USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 550 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 38 TYR OH : rot 165:sc= 0 USER MOD Set 1.2: A 39 GLN : amide:sc= -4.71! C(o=-6.3!,f=-9.2!) USER MOD Set 1.3: A 84 GLN : amide:sc= -1.59 K(o=-6.3,f=-5.6) USER MOD Set 2.1: A 57 MET CE :methyl 148:sc= -0.517 (180deg=-2.77!) USER MOD Set 2.2: A 65 CYS SG : rot -51:sc= 0.74 USER MOD Set 3.1: A 25 GLN : amide:sc= -0.225 K(o=0.48,f=-0.54!) USER MOD Set 3.2: A 63 CYS SG : rot -16:sc= 0.71 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -2.12 K(o=-2.1,f=-3.3!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 171:sc= -0.0079 (180deg=-0.108) USER MOD Single : A 43 ASN : amide:sc= -0.734 K(o=-0.73,f=-0.16) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot -30:sc= -0.592 USER MOD Single : A 48 SER OG : rot 131:sc= 0.383 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 20:sc= -0.0322 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.0979 K(o=-0.098,f=-2!) USER MOD Single : A 80 GLN : amide:sc= -0.273 X(o=-0.27,f=-0.27) USER MOD Single : A 82 HIS : no HD1:sc= -0.533 K(o=-0.53,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 203 N ALA A 17 -3.869 11.622 27.221 1.00 0.00 N ATOM 204 CA ALA A 17 -4.273 12.723 26.356 1.00 0.00 C ATOM 205 C ALA A 17 -4.723 13.928 27.175 1.00 0.00 C ATOM 206 O ALA A 17 -5.450 13.785 28.159 1.00 0.00 O ATOM 207 CB ALA A 17 -5.383 12.277 25.415 1.00 0.00 C ATOM 0 HA ALA A 17 -3.409 13.022 25.763 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.674 13.110 24.775 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.027 11.452 24.797 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.244 11.949 25.998 1.00 0.00 H new ATOM 213 N SER A 18 -4.287 15.114 26.763 1.00 0.00 N ATOM 214 CA SER A 18 -4.643 16.344 27.462 1.00 0.00 C ATOM 215 C SER A 18 -6.152 16.564 27.441 1.00 0.00 C ATOM 216 O SER A 18 -6.690 17.331 28.240 1.00 0.00 O ATOM 217 CB SER A 18 -3.933 17.540 26.826 1.00 0.00 C ATOM 218 OG SER A 18 -4.323 17.705 25.474 1.00 0.00 O ATOM 0 H SER A 18 -3.687 15.250 25.949 1.00 0.00 H new ATOM 0 HA SER A 18 -4.322 16.249 28.499 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.165 18.445 27.388 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.854 17.398 26.882 1.00 0.00 H new ATOM 0 HG SER A 18 -3.856 18.477 25.091 1.00 0.00 H new ATOM 224 N TRP A 19 -6.830 15.885 26.522 1.00 0.00 N ATOM 225 CA TRP A 19 -8.278 16.006 26.396 1.00 0.00 C ATOM 226 C TRP A 19 -8.971 14.719 26.832 1.00 0.00 C ATOM 227 O TRP A 19 -10.137 14.490 26.506 1.00 0.00 O ATOM 228 CB TRP A 19 -8.658 16.342 24.954 1.00 0.00 C ATOM 229 CG TRP A 19 -7.921 15.522 23.938 1.00 0.00 C ATOM 230 CD1 TRP A 19 -6.751 15.849 23.314 1.00 0.00 C ATOM 231 CD2 TRP A 19 -8.306 14.241 23.428 1.00 0.00 C ATOM 232 NE1 TRP A 19 -6.386 14.847 22.447 1.00 0.00 N ATOM 233 CE2 TRP A 19 -7.323 13.850 22.499 1.00 0.00 C ATOM 234 CE3 TRP A 19 -9.385 13.385 23.668 1.00 0.00 C ATOM 235 CZ2 TRP A 19 -7.388 12.641 21.811 1.00 0.00 C ATOM 236 CZ3 TRP A 19 -9.449 12.187 22.983 1.00 0.00 C ATOM 237 CH2 TRP A 19 -8.455 11.823 22.064 1.00 0.00 C ATOM 0 H TRP A 19 -6.400 15.245 25.854 1.00 0.00 H new ATOM 0 HA TRP A 19 -8.609 16.814 27.049 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -9.730 16.191 24.824 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -8.460 17.398 24.771 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -6.195 16.760 23.478 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -5.552 14.846 21.860 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -10.154 13.655 24.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -6.623 12.359 21.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -10.279 11.519 23.159 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -8.533 10.879 21.546 1.00 0.00 H new ATOM 248 N LEU A 20 -8.248 13.883 27.569 1.00 0.00 N ATOM 249 CA LEU A 20 -8.795 12.619 28.049 1.00 0.00 C ATOM 250 C LEU A 20 -9.047 12.671 29.552 1.00 0.00 C ATOM 251 O LEU A 20 -8.128 12.897 30.339 1.00 0.00 O ATOM 252 CB LEU A 20 -7.840 11.470 27.720 1.00 0.00 C ATOM 253 CG LEU A 20 -8.231 10.593 26.530 1.00 0.00 C ATOM 254 CD1 LEU A 20 -7.191 9.507 26.303 1.00 0.00 C ATOM 255 CD2 LEU A 20 -9.606 9.979 26.748 1.00 0.00 C ATOM 0 H LEU A 20 -7.282 14.058 27.847 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.746 12.448 27.545 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -6.852 11.889 27.528 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.751 10.834 28.601 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.272 11.220 25.640 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.486 8.893 25.452 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.223 9.966 26.101 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.117 8.882 27.193 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -9.867 9.358 25.891 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -9.592 9.366 27.649 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -10.345 10.772 26.860 1.00 0.00 H new ATOM 267 N GLY A 21 -10.299 12.457 29.945 1.00 0.00 N ATOM 268 CA GLY A 21 -10.649 12.482 31.354 1.00 0.00 C ATOM 269 C GLY A 21 -11.553 13.646 31.706 1.00 0.00 C ATOM 270 O GLY A 21 -12.213 13.635 32.744 1.00 0.00 O ATOM 0 H GLY A 21 -11.077 12.267 29.313 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -11.145 11.548 31.619 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -9.738 12.540 31.950 1.00 0.00 H new ATOM 274 N GLU A 22 -11.582 14.654 30.840 1.00 0.00 N ATOM 275 CA GLU A 22 -12.410 15.833 31.067 1.00 0.00 C ATOM 276 C GLU A 22 -13.383 16.045 29.911 1.00 0.00 C ATOM 277 O GLU A 22 -13.047 15.803 28.752 1.00 0.00 O ATOM 278 CB GLU A 22 -11.532 17.074 31.244 1.00 0.00 C ATOM 279 CG GLU A 22 -12.274 18.266 31.824 1.00 0.00 C ATOM 280 CD GLU A 22 -12.750 18.023 33.243 1.00 0.00 C ATOM 281 OE1 GLU A 22 -11.893 17.875 34.139 1.00 0.00 O ATOM 282 OE2 GLU A 22 -13.980 17.981 33.458 1.00 0.00 O ATOM 0 H GLU A 22 -11.042 14.678 29.975 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.986 15.671 31.978 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.694 16.826 31.896 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.113 17.353 30.277 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.621 19.138 31.808 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.131 18.498 31.192 1.00 0.00 H new ATOM 289 N GLN A 23 -14.589 16.499 30.236 1.00 0.00 N ATOM 290 CA GLN A 23 -15.611 16.743 29.226 1.00 0.00 C ATOM 291 C GLN A 23 -15.135 17.774 28.207 1.00 0.00 C ATOM 292 O GLN A 23 -14.207 18.544 28.455 1.00 0.00 O ATOM 293 CB GLN A 23 -16.906 17.220 29.884 1.00 0.00 C ATOM 294 CG GLN A 23 -17.826 16.087 30.309 1.00 0.00 C ATOM 295 CD GLN A 23 -19.023 16.573 31.103 1.00 0.00 C ATOM 296 OE1 GLN A 23 -19.478 17.704 30.932 1.00 0.00 O ATOM 297 NE2 GLN A 23 -19.540 15.718 31.978 1.00 0.00 N ATOM 0 H GLN A 23 -14.882 16.705 31.191 1.00 0.00 H new ATOM 0 HA GLN A 23 -15.801 15.805 28.705 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -16.659 17.823 30.758 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -17.439 17.869 29.189 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -18.174 15.555 29.423 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -17.263 15.372 30.909 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -19.131 14.790 32.087 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -20.346 15.989 32.541 1.00 0.00 H new ATOM 306 N PRO A 24 -15.783 17.790 27.033 1.00 0.00 N ATOM 307 CA PRO A 24 -15.443 18.722 25.954 1.00 0.00 C ATOM 308 C PRO A 24 -15.817 20.161 26.291 1.00 0.00 C ATOM 309 O PRO A 24 -15.459 21.090 25.567 1.00 0.00 O ATOM 310 CB PRO A 24 -16.276 18.216 24.773 1.00 0.00 C ATOM 311 CG PRO A 24 -17.427 17.505 25.398 1.00 0.00 C ATOM 312 CD PRO A 24 -16.899 16.900 26.669 1.00 0.00 C ATOM 0 HA PRO A 24 -14.371 18.746 25.759 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -16.614 19.040 24.145 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -15.696 17.547 24.137 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -18.246 18.194 25.605 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -17.818 16.735 24.733 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -17.661 16.872 27.448 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -16.562 15.875 26.516 1.00 0.00 H new ATOM 320 N GLN A 25 -16.537 20.338 27.394 1.00 0.00 N ATOM 321 CA GLN A 25 -16.958 21.665 27.826 1.00 0.00 C ATOM 322 C GLN A 25 -15.859 22.350 28.631 1.00 0.00 C ATOM 323 O GLN A 25 -15.803 23.578 28.706 1.00 0.00 O ATOM 324 CB GLN A 25 -18.235 21.570 28.663 1.00 0.00 C ATOM 325 CG GLN A 25 -19.288 20.652 28.065 1.00 0.00 C ATOM 326 CD GLN A 25 -20.667 21.280 28.045 1.00 0.00 C ATOM 327 OE1 GLN A 25 -20.807 22.495 27.900 1.00 0.00 O ATOM 328 NE2 GLN A 25 -21.697 20.454 28.191 1.00 0.00 N