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 -159:sc= 0.103 USER MOD Set 1.2: A 39 GLN : amide:sc= -3.25 K(o=-4.1,f=-6.1!) USER MOD Set 1.3: A 84 GLN : amide:sc= -0.994 X(o=-4.1,f=-4.6) USER MOD Set 2.1: A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 65 CYS SG : rot -160:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 25 GLN : amide:sc= -0.278 K(o=-0.28,f=-1.4!) 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 :FLIP amide:sc= -1.01 F(o=-2.4,f=-1) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 0.956 K(o=0.96,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= -1.71 USER MOD Single : A 48 SER OG : rot 180:sc=-0.000128 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 52:sc= 0.231 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 80 GLN : amide:sc= -0.376 X(o=-0.38,f=-0.38) USER MOD Single : A 82 HIS :FLIP no HE2:sc= -0.815 F(o=-1.6,f=-0.82) USER MOD ----------------------------------------------------------------- ATOM 203 N ALA A 17 -3.390 11.676 26.608 1.00 0.00 N ATOM 204 CA ALA A 17 -3.863 12.821 25.841 1.00 0.00 C ATOM 205 C ALA A 17 -4.182 14.000 26.754 1.00 0.00 C ATOM 206 O ALA A 17 -4.778 13.830 27.817 1.00 0.00 O ATOM 207 CB ALA A 17 -5.087 12.439 25.022 1.00 0.00 C ATOM 0 HA ALA A 17 -3.066 13.126 25.162 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.429 13.304 24.454 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.828 11.633 24.335 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.882 12.105 25.689 1.00 0.00 H new ATOM 213 N SER A 18 -3.780 15.195 26.333 1.00 0.00 N ATOM 214 CA SER A 18 -4.019 16.402 27.116 1.00 0.00 C ATOM 215 C SER A 18 -5.515 16.647 27.292 1.00 0.00 C ATOM 216 O SER A 18 -5.932 17.395 28.176 1.00 0.00 O ATOM 217 CB SER A 18 -3.369 17.611 26.440 1.00 0.00 C ATOM 218 OG SER A 18 -2.631 18.381 27.374 1.00 0.00 O ATOM 0 H SER A 18 -3.287 15.353 25.454 1.00 0.00 H new ATOM 0 HA SER A 18 -3.573 16.262 28.100 1.00 0.00 H new ATOM 0 HB2 SER A 18 -2.710 17.274 25.640 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.138 18.231 25.979 1.00 0.00 H new ATOM 0 HG SER A 18 -2.224 19.147 26.918 1.00 0.00 H new ATOM 224 N TRP A 19 -6.316 16.012 26.444 1.00 0.00 N ATOM 225 CA TRP A 19 -7.765 16.160 26.505 1.00 0.00 C ATOM 226 C TRP A 19 -8.425 14.871 26.981 1.00 0.00 C ATOM 227 O TRP A 19 -9.627 14.673 26.799 1.00 0.00 O ATOM 228 CB TRP A 19 -8.316 16.554 25.133 1.00 0.00 C ATOM 229 CG TRP A 19 -7.730 15.757 24.007 1.00 0.00 C ATOM 230 CD1 TRP A 19 -6.640 16.086 23.252 1.00 0.00 C ATOM 231 CD2 TRP A 19 -8.203 14.502 23.508 1.00 0.00 C ATOM 232 NE1 TRP A 19 -6.407 15.109 22.313 1.00 0.00 N ATOM 233 CE2 TRP A 19 -7.351 14.126 22.450 1.00 0.00 C ATOM 234 CE3 TRP A 19 -9.261 13.657 23.853 1.00 0.00 C ATOM 235 CZ2 TRP A 19 -7.528 12.944 21.736 1.00 0.00 C ATOM 236 CZ3 TRP A 19 -9.436 12.484 23.143 1.00 0.00 C ATOM 237 CH2 TRP A 19 -8.573 12.136 22.095 1.00 0.00 C ATOM 0 H TRP A 19 -5.986 15.390 25.706 1.00 0.00 H new ATOM 0 HA TRP A 19 -7.995 16.949 27.221 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -9.399 16.427 25.134 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -8.119 17.612 24.961 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -6.049 16.981 23.375 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -5.653 15.115 21.626 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -9.930 13.916 24.660 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -6.864 12.674 20.928 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -10.252 11.824 23.400 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -8.736 11.212 21.560 1.00 0.00 H new ATOM 248 N LEU A 20 -7.633 13.997 27.592 1.00 0.00 N ATOM 249 CA LEU A 20 -8.141 12.726 28.095 1.00 0.00 C ATOM 250 C LEU A 20 -8.380 12.792 29.600 1.00 0.00 C ATOM 251 O LEU A 20 -7.469 13.090 30.371 1.00 0.00 O ATOM 252 CB LEU A 20 -7.160 11.598 27.772 1.00 0.00 C ATOM 253 CG LEU A 20 -7.538 10.694 26.598 1.00 0.00 C ATOM 254 CD1 LEU A 20 -6.385 9.767 26.245 1.00 0.00 C ATOM 255 CD2 LEU A 20 -8.789 9.892 26.925 1.00 0.00 C ATOM 0 H LEU A 20 -6.636 14.145 27.751 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.092 12.523 27.603 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -6.185 12.040 27.565 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.046 10.977 28.661 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.749 11.323 25.733 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -6.673 9.131 25.408 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.513 10.360 25.968 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.142 9.145 27.106 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -9.044 9.254 26.079 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -8.605 9.273 27.803 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -9.615 10.573 27.128 1.00 0.00 H new ATOM 267 N GLY A 21 -9.612 12.509 30.012 1.00 0.00 N ATOM 268 CA GLY A 21 -9.948 12.541 31.424 1.00 0.00 C ATOM 269 C GLY A 21 -10.910 13.661 31.766 1.00 0.00 C ATOM 270 O GLY A 21 -11.558 13.632 32.812 1.00 0.00 O ATOM 0 H GLY A 21 -10.383 12.258 29.394 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -10.390 11.587 31.711 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -9.036 12.659 32.009 1.00 0.00 H new ATOM 274 N GLU A 22 -11.002 14.651 30.883 1.00 0.00 N ATOM 275 CA GLU A 22 -11.890 15.786 31.100 1.00 0.00 C ATOM 276 C GLU A 22 -12.898 15.914 29.961 1.00 0.00 C ATOM 277 O GLU A 22 -12.575 15.655 28.802 1.00 0.00 O ATOM 278 CB GLU A 22 -11.081 17.079 31.226 1.00 0.00 C ATOM 279 CG GLU A 22 -11.876 18.242 31.794 1.00 0.00 C ATOM 280 CD GLU A 22 -12.235 18.046 33.254 1.00 0.00 C ATOM 281 OE1 GLU A 22 -11.421 17.448 33.990 1.00 0.00 O ATOM 282 OE2 GLU A 22 -13.329 18.488 33.662 1.00 0.00 O ATOM 0 H GLU A 22 -10.473 14.689 30.012 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.435 15.615 32.028 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.216 16.896 31.863 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.700 17.356 30.243 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.298 19.160 31.686 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.789 18.371 31.213 1.00 0.00 H new ATOM 289 N GLN A 23 -14.119 16.314 30.301 1.00 0.00 N ATOM 290 CA GLN A 23 -15.174 16.475 29.307 1.00 0.00 C ATOM 291 C GLN A 23 -14.775 17.499 28.250 1.00 0.00 C ATOM 292 O GLN A 23 -13.885 18.325 28.455 1.00 0.00 O ATOM 293 CB GLN A 23 -16.478 16.904 29.982 1.00 0.00 C ATOM 294 CG GLN A 23 -17.323 15.738 30.470 1.00 0.00 C ATOM 295 CD GLN A 23 -18.520 16.185 31.286 1.00 0.00 C ATOM 296 OE1 GLN A 23 -18.872 17.365 31.297 1.00 0.00 O ATOM 297 NE2 GLN A 23 -19.153 15.243 31.974 1.00 0.00 N ATOM 0 H GLN A 23 -14.402 16.532 31.256 1.00 0.00 H new ATOM 0 HA GLN A 23 -15.326 15.514 28.816 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -16.244 17.551 30.827 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -17.063 17.497 29.279 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -17.668 15.161 29.612 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -16.704 15.074 31.073 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -18.827 14.277 31.936 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -19.966 15.485 32.541 1.00 0.00 H new ATOM 306 N PRO A 24 -15.446 17.445 27.090 1.00 0.00 N ATOM 307 CA PRO A 24 -15.178 18.360 25.977 1.00 0.00 C ATOM 308 C PRO A 24 -15.622 19.787 26.280 1.00 0.00 C ATOM 309 O PRO A 24 -15.330 20.711 25.522 1.00 0.00 O ATOM 310 CB PRO A 24 -16.006 17.775 24.829 1.00 0.00 C ATOM 311 CG PRO A 24 -17.104 17.023 25.499 1.00 0.00 C ATOM 312 CD PRO A 24 -16.519 16.486 26.776 1.00 0.00 C ATOM 0 HA PRO A 24 -14.113 18.434 25.758 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -16.400 18.561 24.185 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -15.403 17.119 24.200 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -17.955 17.673 25.703 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -17.466 16.214 24.865 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -17.263 16.441 27.571 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -16.130 15.476 26.646 1.00 0.00 H new ATOM 320 N GLN A 25 -16.329 19.958 27.393 1.00 0.00 N ATOM 321 CA GLN A 25 -16.813 21.273 27.795 1.00 0.00 C ATOM 322 C GLN A 25 -15.743 22.033 28.571 1.00 0.00 C ATOM 323 O GLN A 25 -15.750 23.264 28.616 1.00 0.00 O ATOM 324 CB GLN A 25 -18.077 21.136 28.647 1.00 0.00 C ATOM 325 CG GLN A 25 -19.107 20.186 28.058 1.00 0.00 C ATOM 326 CD GLN A 25 -20.509 20.761 28.078 1.00 0.00 C ATOM 327 OE1 GLN A 25 -20.697 21.973 27.971 1.00 0.00 O ATOM 328 NE2 GLN A 25 -21.504 19.891 28.214 1.00 0.00 N ATOM 0 H GLN A 25 -16.579 19.203 28.031 1.00 0.00 H new ATOM 0 HA GLN A 25 -17.051 21.836 26.893 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -17.799 20.786 29.641 