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 30:sc= 0 USER MOD Set 1.2: A 84 GLN : amide:sc= -0.0124 X(o=-0.012,f=0.4) USER MOD Set 2.1: A 57 MET CE :methyl 163:sc= -0.585 (180deg=-1.33) USER MOD Set 2.2: A 65 CYS SG : rot 67:sc= -0.0262 USER MOD Set 3.1: A 25 GLN : amide:sc= -0.162 K(o=0.83,f=-0.37) USER MOD Set 3.2: A 63 CYS SG : rot -33:sc= 0.994 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -2.4 K(o=-2.4,f=-2.9!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -2.82! C(o=-2.8!,f=-7.9!) USER MOD Single : A 42 LYS NZ :NH3+ -120:sc= -0.432 (180deg=-2.52!) 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= -1.34 USER MOD Single : A 48 SER OG : rot 69:sc= 0.489 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 38:sc= 0.528 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0.522 K(o=0.52,f=0) USER MOD Single : A 80 GLN : amide:sc= -0.333 X(o=-0.33,f=-0.33) USER MOD Single : A 82 HIS : no HD1:sc= -0.191 X(o=-0.19,f=-0.56) USER MOD ----------------------------------------------------------------- ATOM 203 N ALA A 17 -3.819 11.581 26.808 1.00 0.00 N ATOM 204 CA ALA A 17 -4.256 12.697 25.978 1.00 0.00 C ATOM 205 C ALA A 17 -4.626 13.905 26.832 1.00 0.00 C ATOM 206 O ALA A 17 -5.280 13.769 27.866 1.00 0.00 O ATOM 207 CB ALA A 17 -5.434 12.280 25.111 1.00 0.00 C ATOM 0 HA ALA A 17 -3.427 12.983 25.331 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.750 13.123 24.497 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.137 11.453 24.467 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.261 11.965 25.748 1.00 0.00 H new ATOM 213 N SER A 18 -4.202 15.086 26.394 1.00 0.00 N ATOM 214 CA SER A 18 -4.486 16.318 27.121 1.00 0.00 C ATOM 215 C SER A 18 -5.989 16.563 27.209 1.00 0.00 C ATOM 216 O SER A 18 -6.454 17.337 28.046 1.00 0.00 O ATOM 217 CB SER A 18 -3.803 17.505 26.440 1.00 0.00 C ATOM 218 OG SER A 18 -4.203 17.615 25.085 1.00 0.00 O ATOM 0 H SER A 18 -3.661 15.216 25.539 1.00 0.00 H new ATOM 0 HA SER A 18 -4.093 16.213 28.132 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.050 18.424 26.971 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.721 17.386 26.494 1.00 0.00 H new ATOM 0 HG SER A 18 -3.754 18.382 24.673 1.00 0.00 H new ATOM 224 N TRP A 19 -6.742 15.898 26.341 1.00 0.00 N ATOM 225 CA TRP A 19 -8.193 16.043 26.320 1.00 0.00 C ATOM 226 C TRP A 19 -8.875 14.767 26.802 1.00 0.00 C ATOM 227 O TRP A 19 -10.065 14.558 26.562 1.00 0.00 O ATOM 228 CB TRP A 19 -8.671 16.389 24.909 1.00 0.00 C ATOM 229 CG TRP A 19 -8.024 15.559 23.842 1.00 0.00 C ATOM 230 CD1 TRP A 19 -6.896 15.866 23.136 1.00 0.00 C ATOM 231 CD2 TRP A 19 -8.467 14.286 23.359 1.00 0.00 C ATOM 232 NE1 TRP A 19 -6.611 14.861 22.243 1.00 0.00 N ATOM 233 CE2 TRP A 19 -7.559 13.880 22.361 1.00 0.00 C ATOM 234 CE3 TRP A 19 -9.540 13.448 23.674 1.00 0.00 C ATOM 235 CZ2 TRP A 19 -7.696 12.675 21.677 1.00 0.00 C ATOM 236 CZ3 TRP A 19 -9.675 12.253 22.994 1.00 0.00 C ATOM 237 CH2 TRP A 19 -8.756 11.874 22.006 1.00 0.00 C ATOM 0 H TRP A 19 -6.372 15.253 25.643 1.00 0.00 H new ATOM 0 HA TRP A 19 -8.462 16.854 26.997 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -9.752 16.257 24.857 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -8.469 17.442 24.713 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -6.313 16.767 23.261 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -5.822 14.848 21.597 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -10.252 13.730 24.436 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -6.990 12.383 20.913 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -10.503 11.600 23.228 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -8.887 10.932 21.494 1.00 0.00 H new ATOM 248 N LEU A 20 -8.115 13.917 27.484 1.00 0.00 N ATOM 249 CA LEU A 20 -8.646 12.661 28.001 1.00 0.00 C ATOM 250 C LEU A 20 -8.858 12.739 29.509 1.00 0.00 C ATOM 251 O LEU A 20 -7.922 12.995 30.266 1.00 0.00 O ATOM 252 CB LEU A 20 -7.699 11.507 27.667 1.00 0.00 C ATOM 253 CG LEU A 20 -8.167 10.551 26.569 1.00 0.00 C ATOM 254 CD1 LEU A 20 -7.083 9.533 26.250 1.00 0.00 C ATOM 255 CD2 LEU A 20 -9.453 9.851 26.984 1.00 0.00 C ATOM 0 H LEU A 20 -7.129 14.075 27.692 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.610 12.481 27.526 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -6.738 11.927 27.370 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.528 10.929 28.575 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.367 11.132 25.669 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.434 8.861 25.467 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.186 10.051 25.909 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.851 8.956 27.145 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -9.771 9.175 26.191 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -9.279 9.282 27.898 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -10.231 10.594 27.161 1.00 0.00 H new ATOM 267 N GLY A 21 -10.096 12.514 29.941 1.00 0.00 N ATOM 268 CA GLY A 21 -10.408 12.561 31.357 1.00 0.00 C ATOM 269 C GLY A 21 -11.321 13.719 31.711 1.00 0.00 C ATOM 270 O GLY A 21 -11.954 13.717 32.766 1.00 0.00 O ATOM 0 H GLY A 21 -10.888 12.300 29.335 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -10.882 11.625 31.653 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -9.483 12.644 31.927 1.00 0.00 H new ATOM 274 N GLU A 22 -11.386 14.710 30.828 1.00 0.00 N ATOM 275 CA GLU A 22 -12.227 15.880 31.056 1.00 0.00 C ATOM 276 C GLU A 22 -13.245 16.046 29.931 1.00 0.00 C ATOM 277 O GLU A 22 -12.946 15.781 28.767 1.00 0.00 O ATOM 278 CB GLU A 22 -11.365 17.140 31.169 1.00 0.00 C ATOM 279 CG GLU A 22 -12.098 18.326 31.774 1.00 0.00 C ATOM 280 CD GLU A 22 -12.241 18.216 33.279 1.00 0.00 C ATOM 281 OE1 GLU A 22 -11.351 17.616 33.917 1.00 0.00 O ATOM 282 OE2 GLU A 22 -13.242 18.731 33.820 1.00 0.00 O ATOM 0 H GLU A 22 -10.868 14.727 29.950 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.766 15.732 31.991 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.488 16.917 31.777 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.004 17.414 30.177 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.562 19.243 31.530 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.087 18.405 31.323 1.00 0.00 H new ATOM 289 N GLN A 23 -14.447 16.485 30.289 1.00 0.00 N ATOM 290 CA GLN A 23 -15.509 16.684 29.310 1.00 0.00 C ATOM 291 C GLN A 23 -15.090 17.698 28.251 1.00 0.00 C ATOM 292 O GLN A 23 -14.172 18.494 28.448 1.00 0.00 O ATOM 293 CB GLN A 23 -16.789 17.154 30.004 1.00 0.00 C ATOM 294 CG GLN A 23 -17.837 16.062 30.151 1.00 0.00 C ATOM 295 CD GLN A 23 -19.236 16.617 30.337 1.00 0.00 C ATOM 296 OE1 GLN A 23 -20.043 16.621 29.407 1.00 0.00 O ATOM 297 NE2 GLN A 23 -19.530 17.090 31.542 1.00 0.00 N ATOM 0 H GLN A 23 -14.710 16.709 31.249 1.00 0.00 H new ATOM 0 HA GLN A 23 -15.699 15.730 28.818 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -16.536 17.539 30.992 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -17.216 17.982 29.439 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -17.818 15.424 29.267 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -17.583 15.433 31.004 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -18.830 17.067 32.284 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -20.456 17.477 31.726 1.00 0.00 H new ATOM 306 N PRO A 24 -15.778 17.670 27.100 1.00 0.00 N ATOM 307 CA PRO A 24 -15.494 18.581 25.986 1.00 0.00 C ATOM 308 C PRO A 24 -15.888 20.020 26.300 1.00 0.00 C ATOM 309 O PRO A 24 -15.575 20.938 25.541 1.00 0.00 O ATOM 310 CB PRO A 24 -16.355 18.028 24.848 1.00 0.00 C ATOM 311 CG PRO A 24 -17.468 17.310 25.529 1.00 0.00 C ATOM 312 CD PRO A 24 -16.885 16.748 26.796 1.00 0.00 C ATOM 0 HA PRO A 24 -14.430 18.621 25.753 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -16.731 18.829 24.211 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -15.782 17.356 24.209 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -18.294 17.987 25.746 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -17.865 16.516 24.896 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -17.620 16.724 27.600 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -16.531 15.727 26.657 1.00 0.00 H new ATOM 320 N GLN A 25 -16.574 20.210 27.422 1.00 0.00 N ATOM 321 CA GLN A 25 -17.010 21.539 27.835 1.00 0.00 C ATOM 322 C GLN A 25 -15.908 22.258 28.606 1.00 0.00 C ATOM 323 O GLN A 25 -15.876 23.488 28.663 1.00 0.00 O ATOM 324 CB GLN A 25 -18.270 21.441 28.696 1.00 0.00 C ATOM 325 CG GLN A 25 -19.321 20.498 28.131 1.00 0.00 C ATOM 326 CD GLN A 25 -20.710 21.105 28.131 1.00 0.00 C ATOM 327 OE1 GLN A 25 -20.881 22.293 27.854 1.00 0.00 O ATOM 328 NE2 GLN A 25 -21.712 20.291 28.441 1.00 0.00 N ATOM 0 H GLN A 25 -16.840 19.461 28.061 1.00 0.00 H new ATOM 0 HA GLN A 25 -17.236 22.115 26.937 