2.111 1.00 0.00 C ATOM 752 CE LYS A 51 20.954 -39.325 -2.143 1.00 0.00 C ATOM 753 NZ LYS A 51 21.214 -39.854 -0.776 1.00 0.00 N ATOM 0 H LYS A 51 19.564 -35.270 -5.495 1.00 0.00 H new ATOM 0 HA LYS A 51 22.174 -36.590 -5.289 1.00 0.00 H new ATOM 0 HB2 LYS A 51 19.309 -37.478 -4.770 1.00 0.00 H new ATOM 0 HB3 LYS A 51 20.694 -38.542 -4.628 1.00 0.00 H new ATOM 0 HG2 LYS A 51 21.646 -36.838 -2.947 1.00 0.00 H new ATOM 0 HG3 LYS A 51 20.059 -36.095 -2.955 1.00 0.00 H new ATOM 0 HD2 LYS A 51 20.117 -37.639 -1.109 1.00 0.00 H new ATOM 0 HD3 LYS A 51 19.063 -38.325 -2.329 1.00 0.00 H new ATOM 0 HE2 LYS A 51 20.454 -40.089 -2.739 1.00 0.00 H new ATOM 0 HE3 LYS A 51 21.902 -39.107 -2.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 21.800 -40.711 -0.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 21.714 -39.135 -0.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 20.311 -40.086 -0.316 1.00 0.00 H new ATOM 767 N ARG A 52 20.150 -36.854 -7.793 1.00 0.00 N ATOM 768 CA ARG A 52 19.979 -37.410 -9.129 1.00 0.00 C ATOM 769 C ARG A 52 20.994 -36.814 -10.100 1.00 0.00 C ATOM 770 O ARG A 52 21.443 -37.483 -11.032 1.00 0.00 O ATOM 771 CB ARG A 52 18.559 -37.150 -9.635 1.00 0.00 C ATOM 772 CG ARG A 52 18.288 -37.731 -11.014 1.00 0.00 C ATOM 773 CD ARG A 52 16.799 -37.771 -11.318 1.00 0.00 C ATOM 774 NE ARG A 52 16.338 -39.123 -11.619 1.00 0.00 N ATOM 775 CZ ARG A 52 16.651 -39.776 -12.732 1.00 0.00 C ATOM 776 NH1 ARG A 52 17.423 -39.204 -13.646 1.00 0.00 N ATOM 777 NH2 ARG A 52 16.193 -41.005 -12.934 1.00 0.00 N ATOM 0 H ARG A 52 19.527 -36.076 -7.578 1.00 0.00 H new ATOM 0 HA ARG A 52 20.145 -38.486 -9.072 1.00 0.00 H new ATOM 0 HB2 ARG A 52 17.847 -37.572 -8.926 1.00 0.00 H new ATOM 0 HB3 ARG A 52 18.383 -36.075 -9.662 1.00 0.00 H new ATOM 0 HG2 ARG A 52 18.799 -37.133 -11.769 1.00 0.00 H new ATOM 0 HG3 ARG A 52 18.700 -38.738 -11.073 1.00 0.00 H new ATOM 0 HD2 ARG A 52 16.244 -37.380 -10.465 1.00 0.00 H new ATOM 0 HD3 ARG A 52 16.584 -37.118 -12.164 1.00 0.00 H new ATOM 0 HE ARG A 52 15.742 -39.592 -10.937 1.00 0.00 H new ATOM 0 HH11 ARG A 52 17.778 -38.260 -13.495 1.00 0.00 H new ATOM 0 HH12 ARG A 52 17.662 -39.708 -14.500 1.00 0.00 H new ATOM 0 HH21 ARG A 52 15.599 -41.450 -12.234 1.00 0.00 H new ATOM 0 HH22 ARG A 52 16.434 -41.505 -13.790 1.00 0.00 H new ATOM 791 N ILE A 53 21.350 -35.554 -9.876 1.00 0.00 N ATOM 792 CA ILE A 53 22.312 -34.869 -10.730 1.00 0.00 C ATOM 793 C ILE A 53 23.636 -35.624 -10.784 1.00 0.00 C ATOM 794 O ILE A 53 24.330 -35.610 -11.800 1.00 0.00 O ATOM 795 CB ILE A 53 22.574 -33.431 -10.244 1.00 0.00 C ATOM 796 CG1 ILE A 53 22.906 -33.428 -8.750 1.00 0.00 C ATOM 797 CG2 ILE A 