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -18.531 22.119 28.770 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -18.831 19.948 27.031 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -19.094 19.250 28.617 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -21.302 18.895 28.299 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -22.470 20.219 28.233 1.00 0.00 H new ATOM 337 N PHE A 26 -14.823 21.293 29.181 1.00 0.00 N ATOM 338 CA PHE A 26 -13.746 21.897 29.957 1.00 0.00 C ATOM 339 C PHE A 26 -12.403 21.715 29.256 1.00 0.00 C ATOM 340 O PHE A 26 -11.411 21.342 29.882 1.00 0.00 O ATOM 341 CB PHE A 26 -13.691 21.283 31.357 1.00 0.00 C ATOM 342 CG PHE A 26 -14.977 21.419 32.122 1.00 0.00 C ATOM 343 CD1 PHE A 26 -16.006 20.509 31.940 1.00 0.00 C ATOM 344 CD2 PHE A 26 -15.156 22.456 33.023 1.00 0.00 C ATOM 345 CE1 PHE A 26 -17.190 20.632 32.643 1.00 0.00 C ATOM 346 CE2 PHE A 26 -16.338 22.584 33.729 1.00 0.00 C ATOM 347 CZ PHE A 26 -17.356 21.670 33.539 1.00 0.00 C ATOM 0 H PHE A 26 -14.802 20.274 29.153 1.00 0.00 H new ATOM 0 HA PHE A 26 -13.949 22.964 30.044 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -13.438 20.226 31.272 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -12.889 21.758 31.922 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -15.882 19.695 31.241 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -14.363 23.173 33.176 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -17.985 19.917 32.492 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -16.465 23.397 34.428 1.00 0.00 H new ATOM 0 HZ PHE A 26 -18.280 21.767 34.090 1.00 0.00 H new ATOM 357 N TRP A 27 -12.381 21.981 27.955 1.00 0.00 N ATOM 358 CA TRP A 27 -11.160 21.846 27.169 1.00 0.00 C ATOM 359 C TRP A 27 -10.471 23.195 26.998 1.00 0.00 C ATOM 360 O TRP A 27 -11.113 24.243 27.062 1.00 0.00 O ATOM 361 CB TRP A 27 -11.475 21.243 25.799 1.00 0.00 C ATOM 362 CG TRP A 27 -11.555 19.746 25.813 1.00 0.00 C ATOM 363 CD1 TRP A 27 -11.509 18.934 26.910 1.00 0.00 C ATOM 364 CD2 TRP A 27 -11.694 18.885 24.678 1.00 0.00 C ATOM 365 NE1 TRP A 27 -11.611 17.618 26.525 1.00 0.00 N ATOM 366 CE2 TRP A 27 -11.726 17.562 25.161 1.00 0.00 C ATOM 367 CE3 TRP A 27 -11.796 19.102 23.302 1.00 0.00 C ATOM 368 CZ2 TRP A 27 -11.855 16.464 24.315 1.00 0.00 C ATOM 369 CZ3 TRP A 27 -11.923 18.011 22.463 1.00 0.00 C ATOM 370 CH2 TRP A 27 -11.953 16.706 22.971 1.00 0.00 C ATOM 0 H TRP A 27 -13.194 22.291 27.422 1.00 0.00 H new ATOM 0 HA TRP A 27 -10.484 21.179 27.705 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -12.422 21.647 25.441 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -10.708 21.552 25.089 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -11.407 19.275 27.930 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -11.602 16.814 27.153 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -11.776 20.104 22.901 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -11.877 15.457 24.705 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -12.000 18.167 21.397 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -12.055 15.875 22.289 1.00 0.00 H new ATOM 381 N SER A 28 -9.160 23.163 26.779 1.00 0.00 N ATOM 382 CA SER A 28 -8.384 24.384 26.602 1.00 0.00 C ATOM 383 C SER A 28 -8.163 24.677 25.121 1.00 0.00 C ATOM 384 O SER A 28 -8.333 23.804 24.271 1.00 0.00 O ATOM 385 CB SER A 28 -7.036 24.265 27.316 1.00 0.00 C ATOM 386 OG SER A 28 -6.532 25.541 27.670 1.00 0.00 O ATOM 0 H SER A 28 -8.613 22.304 26.720 1.00 0.00 H new ATOM 0 HA SER A 28 -8.947 25.209 27.038 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.148 23.654 28.211 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.322 23.755 26.669 1.00 0.00 H new ATOM 0 HG SER A 28 -5.671 25.438 28.126 1.00 0.00 H new ATOM 392 N LYS A 29 -7.784 25.915 24.820 1.00 0.00 N ATOM 393 CA LYS A 29 -7.538 26.326 23.443 1.00 0.00 C ATOM 394 C LYS A 29 -6.507 25.418 22.779 1.00 0.00 C ATOM 395 O LYS A 29 -6.494 25.265 21.558 1.00 0.00 O ATOM 396 CB LYS A 29 -7.056 27.778 23.401 1.00 0.00 C ATOM 397 CG LYS A 29 -8.088 28.776 23.898 1.00 0.00 C ATOM 398 CD LYS A 29 -7.466 29.805 24.826 1.00 0.00 C ATOM 399 CE LYS A 29 -8.529 30.631 25.535 1.00 0.00 C ATOM 400 NZ LYS A 29 -8.333 32.091 25.318 1.00 0.00 N ATOM 0 H LYS A 29 -7.641 26.651 25.512 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.476 26.244 22.893 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.153 27.870 24.005 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.781 28.031 22.377 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.546 29.281 23.048 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.885 28.247 24.421 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.843 29.301 25.565 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.813 30.464 24.254 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.516 30.340 25.175 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.503 30.416 26.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.077 32.619 25.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.402 32.375 25.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.383 32.301 24.301 1.00 0.00 H new ATOM 414 N THR A 30 -5.645 24.816 23.593 1.00 0.00 N ATOM 415 CA THR A 30 -4.611 23.923 23.085 1.00 0.00 C ATOM 416 C THR A 30 -5.137 22.500 22.939 1.00 0.00 C ATOM 417 O THR A 30 -4.785 21.793 21.995 1.00 0.00 O ATOM 418 CB THR A 30 -3.377 23.911 24.007 1.00 0.00 C ATOM 419 OG1 THR A 30 -3.201 25.199 24.608 1.00 0.00 O ATOM 420 CG2 THR A 30 -2.125 23.533 23.230 1.00 0.00 C ATOM 0 H THR A 30 -5.643 24.931 24.607 1.00 0.00 H new ATOM 0 HA THR A 30 -4.319 24.301 22.105 1.00 0.00 H new ATOM 0 HB THR A 30 -3.541 23.167 24.786 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.416 25.182 25.194 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.267 23.531 23.902 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.250 22.540 22.799 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.960 24.257 22.432 1.00 0.00 H new ATOM 428 N GLN A 31 -5.981 22.087 23.879 1.00 0.00 N ATOM 429 CA GLN A 31 -6.555 20.747 23.854 1.00 0.00 C ATOM 430 C GLN A 31 -7.357 20.522 22.577 1.00 0.00 C ATOM 431 O GLN A 31 -7.246 19.475 21.938 1.00 0.00 O ATOM 432 CB GLN A 31 -7.448 20.529 25.077 1.00 0.00 C ATOM 433 CG GLN A 31 -6.683 20.485 26.390 1.00 0.00 C ATOM 434 CD GLN A 31 -7.590 20.286 27.588 1.00 0.00 C ATOM 435 OE1 GLN A 31 -8.502 19.326 27.486 1.00 0.00 O flip ATOM 436 NE2 GLN A 31 -7.473 20.987 28.593 1.00 0.00 N flip ATOM 0 H GLN A 31 -6.282 22.661 24.667 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.736 20.028 23.878 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.187 21.329 25.124 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.996 19.595 24.954 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.953 19.676 26.354 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.125 21.413 26.512 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.758 21.713 28.628 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -8.091 20.841 29.391 1.00 0.00 H new ATOM 445 N VAL A 32 -8.165 21.511 22.210 1.00 0.00 N ATOM 446 CA VAL A 32 -8.986 21.421 21.008 1.00 0.00 C ATOM 447 C VAL A 32 -8.145 21.037 19.796 1.00 0.00 C ATOM 448 O VAL A 32 -8.382 20.007 19.163 1.00 0.00 O ATOM 449 CB VAL A 32 -9.705 22.752 20.719 1.00 0.00 C ATOM 450 CG1 VAL A 32 -10.530 22.648 19.445 1.00 0.00 C ATOM 451 CG2 VAL A 32 -10.578 23.153 21.898 1.00 0.00 C ATOM 0 H VAL A 32 -8.269 22.384 22.727 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.731 20.646 21.190 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.952 23.527 20.574 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -11.031 23.598 19.257 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -9.876 22.411 18.606 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -11.276 21.861 19.558 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -11.078 24.096 21.676 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -11.325 22.379 22.078 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.958 23.272 22.786 1.00 0.00 H new ATOM 461 N LEU A 33 -7.161 21.871 19.477 1.00 0.00 N ATOM 462 CA LEU A 33 -6.283 21.619 18.339 1.00 0.00 C ATOM 463 C LEU A 33 -5.539 20.298 18.508 1.00 0.00 C ATOM 464 O LEU A 33 -5.227 19.620 17.529 1.00 0.00 O ATOM 465 CB LEU A 33 -5.282 22.764 18.179 1.00 0.00 C ATOM 466 CG LEU A 33 -5.868 24.114 17.764 1.00 0.00 C ATOM 467 CD1 LEU A 33 -5.182 25.246 18.513 1.00 0.00 C ATOM 468 CD2 LEU A 33 -5.741 24.313 16.261 1.00 0.00 C ATOM 0 H LEU A 33 -6.951 22.727 19.990 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.900 21.556 17.442 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.755 22.894 19.124 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.539 22.470 17.438 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.927 