USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=13 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 25 GLN : amide:sc= -0.145 K(o=0.31,f=-0.37) USER MOD Set 1.2: A 63 CYS SG : rot 49:sc= 0.151 USER MOD Set 1.3: A 64 ASN : amide:sc= 0.3 K(o=0.31,f=-0.72) USER MOD Set 2.1: A 57 MET CE :methyl 136:sc= -5.92! (180deg=-4.63!) USER MOD Set 2.2: A 65 CYS SG : rot -34:sc= 0.521 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.88) 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= -1.47 K(o=-1.5,f=-2.3!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -3.03! C(o=-3!,f=-8.3!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot -30:sc= -0.661 USER MOD Single : A 48 SER OG : rot 128:sc= 0.433 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 133:sc= 0.0968 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -2.02 X(o=-2,f=-2.3) USER MOD Single : A 82 HIS : no HD1:sc= -0.894 X(o=-0.89,f=-0.66) USER MOD Single : A 84 GLN : amide:sc= -0.141 K(o=-0.14,f=-0.75) USER MOD ----------------------------------------------------------------- ATOM 203 N ALA A 17 -3.681 11.367 26.670 1.00 0.00 N ATOM 204 CA ALA A 17 -4.121 12.511 25.881 1.00 0.00 C ATOM 205 C ALA A 17 -4.464 13.696 26.777 1.00 0.00 C ATOM 206 O ALA A 17 -5.117 13.538 27.808 1.00 0.00 O ATOM 207 CB ALA A 17 -5.319 12.131 25.023 1.00 0.00 C ATOM 0 HA ALA A 17 -3.300 12.808 25.228 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.637 12.995 24.439 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.042 11.320 24.350 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.138 11.806 25.665 1.00 0.00 H new ATOM 213 N SER A 18 -4.019 14.883 26.377 1.00 0.00 N ATOM 214 CA SER A 18 -4.275 16.095 27.146 1.00 0.00 C ATOM 215 C SER A 18 -5.773 16.363 27.255 1.00 0.00 C ATOM 216 O SER A 18 -6.219 17.112 28.124 1.00 0.00 O ATOM 217 CB SER A 18 -3.577 17.292 26.499 1.00 0.00 C ATOM 218 OG SER A 18 -2.894 18.069 27.468 1.00 0.00 O ATOM 0 H SER A 18 -3.479 15.031 25.524 1.00 0.00 H new ATOM 0 HA SER A 18 -3.876 15.950 28.150 1.00 0.00 H new ATOM 0 HB2 SER A 18 -2.871 16.942 25.746 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.312 17.911 25.984 1.00 0.00 H new ATOM 0 HG SER A 18 -2.455 18.827 27.029 1.00 0.00 H new ATOM 224 N TRP A 19 -6.544 15.745 26.367 1.00 0.00 N ATOM 225 CA TRP A 19 -7.992 15.916 26.362 1.00 0.00 C ATOM 226 C TRP A 19 -8.693 14.635 26.800 1.00 0.00 C ATOM 227 O TRP A 19 -9.888 14.455 26.558 1.00 0.00 O ATOM 228 CB TRP A 19 -8.474 16.325 24.969 1.00 0.00 C ATOM 229 CG TRP A 19 -7.847 15.526 23.866 1.00 0.00 C ATOM 230 CD1 TRP A 19 -6.718 15.842 23.165 1.00 0.00 C ATOM 231 CD2 TRP A 19 -8.315 14.281 23.337 1.00 0.00 C ATOM 232 NE1 TRP A 19 -6.457 14.868 22.232 1.00 0.00 N ATOM 233 CE2 TRP A 19 -7.421 13.899 22.318 1.00 0.00 C ATOM 234 CE3 TRP A 19 -9.401 13.450 23.627 1.00 0.00 C ATOM 235 CZ2 TRP A 19 -7.582 12.723 21.589 1.00 0.00 C ATOM 236 CZ3 TRP A 19 -9.560 12.285 22.902 1.00 0.00 C ATOM 237 CH2 TRP A 19 -8.654 11.929 21.893 1.00 0.00 C ATOM 0 H TRP A 19 -6.190 15.121 25.642 1.00 0.00 H new ATOM 0 HA TRP A 19 -8.242 16.705 27.071 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -9.557 16.212 24.919 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -8.256 17.381 24.812 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -6.119 16.727 23.321 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -5.672 14.867 21.581 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -10.103 13.714 24.404 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -6.885 12.448 20.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -10.397 11.637 23.116 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -8.805 11.011 21.345 1.00 0.00 H new ATOM 248 N LEU A 20 -7.945 13.748 27.446 1.00 0.00 N ATOM 249 CA LEU A 20 -8.496 12.482 27.919 1.00 0.00 C ATOM 250 C LEU A 20 -8.765 12.532 29.420 1.00 0.00 C ATOM 251 O LEU A 20 -7.856 12.758 30.217 1.00 0.00 O ATOM 252 CB LEU A 20 -7.536 11.335 27.600 1.00 0.00 C ATOM 253 CG LEU A 20 -7.878 10.497 26.367 1.00 0.00 C ATOM 254 CD1 LEU A 20 -6.820 9.429 26.137 1.00 0.00 C ATOM 255 CD2 LEU A 20 -9.253 9.864 26.518 1.00 0.00 C ATOM 0 H LEU A 20 -6.955 13.881 27.655 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.442 12.311 27.404 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -6.537 11.750 27.467 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.493 10.672 28.464 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.896 11.155 25.498 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.080 8.843 25.256 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.851 9.904 25.984 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.769 8.774 27.007 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -9.480 9.271 25.632 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -9.262 9.220 27.397 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -10.003 10.646 26.633 1.00 0.00 H new ATOM 267 N GLY A 21 -10.022 12.318 29.797 1.00 0.00 N ATOM 268 CA GLY A 21 -10.388 12.341 31.201 1.00 0.00 C ATOM 269 C GLY A 21 -11.341 13.472 31.534 1.00 0.00 C ATOM 270 O GLY A 21 -12.012 13.443 32.564 1.00 0.00 O ATOM 0 H GLY A 21 -10.793 12.129 29.156 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -10.850 11.391 31.468 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -9.487 12.439 31.806 1.00 0.00 H new ATOM 274 N GLU A 22 -11.398 14.471 30.659 1.00 0.00 N ATOM 275 CA GLU A 22 -12.274 15.618 30.867 1.00 0.00 C ATOM 276 C GLU A 22 -13.242 15.783 29.699 1.00 0.00 C ATOM 277 O GLU A 22 -12.884 15.545 28.546 1.00 0.00 O ATOM 278 CB GLU A 22 -11.448 16.894 31.043 1.00 0.00 C ATOM 279 CG GLU A 22 -12.242 18.060 31.607 1.00 0.00 C ATOM 280 CD GLU A 22 -12.620 17.859 33.062 1.00 0.00 C ATOM 281 OE1 GLU A 22 -11.781 17.339 33.826 1.00 0.00 O ATOM 282 OE2 GLU A 22 -13.755 18.222 33.436 1.00 0.00 O ATOM 0 H GLU A 22 -10.849 14.509 29.800 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.853 15.440 31.774 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.607 16.684 31.704 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.031 17.182 30.078 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.656 18.974 31.511 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.147 18.198 31.016 1.00 0.00 H new ATOM 289 N GLN A 23 -14.469 16.191 30.007 1.00 0.00 N ATOM 290 CA GLN A 23 -15.488 16.387 28.983 1.00 0.00 C ATOM 291 C GLN A 23 -15.041 17.428 27.962 1.00 0.00 C ATOM 292 O GLN A 23 -14.149 18.238 28.214 1.00 0.00 O ATOM 293 CB GLN A 23 -16.809 16.817 29.624 1.00 0.00 C ATOM 294 CG GLN A 23 -17.684 15.652 30.056 1.00 0.00 C ATOM 295 CD GLN A 23 -18.924 16.099 30.804 1.00 0.00 C ATOM 296 OE1 GLN A 23 -19.178 17.295 30.949 1.00 0.00 O ATOM 297 NE2 GLN A 23 -19.704 15.138 31.285 1.00 0.00 N ATOM 0 H GLN A 23 -14.781 16.392 30.957 1.00 0.00 H new ATOM 0 HA GLN A 23 -15.635 15.439 28.466 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -16.596 17.441 30.492 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -17.363 17.433 28.916 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -17.981 15.080 29.177 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -17.103 14.982 30.690 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -19.455 14.159 31.141 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -20.552 15.378 31.798 1.00 0.00 H new ATOM 306 N PRO A 24 -15.675 17.407 26.780 1.00 0.00 N ATOM 307 CA PRO A 24 -15.359 18.343 25.696 1.00 0.00 C ATOM 308 C PRO A 24 -15.796 19.769 26.017 1.00 0.00 C ATOM 309 O PRO A 24 -15.468 20.706 25.289 1.00 0.00 O ATOM 310 CB PRO A 24 -16.156 17.794 24.510 1.00 0.00 C ATOM 311 CG PRO A 24 -17.284 17.042 25.127 1.00 0.00 C ATOM 312 CD PRO A 24 -16.748 16.470 26.410 1.00 0.00 C ATOM 0 HA PRO A 24 -14.286 18.408 25.513 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -16.519 18.599 23.871 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -15.541 17.145 23.887 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -18.133 17.699 25.317 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -17.635 16.251 24.464 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -17.518 16.418 27.179 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -16.367 15.458 26.271 1.00 0.00 H new ATOM 320 N GLN A 25 -16.537 19.925 27.109 1.00 0.00 N ATOM 321 CA GLN A 25 -17.018 21.237 27.524 1.00 0.00 C ATOM 322 C GLN A 25 -15.967 21.964 28.358 1.00 0.00 C ATOM 323 O GLN A 25 -15.961 23.192 28.434 1.00 0.00 O ATOM 324 CB GLN A 25 -18.314 21.099 28.324 1.00 0.00 C ATOM 325 CG GLN A 25 -19.316 20.141 27.699 1.00 0.00 C ATOM 326 CD GLN A 25 -20.712 20.726 27.621 1.00 0.00 C ATOM 327 OE1 GLN A 25 -20.887 21.907 27.317 1.00 0.00 O ATOM 328 NE2 GLN A 25 -21.716 19.901 27.894 1.00 0.00 N ATOM 0 H GLN A 25 -16.817 19.159 27.722 1.00 0.00 H new ATOM 0 HA GLN A 25 -17.214 21.824 26.627 