53 21.367 -32.549 -10.525 1.00 0.00 C ATOM 798 CD1 ILE A 53 23.337 -32.075 -8.230 1.00 0.00 C ATOM 0 H ILE A 53 20.987 -34.987 -9.110 1.00 0.00 H new ATOM 0 HA ILE A 53 21.876 -34.833 -11.728 1.00 0.00 H new ATOM 0 HB ILE A 53 23.428 -33.029 -10.788 1.00 0.00 H new ATOM 0 HG12 ILE A 53 22.032 -33.761 -8.191 1.00 0.00 H new ATOM 0 HG13 ILE A 53 23.700 -34.151 -8.561 1.00 0.00 H new ATOM 0 HG21 ILE A 53 21.567 -31.536 -10.176 1.00 0.00 H new ATOM 0 HG22 ILE A 53 21.171 -32.531 -11.597 1.00 0.00 H new ATOM 0 HG23 ILE A 53 20.496 -32.947 -10.004 1.00 0.00 H new ATOM 0 HD11 ILE A 53 23.556 -32.148 -7.165 1.00 0.00 H new ATOM 0 HD12 ILE A 53 24.230 -31.748 -8.763 1.00 0.00 H new ATOM 0 HD13 ILE A 53 22.536 -31.353 -8.387 1.00 0.00 H new ATOM 810 N GLY A 54 23.978 -36.286 -9.683 1.00 0.00 N ATOM 811 CA GLY A 54 25.217 -37.040 -9.626 1.00 0.00 C ATOM 812 C GLY A 54 25.799 -37.094 -8.227 1.00 0.00 C ATOM 813 O GLY A 54 26.398 -38.096 -7.834 1.00 0.00 O ATOM 0 H GLY A 54 23.420 -36.314 -8.830 1.00 0.00 H new ATOM 0 HA2 GLY A 54 25.038 -38.055 -9.981 1.00 0.00 H new ATOM 0 HA3 GLY A 54 25.944 -36.590 -10.302 1.00 0.00 H new ATOM 817 N VAL A 55 25.624 -36.014 -7.473 1.00 0.00 N ATOM 818 CA VAL A 55 26.137 -35.942 -6.110 1.00 0.00 C ATOM 819 C VAL A 55 25.580 -37.074 -5.253 1.00 0.00 C ATOM 820 O VAL A 55 24.367 -37.198 -5.082 1.00 0.00 O ATOM 821 CB VAL A 55 25.790 -34.595 -5.450 1.00 0.00 C ATOM 822 CG1 VAL A 55 26.496 -34.459 -4.109 1.00 0.00 C ATOM 823 CG2 VAL A 55 26.153 -33.441 -6.372 1.00 0.00 C ATOM 0 H VAL A 55 25.131 -35.177 -7.783 1.00 0.00 H new ATOM 0 HA VAL A 55 27.221 -36.038 -6.174 1.00 0.00 H new ATOM 0 HB VAL A 55 24.715 -34.564 -5.272 1.00 0.00 H new ATOM 0 HG11 VAL A 55 26.239 -33.501 -3.658 1.00 0.00 H new ATOM 0 HG12 VAL A 55 26.182 -35.267 -3.449 1.00 0.00 H new ATOM 0 HG13 VAL A 55 27.574 -34.511 -4.259 1.00 0.00 H new ATOM 0 HG21 VAL A 55 25.901 -32.497 -5.890 1.00 0.00 H new ATOM 0 HG22 VAL A 55 27.222 -33.467 -6.583 1.00 0.00 H new ATOM 0 HG23 VAL A 55 25.597 -33.532 -7.305 1.00 0.00 H new ATOM 833 N ARG A 56 26.475 -37.897 -4.715 1.00 0.00 N ATOM 834 CA ARG A 56 26.073 -39.019 -3.876 1.00 0.00 C ATOM 835 C ARG A 56 26.650 -38.881 -2.470 1.00 0.00 C ATOM 836 O ARG A 56 26.236 -39.582 -1.546 1.00 0.00 O ATOM 837 CB ARG A 56 26.531 -40.339 -4.499 1.00 0.00 C ATOM 838 CG ARG A 56 28.021 -40.599 -4.348 1.00 0.00 C ATOM 839 CD ARG A 56 28.289 -41.781 -3.428 1.00 0.00 C ATOM 840 NE ARG A 56 28.685 -42.974 -4.171 1.00 0.00 N ATOM 841 CZ ARG A 56 29.910 -43.172 -4.646 1.00 0.00 C ATOM 842 NH1 ARG A 56 30.853 -42.260 -4.455 1.00 0.00 N ATOM 843 NH2 ARG A 56 30.193 -44.284 -5.312 1.00 0.00 N ATOM 