24.123 18.022 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.612 26.199 18.205 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.326 25.113 19.585 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.116 25.239 18.286 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.163 25.279 15.985 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.689 24.283 15.978 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.280 23.520 15.742 1.00 0.00 H new ATOM 480 N ASP A 34 -5.260 19.938 19.756 1.00 0.00 N ATOM 481 CA ASP A 34 -4.555 18.696 20.054 1.00 0.00 C ATOM 482 C ASP A 34 -5.450 17.488 19.795 1.00 0.00 C ATOM 483 O ASP A 34 -4.965 16.394 19.508 1.00 0.00 O ATOM 484 CB ASP A 34 -4.078 18.691 21.507 1.00 0.00 C ATOM 485 CG ASP A 34 -2.720 19.344 21.672 1.00 0.00 C ATOM 486 OD1 ASP A 34 -1.813 19.036 20.872 1.00 0.00 O ATOM 487 OD2 ASP A 34 -2.564 20.162 22.603 1.00 0.00 O ATOM 0 H ASP A 34 -5.511 20.488 20.577 1.00 0.00 H new ATOM 0 HA ASP A 34 -3.689 18.632 19.396 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.807 19.213 22.127 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.030 17.663 21.867 1.00 0.00 H new ATOM 492 N TRP A 35 -6.758 17.694 19.900 1.00 0.00 N ATOM 493 CA TRP A 35 -7.721 16.621 19.678 1.00 0.00 C ATOM 494 C TRP A 35 -7.930 16.376 18.188 1.00 0.00 C ATOM 495 O TRP A 35 -8.213 15.254 17.768 1.00 0.00 O ATOM 496 CB TRP A 35 -9.055 16.960 20.345 1.00 0.00 C ATOM 497 CG TRP A 35 -10.153 16.000 19.998 1.00 0.00 C ATOM 498 CD1 TRP A 35 -10.358 14.761 20.535 1.00 0.00 C ATOM 499 CD2 TRP A 35 -11.194 16.200 19.035 1.00 0.00 C ATOM 500 NE1 TRP A 35 -11.464 14.179 19.964 1.00 0.00 N ATOM 501 CE2 TRP A 35 -11.995 15.041 19.042 1.00 0.00 C ATOM 502 CE3 TRP A 35 -11.528 17.245 18.170 1.00 0.00 C ATOM 503 CZ2 TRP A 35 -13.107 14.901 18.216 1.00 0.00 C ATOM 504 CZ3 TRP A 35 -12.631 17.104 17.351 1.00 0.00 C ATOM 505 CH2 TRP A 35 -13.411 15.940 17.378 1.00 0.00 C ATOM 0 H TRP A 35 -7.176 18.594 20.137 1.00 0.00 H new ATOM 0 HA TRP A 35 -7.322 15.710 20.123 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -8.920 16.971 21.427 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -9.355 17.966 20.051 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -9.742 14.306 21.296 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -11.830 13.254 20.190 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -10.934 18.147 18.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -13.709 14.004 18.236 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -12.897 17.905 16.678 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -14.268 15.861 16.725 1.00 0.00 H new ATOM 516 N ILE A 36 -7.790 17.432 17.394 1.00 0.00 N ATOM 517 CA ILE A 36 -7.963 17.330 15.950 1.00 0.00 C ATOM 518 C ILE A 36 -6.944 16.374 15.341 1.00 0.00 C ATOM 519 O ILE A 36 -7.302 15.457 14.602 1.00 0.00 O ATOM 520 CB ILE A 36 -7.831 18.705 15.269 1.00 0.00 C ATOM 521 CG1 ILE A 36 -8.866 19.680 15.834 1.00 0.00 C ATOM 522 CG2 ILE A 36 -7.991 18.568 13.763 1.00 0.00 C ATOM 523 CD1 ILE A 36 -8.779 21.067 15.236 1.00 0.00 C ATOM 0 H ILE A 36 -7.557 18.368 17.726 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.968 16.944 15.779 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.837 19.101 15.474 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.864 19.279 15.658 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.736 19.750 16.914 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -7.895 19.548 13.296 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.219 17.904 13.374 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.974 18.153 13.538 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.542 21.704 15.683 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.793 21.488 15.434 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.939 21.010 14.159 1.00 0.00 H new ATOM 535 N SER A 37 -5.672 16.593 15.658 1.00 0.00 N ATOM 536 CA SER A 37 -4.599 15.751 15.140 1.00 0.00 C ATOM 537 C SER A 37 -4.899 14.276 15.387 1.00 0.00 C ATOM 538 O SER A 37 -4.564 13.417 14.570 1.00 0.00 O ATOM 539 CB SER A 37 -3.267 16.128 15.790 1.00 0.00 C ATOM 540 OG SER A 37 -2.253 15.198 15.452 1.00 0.00 O ATOM 0 H SER A 37 -5.359 17.346 16.271 1.00 0.00 H new ATOM 0 HA SER A 37 -4.529 15.915 14.065 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.971 17.126 15.468 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.385 16.165 16.873 1.00 0.00 H new ATOM 0 HG SER A 37 -1.411 15.462 15.879 1.00 0.00 H new ATOM 546 N TYR A 38 -5.532 13.989 16.519 1.00 0.00 N ATOM 547 CA TYR A 38 -5.876 12.618 16.876 1.00 0.00 C ATOM 548 C TYR A 38 -6.844 12.017 15.862 1.00 0.00 C ATOM 549 O TYR A 38 -6.671 10.881 15.420 1.00 0.00 O ATOM 550 CB TYR A 38 -6.492 12.572 18.275 1.00 0.00 C ATOM 551 CG TYR A 38 -7.638 11.594 18.401 1.00 0.00 C ATOM 552 CD1 TYR A 38 -7.414 10.223 18.368 1.00 0.00 C ATOM 553 CD2 TYR A 38 -8.945 12.040 18.551 1.00 0.00 C ATOM 554 CE1 TYR A 38 -8.458 9.325 18.481 1.00 0.00 C ATOM 555 CE2 TYR A 38 -9.995 11.150 18.667 1.00 0.00 C ATOM 556 CZ TYR A 38 -9.746 9.794 18.631 1.00 0.00 C ATOM 557 OH TYR A 38 -10.790 8.903 18.745 1.00 0.00 O ATOM 0 H TYR A 38 -5.817 14.688 17.205 1.00 0.00 H new ATOM 0 HA TYR A 38 -4.960 12.028 16.870 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.718 12.306 18.995 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -6.845 13.569 18.540 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -6.406 9.853 18.252 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -9.144 13.101 18.577 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -8.266 8.263 18.452 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -11.005 11.514 18.785 1.00 0.00 H new ATOM 0 HH TYR A 38 -11.629 9.351 18.509 1.00 0.00 H new ATOM 567 N GLN A 39 -7.864 12.788 15.498 1.00 0.00 N ATOM 568 CA GLN A 39 -8.860 12.333 14.536 1.00 0.00 C ATOM 569 C GLN A 39 -8.324 12.426 13.111 1.00 0.00 C ATOM 570 O GLN A 39 -8.792 11.726 12.214 1.00 0.00 O ATOM 571 CB GLN A 39 -10.141 13.159 14.667 1.00 0.00 C ATOM 572 CG GLN A 39 -11.188 12.520 15.566 1.00 0.00 C ATOM 573 CD GLN A 39 -12.338 11.917 14.785 1.00 0.00 C ATOM 574 OE1 GLN A 39 -12.954 12.583 13.951 1.00 0.00 O ATOM 575 NE2 GLN A 39 -12.635 10.651 15.050 1.00 0.00 N ATOM 0 H GLN A 39 -8.022 13.730 15.855 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.086 11.289 14.752 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.890 14.144 15.060 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -10.569 13.310 13.676 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -10.718 11.744 16.170 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -11.576 13.270 16.256 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -12.098 10.137 15.749 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -13.400 10.192 14.555 1.00 0.00 H new ATOM 584 N VAL A 40 -7.339 13.296 12.911 1.00 0.00 N ATOM 585 CA VAL A 40 -6.739 13.481 11.595 1.00 0.00 C ATOM 586 C VAL A 40 -5.769 12.351 11.270 1.00 0.00 C ATOM 587 O VAL A 40 -5.554 12.021 10.105 1.00 0.00 O ATOM 588 CB VAL A 40 -5.993 14.826 11.503 1.00 0.00 C ATOM 589 CG1 VAL A 40 -5.332 14.977 10.141 1.00 0.00 C ATOM 590 CG2 VAL A 40 -6.944 15.982 11.775 1.00 0.00 C ATOM 0 H VAL A 40 -6.940 13.883 13.643 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.554 13.476 10.871 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.212 14.842 12.263 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.810 15.933 10.094 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.619 14.166 9.991 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.093 14.941 9.361 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.400 16.924 11.706 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.748 15.972 11.039 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -7.366 15.879 12.775 1.00 0.00 H new ATOM 600 N GLU A 41 -5.185 11.762 12.310 1.00 0.00 N ATOM 601 CA GLU A 41 -4.237 10.669 12.134 1.00 0.00 C ATOM 602 C GLU A 41 -4.963 9.330 12.029 1.00 0.00 C ATOM 603 O GLU A 41 -4.462 8.385 11.420 1.00 0.00 O ATOM 604 CB GLU A 41 -3.244 10.633 13.297 1.00 0.00 C ATOM 605 CG GLU A 41 -2.325 9.423 13.277 1.00 0.00 C ATOM 606 CD GLU A 41 -1.517 9.326 11.997 1.00 0.00 C ATOM 607 OE1 GLU A 41 -1.094 10.382 11.481 1.00 0.00 O ATOM 608 OE2 GLU A 41 -1.307 8.195 11.512 1.00 0.00 O ATOM 0 H GLU A 41 -5.352 12.024 13.282 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.692 10.841 11.206 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.638 11.539 13.274 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.797 10.643 14.236 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.646 9.473 14.128 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.920 8.517 13.396 1.00 0.00 H new ATOM 615 N LYS A 42 -6.147 9.258 12.629 1.00 0.00 N ATOM 616 CA LYS A 42 -6.944 8.037 12.604 1.00 0.00 C ATOM 617 C LYS A 42 -7.753 7.942 11.314 1.00 0.00 C ATOM 618 O LYS A 42 -7.791 6.895 10.670 1.00 0.00 O ATOM 619 CB LYS A 42 -7.882 7.992 13.812 1.00 0.00 C ATOM 620 CG LYS A 42 -7.760 6.717 14.629 1.00 0.00 C ATOM 621 CD LYS A 42 -7.056 6.969 15.953 1.00 0.00 C ATOM 622 CE LYS A 42 -6.180 5.791 16.351 1.00 0.00 C ATOM 623 NZ LYS A 42 -5.151 6.180 17.354 1.00 0.00 N ATOM 0 H LYS A 42 -6.576 10.031 13.138 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.263 7.187 12.648 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.674 8.847 14.455 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.911 8.096 13.467 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.752 6.307 14.816 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.208 5.970 14.059 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.445 7.869 15.876 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.797 7.152 16.731 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.804 4.996 16.760 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.690 5.387 15.