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -18.075 20.756 29.331 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -18.776 22.081 28.423 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -18.981 19.874 26.696 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -19.344 19.220 28.281 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -21.525 18.930 28.141 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -22.678 20.238 27.856 1.00 0.00 H new ATOM 337 N PHE A 26 -15.079 21.196 28.981 1.00 0.00 N ATOM 338 CA PHE A 26 -14.024 21.766 29.811 1.00 0.00 C ATOM 339 C PHE A 26 -12.659 21.588 29.152 1.00 0.00 C ATOM 340 O PHE A 26 -11.692 21.193 29.803 1.00 0.00 O ATOM 341 CB PHE A 26 -14.025 21.114 31.194 1.00 0.00 C ATOM 342 CG PHE A 26 -15.329 21.259 31.925 1.00 0.00 C ATOM 343 CD1 PHE A 26 -16.358 20.355 31.720 1.00 0.00 C ATOM 344 CD2 PHE A 26 -15.525 22.300 32.818 1.00 0.00 C ATOM 345 CE1 PHE A 26 -17.559 20.487 32.391 1.00 0.00 C ATOM 346 CE2 PHE A 26 -16.724 22.438 33.492 1.00 0.00 C ATOM 347 CZ PHE A 26 -17.742 21.529 33.279 1.00 0.00 C ATOM 0 H PHE A 26 -15.069 20.177 28.927 1.00 0.00 H new ATOM 0 HA PHE A 26 -14.219 22.833 29.921 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -13.794 20.054 31.087 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -13.230 21.555 31.795 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -16.220 19.537 31.028 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -14.731 23.012 32.990 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -18.354 19.776 32.221 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -16.865 23.255 34.184 1.00 0.00 H new ATOM 0 HZ PHE A 26 -18.679 21.633 33.806 1.00 0.00 H new ATOM 357 N TRP A 27 -12.590 21.883 27.859 1.00 0.00 N ATOM 358 CA TRP A 27 -11.344 21.755 27.112 1.00 0.00 C ATOM 359 C TRP A 27 -10.637 23.101 26.998 1.00 0.00 C ATOM 360 O TRP A 27 -11.253 24.152 27.173 1.00 0.00 O ATOM 361 CB TRP A 27 -11.617 21.188 25.718 1.00 0.00 C ATOM 362 CG TRP A 27 -11.715 19.693 25.693 1.00 0.00 C ATOM 363 CD1 TRP A 27 -11.714 18.853 26.771 1.00 0.00 C ATOM 364 CD2 TRP A 27 -11.826 18.860 24.534 1.00 0.00 C ATOM 365 NE1 TRP A 27 -11.818 17.549 26.351 1.00 0.00 N ATOM 366 CE2 TRP A 27 -11.889 17.527 24.983 1.00 0.00 C ATOM 367 CE3 TRP A 27 -11.880 19.111 23.160 1.00 0.00 C ATOM 368 CZ2 TRP A 27 -12.002 16.451 24.106 1.00 0.00 C ATOM 369 CZ3 TRP A 27 -11.992 18.043 22.291 1.00 0.00 C ATOM 370 CH2 TRP A 27 -12.053 16.726 22.767 1.00 0.00 C ATOM 0 H TRP A 27 -13.382 22.212 27.306 1.00 0.00 H new ATOM 0 HA TRP A 27 -10.693 21.069 27.654 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -12.546 21.612 25.337 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -10.822 21.504 25.043 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -11.642 19.168 27.802 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -11.839 16.730 26.959 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -11.835 20.123 22.784 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -12.048 15.435 24.470 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -12.033 18.226 21.227 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -12.142 15.912 22.063 1.00 0.00 H new ATOM 381 N SER A 28 -9.342 23.061 26.703 1.00 0.00 N ATOM 382 CA SER A 28 -8.551 24.279 26.568 1.00 0.00 C ATOM 383 C SER A 28 -8.241 24.566 25.102 1.00 0.00 C ATOM 384 O SER A 28 -8.396 23.700 24.241 1.00 0.00 O ATOM 385 CB SER A 28 -7.248 24.156 27.362 1.00 0.00 C ATOM 386 OG SER A 28 -6.783 25.429 27.777 1.00 0.00 O ATOM 0 H SER A 28 -8.818 22.199 26.553 1.00 0.00 H new ATOM 0 HA SER A 28 -9.135 25.108 26.967 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.408 23.522 28.234 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.489 23.670 26.749 1.00 0.00 H new ATOM 0 HG SER A 28 -5.951 25.324 28.284 1.00 0.00 H new ATOM 392 N LYS A 29 -7.802 25.789 24.826 1.00 0.00 N ATOM 393 CA LYS A 29 -7.468 26.194 23.465 1.00 0.00 C ATOM 394 C LYS A 29 -6.443 25.245 22.852 1.00 0.00 C ATOM 395 O LYS A 29 -6.378 25.089 21.632 1.00 0.00 O ATOM 396 CB LYS A 29 -6.925 27.625 23.455 1.00 0.00 C ATOM 397 CG LYS A 29 -8.010 28.687 23.414 1.00 0.00 C ATOM 398 CD LYS A 29 -7.620 29.914 24.220 1.00 0.00 C ATOM 399 CE LYS A 29 -8.782 30.885 24.355 1.00 0.00 C ATOM 400 NZ LYS A 29 -9.074 31.582 23.072 1.00 0.00 N ATOM 0 H LYS A 29 -7.669 26.518 25.527 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.378 26.154 22.866 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.312 27.778 24.343 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.272 27.751 22.591 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.200 28.975 22.380 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.940 28.274 23.805 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.283 29.608 25.211 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.780 30.415 23.739 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.670 30.345 24.685 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.552 31.622 25.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.872 32.235 23.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.235 32.118 22.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.318 30.881 22.344 1.00 0.00 H new ATOM 414 N THR A 30 -5.643 24.613 23.705 1.00 0.00 N ATOM 415 CA THR A 30 -4.622 23.679 23.247 1.00 0.00 C ATOM 416 C THR A 30 -5.199 22.281 23.060 1.00 0.00 C ATOM 417 O THR A 30 -4.923 21.615 22.063 1.00 0.00 O ATOM 418 CB THR A 30 -3.442 23.608 24.235 1.00 0.00 C ATOM 419 OG1 THR A 30 -3.121 24.920 24.710 1.00 0.00 O ATOM 420 CG2 THR A 30 -2.220 22.988 23.575 1.00 0.00 C ATOM 0 H THR A 30 -5.683 24.731 24.717 1.00 0.00 H new ATOM 0 HA THR A 30 -4.261 24.051 22.288 1.00 0.00 H new ATOM 0 HB THR A 30 -3.738 22.981 25.076 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.371 24.866 25.339 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.400 22.949 24.292 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.459 21.978 23.242 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.924 23.592 22.718 1.00 0.00 H new ATOM 428 N GLN A 31 -6.001 21.843 24.025 1.00 0.00 N ATOM 429 CA GLN A 31 -6.617 20.522 23.966 1.00 0.00 C ATOM 430 C GLN A 31 -7.387 20.339 22.663 1.00 0.00 C ATOM 431 O GLN A 31 -7.292 19.297 22.014 1.00 0.00 O ATOM 432 CB GLN A 31 -7.552 20.319 25.159 1.00 0.00 C ATOM 433 CG GLN A 31 -6.863 20.471 26.505 1.00 0.00 C ATOM 434 CD GLN A 31 -7.816 20.293 27.672 1.00 0.00 C ATOM 435 OE1 GLN A 31 -7.819 21.087 28.613 1.00 0.00 O ATOM 436 NE2 GLN A 31 -8.631 19.246 27.615 1.00 0.00 N ATOM 0 H GLN A 31 -6.240 22.383 24.857 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.823 19.776 24.005 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.369 21.037 25.096 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.995 19.325 25.097 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.059 19.739 26.582 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.403 21.457 26.564 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -8.594 18.614 26.815 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -9.294 19.074 28.371 1.00 0.00 H new ATOM 445 N VAL A 32 -8.152 21.359 22.285 1.00 0.00 N ATOM 446 CA VAL A 32 -8.939 21.311 21.059 1.00 0.00 C ATOM 447 C VAL A 32 -8.075 20.916 19.866 1.00 0.00 C ATOM 448 O VAL A 32 -8.249 19.843 19.287 1.00 0.00 O ATOM 449 CB VAL A 32 -9.608 22.667 20.768 1.00 0.00 C ATOM 450 CG1 VAL A 32 -10.401 22.604 19.471 1.00 0.00 C ATOM 451 CG2 VAL A 32 -10.501 23.080 21.928 1.00 0.00 C ATOM 0 H VAL A 32 -8.243 22.228 22.811 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.712 20.558 21.209 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.828 23.420 20.653 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -10.867 23.571 19.282 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -9.732 22.356 18.647 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -11.173 21.839 19.554 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -10.966 24.041 21.705 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -11.276 22.328 22.077 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.902 23.168 22.835 1.00 0.00 H new ATOM 461 N LEU A 33 -7.143 21.790 19.504 1.00 0.00 N ATOM 462 CA LEU A 33 -6.249 21.534 18.379 1.00 0.00 C ATOM 463 C LEU A 33 -5.546 20.189 18.538 1.00 0.00 C ATOM 464 O LEU A 33 -5.313 19.480 17.559 1.00 0.00 O ATOM 465 CB LEU A 33 -5.213 22.653 18.260 1.00 0.00 C ATOM 466 CG LEU A 33 -5.753 24.028 17.865 1.00 0.00 C ATOM 467 CD1 LEU A 33 -4.793 25.124 18.301 1.00 0.00 C ATOM 468 CD2 LEU A 33 -5.995 24.095 16.364 1.00 0.00 C ATOM 0 H LEU A 33 -6.986 22.682 19.973 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.849 21.505 17.469 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.699 22.748 19.216 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.466 