0 H ARG A 56 27.483 -37.807 -4.845 1.00 0.00 H new ATOM 0 HA ARG A 56 24.985 -39.016 -3.806 1.00 0.00 H new ATOM 0 HB2 ARG A 56 25.979 -41.159 -4.039 1.00 0.00 H new ATOM 0 HB3 ARG A 56 26.276 -40.338 -5.559 1.00 0.00 H new ATOM 0 HG2 ARG A 56 28.459 -40.792 -5.327 1.00 0.00 H new ATOM 0 HG3 ARG A 56 28.509 -39.709 -3.950 1.00 0.00 H new ATOM 0 HD2 ARG A 56 29.074 -41.518 -2.719 1.00 0.00 H new ATOM 0 HD3 ARG A 56 27.393 -41.997 -2.846 1.00 0.00 H new ATOM 0 HE ARG A 56 27.982 -43.695 -4.334 1.00 0.00 H new ATOM 0 HH11 ARG A 56 30.639 -41.404 -3.943 1.00 0.00 H new ATOM 0 HH12 ARG A 56 31.793 -42.414 -4.820 1.00 0.00 H new ATOM 0 HH21 ARG A 56 29.470 -44.988 -5.460 1.00 0.00 H new ATOM 0 HH22 ARG A 56 31.134 -44.435 -5.676 1.00 0.00 H new ATOM 857 N LEU A 57 27.608 -37.973 -2.316 1.00 0.00 N ATOM 858 CA LEU A 57 28.243 -37.743 -1.023 1.00 0.00 C ATOM 859 C LEU A 57 27.336 -36.924 -0.110 1.00 0.00 C ATOM 860 O LEU A 57 26.468 -36.178 -0.563 1.00 0.00 O ATOM 861 CB LEU A 57 29.580 -37.025 -1.211 1.00 0.00 C ATOM 862 CG LEU A 57 30.746 -37.890 -1.690 1.00 0.00 C ATOM 863 CD1 LEU A 57 31.943 -37.024 -2.047 1.00 0.00 C ATOM 864 CD2 LEU A 57 31.123 -38.912 -0.627 1.00 0.00 C ATOM 0 H LEU A 57 27.962 -37.384 -3.070 1.00 0.00 H new ATOM 0 HA LEU A 57 28.420 -38.711 -0.554 1.00 0.00 H new ATOM 0 HB2 LEU A 57 29.437 -36.215 -1.926 1.00 0.00 H new ATOM 0 HB3 LEU A 57 29.860 -36.567 -0.262 1.00 0.00 H new ATOM 0 HG LEU A 57 30.432 -38.425 -2.586 1.00 0.00 H new ATOM 0 HD11 LEU A 57 32.763 -37.658 -2.386 1.00 0.00 H new ATOM 0 HD12 LEU A 57 31.667 -36.332 -2.842 1.00 0.00 H new ATOM 0 HD13 LEU A 57 32.259 -36.460 -1.169 1.00 0.00 H new ATOM 0 HD21 LEU A 57 31.955 -39.519 -0.985 1.00 0.00 H new ATOM 0 HD22 LEU A 57 31.418 -38.395 0.286 1.00 0.00 H new ATOM 0 HD23 LEU A 57 30.267 -39.555 -0.420 1.00 0.00 H new ATOM 876 N PRO A 58 27.543 -37.063 1.208 1.00 0.00 N ATOM 877 CA PRO A 58 26.756 -36.342 2.213 1.00 0.00 C ATOM 878 C PRO A 58 27.059 -34.848 2.224 1.00 0.00 C ATOM 879 O PRO A 58 26.149 -34.020 2.200 1.00 0.00 O ATOM 880 CB PRO A 58 27.191 -36.985 3.532 1.00 0.00 C ATOM 881 CG PRO A 58 28.556 -37.516 3.263 1.00 0.00 C ATOM 882 CD PRO A 58 28.561 -37.934 1.819 1.00 0.00 C ATOM 0 HA PRO A 58 25.686 -36.413 2.020 1.00 0.00 H new ATOM 0 HB2 PRO A 58 27.202 -36.256 4.343 1.00 0.00 H new ATOM 0 HB3 PRO A 58 26.508 -37.781 3.828 1.00 0.00 H new ATOM 0 HG2 PRO A 58 29.314 -36.756 3.452 1.00 0.00 H new ATOM 0 HG3 PRO A 58 28.782 -38.360 3.914 1.00 0.00 H new ATOM 0 HD2 PRO A 58 29.540 -37.789 1.362 1.00 0.00 H new ATOM 0 HD3 PRO A 58 28.309 -38.988 1.705 1.00 0.00 H new ATOM 890 N GLY A 59 28.345 -34.509 2.259 1.00 