ATOM 0 H GLN A 25 -16.841 19.579 28.004 1.00 0.00 H new ATOM 0 HA GLN A 25 -17.158 22.263 26.937 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -17.979 21.214 29.661 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -18.658 22.568 28.779 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -18.999 20.388 27.048 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -19.324 19.725 28.637 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -21.536 19.454 28.308 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -22.649 20.820 28.186 1.00 0.00 H new ATOM 337 N PHE A 26 -14.985 21.549 29.231 1.00 0.00 N ATOM 338 CA PHE A 26 -13.887 22.079 30.031 1.00 0.00 C ATOM 339 C PHE A 26 -12.545 21.822 29.352 1.00 0.00 C ATOM 340 O PHE A 26 -11.595 21.361 29.985 1.00 0.00 O ATOM 341 CB PHE A 26 -13.894 21.449 31.426 1.00 0.00 C ATOM 342 CG PHE A 26 -15.201 21.606 32.148 1.00 0.00 C ATOM 343 CD1 PHE A 26 -16.232 20.702 31.947 1.00 0.00 C ATOM 344 CD2 PHE A 26 -15.400 22.658 33.028 1.00 0.00 C ATOM 345 CE1 PHE A 26 -17.436 20.845 32.610 1.00 0.00 C ATOM 346 CE2 PHE A 26 -16.602 22.806 33.693 1.00 0.00 C ATOM 347 CZ PHE A 26 -17.621 21.898 33.485 1.00 0.00 C ATOM 0 H PHE A 26 -15.016 20.531 29.179 1.00 0.00 H new ATOM 0 HA PHE A 26 -14.026 23.156 30.125 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -13.662 20.388 31.338 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -13.102 21.900 32.023 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -16.093 19.877 31.265 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -14.606 23.371 33.196 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -18.232 20.134 32.444 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -16.744 23.631 34.375 1.00 0.00 H new ATOM 0 HZ PHE A 26 -18.561 22.011 34.005 1.00 0.00 H new ATOM 357 N TRP A 27 -12.476 22.122 28.060 1.00 0.00 N ATOM 358 CA TRP A 27 -11.251 21.923 27.293 1.00 0.00 C ATOM 359 C TRP A 27 -10.471 23.227 27.166 1.00 0.00 C ATOM 360 O TRP A 27 -11.011 24.309 27.393 1.00 0.00 O ATOM 361 CB TRP A 27 -11.578 21.372 25.905 1.00 0.00 C ATOM 362 CG TRP A 27 -11.749 19.883 25.882 1.00 0.00 C ATOM 363 CD1 TRP A 27 -11.775 19.045 26.959 1.00 0.00 C ATOM 364 CD2 TRP A 27 -11.916 19.058 24.724 1.00 0.00 C ATOM 365 NE1 TRP A 27 -11.948 17.747 26.541 1.00 0.00 N ATOM 366 CE2 TRP A 27 -12.038 17.728 25.174 1.00 0.00 C ATOM 367 CE3 TRP A 27 -11.976 19.312 23.351 1.00 0.00 C ATOM 368 CZ2 TRP A 27 -12.215 16.660 24.300 1.00 0.00 C ATOM 369 CZ3 TRP A 27 -12.152 18.250 22.484 1.00 0.00 C ATOM 370 CH2 TRP A 27 -12.270 16.937 22.961 1.00 0.00 C ATOM 0 H TRP A 27 -13.253 22.504 27.521 1.00 0.00 H new ATOM 0 HA TRP A 27 -10.631 21.201 27.825 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -12.492 21.841 25.542 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -10.781 21.650 25.215 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -11.674 19.356 27.988 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -12.001 16.930 27.150 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -11.886 20.320 22.974 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -12.306 15.648 24.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -12.199 18.435 21.421 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -12.407 16.129 22.258 1.00 0.00 H new ATOM 381 N SER A 28 -9.198 23.117 26.800 1.00 0.00 N ATOM 382 CA SER A 28 -8.342 24.287 26.646 1.00 0.00 C ATOM 383 C SER A 28 -8.043 24.551 25.173 1.00 0.00 C ATOM 384 O SER A 28 -8.251 23.687 24.321 1.00 0.00 O ATOM 385 CB SER A 28 -7.035 24.096 27.417 1.00 0.00 C ATOM 386 OG SER A 28 -6.519 25.338 27.863 1.00 0.00 O ATOM 0 H SER A 28 -8.736 22.229 26.604 1.00 0.00 H new ATOM 0 HA SER A 28 -8.871 25.149 27.052 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.206 23.442 28.272 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.302 23.602 26.779 1.00 0.00 H new ATOM 0 HG SER A 28 -5.684 25.188 28.354 1.00 0.00 H new ATOM 392 N LYS A 29 -7.553 25.751 24.881 1.00 0.00 N ATOM 393 CA LYS A 29 -7.222 26.131 23.513 1.00 0.00 C ATOM 394 C LYS A 29 -6.243 25.138 22.894 1.00 0.00 C ATOM 395 O LYS A 29 -6.195 24.976 21.674 1.00 0.00 O ATOM 396 CB LYS A 29 -6.624 27.539 23.483 1.00 0.00 C ATOM 397 CG LYS A 29 -7.550 28.605 24.043 1.00 0.00 C ATOM 398 CD LYS A 29 -6.790 29.618 24.883 1.00 0.00 C ATOM 399 CE LYS A 29 -7.713 30.700 25.422 1.00 0.00 C ATOM 400 NZ LYS A 29 -8.097 31.678 24.367 1.00 0.00 N ATOM 0 H LYS A 29 -7.376 26.478 25.574 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.141 26.121 22.927 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.694 27.542 24.052 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.369 27.795 22.454 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.055 29.116 23.224 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.323 28.134 24.650 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.300 29.109 25.713 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.004 30.075 24.281 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.611 30.239 25.834 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.219 31.224 26.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.726 32.399 24.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.243 32.137 23.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.591 31.183 23.598 1.00 0.00 H new ATOM 414 N THR A 30 -5.464 24.474 23.743 1.00 0.00 N ATOM 415 CA THR A 30 -4.487 23.497 23.280 1.00 0.00 C ATOM 416 C THR A 30 -5.122 22.122 23.111 1.00 0.00 C ATOM 417 O THR A 30 -4.874 21.431 22.123 1.00 0.00 O ATOM 418 CB THR A 30 -3.299 23.386 24.254 1.00 0.00 C ATOM 419 OG1 THR A 30 -2.979 24.676 24.786 1.00 0.00 O ATOM 420 CG2 THR A 30 -2.080 22.803 23.555 1.00 0.00 C ATOM 0 H THR A 30 -5.491 24.596 24.755 1.00 0.00 H new ATOM 0 HA THR A 30 -4.123 23.847 22.314 1.00 0.00 H new ATOM 0 HB THR A 30 -3.585 22.720 25.068 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.224 24.596 25.406 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.253 22.734 24.262 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.318 21.809 23.177 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.794 23.448 22.724 1.00 0.00 H new ATOM 428 N GLN A 31 -5.943 21.731 24.081 1.00 0.00 N ATOM 429 CA GLN A 31 -6.613 20.437 24.038 1.00 0.00 C ATOM 430 C GLN A 31 -7.434 20.291 22.761 1.00 0.00 C ATOM 431 O GLN A 31 -7.361 19.270 22.077 1.00 0.00 O ATOM 432 CB GLN A 31 -7.516 20.266 25.261 1.00 0.00 C ATOM 433 CG GLN A 31 -6.788 20.444 26.584 1.00 0.00 C ATOM 434 CD GLN A 31 -7.719 20.364 27.778 1.00 0.00 C ATOM 435 OE1 GLN A 31 -7.642 21.181 28.696 1.00 0.00 O ATOM 436 NE2 GLN A 31 -8.606 19.375 27.771 1.00 0.00 N ATOM 0 H GLN A 31 -6.160 22.291 24.905 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.849 19.660 24.048 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.331 20.987 25.204 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.966 19.274 25.234 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.018 19.678 26.677 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.280 21.408 26.588 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -8.634 18.721 26.989 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -9.259 19.270 28.548 1.00 0.00 H new ATOM 445 N VAL A 32 -8.216 21.319 22.445 1.00 0.00 N ATOM 446 CA VAL A 32 -9.051 21.305 21.250 1.00 0.00 C ATOM 447 C VAL A 32 -8.234 20.949 20.013 1.00 0.00 C ATOM 448 O VAL A 32 -8.464 19.918 19.379 1.00 0.00 O ATOM 449 CB VAL A 32 -9.733 22.668 21.026 1.00 0.00 C ATOM 450 CG1 VAL A 32 -10.688 22.600 19.844 1.00 0.00 C ATOM 451 CG2 VAL A 32 -10.461 23.112 22.286 1.00 0.00 C ATOM 0 H VAL A 32 -8.288 22.172 23.000 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.817 20.545 21.408 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.964 23.407 20.798 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -11.160 23.572 19.701 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -10.135 22.330 18.944 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -11.454 21.849 20.038 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -10.937 24.077 22.110 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -11.220 22.375 22.546 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.748 23.203 23.105 1.00 0.00 H new ATOM 461 N LEU A 33 -7.278 21.807 19.675 1.00 0.00 N ATOM 462 CA LEU A 33 -6.425 21.583 18.513 1.00 0.00 C ATOM 463 C LEU A 33 -5.630 20.290 18.662 1.00 0.00 C ATOM 464 O LEU A 33 -5.245 19.669 17.672 1.00 0.00 O ATOM 465 CB LEU A 33 -5.470 22.763 18.322 1.00 0.00 C ATOM 466 CG LEU A 33 -6.124 24.121 18.062 1.00 0.00 C ATOM 467 CD1 LEU A 33 -5.316 25.235 18.710 1.00 0.00 C ATOM 468 CD2 LEU A 33 -6.269 24.365 16.567 1.00 0.00 C ATOM 0 H LEU A 33 -7.074 22.664 20.189 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.065 21.495 17.635 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.846 