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -17.992 21.105 29.695 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -18.705 22.435 28.803 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -19.048 20.225 27.112 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -19.331 19.578 28.716 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -21.525 19.313 28.664 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -22.669 20.643 28.456 1.00 0.00 H new ATOM 337 N PHE A 26 -15.005 21.484 29.199 1.00 0.00 N ATOM 338 CA PHE A 26 -13.902 22.047 29.969 1.00 0.00 C ATOM 339 C PHE A 26 -12.573 21.830 29.252 1.00 0.00 C ATOM 340 O PHE A 26 -11.584 21.425 29.865 1.00 0.00 O ATOM 341 CB PHE A 26 -13.851 21.418 31.363 1.00 0.00 C ATOM 342 CG PHE A 26 -15.139 21.547 32.126 1.00 0.00 C ATOM 343 CD1 PHE A 26 -16.160 20.628 31.948 1.00 0.00 C ATOM 344 CD2 PHE A 26 -15.327 22.587 33.022 1.00 0.00 C ATOM 345 CE1 PHE A 26 -17.346 20.745 32.648 1.00 0.00 C ATOM 346 CE2 PHE A 26 -16.511 22.710 33.725 1.00 0.00 C ATOM 347 CZ PHE A 26 -17.521 21.787 33.539 1.00 0.00 C ATOM 0 H PHE A 26 -15.015 20.465 29.161 1.00 0.00 H new ATOM 0 HA PHE A 26 -14.071 23.119 30.068 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -13.599 20.362 31.267 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -13.050 21.886 31.935 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -16.028 19.811 31.254 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -14.539 23.310 33.173 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -18.135 20.023 32.499 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -16.646 23.527 34.419 1.00 0.00 H new ATOM 0 HZ PHE A 26 -18.446 21.879 34.089 1.00 0.00 H new ATOM 357 N TRP A 27 -12.557 22.101 27.952 1.00 0.00 N ATOM 358 CA TRP A 27 -11.350 21.935 27.151 1.00 0.00 C ATOM 359 C TRP A 27 -10.624 23.264 26.978 1.00 0.00 C ATOM 360 O TRP A 27 -11.208 24.331 27.171 1.00 0.00 O ATOM 361 CB TRP A 27 -11.698 21.348 25.782 1.00 0.00 C ATOM 362 CG TRP A 27 -11.827 19.855 25.792 1.00 0.00 C ATOM 363 CD1 TRP A 27 -11.793 19.036 26.884 1.00 0.00 C ATOM 364 CD2 TRP A 27 -12.008 19.003 24.655 1.00 0.00 C ATOM 365 NE1 TRP A 27 -11.942 17.726 26.495 1.00 0.00 N ATOM 366 CE2 TRP A 27 -12.076 17.680 25.133 1.00 0.00 C ATOM 367 CE3 TRP A 27 -12.120 19.229 23.281 1.00 0.00 C ATOM 368 CZ2 TRP A 27 -12.251 16.590 24.284 1.00 0.00 C ATOM 369 CZ3 TRP A 27 -12.294 18.147 22.439 1.00 0.00 C ATOM 370 CH2 TRP A 27 -12.359 16.841 22.943 1.00 0.00 C ATOM 0 H TRP A 27 -13.366 22.437 27.430 1.00 0.00 H new ATOM 0 HA TRP A 27 -10.688 21.247 27.676 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -12.635 21.784 25.435 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -10.928 21.634 25.065 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -11.667 19.369 27.904 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -11.951 16.919 27.119 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -12.071 20.232 22.884 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -12.300 15.583 24.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -12.381 18.311 21.375 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -12.497 16.016 22.260 1.00 0.00 H new ATOM 381 N SER A 28 -9.348 23.194 26.614 1.00 0.00 N ATOM 382 CA SER A 28 -8.541 24.393 26.419 1.00 0.00 C ATOM 383 C SER A 28 -8.256 24.621 24.937 1.00 0.00 C ATOM 384 O SER A 28 -8.494 23.745 24.105 1.00 0.00 O ATOM 385 CB SER A 28 -7.226 24.281 27.192 1.00 0.00 C ATOM 386 OG SER A 28 -7.168 25.233 28.241 1.00 0.00 O ATOM 0 H SER A 28 -8.850 22.319 26.448 1.00 0.00 H new ATOM 0 HA SER A 28 -9.105 25.245 26.798 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.126 23.276 27.603 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.387 24.432 26.513 1.00 0.00 H new ATOM 0 HG SER A 28 -6.319 25.140 28.721 1.00 0.00 H new ATOM 392 N LYS A 29 -7.743 25.803 24.615 1.00 0.00 N ATOM 393 CA LYS A 29 -7.423 26.148 23.235 1.00 0.00 C ATOM 394 C LYS A 29 -6.435 25.149 22.640 1.00 0.00 C ATOM 395 O LYS A 29 -6.391 24.952 21.425 1.00 0.00 O ATOM 396 CB LYS A 29 -6.840 27.561 23.163 1.00 0.00 C ATOM 397 CG LYS A 29 -7.883 28.657 23.306 1.00 0.00 C ATOM 398 CD LYS A 29 -7.396 29.775 24.212 1.00 0.00 C ATOM 399 CE LYS A 29 -8.555 30.489 24.889 1.00 0.00 C ATOM 400 NZ LYS A 29 -8.334 31.959 24.965 1.00 0.00 N ATOM 0 H LYS A 29 -7.540 26.539 25.291 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.345 26.111 22.654 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.093 27.677 23.948 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.324 27.684 22.211 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.123 29.062 22.323 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.803 28.235 23.710 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.727 29.366 24.969 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.817 30.491 23.629 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.475 30.288 24.340 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.690 30.090 25.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.147 32.408 25.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.470 32.152 25.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.231 32.345 24.005 1.00 0.00 H new ATOM 414 N THR A 30 -5.645 24.519 23.503 1.00 0.00 N ATOM 415 CA THR A 30 -4.659 23.541 23.063 1.00 0.00 C ATOM 416 C THR A 30 -5.282 22.156 22.925 1.00 0.00 C ATOM 417 O THR A 30 -5.039 21.452 21.946 1.00 0.00 O ATOM 418 CB THR A 30 -3.471 23.461 24.040 1.00 0.00 C ATOM 419 OG1 THR A 30 -3.077 24.778 24.441 1.00 0.00 O ATOM 420 CG2 THR A 30 -2.290 22.746 23.400 1.00 0.00 C ATOM 0 H THR A 30 -5.669 24.669 24.512 1.00 0.00 H new ATOM 0 HA THR A 30 -4.298 23.873 22.090 1.00 0.00 H new ATOM 0 HB THR A 30 -3.787 22.894 24.916 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.322 24.718 25.063 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.463 22.702 24.109 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.584 21.734 23.123 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.975 23.289 22.509 1.00 0.00 H new ATOM 428 N GLN A 31 -6.086 21.773 23.911 1.00 0.00 N ATOM 429 CA GLN A 31 -6.744 20.472 23.898 1.00 0.00 C ATOM 430 C GLN A 31 -7.515 20.265 22.599 1.00 0.00 C ATOM 431 O GLN A 31 -7.366 19.240 21.933 1.00 0.00 O ATOM 432 CB GLN A 31 -7.691 20.344 25.093 1.00 0.00 C ATOM 433 CG GLN A 31 -6.996 20.481 26.438 1.00 0.00 C ATOM 434 CD GLN A 31 -7.957 20.374 27.605 1.00 0.00 C ATOM 435 OE1 GLN A 31 -7.919 21.184 28.532 1.00 0.00 O ATOM 436 NE2 GLN A 31 -8.828 19.372 27.566 1.00 0.00 N ATOM 0 H GLN A 31 -6.298 22.345 24.729 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.975 19.703 23.969 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.466 21.106 25.015 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.190 19.376 25.048 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.233 19.708 26.529 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.483 21.442 26.481 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -8.825 18.724 26.779 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -9.500 19.251 28.323 1.00 0.00 H new ATOM 445 N VAL A 32 -8.340 21.244 22.243 1.00 0.00 N ATOM 446 CA VAL A 32 -9.134 21.170 21.022 1.00 0.00 C ATOM 447 C VAL A 32 -8.259 20.842 19.817 1.00 0.00 C ATOM 448 O VAL A 32 -8.420 19.796 19.186 1.00 0.00 O ATOM 449 CB VAL A 32 -9.881 22.490 20.757 1.00 0.00 C ATOM 450 CG1 VAL A 32 -10.677 22.403 19.464 1.00 0.00 C ATOM 451 CG2 VAL A 32 -10.787 22.835 21.929 1.00 0.00 C ATOM 0 H VAL A 32 -8.476 22.098 22.783 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.863 20.372 21.166 1.00 0.00 H new ATOM 0 HB VAL A 32 -9.146 23.288 20.650 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -11.198 23.345 19.293 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -10.000 22.207 18.632 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -11.404 21.594 19.538 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -11.307 23.771 21.724 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -11.517 22.038 22.071 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -10.187 22.944 22.833 1.00 0.00 H new ATOM 461 N LEU A 33 -7.333 21.741 19.503 1.00 0.00 N ATOM 462 CA LEU A 33 -6.432 21.548 18.373 1.00 0.00 C ATOM 463 C LEU A 33 -5.713 20.206 18.473 1.00 0.00 C ATOM 464 O LEU A 33 -5.516 19.520 17.470 1.00 0.00 O ATOM 465 CB LEU A 33 -5.409 22.683 18.311 1.00 0.00 C ATOM 466 CG LEU A 33 -5.977 24.088 18.105 1.00 0.00 C ATOM 467 CD1 LEU A 33 -4.930 25.141 18.434 1.00 0.00 C ATOM 468 CD2 LEU A 33 -6.476 24.257 16.677 1.00 0.00 C ATOM 0 H LEU A 33 -7.187 22.611 20.015 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.028 21.554 17.460 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.834 22.678 19.237 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.711 