22.353 17.525 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.704 24.183 18.374 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.194 26.095 18.011 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.670 25.090 19.383 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.826 24.973 17.821 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.379 25.081 16.101 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.058 23.918 15.836 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.722 23.334 16.078 1.00 0.00 H new ATOM 480 N ASP A 34 -5.214 19.844 19.777 1.00 0.00 N ATOM 481 CA ASP A 34 -4.540 18.583 20.065 1.00 0.00 C ATOM 482 C ASP A 34 -5.451 17.399 19.759 1.00 0.00 C ATOM 483 O ASP A 34 -4.983 16.321 19.392 1.00 0.00 O ATOM 484 CB ASP A 34 -4.099 18.539 21.528 1.00 0.00 C ATOM 485 CG ASP A 34 -2.756 19.207 21.749 1.00 0.00 C ATOM 486 OD1 ASP A 34 -2.563 20.331 21.241 1.00 0.00 O ATOM 487 OD2 ASP A 34 -1.897 18.605 22.428 1.00 0.00 O ATOM 0 H ASP A 34 -5.400 20.420 20.598 1.00 0.00 H new ATOM 0 HA ASP A 34 -3.659 18.515 19.426 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.851 19.029 22.146 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.044 17.501 21.857 1.00 0.00 H new ATOM 492 N TRP A 35 -6.754 17.606 19.914 1.00 0.00 N ATOM 493 CA TRP A 35 -7.731 16.554 19.655 1.00 0.00 C ATOM 494 C TRP A 35 -7.960 16.380 18.158 1.00 0.00 C ATOM 495 O TRP A 35 -8.238 15.276 17.687 1.00 0.00 O ATOM 496 CB TRP A 35 -9.054 16.876 20.351 1.00 0.00 C ATOM 497 CG TRP A 35 -10.167 15.946 19.972 1.00 0.00 C ATOM 498 CD1 TRP A 35 -10.360 14.672 20.425 1.00 0.00 C ATOM 499 CD2 TRP A 35 -11.238 16.217 19.062 1.00 0.00 C ATOM 500 NE1 TRP A 35 -11.486 14.135 19.850 1.00 0.00 N ATOM 501 CE2 TRP A 35 -12.044 15.063 19.011 1.00 0.00 C ATOM 502 CE3 TRP A 35 -11.596 17.323 18.287 1.00 0.00 C ATOM 503 CZ2 TRP A 35 -13.183 14.986 18.214 1.00 0.00 C ATOM 504 CZ3 TRP A 35 -12.727 17.245 17.496 1.00 0.00 C ATOM 505 CH2 TRP A 35 -13.510 16.083 17.465 1.00 0.00 C ATOM 0 H TRP A 35 -7.158 18.492 20.217 1.00 0.00 H new ATOM 0 HA TRP A 35 -7.336 15.620 20.054 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -8.908 16.835 21.430 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -9.345 17.898 20.107 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -9.721 14.162 21.131 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -11.848 13.197 20.020 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -11.000 18.223 18.306 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -13.787 14.091 18.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -13.012 18.094 16.892 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -14.389 16.053 16.838 1.00 0.00 H new ATOM 516 N ILE A 36 -7.840 17.474 17.414 1.00 0.00 N ATOM 517 CA ILE A 36 -8.033 17.441 15.969 1.00 0.00 C ATOM 518 C ILE A 36 -7.027 16.508 15.302 1.00 0.00 C ATOM 519 O ILE A 36 -7.401 15.628 14.527 1.00 0.00 O ATOM 520 CB ILE A 36 -7.902 18.845 15.351 1.00 0.00 C ATOM 521 CG1 ILE A 36 -8.922 19.799 15.976 1.00 0.00 C ATOM 522 CG2 ILE A 36 -8.086 18.779 13.842 1.00 0.00 C ATOM 523 CD1 ILE A 36 -8.845 21.208 15.431 1.00 0.00 C ATOM 0 H ILE A 36 -7.610 18.395 17.788 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.042 17.069 15.794 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.902 19.225 15.559 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.925 19.407 15.807 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.768 19.826 17.055 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -7.991 19.779 13.420 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.325 18.129 13.411 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.075 18.381 13.613 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.597 21.829 15.919 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.854 21.619 15.624 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.029 21.193 14.357 1.00 0.00 H new ATOM 535 N SER A 37 -5.750 16.706 15.611 1.00 0.00 N ATOM 536 CA SER A 37 -4.689 15.883 15.040 1.00 0.00 C ATOM 537 C SER A 37 -4.996 14.400 15.219 1.00 0.00 C ATOM 538 O SER A 37 -4.700 13.583 14.347 1.00 0.00 O ATOM 539 CB SER A 37 -3.347 16.220 15.692 1.00 0.00 C ATOM 540 OG SER A 37 -2.357 15.268 15.343 1.00 0.00 O ATOM 0 H SER A 37 -5.424 17.429 16.253 1.00 0.00 H new ATOM 0 HA SER A 37 -4.631 16.098 13.973 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.027 17.214 15.379 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.463 16.249 16.775 1.00 0.00 H new ATOM 0 HG SER A 37 -1.508 15.507 15.771 1.00 0.00 H new ATOM 546 N TYR A 38 -5.592 14.059 16.356 1.00 0.00 N ATOM 547 CA TYR A 38 -5.938 12.673 16.652 1.00 0.00 C ATOM 548 C TYR A 38 -6.924 12.126 15.625 1.00 0.00 C ATOM 549 O TYR A 38 -6.746 11.026 15.103 1.00 0.00 O ATOM 550 CB TYR A 38 -6.534 12.563 18.056 1.00 0.00 C ATOM 551 CG TYR A 38 -7.683 11.585 18.152 1.00 0.00 C ATOM 552 CD1 TYR A 38 -7.472 10.219 18.005 1.00 0.00 C ATOM 553 CD2 TYR A 38 -8.979 12.025 18.388 1.00 0.00 C ATOM 554 CE1 TYR A 38 -8.518 9.321 18.090 1.00 0.00 C ATOM 555 CE2 TYR A 38 -10.031 11.134 18.476 1.00 0.00 C ATOM 556 CZ TYR A 38 -9.796 9.784 18.327 1.00 0.00 C ATOM 557 OH TYR A 38 -10.841 8.893 18.413 1.00 0.00 O ATOM 0 H TYR A 38 -5.846 14.723 17.088 1.00 0.00 H new ATOM 0 HA TYR A 38 -5.025 12.079 16.604 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.751 12.260 18.751 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -6.878 13.547 18.373 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -6.473 9.853 17.821 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -9.168 13.082 18.505 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -8.337 8.263 17.972 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -11.033 11.493 18.661 1.00 0.00 H new ATOM 0 HH TYR A 38 -11.674 9.381 18.584 1.00 0.00 H new ATOM 567 N GLN A 39 -7.964 12.904 15.339 1.00 0.00 N ATOM 568 CA GLN A 39 -8.979 12.498 14.374 1.00 0.00 C ATOM 569 C GLN A 39 -8.463 12.648 12.947 1.00 0.00 C ATOM 570 O GLN A 39 -8.948 11.987 12.028 1.00 0.00 O ATOM 571 CB GLN A 39 -10.250 13.329 14.560 1.00 0.00 C ATOM 572 CG GLN A 39 -11.286 12.664 15.451 1.00 0.00 C ATOM 573 CD GLN A 39 -12.450 12.092 14.666 1.00 0.00 C ATOM 574 OE1 GLN A 39 -13.119 12.805 13.917 1.00 0.00 O ATOM 575 NE2 GLN A 39 -12.699 10.799 14.834 1.00 0.00 N ATOM 0 H GLN A 39 -8.125 13.818 15.762 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.212 11.447 14.548 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.983 14.296 14.987 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -10.694 13.523 13.583 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -10.811 11.866 16.022 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -11.661 13.391 16.171 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -12.119 10.246 15.465 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -13.470 10.359 14.332 1.00 0.00 H new ATOM 584 N VAL A 40 -7.478 13.522 12.767 1.00 0.00 N ATOM 585 CA VAL A 40 -6.896 13.758 11.451 1.00 0.00 C ATOM 586 C VAL A 40 -5.917 12.650 11.076 1.00 0.00 C ATOM 587 O VAL A 40 -5.709 12.367 9.897 1.00 0.00 O ATOM 588 CB VAL A 40 -6.166 15.113 11.395 1.00 0.00 C ATOM 589 CG1 VAL A 40 -5.517 15.315 10.034 1.00 0.00 C ATOM 590 CG2 VAL A 40 -7.127 16.249 11.711 1.00 0.00 C ATOM 0 H VAL A 40 -7.066 14.078 13.516 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.720 13.768 10.738 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.379 15.113 12.149 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.006 16.278 10.014 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.796 14.518 9.853 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.283 15.294 9.259 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.594 17.199 11.667 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.938 16.253 10.982 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -7.539 16.110 12.711 1.00 0.00 H new ATOM 600 N GLU A 41 -5.321 12.027 12.088 1.00 0.00 N ATOM 601 CA GLU A 41 -4.364 10.950 11.864 1.00 0.00 C ATOM 602 C GLU A 41 -5.064 9.595 11.850 1.00 0.00 C ATOM 603 O GLU A 41 -4.584 8.641 11.236 1.00 0.00 O ATOM 604 CB GLU A 41 -3.281 10.967 12.944 1.00 0.00 C ATOM 605 CG GLU A 41 -2.196 9.923 12.736 1.00 0.00 C ATOM 606 CD GLU A 41 -1.718 9.858 11.298 1.00 0.00 C ATOM 607 OE1 GLU A 41 -1.236 10.891 10.787 1.00 0.00 O ATOM 608 OE2 GLU A 41 -1.826 8.776 10.685 1.00 0.00 O ATOM 0 H GLU A 41 -5.484 12.249 13.070 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.898 11.109 10.891 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.822 11.955 12.971 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.747 10.806 13.916 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.351 10.148 13.386 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.576 8.945 13.034 1.00 0.00 H new ATOM 615 N LYS A 42 -6.201 9.516 12.533 1.00 0.00 N ATOM 616 CA LYS A 42 -6.969 8.279 12.600 1.00 0.00 C ATOM 617 C LYS A 42 -7.630 7.974 11.260 1.00 0.00 C ATOM 618 O LYS A 42 -7.515 6.867 10.738 1.00 0.00 O ATOM 619 CB LYS A 42 -8.034 8.374 13.696 1.00 0.00 C ATOM 620 CG LYS A 42 -7.851 7.360 14.812 1.00 0.00 C ATOM 621 CD LYS A 42 -6.692 7.734 15.720 1.00 0.00 C ATOM 622 CE LYS A 42 -5.426 6.976 15.349 1.00 0.00 C ATOM 623 NZ LYS A 42 -5.021 6.017 16.414 1.00 0.00 N ATOM 0 H LYS A 42 -6.611 10.295 13.048 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.282 7.467 12.839 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.017 9.377 14.122 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.018 8.235 13.248 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.767 7.294 15.399 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.675 6.373 14.383 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.508 8.806 15.654 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.956 7.519 16.756 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.586 6.436 14.416 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.617 7.685 15.