0.00 N ATOM 891 CA GLY A 59 28.744 -33.114 2.272 1.00 0.00 C ATOM 892 C GLY A 59 28.388 -32.397 0.985 1.00 0.00 C ATOM 893 O GLY A 59 27.731 -31.356 1.007 1.00 0.00 O ATOM 0 H GLY A 59 29.117 -35.176 2.279 1.00 0.00 H new ATOM 0 HA2 GLY A 59 28.263 -32.610 3.110 1.00 0.00 H new ATOM 0 HA3 GLY A 59 29.820 -33.049 2.435 1.00 0.00 H new ATOM 897 N HIS A 60 28.824 -32.954 -0.141 1.00 0.00 N ATOM 898 CA HIS A 60 28.549 -32.360 -1.444 1.00 0.00 C ATOM 899 C HIS A 60 27.058 -32.081 -1.610 1.00 0.00 C ATOM 900 O HIS A 60 26.666 -31.152 -2.316 1.00 0.00 O ATOM 901 CB HIS A 60 29.033 -33.284 -2.562 1.00 0.00 C ATOM 902 CG HIS A 60 30.522 -33.440 -2.607 1.00 0.00 C ATOM 903 ND1 HIS A 60 31.180 -34.092 -3.628 1.00 0.00 N ATOM 904 CD2 HIS A 60 31.482 -33.022 -1.749 1.00 0.00 C ATOM 905 CE1 HIS A 60 32.481 -34.070 -3.395 1.00 0.00 C ATOM 906 NE2 HIS A 60 32.691 -33.426 -2.262 1.00 0.00 N ATOM 0 H HIS A 60 29.369 -33.815 -0.177 1.00 0.00 H new ATOM 0 HA HIS A 60 29.088 -31.414 -1.505 1.00 0.00 H new ATOM 0 HB2 HIS A 60 28.577 -34.266 -2.434 1.00 0.00 H new ATOM 0 HB3 HIS A 60 28.688 -32.894 -3.520 1.00 0.00 H new ATOM 0 HD2 HIS A 60 31.327 -32.473 -0.832 1.00 0.00 H new ATOM 0 HE1 HIS A 60 33.243 -34.505 -4.025 1.00 0.00 H new ATOM 0 HE2 HIS A 60 33.602 -33.256 -1.837 1.00 0.00 H new ATOM 914 N GLN A 61 26.233 -32.891 -0.955 1.00 0.00 N ATOM 915 CA GLN A 61 24.785 -32.732 -1.031 1.00 0.00 C ATOM 916 C GLN A 61 24.331 -31.505 -0.247 1.00 0.00 C ATOM 917 O GLN A 61 23.746 -30.578 -0.807 1.00 0.00 O ATOM 918 CB GLN A 61 24.084 -33.982 -0.498 1.00 0.00 C ATOM 919 CG GLN A 61 23.851 -35.047 -1.557 1.00 0.00 C ATOM 920 CD GLN A 61 23.102 -36.251 -1.020 1.00 0.00 C ATOM 921 OE1 GLN A 61 23.498 -37.439 -1.459 1.00 0.00 O flip ATOM 922 NE2 GLN A 61 22.178 -36.114 -0.218 1.00 0.00 N flip ATOM 0 H GLN A 61 26.542 -33.664 -0.366 1.00 0.00 H new ATOM 0 HA GLN A 61 24.514 -32.592 -2.078 1.00 0.00 H new ATOM 0 HB2 GLN A 61 24.682 -34.408 0.308 1.00 0.00 H new ATOM 0 HB3 GLN A 61 23.125 -33.695 -0.067 1.00 0.00 H new ATOM 0 HG2 GLN A 61 23.289 -34.614 -2.385 1.00 0.00 H new ATOM 0 HG3 GLN A 61 24.811 -35.371 -1.958 1.00 0.00 H new ATOM 0 HE21 GLN A 61 21.907 -35.181 0.093 1.00 0.00 H new ATOM 0 HE22 GLN A 61 21.684 -36.933 0.136 1.00 0.00 H new ATOM 931 N LYS A 62 24.603 -31.507 1.054 1.00 0.00 N ATOM 932 CA LYS A 62 24.223 -30.395 1.917 1.00 0.00 C ATOM 933 C LYS A 62 24.832 -29.088 1.420 1.00 0.00 C ATOM 934 O LYS A 62 24.200 -28.033 1.485 1.00 0.00 O ATOM 935 CB LYS A 62 24.670 -30.664 3.356 1.00 0.00 C ATOM 936 CG LYS A 62 23.971 -31.850 3.998 1.00 0.00 C ATOM 937 CD LYS A 62 23.643 -31.580 5.457 1.00 0.00 C ATOM 938 CE LYS A 