22.472 17.501 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.821 24.221 18.782 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.352 26.134 18.281 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.621 25.034 19.474 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.066 25.010 17.783 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.877 25.262 16.548 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.650 24.104 15.982 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.259 23.526 16.476 1.00 0.00 H new ATOM 480 N ASP A 34 -5.326 19.837 19.689 1.00 0.00 N ATOM 481 CA ASP A 34 -4.632 18.576 19.921 1.00 0.00 C ATOM 482 C ASP A 34 -5.539 17.390 19.602 1.00 0.00 C ATOM 483 O ASP A 34 -5.069 16.334 19.180 1.00 0.00 O ATOM 484 CB ASP A 34 -4.153 18.492 21.371 1.00 0.00 C ATOM 485 CG ASP A 34 -2.812 19.168 21.577 1.00 0.00 C ATOM 486 OD1 ASP A 34 -2.264 19.711 20.594 1.00 0.00 O ATOM 487 OD2 ASP A 34 -2.309 19.154 22.720 1.00 0.00 O ATOM 0 H ASP A 34 -5.481 20.394 20.530 1.00 0.00 H new ATOM 0 HA ASP A 34 -3.767 18.538 19.258 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.894 18.955 22.023 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.078 17.445 21.666 1.00 0.00 H new ATOM 492 N TRP A 35 -6.838 17.574 19.809 1.00 0.00 N ATOM 493 CA TRP A 35 -7.810 16.519 19.545 1.00 0.00 C ATOM 494 C TRP A 35 -8.025 16.340 18.046 1.00 0.00 C ATOM 495 O TRP A 35 -8.270 15.229 17.574 1.00 0.00 O ATOM 496 CB TRP A 35 -9.139 16.839 20.230 1.00 0.00 C ATOM 497 CG TRP A 35 -10.243 15.898 19.853 1.00 0.00 C ATOM 498 CD1 TRP A 35 -10.411 14.615 20.288 1.00 0.00 C ATOM 499 CD2 TRP A 35 -11.332 16.167 18.962 1.00 0.00 C ATOM 500 NE1 TRP A 35 -11.538 14.069 19.721 1.00 0.00 N ATOM 501 CE2 TRP A 35 -12.121 15.002 18.905 1.00 0.00 C ATOM 502 CE3 TRP A 35 -11.718 17.280 18.209 1.00 0.00 C ATOM 503 CZ2 TRP A 35 -13.271 14.919 18.124 1.00 0.00 C ATOM 504 CZ3 TRP A 35 -12.859 17.196 17.434 1.00 0.00 C ATOM 505 CH2 TRP A 35 -13.625 16.023 17.397 1.00 0.00 C ATOM 0 H TRP A 35 -7.242 18.443 20.158 1.00 0.00 H new ATOM 0 HA TRP A 35 -7.417 15.587 19.950 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -8.999 16.809 21.311 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -9.435 17.856 19.975 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -9.755 14.104 20.977 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -11.884 13.123 19.882 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -11.135 18.189 18.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -13.862 14.016 18.093 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -13.166 18.049 16.847 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -14.512 15.990 16.782 1.00 0.00 H new ATOM 516 N ILE A 36 -7.933 17.438 17.304 1.00 0.00 N ATOM 517 CA ILE A 36 -8.117 17.401 15.859 1.00 0.00 C ATOM 518 C ILE A 36 -7.089 16.489 15.197 1.00 0.00 C ATOM 519 O ILE A 36 -7.441 15.591 14.433 1.00 0.00 O ATOM 520 CB ILE A 36 -8.011 18.808 15.241 1.00 0.00 C ATOM 521 CG1 ILE A 36 -9.051 19.741 15.863 1.00 0.00 C ATOM 522 CG2 ILE A 36 -8.188 18.738 13.732 1.00 0.00 C ATOM 523 CD1 ILE A 36 -9.001 21.151 15.318 1.00 0.00 C ATOM 0 H ILE A 36 -7.732 18.365 17.680 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.118 17.008 15.679 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.019 19.208 15.452 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.045 19.329 15.692 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.900 19.772 16.942 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -8.111 19.740 13.310 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.413 18.103 13.304 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.168 18.321 13.500 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.766 21.756 15.804 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.019 21.582 15.513 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.182 21.132 14.243 1.00 0.00 H new ATOM 535 N SER A 37 -5.816 16.724 15.499 1.00 0.00 N ATOM 536 CA SER A 37 -4.736 15.925 14.932 1.00 0.00 C ATOM 537 C SER A 37 -5.001 14.436 15.129 1.00 0.00 C ATOM 538 O SER A 37 -4.680 13.618 14.266 1.00 0.00 O ATOM 539 CB SER A 37 -3.400 16.306 15.574 1.00 0.00 C ATOM 540 OG SER A 37 -2.383 15.385 15.220 1.00 0.00 O ATOM 0 H SER A 37 -5.507 17.461 16.133 1.00 0.00 H new ATOM 0 HA SER A 37 -4.689 16.130 13.862 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.113 17.309 15.257 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.509 16.334 16.658 1.00 0.00 H new ATOM 0 HG SER A 37 -1.539 15.651 15.641 1.00 0.00 H new ATOM 546 N TYR A 38 -5.589 14.092 16.269 1.00 0.00 N ATOM 547 CA TYR A 38 -5.895 12.701 16.582 1.00 0.00 C ATOM 548 C TYR A 38 -6.872 12.117 15.566 1.00 0.00 C ATOM 549 O TYR A 38 -6.672 11.013 15.060 1.00 0.00 O ATOM 550 CB TYR A 38 -6.480 12.590 17.991 1.00 0.00 C ATOM 551 CG TYR A 38 -7.602 11.583 18.103 1.00 0.00 C ATOM 552 CD1 TYR A 38 -7.356 10.222 17.969 1.00 0.00 C ATOM 553 CD2 TYR A 38 -8.908 11.991 18.341 1.00 0.00 C ATOM 554 CE1 TYR A 38 -8.378 9.297 18.070 1.00 0.00 C ATOM 555 CE2 TYR A 38 -9.936 11.074 18.446 1.00 0.00 C ATOM 556 CZ TYR A 38 -9.666 9.729 18.309 1.00 0.00 C ATOM 557 OH TYR A 38 -10.687 8.812 18.410 1.00 0.00 O ATOM 0 H TYR A 38 -5.863 14.757 16.992 1.00 0.00 H new ATOM 0 HA TYR A 38 -4.967 12.132 16.536 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.685 12.315 18.685 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -6.849 13.568 18.300 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -6.348 9.881 17.783 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -9.124 13.044 18.446 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -8.169 8.243 17.962 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -10.945 11.409 18.634 1.00 0.00 H new ATOM 0 HH TYR A 38 -10.335 7.968 18.762 1.00 0.00 H new ATOM 567 N GLN A 39 -7.930 12.868 15.272 1.00 0.00 N ATOM 568 CA GLN A 39 -8.938 12.425 14.317 1.00 0.00 C ATOM 569 C GLN A 39 -8.436 12.578 12.885 1.00 0.00 C ATOM 570 O GLN A 39 -8.915 11.905 11.973 1.00 0.00 O ATOM 571 CB GLN A 39 -10.232 13.221 14.504 1.00 0.00 C ATOM 572 CG GLN A 39 -11.240 12.538 15.414 1.00 0.00 C ATOM 573 CD GLN A 39 -12.393 11.920 14.648 1.00 0.00 C ATOM 574 OE1 GLN A 39 -13.125 12.612 13.941 1.00 0.00 O ATOM 575 NE2 GLN A 39 -12.560 10.609 14.784 1.00 0.00 N ATOM 0 H GLN A 39 -8.110 13.785 15.681 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.138 11.370 14.501 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.990 14.201 14.915 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -10.690 13.388 13.529 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -10.736 11.763 15.992 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -11.630 13.264 16.127 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.929 10.074 15.381 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -13.319 10.138 14.292 1.00 0.00 H new ATOM 584 N VAL A 40 -7.467 13.468 12.695 1.00 0.00 N ATOM 585 CA VAL A 40 -6.899 13.709 11.374 1.00 0.00 C ATOM 586 C VAL A 40 -5.881 12.634 11.009 1.00 0.00 C ATOM 587 O VAL A 40 -5.671 12.338 9.833 1.00 0.00 O ATOM 588 CB VAL A 40 -6.220 15.089 11.298 1.00 0.00 C ATOM 589 CG1 VAL A 40 -5.589 15.300 9.930 1.00 0.00 C ATOM 590 CG2 VAL A 40 -7.221 16.192 11.608 1.00 0.00 C ATOM 0 H VAL A 40 -7.059 14.034 13.439 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.726 13.679 10.664 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.428 15.127 12.046 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.114 16.281 9.896 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.841 14.528 9.752 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.360 15.243 9.161 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.725 17.161 11.550 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.036 16.158 10.885 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -7.621 16.049 12.612 1.00 0.00 H new ATOM 600 N GLU A 41 -5.253 12.052 12.026 1.00 0.00 N ATOM 601 CA GLU A 41 -4.256 11.009 11.811 1.00 0.00 C ATOM 602 C GLU A 41 -4.908 9.630 11.791 1.00 0.00 C ATOM 603 O GLU A 41 -4.388 8.693 11.185 1.00 0.00 O ATOM 604 CB GLU A 41 -3.185 11.064 12.903 1.00 0.00 C ATOM 605 CG GLU A 41 -2.070 10.050 12.712 1.00 0.00 C ATOM 606 CD GLU A 41 -1.474 10.094 11.318 1.00 0.00 C ATOM 607 OE1 GLU A 41 -0.648 10.994 11.055 1.00 0.00 O ATOM 608 OE2 GLU A 41 -1.832 9.230 10.492 1.00 0.00 O ATOM 0 H GLU A 41 -5.416 12.284 13.006 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.787 11.184 10.843 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.754 12.065 12.928 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.656 10.896 13.871 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.285 10.236 13.445 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.457 9.050 12.906 1.00 0.00 H new ATOM 615 N LYS A 42 -6.050 9.512 12.460 1.00 0.00 N ATOM 616 CA LYS A 42 -6.775 8.248 12.520 1.00 0.00 C ATOM 617 C LYS A 42 -7.415 7.924 11.174 1.00 0.00 C ATOM 618 O LYS A 42 -7.251 6.824 10.648 1.00 0.00 O ATOM 619 CB LYS A 42 -7.851 8.305 13.607 1.00 0.00 C ATOM 620 CG LYS A 42 -7.618 7.327 14.745 1.00 0.00 C ATOM 621 CD LYS A 42 -6.435 7.741 15.604 1.00 0.00 C ATOM 622 CE LYS A 42 -5.275 6.767 15.462 1.00 0.00 C ATOM 623 NZ LYS A 42 -4.260 7.252 14.487 1.00 0.00 N ATOM 0 H LYS A 42 -6.494 10.277 12.969 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.062 7.460 12.763 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.894 9.316 14.011 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.822 8.100 13.156 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.514 7.267 15.363 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.443 6.331 14.339 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.109 8.741 15.318 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.743 7.792 16.648 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.804 6.619 16.434 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.653 5.797 15.