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.574 5.350 17.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.540 6.921 16.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.619 6.542 18.209 1.00 0.00 H new ATOM 637 N ASN A 43 -8.398 9.043 10.943 1.00 0.00 N ATOM 638 CA ASN A 43 -9.206 9.084 9.730 1.00 0.00 C ATOM 639 C ASN A 43 -8.321 9.120 8.488 1.00 0.00 C ATOM 640 O ASN A 43 -8.806 9.009 7.362 1.00 0.00 O ATOM 641 CB ASN A 43 -10.130 10.303 9.748 1.00 0.00 C ATOM 642 CG ASN A 43 -11.355 10.088 10.614 1.00 0.00 C ATOM 643 OD1 ASN A 43 -12.416 9.701 10.124 1.00 0.00 O ATOM 644 ND2 ASN A 43 -11.214 10.338 11.911 1.00 0.00 N ATOM 0 H ASN A 43 -8.377 9.919 11.465 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.812 8.179 9.696 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -9.578 11.169 10.114 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.444 10.532 8.730 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -12.004 10.211 12.544 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.316 10.657 12.274 1.00 0.00 H new ATOM 651 N LYS A 44 -7.018 9.277 8.701 1.00 0.00 N ATOM 652 CA LYS A 44 -6.063 9.326 7.600 1.00 0.00 C ATOM 653 C LYS A 44 -6.323 10.536 6.708 1.00 0.00 C ATOM 654 O LYS A 44 -6.158 10.468 5.490 1.00 0.00 O ATOM 655 CB LYS A 44 -6.142 8.042 6.771 1.00 0.00 C ATOM 656 CG LYS A 44 -6.140 6.776 7.610 1.00 0.00 C ATOM 657 CD LYS A 44 -5.078 5.796 7.139 1.00 0.00 C ATOM 658 CE LYS A 44 -5.553 4.995 5.936 1.00 0.00 C ATOM 659 NZ LYS A 44 -6.261 3.750 6.343 1.00 0.00 N ATOM 0 H LYS A 44 -6.600 9.372 9.626 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.063 9.417 8.024 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.048 8.065 6.166 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.299 8.012 6.081 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.963 7.031 8.655 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.121 6.303 7.559 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.169 6.339 6.880 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.822 5.116 7.952 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.219 5.610 5.330 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.698 4.739 5.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.569 3.233 5.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.618 3.151 6.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.091 3.995 6.919 1.00 0.00 H new ATOM 673 N TYR A 45 -6.728 11.642 7.323 1.00 0.00 N ATOM 674 CA TYR A 45 -7.011 12.867 6.584 1.00 0.00 C ATOM 675 C TYR A 45 -5.720 13.578 6.193 1.00 0.00 C ATOM 676 O TYR A 45 -4.774 13.647 6.978 1.00 0.00 O ATOM 677 CB TYR A 45 -7.888 13.800 7.420 1.00 0.00 C ATOM 678 CG TYR A 45 -8.562 14.884 6.610 1.00 0.00 C ATOM 679 CD1 TYR A 45 -9.353 14.568 5.513 1.00 0.00 C ATOM 680 CD2 TYR A 45 -8.407 16.225 6.942 1.00 0.00 C ATOM 681 CE1 TYR A 45 -9.971 15.556 4.769 1.00 0.00 C ATOM 682 CE2 TYR A 45 -9.022 17.218 6.205 1.00 0.00 C ATOM 683 CZ TYR A 45 -9.803 16.879 5.120 1.00 0.00 C ATOM 684 OH TYR A 45 -10.416 17.866 4.382 1.00 0.00 O ATOM 0 H TYR A 45 -6.868 11.715 8.331 1.00 0.00 H new ATOM 0 HA TYR A 45 -7.545 12.597 5.673 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -8.651 13.210 7.928 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.276 14.264 8.194 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -9.488 13.533 5.236 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.796 16.495 7.790 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.582 15.293 3.918 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.892 18.255 6.477 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.506 17.571 3.452 1.00 0.00 H new ATOM 694 N ASP A 46 -5.688 14.106 4.974 1.00 0.00 N ATOM 695 CA ASP A 46 -4.514 14.814 4.478 1.00 0.00 C ATOM 696 C ASP A 46 -4.135 15.959 5.413 1.00 0.00 C ATOM 697 O ASP A 46 -2.977 16.375 5.463 1.00 0.00 O ATOM 698 CB ASP A 46 -4.775 15.354 3.071 1.00 0.00 C ATOM 699 CG ASP A 46 -3.639 15.048 2.114 1.00 0.00 C ATOM 700 OD1 ASP A 46 -2.473 15.050 2.558 1.00 0.00 O ATOM 701 OD2 ASP A 46 -3.917 14.806 0.920 1.00 0.00 O ATOM 0 H ASP A 46 -6.462 14.057 4.311 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.684 14.109 4.440 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.698 14.922 2.685 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -4.924 16.433 3.121 1.00 0.00 H new ATOM 706 N ALA A 47 -5.118 16.464 6.151 1.00 0.00 N ATOM 707 CA ALA A 47 -4.887 17.560 7.084 1.00 0.00 C ATOM 708 C ALA A 47 -4.455 18.825 6.350 1.00 0.00 C ATOM 709 O ALA A 47 -3.800 19.694 6.924 1.00 0.00 O ATOM 710 CB ALA A 47 -3.840 17.163 8.115 1.00 0.00 C ATOM 0 H ALA A 47 -6.082 16.132 6.121 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.825 17.771 7.597 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.677 17.991 8.805 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.187 16.291 8.669 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.905 16.923 7.610 1.00 0.00 H new ATOM 716 N SER A 48 -4.827 18.921 5.077 1.00 0.00 N ATOM 717 CA SER A 48 -4.475 20.078 4.263 1.00 0.00 C ATOM 718 C SER A 48 -5.707 20.926 3.962 1.00 0.00 C ATOM 719 O SER A 48 -5.754 21.638 2.959 1.00 0.00 O ATOM 720 CB SER A 48 -3.819 19.628 2.956 1.00 0.00 C ATOM 721 OG SER A 48 -4.795 19.294 1.985 1.00 0.00 O ATOM 0 H SER A 48 -5.372 18.211 4.588 1.00 0.00 H new ATOM 0 HA SER A 48 -3.767 20.686 4.826 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.179 20.423 2.574 1.00 0.00 H new ATOM 0 HB3 SER A 48 -3.179 18.766 3.144 1.00 0.00 H new ATOM 0 HG SER A 48 -4.351 19.011 1.158 1.00 0.00 H new ATOM 727 N ALA A 49 -6.704 20.843 4.837 1.00 0.00 N ATOM 728 CA ALA A 49 -7.936 21.603 4.667 1.00 0.00 C ATOM 729 C ALA A 49 -8.356 22.267 5.974 1.00 0.00 C ATOM 730 O ALA A 49 -8.805 23.413 5.981 1.00 0.00 O ATOM 731 CB ALA A 49 -9.046 20.699 4.151 1.00 0.00 C ATOM 0 H ALA A 49 -6.682 20.257 5.671 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.752 22.388 3.934 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.961 21.279 4.029 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.753 20.276 3.190 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.220 19.893 4.864 1.00 0.00 H new ATOM 737 N ILE A 50 -8.207 21.540 7.076 1.00 0.00 N ATOM 738 CA ILE A 50 -8.571 22.060 8.388 1.00 0.00 C ATOM 739 C ILE A 50 -7.929 23.421 8.638 1.00 0.00 C ATOM 740 O ILE A 50 -6.724 23.517 8.871 1.00 0.00 O ATOM 741 CB ILE A 50 -8.153 21.094 9.513 1.00 0.00 C ATOM 742 CG1 ILE A 50 -8.786 19.718 9.294 1.00 0.00 C ATOM 743 CG2 ILE A 50 -8.551 21.657 10.869 1.00 0.00 C ATOM 744 CD1 ILE A 50 -8.412 18.706 10.354 1.00 0.00 C ATOM 0 H ILE A 50 -7.837 20.590 7.086 1.00 0.00 H new ATOM 0 HA ILE A 50 -9.656 22.166 8.395 1.00 0.00 H new ATOM 0 HB ILE A 50 -7.069 20.982 9.492 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -9.870 19.825 9.272 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.483 19.339 8.318 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -8.249 20.963 11.654 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.058 22.617 11.023 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -9.632 21.795 10.903 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -8.896 17.754 10.135 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.331 18.570 10.362 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.739 19.064 11.330 1.00 0.00 H new ATOM 756 N ASP A 51 -8.742 24.470 8.589 1.00 0.00 N ATOM 757 CA ASP A 51 -8.254 25.827 8.812 1.00 0.00 C ATOM 758 C ASP A 51 -7.838 26.021 10.267 1.00 0.00 C ATOM 759 O ASP A 51 -8.629 26.476 11.094 1.00 0.00 O ATOM 760 CB ASP A 51 -9.330 26.847 8.435 1.00 0.00 C ATOM 761 CG ASP A 51 -9.796 26.693 7.001 1.00 0.00 C