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.155 5.521 16.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.843 6.535 17.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.782 5.325 16.566 1.00 0.00 H new ATOM 637 N ASN A 43 -8.321 8.966 10.707 1.00 0.00 N ATOM 638 CA ASN A 43 -9.000 8.804 9.427 1.00 0.00 C ATOM 639 C ASN A 43 -8.024 8.984 8.268 1.00 0.00 C ATOM 640 O ASN A 43 -8.402 8.877 7.101 1.00 0.00 O ATOM 641 CB ASN A 43 -10.147 9.809 9.303 1.00 0.00 C ATOM 642 CG ASN A 43 -11.394 9.357 10.039 1.00 0.00 C ATOM 643 OD1 ASN A 43 -12.204 8.600 9.503 1.00 0.00 O ATOM 644 ND2 ASN A 43 -11.553 9.820 11.273 1.00 0.00 N ATOM 0 H ASN A 43 -8.425 9.890 11.126 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.406 7.793 9.384 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -9.826 10.773 9.697 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.384 9.958 8.249 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -12.372 9.550 11.817 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.856 10.445 11.677 1.00 0.00 H new ATOM 651 N LYS A 44 -6.767 9.258 8.597 1.00 0.00 N ATOM 652 CA LYS A 44 -5.735 9.452 7.586 1.00 0.00 C ATOM 653 C LYS A 44 -6.046 10.666 6.716 1.00 0.00 C ATOM 654 O LYS A 44 -5.544 10.785 5.598 1.00 0.00 O ATOM 655 CB LYS A 44 -5.610 8.203 6.710 1.00 0.00 C ATOM 656 CG LYS A 44 -4.318 7.435 6.927 1.00 0.00 C ATOM 657 CD LYS A 44 -4.523 5.938 6.761 1.00 0.00 C ATOM 658 CE LYS A 44 -3.728 5.393 5.585 1.00 0.00 C ATOM 659 NZ LYS A 44 -3.227 4.015 5.845 1.00 0.00 N ATOM 0 H LYS A 44 -6.438 9.351 9.558 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.789 9.627 8.098 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.454 7.543 6.911 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.677 8.496 5.662 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.565 7.781 6.219 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.934 7.642 7.926 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.221 5.425 7.674 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.583 5.729 6.613 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.355 5.389 4.693 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.885 6.053 5.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.690 3.679 5.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.608 4.023 6.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.032 3.379 6.016 1.00 0.00 H new ATOM 673 N TYR A 45 -6.874 11.564 7.237 1.00 0.00 N ATOM 674 CA TYR A 45 -7.252 12.769 6.508 1.00 0.00 C ATOM 675 C TYR A 45 -6.017 13.513 6.009 1.00 0.00 C ATOM 676 O TYR A 45 -5.034 13.664 6.734 1.00 0.00 O ATOM 677 CB TYR A 45 -8.090 13.687 7.398 1.00 0.00 C ATOM 678 CG TYR A 45 -8.727 14.837 6.652 1.00 0.00 C ATOM 679 CD1 TYR A 45 -9.501 14.613 5.519 1.00 0.00 C ATOM 680 CD2 TYR A 45 -8.556 16.149 7.078 1.00 0.00 C ATOM 681 CE1 TYR A 45 -10.085 15.660 4.834 1.00 0.00 C ATOM 682 CE2 TYR A 45 -9.137 17.202 6.399 1.00 0.00 C ATOM 683 CZ TYR A 45 -9.900 16.953 5.278 1.00 0.00 C ATOM 684 OH TYR A 45 -10.480 18.000 4.598 1.00 0.00 O ATOM 0 H TYR A 45 -7.297 11.481 8.162 1.00 0.00 H new ATOM 0 HA TYR A 45 -7.847 12.470 5.645 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -8.872 13.099 7.878 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.458 14.085 8.192 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -9.648 13.602 5.168 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.958 16.348 7.955 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.683 15.468 3.956 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.994 18.215 6.744 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.557 17.771 3.648 1.00 0.00 H new ATOM 694 N ASP A 46 -6.077 13.978 4.766 1.00 0.00 N ATOM 695 CA ASP A 46 -4.966 14.709 4.168 1.00 0.00 C ATOM 696 C ASP A 46 -4.523 15.857 5.070 1.00 0.00 C ATOM 697 O ASP A 46 -3.345 16.212 5.106 1.00 0.00 O ATOM 698 CB ASP A 46 -5.363 15.248 2.793 1.00 0.00 C ATOM 699 CG ASP A 46 -4.387 14.840 1.707 1.00 0.00 C ATOM 700 OD1 ASP A 46 -4.575 13.755 1.118 1.00 0.00 O ATOM 701 OD2 ASP A 46 -3.437 15.606 1.445 1.00 0.00 O ATOM 0 H ASP A 46 -6.884 13.862 4.153 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.130 14.019 4.051 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -6.359 14.885 2.538 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.421 16.336 2.835 1.00 0.00 H new ATOM 706 N ALA A 47 -5.475 16.433 5.796 1.00 0.00 N ATOM 707 CA ALA A 47 -5.183 17.540 6.698 1.00 0.00 C ATOM 708 C ALA A 47 -4.686 18.759 5.929 1.00 0.00 C ATOM 709 O ALA A 47 -3.994 19.614 6.482 1.00 0.00 O ATOM 710 CB ALA A 47 -4.157 17.116 7.739 1.00 0.00 C ATOM 0 H ALA A 47 -6.455 16.151 5.777 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.107 17.816 7.206 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.948 17.952 8.406 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.550 16.280 8.318 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.237 16.812 7.240 1.00 0.00 H new ATOM 716 N SER A 48 -5.044 18.833 4.651 1.00 0.00 N ATOM 717 CA SER A 48 -4.630 19.946 3.805 1.00 0.00 C ATOM 718 C SER A 48 -5.802 20.883 3.528 1.00 0.00 C ATOM 719 O SER A 48 -5.831 21.575 2.510 1.00 0.00 O ATOM 720 CB SER A 48 -4.056 19.425 2.486 1.00 0.00 C ATOM 721 OG SER A 48 -3.330 18.225 2.684 1.00 0.00 O ATOM 0 H SER A 48 -5.620 18.136 4.179 1.00 0.00 H new ATOM 0 HA SER A 48 -3.858 20.505 4.334 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.866 19.251 1.777 1.00 0.00 H new ATOM 0 HB3 SER A 48 -3.404 20.180 2.046 1.00 0.00 H new ATOM 0 HG SER A 48 -3.658 17.539 2.066 1.00 0.00 H new ATOM 727 N ALA A 49 -6.768 20.898 4.441 1.00 0.00 N ATOM 728 CA ALA A 49 -7.941 21.751 4.297 1.00 0.00 C ATOM 729 C ALA A 49 -8.187 22.565 5.563 1.00 0.00 C ATOM 730 O ALA A 49 -8.562 23.736 5.496 1.00 0.00 O ATOM 731 CB ALA A 49 -9.165 20.912 3.962 1.00 0.00 C ATOM 0 H ALA A 49 -6.761 20.329 5.288 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.755 22.447 3.479 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -10.034 21.562 3.857 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.996 20.379 3.027 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.344 20.193 4.762 1.00 0.00 H new ATOM 737 N ILE A 50 -7.974 21.938 6.715 1.00 0.00 N ATOM 738 CA ILE A 50 -8.172 22.605 7.996 1.00 0.00 C ATOM 739 C ILE A 50 -7.344 23.882 8.084 1.00 0.00 C ATOM 740 O ILE A 50 -6.126 23.858 7.907 1.00 0.00 O ATOM 741 CB ILE A 50 -7.802 21.684 9.173 1.00 0.00 C ATOM 742 CG1 ILE A 50 -8.642 20.406 9.133 1.00 0.00 C ATOM 743 CG2 ILE A 50 -7.996 22.411 10.495 1.00 0.00 C ATOM 744 CD1 ILE A 50 -8.204 19.363 10.138 1.00 0.00 C ATOM 0 H ILE A 50 -7.664 20.969 6.788 1.00 0.00 H new ATOM 0 HA ILE A 50 -9.231 22.856 8.061 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.751 21.408 9.083 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -9.686 20.661 9.318 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.591 19.978 8.132 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.730 21.747 11.318 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.358 23.295 10.521 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -9.039 22.713 10.595 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -8.844 18.485 10.053 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.170 19.079 9.941 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.282 19.773 11.145 1.00 0.00 H new ATOM 756 N ASP A 51 -8.012 24.996 8.360 1.00 0.00 N ATOM 757 CA ASP A 51 -7.338 26.284 8.475 1.00 0.00 C ATOM 758 C ASP A 51 -6.523 26.357 9.762 1.00 0.00 C ATOM 759 O ASP A 51 -5.471 26.996 9.808 1.00 0.00 O ATOM 760 CB ASP A 51 -8.358 27.423 8.438 1.00 0.00 C ATOM 