22.847 19.212 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.806 22.536 17.488 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.119 24.115 18.507 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.796 26.194 18.515 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.264 25.068 19.786 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.308 25.243 18.295 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.736 25.336 16.400 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.285 24.351 16.099 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.890 23.584 16.129 1.00 0.00 H new ATOM 480 N ASP A 34 -5.391 19.889 19.906 1.00 0.00 N ATOM 481 CA ASP A 34 -4.645 18.667 20.185 1.00 0.00 C ATOM 482 C ASP A 34 -5.489 17.434 19.879 1.00 0.00 C ATOM 483 O ASP A 34 -4.957 16.364 19.582 1.00 0.00 O ATOM 484 CB ASP A 34 -4.194 18.643 21.646 1.00 0.00 C ATOM 485 CG ASP A 34 -2.866 19.343 21.854 1.00 0.00 C ATOM 486 OD1 ASP A 34 -2.527 20.226 21.039 1.00 0.00 O ATOM 487 OD2 ASP A 34 -2.164 19.007 22.831 1.00 0.00 O ATOM 0 H ASP A 34 -5.703 20.392 20.737 1.00 0.00 H new ATOM 0 HA ASP A 34 -3.766 18.651 19.541 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.954 19.120 22.265 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.113 17.609 21.981 1.00 0.00 H new ATOM 492 N TRP A 35 -6.805 17.590 19.956 1.00 0.00 N ATOM 493 CA TRP A 35 -7.723 16.488 19.688 1.00 0.00 C ATOM 494 C TRP A 35 -7.938 16.311 18.189 1.00 0.00 C ATOM 495 O TRP A 35 -8.149 15.196 17.711 1.00 0.00 O ATOM 496 CB TRP A 35 -9.063 16.733 20.384 1.00 0.00 C ATOM 497 CG TRP A 35 -10.121 15.744 19.998 1.00 0.00 C ATOM 498 CD1 TRP A 35 -10.228 14.450 20.423 1.00 0.00 C ATOM 499 CD2 TRP A 35 -11.221 15.968 19.109 1.00 0.00 C ATOM 500 NE1 TRP A 35 -11.328 13.857 19.851 1.00 0.00 N ATOM 501 CE2 TRP A 35 -11.954 14.768 19.042 1.00 0.00 C ATOM 502 CE3 TRP A 35 -11.658 17.067 18.365 1.00 0.00 C ATOM 503 CZ2 TRP A 35 -13.098 14.637 18.259 1.00 0.00 C ATOM 504 CZ3 TRP A 35 -12.794 16.936 17.588 1.00 0.00 C ATOM 505 CH2 TRP A 35 -13.504 15.729 17.541 1.00 0.00 C ATOM 0 H TRP A 35 -7.261 18.469 20.202 1.00 0.00 H new ATOM 0 HA TRP A 35 -7.279 15.574 20.082 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -8.916 16.695 21.463 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -9.410 17.738 20.145 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -9.548 13.965 21.108 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -11.629 12.895 20.004 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -11.118 18.002 18.396 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -13.645 13.707 18.220 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -13.140 17.778 17.007 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -14.389 15.659 16.926 1.00 0.00 H new ATOM 516 N ILE A 36 -7.884 17.416 17.454 1.00 0.00 N ATOM 517 CA ILE A 36 -8.072 17.381 16.009 1.00 0.00 C ATOM 518 C ILE A 36 -7.003 16.528 15.335 1.00 0.00 C ATOM 519 O ILE A 36 -7.312 15.630 14.552 1.00 0.00 O ATOM 520 CB ILE A 36 -8.041 18.797 15.402 1.00 0.00 C ATOM 521 CG1 ILE A 36 -9.128 19.669 16.033 1.00 0.00 C ATOM 522 CG2 ILE A 36 -8.218 18.730 13.893 1.00 0.00 C ATOM 523 CD1 ILE A 36 -9.092 21.109 15.570 1.00 0.00 C ATOM 0 H ILE A 36 -7.712 18.346 17.835 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.052 16.939 15.830 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.071 19.247 15.615 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.104 19.245 15.799 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.021 19.642 17.117 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -8.194 19.738 13.479 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.412 18.139 13.458 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.175 18.264 13.659 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.890 21.668 16.058 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.129 21.550 15.829 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.230 21.147 14.489 1.00 0.00 H new ATOM 535 N SER A 37 -5.743 16.814 15.647 1.00 0.00 N ATOM 536 CA SER A 37 -4.626 16.074 15.071 1.00 0.00 C ATOM 537 C SER A 37 -4.824 14.571 15.242 1.00 0.00 C ATOM 538 O SER A 37 -4.448 13.782 14.376 1.00 0.00 O ATOM 539 CB SER A 37 -3.311 16.504 15.724 1.00 0.00 C ATOM 540 OG SER A 37 -2.244 15.661 15.325 1.00 0.00 O ATOM 0 H SER A 37 -5.470 17.553 16.295 1.00 0.00 H new ATOM 0 HA SER A 37 -4.585 16.299 14.005 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.086 17.535 15.451 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.414 16.477 16.809 1.00 0.00 H new ATOM 0 HG SER A 37 -1.415 15.958 15.755 1.00 0.00 H new ATOM 546 N TYR A 38 -5.417 14.183 16.366 1.00 0.00 N ATOM 547 CA TYR A 38 -5.663 12.775 16.653 1.00 0.00 C ATOM 548 C TYR A 38 -6.608 12.166 15.622 1.00 0.00 C ATOM 549 O TYR A 38 -6.371 11.067 15.121 1.00 0.00 O ATOM 550 CB TYR A 38 -6.250 12.615 18.057 1.00 0.00 C ATOM 551 CG TYR A 38 -7.328 11.559 18.145 1.00 0.00 C ATOM 552 CD1 TYR A 38 -7.022 10.211 17.996 1.00 0.00 C ATOM 553 CD2 TYR A 38 -8.653 11.908 18.375 1.00 0.00 C ATOM 554 CE1 TYR A 38 -8.005 9.243 18.076 1.00 0.00 C ATOM 555 CE2 TYR A 38 -9.641 10.946 18.458 1.00 0.00 C ATOM 556 CZ TYR A 38 -9.312 9.616 18.307 1.00 0.00 C ATOM 557 OH TYR A 38 -10.294 8.655 18.386 1.00 0.00 O ATOM 0 H TYR A 38 -5.736 14.824 17.093 1.00 0.00 H new ATOM 0 HA TYR A 38 -4.710 12.248 16.602 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.448 12.362 18.751 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -6.662 13.571 18.381 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -5.999 9.915 17.815 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -8.915 12.949 18.491 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -7.751 8.200 17.958 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -10.666 11.234 18.640 1.00 0.00 H new ATOM 0 HH TYR A 38 -11.101 9.044 18.783 1.00 0.00 H new ATOM 567 N GLN A 39 -7.679 12.889 15.311 1.00 0.00 N ATOM 568 CA GLN A 39 -8.660 12.420 14.339 1.00 0.00 C ATOM 569 C GLN A 39 -8.155 12.620 12.915 1.00 0.00 C ATOM 570 O GLN A 39 -8.586 11.933 11.989 1.00 0.00 O ATOM 571 CB GLN A 39 -9.989 13.155 14.530 1.00 0.00 C ATOM 572 CG GLN A 39 -10.974 12.410 15.416 1.00 0.00 C ATOM 573 CD GLN A 39 -12.121 11.804 14.631 1.00 0.00 C ATOM 574 OE1 GLN A 39 -12.795 12.491 13.863 1.00 0.00 O ATOM 575 NE2 GLN A 39 -12.350 10.509 14.821 1.00 0.00 N ATOM 0 H GLN A 39 -7.889 13.801 15.717 1.00 0.00 H new ATOM 0 HA GLN A 39 -8.815 11.354 14.503 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.793 14.136 14.963 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -10.445 13.323 13.554 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -10.449 11.620 15.953 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -11.373 13.094 16.165 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.767 9.977 15.467 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -13.109 10.047 14.321 1.00 0.00 H new ATOM 584 N VAL A 40 -7.237 13.566 12.745 1.00 0.00 N ATOM 585 CA VAL A 40 -6.671 13.857 11.433 1.00 0.00 C ATOM 586 C VAL A 40 -5.659 12.793 11.023 1.00 0.00 C ATOM 587 O VAL A 40 -5.448 12.548 9.836 1.00 0.00 O ATOM 588 CB VAL A 40 -5.987 15.237 11.409 1.00 0.00 C ATOM 589 CG1 VAL A 40 -5.354 15.496 10.051 1.00 0.00 C ATOM 590 CG2 VAL A 40 -6.985 16.331 11.759 1.00 0.00 C ATOM 0 H VAL A 40 -6.869 14.145 13.500 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.500 13.859 10.725 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.196 15.245 12.159 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.876 16.475 10.053 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.608 14.728 9.845 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.124 15.470 9.280 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.486 17.300 11.738 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.799 16.326 11.034 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -7.386 16.152 12.756 1.00 0.00 H new ATOM 600 N GLU A 41 -5.035 12.164 12.015 1.00 0.00 N ATOM 601 CA GLU A 41 -4.043 11.127 11.757 1.00 0.00 C ATOM 602 C GLU A 41 -4.703 9.753 11.673 1.00 0.00 C ATOM 603 O GLU A 41 -4.176 8.836 11.044 1.00 0.00 O ATOM 604 CB GLU A 41 -2.976 11.126 12.853 1.00 0.00 C ATOM 605 CG GLU A 41 -1.892 10.082 12.646 1.00 0.00 C ATOM 606 CD GLU A 41 -1.380 10.046 11.219 1.00 0.00 C ATOM 607 OE1 GLU A 41 -1.163 11.131 10.640 1.00 0.00 O ATOM 608 OE2 GLU A 41 -1.198 8.934 10.681 1.00 0.00 O ATOM 0 H GLU A 41 -5.199 12.355 13.004 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.569 11.343 10.800 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.514 12.112 12.900 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.456 10.953 13.816 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.061 10.288 13.321 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.283 9.100 12.912 1.00 0.00 H new ATOM 615 N LYS A 42 -5.859 9.619 12.313 1.00 0.00 N ATOM 616 CA LYS A 42 -6.593 8.359 12.313 1.00 0.00 C ATOM 617 C LYS A 42 -7.473 8.242 11.072 1.00 0.00 C ATOM 618 O LYS A 42 -7.614 7.163 10.499 1.00 0.00 O ATOM 619 CB LYS A 42 -7.453 8.245 13.573 1.00 0.00 C ATOM 620 CG LYS A 42 -7.422 6.865 14.208 1.00 0.00 C ATOM 621 CD LYS A 42 -7.308 6.951 15.721 1.00 0.00 C ATOM 622 CE LYS A 42 -7.377 5.574 16.364 1.00 0.00 C ATOM 623 NZ LYS A 42 -6.257 4.698 15.920 1.00 0.00 N ATOM 0 H LYS A 42 -6.309 10.368 12.839 1.00 0.00 H new ATOM 0 HA LYS A 42 -5.868 7.545 12.301 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.112 8.979 14.303 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.483 8.498 13.324 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.327 6.320 13.941 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.580 6.299 13.810 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.368 7.432 15.989 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.110 7.577 16.112 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.349 5.678 17.449 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.328 5.103 16.