ATOM 762 OD1 ASP A 51 -10.737 25.907 6.764 1.00 0.00 O ATOM 763 OD2 ASP A 51 -9.219 27.358 6.114 1.00 0.00 O ATOM 0 H ASP A 51 -9.742 24.408 8.397 1.00 0.00 H new ATOM 0 HA ASP A 51 -7.380 25.982 8.179 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.183 26.736 9.105 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.939 27.854 8.581 1.00 0.00 H new ATOM 768 N PHE A 52 -6.593 25.673 10.572 1.00 0.00 N ATOM 769 CA PHE A 52 -6.072 25.808 11.928 1.00 0.00 C ATOM 770 C PHE A 52 -6.215 27.244 12.425 1.00 0.00 C ATOM 771 O PHE A 52 -6.290 27.490 13.629 1.00 0.00 O ATOM 772 CB PHE A 52 -4.603 25.383 11.977 1.00 0.00 C ATOM 773 CG PHE A 52 -4.398 23.909 11.776 1.00 0.00 C ATOM 774 CD1 PHE A 52 -4.438 23.038 12.853 1.00 0.00 C ATOM 775 CD2 PHE A 52 -4.165 23.395 10.511 1.00 0.00 C ATOM 776 CE1 PHE A 52 -4.250 21.680 12.671 1.00 0.00 C ATOM 777 CE2 PHE A 52 -3.977 22.038 10.323 1.00 0.00 C ATOM 778 CZ PHE A 52 -4.018 21.180 11.405 1.00 0.00 C ATOM 0 H PHE A 52 -5.926 25.295 9.899 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.653 25.157 12.581 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.050 25.926 11.211 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.181 25.672 12.940 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.618 23.424 13.846 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.130 24.062 9.662 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.285 21.011 13.518 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.798 21.649 9.331 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.869 20.120 11.261 1.00 0.00 H new ATOM 788 N SER A 53 -6.252 28.187 11.490 1.00 0.00 N ATOM 789 CA SER A 53 -6.382 29.598 11.832 1.00 0.00 C ATOM 790 C SER A 53 -7.809 29.924 12.265 1.00 0.00 C ATOM 791 O SER A 53 -8.039 30.866 13.022 1.00 0.00 O ATOM 792 CB SER A 53 -5.987 30.472 10.640 1.00 0.00 C ATOM 793 OG SER A 53 -7.015 30.501 9.665 1.00 0.00 O ATOM 0 H SER A 53 -6.194 27.999 10.489 1.00 0.00 H new ATOM 0 HA SER A 53 -5.711 29.807 12.665 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.777 31.486 10.982 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.069 30.090 10.194 1.00 0.00 H new ATOM 0 HG SER A 53 -6.738 31.068 8.915 1.00 0.00 H new ATOM 799 N ARG A 54 -8.762 29.137 11.777 1.00 0.00 N ATOM 800 CA ARG A 54 -10.166 29.341 12.111 1.00 0.00 C ATOM 801 C ARG A 54 -10.506 28.692 13.450 1.00 0.00 C ATOM 802 O ARG A 54 -11.513 29.027 14.075 1.00 0.00 O ATOM 803 CB ARG A 54 -11.063 28.767 11.012 1.00 0.00 C ATOM 804 CG ARG A 54 -11.067 29.593 9.737 1.00 0.00 C ATOM 805 CD ARG A 54 -12.455 29.655 9.118 1.00 0.00 C ATOM 806 NE ARG A 54 -12.741 30.967 8.545 1.00 0.00 N ATOM 807 CZ ARG A 54 -12.193 31.413 7.420 1.00 0.00 C ATOM 808 NH1 ARG A 54 -11.336 30.655 6.750 1.00 0.00 N ATOM 809 NH2 ARG A 54 -12.504 32.620 6.962 1.00 0.00 N ATOM 0 H ARG A 54 -8.587 28.352 11.149 1.00 0.00 H new ATOM 0 HA ARG A 54 -10.342 30.414 12.191 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.734 27.755 10.778 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -12.083 28.692 11.389 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -10.719 30.603 9.955 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.367 29.162 9.021 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.540 28.894 8.342 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.201 29.421 9.877 1.00 0.00 H new ATOM 0 HE ARG A 54 -13.398 31.574 9.035 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -11.096 29.727 7.098 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -10.917 31.000 5.887 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -13.164 33.205 7.474 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -12.083 32.962 6.098 1.00 0.00 H new ATOM 823 N CYS A 55 -9.661 27.763 13.883 1.00 0.00 N ATOM 824 CA CYS A 55 -9.873 27.067 15.147 1.00 0.00 C ATOM 825 C CYS A 55 -9.512 27.962 16.328 1.00 0.00 C ATOM 826 O CYS A 55 -8.526 27.721 17.024 1.00 0.00 O ATOM 827 CB CYS A 55 -9.041 25.784 15.191 1.00 0.00 C ATOM 828 SG CYS A 55 -9.176 24.765 13.704 1.00 0.00 S ATOM 0 H CYS A 55 -8.823 27.474 13.378 1.00 0.00 H new ATOM 0 HA CYS A 55 -10.930 26.810 15.220 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -7.994 26.048 15.344 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -9.350 25.193 16.053 1.00 0.00 H new ATOM 0 HG CYS A 55 -8.948 25.497 12.654 1.00 0.00 H new ATOM 834 N ASP A 56 -10.316 28.996 16.547 1.00 0.00 N ATOM 835 CA ASP A 56 -10.082 29.929 17.643 1.00 0.00 C ATOM 836 C ASP A 56 -11.110 29.731 18.753 1.00 0.00 C ATOM 837 O ASP A 56 -11.960 30.589 18.986 1.00 0.00 O ATOM 838 CB ASP A 56 -10.134 31.370 17.135 1.00 0.00 C ATOM 839 CG ASP A 56 -9.456 32.342 18.081 1.00 0.00 C ATOM 840 OD1 ASP A 56 -9.980 32.546 19.196 1.00 0.00 O ATOM 841 OD2 ASP A 56 -8.404 32.900 17.706 1.00 0.00 O ATOM 0 H ASP A 56 -11.136 29.210 15.980 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.090 29.731 18.050 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.655 31.425 16.157 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -11.174 31.667 16.998 1.00 0.00 H new ATOM 846 N MET A 57 -11.025 28.593 19.435 1.00 0.00 N ATOM 847 CA MET A 57 -11.947 28.283 20.521 1.00 0.00 C ATOM 848 C MET A 57 -11.189 27.847 21.771 1.00 0.00 C ATOM 849 O MET A 57 -9.965 27.966 21.839 1.00 0.00 O ATOM 850 CB MET A 57 -12.922 27.184 20.093 1.00 0.00 C ATOM 851 CG MET A 57 -13.508 27.398 18.707 1.00 0.00 C ATOM 852 SD MET A 57 -12.953 26.160 17.519 1.00 0.00 S ATOM 853 CE MET A 57 -14.397 26.027 16.469 1.00 0.00 C ATOM 0 H MET A 57 -10.327 27.871 19.255 1.00 0.00 H new ATOM 0 HA MET A 57 -12.509 29.187 20.755 1.00 0.00 H new ATOM 0 HB2 MET A 57 -12.407 26.224 20.117 1.00 0.00 H new ATOM 0 HB3 MET A 57 -13.734 27.128 20.817 1.00 0.00 H new ATOM 0 HG2 MET A 57 -14.596 27.374 18.769 1.00 0.00 H new ATOM 0 HG3 MET A 57 -13.231 28.389 18.349 1.00 0.00 H new ATOM 0 HE1 MET A 57 -14.209 25.296 15.682 1.00 0.00 H new ATOM 0 HE2 MET A 57 -15.252 25.707 17.065 1.00 0.00 H new ATOM 0 HE3 MET A 57 -14.611 26.997 16.020 1.00 0.00 H new ATOM 863 N ASP A 58 -11.922 27.342 22.757 1.00 0.00 N ATOM 864 CA ASP A 58 -11.318 26.888 24.004 1.00 0.00 C ATOM 865 C ASP A 58 -11.758 25.465 24.334 1.00 0.00 C ATOM 866 O ASP A 58 -10.930 24.568 24.488 1.00 0.00 O ATOM 867 CB ASP A 58 -11.693 27.829 25.149 1.00 0.00 C ATOM 868 CG ASP A 58 -13.115 28.343 25.035 1.00 0.00 C ATOM 869 OD1 ASP A 58 -13.341 29.297 24.261 1.00 0.00 O ATOM 870 OD2 ASP A 58 -14.001 27.791 25.719 1.00 0.00 O ATOM 0 H ASP A 58 -12.936 27.237 22.717 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.235 26.895 23.878 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.574 27.307 26.098 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.004 28.674 25.161 1.00 0.00 H new ATOM 875 N GLY A 59 -13.069 25.265 24.441 1.00 0.00 N ATOM 876 CA GLY A 59 -13.596 23.950 24.754 1.00 0.00 C ATOM 877 C GLY A 59 -15.110 23.903 24.694 1.00 0.00 C ATOM 878 O GLY A 59 -15.683 23.106 23.952 1.00 0.00 O ATOM 0 H GLY A 59 -13.775 25.991 24.316 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -13.185 23.221 24.055 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -13.266 23.657 25.751 1.00 0.00 H new ATOM 882 N ALA A 60 -15.758 24.757 25.478 1.00 0.00 N ATOM 883 CA ALA A 60 -17.215 24.810 25.510 1.00 0.00 C ATOM 884 C ALA A 60 -17.776 25.305 24.182 1.00 0.00 C ATOM 885 O ALA A 60 -18.840 24.868 23.743 1.00 0.00 O ATOM 886 CB ALA A 60 -17.685 25.702 26.650 1.00 0.00 C ATOM 0 H ALA A 60 -15.298 25.422 26.100 1.00 0.00 H new ATOM 0 HA ALA A 60 -17.587 23.799 25.677 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -18.774 25.733 26.662 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -17.322 25.303 27.597 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -17.295 26.710 26.508 1.00 0.00 H new ATOM 892 N THR A 61 -17.054 26.222 23.544 1.00 0.00 N ATOM 893 CA THR A 61 -17.481 26.778 22.267 1.00 0.00 C ATOM 894 C THR A 61 -17.456 25.719 21.170 1.00 0.00 C ATOM 895 O THR A 61 -18.256 25.760 20.234 1.00 0.00 O ATOM 896 CB THR A 61 -16.589 27.960 21.843 1.00 0.00 C ATOM 897 OG1 THR A 61 -16.654 29.000 22.826 1.00 0.00 O ATOM 898 CG2 THR A 61 -17.022 28.507 20.490 1.00 0.00 C ATOM 0 H THR A 61 -16.171 26.595 23.892 1.00 0.00 H new ATOM 0 HA THR A 61 -18.503 27.133 22.403 1.00 0.00 H new ATOM 0 HB THR A 61 -15.563 27.601 21.761 1.00 0.00 H new ATOM 0 HG1 THR A 61 -16.083 29.747 22.550 1.00 0.00 H new ATOM 0 HG21 THR A 61 -16.378 29.341 20.212 1.00 0.00 H new ATOM 0 HG22 THR A 61 -16.944 27.722 19.738 1.00 0.00 H new ATOM 0 HG23 THR A 61 -18.055 28.851 20.550 1.00 0.00 H new ATOM 906 N LEU A 62 -16.534 24.770 21.291 1.00 0.00 N ATOM 907 CA LEU A 62 -16.405 23.699 20.310 1.00 0.00 C ATOM 908 C LEU A 62 -17.629 22.788 20.334 1.00 0.00 C ATOM 909 O LEU A 62 -18.190 22.458 19.289 