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 -163:sc= 0.0166 USER MOD Set 1.2: A 39 GLN : amide:sc= -3.32 K(o=-4.3,f=-7.3!) USER MOD Set 1.3: A 84 GLN : amide:sc= -1.01 K(o=-4.3,f=-5.2) USER MOD Set 2.1: A 57 MET CE :methyl -126:sc= -1 (180deg=-4.07!) USER MOD Set 2.2: A 65 CYS SG : rot -130:sc= -0.0571 USER MOD Set 3.1: A 28 SER OG : rot 81:sc= 0.856 USER MOD Set 3.2: A 31 GLN : amide:sc= -1.29 X(o=-0.43,f=-0.16) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 25 GLN : amide:sc= -0.257 K(o=-0.26,f=-1.1!) 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 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.347) USER MOD Single : A 43 ASN : amide:sc= 1.11 K(o=1.1,f=-0.023) 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 -49:sc= 0.615 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 113:sc= -0.155 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot -160:sc= -0.382 USER MOD Single : A 64 ASN : amide:sc= -0.113 K(o=-0.11,f=-1.7!) USER MOD Single : A 80 GLN : amide:sc= -0.316 X(o=-0.32,f=-0.32) USER MOD Single : A 82 HIS : no HD1:sc= -0.468 X(o=-0.47,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 203 N ALA A 17 -3.538 11.560 26.663 1.00 0.00 N ATOM 204 CA ALA A 17 -3.976 12.714 25.887 1.00 0.00 C ATOM 205 C ALA A 17 -4.285 13.900 26.794 1.00 0.00 C ATOM 206 O ALA A 17 -4.888 13.741 27.856 1.00 0.00 O ATOM 207 CB ALA A 17 -5.195 12.355 25.050 1.00 0.00 C ATOM 0 HA ALA A 17 -3.163 13.002 25.220 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.511 13.226 24.476 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.942 11.543 24.368 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.006 12.039 25.706 1.00 0.00 H new ATOM 213 N SER A 18 -3.868 15.088 26.369 1.00 0.00 N ATOM 214 CA SER A 18 -4.097 16.301 27.146 1.00 0.00 C ATOM 215 C SER A 18 -5.590 16.565 27.314 1.00 0.00 C ATOM 216 O SER A 18 -6.002 17.323 28.192 1.00 0.00 O ATOM 217 CB SER A 18 -3.428 17.499 26.469 1.00 0.00 C ATOM 218 OG SER A 18 -2.391 18.029 27.277 1.00 0.00 O ATOM 0 H SER A 18 -3.370 15.237 25.491 1.00 0.00 H new ATOM 0 HA SER A 18 -3.658 16.159 28.134 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.022 17.195 25.504 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.171 18.272 26.273 1.00 0.00 H new ATOM 0 HG SER A 18 -1.979 18.792 26.821 1.00 0.00 H new ATOM 224 N TRP A 19 -6.394 15.935 26.466 1.00 0.00 N ATOM 225 CA TRP A 19 -7.842 16.102 26.519 1.00 0.00 C ATOM 226 C TRP A 19 -8.519 14.825 27.005 1.00 0.00 C ATOM 227 O TRP A 19 -9.723 14.640 26.822 1.00 0.00 O ATOM 228 CB TRP A 19 -8.383 16.488 25.142 1.00 0.00 C ATOM 229 CG TRP A 19 -7.802 15.673 24.026 1.00 0.00 C ATOM 230 CD1 TRP A 19 -6.706 15.981 23.271 1.00 0.00 C ATOM 231 CD2 TRP A 19 -8.288 14.418 23.538 1.00 0.00 C ATOM 232 NE1 TRP A 19 -6.482 14.992 22.343 1.00 0.00 N ATOM 233 CE2 TRP A 19 -7.438 14.022 22.487 1.00 0.00 C ATOM 234 CE3 TRP A 19 -9.357 13.589 23.888 1.00 0.00 C ATOM 235 CZ2 TRP A 19 -7.626 12.835 21.785 1.00 0.00 C ATOM 236 CZ3 TRP A 19 -9.543 12.411 23.190 1.00 0.00 C ATOM 237 CH2 TRP A 19 -8.681 12.042 22.148 1.00 0.00 C ATOM 0 H TRP A 19 -6.068 15.304 25.734 1.00 0.00 H new ATOM 0 HA TRP A 19 -8.065 16.901 27.226 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -9.467 16.373 25.140 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -8.174 17.542 24.960 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -6.104 16.870 23.386 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -5.726 14.982 21.658 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -10.026 13.864 24.690 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -6.963 12.550 