761 CG ASP A 51 -7.896 28.586 7.582 1.00 0.00 C ATOM 762 OD1 ASP A 51 -7.420 28.340 6.454 1.00 0.00 O ATOM 763 OD2 ASP A 51 -8.010 29.742 8.040 1.00 0.00 O ATOM 0 H ASP A 51 -9.020 25.033 8.508 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.659 26.388 7.629 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -9.305 27.046 8.053 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.543 27.774 9.453 1.00 0.00 H new ATOM 768 N PHE A 52 -7.016 25.701 10.808 1.00 0.00 N ATOM 769 CA PHE A 52 -6.334 25.693 12.097 1.00 0.00 C ATOM 770 C PHE A 52 -6.105 27.116 12.599 1.00 0.00 C ATOM 771 O PHE A 52 -5.186 27.370 13.377 1.00 0.00 O ATOM 772 CB PHE A 52 -4.996 24.958 11.986 1.00 0.00 C ATOM 773 CG PHE A 52 -5.135 23.463 11.951 1.00 0.00 C ATOM 774 CD1 PHE A 52 -5.705 22.782 13.015 1.00 0.00 C ATOM 775 CD2 PHE A 52 -4.695 22.739 10.855 1.00 0.00 C ATOM 776 CE1 PHE A 52 -5.834 21.407 12.986 1.00 0.00 C ATOM 777 CE2 PHE A 52 -4.823 21.363 10.821 1.00 0.00 C ATOM 778 CZ PHE A 52 -5.392 20.696 11.888 1.00 0.00 C ATOM 0 H PHE A 52 -7.885 25.168 10.788 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.969 25.171 12.813 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.483 25.288 11.083 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.366 25.237 12.831 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -6.052 23.333 13.877 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.247 23.255 10.018 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.280 20.888 13.822 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.478 20.810 9.960 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.491 19.621 11.864 1.00 0.00 H new ATOM 788 N SER A 53 -6.948 28.039 12.148 1.00 0.00 N ATOM 789 CA SER A 53 -6.836 29.437 12.548 1.00 0.00 C ATOM 790 C SER A 53 -8.166 29.956 13.086 1.00 0.00 C ATOM 791 O SER A 53 -8.202 30.725 14.047 1.00 0.00 O ATOM 792 CB SER A 53 -6.382 30.293 11.364 1.00 0.00 C ATOM 793 OG SER A 53 -5.124 30.893 11.621 1.00 0.00 O ATOM 0 H SER A 53 -7.716 27.844 11.506 1.00 0.00 H new ATOM 0 HA SER A 53 -6.092 29.504 13.342 1.00 0.00 H new ATOM 0 HB2 SER A 53 -6.318 29.675 10.468 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.124 31.067 11.165 1.00 0.00 H new ATOM 0 HG SER A 53 -4.855 31.433 10.849 1.00 0.00 H new ATOM 799 N ARG A 54 -9.258 29.531 12.458 1.00 0.00 N ATOM 800 CA ARG A 54 -10.590 29.953 12.872 1.00 0.00 C ATOM 801 C ARG A 54 -11.030 29.211 14.130 1.00 0.00 C ATOM 802 O ARG A 54 -11.883 29.688 14.878 1.00 0.00 O ATOM 803 CB ARG A 54 -11.597 29.711 11.746 1.00 0.00 C ATOM 804 CG ARG A 54 -11.297 30.497 10.480 1.00 0.00 C ATOM 805 CD ARG A 54 -12.537 31.202 9.954 1.00 0.00 C ATOM 806 NE ARG A 54 -12.208 32.442 9.256 1.00 0.00 N ATOM 807 CZ ARG A 54 -11.838 33.557 9.875 1.00 0.00 C ATOM 808 NH1 ARG A 54 -11.749 33.588 11.198 1.00 0.00 N ATOM 809 NH2 ARG A 54 -11.554 34.646 9.170 1.00 0.00 N ATOM 0 H ARG A 54 -9.246 28.895 11.661 1.00 0.00 H new ATOM 0 HA ARG A 54 -10.553 31.019 13.095 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.614 28.648 11.508 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -12.594 29.974 12.099 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -10.518 31.232 10.683 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.909 29.824 9.716 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.073 30.536 9.277 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.209 31.421 10.784 1.00 0.00 H new ATOM 0 HE ARG A 54 -12.266 32.452 8.238 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -11.965 32.754 11.743 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -11.464 34.446 11.670 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -11.620 34.626 8.152 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -11.270 35.502 9.646 1.00 0.00 H new ATOM 823 N CYS A 55 -10.442 28.041 14.356 1.00 0.00 N ATOM 824 CA CYS A 55 -10.773 27.232 15.524 1.00 0.00 C ATOM 825 C CYS A 55 -10.175 27.834 16.791 1.00 0.00 C ATOM 826 O CYS A 55 -9.179 27.338 17.316 1.00 0.00 O ATOM 827 CB CYS A 55 -10.268 25.800 15.338 1.00 0.00 C ATOM 828 SG CYS A 55 -10.689 24.687 16.698 1.00 0.00 S ATOM 0 H CYS A 55 -9.734 27.632 13.746 1.00 0.00 H new ATOM 0 HA CYS A 55 -11.858 27.217 15.628 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -10.681 25.398 14.413 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -9.184 25.820 15.222 1.00 0.00 H new ATOM 0 HG CYS A 55 -11.164 23.576 16.218 1.00 0.00 H new ATOM 834 N ASP A 56 -10.789 28.908 17.276 1.00 0.00 N ATOM 835 CA ASP A 56 -10.317 29.579 18.481 1.00 0.00 C ATOM 836 C ASP A 56 -11.105 29.118 19.704 1.00 0.00 C ATOM 837 O ASP A 56 -10.972 29.683 20.789 1.00 0.00 O ATOM 838 CB ASP A 56 -10.436 31.096 18.326 1.00 0.00 C ATOM 839 CG ASP A 56 -9.809 31.597 17.039 1.00 0.00 C ATOM 840 OD1 ASP A 56 -8.592 31.389 16.853 1.00 0.00 O ATOM 841 OD2 ASP A 56 -10.535 32.197 16.219 1.00 0.00 O ATOM 0 H ASP A 56 -11.615 29.332 16.853 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.269 29.317 18.626 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -11.488 31.379 18.349 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.956 31.584 19.175 1.00 0.00 H new ATOM 846 N MET A 57 -11.925 28.089 19.519 1.00 0.00 N ATOM 847 CA MET A 57 -12.734 27.552 20.608 1.00 0.00 C ATOM 848 C MET A 57 -11.859 26.844 21.637 1.00 0.00 C ATOM 849 O MET A 57 -11.089 25.945 21.298 1.00 0.00 O ATOM 850 CB MET A 57 -13.784 26.583 20.061 1.00 0.00 C ATOM 851 CG MET A 57 -14.705 27.206 19.025 1.00 0.00 C ATOM 852 SD MET A 57 -14.238 26.781 17.336 1.00 0.00 S ATOM 853 CE MET A 57 -15.368 25.433 17.001 1.00 0.00 C ATOM 0 H MET A 57 -12.047 27.610 18.627 1.00 0.00 H new ATOM 0 HA MET A 57 -13.238 28.385 21.098 1.00 0.00 H new ATOM 0 HB2 MET A 57 -13.279 25.725 19.617 1.00 0.00 H new ATOM 0 HB3 MET A 57 -14.384 26.206 20.889 1.00 0.00 H new ATOM 0 HG2 MET A 57 -15.728 26.877 19.209 1.00 0.00 H new ATOM 0 HG3 MET A 57 -14.694 28.290 19.139 1.00 0.00 H new ATOM 0 HE1 MET A 57 -15.793 25.554 16.005 1.00 0.00 H new ATOM 0 HE2 MET A 57 -14.831 24.486 17.054 1.00 0.00 H new ATOM 0 HE3 MET A 57 -16.169 25.437 17.740 1.00 0.00 H new ATOM 863 N ASP A 58 -11.981 27.256 22.894 1.00 0.00 N ATOM 864 CA ASP A 58 -11.201 26.660 23.973 1.00 0.00 C ATOM 865 C ASP A 58 -11.736 25.277 24.330 1.00 0.00 C ATOM 866 O ASP A 58 -10.970 24.329 24.498 1.00 0.00 O ATOM 867 CB ASP A 58 -11.225 27.563 25.207 1.00 0.00 C ATOM 868 CG ASP A 58 -12.634 27.838 25.697 1.00 0.00 C ATOM 869 OD1 ASP A 58 -13.418 28.446 24.938 1.00 0.00 O ATOM 870 OD2 ASP A 58 -12.952 27.443 26.838 1.00 0.00 O ATOM 0 H ASP A 58 -12.612 28.000 23.191 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.172 26.555 23.629 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.650 27.096 26.007 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.734 28.508 24.972 1.00 0.00 H new ATOM 875 N GLY A 59 -13.056 25.169 24.444 1.00 0.00 N ATOM 876 CA GLY A 59 -13.670 23.898 24.781 1.00 0.00 C ATOM 877 C GLY A 59 -15.184 23.967 24.780 1.00 0.00 C ATOM 878 O GLY A 59 -15.848 23.176 24.110 1.00 0.00 O ATOM 0 H GLY A 59 -13.711 25.939 24.309 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -13.344 23.140 24.069 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -13.325 23.581 25.765 1.00 0.00 H new ATOM 882 N ALA A 60 -15.732 24.914 25.534 1.00 0.00 N ATOM 883 CA ALA A 60 -17.178 25.084 25.617 1.00 0.00 C ATOM 884 C ALA A 60 -17.736 25.678 24.328 1.00 0.00 C ATOM 885 O ALA A 60 -18.908 25.488 24.000 1.00 0.00 O ATOM 886 CB ALA A 60 -17.539 25.963 26.805 1.00 0.00 C ATOM 0 H ALA A 60 -15.197 25.575 26.096 1.00 0.00 H new ATOM 0 HA ALA A 60 -17.627 24.101 25.757 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -18.621 26.081 26.855 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -17.182 25.497 27.724 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -17.072 26.941 26.689 1.00 0.00 H new ATOM 892 N THR A 61 -16.889 26.399 23.599 1.00 0.00 N ATOM 893 CA THR A 61 -17.298 27.023 22.347 1.00 0.00 C ATOM 894 C THR A 61 -17.321 26.009 21.209 1.00 0.00 C ATOM 895 O THR A 61 -18.044 26.178 20.227 1.00 0.00 O ATOM 896 CB THR A 61 -16.361 28.185 21.966 1.00 0.00 C ATOM 897 OG1 THR A 61 -16.226 29.087 23.069 1.00 0.00 O ATOM 898 CG2 THR A 61 -16.894 28.934 20.754 1.00 0.00 C ATOM 0 H THR A 61 -15.916 26.565 23.855 1.00 0.00 H new ATOM 0 HA THR A 61 -18.304 27.413 22.502 1.00 0.00 H new ATOM 0 HB THR A 61 -15.385 27.769 21.716 1.00 0.00 H new ATOM 0 HG1 THR A 61 -15.628 29.822 22.819 1.00 0.00 H new ATOM 0 HG21 THR A 61 -16.216 29.750 20.503 1.00 0.00 H new ATOM 0 HG22 THR A 61 -16.968 28.251 19.908 1.00 0.00 H new ATOM 0 HG23 THR A 61 -17.880 29.339 20.981 1.00 0.00 H new ATOM 906 N LEU A 62 -16.525 24.954 21.348 1.00 0.00 N ATOM 907 CA LEU A 62 -16.454 23.911 20.331 1.00 0.00 C ATOM 908 C LEU A 62 -17.676 23.001 