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.166 6.564 13.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.560 8.170 14.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.343 7.361 14.966 1.00 0.00 H new ATOM 637 N ASN A 43 -8.142 8.889 10.621 1.00 0.00 N ATOM 638 CA ASN A 43 -8.805 8.705 9.335 1.00 0.00 C ATOM 639 C ASN A 43 -7.826 8.911 8.184 1.00 0.00 C ATOM 640 O ASN A 43 -8.187 8.776 7.014 1.00 0.00 O ATOM 641 CB ASN A 43 -9.980 9.676 9.200 1.00 0.00 C ATOM 642 CG ASN A 43 -11.212 9.200 9.946 1.00 0.00 C ATOM 643 OD1 ASN A 43 -12.003 8.415 9.423 1.00 0.00 O ATOM 644 ND2 ASN A 43 -11.379 9.675 11.175 1.00 0.00 N ATOM 0 H ASN A 43 -8.287 9.806 11.043 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.180 7.683 9.291 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -9.685 10.654 9.579 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.224 9.803 8.145 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -12.189 9.391 11.726 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.697 10.324 11.568 1.00 0.00 H new ATOM 651 N LYS A 44 -6.584 9.239 8.522 1.00 0.00 N ATOM 652 CA LYS A 44 -5.550 9.462 7.519 1.00 0.00 C ATOM 653 C LYS A 44 -5.899 10.654 6.633 1.00 0.00 C ATOM 654 O LYS A 44 -5.392 10.782 5.519 1.00 0.00 O ATOM 655 CB LYS A 44 -5.367 8.210 6.658 1.00 0.00 C ATOM 656 CG LYS A 44 -4.050 7.493 6.900 1.00 0.00 C ATOM 657 CD LYS A 44 -4.199 5.989 6.746 1.00 0.00 C ATOM 658 CE LYS A 44 -3.345 5.459 5.603 1.00 0.00 C ATOM 659 NZ LYS A 44 -1.927 5.266 6.014 1.00 0.00 N ATOM 0 H LYS A 44 -6.269 9.356 9.485 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.616 9.678 8.038 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.188 7.521 6.855 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.431 8.490 5.606 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.301 7.859 6.198 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.688 7.723 7.902 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.912 5.497 7.675 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.245 5.742 6.565 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.754 4.511 5.253 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.389 6.154 4.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.378 4.904 5.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.529 6.175 6.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.882 4.584 6.797 1.00 0.00 H new ATOM 673 N TYR A 45 -6.768 11.525 7.137 1.00 0.00 N ATOM 674 CA TYR A 45 -7.185 12.706 6.391 1.00 0.00 C ATOM 675 C TYR A 45 -5.976 13.494 5.896 1.00 0.00 C ATOM 676 O TYR A 45 -4.997 13.670 6.621 1.00 0.00 O ATOM 677 CB TYR A 45 -8.069 13.600 7.263 1.00 0.00 C ATOM 678 CG TYR A 45 -8.734 14.723 6.501 1.00 0.00 C ATOM 679 CD1 TYR A 45 -9.463 14.468 5.346 1.00 0.00 C ATOM 680 CD2 TYR A 45 -8.633 16.039 6.934 1.00 0.00 C ATOM 681 CE1 TYR A 45 -10.072 15.491 4.645 1.00 0.00 C ATOM 682 CE2 TYR A 45 -9.240 17.068 6.241 1.00 0.00 C ATOM 683 CZ TYR A 45 -9.958 16.789 5.097 1.00 0.00 C ATOM 684 OH TYR A 45 -10.563 17.812 4.402 1.00 0.00 O ATOM 0 H TYR A 45 -7.196 11.435 8.058 1.00 0.00 H new ATOM 0 HA TYR A 45 -7.758 12.374 5.525 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -8.837 12.987 7.735 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.464 14.024 8.064 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -9.555 13.453 4.990 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -8.070 16.261 7.828 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.634 15.276 3.748 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -9.153 18.085 6.593 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.601 17.583 3.450 1.00 0.00 H new ATOM 694 N ASP A 46 -6.053 13.965 4.657 1.00 0.00 N ATOM 695 CA ASP A 46 -4.967 14.736 4.063 1.00 0.00 C ATOM 696 C ASP A 46 -4.560 15.891 4.973 1.00 0.00 C ATOM 697 O ASP A 46 -3.396 16.289 5.005 1.00 0.00 O ATOM 698 CB ASP A 46 -5.383 15.273 2.693 1.00 0.00 C ATOM 699 CG ASP A 46 -4.393 14.908 1.604 1.00 0.00 C ATOM 700 OD1 ASP A 46 -4.338 13.718 1.226 1.00 0.00 O ATOM 701 OD2 ASP A 46 -3.675 15.811 1.128 1.00 0.00 O ATOM 0 H ASP A 46 -6.856 13.827 4.044 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.110 14.074 3.940 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -6.366 14.878 2.434 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.479 16.358 2.745 1.00 0.00 H new ATOM 706 N ALA A 47 -5.528 16.426 5.711 1.00 0.00 N ATOM 707 CA ALA A 47 -5.270 17.534 6.622 1.00 0.00 C ATOM 708 C ALA A 47 -4.793 18.768 5.865 1.00 0.00 C ATOM 709 O ALA A 47 -4.108 19.625 6.423 1.00 0.00 O ATOM 710 CB ALA A 47 -4.246 17.127 7.672 1.00 0.00 C ATOM 0 H ALA A 47 -6.498 16.110 5.695 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.205 17.786 7.122 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.063 17.964 8.346 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.626 16.279 8.242 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.314 16.846 7.182 1.00 0.00 H new ATOM 716 N SER A 48 -5.158 18.852 4.589 1.00 0.00 N ATOM 717 CA SER A 48 -4.763 19.979 3.753 1.00 0.00 C ATOM 718 C SER A 48 -5.943 20.915 3.511 1.00 0.00 C ATOM 719 O SER A 48 -5.993 21.620 2.503 1.00 0.00 O ATOM 720 CB SER A 48 -4.209 19.482 2.417 1.00 0.00 C ATOM 721 OG SER A 48 -5.249 19.288 1.474 1.00 0.00 O ATOM 0 H SER A 48 -5.727 18.152 4.112 1.00 0.00 H new ATOM 0 HA SER A 48 -3.984 20.532 4.277 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.490 20.203 2.027 1.00 0.00 H new ATOM 0 HB3 SER A 48 -3.672 18.546 2.568 1.00 0.00 H new ATOM 0 HG SER A 48 -5.625 20.156 1.219 1.00 0.00 H new ATOM 727 N ALA A 49 -6.891 20.916 4.443 1.00 0.00 N ATOM 728 CA ALA A 49 -8.070 21.766 4.332 1.00 0.00 C ATOM 729 C ALA A 49 -8.264 22.601 5.593 1.00 0.00 C ATOM 730 O ALA A 49 -8.657 23.766 5.523 1.00 0.00 O ATOM 731 CB ALA A 49 -9.306 20.921 4.060 1.00 0.00 C ATOM 0 H ALA A 49 -6.865 20.338 5.283 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.919 22.448 3.495 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -10.179 21.569 3.979 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -9.174 20.373 3.127 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.452 20.216 4.878 1.00 0.00 H new ATOM 737 N ILE A 50 -7.988 21.998 6.745 1.00 0.00 N ATOM 738 CA ILE A 50 -8.133 22.687 8.021 1.00 0.00 C ATOM 739 C ILE A 50 -7.310 23.970 8.050 1.00 0.00 C ATOM 740 O ILE A 50 -6.095 23.945 7.852 1.00 0.00 O ATOM 741 CB ILE A 50 -7.705 21.790 9.197 1.00 0.00 C ATOM 742 CG1 ILE A 50 -8.519 20.495 9.202 1.00 0.00 C ATOM 743 CG2 ILE A 50 -7.870 22.530 10.516 1.00 0.00 C ATOM 744 CD1 ILE A 50 -7.996 19.455 10.168 1.00 0.00 C ATOM 0 H ILE A 50 -7.663 21.034 6.820 1.00 0.00 H new ATOM 0 HA ILE A 50 -9.189 22.933 8.128 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.652 21.535 9.075 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -9.553 20.727 9.456 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.524 20.075 8.196 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.563 21.882 11.337 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.250 23.427 10.510 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.915 22.812 10.647 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -8.622 18.564 10.118 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.972 19.194 9.902 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.017 19.856 11.181 1.00 0.00 H new ATOM 756 N ASP A 51 -7.979 25.091 8.298 1.00 0.00 N ATOM 757 CA ASP A 51 -7.309 26.385 8.356 1.00 0.00 C ATOM 758 C ASP A 51 -6.457 26.500 9.616 1.00 0.00 C ATOM 759 O ASP A 51 -5.428 27.176 9.623 1.00 0.00 O ATOM 760 CB ASP A 51 -8.336 27.517 8.314 1.00 0.00 C ATOM 761 