20.982 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -10.367 11.763 23.452 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -8.852 11.115 21.622 1.00 0.00 H new ATOM 248 N LEU A 20 -7.740 13.946 27.625 1.00 0.00 N ATOM 249 CA LEU A 20 -8.265 12.685 28.138 1.00 0.00 C ATOM 250 C LEU A 20 -8.496 12.764 29.644 1.00 0.00 C ATOM 251 O LEU A 20 -7.574 13.043 30.410 1.00 0.00 O ATOM 252 CB LEU A 20 -7.302 11.541 27.818 1.00 0.00 C ATOM 253 CG LEU A 20 -7.697 10.639 26.647 1.00 0.00 C ATOM 254 CD1 LEU A 20 -6.647 9.561 26.427 1.00 0.00 C ATOM 255 CD2 LEU A 20 -9.062 10.015 26.893 1.00 0.00 C ATOM 0 H LEU A 20 -6.742 14.083 27.785 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.221 12.493 27.652 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -6.321 11.967 27.608 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.197 10.921 28.709 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.756 11.249 25.746 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -6.944 8.929 25.590 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.687 10.028 26.206 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.556 8.953 27.327 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -9.327 9.377 26.050 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -9.030 9.418 27.805 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -9.808 10.802 27.001 1.00 0.00 H new ATOM 267 N GLY A 21 -9.733 12.514 30.062 1.00 0.00 N ATOM 268 CA GLY A 21 -10.062 12.560 31.474 1.00 0.00 C ATOM 269 C GLY A 21 -11.013 13.691 31.812 1.00 0.00 C ATOM 270 O GLY A 21 -11.662 13.674 32.857 1.00 0.00 O ATOM 0 H GLY A 21 -10.513 12.280 29.448 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -10.510 11.612 31.770 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -9.146 12.674 32.054 1.00 0.00 H new ATOM 274 N GLU A 22 -11.095 14.678 30.924 1.00 0.00 N ATOM 275 CA GLU A 22 -11.973 15.823 31.136 1.00 0.00 C ATOM 276 C GLU A 22 -12.980 15.954 29.997 1.00 0.00 C ATOM 277 O GLU A 22 -12.660 15.688 28.839 1.00 0.00 O ATOM 278 CB GLU A 22 -11.151 17.108 31.255 1.00 0.00 C ATOM 279 CG GLU A 22 -11.932 18.280 31.824 1.00 0.00 C ATOM 280 CD GLU A 22 -12.251 18.109 33.296 1.00 0.00 C ATOM 281 OE1 GLU A 22 -11.475 17.423 33.995 1.00 0.00 O ATOM 282 OE2 GLU A 22 -13.275 18.660 33.750 1.00 0.00 O ATOM 0 H GLU A 22 -10.565 14.707 30.053 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.520 15.663 32.065 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.285 16.918 31.889 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.772 17.379 30.270 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.358 19.196 31.685 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.861 18.398 31.266 1.00 0.00 H new ATOM 289 N GLN A 23 -14.197 16.366 30.336 1.00 0.00 N ATOM 290 CA GLN A 23 -15.252 16.531 29.343 1.00 0.00 C ATOM 291 C GLN A 23 -14.845 17.547 28.281 1.00 0.00 C ATOM 292 O GLN A 23 -13.948 18.366 28.482 1.00 0.00 O ATOM 293 CB GLN A 23 -16.552 16.973 30.017 1.00 0.00 C ATOM 294 CG GLN A 23 -17.406 15.816 30.510 1.00 0.00 C ATOM 295 CD GLN A 23 -18.628 16.279 31.278 1.00 0.00 C ATOM 296 OE1 GLN A 23 -18.534 17.129 32.163 1.00 0.00 O ATOM 297 NE2 GLN A 23 -19.785 15.720 30.942 1.00 0.00 N ATOM 0 H GLN A 23 -14.477 16.592 31.290 1.00 0.00 H new ATOM 0 HA GLN A 23 -15.413 15.569 28.857 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -16.312 17.622 30.860 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -17.133 17.568 29.312 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -17.723 15.215 29.658 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -16.803 15.171 31.149 