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.250 3.828 16.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.384 4.454 14.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.354 5.200 16.042 1.00 0.00 H new ATOM 637 N ASN A 43 -8.061 9.361 10.662 1.00 0.00 N ATOM 638 CA ASN A 43 -8.926 9.384 9.488 1.00 0.00 C ATOM 639 C ASN A 43 -8.102 9.435 8.205 1.00 0.00 C ATOM 640 O ASN A 43 -8.648 9.420 7.102 1.00 0.00 O ATOM 641 CB ASN A 43 -9.871 10.586 9.549 1.00 0.00 C ATOM 642 CG ASN A 43 -11.013 10.375 10.524 1.00 0.00 C ATOM 643 OD1 ASN A 43 -12.184 10.408 10.143 1.00 0.00 O ATOM 644 ND2 ASN A 43 -10.677 10.156 11.790 1.00 0.00 N ATOM 0 H ASN A 43 -7.954 10.264 11.125 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.515 8.467 9.484 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -9.308 11.473 9.840 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.276 10.777 8.555 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.402 10.007 12.492 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -9.694 10.137 12.061 1.00 0.00 H new ATOM 651 N LYS A 44 -6.783 9.496 8.358 1.00 0.00 N ATOM 652 CA LYS A 44 -5.881 9.548 7.214 1.00 0.00 C ATOM 653 C LYS A 44 -6.106 10.819 6.401 1.00 0.00 C ATOM 654 O LYS A 44 -5.744 10.888 5.226 1.00 0.00 O ATOM 655 CB LYS A 44 -6.083 8.319 6.324 1.00 0.00 C ATOM 656 CG LYS A 44 -4.922 7.340 6.366 1.00 0.00 C ATOM 657 CD LYS A 44 -5.397 5.905 6.221 1.00 0.00 C ATOM 658 CE LYS A 44 -4.854 5.264 4.952 1.00 0.00 C ATOM 659 NZ LYS A 44 -5.805 5.394 3.814 1.00 0.00 N ATOM 0 H LYS A 44 -6.315 9.511 9.264 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.858 9.554 7.589 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.993 7.804 6.631 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.234 8.647 5.295 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.219 7.574 5.567 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.384 7.453 7.307 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.078 5.326 7.088 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.487 5.881 6.205 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.905 5.730 4.687 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.650 4.209 5.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.398 4.945 2.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.702 4.927 4.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.980 6.401 3.621 1.00 0.00 H new ATOM 673 N TYR A 45 -6.703 11.822 7.035 1.00 0.00 N ATOM 674 CA TYR A 45 -6.976 13.091 6.370 1.00 0.00 C ATOM 675 C TYR A 45 -5.678 13.801 5.997 1.00 0.00 C ATOM 676 O TYR A 45 -4.759 13.907 6.809 1.00 0.00 O ATOM 677 CB TYR A 45 -7.822 13.991 7.272 1.00 0.00 C ATOM 678 CG TYR A 45 -8.543 15.091 6.525 1.00 0.00 C ATOM 679 CD1 TYR A 45 -9.476 14.791 5.539 1.00 0.00 C ATOM 680 CD2 TYR A 45 -8.292 16.428 6.804 1.00 0.00 C ATOM 681 CE1 TYR A 45 -10.137 15.792 4.853 1.00 0.00 C ATOM 682 CE2 TYR A 45 -8.949 17.435 6.124 1.00 0.00 C ATOM 683 CZ TYR A 45 -9.870 17.112 5.150 1.00 0.00 C ATOM 684 OH TYR A 45 -10.526 18.113 4.469 1.00 0.00 O ATOM 0 H TYR A 45 -7.007 11.781 8.008 1.00 0.00 H new ATOM 0 HA TYR A 45 -7.530 12.881 5.455 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -8.555 13.379 7.797 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.179 14.439 8.030 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -9.688 13.758 5.305 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.571 16.685 7.566 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.858 15.542 4.089 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.742 18.470 6.354 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.742 17.805 3.564 1.00 0.00 H new ATOM 694 N ASP A 46 -5.611 14.287 4.762 1.00 0.00 N ATOM 695 CA ASP A 46 -4.428 14.989 4.280 1.00 0.00 C ATOM 696 C ASP A 46 -4.052 16.130 5.220 1.00 0.00 C ATOM 697 O ASP A 46 -2.883 16.502 5.324 1.00 0.00 O ATOM 698 CB ASP A 46 -4.670 15.532 2.870 1.00 0.00 C ATOM 699 CG ASP A 46 -3.548 15.178 1.914 1.00 0.00 C ATOM 700 OD1 ASP A 46 -3.230 13.977 1.789 1.00 0.00 O ATOM 701 OD2 ASP A 46 -2.989 16.103 1.288 1.00 0.00 O ATOM 0 H ASP A 46 -6.362 14.207 4.077 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.601 14.279 4.251 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.610 15.134 2.487 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -4.777 16.616 2.914 1.00 0.00 H new ATOM 706 N ALA A 47 -5.050 16.681 5.902 1.00 0.00 N ATOM 707 CA ALA A 47 -4.824 17.779 6.834 1.00 0.00 C ATOM 708 C ALA A 47 -4.307 19.017 6.110 1.00 0.00 C ATOM 709 O ALA A 47 -3.639 19.862 6.705 1.00 0.00 O ATOM 710 CB ALA A 47 -3.848 17.355 7.922 1.00 0.00 C ATOM 0 H ALA A 47 -6.023 16.385 5.827 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.778 18.033 7.296 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.688 18.184 8.611 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.258 16.504 8.467 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.898 17.072 7.469 1.00 0.00 H new ATOM 716 N SER A 48 -4.620 19.117 4.822 1.00 0.00 N ATOM 717 CA SER A 48 -4.182 20.250 4.015 1.00 0.00 C ATOM 718 C SER A 48 -5.359 21.159 3.671 1.00 0.00 C ATOM 719 O SER A 48 -5.353 21.838 2.645 1.00 0.00 O ATOM 720 CB SER A 48 -3.510 19.760 2.731 1.00 0.00 C ATOM 721 OG SER A 48 -2.765 18.577 2.965 1.00 0.00 O ATOM 0 H SER A 48 -5.175 18.427 4.315 1.00 0.00 H new ATOM 0 HA SER A 48 -3.461 20.822 4.598 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.267 19.572 1.969 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.852 20.537 2.342 1.00 0.00 H new ATOM 0 HG SER A 48 -2.992 17.908 2.286 1.00 0.00 H new ATOM 727 N ALA A 49 -6.366 21.165 4.538 1.00 0.00 N ATOM 728 CA ALA A 49 -7.549 21.991 4.328 1.00 0.00 C ATOM 729 C ALA A 49 -7.990 22.658 5.627 1.00 0.00 C ATOM 730 O ALA A 49 -8.364 23.831 5.637 1.00 0.00 O ATOM 731 CB ALA A 49 -8.681 21.154 3.752 1.00 0.00 C ATOM 0 H ALA A 49 -6.387 20.608 5.392 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.293 22.775 3.616 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.558 21.783 3.600 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.370 20.729 2.798 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -8.927 20.349 4.445 1.00 0.00 H new ATOM 737 N ILE A 50 -7.943 21.903 6.720 1.00 0.00 N ATOM 738 CA ILE A 50 -8.337 22.423 8.023 1.00 0.00 C ATOM 739 C ILE A 50 -7.619 23.732 8.333 1.00 0.00 C ATOM 740 O ILE A 50 -6.398 23.827 8.209 1.00 0.00 O ATOM 741 CB ILE A 50 -8.042 21.410 9.145 1.00 0.00 C ATOM 742 CG1 ILE A 50 -8.740 20.079 8.858 1.00 0.00 C ATOM 743 CG2 ILE A 50 -8.483 21.966 10.491 1.00 0.00 C ATOM 744 CD1 ILE A 50 -8.485 19.023 9.911 1.00 0.00 C ATOM 0 H ILE A 50 -7.636 20.930 6.729 1.00 0.00 H new ATOM 0 HA ILE A 50 -9.411 22.603 7.980 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.967 21.234 9.181 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -9.814 20.251 8.780 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.406 19.704 7.891 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -8.268 21.238 11.273 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.944 22.891 10.697 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -9.554 22.168 10.468 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.011 18.107 9.642 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.415 18.823 9.974 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.845 19.378 10.877 1.00 0.00 H new ATOM 756 N ASP A 51 -8.385 24.738 8.739 1.00 0.00 N ATOM 757 CA ASP A 51 -7.823 26.042 9.070 1.00 0.00 C ATOM 758 C ASP A 51 -7.609 26.175 10.575 1.00 0.00 C ATOM 759 O ASP A 51 -8.453 26.720 11.287 1.00 0.00 O ATOM 