CG ASP A 51 -7.922 28.640 7.384 1.00 0.00 C ATOM 762 OD1 ASP A 51 -8.143 28.509 6.162 1.00 0.00 O ATOM 763 OD2 ASP A 51 -7.377 29.649 7.877 1.00 0.00 O ATOM 0 H ASP A 51 -8.985 25.129 8.462 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.654 26.467 7.488 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -9.298 27.119 7.992 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.476 27.915 9.319 1.00 0.00 H new ATOM 768 N PHE A 52 -6.893 25.836 10.682 1.00 0.00 N ATOM 769 CA PHE A 52 -6.172 25.866 11.949 1.00 0.00 C ATOM 770 C PHE A 52 -5.971 27.301 12.427 1.00 0.00 C ATOM 771 O PHE A 52 -5.031 27.595 13.165 1.00 0.00 O ATOM 772 CB PHE A 52 -4.818 25.170 11.806 1.00 0.00 C ATOM 773 CG PHE A 52 -4.913 23.671 11.791 1.00 0.00 C ATOM 774 CD1 PHE A 52 -5.462 22.988 12.864 1.00 0.00 C ATOM 775 CD2 PHE A 52 -4.453 22.945 10.704 1.00 0.00 C ATOM 776 CE1 PHE A 52 -5.551 21.608 12.853 1.00 0.00 C ATOM 777 CE2 PHE A 52 -4.540 21.566 10.688 1.00 0.00 C ATOM 778 CZ PHE A 52 -5.089 20.897 11.764 1.00 0.00 C ATOM 0 H PHE A 52 -7.742 25.271 10.693 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.769 25.335 12.691 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.342 25.505 10.885 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.172 25.477 12.629 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.825 23.540 13.719 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.022 23.463 9.860 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.982 21.087 13.696 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.179 21.012 9.834 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.157 19.819 11.753 1.00 0.00 H new ATOM 788 N SER A 53 -6.861 28.191 11.999 1.00 0.00 N ATOM 789 CA SER A 53 -6.780 29.597 12.379 1.00 0.00 C ATOM 790 C SER A 53 -8.104 30.080 12.962 1.00 0.00 C ATOM 791 O SER A 53 -8.129 30.856 13.917 1.00 0.00 O ATOM 792 CB SER A 53 -6.399 30.453 11.169 1.00 0.00 C ATOM 793 OG SER A 53 -4.997 30.646 11.102 1.00 0.00 O ATOM 0 H SER A 53 -7.646 27.964 11.389 1.00 0.00 H new ATOM 0 HA SER A 53 -6.009 29.697 13.143 1.00 0.00 H new ATOM 0 HB2 SER A 53 -6.747 29.972 10.255 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.900 31.419 11.231 1.00 0.00 H new ATOM 0 HG SER A 53 -4.779 31.194 10.320 1.00 0.00 H new ATOM 799 N ARG A 54 -9.204 29.614 12.379 1.00 0.00 N ATOM 800 CA ARG A 54 -10.533 29.999 12.839 1.00 0.00 C ATOM 801 C ARG A 54 -10.907 29.246 14.112 1.00 0.00 C ATOM 802 O ARG A 54 -11.725 29.715 14.905 1.00 0.00 O ATOM 803 CB ARG A 54 -11.572 29.726 11.749 1.00 0.00 C ATOM 804 CG ARG A 54 -11.402 30.596 10.514 1.00 0.00 C ATOM 805 CD ARG A 54 -12.742 30.926 9.876 1.00 0.00 C ATOM 806 NE ARG A 54 -12.866 32.348 9.568 1.00 0.00 N ATOM 807 CZ ARG A 54 -12.271 32.930 8.532 1.00 0.00 C ATOM 808 NH1 ARG A 54 -11.515 32.214 7.710 1.00 0.00 N ATOM 809 NH2 ARG A 54 -12.431 34.229 8.317 1.00 0.00 N ATOM 0 H ARG A 54 -9.201 28.970 11.588 1.00 0.00 H new ATOM 0 HA ARG A 54 -10.519 31.066 13.059 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.512 28.678 11.456 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -12.569 29.885 12.161 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -10.890 31.519 10.786 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.770 30.082 9.790 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.861 30.345 8.961 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.547 30.629 10.549 1.00 0.00 H new ATOM 0 HE ARG A 54 -13.441 32.926 10.181 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -11.390 31.215 7.873 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -11.059 32.663 6.915 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -13.011 34.783 8.947 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -11.974 34.674 7.521 1.00 0.00 H new ATOM 823 N CYS A 55 -10.304 28.078 14.301 1.00 0.00 N ATOM 824 CA CYS A 55 -10.574 27.259 15.478 1.00 0.00 C ATOM 825 C CYS A 55 -9.930 27.864 16.721 1.00 0.00 C ATOM 826 O CYS A 55 -8.888 27.398 17.182 1.00 0.00 O ATOM 827 CB CYS A 55 -10.059 25.835 15.264 1.00 0.00 C ATOM 828 SG CYS A 55 -10.363 24.723 16.656 1.00 0.00 S ATOM 0 H CYS A 55 -9.625 27.676 13.655 1.00 0.00 H new ATOM 0 HA CYS A 55 -11.653 27.228 15.628 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -10.529 25.420 14.372 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -8.987 25.873 15.071 1.00 0.00 H new ATOM 0 HG CYS A 55 -11.524 24.988 17.177 1.00 0.00 H new ATOM 834 N ASP A 56 -10.555 28.906 17.258 1.00 0.00 N ATOM 835 CA ASP A 56 -10.042 29.576 18.447 1.00 0.00 C ATOM 836 C ASP A 56 -10.855 29.192 19.680 1.00 0.00 C ATOM 837 O ASP A 56 -10.686 29.773 20.752 1.00 0.00 O ATOM 838 CB ASP A 56 -10.069 31.093 18.255 1.00 0.00 C ATOM 839 CG ASP A 56 -8.679 31.686 18.133 1.00 0.00 C ATOM 840 OD1 ASP A 56 -7.883 31.531 19.082 1.00 0.00 O ATOM 841 OD2 ASP A 56 -8.388 32.307 17.089 1.00 0.00 O ATOM 0 H ASP A 56 -11.418 29.305 16.889 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.011 29.255 18.599 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.643 31.333 17.360 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.585 31.554 19.097 1.00 0.00 H new ATOM 846 N MET A 57 -11.737 28.212 19.519 1.00 0.00 N ATOM 847 CA MET A 57 -12.576 27.751 20.619 1.00 0.00 C ATOM 848 C MET A 57 -11.760 26.942 21.623 1.00 0.00 C ATOM 849 O MET A 57 -11.098 25.970 21.258 1.00 0.00 O ATOM 850 CB MET A 57 -13.734 26.905 20.086 1.00 0.00 C ATOM 851 CG MET A 57 -13.291 25.777 19.169 1.00 0.00 C ATOM 852 SD MET A 57 -13.640 26.115 17.433 1.00 0.00 S ATOM 853 CE MET A 57 -14.699 24.730 17.024 1.00 0.00 C ATOM 0 H MET A 57 -11.890 27.722 18.638 1.00 0.00 H new ATOM 0 HA MET A 57 -12.979 28.627 21.127 1.00 0.00 H new ATOM 0 HB2 MET A 57 -14.283 26.483 20.928 1.00 0.00 H new ATOM 0 HB3 MET A 57 -14.426 27.551 19.546 1.00 0.00 H new ATOM 0 HG2 MET A 57 -12.221 25.611 19.295 1.00 0.00 H new ATOM 0 HG3 MET A 57 -13.793 24.856 19.464 1.00 0.00 H new ATOM 0 HE1 MET A 57 -15.237 24.944 16.100 1.00 0.00 H new ATOM 0 HE2 MET A 57 -14.092 23.834 16.892 1.00 0.00 H new ATOM 0 HE3 MET A 57 -15.414 24.568 17.831 1.00 0.00 H new ATOM 863 N ASP A 58 -11.813 27.349 22.886 1.00 0.00 N ATOM 864 CA ASP A 58 -11.079 26.661 23.942 1.00 0.00 C ATOM 865 C ASP A 58 -11.723 25.316 24.265 1.00 0.00 C ATOM 866 O ASP A 58 -11.036 24.306 24.411 1.00 0.00 O ATOM 867 CB ASP A 58 -11.022 27.528 25.201 1.00 0.00 C ATOM 868 CG ASP A 58 -12.399 27.837 25.754 1.00 0.00 C ATOM 869 OD1 ASP A 58 -13.107 28.671 25.151 1.00 0.00 O ATOM 870 OD2 ASP A 58 -12.769 27.245 26.789 1.00 0.00 O ATOM 0 H ASP A 58 -12.356 28.152 23.204 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.064 26.482 23.587 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.434 27.018 25.964 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.507 28.461 24.973 1.00 0.00 H new ATOM 875 N GLY A 59 -13.049 25.312 24.375 1.00 0.00 N ATOM 876 CA GLY A 59 -13.764 24.087 24.681 1.00 0.00 C ATOM 877 C GLY A 59 -15.264 24.292 24.746 1.00 0.00 C ATOM 878 O GLY A 59 -16.014 23.683 23.983 1.00 0.00 O ATOM 0 H GLY A 59 -13.640 26.135 24.258 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -13.535 23.338 23.923 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -13.413 23.693 25.635 1.00 0.00 H new ATOM 882 N ALA A 60 -15.703 25.150 25.660 1.00 0.00 N ATOM 883 CA ALA A 60 -17.124 25.434 25.821 1.00 0.00 C ATOM 884 C ALA A 60 -17.748 25.881 24.503 1.00 0.00 C ATOM 885 O ALA A 60 -18.923 25.622 24.240 1.00 0.00 O ATOM 886 CB ALA A 60 -17.332 26.494 26.892 1.00 0.00 C ATOM 0 H ALA A 60 -15.095 25.661 26.301 1.00 0.00 H new ATOM 0 HA ALA A 60 -17.620 24.515 26.134 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -18.397 26.696 27.002 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -16.931 26.137 27.840 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -16.817 27.410 26.602 1.00 0.00 H new ATOM 892 N THR A 61 -16.954 26.555 23.677 1.00 0.00 N ATOM 893 CA THR A 61 -17.429 27.039 22.387 1.00 0.00 C ATOM 894 C THR A 61 -17.485 25.912 21.362 1.00 0.00 C ATOM 895 O THR A 61 -18.258 25.966 20.406 1.00 0.00 O ATOM 896 CB THR A 61 -16.529 28.166 21.844 1.00 0.00 C ATOM 897 OG1 THR A 61 -16.533 29.275 22.751 1.00 0.00 O ATOM 898 CG2 THR A 61 -17.003 28.624 20.473 1.00 0.00 C ATOM 0 H THR A 61 -15.979 26.778 23.878 1.00 0.00 H new ATOM 0 HA THR A 61 -18.434 27.430 22.548 1.00 0.00 H new ATOM 0 HB THR A 61 -15.515 27.778 21.749 1.00 0.00 H new ATOM 0 HG1 THR A 61 -15.958 29.987 22.400 1.00 0.00 H new ATOM 0 HG21 THR A 61 -16.352 29.420 20.110 1.00 0.00 H new ATOM 0 HG22 THR A 61 -16.972 27.785 19.778 1.00 0.00 H new ATOM 0 HG23 THR A 61 -18.025 28.996 20.547 1.00 0.00 H new ATOM 906 N LEU A 62 -16.661 24.890 21.569 1.00 0.00 N ATOM 907 CA LEU A 62 -16.617 23.748 20.663 1.00 0.00 C ATOM 908 C LEU A 62 -17.886 22.909 20.782 1.00 