1.00 0.00 O ATOM 910 CB LEU A 62 -15.141 22.881 20.581 1.00 0.00 C ATOM 911 CG LEU A 62 -14.830 21.773 19.575 1.00 0.00 C ATOM 912 CD1 LEU A 62 -14.253 22.360 18.296 1.00 0.00 C ATOM 913 CD2 LEU A 62 -13.869 20.759 20.178 1.00 0.00 C ATOM 0 H LEU A 62 -15.865 24.721 22.059 1.00 0.00 H new ATOM 0 HA LEU A 62 -16.332 24.153 19.322 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -14.291 23.563 20.614 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -15.228 22.432 21.570 1.00 0.00 H new ATOM 0 HG LEU A 62 -15.760 21.261 19.329 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -14.038 21.556 17.592 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -14.974 23.047 17.853 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -13.333 22.898 18.525 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -13.659 19.978 19.448 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -12.940 21.258 20.453 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -14.319 20.314 21.066 1.00 0.00 H new ATOM 925 N CYS A 63 -18.037 22.387 21.533 1.00 0.00 N ATOM 926 CA CYS A 63 -19.196 21.516 21.694 1.00 0.00 C ATOM 927 C CYS A 63 -20.489 22.272 21.408 1.00 0.00 C ATOM 928 O CYS A 63 -21.494 21.678 21.020 1.00 0.00 O ATOM 929 CB CYS A 63 -19.232 20.937 23.109 1.00 0.00 C ATOM 930 SG CYS A 63 -19.342 19.133 23.166 1.00 0.00 S ATOM 0 H CYS A 63 -17.583 22.651 22.407 1.00 0.00 H new ATOM 0 HA CYS A 63 -19.108 20.700 20.977 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -18.335 21.253 23.642 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -20.084 21.359 23.641 1.00 0.00 H new ATOM 0 HG CYS A 63 -19.364 18.739 24.405 1.00 0.00 H new ATOM 936 N ASN A 64 -20.456 23.586 21.604 1.00 0.00 N ATOM 937 CA ASN A 64 -21.626 24.424 21.369 1.00 0.00 C ATOM 938 C ASN A 64 -21.749 24.785 19.892 1.00 0.00 C ATOM 939 O ASN A 64 -22.845 25.048 19.396 1.00 0.00 O ATOM 940 CB ASN A 64 -21.545 25.698 22.212 1.00 0.00 C ATOM 941 CG ASN A 64 -21.964 25.467 23.651 1.00 0.00 C ATOM 942 OD1 ASN A 64 -21.982 24.333 24.130 1.00 0.00 O ATOM 943 ND2 ASN A 64 -22.303 26.545 24.349 1.00 0.00 N ATOM 0 H ASN A 64 -19.632 24.094 21.925 1.00 0.00 H new ATOM 0 HA ASN A 64 -22.511 23.859 21.661 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -20.524 26.080 22.191 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -22.182 26.464 21.770 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -22.593 26.452 25.322 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -22.273 27.466 23.912 1.00 0.00 H new ATOM 950 N CYS A 65 -20.618 24.795 19.195 1.00 0.00 N ATOM 951 CA CYS A 65 -20.599 25.124 17.774 1.00 0.00 C ATOM 952 C CYS A 65 -21.607 24.276 17.006 1.00 0.00 C ATOM 953 O CYS A 65 -22.001 23.201 17.457 1.00 0.00 O ATOM 954 CB CYS A 65 -19.197 24.915 17.200 1.00 0.00 C ATOM 955 SG CYS A 65 -18.239 26.438 17.017 1.00 0.00 S ATOM 0 H CYS A 65 -19.703 24.579 19.590 1.00 0.00 H new ATOM 0 HA CYS A 65 -20.876 26.173 17.665 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -18.650 24.230 17.847 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -19.283 24.433 16.226 1.00 0.00 H new ATOM 0 HG CYS A 65 -17.276 26.245 16.166 1.00 0.00 H new ATOM 961 N ALA A 66 -22.023 24.768 15.843 1.00 0.00 N ATOM 962 CA ALA A 66 -22.985 24.056 15.012 1.00 0.00 C ATOM 963 C ALA A 66 -22.284 23.077 14.077 1.00 0.00 C ATOM 964 O ALA A 66 -21.104 23.237 13.765 1.00 0.00 O ATOM 965 CB ALA A 66 -23.825 25.042 14.214 1.00 0.00 C ATOM 0 H ALA A 66 -21.708 25.657 15.455 1.00 0.00 H new ATOM 0 HA ALA A 66 -23.641 23.484 15.668 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -24.539 24.496 13.598 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -24.363 25.699 14.898 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -23.175 25.639 13.574 1.00 0.00 H new ATOM 971 N LEU A 67 -23.018 22.062 13.633 1.00 0.00 N ATOM 972 CA LEU A 67 -22.466 21.055 12.733 1.00 0.00 C ATOM 973 C LEU A 67 -21.810 21.709 11.521 1.00 0.00 C ATOM 974 O LEU A 67 -20.610 21.556 11.296 1.00 0.00 O ATOM 975 CB LEU A 67 -23.565 20.094 12.276 1.00 0.00 C ATOM 976 CG LEU A 67 -23.240 19.237 11.052 1.00 0.00 C ATOM 977 CD1 LEU A 67 -21.919 18.509 11.246 1.00 0.00 C ATOM 978 CD2 LEU A 67 -24.362 18.245 10.783 1.00 0.00 C ATOM 0 H LEU A 67 -23.996 21.915 13.881 1.00 0.00 H new ATOM 0 HA LEU A 67 -21.705 20.495 13.277 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -23.808 19.430 13.106 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -24.462 20.675 12.060 1.00 0.00 H new ATOM 0 HG LEU A 67 -23.146 19.894 10.187 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -21.704 17.904 10.365 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -21.120 19.237 11.390 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -21.984 17.864 12.122 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -24.114 17.643 9.909 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -24.487 17.594 11.648 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -25.290 18.786 10.600 1.00 0.00 H new ATOM 990 N GLU A 68 -22.605 22.440 10.746 1.00 0.00 N ATOM 991 CA GLU A 68 -22.100 23.118 9.558 1.00 0.00 C ATOM 992 C GLU A 68 -20.873 23.961 9.894 1.00 0.00 C ATOM 993 O GLU A 68 -19.987 24.145 9.060 1.00 0.00 O ATOM 994 CB GLU A 68 -23.189 24.002 8.947 1.00 0.00 C ATOM 995 CG GLU A 68 -24.330 23.218 8.321 1.00 0.00 C ATOM 996 CD GLU A 68 -23.950 22.597 6.990 1.00 0.00 C ATOM 997 OE1 GLU A 68 -23.126 23.197 6.269 1.00 0.00 O ATOM 998 OE2 GLU A 68 -24.477 21.511 6.671 1.00 0.00 O ATOM 0 H GLU A 68 -23.601 22.578 10.919 1.00 0.00 H new ATOM 0 HA GLU A 68 -21.810 22.358 8.832 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -23.591 24.656 9.721 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -22.741 24.644 8.188 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -24.646 22.432 9.007 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -25.185 23.879 8.178 1.00 0.00 H new ATOM 1005 N GLU A 69 -20.831 24.472 11.120 1.00 0.00 N ATOM 1006 CA GLU A 69 -19.714 25.298 11.565 1.00 0.00 C ATOM 1007 C GLU A 69 -18.420 24.489 11.600 1.00 0.00 C ATOM 1008 O GLU A 69 -17.406 24.894 11.032 1.00 0.00 O ATOM 1009 CB GLU A 69 -20.002 25.881 12.950 1.00 0.00 C ATOM 1010 CG GLU A 69 -20.086 27.398 12.967 1.00 0.00 C ATOM 1011 CD GLU A 69 -20.925 27.924 14.115 1.00 0.00 C ATOM 1012 OE1 GLU A 69 -22.065 27.443 14.286 1.00 0.00 O ATOM 1013 OE2 GLU A 69 -20.441 28.816 14.843 1.00 0.00 O ATOM 0 H GLU A 69 -21.557 24.329 11.823 1.00 0.00 H new ATOM 0 HA GLU A 69 -19.593 26.115 10.853 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -20.941 25.469 13.320 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -19.220 25.561 13.639 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -19.080 27.813 13.037 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -20.509 27.745 12.024 1.00 0.00 H new ATOM 1020 N LEU A 70 -18.464 23.344 12.273 1.00 0.00 N ATOM 1021 CA LEU A 70 -17.295 22.478 12.384 1.00 0.00 C ATOM 1022 C LEU A 70 -16.781 22.078 11.004 1.00 0.00 C ATOM 1023 O LEU A 70 -15.582 21.868 10.815 1.00 0.00 O ATOM 1024 CB LEU A 70 -17.639 21.227 13.194 1.00 0.00 C ATOM 1025 CG LEU A 70 -18.334 21.465 14.535 1.00 0.00 C ATOM 1026 CD1 LEU A 70 -18.716 20.143 15.181 1.00 0.00 C ATOM 1027 CD2 LEU A 70 -17.440 22.276 15.462 1.00 0.00 C ATOM 0 H LEU A 70 -19.295 22.994 12.749 1.00 0.00 H new ATOM 0 HA LEU A 70 -16.510 23.032 12.898 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -18.279 20.589 12.584 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -16.718 20.673 13.378 1.00 0.00 H new ATOM 0 HG LEU A 70 -19.246 22.033 14.354 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -19.209 20.333 16.134 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -19.394 19.599 14.523 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -17.819 19.548 15.349 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -17.950 22.436 16.412 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -16.510 21.734 15.636 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -17.218 23.239 15.003 1.00 0.00 H new ATOM 1039 N ARG A 71 -17.694 21.978 10.044 1.00 0.00 N ATOM 1040 CA ARG A 71 -17.332 21.605 8.682 1.00 0.00 C ATOM 1041 C ARG A 71 -16.710 22.786 7.942 1.00 0.00 C ATOM 1042 O ARG A 71 -16.078 22.615 6.899 1.00 0.00 O ATOM 1043 CB ARG A 71 -18.563 21.105 7.923 1.00 0.00 C ATOM 1044 CG ARG A 71 -19.279 19.956 8.614 1.00 0.00 C ATOM 1045 CD ARG A 71 -20.730 19.857 8.170 1.00 0.00 C ATOM 1046 NE ARG A 71 -21.009 18.595 7.490 1.00 0.00 N ATOM 1047 CZ ARG A 71 -20.717 18.367 6.214 1.00 0.00 C ATOM 1048 NH1 ARG A 71 -20.140 19.311 5.484 1.00 0.00 N ATOM 1049 NH2 ARG A 71 -21.002 17.192 5.667 1.00 0.00 N ATOM 0 H ARG A 71 -18.690 22.150 10.184 1.00 0.00 H new ATOM 0 HA ARG A 71 -16.596 20.803 8.735 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -19.261 