20.397 1.00 0.00 C ATOM 909 O LEU A 62 -18.353 22.779 19.393 1.00 0.00 O ATOM 910 CB LEU A 62 -15.179 23.084 20.508 1.00 0.00 C ATOM 911 CG LEU A 62 -14.994 21.919 19.535 1.00 0.00 C ATOM 912 CD1 LEU A 62 -14.114 22.334 18.366 1.00 0.00 C ATOM 913 CD2 LEU A 62 -14.398 20.716 20.252 1.00 0.00 C ATOM 0 H LEU A 62 -15.920 24.799 22.155 1.00 0.00 H new ATOM 0 HA LEU A 62 -16.435 24.393 19.353 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -14.322 23.750 20.413 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -15.164 22.689 21.524 1.00 0.00 H new ATOM 0 HG LEU A 62 -15.972 21.638 19.145 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -13.994 21.492 17.684 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -14.580 23.165 17.837 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -13.137 22.642 18.738 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -14.273 19.896 19.545 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -13.428 20.985 20.670 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -15.065 20.404 21.055 1.00 0.00 H new ATOM 925 N CYS A 63 -17.954 22.478 21.587 1.00 0.00 N ATOM 926 CA CYS A 63 -19.097 21.593 21.785 1.00 0.00 C ATOM 927 C CYS A 63 -20.406 22.326 21.512 1.00 0.00 C ATOM 928 O CYS A 63 -21.412 21.711 21.162 1.00 0.00 O ATOM 929 CB CYS A 63 -19.096 21.038 23.210 1.00 0.00 C ATOM 930 SG CYS A 63 -19.353 22.289 24.490 1.00 0.00 S ATOM 0 H CYS A 63 -17.404 22.651 22.428 1.00 0.00 H new ATOM 0 HA CYS A 63 -19.012 20.766 21.080 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -19.876 20.282 23.294 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -18.145 20.537 23.393 1.00 0.00 H new ATOM 0 HG CYS A 63 -20.376 23.027 24.176 1.00 0.00 H new ATOM 936 N ASN A 64 -20.386 23.645 21.677 1.00 0.00 N ATOM 937 CA ASN A 64 -21.572 24.462 21.451 1.00 0.00 C ATOM 938 C ASN A 64 -21.737 24.783 19.969 1.00 0.00 C ATOM 939 O ASN A 64 -22.849 25.021 19.495 1.00 0.00 O ATOM 940 CB ASN A 64 -21.486 25.759 22.258 1.00 0.00 C ATOM 941 CG ASN A 64 -21.903 25.569 23.704 1.00 0.00 C ATOM 942 OD1 ASN A 64 -21.823 24.466 24.245 1.00 0.00 O ATOM 943 ND2 ASN A 64 -22.351 26.647 24.337 1.00 0.00 N ATOM 0 H ASN A 64 -19.561 24.170 21.966 1.00 0.00 H new ATOM 0 HA ASN A 64 -22.442 23.894 21.781 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -20.464 26.138 22.224 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -22.122 26.514 21.796 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -22.646 26.581 25.311 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -22.400 27.541 23.849 1.00 0.00 H new ATOM 950 N CYS A 65 -20.625 24.786 19.243 1.00 0.00 N ATOM 951 CA CYS A 65 -20.646 25.077 17.813 1.00 0.00 C ATOM 952 C CYS A 65 -21.664 24.199 17.094 1.00 0.00 C ATOM 953 O CYS A 65 -22.199 23.252 17.670 1.00 0.00 O ATOM 954 CB CYS A 65 -19.257 24.868 17.209 1.00 0.00 C ATOM 955 SG CYS A 65 -18.587 26.325 16.374 1.00 0.00 S ATOM 0 H CYS A 65 -19.698 24.590 19.620 1.00 0.00 H new ATOM 0 HA CYS A 65 -20.938 26.119 17.684 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -18.570 24.568 18.000 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -19.303 24.044 16.497 1.00 0.00 H new ATOM 0 HG CYS A 65 -19.554 26.984 15.808 1.00 0.00 H new ATOM 961 N ALA A 66 -21.930 24.522 15.833 1.00 0.00 N ATOM 962 CA ALA A 66 -22.884 23.763 15.035 1.00 0.00 C ATOM 963 C ALA A 66 -22.169 22.814 14.079 1.00 0.00 C ATOM 964 O ALA A 66 -20.991 22.998 13.771 1.00 0.00 O ATOM 965 CB ALA A 66 -23.795 24.706 14.262 1.00 0.00 C ATOM 0 H ALA A 66 -21.498 25.305 15.342 1.00 0.00 H new ATOM 0 HA ALA A 66 -23.491 23.164 15.714 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -24.502 24.125 13.670 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -24.341 25.339 14.961 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -23.195 25.330 13.600 1.00 0.00 H new ATOM 971 N LEU A 67 -22.887 21.798 13.613 1.00 0.00 N ATOM 972 CA LEU A 67 -22.320 20.819 12.692 1.00 0.00 C ATOM 973 C LEU A 67 -21.667 21.508 11.499 1.00 0.00 C ATOM 974 O LEU A 67 -20.468 21.360 11.265 1.00 0.00 O ATOM 975 CB LEU A 67 -23.406 19.856 12.208 1.00 0.00 C ATOM 976 CG LEU A 67 -23.068 19.033 10.965 1.00 0.00 C ATOM 977 CD1 LEU A 67 -21.739 18.316 11.145 1.00 0.00 C ATOM 978 CD2 LEU A 67 -24.178 18.036 10.667 1.00 0.00 C ATOM 0 H LEU A 67 -23.863 21.631 13.858 1.00 0.00 H new ATOM 0 HA LEU A 67 -21.555 20.255 13.226 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -23.643 19.169 13.021 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -24.309 20.431 12.004 1.00 0.00 H new ATOM 0 HG LEU A 67 -22.979 19.712 10.117 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -21.515 17.735 10.250 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -20.949 19.049 11.309 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -21.799 17.649 12.005 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -23.920 17.459 9.779 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -24.299 17.362 11.515 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -25.111 18.572 10.493 1.00 0.00 H new ATOM 990 N GLU A 68 -22.464 22.263 10.749 1.00 0.00 N ATOM 991 CA GLU A 68 -21.961 22.977 9.581 1.00 0.00 C ATOM 992 C GLU A 68 -20.732 23.807 9.937 1.00 0.00 C ATOM 993 O GLU A 68 -19.766 23.863 9.177 1.00 0.00 O ATOM 994 CB GLU A 68 -23.051 23.881 9.000 1.00 0.00 C ATOM 995 CG GLU A 68 -23.616 24.873 10.003 1.00 0.00 C ATOM 996 CD GLU A 68 -24.944 25.456 9.561 1.00 0.00 C ATOM 997 OE1 GLU A 68 -25.490 24.985 8.541 1.00 0.00 O ATOM 998 OE2 GLU A 68 -25.439 26.383 10.237 1.00 0.00 O ATOM 0 H GLU A 68 -23.459 22.396 10.929 1.00 0.00 H new ATOM 0 HA GLU A 68 -21.674 22.239 8.832 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -22.643 24.428 8.150 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -23.862 23.260 8.619 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -23.743 24.378 10.966 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -22.900 25.681 10.152 1.00 0.00 H new ATOM 1005 N GLU A 69 -20.777 24.452 11.099 1.00 0.00 N ATOM 1006 CA GLU A 69 -19.668 25.281 11.556 1.00 0.00 C ATOM 1007 C GLU A 69 -18.362 24.492 11.552 1.00 0.00 C ATOM 1008 O GLU A 69 -17.380 24.897 10.929 1.00 0.00 O ATOM 1009 CB GLU A 69 -19.948 25.818 12.961 1.00 0.00 C ATOM 1010 CG GLU A 69 -20.318 27.291 12.987 1.00 0.00 C ATOM 1011 CD GLU A 69 -21.476 27.586 13.921 1.00 0.00 C ATOM 1012 OE1 GLU A 69 -21.250 27.632 15.148 1.00 0.00 O ATOM 1013 OE2 GLU A 69 -22.607 27.770 13.425 1.00 0.00 O ATOM 0 H GLU A 69 -21.569 24.416 11.740 1.00 0.00 H new ATOM 0 HA GLU A 69 -19.568 26.120 10.868 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -20.758 25.241 13.407 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -19.066 25.663 13.583 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -19.450 27.874 13.295 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -20.578 27.614 11.979 1.00 0.00 H new ATOM 1020 N LEU A 70 -18.357 23.364 12.254 1.00 0.00 N ATOM 1021 CA LEU A 70 -17.172 22.517 12.333 1.00 0.00 C ATOM 1022 C LEU A 70 -16.729 22.069 10.944 1.00 0.00 C ATOM 1023 O LEU A 70 -15.555 21.772 10.721 1.00 0.00 O ATOM 1024 CB LEU A 70 -17.452 21.295 13.210 1.00 0.00 C ATOM 1025 CG LEU A 70 -18.069 21.579 14.580 1.00 0.00 C ATOM 1026 CD1 LEU A 70 -18.512 20.285 15.244 1.00 0.00 C ATOM 1027 CD2 LEU A 70 -17.081 22.325 15.465 1.00 0.00 C ATOM 0 H LEU A 70 -19.160 23.015 12.777 1.00 0.00 H new ATOM 0 HA LEU A 70 -16.368 23.101 12.780 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -18.119 20.627 12.665 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -16.515 20.758 13.360 1.00 0.00 H new ATOM 0 HG LEU A 70 -18.947 22.209 14.439 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -18.949 20.507 16.218 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -19.254 19.790 14.618 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -17.651 19.629 15.373 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -17.537 22.519 16.436 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -16.184 21.720 15.599 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -16.813 23.271 14.994 1.00 0.00 H new ATOM 1039 N ARG A 71 -17.676 22.025 10.012 1.00 0.00 N ATOM 1040 CA ARG A 71 -17.383 21.614 8.644 1.00 0.00 C ATOM 1041 C ARG A 71 -16.760 22.762 7.854 1.00 0.00 C ATOM 1042 O ARG A 71 -16.096 22.543 6.840 1.00 0.00 O ATOM 1043 CB ARG A 71 -18.658 21.135 7.949 1.00 0.00 C ATOM 1044 CG ARG A 71 -19.289 19.918 8.605 1.00 0.00 C ATOM 1045 CD ARG A 71 -20.693 19.664 8.077 1.00 0.00 C ATOM 1046 NE ARG A 71 -20.792 18.386 7.379 1.00 0.00 N ATOM 1047 CZ ARG A 71 -21.795 18.067 6.568 1.00 0.00 C ATOM 1048 NH1 ARG A 71 -22.778 18.929 6.354 1.00 0.00 N ATOM 1049 NH2 ARG A 71 -21.814 16.883 5.968 1.00 0.00 N ATOM 0 H ARG A 71 -18.652 22.269 10.179 1.00 0.00 H new ATOM 0 HA ARG A 71 -16.668 20.792 8.683 