0.00 C ATOM 909 O LEU A 62 -18.509 22.562 19.778 1.00 0.00 O ATOM 910 CB LEU A 62 -15.391 22.883 20.959 1.00 0.00 C ATOM 911 CG LEU A 62 -15.307 21.556 20.205 1.00 0.00 C ATOM 912 CD1 LEU A 62 -15.207 21.798 18.707 1.00 0.00 C ATOM 913 CD2 LEU A 62 -14.121 20.738 20.695 1.00 0.00 C ATOM 0 H LEU A 62 -16.015 24.829 22.356 1.00 0.00 H new ATOM 0 HA LEU A 62 -16.548 24.128 19.644 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -14.498 23.464 20.731 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -15.370 22.672 22.028 1.00 0.00 H new ATOM 0 HG LEU A 62 -16.218 20.991 20.401 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -15.148 20.842 18.187 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -16.088 22.342 18.367 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -14.313 22.384 18.492 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -14.077 19.797 20.147 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -13.200 21.297 20.530 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -14.235 20.533 21.759 1.00 0.00 H new ATOM 925 N CYS A 63 -18.263 22.589 22.015 1.00 0.00 N ATOM 926 CA CYS A 63 -19.459 21.793 22.265 1.00 0.00 C ATOM 927 C CYS A 63 -20.717 22.565 21.882 1.00 0.00 C ATOM 928 O CYS A 63 -21.755 21.973 21.590 1.00 0.00 O ATOM 929 CB CYS A 63 -19.525 21.384 23.738 1.00 0.00 C ATOM 930 SG CYS A 63 -19.899 22.747 24.866 1.00 0.00 S ATOM 0 H CYS A 63 -17.758 22.868 22.856 1.00 0.00 H new ATOM 0 HA CYS A 63 -19.404 20.896 21.648 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -20.284 20.610 23.856 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -18.571 20.941 24.024 1.00 0.00 H new ATOM 0 HG CYS A 63 -19.390 23.848 24.400 1.00 0.00 H new ATOM 936 N ASN A 64 -20.617 23.890 21.888 1.00 0.00 N ATOM 937 CA ASN A 64 -21.748 24.744 21.543 1.00 0.00 C ATOM 938 C ASN A 64 -21.815 24.976 20.036 1.00 0.00 C ATOM 939 O ASN A 64 -22.885 25.237 19.485 1.00 0.00 O ATOM 940 CB ASN A 64 -21.642 26.085 22.273 1.00 0.00 C ATOM 941 CG ASN A 64 -22.484 26.124 23.533 1.00 0.00 C ATOM 942 OD1 ASN A 64 -23.714 26.126 23.472 1.00 0.00 O ATOM 943 ND2 ASN A 64 -21.824 26.157 24.685 1.00 0.00 N ATOM 0 H ASN A 64 -19.764 24.396 22.128 1.00 0.00 H new ATOM 0 HA ASN A 64 -22.662 24.239 21.856 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -20.600 26.275 22.530 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -21.957 26.886 21.604 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -22.337 26.185 25.566 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -20.804 26.154 24.689 1.00 0.00 H new ATOM 950 N CYS A 65 -20.666 24.878 19.377 1.00 0.00 N ATOM 951 CA CYS A 65 -20.594 25.077 17.934 1.00 0.00 C ATOM 952 C CYS A 65 -21.617 24.206 17.213 1.00 0.00 C ATOM 953 O CYS A 65 -22.187 23.286 17.799 1.00 0.00 O ATOM 954 CB CYS A 65 -19.187 24.760 17.424 1.00 0.00 C ATOM 955 SG CYS A 65 -18.209 26.220 16.999 1.00 0.00 S ATOM 0 H CYS A 65 -19.772 24.662 19.818 1.00 0.00 H new ATOM 0 HA CYS A 65 -20.822 26.122 17.725 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -18.656 24.190 18.186 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -19.266 24.121 16.545 1.00 0.00 H new ATOM 0 HG CYS A 65 -17.945 26.895 18.078 1.00 0.00 H new ATOM 961 N ALA A 66 -21.847 24.504 15.938 1.00 0.00 N ATOM 962 CA ALA A 66 -22.802 23.749 15.137 1.00 0.00 C ATOM 963 C ALA A 66 -22.087 22.788 14.192 1.00 0.00 C ATOM 964 O ALA A 66 -20.904 22.958 13.896 1.00 0.00 O ATOM 965 CB ALA A 66 -23.697 24.695 14.351 1.00 0.00 C ATOM 0 H ALA A 66 -21.385 25.263 15.438 1.00 0.00 H new ATOM 0 HA ALA A 66 -23.420 23.160 15.814 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -24.405 24.117 13.757 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -24.242 25.338 15.042 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -23.086 25.309 13.690 1.00 0.00 H new ATOM 971 N LEU A 67 -22.812 21.779 13.723 1.00 0.00 N ATOM 972 CA LEU A 67 -22.247 20.789 12.812 1.00 0.00 C ATOM 973 C LEU A 67 -21.608 21.465 11.603 1.00 0.00 C ATOM 974 O LEU A 67 -20.411 21.318 11.359 1.00 0.00 O ATOM 975 CB LEU A 67 -23.331 19.813 12.351 1.00 0.00 C ATOM 976 CG LEU A 67 -22.998 18.975 11.117 1.00 0.00 C ATOM 977 CD1 LEU A 67 -21.672 18.253 11.303 1.00 0.00 C ATOM 978 CD2 LEU A 67 -24.113 17.980 10.831 1.00 0.00 C ATOM 0 H LEU A 67 -23.792 21.624 13.958 1.00 0.00 H new ATOM 0 HA LEU A 67 -21.475 20.237 13.348 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -23.557 19.136 13.175 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -24.239 20.380 12.146 1.00 0.00 H new ATOM 0 HG LEU A 67 -22.907 19.644 10.262 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -21.452 17.662 10.414 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -20.878 18.984 11.458 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -21.734 17.595 12.170 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -23.859 17.392 9.949 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -24.236 17.316 11.687 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -25.044 18.518 10.652 1.00 0.00 H new ATOM 990 N GLU A 68 -22.414 22.208 10.851 1.00 0.00 N ATOM 991 CA GLU A 68 -21.926 22.907 9.669 1.00 0.00 C ATOM 992 C GLU A 68 -20.696 23.746 10.002 1.00 0.00 C ATOM 993 O GLU A 68 -19.761 23.838 9.207 1.00 0.00 O ATOM 994 CB GLU A 68 -23.024 23.801 9.088 1.00 0.00 C ATOM 995 CG GLU A 68 -24.310 23.056 8.771 1.00 0.00 C ATOM 996 CD GLU A 68 -24.824 23.347 7.374 1.00 0.00 C ATOM 997 OE1 GLU A 68 -24.304 22.742 6.413 1.00 0.00 O ATOM 998 OE2 GLU A 68 -25.745 24.180 7.242 1.00 0.00 O ATOM 0 H GLU A 68 -23.408 22.341 11.040 1.00 0.00 H new ATOM 0 HA GLU A 68 -21.645 22.160 8.927 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -23.242 24.601 9.796 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -22.653 24.273 8.178 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -24.140 21.984 8.876 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -25.073 23.330 9.499 1.00 0.00 H new ATOM 1005 N GLU A 69 -20.705 24.357 11.183 1.00 0.00 N ATOM 1006 CA GLU A 69 -19.591 25.189 11.621 1.00 0.00 C ATOM 1007 C GLU A 69 -18.284 24.402 11.603 1.00 0.00 C ATOM 1008 O GLU A 69 -17.308 24.810 10.972 1.00 0.00 O ATOM 1009 CB GLU A 69 -19.853 25.733 13.027 1.00 0.00 C ATOM 1010 CG GLU A 69 -20.159 27.221 13.057 1.00 0.00 C ATOM 1011 CD GLU A 69 -19.703 27.884 14.342 1.00 0.00 C ATOM 1012 OE1 GLU A 69 -20.421 27.767 15.357 1.00 0.00 O ATOM 1013 OE2 GLU A 69 -18.629 28.521 14.332 1.00 0.00 O ATOM 0 H GLU A 69 -21.471 24.291 11.853 1.00 0.00 H new ATOM 0 HA GLU A 69 -19.501 26.025 10.927 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -20.689 25.190 13.468 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -18.981 25.537 13.651 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -19.673 27.705 12.210 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -21.232 27.370 12.936 1.00 0.00 H new ATOM 1020 N LEU A 70 -18.272 23.272 12.301 1.00 0.00 N ATOM 1021 CA LEU A 70 -17.085 22.426 12.367 1.00 0.00 C ATOM 1022 C LEU A 70 -16.644 21.997 10.972 1.00 0.00 C ATOM 1023 O LEU A 70 -15.470 21.704 10.744 1.00 0.00 O ATOM 1024 CB LEU A 70 -17.361 21.193 13.229 1.00 0.00 C ATOM 1025 CG LEU A 70 -17.973 21.459 14.605 1.00 0.00 C ATOM 1026 CD1 LEU A 70 -18.372 20.152 15.273 1.00 0.00 C ATOM 1027 CD2 LEU A 70 -16.998 22.232 15.482 1.00 0.00 C ATOM 0 H LEU A 70 -19.070 22.920 12.829 1.00 0.00 H new ATOM 0 HA LEU A 70 -16.281 23.006 12.820 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -18.030 20.532 12.678 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -16.424 20.655 13.368 1.00 0.00 H new ATOM 0 HG LEU A 70 -18.870 22.064 14.472 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -18.806 20.361 16.251 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -19.106 19.636 14.654 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -17.491 19.521 15.394 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -17.450 22.412 16.457 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -16.083 21.652 15.608 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -16.761 23.186 15.010 1.00 0.00 H new ATOM 1039 N ARG A 71 -17.592 21.964 10.041 1.00 0.00 N ATOM 1040 CA ARG A 71 -17.300 21.572 8.667 1.00 0.00 C ATOM 1041 C ARG A 71 -16.683 22.731 7.890 1.00 0.00 C ATOM 1042 O ARG A 71 -16.017 22.526 6.874 1.00 0.00 O ATOM 1043 CB ARG A 71 -18.576 21.097 7.968 1.00 0.00 C ATOM 1044 CG ARG A 71 -19.231 19.903 8.642 1.00 0.00 C ATOM 1045 CD ARG A 71 -20.672 19.728 8.188 1.00 0.00 C ATOM 1046 NE ARG A 71 -20.879 18.454 7.505 1.00 0.00 N ATOM 1047 CZ ARG A 71 -22.038 18.087 6.970 1.00 0.00 C ATOM 1048 NH1 ARG A 71 -23.088 18.894 7.037 1.00 0.00 N ATOM 1049 NH2 ARG A 71 -22.149 16.911 6.365 1.00 0.00 N ATOM 0 H ARG A 71 -18.568 22.204 10.213 1.00 0.00 H new ATOM 0 HA ARG A 71 -16.582 20.753 8.694 