21.932 7.795 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -18.260 20.786 6.926 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -18.765 19.020 8.394 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -19.237 20.096 9.694 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -21.382 19.953 9.038 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -20.963 20.687 7.503 1.00 0.00 H new ATOM 0 HE ARG A 71 -21.452 17.848 8.024 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -19.919 20.215 5.902 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -19.917 19.133 4.505 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -21.445 16.463 6.226 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -20.778 17.018 4.687 1.00 0.00 H new ATOM 1063 N LEU A 72 -16.893 23.982 8.489 1.00 0.00 N ATOM 1064 CA LEU A 72 -16.351 25.193 7.881 1.00 0.00 C ATOM 1065 C LEU A 72 -14.976 25.521 8.454 1.00 0.00 C ATOM 1066 O LEU A 72 -14.200 26.260 7.849 1.00 0.00 O ATOM 1067 CB LEU A 72 -17.302 26.369 8.102 1.00 0.00 C ATOM 1068 CG LEU A 72 -17.977 26.932 6.851 1.00 0.00 C ATOM 1069 CD1 LEU A 72 -19.373 26.350 6.689 1.00 0.00 C ATOM 1070 CD2 LEU A 72 -18.035 28.451 6.913 1.00 0.00 C ATOM 0 H LEU A 72 -17.412 24.140 9.352 1.00 0.00 H new ATOM 0 HA LEU A 72 -16.246 25.016 6.811 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -18.079 26.056 8.800 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -16.747 27.174 8.584 1.00 0.00 H new ATOM 0 HG LEU A 72 -17.383 26.646 5.983 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -19.837 26.763 5.793 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -19.307 25.266 6.597 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -19.976 26.604 7.560 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -18.519 28.834 6.014 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -18.605 28.758 7.790 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -17.023 28.851 6.979 1.00 0.00 H new ATOM 1082 N VAL A 73 -14.680 24.964 9.625 1.00 0.00 N ATOM 1083 CA VAL A 73 -13.398 25.194 10.279 1.00 0.00 C ATOM 1084 C VAL A 73 -12.456 24.014 10.073 1.00 0.00 C ATOM 1085 O VAL A 73 -11.254 24.192 9.872 1.00 0.00 O ATOM 1086 CB VAL A 73 -13.574 25.439 11.789 1.00 0.00 C ATOM 1087 CG1 VAL A 73 -12.222 25.627 12.461 1.00 0.00 C ATOM 1088 CG2 VAL A 73 -14.472 26.643 12.032 1.00 0.00 C ATOM 0 H VAL A 73 -15.312 24.350 10.140 1.00 0.00 H new ATOM 0 HA VAL A 73 -12.965 26.084 9.822 1.00 0.00 H new ATOM 0 HB VAL A 73 -14.052 24.563 12.228 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -12.367 25.799 13.528 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.616 24.732 12.317 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.713 26.485 12.021 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -14.586 26.802 13.104 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -14.024 27.528 11.580 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -15.450 26.463 11.586 1.00 0.00 H new ATOM 1098 N PHE A 74 -13.009 22.806 10.123 1.00 0.00 N ATOM 1099 CA PHE A 74 -12.218 21.595 9.942 1.00 0.00 C ATOM 1100 C PHE A 74 -12.463 20.986 8.564 1.00 0.00 C ATOM 1101 O PHE A 74 -12.246 19.794 8.353 1.00 0.00 O ATOM 1102 CB PHE A 74 -12.555 20.573 11.030 1.00 0.00 C ATOM 1103 CG PHE A 74 -12.697 21.179 12.398 1.00 0.00 C ATOM 1104 CD1 PHE A 74 -11.618 21.791 13.014 1.00 0.00 C ATOM 1105 CD2 PHE A 74 -13.910 21.137 13.066 1.00 0.00 C ATOM 1106 CE1 PHE A 74 -11.746 22.348 14.273 1.00 0.00 C ATOM 1107 CE2 PHE A 74 -14.045 21.693 14.324 1.00 0.00 C ATOM 1108 CZ PHE A 74 -12.961 22.300 14.928 1.00 0.00 C ATOM 0 H PHE A 74 -14.002 22.640 10.287 1.00 0.00 H new ATOM 0 HA PHE A 74 -11.165 21.864 10.019 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -13.484 20.067 10.767 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -11.775 19.812 11.057 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -10.666 21.834 12.505 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -14.761 20.664 12.598 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -10.897 22.820 14.744 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -14.996 21.653 14.834 1.00 0.00 H new ATOM 0 HZ PHE A 74 -13.063 22.736 15.911 1.00 0.00 H new ATOM 1118 N GLY A 75 -12.916 21.816 7.629 1.00 0.00 N ATOM 1119 CA GLY A 75 -13.183 21.342 6.284 1.00 0.00 C ATOM 1120 C GLY A 75 -14.235 20.251 6.252 1.00 0.00 C ATOM 1121 O GLY A 75 -15.140 20.207 7.086 1.00 0.00 O ATOM 0 H GLY A 75 -13.103 22.807 7.779 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.512 22.178 5.666 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.259 20.965 5.845 1.00 0.00 H new ATOM 1125 N PRO A 76 -14.125 19.346 5.268 1.00 0.00 N ATOM 1126 CA PRO A 76 -15.067 18.234 5.106 1.00 0.00 C ATOM 1127 C PRO A 76 -14.930 17.194 6.212 1.00 0.00 C ATOM 1128 O PRO A 76 -15.728 16.259 6.301 1.00 0.00 O ATOM 1129 CB PRO A 76 -14.675 17.632 3.754 1.00 0.00 C ATOM 1130 CG PRO A 76 -13.242 17.999 3.577 1.00 0.00 C ATOM 1131 CD PRO A 76 -13.072 19.338 4.238 1.00 0.00 C ATOM 0 HA PRO A 76 -16.104 18.567 5.155 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -14.810 16.550 3.748 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -15.289 18.034 2.948 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -12.589 17.254 4.032 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -12.980 18.050 2.520 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -12.080 19.447 4.677 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -13.198 20.156 3.528 1.00 0.00 H new ATOM 1139 N LEU A 77 -13.916 17.360 7.053 1.00 0.00 N ATOM 1140 CA LEU A 77 -13.675 16.435 8.155 1.00 0.00 C ATOM 1141 C LEU A 77 -14.666 16.672 9.291 1.00 0.00 C ATOM 1142 O LEU A 77 -14.933 15.777 10.091 1.00 0.00 O ATOM 1143 CB LEU A 77 -12.244 16.587 8.671 1.00 0.00 C ATOM 1144 CG LEU A 77 -11.815 15.603 9.761 1.00 0.00 C ATOM 1145 CD1 LEU A 77 -12.099 14.173 9.330 1.00 0.00 C ATOM 1146 CD2 LEU A 77 -10.340 15.781 10.089 1.00 0.00 C ATOM 0 H LEU A 77 -13.247 18.127 6.993 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.814 15.420 7.782 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -11.562 16.483 7.827 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -12.123 17.600 9.056 1.00 0.00 H new ATOM 0 HG LEU A 77 -12.394 15.811 10.661 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.787 13.487 10.118 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -13.167 14.054 9.146 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -11.547 13.952 8.417 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -10.052 15.073 10.866 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.744 15.600 9.195 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.166 16.798 10.442 1.00 0.00 H new ATOM 1158 N GLY A 78 -15.208 17.884 9.353 1.00 0.00 N ATOM 1159 CA GLY A 78 -16.165 18.216 10.393 1.00 0.00 C ATOM 1160 C GLY A 78 -17.299 17.214 10.479 1.00 0.00 C ATOM 1161 O GLY A 78 -17.767 16.888 11.570 1.00 0.00 O ATOM 0 H GLY A 78 -15.002 18.642 8.702 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -15.652 18.262 11.353 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -16.575 19.208 10.202 1.00 0.00 H new ATOM 1165 N ASP A 79 -17.744 16.726 9.326 1.00 0.00 N ATOM 1166 CA ASP A 79 -18.831 15.756 9.275 1.00 0.00 C ATOM 1167 C ASP A 79 -18.511 14.536 10.133 1.00 0.00 C ATOM 1168 O ASP A 79 -19.413 13.851 10.615 1.00 0.00 O ATOM 1169 CB ASP A 79 -19.091 15.324 7.831 1.00 0.00 C ATOM 1170 CG ASP A 79 -20.376 14.533 7.685 1.00 0.00 C ATOM 1171 OD1 ASP A 79 -21.461 15.151 7.724 1.00 0.00 O ATOM 1172 OD2 ASP A 79 -20.296 13.297 7.531 1.00 0.00 O ATOM 0 H ASP A 79 -17.368 16.987 8.414 1.00 0.00 H new ATOM 0 HA ASP A 79 -19.728 16.232 9.671 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -19.137 16.207 7.194 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -18.254 14.720 7.479 1.00 0.00 H new ATOM 1177 N GLN A 80 -17.222 14.271 10.319 1.00 0.00 N ATOM 1178 CA GLN A 80 -16.784 13.132 11.118 1.00 0.00 C ATOM 1179 C GLN A 80 -16.532 13.546 12.564 1.00 0.00 C ATOM 1180 O GLN A 80 -16.971 12.875 13.499 1.00 0.00 O ATOM 1181 CB GLN A 80 -15.516 12.521 10.521 1.00 0.00 C ATOM 1182 CG GLN A 80 -15.755 11.772 9.220 1.00 0.00 C ATOM 1183 CD GLN A 80 -16.886 10.768 9.324 1.00 0.00 C ATOM 1184 OE1 GLN A 80 -16.828 9.830 10.120 1.00 0.00 O ATOM 1185 NE2 GLN A 80 -17.924 10.959 8.519 1.00 0.00 N ATOM 0 H GLN A 80 -16.463 14.829 9.928 1.00 0.00 H new ATOM 0 HA GLN A 80 -17.578 12.385 11.107 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -14.789 13.314 10.346 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -15.075 11.839 11.248 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -15.981 12.488 8.429 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -14.841 11.255 8.930 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -17.931 