62 24.802 -31.954 6.368 1.00 0.00 C ATOM 939 NZ LYS A 62 24.447 -33.069 7.288 1.00 0.00 N ATOM 0 H LYS A 62 25.085 -32.267 1.534 1.00 0.00 H new ATOM 0 HA LYS A 62 23.137 -30.302 1.892 1.00 0.00 H new ATOM 0 HB2 LYS A 62 25.746 -30.838 3.367 1.00 0.00 H new ATOM 0 HB3 LYS A 62 24.484 -29.774 3.958 1.00 0.00 H new ATOM 0 HG2 LYS A 62 23.054 -32.072 3.453 1.00 0.00 H new ATOM 0 HG3 LYS A 62 24.607 -32.732 3.924 1.00 0.00 H new ATOM 0 HD2 LYS A 62 23.402 -30.525 5.588 1.00 0.00 H new ATOM 0 HD3 LYS A 62 22.757 -32.147 5.743 1.00 0.00 H new ATOM 0 HE2 LYS A 62 25.661 -32.242 5.763 1.00 0.00 H new ATOM 0 HE3 LYS A 62 25.101 -31.083 6.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 25.263 -33.294 7.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 23.643 -32.785 7.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 24.186 -33.908 6.732 1.00 0.00 H new ATOM 953 N ARG A 63 26.062 -29.165 0.923 1.00 0.00 N ATOM 954 CA ARG A 63 26.756 -27.988 0.414 1.00 0.00 C ATOM 955 C ARG A 63 25.917 -27.277 -0.644 1.00 0.00 C ATOM 956 O ARG A 63 25.931 -26.049 -0.739 1.00 0.00 O ATOM 957 CB ARG A 63 28.111 -28.383 -0.175 1.00 0.00 C ATOM 958 CG ARG A 63 29.060 -27.210 -0.360 1.00 0.00 C ATOM 959 CD ARG A 63 30.471 -27.559 0.088 1.00 0.00 C ATOM 960 NE ARG A 63 31.211 -26.381 0.532 1.00 0.00 N ATOM 961 CZ ARG A 63 32.462 -26.424 0.977 1.00 0.00 C ATOM 962 NH1 ARG A 63 33.109 -27.580 1.036 1.00 0.00 N ATOM 963 NH2 ARG A 63 33.069 -25.309 1.363 1.00 0.00 N ATOM 0 H ARG A 63 26.599 -30.030 0.862 1.00 0.00 H new ATOM 0 HA ARG A 63 26.916 -27.303 1.247 1.00 0.00 H new ATOM 0 HB2 ARG A 63 28.580 -29.120 0.477 1.00 0.00 H new ATOM 0 HB3 ARG A 63 27.952 -28.866 -1.139 1.00 0.00 H new ATOM 0 HG2 ARG A 63 29.073 -26.913 -1.409 1.00 0.00 H new ATOM 0 HG3 ARG A 63 28.698 -26.354 0.209 1.00 0.00 H new ATOM 0 HD2 ARG A 63 30.425 -28.285 0.900 1.00 0.00 H new ATOM 0 HD3 ARG A 63 31.005 -28.034 -0.735 1.00 0.00 H new ATOM 0 HE ARG A 63 30.742 -25.476 0.499 1.00 0.00 H new ATOM 0 HH11 ARG A 63 32.646 -28.439 0.739 1.00 0.00 H new ATOM 0 HH12 ARG A 63 34.069 -27.610 1.378 1.00 0.00 H new ATOM 0 HH21 ARG A 63 32.575 -24.418 1.318 1.00 0.00 H new ATOM 0 HH22 ARG A 63 34.030 -25.343 1.705 1.00 0.00 H new ATOM 977 N ILE A 64 25.189 -28.056 -1.436 1.00 0.00 N ATOM 978 CA ILE A 64 24.344 -27.501 -2.486 1.00 0.00 C ATOM 979 C ILE A 64 22.944 -27.200 -1.963 1.00 0.00 C ATOM 980 O ILE A 64 22.403 -26.119 -2.195 1.00 0.00 O ATOM 981 CB ILE A 64 24.236 -28.460 -3.687 1.00 0.00 C ATOM 982 CG1 ILE A 64 25.624 -28.755 -4.258 1.00 0.00 C ATOM 983 CG2 ILE A 64 23.332 -27.867 -4.758 1.00 0.00 C ATOM 984 CD1 ILE A 64 25.604 -29.704 -5.436 1.00 0.00 