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -19.383 21.949 7.938 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -18.429 20.899 6.910 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -18.667 19.042 8.423 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -19.326 20.064 9.685 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -21.400 19.680 8.906 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -20.977 20.470 7.400 1.00 0.00 H new ATOM 0 HE ARG A 71 -20.051 17.700 7.522 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -22.766 19.840 6.812 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -23.547 18.682 5.731 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -21.058 16.217 6.129 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -22.584 16.639 5.346 1.00 0.00 H new ATOM 1063 N LEU A 72 -16.980 23.984 8.324 1.00 0.00 N ATOM 1064 CA LEU A 72 -16.441 25.167 7.661 1.00 0.00 C ATOM 1065 C LEU A 72 -15.090 25.555 8.253 1.00 0.00 C ATOM 1066 O LEU A 72 -14.335 26.321 7.654 1.00 0.00 O ATOM 1067 CB LEU A 72 -17.420 26.336 7.786 1.00 0.00 C ATOM 1068 CG LEU A 72 -18.278 26.628 6.554 1.00 0.00 C ATOM 1069 CD1 LEU A 72 -19.745 26.735 6.939 1.00 0.00 C ATOM 1070 CD2 LEU A 72 -17.810 27.904 5.869 1.00 0.00 C ATOM 0 H LEU A 72 -17.528 24.182 9.161 1.00 0.00 H new ATOM 0 HA LEU A 72 -16.300 24.930 6.606 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -18.084 26.139 8.628 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -16.853 27.234 8.030 1.00 0.00 H new ATOM 0 HG LEU A 72 -18.167 25.801 5.853 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -20.340 26.943 6.050 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -20.074 25.796 7.384 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -19.874 27.543 7.659 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -18.432 28.096 4.995 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -17.891 28.740 6.563 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -16.772 27.790 5.558 1.00 0.00 H new ATOM 1082 N VAL A 73 -14.790 25.018 9.431 1.00 0.00 N ATOM 1083 CA VAL A 73 -13.528 25.305 10.103 1.00 0.00 C ATOM 1084 C VAL A 73 -12.537 24.161 9.922 1.00 0.00 C ATOM 1085 O VAL A 73 -11.324 24.372 9.912 1.00 0.00 O ATOM 1086 CB VAL A 73 -13.737 25.555 11.608 1.00 0.00 C ATOM 1087 CG1 VAL A 73 -12.409 25.845 12.291 1.00 0.00 C ATOM 1088 CG2 VAL A 73 -14.719 26.697 11.827 1.00 0.00 C ATOM 0 H VAL A 73 -15.404 24.382 9.940 1.00 0.00 H new ATOM 0 HA VAL A 73 -13.124 26.208 9.645 1.00 0.00 H new ATOM 0 HB VAL A 73 -14.158 24.653 12.053 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -12.577 26.019 13.354 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.741 24.993 12.164 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.956 26.731 11.845 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -14.855 26.860 12.896 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -14.329 27.605 11.368 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -15.678 26.445 11.374 1.00 0.00 H new ATOM 1098 N PHE A 74 -13.061 22.949 9.779 1.00 0.00 N ATOM 1099 CA PHE A 74 -12.222 21.769 9.598 1.00 0.00 C ATOM 1100 C PHE A 74 -12.534 21.078 8.274 1.00 0.00 C ATOM 1101 O PHE A 74 -12.287 19.883 8.112 1.00 0.00 O ATOM 1102 CB PHE A 74 -12.424 20.791 10.758 1.00 0.00 C ATOM 1103 CG PHE A 74 -12.515 21.462 12.098 1.00 0.00 C ATOM 1104 CD1 PHE A 74 -11.457 22.212 12.586 1.00 0.00 C ATOM 1105 CD2 PHE A 74 -13.659 21.342 12.872 1.00 0.00 C ATOM 1106 CE1 PHE A 74 -11.538 22.830 13.820 1.00 0.00 C ATOM 1107 CE2 PHE A 74 -13.745 21.957 14.106 1.00 0.00 C ATOM 1108 CZ PHE A 74 -12.684 22.703 14.580 1.00 0.00 C ATOM 0 H PHE A 74 -14.063 22.757 9.785 1.00 0.00 H new ATOM 0 HA PHE A 74 -11.181 22.092 9.582 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -13.335 20.218 10.585 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -11.598 20.080 10.772 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -10.559 22.315 11.995 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -14.493 20.761 12.506 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -10.706 23.411 14.189 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -14.641 21.854 14.700 1.00 0.00 H new ATOM 0 HZ PHE A 74 -12.750 23.186 15.544 1.00 0.00 H new ATOM 1118 N GLY A 75 -13.078 21.839 7.330 1.00 0.00 N ATOM 1119 CA GLY A 75 -13.416 21.283 6.032 1.00 0.00 C ATOM 1120 C GLY A 75 -14.415 20.147 6.130 1.00 0.00 C ATOM 1121 O GLY A 75 -15.252 20.104 7.032 1.00 0.00 O ATOM 0 H GLY A 75 -13.291 22.830 7.440 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.826 22.070 5.399 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.509 20.924 5.547 1.00 0.00 H new ATOM 1125 N PRO A 76 -14.335 19.200 5.184 1.00 0.00 N ATOM 1126 CA PRO A 76 -15.233 18.042 5.145 1.00 0.00 C ATOM 1127 C PRO A 76 -14.966 17.064 6.284 1.00 0.00 C ATOM 1128 O PRO A 76 -15.710 16.101 6.476 1.00 0.00 O ATOM 1129 CB PRO A 76 -14.915 17.391 3.796 1.00 0.00 C ATOM 1130 CG PRO A 76 -13.517 17.810 3.494 1.00 0.00 C ATOM 1131 CD PRO A 76 -13.362 19.187 4.079 1.00 0.00 C ATOM 0 HA PRO A 76 -16.278 18.332 5.258 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -15.000 16.306 3.850 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -15.605 17.727 3.022 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -12.799 17.117 3.932 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -13.336 17.820 2.419 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -12.347 19.360 4.436 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -13.578 19.962 3.344 1.00 0.00 H new ATOM 1139 N LEU A 77 -13.902 17.316 7.038 1.00 0.00 N ATOM 1140 CA LEU A 77 -13.538 16.458 8.159 1.00 0.00 C ATOM 1141 C LEU A 77 -14.468 16.688 9.346 1.00 0.00 C ATOM 1142 O LEU A 77 -14.650 15.808 10.186 1.00 0.00 O ATOM 1143 CB LEU A 77 -12.088 16.716 8.575 1.00 0.00 C ATOM 1144 CG LEU A 77 -11.536 15.814 9.680 1.00 0.00 C ATOM 1145 CD1 LEU A 77 -11.757 14.350 9.333 1.00 0.00 C ATOM 1146 CD2 LEU A 77 -10.058 16.093 9.907 1.00 0.00 C ATOM 0 H LEU A 77 -13.276 18.108 6.893 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.639 15.421 7.838 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -11.454 16.608 7.695 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -12.004 17.752 8.903 1.00 0.00 H new ATOM 0 HG LEU A 77 -12.072 16.032 10.603 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.358 13.723 10.130 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.824 14.160 9.221 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -11.247 14.117 8.398 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -9.682 15.442 10.697 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.506 15.903 8.986 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.925 17.134 10.201 1.00 0.00 H new ATOM 1158 N GLY A 78 -15.057 17.879 9.408 1.00 0.00 N ATOM 1159 CA GLY A 78 -15.963 18.203 10.494 1.00 0.00 C ATOM 1160 C GLY A 78 -17.048 17.161 10.674 1.00 0.00 C ATOM 1161 O GLY A 78 -17.379 16.788 11.800 1.00 0.00 O ATOM 0 H GLY A 78 -14.923 18.625 8.725 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -15.396 18.297 11.420 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -16.423 19.173 10.302 1.00 0.00 H new ATOM 1165 N ASP A 79 -17.604 16.690 9.564 1.00 0.00 N ATOM 1166 CA ASP A 79 -18.659 15.684 9.604 1.00 0.00 C ATOM 1167 C ASP A 79 -18.239 14.489 10.454 1.00 0.00 C ATOM 1168 O ASP A 79 -19.075 13.827 11.068 1.00 0.00 O ATOM 1169 CB ASP A 79 -19.008 15.222 8.188 1.00 0.00 C ATOM 1170 CG ASP A 79 -20.466 14.832 8.049 1.00 0.00 C ATOM 1171 OD1 ASP A 79 -21.329 15.565 8.576 1.00 0.00 O ATOM 1172 OD2 ASP A 79 -20.744 13.796 7.411 1.00 0.00 O ATOM 0 H ASP A 79 -17.342 16.989 8.625 1.00 0.00 H new ATOM 0 HA ASP A 79 -19.541 16.137 10.057 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -18.780 16.020 7.482 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -18.380 14.372 7.921 1.00 0.00 H new ATOM 1177 N GLN A 80 -16.938 14.218 10.482 1.00 0.00 N ATOM 1178 CA GLN A 80 -16.407 13.101 11.255 1.00 0.00 C ATOM 1179 C GLN A 80 -16.106 13.526 12.689 1.00 0.00 C ATOM 1180 O GLN A 80 -16.261 12.741 13.625 1.00 0.00 O ATOM 1181 CB GLN A 80 -15.139 12.555 10.596 1.00 0.00 C ATOM 1182 CG GLN A 80 -15.380 11.952 9.221 1.00 0.00 C ATOM 1183 CD GLN A 80 -14.418 12.481 8.176 1.00 0.00 C ATOM 1184 OE1 GLN A 80 -13.250 12.093 8.136 1.00 0.00 O ATOM 1185 NE2 GLN A 80 -14.905 13.373 7.321 1.00 0.00 N ATOM 0 H GLN A 80 -16.233 14.756 9.979 1.00 0.00 H new ATOM 0 HA GLN A 80 -17.163 12.316 11.279 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -14.410 13.360 10.508 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -14.700 11.797 11.244 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -15.284 10.868 9.282 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -16.403 12.165 8.909 