11.750 7.874 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -18.715 10.315 8.545 1.00 0.00 H new ATOM 1194 N LEU A 81 -15.822 14.655 12.740 1.00 0.00 N ATOM 1195 CA LEU A 81 -15.510 15.159 14.073 1.00 0.00 C ATOM 1196 C LEU A 81 -16.783 15.373 14.886 1.00 0.00 C ATOM 1197 O LEU A 81 -16.839 15.041 16.071 1.00 0.00 O ATOM 1198 CB LEU A 81 -14.728 16.471 13.974 1.00 0.00 C ATOM 1199 CG LEU A 81 -13.377 16.394 13.262 1.00 0.00 C ATOM 1200 CD1 LEU A 81 -12.917 17.781 12.840 1.00 0.00 C ATOM 1201 CD2 LEU A 81 -12.338 15.736 14.158 1.00 0.00 C ATOM 0 H LEU A 81 -15.452 15.222 11.977 1.00 0.00 H new ATOM 0 HA LEU A 81 -14.897 14.415 14.581 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -15.348 17.202 13.456 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -14.564 16.850 14.983 1.00 0.00 H new ATOM 0 HG LEU A 81 -13.494 15.784 12.367 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.954 17.707 12.335 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -13.650 18.217 12.161 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.817 18.415 13.721 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.383 15.690 13.635 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.223 16.320 15.071 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -12.662 14.727 14.411 1.00 0.00 H new ATOM 1213 N HIS A 82 -17.804 15.928 14.242 1.00 0.00 N ATOM 1214 CA HIS A 82 -19.078 16.184 14.904 1.00 0.00 C ATOM 1215 C HIS A 82 -19.595 14.924 15.593 1.00 0.00 C ATOM 1216 O HIS A 82 -19.976 14.956 16.762 1.00 0.00 O ATOM 1217 CB HIS A 82 -20.110 16.687 13.895 1.00 0.00 C ATOM 1218 CG HIS A 82 -21.448 16.980 14.501 1.00 0.00 C ATOM 1219 ND1 HIS A 82 -21.881 18.044 15.217 1.00 0.00 N flip ATOM 1220 CD2 HIS A 82 -22.523 16.122 14.404 1.00 0.00 C flip ATOM 1221 CE1 HIS A 82 -23.197 17.812 15.535 1.00 0.00 C flip ATOM 1222 NE2 HIS A 82 -23.560 16.646 15.033 1.00 0.00 N flip ATOM 0 H HIS A 82 -17.774 16.209 13.262 1.00 0.00 H new ATOM 0 HA HIS A 82 -18.918 16.952 15.661 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -19.730 17.591 13.419 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -20.232 15.941 13.110 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -21.332 18.865 15.473 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -22.518 15.170 13.894 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -23.832 18.476 16.103 1.00 0.00 H new ATOM 1230 N ALA A 83 -19.605 13.816 14.858 1.00 0.00 N ATOM 1231 CA ALA A 83 -20.074 12.546 15.399 1.00 0.00 C ATOM 1232 C ALA A 83 -19.338 12.193 16.687 1.00 0.00 C ATOM 1233 O ALA A 83 -19.922 11.624 17.609 1.00 0.00 O ATOM 1234 CB ALA A 83 -19.901 11.439 14.369 1.00 0.00 C ATOM 0 H ALA A 83 -19.294 13.773 13.888 1.00 0.00 H new ATOM 0 HA ALA A 83 -21.134 12.647 15.634 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -20.255 10.496 14.785 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -20.477 11.680 13.476 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -18.847 11.347 14.107 1.00 0.00 H new ATOM 1240 N GLN A 84 -18.054 12.533 16.742 1.00 0.00 N ATOM 1241 CA GLN A 84 -17.240 12.249 17.917 1.00 0.00 C ATOM 1242 C GLN A 84 -17.608 13.175 19.072 1.00 0.00 C ATOM 1243 O GLN A 84 -17.935 12.718 20.168 1.00 0.00 O ATOM 1244 CB GLN A 84 -15.754 12.399 17.583 1.00 0.00 C ATOM 1245 CG GLN A 84 -15.200 11.254 16.749 1.00 0.00 C ATOM 1246 CD GLN A 84 -14.217 10.395 17.519 1.00 0.00 C ATOM 1247 OE1 GLN A 84 -13.158 10.865 17.936 1.00 0.00 O ATOM 1248 NE2 GLN A 84 -14.562 9.127 17.711 1.00 0.00 N ATOM 0 H GLN A 84 -17.556 13.005 15.987 1.00 0.00 H new ATOM 0 HA GLN A 84 -17.436 11.221 18.222 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -15.603 13.335 17.045 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -15.187 12.469 18.511 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -16.024 10.632 16.399 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -14.708 11.658 15.864 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -15.450 8.779 17.348 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -13.939 8.501 18.222 1.00 0.00 H new ATOM 1257 N LEU A 85 -17.554 14.478 18.819 1.00 0.00 N ATOM 1258 CA LEU A 85 -17.882 15.469 19.838 1.00 0.00 C ATOM 1259 C LEU A 85 -19.279 15.229 20.402 1.00 0.00 C ATOM 1260 O LEU A 85 -19.572 15.599 21.538 1.00 0.00 O ATOM 1261 CB LEU A 85 -17.791 16.880 19.253 1.00 0.00 C ATOM 1262 CG LEU A 85 -16.407 17.528 19.275 1.00 0.00 C ATOM 1263 CD1 LEU A 85 -16.415 18.832 18.492 1.00 0.00 C ATOM 1264 CD2 LEU A 85 -15.953 17.767 20.708 1.00 0.00 C ATOM 0 H LEU A 85 -17.286 14.873 17.917 1.00 0.00 H new ATOM 0 HA LEU A 85 -17.161 15.371 20.650 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -18.138 16.846 18.220 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -18.480 17.523 19.800 1.00 0.00 H new ATOM 0 HG LEU A 85 -15.701 16.847 18.800 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -15.421 19.279 18.519 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -16.696 18.634 17.458 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -17.134 19.520 18.938 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -14.966 18.229 20.705 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -16.661 18.428 21.209 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -15.907 16.816 21.238 1.00 0.00 H new ATOM 1276 N ARG A 86 -20.135 14.604 19.600 1.00 0.00 N ATOM 1277 CA ARG A 86 -21.501 14.313 20.020 1.00 0.00 C ATOM 1278 C ARG A 86 -21.533 13.130 20.983 1.00 0.00 C ATOM 1279 O ARG A 86 -22.423 13.029 21.827 1.00 0.00 O ATOM 1280 CB ARG A 86 -22.379 14.017 18.802 1.00 0.00 C ATOM 1281 CG ARG A 86 -22.968 15.262 18.159 1.00 0.00 C ATOM 1282 CD ARG A 86 -24.482 15.173 18.057 1.00 0.00 C ATOM 1283 NE ARG A 86 -25.147 15.892 19.140 1.00 0.00 N ATOM 1284 CZ ARG A 86 -26.446 16.172 19.148 1.00 0.00 C ATOM 1285 NH1 ARG A 86 -27.215 15.795 18.136 1.00 0.00 N ATOM 1286 NH2 ARG A 86 -26.978 16.830 20.170 1.00 0.00 N ATOM 0 H ARG A 86 -19.907 14.290 18.657 1.00 0.00 H new ATOM 0 HA ARG A 86 -21.891 15.190 20.536 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -21.788 13.480 18.060 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -23.191 13.355 19.102 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -22.693 16.140 18.744 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -22.542 15.395 17.164 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -24.805 15.581 17.099 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -24.786 14.126 18.077 1.00 0.00 H new ATOM 0 HE ARG A 86 -24.584 16.196 19.934 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -26.810 15.289 17.349 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -28.212 16.011 18.145 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -26.390 17.122 20.951 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -27.975 17.044 20.175 1.00 0.00 H new ATOM 1300 N ASP A 87 -20.557 12.239 20.850 1.00 0.00 N ATOM 1301 CA ASP A 87 -20.473 11.063 21.709 1.00 0.00 C ATOM 1302 C ASP A 87 -19.726 11.385 22.999 1.00 0.00 C ATOM 1303 O ASP A 87 -20.092 10.912 24.076 1.00 0.00 O ATOM 1304 CB ASP A 87 -19.777 9.917 20.973 1.00 0.00 C ATOM 1305 CG ASP A 87 -20.724 8.779 20.646 1.00 0.00 C ATOM 1306 OD1 ASP A 87 -21.296 8.193 21.589 1.00 0.00 O ATOM 1307 OD2 ASP A 87 -20.894 8.476 19.447 1.00 0.00 O ATOM 0 H ASP A 87 -19.813 12.308 20.156 1.00 0.00 H new ATOM 0 HA ASP A 87 -21.487 10.757 21.965 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -19.337 10.296 20.051 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -18.958 9.540 21.586 1.00 0.00 H new ATOM 1312 N LEU A 88 -18.676 12.191 22.883 1.00 0.00 N ATOM 1313 CA LEU A 88 -17.876 12.575 24.041 1.00 0.00 C ATOM 1314 C LEU A 88 -18.759 13.125 25.156 1.00 0.00 C ATOM 1315 O LEU A 88 -18.444 12.987 26.338 1.00 0.00 O ATOM 1316 CB LEU A 88 -16.832 13.620 23.640 1.00 0.00 C ATOM 1317 CG LEU A 88 -15.671 13.114 22.783 1.00 0.00 C ATOM 1318 CD1 LEU A 88 -14.983 14.273 22.079 1.00 0.00 C ATOM 1319 CD2 LEU A 88 -14.677 12.339 23.636 1.00 0.00 C ATOM 0 H LEU A 88 -18.359 12.591 22.000 1.00 0.00 H new ATOM 0 HA LEU A 88 -17.368 11.685 24.411 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -17.337 14.419 23.097 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -16.422 14.062 24.548 1.00 0.00 H new ATOM 0 HG LEU A 88 -16.070 12.441 22.024 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -14.159 13.894 21.474 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -15.699 14.785 21.437 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -14.596 14.972 22.821 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -13.857 11.986 23.010 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -14.283 12.989 24.417 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -15.178 11.485 24.093 1.00 0.00 H new