C ATOM 0 H ILE A 64 25.167 -29.074 -1.371 1.00 0.00 H new ATOM 0 HA ILE A 64 24.814 -26.574 -2.813 1.00 0.00 H new ATOM 0 HB ILE A 64 23.797 -29.398 -3.346 1.00 0.00 H new ATOM 0 HG12 ILE A 64 26.088 -27.818 -4.565 1.00 0.00 H new ATOM 0 HG13 ILE A 64 26.249 -29.178 -3.472 1.00 0.00 H new ATOM 0 HG21 ILE A 64 23.265 -28.556 -5.600 1.00 0.00 H new ATOM 0 HG22 ILE A 64 22.337 -27.703 -4.344 1.00 0.00 H new ATOM 0 HG23 ILE A 64 23.745 -26.917 -5.098 1.00 0.00 H new ATOM 0 HD11 ILE A 64 26.622 -29.867 -5.789 1.00 0.00 H new ATOM 0 HD12 ILE A 64 25.169 -30.655 -5.129 1.00 0.00 H new ATOM 0 HD13 ILE A 64 25.006 -29.274 -6.240 1.00 0.00 H new ATOM 996 N ALA A 65 22.363 -28.162 -1.254 1.00 0.00 N ATOM 997 CA ALA A 65 21.027 -27.998 -0.694 1.00 0.00 C ATOM 998 C ALA A 65 20.941 -26.738 0.161 1.00 0.00 C ATOM 999 O ALA A 65 19.982 -25.972 0.060 1.00 0.00 O ATOM 1000 CB ALA A 65 20.645 -29.221 0.126 1.00 0.00 C ATOM 0 H ALA A 65 22.797 -29.063 -1.054 1.00 0.00 H new ATOM 0 HA ALA A 65 20.324 -27.894 -1.520 1.00 0.00 H new ATOM 0 HB1 ALA A 65 19.645 -29.085 0.538 1.00 0.00 H new ATOM 0 HB2 ALA A 65 20.657 -30.105 -0.512 1.00 0.00 H new ATOM 0 HB3 ALA A 65 21.358 -29.351 0.940 1.00 0.00 H new ATOM 1006 N TYR A 66 21.948 -26.529 1.002 1.00 0.00 N ATOM 1007 CA TYR A 66 21.984 -25.363 1.876 1.00 0.00 C ATOM 1008 C TYR A 66 22.053 -24.074 1.063 1.00 0.00 C ATOM 1009 O TYR A 66 21.526 -23.040 1.472 1.00 0.00 O ATOM 1010 CB TYR A 66 23.181 -25.447 2.824 1.00 0.00 C ATOM 1011 CG TYR A 66 23.047 -24.571 4.049 1.00 0.00 C ATOM 1012 CD1 TYR A 66 21.884 -24.583 4.811 1.00 0.00 C ATOM 1013 CD2 TYR A 66 24.080 -23.732 4.445 1.00 0.00 C ATOM 1014 CE1 TYR A 66 21.756 -23.785 5.931 1.00 0.00 C ATOM 1015 CE2 TYR A 66 23.962 -22.931 5.564 1.00 0.00 C ATOM 1016 CZ TYR A 66 22.798 -22.961 6.304 1.00 0.00 C ATOM 1017 OH TYR A 66 22.675 -22.163 7.418 1.00 0.00 O ATOM 0 H TYR A 66 22.750 -27.152 1.097 1.00 0.00 H new ATOM 0 HA TYR A 66 21.065 -25.352 2.462 1.00 0.00 H new ATOM 0 HB2 TYR A 66 23.311 -26.482 3.140 1.00 0.00 H new ATOM 0 HB3 TYR A 66 24.083 -25.164 2.282 1.00 0.00 H new ATOM 0 HD1 TYR A 66 21.067 -25.227 4.522 1.00 0.00 H new ATOM 0 HD2 TYR A 66 24.992 -23.705 3.868 1.00 0.00 H new ATOM 0 HE1 TYR A 66 20.846 -23.806 6.512 1.00 0.00 H new ATOM 0 HE2 TYR A 66 24.776 -22.285 5.858 1.00 0.00 H new ATOM 0 HH TYR A 66 23.498 -21.645 7.542 1.00 0.00 H new ATOM 1027 N SER A 67 22.708 -24.145 -0.092 1.00 0.00 N ATOM 1028 CA SER A 67 22.850 -22.984 -0.963 1.00 0.00 C ATOM 1029 C SER A 67 21.544 -22.690 -1.694 1.00 0.00 C ATOM 1030 O SER A 67 21.275 -21.550 -2.074 1.00 0.00 O ATOM 1031 CB SER A 67 23.974 -23.215 -1.975 1.00 0.00 C