760 CB ASP A 51 -8.741 27.159 8.572 1.00 0.00 C ATOM 761 CG ASP A 51 -8.427 27.576 7.149 1.00 0.00 C ATOM 762 OD1 ASP A 51 -7.229 27.666 6.807 1.00 0.00 O ATOM 763 OD2 ASP A 51 -9.379 27.810 6.376 1.00 0.00 O ATOM 0 H ASP A 51 -9.397 24.676 8.847 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.856 26.130 8.574 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -9.777 26.826 8.630 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.647 28.023 9.230 1.00 0.00 H new ATOM 768 N PHE A 52 -6.475 25.673 11.053 1.00 0.00 N ATOM 769 CA PHE A 52 -6.151 25.734 12.474 1.00 0.00 C ATOM 770 C PHE A 52 -6.274 27.161 12.999 1.00 0.00 C ATOM 771 O PHE A 52 -6.735 27.385 14.119 1.00 0.00 O ATOM 772 CB PHE A 52 -4.735 25.209 12.718 1.00 0.00 C ATOM 773 CG PHE A 52 -4.552 23.771 12.323 1.00 0.00 C ATOM 774 CD1 PHE A 52 -4.795 22.753 13.231 1.00 0.00 C ATOM 775 CD2 PHE A 52 -4.137 23.438 11.044 1.00 0.00 C ATOM 776 CE1 PHE A 52 -4.628 21.429 12.871 1.00 0.00 C ATOM 777 CE2 PHE A 52 -3.968 22.116 10.678 1.00 0.00 C ATOM 778 CZ PHE A 52 -4.213 21.111 11.592 1.00 0.00 C ATOM 0 H PHE A 52 -5.765 25.220 10.478 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.862 25.106 13.011 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.027 25.823 12.161 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.492 25.321 13.775 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.119 22.997 14.232 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.943 24.220 10.325 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.821 20.645 13.588 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.644 21.869 9.678 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.080 20.078 11.308 1.00 0.00 H new ATOM 788 N SER A 53 -5.859 28.124 12.182 1.00 0.00 N ATOM 789 CA SER A 53 -5.918 29.530 12.565 1.00 0.00 C ATOM 790 C SER A 53 -7.343 29.933 12.933 1.00 0.00 C ATOM 791 O SER A 53 -7.555 30.831 13.749 1.00 0.00 O ATOM 792 CB SER A 53 -5.404 30.413 11.426 1.00 0.00 C ATOM 793 OG SER A 53 -4.162 31.007 11.763 1.00 0.00 O ATOM 0 H SER A 53 -5.478 27.956 11.251 1.00 0.00 H new ATOM 0 HA SER A 53 -5.282 29.670 13.439 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.292 29.816 10.521 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.135 31.191 11.206 1.00 0.00 H new ATOM 0 HG SER A 53 -3.854 31.565 11.019 1.00 0.00 H new ATOM 799 N ARG A 54 -8.316 29.264 12.324 1.00 0.00 N ATOM 800 CA ARG A 54 -9.721 29.552 12.586 1.00 0.00 C ATOM 801 C ARG A 54 -10.211 28.798 13.819 1.00 0.00 C ATOM 802 O ARG A 54 -11.171 29.211 14.471 1.00 0.00 O ATOM 803 CB ARG A 54 -10.575 29.178 11.373 1.00 0.00 C ATOM 804 CG ARG A 54 -10.504 30.190 10.242 1.00 0.00 C ATOM 805 CD ARG A 54 -11.602 31.235 10.359 1.00 0.00 C ATOM 806 NE ARG A 54 -11.262 32.468 9.655 1.00 0.00 N ATOM 807 CZ ARG A 54 -10.408 33.372 10.125 1.00 0.00 C ATOM 808 NH1 ARG A 54 -9.812 33.180 11.293 1.00 0.00 N ATOM 809 NH2 ARG A 54 -10.150 34.469 9.425 1.00 0.00 N ATOM 0 H ARG A 54 -8.157 28.519 11.646 1.00 0.00 H new ATOM 0 HA ARG A 54 -9.817 30.621 12.774 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.254 28.206 11.000 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.613 29.071 11.689 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.531 30.681 10.252 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.591 29.675 9.285 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.531 30.832 9.955 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -11.781 31.456 11.411 1.00 0.00 H new ATOM 0 HE ARG A 54 -11.704 32.646 8.753 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -10.008 32.337 11.833 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -9.157 33.875 11.652 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -10.607 34.619 8.526 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -9.495 35.162 9.786 1.00 0.00 H new ATOM 823 N CYS A 55 -9.546 27.691 14.131 1.00 0.00 N ATOM 824 CA CYS A 55 -9.914 26.878 15.285 1.00 0.00 C ATOM 825 C CYS A 55 -9.449 27.532 16.582 1.00 0.00 C ATOM 826 O CYS A 55 -8.547 27.031 17.253 1.00 0.00 O ATOM 827 CB CYS A 55 -9.312 25.478 15.161 1.00 0.00 C ATOM 828 SG CYS A 55 -9.840 24.330 16.455 1.00 0.00 S ATOM 0 H CYS A 55 -8.750 27.336 13.601 1.00 0.00 H new ATOM 0 HA CYS A 55 -11.001 26.797 15.310 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -9.582 25.063 14.190 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -8.225 25.558 15.183 1.00 0.00 H new ATOM 0 HG CYS A 55 -10.940 24.762 16.996 1.00 0.00 H new ATOM 834 N ASP A 56 -10.070 28.655 16.928 1.00 0.00 N ATOM 835 CA ASP A 56 -9.720 29.379 18.144 1.00 0.00 C ATOM 836 C ASP A 56 -10.804 29.216 19.205 1.00 0.00 C ATOM 837 O ASP A 56 -11.504 30.171 19.542 1.00 0.00 O ATOM 838 CB ASP A 56 -9.507 30.862 17.837 1.00 0.00 C ATOM 839 CG ASP A 56 -8.193 31.124 17.127 1.00 0.00 C ATOM 840 OD1 ASP A 56 -7.413 30.165 16.952 1.00 0.00 O ATOM 841 OD2 ASP A 56 -7.946 32.288 16.748 1.00 0.00 O ATOM 0 H ASP A 56 -10.818 29.083 16.383 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.792 28.960 18.532 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.329 31.224 17.219 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.534 31.430 18.767 1.00 0.00 H new ATOM 846 N MET A 57 -10.937 28.001 19.726 1.00 0.00 N ATOM 847 CA MET A 57 -11.937 27.714 20.749 1.00 0.00 C ATOM 848 C MET A 57 -11.307 26.992 21.936 1.00 0.00 C ATOM 849 O MET A 57 -10.666 25.954 21.775 1.00 0.00 O ATOM 850 CB MET A 57 -13.068 26.867 20.163 1.00 0.00 C ATOM 851 CG MET A 57 -12.580 25.714 19.301 1.00 0.00 C ATOM 852 SD MET A 57 -12.836 26.006 17.540 1.00 0.00 S ATOM 853 CE MET A 57 -14.218 24.915 17.214 1.00 0.00 C ATOM 0 H MET A 57 -10.366 27.200 19.457 1.00 0.00 H new ATOM 0 HA MET A 57 -12.347 28.662 21.098 1.00 0.00 H new ATOM 0 HB2 MET A 57 -13.673 26.470 20.978 1.00 0.00 H new ATOM 0 HB3 MET A 57 -13.718 27.507 19.566 1.00 0.00 H new ATOM 0 HG2 MET A 57 -11.519 25.550 19.488 1.00 0.00 H new ATOM 0 HG3 MET A 57 -13.100 24.802 19.593 1.00 0.00 H new ATOM 0 HE1 MET A 57 -14.842 25.343 16.429 1.00 0.00 H new ATOM 0 HE2 MET A 57 -13.846 23.942 16.892 1.00 0.00 H new ATOM 0 HE3 MET A 57 -14.809 24.795 18.122 1.00 0.00 H new ATOM 863 N ASP A 58 -11.495 27.549 23.128 1.00 0.00 N ATOM 864 CA ASP A 58 -10.946 26.958 24.343 1.00 0.00 C ATOM 865 C ASP A 58 -11.544 25.577 24.593 1.00 0.00 C ATOM 866 O ASP A 58 -10.819 24.595 24.750 1.00 0.00 O ATOM 867 CB ASP A 58 -11.212 27.867 25.543 1.00 0.00 C ATOM 868 CG ASP A 58 -12.633 28.395 25.566 1.00 0.00 C ATOM 869 OD1 ASP A 58 -12.890 29.437 24.926 1.00 0.00 O ATOM 870 OD2 ASP A 58 -13.489 27.766 26.223 1.00 0.00 O ATOM 0 H ASP A 58 -12.023 28.409 23.278 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.869 26.850 24.211 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.018 27.316 26.463 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.516 28.706 25.521 1.00 0.00 H new ATOM 875 N GLY A 59 -12.871 25.509 24.629 1.00 0.00 N ATOM 876 CA GLY A 59 -13.544 24.245 24.862 1.00 0.00 C ATOM 877 C GLY A 59 -15.052 24.364 24.768 1.00 0.00 C ATOM 878 O GLY A 59 -15.683 23.707 23.941 1.00 0.00 O ATOM 0 H GLY A 59 -13.492 26.308 24.501 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -13.195 23.512 24.135 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -13.273 23.869 25.849 1.00 0.00 H new ATOM 882 N ALA A 60 -15.632 25.204 25.620 1.00 0.00 N ATOM 883 CA ALA A 60 -17.075 25.407 25.629 1.00 0.00 C ATOM 884 C ALA A 60 -17.578 25.837 24.255 1.00 0.00 C ATOM 885 O ALA A 60 -18.713 25.543 23.877 1.00 0.00 O ATOM 886 CB ALA A 60 -17.455 26.441 26.679 1.00 0.00 C ATOM 0 H ALA A 60 -15.124 25.754 26.312 1.00 0.00 H new ATOM 0 HA ALA A 60 -17.549 24.458 25.880 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -18.536 26.583 26.675 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -17.138 26.094 27.663 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -16.964 27.387 26.452 1.00 0.00 H new ATOM 892 N THR A 61 -16.726 26.535 23.510 1.00 0.00 N ATOM 893 CA THR A 61 -17.085 27.006 22.178 1.00 0.00 C ATOM 894 C THR A 61 -17.120 25.856 21.178 1.00 0.00 C ATOM 895 O THR A 61 -17.814 25.923 20.163 1.00 0.00 O ATOM 896 CB THR A 61 -16.098 28.077 21.677 1.00 0.00 C ATOM 897 OG1 THR A 61 -16.108 29.204 22.559 1.00 0.00 O ATOM 898 CG2 THR A 61 -16.456 28.526 20.268 1.00 0.00 C ATOM 0 H THR A 61 -15.783 26.786 23.807 1.00 0.00 H new ATOM 0 HA THR A 61 -18.079 27.446 22.256 1.00 0.00 H new ATOM 0 HB THR A 61 -15.100 27.639 21.659 1.00 0.00 H new ATOM 0 HG1 THR A 61 -15.477 29.879 22.234 1.00 0.00 H new ATOM 0 HG21 THR A 61 -15.745 29.282 19.936 1.00 0.00 H new ATOM 0 HG22 THR A 61 -16.418 27.671 19.593 1.00 0.00 H new ATOM 0 HG23 THR A 61 -17.462 28.947 20.265 1.00 0.00 H new ATOM 906 N LEU A 62 -16.369 24.800 21.472 1.00 0.00 N ATOM 907 CA LEU A 62 -16.315 23.633 20.599 1.00 0.00 C