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -19.289 21.920 7.933 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -18.340 20.837 6.936 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -18.665 19.000 8.415 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -19.203 20.034 9.724 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -21.334 19.788 9.052 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -20.944 20.546 7.520 1.00 0.00 H new ATOM 0 HE ARG A 71 -20.090 17.811 7.435 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -23.007 19.799 7.500 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -23.977 18.610 6.625 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -21.344 16.288 6.310 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -23.040 16.631 5.955 1.00 0.00 H new ATOM 1063 N LEU A 72 -16.908 23.947 8.374 1.00 0.00 N ATOM 1064 CA LEU A 72 -16.375 25.140 7.725 1.00 0.00 C ATOM 1065 C LEU A 72 -15.025 25.527 8.322 1.00 0.00 C ATOM 1066 O LEU A 72 -14.272 26.300 7.730 1.00 0.00 O ATOM 1067 CB LEU A 72 -17.359 26.303 7.864 1.00 0.00 C ATOM 1068 CG LEU A 72 -18.244 26.581 6.648 1.00 0.00 C ATOM 1069 CD1 LEU A 72 -19.527 25.768 6.725 1.00 0.00 C ATOM 1070 CD2 LEU A 72 -18.557 28.067 6.546 1.00 0.00 C ATOM 0 H LEU A 72 -17.456 24.133 9.214 1.00 0.00 H new ATOM 0 HA LEU A 72 -16.234 24.916 6.668 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -18.004 26.107 8.721 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -16.793 27.207 8.091 1.00 0.00 H new ATOM 0 HG LEU A 72 -17.702 26.282 5.751 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -20.144 25.979 5.852 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -19.284 24.706 6.750 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -20.074 26.036 7.629 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -19.188 28.247 5.675 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -19.080 28.391 7.446 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -17.628 28.628 6.444 1.00 0.00 H new ATOM 1082 N VAL A 73 -14.725 24.982 9.496 1.00 0.00 N ATOM 1083 CA VAL A 73 -13.465 25.267 10.172 1.00 0.00 C ATOM 1084 C VAL A 73 -12.470 24.127 9.983 1.00 0.00 C ATOM 1085 O VAL A 73 -11.257 24.340 9.988 1.00 0.00 O ATOM 1086 CB VAL A 73 -13.676 25.504 11.679 1.00 0.00 C ATOM 1087 CG1 VAL A 73 -12.357 25.840 12.357 1.00 0.00 C ATOM 1088 CG2 VAL A 73 -14.698 26.608 11.906 1.00 0.00 C ATOM 0 H VAL A 73 -15.338 24.340 9.999 1.00 0.00 H new ATOM 0 HA VAL A 73 -13.064 26.175 9.722 1.00 0.00 H new ATOM 0 HB VAL A 73 -14.061 24.586 12.123 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -12.526 26.004 13.421 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.659 25.014 12.224 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.939 26.743 11.913 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -14.835 26.762 12.976 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -14.344 27.532 11.449 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -15.649 26.322 11.456 1.00 0.00 H new ATOM 1098 N PHE A 74 -12.990 22.916 9.815 1.00 0.00 N ATOM 1099 CA PHE A 74 -12.148 21.742 9.625 1.00 0.00 C ATOM 1100 C PHE A 74 -12.454 21.063 8.293 1.00 0.00 C ATOM 1101 O PHE A 74 -12.204 19.871 8.119 1.00 0.00 O ATOM 1102 CB PHE A 74 -12.349 20.751 10.773 1.00 0.00 C ATOM 1103 CG PHE A 74 -12.451 21.408 12.120 1.00 0.00 C ATOM 1104 CD1 PHE A 74 -11.417 22.196 12.601 1.00 0.00 C ATOM 1105 CD2 PHE A 74 -13.579 21.238 12.906 1.00 0.00 C ATOM 1106 CE1 PHE A 74 -11.508 22.801 13.840 1.00 0.00 C ATOM 1107 CE2 PHE A 74 -13.676 21.841 14.146 1.00 0.00 C ATOM 1108 CZ PHE A 74 -12.639 22.624 14.613 1.00 0.00 C ATOM 0 H PHE A 74 -13.991 22.722 9.807 1.00 0.00 H new ATOM 0 HA PHE A 74 -11.109 22.070 9.616 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -13.255 20.173 10.590 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -11.518 20.046 10.783 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -10.531 22.339 12.001 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -14.393 20.627 12.545 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -10.695 23.412 14.204 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -14.561 21.700 14.748 1.00 0.00 H new ATOM 0 HZ PHE A 74 -12.712 23.097 15.581 1.00 0.00 H new ATOM 1118 N GLY A 75 -13.000 21.831 7.355 1.00 0.00 N ATOM 1119 CA GLY A 75 -13.333 21.288 6.051 1.00 0.00 C ATOM 1120 C GLY A 75 -14.327 20.146 6.136 1.00 0.00 C ATOM 1121 O GLY A 75 -15.164 20.089 7.037 1.00 0.00 O ATOM 0 H GLY A 75 -13.218 22.820 7.475 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.746 22.080 5.426 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.423 20.938 5.563 1.00 0.00 H new ATOM 1125 N PRO A 76 -14.242 19.210 5.179 1.00 0.00 N ATOM 1126 CA PRO A 76 -15.133 18.048 5.126 1.00 0.00 C ATOM 1127 C PRO A 76 -14.863 17.058 6.254 1.00 0.00 C ATOM 1128 O PRO A 76 -15.602 16.090 6.435 1.00 0.00 O ATOM 1129 CB PRO A 76 -14.811 17.415 3.771 1.00 0.00 C ATOM 1130 CG PRO A 76 -13.416 17.844 3.474 1.00 0.00 C ATOM 1131 CD PRO A 76 -13.268 19.214 4.074 1.00 0.00 C ATOM 0 HA PRO A 76 -16.179 18.332 5.241 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -14.891 16.329 3.813 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -15.502 17.756 3.000 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -12.694 17.150 3.904 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -13.235 17.867 2.399 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -12.254 19.388 4.433 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -13.488 19.997 3.348 1.00 0.00 H new ATOM 1139 N LEU A 77 -13.800 17.307 7.011 1.00 0.00 N ATOM 1140 CA LEU A 77 -13.432 16.438 8.123 1.00 0.00 C ATOM 1141 C LEU A 77 -14.368 16.646 9.310 1.00 0.00 C ATOM 1142 O LEU A 77 -14.548 15.752 10.135 1.00 0.00 O ATOM 1143 CB LEU A 77 -11.986 16.703 8.547 1.00 0.00 C ATOM 1144 CG LEU A 77 -11.431 15.794 9.644 1.00 0.00 C ATOM 1145 CD1 LEU A 77 -11.637 14.332 9.280 1.00 0.00 C ATOM 1146 CD2 LEU A 77 -9.955 16.083 9.880 1.00 0.00 C ATOM 0 H LEU A 77 -13.178 18.104 6.875 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.523 15.404 7.789 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -11.348 16.610 7.668 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -11.912 17.736 8.887 1.00 0.00 H new ATOM 0 HG LEU A 77 -11.973 15.998 10.567 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.236 13.700 10.072 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.702 14.133 9.161 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -11.121 14.114 8.345 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -9.577 15.427 10.664 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.398 15.907 8.960 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.832 17.122 10.186 1.00 0.00 H new ATOM 1158 N GLY A 78 -14.963 17.833 9.387 1.00 0.00 N ATOM 1159 CA GLY A 78 -15.874 18.136 10.475 1.00 0.00 C ATOM 1160 C GLY A 78 -16.955 17.085 10.635 1.00 0.00 C ATOM 1161 O GLY A 78 -17.305 16.711 11.755 1.00 0.00 O ATOM 0 H GLY A 78 -14.830 18.589 8.716 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -15.311 18.218 11.405 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -16.338 19.106 10.297 1.00 0.00 H new ATOM 1165 N ASP A 79 -17.486 16.610 9.514 1.00 0.00 N ATOM 1166 CA ASP A 79 -18.535 15.596 9.535 1.00 0.00 C ATOM 1167 C ASP A 79 -18.121 14.404 10.393 1.00 0.00 C ATOM 1168 O ASP A 79 -18.964 13.735 10.989 1.00 0.00 O ATOM 1169 CB ASP A 79 -18.853 15.131 8.113 1.00 0.00 C ATOM 1170 CG ASP A 79 -20.116 14.296 8.046 1.00 0.00 C ATOM 1171 OD1 ASP A 79 -20.818 14.197 9.075 1.00 0.00 O ATOM 1172 OD2 ASP A 79 -20.404 13.743 6.965 1.00 0.00 O ATOM 0 H ASP A 79 -17.208 16.910 8.580 1.00 0.00 H new ATOM 0 HA ASP A 79 -19.429 16.042 9.971 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -18.961 16.001 7.465 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -18.015 14.549 7.728 1.00 0.00 H new ATOM 1177 N GLN A 80 -16.819 14.145 10.448 1.00 0.00 N ATOM 1178 CA GLN A 80 -16.294 13.032 11.231 1.00 0.00 C ATOM 1179 C GLN A 80 -16.002 13.465 12.664 1.00 0.00 C ATOM 1180 O GLN A 80 -16.116 12.671 13.599 1.00 0.00 O ATOM 1181 CB GLN A 80 -15.023 12.479 10.583 1.00 0.00 C ATOM 1182 CG GLN A 80 -15.277 11.745 9.276 1.00 0.00 C ATOM 1183 CD GLN A 80 -16.375 10.706 9.394 1.00 0.00 C ATOM 1184 OE1 GLN A 80 -16.351 9.859 10.287 1.00 0.00 O ATOM 1185 NE2 GLN A 80 -17.346 10.767 8.490 1.00 0.00 N ATOM 0 H GLN A 80 -16.108 14.690 9.960 1.00 0.00 H new ATOM 0 HA GLN A 80 -17.051 12.248 11.255 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -14.331 13.301 10.400 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -14.534 11.801 11.282 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -15.546 12.467 8.505 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -14.356 11.260 8.951 