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -15.879 13.667 7.390 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -14.305 13.764 6.595 1.00 0.00 H new ATOM 1194 N LEU A 81 -15.675 14.771 12.854 1.00 0.00 N ATOM 1195 CA LEU A 81 -15.352 15.301 14.174 1.00 0.00 C ATOM 1196 C LEU A 81 -16.613 15.469 15.017 1.00 0.00 C ATOM 1197 O LEU A 81 -16.595 15.253 16.229 1.00 0.00 O ATOM 1198 CB LEU A 81 -14.628 16.642 14.045 1.00 0.00 C ATOM 1199 CG LEU A 81 -13.348 16.636 13.209 1.00 0.00 C ATOM 1200 CD1 LEU A 81 -12.873 18.057 12.950 1.00 0.00 C ATOM 1201 CD2 LEU A 81 -12.262 15.826 13.903 1.00 0.00 C ATOM 0 H LEU A 81 -15.541 15.433 12.090 1.00 0.00 H new ATOM 0 HA LEU A 81 -14.696 14.588 14.673 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -15.319 17.365 13.610 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -14.383 16.998 15.046 1.00 0.00 H new ATOM 0 HG LEU A 81 -13.565 16.167 12.249 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.961 18.033 12.354 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -13.645 18.606 12.411 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.672 18.552 13.900 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.358 15.832 13.294 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.047 16.266 14.877 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -12.603 14.799 14.036 1.00 0.00 H new ATOM 1213 N HIS A 82 -17.706 15.855 14.366 1.00 0.00 N ATOM 1214 CA HIS A 82 -18.977 16.050 15.055 1.00 0.00 C ATOM 1215 C HIS A 82 -19.455 14.748 15.691 1.00 0.00 C ATOM 1216 O HIS A 82 -19.898 14.733 16.839 1.00 0.00 O ATOM 1217 CB HIS A 82 -20.033 16.574 14.082 1.00 0.00 C ATOM 1218 CG HIS A 82 -21.306 16.995 14.750 1.00 0.00 C ATOM 1219 ND1 HIS A 82 -22.450 16.225 14.743 1.00 0.00 N ATOM 1220 CD2 HIS A 82 -21.611 18.113 15.450 1.00 0.00 C ATOM 1221 CE1 HIS A 82 -23.404 16.852 15.408 1.00 0.00 C ATOM 1222 NE2 HIS A 82 -22.920 18.000 15.847 1.00 0.00 N ATOM 0 H HIS A 82 -17.737 16.039 13.363 1.00 0.00 H new ATOM 0 HA HIS A 82 -18.825 16.785 15.845 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -19.622 17.422 13.534 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -20.256 15.799 13.349 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -20.948 18.940 15.657 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -24.408 16.488 15.566 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -23.436 18.691 16.393 1.00 0.00 H new ATOM 1230 N ALA A 83 -19.363 13.658 14.936 1.00 0.00 N ATOM 1231 CA ALA A 83 -19.786 12.352 15.426 1.00 0.00 C ATOM 1232 C ALA A 83 -19.141 12.036 16.772 1.00 0.00 C ATOM 1233 O ALA A 83 -19.801 11.537 17.684 1.00 0.00 O ATOM 1234 CB ALA A 83 -19.446 11.272 14.410 1.00 0.00 C ATOM 0 H ALA A 83 -18.999 13.654 13.983 1.00 0.00 H new ATOM 0 HA ALA A 83 -20.867 12.376 15.567 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -19.767 10.302 14.789 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -19.957 11.482 13.471 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -18.369 11.257 14.241 1.00 0.00 H new ATOM 1240 N GLN A 84 -17.850 12.329 16.888 1.00 0.00 N ATOM 1241 CA GLN A 84 -17.118 12.074 18.123 1.00 0.00 C ATOM 1242 C GLN A 84 -17.597 12.995 19.240 1.00 0.00 C ATOM 1243 O GLN A 84 -17.998 12.534 20.310 1.00 0.00 O ATOM 1244 CB GLN A 84 -15.616 12.263 17.898 1.00 0.00 C ATOM 1245 CG GLN A 84 -14.900 10.992 17.470 1.00 0.00 C ATOM 1246 CD GLN A 84 -14.256 10.266 18.634 1.00 0.00 C ATOM 1247 OE1 GLN A 84 -13.671 10.887 19.522 1.00 0.00 O ATOM 1248 NE2 GLN A 84 -14.360 8.942 18.637 1.00 0.00 N ATOM 0 H GLN A 84 -17.290 12.743 16.143 1.00 0.00 H new ATOM 0 HA GLN A 84 -17.307 11.043 18.422 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -15.465 13.029 17.137 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -15.163 12.633 18.818 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -15.611 10.327 16.980 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -14.136 11.240 16.734 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -14.854 8.468 17.881 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -13.946 8.400 19.395 1.00 0.00 H new ATOM 1257 N LEU A 85 -17.552 14.298 18.986 1.00 0.00 N ATOM 1258 CA LEU A 85 -17.981 15.285 19.970 1.00 0.00 C ATOM 1259 C LEU A 85 -19.400 14.995 20.450 1.00 0.00 C ATOM 1260 O LEU A 85 -19.768 15.335 21.574 1.00 0.00 O ATOM 1261 CB LEU A 85 -17.910 16.693 19.375 1.00 0.00 C ATOM 1262 CG LEU A 85 -16.542 17.373 19.424 1.00 0.00 C ATOM 1263 CD1 LEU A 85 -16.528 18.608 18.537 1.00 0.00 C ATOM 1264 CD2 LEU A 85 -16.178 17.738 20.855 1.00 0.00 C ATOM 0 H LEU A 85 -17.223 14.696 18.106 1.00 0.00 H new ATOM 0 HA LEU A 85 -17.308 15.224 20.825 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -18.232 16.643 18.335 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -18.627 17.324 19.900 1.00 0.00 H new ATOM 0 HG LEU A 85 -15.796 16.672 19.049 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -15.546 19.079 18.585 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -16.743 18.319 17.508 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -17.285 19.312 18.882 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -15.201 18.221 20.870 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -16.926 18.420 21.258 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -16.145 16.835 21.464 1.00 0.00 H new ATOM 1276 N ARG A 86 -20.191 14.361 19.590 1.00 0.00 N ATOM 1277 CA ARG A 86 -21.569 14.024 19.926 1.00 0.00 C ATOM 1278 C ARG A 86 -21.618 12.909 20.967 1.00 0.00 C ATOM 1279 O ARG A 86 -22.445 12.933 21.879 1.00 0.00 O ATOM 1280 CB ARG A 86 -22.333 13.598 18.671 1.00 0.00 C ATOM 1281 CG ARG A 86 -23.005 14.752 17.945 1.00 0.00 C ATOM 1282 CD ARG A 86 -24.430 14.404 17.544 1.00 0.00 C ATOM 1283 NE ARG A 86 -25.415 15.087 18.379 1.00 0.00 N ATOM 1284 CZ ARG A 86 -26.707 15.162 18.079 1.00 0.00 C ATOM 1285 NH1 ARG A 86 -27.167 14.600 16.970 1.00 0.00 N ATOM 1286 NH2 ARG A 86 -27.542 15.801 18.889 1.00 0.00 N ATOM 0 H ARG A 86 -19.901 14.071 18.656 1.00 0.00 H new ATOM 0 HA ARG A 86 -22.041 14.912 20.347 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -21.644 13.102 17.987 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -23.090 12.864 18.948 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -23.011 15.633 18.587 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -22.428 15.009 17.057 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -24.589 14.675 16.500 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -24.575 13.326 17.620 1.00 0.00 H new ATOM 0 HE ARG A 86 -25.093 15.531 19.239 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -26.528 14.108 16.345 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -28.159 14.659 16.742 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -27.192 16.235 19.743 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -28.534 15.858 18.657 1.00 0.00 H new ATOM 1300 N ASP A 87 -20.727 11.934 20.824 1.00 0.00 N ATOM 1301 CA ASP A 87 -20.668 10.811 21.751 1.00 0.00 C ATOM 1302 C ASP A 87 -19.998 11.221 23.059 1.00 0.00 C ATOM 1303 O ASP A 87 -20.342 10.719 24.130 1.00 0.00 O ATOM 1304 CB ASP A 87 -19.911 9.641 21.121 1.00 0.00 C ATOM 1305 CG ASP A 87 -20.816 8.466 20.809 1.00 0.00 C ATOM 1306 OD1 ASP A 87 -20.982 7.594 21.689 1.00 0.00 O ATOM 1307 OD2 ASP A 87 -21.360 8.418 19.687 1.00 0.00 O ATOM 0 H ASP A 87 -20.036 11.899 20.075 1.00 0.00 H new ATOM 0 HA ASP A 87 -21.689 10.498 21.969 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -19.427 9.977 20.204 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -19.120 9.317 21.798 1.00 0.00 H new ATOM 1312 N LEU A 88 -19.038 12.135 22.965 1.00 0.00 N ATOM 1313 CA LEU A 88 -18.318 12.612 24.141 1.00 0.00 C ATOM 1314 C LEU A 88 -19.258 13.338 25.097 1.00 0.00 C ATOM 1315 O LEU A 88 -19.165 13.182 26.315 1.00 0.00 O ATOM 1316 CB LEU A 88 -17.179 13.543 23.722 1.00 0.00 C ATOM 1317 CG LEU A 88 -15.960 12.870 23.090 1.00 0.00 C ATOM 1318 CD1 LEU A 88 -15.146 13.879 22.294 1.00 0.00 C ATOM 1319 CD2 LEU A 88 -15.100 12.212 24.159 1.00 0.00 C ATOM 0 H LEU A 88 -18.740 12.560 22.087 1.00 0.00 H new ATOM 0 HA LEU A 88 -17.901 11.747 24.658 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -17.574 14.272 23.015 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -16.848 14.098 24.600 1.00 0.00 H new ATOM 0 HG LEU A 88 -16.310 12.096 22.407 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -14.283 13.382 21.852 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -15.765 14.303 21.503 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -14.806 14.676 22.956 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -14.237 11.738 23.691 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -14.759 12.967 24.868 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -15.687 11.459 24.685 1.00 0.00 H new