ATOM 908 C LEU A 62 -17.593 22.808 20.712 1.00 0.00 C ATOM 909 O LEU A 62 -18.197 22.439 19.705 1.00 0.00 O ATOM 910 CB LEU A 62 -15.103 22.767 20.946 1.00 0.00 C ATOM 911 CG LEU A 62 -14.920 21.501 20.108 1.00 0.00 C ATOM 912 CD1 LEU A 62 -14.679 21.857 18.649 1.00 0.00 C ATOM 913 CD2 LEU A 62 -13.771 20.664 20.651 1.00 0.00 C ATOM 0 H LEU A 62 -15.789 24.728 22.308 1.00 0.00 H new ATOM 0 HA LEU A 62 -16.221 23.984 19.571 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -14.205 23.377 20.847 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -15.177 22.477 21.994 1.00 0.00 H new ATOM 0 HG LEU A 62 -15.835 20.911 20.171 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -14.551 20.944 18.068 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -15.533 22.415 18.265 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -13.780 22.468 18.567 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -13.655 19.767 20.043 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -12.850 21.246 20.619 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -13.984 20.379 21.681 1.00 0.00 H new ATOM 925 N CYS A 63 -17.999 22.524 21.945 1.00 0.00 N ATOM 926 CA CYS A 63 -19.207 21.743 22.191 1.00 0.00 C ATOM 927 C CYS A 63 -20.454 22.544 21.832 1.00 0.00 C ATOM 928 O CYS A 63 -21.497 21.976 21.511 1.00 0.00 O ATOM 929 CB CYS A 63 -19.268 21.308 23.655 1.00 0.00 C ATOM 930 SG CYS A 63 -19.418 22.678 24.826 1.00 0.00 S ATOM 0 H CYS A 63 -17.510 22.822 22.789 1.00 0.00 H new ATOM 0 HA CYS A 63 -19.173 20.856 21.558 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -20.116 20.636 23.788 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -18.369 20.739 23.892 1.00 0.00 H new ATOM 0 HG CYS A 63 -19.098 23.791 24.235 1.00 0.00 H new ATOM 936 N ASN A 64 -20.339 23.867 21.891 1.00 0.00 N ATOM 937 CA ASN A 64 -21.458 24.747 21.575 1.00 0.00 C ATOM 938 C ASN A 64 -21.566 24.971 20.070 1.00 0.00 C ATOM 939 O ASN A 64 -22.644 25.260 19.551 1.00 0.00 O ATOM 940 CB ASN A 64 -21.298 26.088 22.293 1.00 0.00 C ATOM 941 CG ASN A 64 -21.753 26.030 23.738 1.00 0.00 C ATOM 942 OD1 ASN A 64 -22.514 25.142 24.125 1.00 0.00 O ATOM 943 ND2 ASN A 64 -21.289 26.978 24.543 1.00 0.00 N ATOM 0 H ASN A 64 -19.482 24.353 22.155 1.00 0.00 H new ATOM 0 HA ASN A 64 -22.374 24.267 21.919 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -20.252 26.394 22.257 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -21.871 26.850 21.765 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -21.561 26.991 25.526 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -20.660 27.694 24.179 1.00 0.00 H new ATOM 950 N CYS A 65 -20.441 24.836 19.376 1.00 0.00 N ATOM 951 CA CYS A 65 -20.408 25.024 17.930 1.00 0.00 C ATOM 952 C CYS A 65 -21.479 24.179 17.247 1.00 0.00 C ATOM 953 O CYS A 65 -22.085 23.307 17.868 1.00 0.00 O ATOM 954 CB CYS A 65 -19.028 24.664 17.379 1.00 0.00 C ATOM 955 SG CYS A 65 -17.995 26.093 16.983 1.00 0.00 S ATOM 0 H CYS A 65 -19.540 24.597 19.791 1.00 0.00 H new ATOM 0 HA CYS A 65 -20.612 26.074 17.720 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -18.508 24.044 18.109 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -19.154 24.060 16.480 1.00 0.00 H new ATOM 0 HG CYS A 65 -18.662 26.915 16.228 1.00 0.00 H new ATOM 961 N ALA A 66 -21.707 24.446 15.965 1.00 0.00 N ATOM 962 CA ALA A 66 -22.703 23.710 15.197 1.00 0.00 C ATOM 963 C ALA A 66 -22.041 22.787 14.179 1.00 0.00 C ATOM 964 O ALA A 66 -20.887 22.991 13.800 1.00 0.00 O ATOM 965 CB ALA A 66 -23.651 24.675 14.500 1.00 0.00 C ATOM 0 H ALA A 66 -21.215 25.167 15.437 1.00 0.00 H new ATOM 0 HA ALA A 66 -23.275 23.092 15.889 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -24.390 24.111 13.930 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -24.158 25.288 15.245 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -23.085 25.317 13.825 1.00 0.00 H new ATOM 971 N LEU A 67 -22.778 21.772 13.741 1.00 0.00 N ATOM 972 CA LEU A 67 -22.262 20.817 12.766 1.00 0.00 C ATOM 973 C LEU A 67 -21.699 21.537 11.544 1.00 0.00 C ATOM 974 O LEU A 67 -20.516 21.413 11.230 1.00 0.00 O ATOM 975 CB LEU A 67 -23.365 19.848 12.339 1.00 0.00 C ATOM 976 CG LEU A 67 -23.100 19.051 11.061 1.00 0.00 C ATOM 977 CD1 LEU A 67 -21.754 18.348 11.141 1.00 0.00 C ATOM 978 CD2 LEU A 67 -24.216 18.044 10.820 1.00 0.00 C ATOM 0 H LEU A 67 -23.734 21.589 14.045 1.00 0.00 H new ATOM 0 HA LEU A 67 -21.456 20.254 13.236 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -23.538 19.144 13.153 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -24.287 20.414 12.206 1.00 0.00 H new ATOM 0 HG LEU A 67 -23.076 19.745 10.221 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -21.582 17.786 10.223 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -20.964 19.088 11.267 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -21.750 17.665 11.991 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -24.011 17.486 9.907 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -24.272 17.354 11.662 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -25.165 18.570 10.719 1.00 0.00 H new ATOM 990 N GLU A 68 -22.555 22.289 10.861 1.00 0.00 N ATOM 991 CA GLU A 68 -22.142 23.029 9.674 1.00 0.00 C ATOM 992 C GLU A 68 -20.906 23.875 9.964 1.00 0.00 C ATOM 993 O GLU A 68 -20.066 24.085 9.089 1.00 0.00 O ATOM 994 CB GLU A 68 -23.282 23.924 9.181 1.00 0.00 C ATOM 995 CG GLU A 68 -24.372 23.168 8.440 1.00 0.00 C ATOM 996 CD GLU A 68 -24.308 23.376 6.939 1.00 0.00 C ATOM 997 OE1 GLU A 68 -24.442 24.535 6.494 1.00 0.00 O ATOM 998 OE2 GLU A 68 -24.123 22.379 6.210 1.00 0.00 O ATOM 0 H GLU A 68 -23.538 22.402 11.108 1.00 0.00 H new ATOM 0 HA GLU A 68 -21.893 22.308 8.895 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -23.724 24.438 10.034 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -22.872 24.691 8.524 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -24.285 22.104 8.660 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -25.346 23.491 8.807 1.00 0.00 H new ATOM 1005 N GLU A 69 -20.802 24.358 11.198 1.00 0.00 N ATOM 1006 CA GLU A 69 -19.669 25.183 11.602 1.00 0.00 C ATOM 1007 C GLU A 69 -18.371 24.381 11.561 1.00 0.00 C ATOM 1008 O GLU A 69 -17.404 24.777 10.909 1.00 0.00 O ATOM 1009 CB GLU A 69 -19.893 25.741 13.009 1.00 0.00 C ATOM 1010 CG GLU A 69 -20.118 27.244 13.039 1.00 0.00 C ATOM 1011 CD GLU A 69 -20.507 27.748 14.415 1.00 0.00 C ATOM 1012 OE1 GLU A 69 -21.707 27.687 14.752 1.00 0.00 O ATOM 1013 OE2 GLU A 69 -19.609 28.203 15.155 1.00 0.00 O ATOM 0 H GLU A 69 -21.488 24.193 11.935 1.00 0.00 H new ATOM 0 HA GLU A 69 -19.586 26.012 10.899 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -20.755 25.244 13.455 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -19.029 25.499 13.629 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -19.209 27.750 12.714 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -20.900 27.505 12.326 1.00 0.00 H new ATOM 1020 N LEU A 70 -18.357 23.253 12.263 1.00 0.00 N ATOM 1021 CA LEU A 70 -17.178 22.395 12.308 1.00 0.00 C ATOM 1022 C LEU A 70 -16.770 21.957 10.906 1.00 0.00 C ATOM 1023 O LEU A 70 -15.603 21.655 10.654 1.00 0.00 O ATOM 1024 CB LEU A 70 -17.450 21.167 13.179 1.00 0.00 C ATOM 1025 CG LEU A 70 -18.008 21.445 14.576 1.00 0.00 C ATOM 1026 CD1 LEU A 70 -18.350 20.143 15.283 1.00 0.00 C ATOM 1027 CD2 LEU A 70 -17.013 22.254 15.396 1.00 0.00 C ATOM 0 H LEU A 70 -19.148 22.911 12.809 1.00 0.00 H new ATOM 0 HA LEU A 70 -16.359 22.967 12.743 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -18.151 20.520 12.652 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -16.520 20.609 13.286 1.00 0.00 H new ATOM 0 HG LEU A 70 -18.923 22.029 14.472 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -18.745 20.361 16.275 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -19.098 19.601 14.705 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -17.452 19.533 15.376 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -17.426 22.443 16.387 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -16.082 21.696 15.492 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -16.818 23.203 14.898 1.00 0.00 H new ATOM 1039 N ARG A 71 -17.737 21.927 9.995 1.00 0.00 N ATOM 1040 CA ARG A 71 -17.478 21.527 8.617 1.00 0.00 C ATOM 1041 C ARG A 71 -16.860 22.675 7.825 1.00 0.00 C ATOM 1042 O ARG A 71 -16.210 22.458 6.801 1.00 0.00 O ATOM 1043 CB ARG A 71 -18.773 21.068 7.944 1.00 0.00 C ATOM 1044 CG ARG A 71 -19.364 19.809 8.558 1.00 0.00 C ATOM 1045 CD ARG A 71 -20.838 19.660 8.211 1.00 0.00 C ATOM 1046 NE ARG A 71 -21.197 18.272 7.931 1.00 0.00 N ATOM 1047 CZ ARG A 71 -22.322 17.913 7.325 1.00 0.00 C ATOM 1048 NH1 ARG A 71 -23.194 18.833 6.936 1.00 0.00 N ATOM 1049 NH2 ARG A 71 -22.578 16.629 7.105 1.00 0.00 N ATOM 0 H ARG A 71 -18.708 22.175 10.186 1.00 0.00 H new ATOM 0 HA ARG A 71 -16.771 20.697 8.633 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -19.508 21.871 8.003 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -18.580 20.890 6.886 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -18.815 18.937 8.202 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -19.245 19.840 9.641 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -21.444 20.032 9.037 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -21.070 20.277 7.343 1.00 0.00 H new ATOM 0 HE ARG A 71 -20.548 17.539 8.217 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -23.001 19.821 7.102 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -24.057 18.553 6.471 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -21.910 15.918 7.402 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -23.443 16.354 6.639 1.00 0.00 H new ATOM 1063 N LEU A 72 -17.066 23.896 8.305 1.00 0.00 N ATOM 1064 CA LEU A 72 -16.530 25.080 7.642 1.00 0.00 C ATOM 1065 C LEU A 72 -15.169 25.457 8.217 1.00 0.00 C ATOM 1066 O LEU A 72 -14.416 26.219 7.610 1.00 0.00 O ATOM 1067 CB LEU A 72 -17.500 26.254 7.787 1.00 0.00 C ATOM 1068 CG LEU A 72 -18.417 26.519 6.592 1.00 0.00 C ATOM 1069 CD1 LEU A 72 -19.859 26.671 7.049 1.00 0.00 C ATOM 1070 CD2 LEU A 72 -17.961 27.758 5.835 1.00 0.00 C ATOM 0 H LEU A 72 -17.601 24.093 9.151 1.00 0.00 H new ATOM 0 HA LEU A 72 -16.406 24.848 6.584 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -18.122 26.079 8.665 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -16.920 27.156 7.982 1.00 0.00 H new ATOM 0 HG LEU A 72 -18.360 25.664 5.918 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -20.497 26.859 6.185 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -20.182 25.756 7.546 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -19.934 27.507 7.744 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -18.625 27.932 4.988 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -17.988 28.621 6.500 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -16.943 27.610 5.474 1.00 0.00 H new ATOM 1082 N VAL A 73 -14.857 24.916 9.390 1.00 0.00 N ATOM 1083 CA VAL A 73 -13.585 25.192 10.046 1.00 0.00 C ATOM 1084 C VAL A 73 -12.604 24.042 9.849 1.00 0.00 C ATOM 1085 O VAL A 73 -11.389 24.241 9.845 1.00 0.00 O ATOM 1086 CB VAL A 73 -13.773 25.439 11.555 1.00 0.00 C ATOM 1087 CG1 VAL A 73 -12.433 25.706 12.224 1.00 0.00 C ATOM 1088 CG2 VAL A 73 -14.735 26.595 11.789 1.00 0.00 C ATOM 0 H VAL A 73 -15.469 24.283 9.906 1.00 0.00 H new ATOM 0 HA VAL A 73 -13.181 26.094 9.585 1.00 0.00 H new ATOM 0 HB VAL A 73 -14.202 24.542 12.002 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -12.586 25.878 13.289 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.779 24.845 12.086 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.972 26.587 11.777 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -14.857 26.756 12.860 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -14.336 27.499 11.329 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -15.702 26.359 11.346 1.00 0.00 H new ATOM 1098 N PHE A 74 -13.139 22.836 9.687 1.00 0.00 N ATOM 1099 CA PHE A 74 -12.311 21.652 9.490 1.00 0.00 C ATOM 1100 C PHE A 74 -12.644 20.969 8.167 1.00 0.00 C ATOM 1101 O PHE A 74 -12.405 19.775 7.995 1.00 0.00 O ATOM 1102 CB PHE A 74 -12.505 20.670 10.647 1.00 0.00 C ATOM 1103 CG PHE A 74 -12.581 21.335 11.991 1.00 0.00 C ATOM 1104 CD1 PHE A 74 -11.561 22.165 12.428 1.00 0.00 C ATOM 1105 CD2 PHE A 74 -13.674 21.131 12.819 1.00 0.00 C ATOM 1106 CE1 PHE A 74 -11.628 22.777 13.665 1.00 0.00 C ATOM 1107 CE2 PHE A 74 -13.747 21.741 14.057 1.00 0.00 C ATOM 1108 CZ PHE A 74 -12.723 22.566 14.480 1.00 0.00 C ATOM 0 H PHE A 74 -14.142 22.653 9.688 1.00 0.00 H new ATOM 0 HA PHE A 74 -11.268 21.969 9.462 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -13.419 20.100 10.480 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -11.681 19.957 10.650 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -10.703 22.336 11.794 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -14.478 20.488 12.493 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -10.825 23.420 13.994 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -14.604 21.573 14.693 1.00 0.00 H new ATOM 0 HZ PHE A 74 -12.778 23.045 15.446 1.00 0.00 H new ATOM 1118 N GLY A 75 -13.198 21.738 7.234 1.00 0.00 N ATOM 1119 CA GLY A 75 -13.556 21.190 5.938 1.00 0.00 C ATOM 1120 C GLY A 75 -14.557 20.057 6.044 1.00 0.00 C ATOM 1121 O GLY A 75 -15.380 20.011 6.959 1.00 0.00 O ATOM 0 H GLY A 75 -13.405 22.730 7.352 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.972 21.981 5.315 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.657 20.831 5.438 1.00 0.00 H new ATOM 1125 N PRO A 76 -14.494 19.116 5.091 1.00 0.00 N ATOM 1126 CA PRO A 76 -15.396 17.960 5.058 1.00 0.00 C ATOM 1127 C PRO A 76 -15.115 16.974 6.187 1.00 0.00 C ATOM 1128 O PRO A 76 -15.858 16.012 6.385 1.00 0.00 O ATOM 1129 CB PRO A 76 -15.100 17.317 3.701 1.00 0.00 C ATOM 1130 CG PRO A 76 -13.706 17.735 3.380 1.00 0.00 C ATOM 1131 CD PRO A 76 -13.538 19.107 3.971 1.00 0.00 C ATOM 0 HA PRO A 76 -16.438 18.252 5.188 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -15.187 16.232 3.750 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -15.801 17.659 2.940 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -12.983 17.037 3.802 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -13.542 17.752 2.303 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -12.517 19.275 4.313 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -13.763 19.888 3.244 1.00 0.00 H new ATOM 1139 N LEU A 77 -14.038 17.218 6.925 1.00 0.00 N ATOM 1140 CA LEU A 77 -13.658 16.352 8.036 1.00 0.00 C ATOM 1141 C LEU A 77 -14.574 16.573 9.236 1.00 0.00 C ATOM 1142 O LEU A 77 -14.747 15.684 10.069 1.00 0.00 O ATOM 1143 CB LEU A 77 -12.204 16.608 8.435 1.00 0.00 C ATOM 1144 CG LEU A 77 -11.637 15.699 9.526 1.00 0.00 C ATOM 1145 CD1 LEU A 77 -11.860 14.237 9.171 1.00 0.00 C ATOM 1146 CD2 LEU A 77 -10.156 15.978 9.737 1.00 0.00 C ATOM 0 H LEU A 77 -13.412 18.009 6.774 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.761 15.317 7.709 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -11.581 16.507 7.546 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -12.117 17.642 8.770 1.00 0.00 H new ATOM 0 HG LEU A 77 -12.162 15.910 10.457 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.450 13.605 9.959 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.928 14.046 9.071 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -11.361 14.011 8.228 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -9.770 15.322 10.517 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.615 15.795 8.808 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.021 17.017 10.037 1.00 0.00 H new ATOM 1158 N GLY A 78 -15.159 17.764 9.316 1.00 0.00 N ATOM 1159 CA GLY A 78 -16.052 18.079 10.416 1.00 0.00 C ATOM 1160 C GLY A 78 -17.137 17.037 10.599 1.00 0.00 C ATOM 1161 O GLY A 78 -17.530 16.731 11.725 1.00 0.00 O ATOM 0 H GLY A 78 -15.031 18.516 8.639 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -15.474 18.163 11.336 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -16.512 19.051 10.239 1.00 0.00 H new ATOM 1165 N ASP A 79 -17.624 16.491 9.491 1.00 0.00 N ATOM 1166 CA ASP A 79 -18.672 15.478 9.533 1.00 0.00 C ATOM 1167 C ASP A 79 -18.253 14.300 10.408 1.00 0.00 C ATOM 1168 O ASP A 79 -19.096 13.594 10.959 1.00 0.00 O ATOM 1169 CB ASP A 79 -18.997 14.990 8.121 1.00 0.00 C ATOM 1170 CG ASP A 79 -20.177 14.038 8.094 1.00 0.00 C ATOM 1171 OD1 ASP A 79 -20.915 13.980 9.101 1.00 0.00 O ATOM 1172 OD2 ASP A 79 -20.363 13.353 7.067 1.00 0.00 O ATOM 0 H ASP A 79 -17.310 16.733 8.551 1.00 0.00 H new ATOM 0 HA ASP A 79 -19.564 15.931 9.966 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -19.212 15.848 7.484 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -18.123 14.492 7.702 1.00 0.00 H new ATOM 1177 N GLN A 80 -16.945 14.095 10.528 1.00 0.00 N ATOM 1178 CA GLN A 80 -16.415 13.001 11.334 1.00 0.00 C ATOM 1179 C GLN A 80 -16.128 13.464 12.759 1.00 0.00 C ATOM 1180 O GLN A 80 -16.354 12.727 13.720 1.00 0.00 O ATOM 1181 CB GLN A 80 -15.140 12.444 10.700 1.00 0.00 C ATOM 1182 CG GLN A 80 -15.392 11.629 9.441 1.00 0.00 C ATOM 1183 CD GLN A 80 -16.448 10.559 9.640 1.00 0.00 C ATOM 1184 OE1 GLN A 80 -16.217 9.564 10.327 1.00 0.00 O ATOM 1185 NE2 GLN A 80 -17.615 10.760 9.039 1.00 0.00 N ATOM 0 H GLN A 80 -16.234 14.671 10.078 1.00 0.00 H new ATOM 0 HA GLN A 80 -17.168 12.213 11.372 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -14.472 13.271 10.460 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -14.624 11.820 11.430 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -15.703 12.296 8.637 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -14.461 11.160 