ATOM 1032 OG SER A 67 24.967 -22.209 -1.871 1.00 0.00 O ATOM 0 H SER A 67 23.148 -24.994 -0.446 1.00 0.00 H new ATOM 0 HA SER A 67 23.100 -22.123 -0.343 1.00 0.00 H new ATOM 0 HB2 SER A 67 24.424 -24.194 -1.807 1.00 0.00 H new ATOM 0 HB3 SER A 67 23.563 -23.222 -2.985 1.00 0.00 H new ATOM 0 HG SER A 67 24.986 -21.681 -2.697 1.00 0.00 H new ATOM 1038 N LEU A 68 20.736 -23.727 -1.888 1.00 0.00 N ATOM 1039 CA LEU A 68 19.457 -23.581 -2.574 1.00 0.00 C ATOM 1040 C LEU A 68 18.495 -22.726 -1.757 1.00 0.00 C ATOM 1041 O LEU A 68 17.690 -21.975 -2.311 1.00 0.00 O ATOM 1042 CB LEU A 68 18.838 -24.955 -2.837 1.00 0.00 C ATOM 1043 CG LEU A 68 19.477 -25.776 -3.958 1.00 0.00 C ATOM 1044 CD1 LEU A 68 18.789 -27.126 -4.091 1.00 0.00 C ATOM 1045 CD2 LEU A 68 19.422 -25.015 -5.275 1.00 0.00 C ATOM 0 H LEU A 68 20.944 -24.677 -1.580 1.00 0.00 H new ATOM 0 HA LEU A 68 19.638 -23.082 -3.526 1.00 0.00 H new ATOM 0 HB2 LEU A 68 18.887 -25.536 -1.916 1.00 0.00 H new ATOM 0 HB3 LEU A 68 17.782 -24.817 -3.071 1.00 0.00 H new ATOM 0 HG LEU A 68 20.523 -25.948 -3.704 1.00 0.00 H new ATOM 0 HD11 LEU A 68 19.258 -27.696 -4.894 1.00 0.00 H new ATOM 0 HD12 LEU A 68 18.882 -27.675 -3.154 1.00 0.00 H new ATOM 0 HD13 LEU A 68 17.734 -26.976 -4.321 1.00 0.00 H new ATOM 0 HD21 LEU A 68 19.881 -25.614 -6.061 1.00 0.00 H new ATOM 0 HD22 LEU A 68 18.383 -24.811 -5.534 1.00 0.00 H new ATOM 0 HD23 LEU A 68 19.962 -24.074 -5.174 1.00 0.00 H new ATOM 1057 N LEU A 69 18.584 -22.842 -0.436 1.00 0.00 N ATOM 1058 CA LEU A 69 17.723 -22.077 0.459 1.00 0.00 C ATOM 1059 C LEU A 69 17.829 -20.582 0.171 1.00 0.00 C ATOM 1060 O LEU A 69 16.827 -19.868 0.168 1.00 0.00 O ATOM 1061 CB LEU A 69 18.094 -22.354 1.916 1.00 0.00 C ATOM 1062 CG LEU A 69 18.292 -23.824 2.290 1.00 0.00 C ATOM 1063 CD1 LEU A 69 18.583 -23.962 3.777 1.00 0.00 C ATOM 1064 CD2 LEU A 69 17.067 -24.641 1.907 1.00 0.00 C ATOM 0 H LEU A 69 19.244 -23.458 0.039 1.00 0.00 H new ATOM 0 HA LEU A 69 16.693 -22.390 0.287 1.00 0.00 H new ATOM 0 HB2 LEU A 69 19.013 -21.815 2.145 1.00 0.00 H new ATOM 0 HB3 LEU A 69 17.314 -21.939 2.554 1.00 0.00 H new ATOM 0 HG LEU A 69 19.148 -24.208 1.736 1.00 0.00 H new ATOM 0 HD11 LEU A 69 18.721 -25.015 4.025 1.00 0.00 H new ATOM 0 HD12 LEU A 69 19.490 -23.409 4.023 1.00 0.00 H new ATOM 0 HD13 LEU A 69 17.747 -23.561 4.350 1.00 0.00 H new ATOM 0 HD21 LEU A 69 17.225 -25.684 2.180 1.00 0.00 H new ATOM 0 HD22 LEU A 69 16.194 -24.256 2.434 1.00 0.00 H new ATOM 0 HD23 LEU A 69 16.903 -24.569 0.832 1.00 0.00 H new ATOM 1076 N GLY A 70 19.050 -20.117 -0.073 1.00 0.00 N ATOM 1077 CA GLY A 70 19.264 -18.711 -0.361 1.00 0.00 C ATOM 1078 C GLY A 70 18.764 -18.318 -1.737 1.00 0.00 C ATOM 1079 O GLY A 70 18.370 -17.172 -1.959 1.00 0.00 O ATOM 0 H GLY A 70 19.895 -20.689 -0.076 1.00 0.00 H new ATOM 0 HA2 GLY A 70 18.757 -18.108 0.392 1.00 0.00 H new ATOM 0 HA3 GLY A 70 20.328 -18.486 -0.287 1.00 0.00 H new ATOM 1083 N LEU A 71 18.782 -19.269 -2.665 1.00 0.00 N ATOM 1084 CA LEU A 71 18.329 -19.016 -4.028 1.00 0.00 C ATOM 1085 C LEU A 71 16.827 -18.748 -4.062 1.00 0.00 C ATOM 1086 O LEU A 71 16.383 -17.702 -4.536 1.00 0.00 O ATOM 1087 CB LEU A 71 18.666 -20.207 -4.927 1.00 0.00 C ATOM 1088 CG LEU A 71 20.153 -20.517 -5.101 1.00 0.00 C ATOM 1089 CD1 LEU A 71 20.347 -21.687 -6.053 1.00 0.00 C ATOM 1090 CD2 LEU A 71 20.898 -19.289 -5.604 1.00 0.00 C ATOM 0 H LEU A 71 19.105 -20.222 -2.498 1.00 0.00 H new ATOM 0 HA LEU A 71 18.846 -18.131 -4.398 1.00 0.00 H new ATOM 0 HB2 LEU A 71 18.176 -21.092 -4.522 1.00 0.00 H new ATOM 0 HB3 LEU A 71 18.235 -20.026 -5.912 1.00 0.00 H new ATOM 0 HG LEU A 71 20.563 -20.794 -4.130 1.00 0.00 H new ATOM 0 HD11 LEU A 71 21.412 -21.893 -6.164 1.00 0.00 H new ATOM 0 HD12 LEU A 71 19.847 -22.569 -5.652 1.00 0.00 H new ATOM 0 HD13 LEU A 71 19.922 -21.439 -7.026 1.00 0.00 H new ATOM 0 HD21 LEU A 71 21.955 -19.528 -5.722 1.00 0.00 H new ATOM 0 HD22 LEU A 71 20.486 -18.982 -6.565 1.00 0.00 H new ATOM 0 HD23 LEU A 71 20.788 -18.477 -4.885 1.00 0.00 H new ATOM 1102 N LYS A 72 16.050 -19.699 -3.554 1.00 0.00 N ATOM 1103 CA LYS A 72 14.599 -19.565 -3.522 1.00 0.00 C ATOM 1104 C LYS A 72 14.182 -18.352 -2.696 1.00 0.00 C ATOM 1105 O LYS A 72 13.126 -17.764 -2.928 1.00 0.00 O ATOM 1106 CB LYS A 72 13.962 -20.831 -2.945 1.00 0.00 C ATOM 1107 CG LYS A 72 14.384 -22.104 -3.659 1.00 0.00 C ATOM 1108 CD LYS A 72 14.050 -23.340 -2.841 1.00 0.00 C ATOM 1109 CE LYS A 72 15.243 -24.277 -2.736 1.00 0.00 C ATOM 1110 NZ LYS A 72 14.823 -25.705 -2.679 1.00 0.00 N ATOM 0 H LYS A 72 16.402 -20.571 -3.159 1.00 0.00 H new ATOM 0 HA LYS A 72 14.250 -19.423 -4.545 1.00 0.00 H new ATOM 0 HB2 LYS A 72 14.225 -20.912 -1.890 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.877 -20.738 -2.997 1.00 0.00 H new ATOM 0 HG2 LYS A 72 13.886 -22.162 -4.627 1.00 0.00 H new ATOM 0 HG3 LYS A 72 15.456 -22.074 -3.854 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.731 -23.042 -1.842 1.00 0.00 H new ATOM 0 HD3 LYS A 72 13.212 -23.866 -3.299 1.00 0.00 H new ATOM 0 HE2 LYS A 72 15.900 -24.126 -3.592 1.00 0.00 H new ATOM 0 HE3 LYS A 72 15.820 -24.032 -1.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 15.665 -26.312 -2.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.216 -25.856 -1.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.294 -25.946 -3.542 1.00 0.00 H new