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -17.325 11.486 7.767 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -18.112 10.095 8.519 1.00 0.00 H new ATOM 1194 N LEU A 81 -15.623 14.727 12.830 1.00 0.00 N ATOM 1195 CA LEU A 81 -15.314 15.266 14.149 1.00 0.00 C ATOM 1196 C LEU A 81 -16.577 15.397 14.994 1.00 0.00 C ATOM 1197 O LEU A 81 -16.620 14.945 16.139 1.00 0.00 O ATOM 1198 CB LEU A 81 -14.631 16.629 14.018 1.00 0.00 C ATOM 1199 CG LEU A 81 -13.301 16.643 13.264 1.00 0.00 C ATOM 1200 CD1 LEU A 81 -12.734 18.053 13.209 1.00 0.00 C ATOM 1201 CD2 LEU A 81 -12.308 15.692 13.916 1.00 0.00 C ATOM 0 H LEU A 81 -15.522 15.396 12.067 1.00 0.00 H new ATOM 0 HA LEU A 81 -14.636 14.573 14.647 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -15.318 17.310 13.516 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -14.463 17.026 15.019 1.00 0.00 H new ATOM 0 HG LEU A 81 -13.480 16.305 12.243 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.787 18.044 12.669 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -13.438 18.709 12.696 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.570 18.419 14.223 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.367 15.715 13.366 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.133 15.999 14.947 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -12.711 14.679 13.903 1.00 0.00 H new ATOM 1213 N HIS A 82 -17.604 16.016 14.421 1.00 0.00 N ATOM 1214 CA HIS A 82 -18.870 16.203 15.121 1.00 0.00 C ATOM 1215 C HIS A 82 -19.382 14.880 15.682 1.00 0.00 C ATOM 1216 O HIS A 82 -19.844 14.815 16.821 1.00 0.00 O ATOM 1217 CB HIS A 82 -19.912 16.809 14.180 1.00 0.00 C ATOM 1218 CG HIS A 82 -21.183 17.203 14.867 1.00 0.00 C ATOM 1219 ND1 HIS A 82 -22.355 16.486 14.751 1.00 0.00 N ATOM 1220 CD2 HIS A 82 -21.461 18.246 15.684 1.00 0.00 C ATOM 1221 CE1 HIS A 82 -23.300 17.072 15.465 1.00 0.00 C ATOM 1222 NE2 HIS A 82 -22.783 18.142 16.042 1.00 0.00 N ATOM 0 H HIS A 82 -17.585 16.396 13.475 1.00 0.00 H new ATOM 0 HA HIS A 82 -18.700 16.887 15.952 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -19.484 17.686 13.694 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -20.142 16.090 13.394 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -20.772 19.016 15.996 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -24.321 16.734 15.561 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -23.284 18.786 16.654 1.00 0.00 H new ATOM 1230 N ALA A 83 -19.297 13.828 14.875 1.00 0.00 N ATOM 1231 CA ALA A 83 -19.750 12.507 15.291 1.00 0.00 C ATOM 1232 C ALA A 83 -19.136 12.113 16.631 1.00 0.00 C ATOM 1233 O ALA A 83 -19.831 11.626 17.522 1.00 0.00 O ATOM 1234 CB ALA A 83 -19.410 11.473 14.228 1.00 0.00 C ATOM 0 H ALA A 83 -18.918 13.865 13.929 1.00 0.00 H new ATOM 0 HA ALA A 83 -20.833 12.543 15.413 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -19.754 10.491 14.552 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -19.901 11.739 13.292 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -18.331 11.448 14.077 1.00 0.00 H new ATOM 1240 N GLN A 84 -17.831 12.327 16.764 1.00 0.00 N ATOM 1241 CA GLN A 84 -17.125 11.992 17.995 1.00 0.00 C ATOM 1242 C GLN A 84 -17.570 12.895 19.141 1.00 0.00 C ATOM 1243 O GLN A 84 -17.855 12.423 20.242 1.00 0.00 O ATOM 1244 CB GLN A 84 -15.614 12.116 17.790 1.00 0.00 C ATOM 1245 CG GLN A 84 -14.984 10.886 17.157 1.00 0.00 C ATOM 1246 CD GLN A 84 -14.488 9.888 18.185 1.00 0.00 C ATOM 1247 OE1 GLN A 84 -15.051 8.804 18.336 1.00 0.00 O ATOM 1248 NE2 GLN A 84 -13.429 10.251 18.900 1.00 0.00 N ATOM 0 H GLN A 84 -17.242 12.730 16.036 1.00 0.00 H new ATOM 0 HA GLN A 84 -17.367 10.961 18.254 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -15.411 12.983 17.161 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -15.139 12.303 18.753 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -15.714 10.401 16.509 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -14.151 11.194 16.524 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -12.994 11.160 18.741 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -13.051 9.621 19.608 1.00 0.00 H new ATOM 1257 N LEU A 85 -17.628 14.195 18.875 1.00 0.00 N ATOM 1258 CA LEU A 85 -18.038 15.165 19.884 1.00 0.00 C ATOM 1259 C LEU A 85 -19.439 14.853 20.402 1.00 0.00 C ATOM 1260 O LEU A 85 -19.755 15.115 21.562 1.00 0.00 O ATOM 1261 CB LEU A 85 -18.000 16.581 19.305 1.00 0.00 C ATOM 1262 CG LEU A 85 -16.670 17.324 19.435 1.00 0.00 C ATOM 1263 CD1 LEU A 85 -16.698 18.613 18.630 1.00 0.00 C ATOM 1264 CD2 LEU A 85 -16.362 17.612 20.897 1.00 0.00 C ATOM 0 H LEU A 85 -17.396 14.602 17.969 1.00 0.00 H new ATOM 0 HA LEU A 85 -17.339 15.101 20.718 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -18.261 16.527 18.248 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -18.773 17.173 19.795 1.00 0.00 H new ATOM 0 HG LEU A 85 -15.879 16.688 19.036 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -15.743 19.128 18.735 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -16.872 18.382 17.579 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -17.499 19.255 18.998 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -15.412 18.141 20.971 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -17.155 18.228 21.321 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -16.298 16.673 21.447 1.00 0.00 H new ATOM 1276 N ARG A 86 -20.273 14.290 19.534 1.00 0.00 N ATOM 1277 CA ARG A 86 -21.639 13.941 19.904 1.00 0.00 C ATOM 1278 C ARG A 86 -21.652 12.833 20.953 1.00 0.00 C ATOM 1279 O ARG A 86 -22.561 12.759 21.781 1.00 0.00 O ATOM 1280 CB ARG A 86 -22.427 13.498 18.669 1.00 0.00 C ATOM 1281 CG ARG A 86 -22.980 14.654 17.853 1.00 0.00 C ATOM 1282 CD ARG A 86 -24.088 14.195 16.917 1.00 0.00 C ATOM 1283 NE ARG A 86 -23.572 13.812 15.605 1.00 0.00 N ATOM 1284 CZ ARG A 86 -24.323 13.278 14.648 1.00 0.00 C ATOM 1285 NH1 ARG A 86 -25.615 13.066 14.855 1.00 0.00 N ATOM 1286 NH2 ARG A 86 -23.781 12.956 13.480 1.00 0.00 N ATOM 0 H ARG A 86 -20.027 14.066 18.570 1.00 0.00 H new ATOM 0 HA ARG A 86 -22.111 14.826 20.330 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -21.780 12.893 18.034 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -23.252 12.860 18.985 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -23.364 15.423 18.523 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -22.177 15.108 17.273 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -24.611 13.349 17.362 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -24.818 14.995 16.800 1.00 0.00 H new ATOM 0 HE ARG A 86 -22.582 13.963 15.413 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -26.035 13.313 15.751 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -26.189 12.656 14.118 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -22.787 13.118 13.317 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -24.358 12.546 12.746 1.00 0.00 H new ATOM 1300 N ASP A 87 -20.640 11.974 20.912 1.00 0.00 N ATOM 1301 CA ASP A 87 -20.534 10.870 21.859 1.00 0.00 C ATOM 1302 C ASP A 87 -19.944 11.345 23.183 1.00 0.00 C ATOM 1303 O ASP A 87 -20.333 10.874 24.253 1.00 0.00 O ATOM 1304 CB ASP A 87 -19.672 9.750 21.275 1.00 0.00 C ATOM 1305 CG ASP A 87 -20.493 8.549 20.849 1.00 0.00 C ATOM 1306 OD1 ASP A 87 -21.558 8.750 20.229 1.00 0.00 O ATOM 1307 OD2 ASP A 87 -20.072 7.409 21.137 1.00 0.00 O ATOM 0 H ASP A 87 -19.881 12.021 20.233 1.00 0.00 H new ATOM 0 HA ASP A 87 -21.537 10.486 22.046 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -19.119 10.131 20.417 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -18.936 9.439 22.016 1.00 0.00 H new ATOM 1312 N LEU A 88 -19.003 12.280 23.105 1.00 0.00 N ATOM 1313 CA LEU A 88 -18.358 12.819 24.297 1.00 0.00 C ATOM 1314 C LEU A 88 -19.373 13.517 25.197 1.00 0.00 C ATOM 1315 O LEU A 88 -19.427 13.268 26.402 1.00 0.00 O ATOM 1316 CB LEU A 88 -17.250 13.797 23.904 1.00 0.00 C ATOM 1317 CG LEU A 88 -16.047 13.192 23.178 1.00 0.00 C ATOM 1318 CD1 LEU A 88 -15.255 14.276 22.464 1.00 0.00 C ATOM 1319 CD2 LEU A 88 -15.159 12.437 24.156 1.00 0.00 C ATOM 0 H LEU A 88 -18.670 12.681 22.228 1.00 0.00 H new ATOM 0 HA LEU A 88 -17.921 11.988 24.850 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -17.683 14.569 23.267 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -16.893 14.292 24.807 1.00 0.00 H new ATOM 0 HG LEU A 88 -16.413 12.487 22.432 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -14.403 13.827 21.953 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -15.895 14.773 21.735 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -14.899 15.005 23.192 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -14.308 12.013 23.622 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -14.801 13.121 24.925 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -15.731 11.635 24.622 1.00 0.00 H new