9.124 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -17.762 11.600 8.479 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -18.364 10.075 9.137 1.00 0.00 H new ATOM 1194 N LEU A 81 -15.629 14.688 12.888 1.00 0.00 N ATOM 1195 CA LEU A 81 -15.310 15.250 14.196 1.00 0.00 C ATOM 1196 C LEU A 81 -16.579 15.502 15.004 1.00 0.00 C ATOM 1197 O LEU A 81 -16.568 15.435 16.234 1.00 0.00 O ATOM 1198 CB LEU A 81 -14.527 16.554 14.036 1.00 0.00 C ATOM 1199 CG LEU A 81 -13.326 16.504 13.091 1.00 0.00 C ATOM 1200 CD1 LEU A 81 -12.791 17.904 12.832 1.00 0.00 C ATOM 1201 CD2 LEU A 81 -12.234 15.611 13.663 1.00 0.00 C ATOM 0 H LEU A 81 -15.436 15.310 12.103 1.00 0.00 H new ATOM 0 HA LEU A 81 -14.695 14.528 14.734 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -15.212 17.324 13.681 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -14.177 16.867 15.020 1.00 0.00 H new ATOM 0 HG LEU A 81 -13.653 16.081 12.141 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.937 17.848 12.157 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -13.572 18.514 12.378 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.480 18.355 13.774 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.387 15.587 12.977 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.910 16.004 14.626 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -12.622 14.601 13.795 1.00 0.00 H new ATOM 1213 N HIS A 82 -17.673 15.790 14.305 1.00 0.00 N ATOM 1214 CA HIS A 82 -18.951 16.049 14.958 1.00 0.00 C ATOM 1215 C HIS A 82 -19.474 14.792 15.647 1.00 0.00 C ATOM 1216 O HIS A 82 -19.771 14.806 16.841 1.00 0.00 O ATOM 1217 CB HIS A 82 -19.976 16.549 13.939 1.00 0.00 C ATOM 1218 CG HIS A 82 -21.348 16.731 14.509 1.00 0.00 C ATOM 1219 ND1 HIS A 82 -22.253 15.698 14.637 1.00 0.00 N ATOM 1220 CD2 HIS A 82 -21.969 17.834 14.989 1.00 0.00 C ATOM 1221 CE1 HIS A 82 -23.371 16.158 15.169 1.00 0.00 C ATOM 1222 NE2 HIS A 82 -23.225 17.451 15.393 1.00 0.00 N ATOM 0 H HIS A 82 -17.700 15.850 13.287 1.00 0.00 H new ATOM 0 HA HIS A 82 -18.795 16.819 15.714 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -19.634 17.499 13.528 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -20.027 15.843 13.110 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -21.554 18.830 15.044 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -24.255 15.575 15.384 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -23.930 18.066 15.800 1.00 0.00 H new ATOM 1230 N ALA A 83 -19.583 13.708 14.887 1.00 0.00 N ATOM 1231 CA ALA A 83 -20.068 12.443 15.425 1.00 0.00 C ATOM 1232 C ALA A 83 -19.180 11.955 16.565 1.00 0.00 C ATOM 1233 O ALA A 83 -19.602 11.141 17.386 1.00 0.00 O ATOM 1234 CB ALA A 83 -20.142 11.395 14.325 1.00 0.00 C ATOM 0 H ALA A 83 -19.342 13.680 13.896 1.00 0.00 H new ATOM 0 HA ALA A 83 -21.069 12.606 15.824 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -20.506 10.456 14.741 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -20.823 11.734 13.545 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -19.150 11.243 13.900 1.00 0.00 H new ATOM 1240 N GLN A 84 -17.950 12.457 16.607 1.00 0.00 N ATOM 1241 CA GLN A 84 -17.003 12.069 17.646 1.00 0.00 C ATOM 1242 C GLN A 84 -17.197 12.912 18.902 1.00 0.00 C ATOM 1243 O GLN A 84 -16.855 12.488 20.006 1.00 0.00 O ATOM 1244 CB GLN A 84 -15.568 12.215 17.137 1.00 0.00 C ATOM 1245 CG GLN A 84 -15.182 11.173 16.099 1.00 0.00 C ATOM 1246 CD GLN A 84 -14.533 9.949 16.714 1.00 0.00 C ATOM 1247 OE1 GLN A 84 -14.979 8.821 16.497 1.00 0.00 O ATOM 1248 NE2 GLN A 84 -13.475 10.164 17.486 1.00 0.00 N ATOM 0 H GLN A 84 -17.586 13.132 15.935 1.00 0.00 H new ATOM 0 HA GLN A 84 -17.188 11.025 17.899 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -15.443 13.208 16.706 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -14.883 12.146 17.982 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -16.071 10.869 15.547 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -14.497 11.620 15.379 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -13.140 11.115 17.638 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -12.997 9.378 17.927 1.00 0.00 H new ATOM 1257 N LEU A 85 -17.749 14.108 18.726 1.00 0.00 N ATOM 1258 CA LEU A 85 -17.989 15.012 19.845 1.00 0.00 C ATOM 1259 C LEU A 85 -19.394 14.821 20.407 1.00 0.00 C ATOM 1260 O LEU A 85 -19.624 14.998 21.604 1.00 0.00 O ATOM 1261 CB LEU A 85 -17.796 16.464 19.404 1.00 0.00 C ATOM 1262 CG LEU A 85 -16.410 17.061 19.648 1.00 0.00 C ATOM 1263 CD1 LEU A 85 -16.250 18.367 18.886 1.00 0.00 C ATOM 1264 CD2 LEU A 85 -16.177 17.278 21.136 1.00 0.00 C ATOM 0 H LEU A 85 -18.039 14.474 17.819 1.00 0.00 H new ATOM 0 HA LEU A 85 -17.269 14.779 20.630 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -18.016 16.531 18.339 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -18.531 17.081 19.921 1.00 0.00 H new ATOM 0 HG LEU A 85 -15.663 16.357 19.282 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -15.257 18.777 19.072 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -16.373 18.183 17.819 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -17.005 19.078 19.221 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -15.185 17.703 21.291 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -16.930 17.962 21.526 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -16.248 16.324 21.658 1.00 0.00 H new ATOM 1276 N ARG A 86 -20.330 14.457 19.537 1.00 0.00 N ATOM 1277 CA ARG A 86 -21.712 14.241 19.946 1.00 0.00 C ATOM 1278 C ARG A 86 -21.815 13.064 20.911 1.00 0.00 C ATOM 1279 O ARG A 86 -22.719 13.009 21.746 1.00 0.00 O ATOM 1280 CB ARG A 86 -22.596 13.991 18.723 1.00 0.00 C ATOM 1281 CG ARG A 86 -22.427 12.605 18.123 1.00 0.00 C ATOM 1282 CD ARG A 86 -23.380 12.382 16.959 1.00 0.00 C ATOM 1283 NE ARG A 86 -23.119 11.120 16.272 1.00 0.00 N ATOM 1284 CZ ARG A 86 -23.648 10.800 15.096 1.00 0.00 C ATOM 1285 NH1 ARG A 86 -24.461 11.646 14.479 1.00 0.00 N ATOM 1286 NH2 ARG A 86 -23.363 9.632 14.535 1.00 0.00 N ATOM 0 H ARG A 86 -20.156 14.305 18.543 1.00 0.00 H new ATOM 0 HA ARG A 86 -22.058 15.139 20.457 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -23.640 14.131 19.005 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -22.368 14.737 17.962 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -21.399 12.477 17.783 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -22.605 11.851 18.890 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -24.407 12.390 17.325 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -23.287 13.206 16.251 1.00 0.00 H new ATOM 0 HE ARG A 86 -22.496 10.447 16.720 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -24.682 12.545 14.907 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -24.866 11.398 13.576 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -22.737 8.979 15.007 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -23.770 9.387 13.632 1.00 0.00 H new ATOM 1300 N ASP A 87 -20.885 12.123 20.790 1.00 0.00 N ATOM 1301 CA ASP A 87 -20.871 10.946 21.651 1.00 0.00 C ATOM 1302 C ASP A 87 -20.298 11.284 23.023 1.00 0.00 C ATOM 1303 O ASP A 87 -20.702 10.711 24.036 1.00 0.00 O ATOM 1304 CB ASP A 87 -20.055 9.825 21.005 1.00 0.00 C ATOM 1305 CG ASP A 87 -20.930 8.790 20.325 1.00 0.00 C ATOM 1306 OD1 ASP A 87 -21.373 7.845 21.010 1.00 0.00 O ATOM 1307 OD2 ASP A 87 -21.172 8.926 19.108 1.00 0.00 O ATOM 0 H ASP A 87 -20.131 12.152 20.104 1.00 0.00 H new ATOM 0 HA ASP A 87 -21.899 10.608 21.780 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -19.369 10.254 20.274 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -19.446 9.338 21.766 1.00 0.00 H new ATOM 1312 N LEU A 88 -19.352 12.217 23.050 1.00 0.00 N ATOM 1313 CA LEU A 88 -18.721 12.631 24.299 1.00 0.00 C ATOM 1314 C LEU A 88 -19.709 13.383 25.185 1.00 0.00 C ATOM 1315 O LEU A 88 -19.876 13.060 26.362 1.00 0.00 O ATOM 1316 CB LEU A 88 -17.504 13.512 24.011 1.00 0.00 C ATOM 1317 CG LEU A 88 -16.304 12.811 23.374 1.00 0.00 C ATOM 1318 CD1 LEU A 88 -15.527 13.776 22.493 1.00 0.00 C ATOM 1319 CD2 LEU A 88 -15.400 12.221 24.448 1.00 0.00 C ATOM 0 H LEU A 88 -19.005 12.701 22.222 1.00 0.00 H new ATOM 0 HA LEU A 88 -18.396 11.735 24.828 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -17.816 14.324 23.354 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -17.179 13.966 24.947 1.00 0.00 H new ATOM 0 HG LEU A 88 -16.673 11.998 22.749 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -14.677 13.259 22.048 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -16.177 14.151 21.703 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -15.169 14.611 23.095 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -14.551 11.726 23.977 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -15.040 13.018 25.099 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -15.961 11.496 25.038 1.00 0.00 H new