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -19.817 15.019 30.202 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -20.642 15.992 31.424 1.00 0.00 H new ATOM 306 N PRO A 24 -15.518 17.494 27.122 1.00 0.00 N ATOM 307 CA PRO A 24 -15.244 18.402 26.005 1.00 0.00 C ATOM 308 C PRO A 24 -15.675 19.834 26.303 1.00 0.00 C ATOM 309 O PRO A 24 -15.376 20.753 25.541 1.00 0.00 O ATOM 310 CB PRO A 24 -16.077 17.820 24.861 1.00 0.00 C ATOM 311 CG PRO A 24 -17.180 17.080 25.534 1.00 0.00 C ATOM 312 CD PRO A 24 -16.599 16.543 26.813 1.00 0.00 C ATOM 0 HA PRO A 24 -14.179 18.466 25.784 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -16.465 18.607 24.214 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -15.480 17.157 24.234 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -18.025 17.738 25.735 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -17.549 16.271 24.903 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -17.343 16.508 27.609 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -16.219 15.529 26.687 1.00 0.00 H new ATOM 320 N GLN A 25 -16.379 20.016 27.415 1.00 0.00 N ATOM 321 CA GLN A 25 -16.852 21.336 27.813 1.00 0.00 C ATOM 322 C GLN A 25 -15.777 22.088 28.590 1.00 0.00 C ATOM 323 O GLN A 25 -15.774 23.319 28.635 1.00 0.00 O ATOM 324 CB GLN A 25 -18.119 21.214 28.661 1.00 0.00 C ATOM 325 CG GLN A 25 -19.141 20.243 28.091 1.00 0.00 C ATOM 326 CD GLN A 25 -20.542 20.822 28.060 1.00 0.00 C ATOM 327 OE1 GLN A 25 -20.725 22.025 27.869 1.00 0.00 O ATOM 328 NE2 GLN A 25 -21.540 19.967 28.248 1.00 0.00 N ATOM 0 H GLN A 25 -16.635 19.265 28.057 1.00 0.00 H new ATOM 0 HA GLN A 25 -17.082 21.899 26.908 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -17.844 20.892 29.665 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -18.579 22.198 28.757 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -18.845 19.962 27.080 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -19.142 19.331 28.688 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -21.342 18.978 28.403 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -22.505 20.299 28.238 1.00 0.00 H new ATOM 337 N PHE A 26 -14.864 21.341 29.202 1.00 0.00 N ATOM 338 CA PHE A 26 -13.784 21.937 29.979 1.00 0.00 C ATOM 339 C PHE A 26 -12.442 21.748 29.278 1.00 0.00 C ATOM 340 O PHE A 26 -11.450 21.374 29.904 1.00 0.00 O ATOM 341 CB PHE A 26 -13.732 21.319 31.378 1.00 0.00 C ATOM 342 CG PHE A 26 -15.012 21.476 32.150 1.00 0.00 C ATOM 343 CD1 PHE A 26 -16.045 20.565 31.996 1.00 0.00 C ATOM 344 CD2 PHE A 26 -15.181 22.533 33.029 1.00 0.00 C ATOM 345 CE1 PHE A 26 -17.223 20.707 32.704 1.00 0.00 C ATOM 346 CE2 PHE A 26 -16.357 22.680 33.741 1.00 0.00 C ATOM 347 CZ PHE A 26 -17.379 21.765 33.578 1.00 0.00 C ATOM 0 H PHE A 26 -14.851 20.321 29.175 1.00 0.00 H new ATOM 0 HA PHE A 26 -13.981 23.005 30.068 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -13.498 20.258 31.290 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -12.919 21.779 31.940 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -15.928 19.735 31.315 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -14.385 23.251 33.160 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -18.021 19.991 32.574 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -16.476 23.509 34.423 1.00 0.00 H new ATOM 0 HZ PHE A 26 -18.299 21.877 34.133 1.00 0.00 H new ATOM 357 N TRP A 27 -12.419 22.010 27.976 1.00 0.00 N ATOM 358 CA TRP A 27 -11.200 21.868 27.189 1.00 0.00 C ATOM 359 C TRP A 27 -10.506 23.215 27.014 1.00 0.00 C ATOM 360 O TRP A 27 -11.138 24.267 27.113 1.00 0.00 O ATOM 361 CB TRP A 27 -11.518 21.263 25.821 1.00 0.00 C ATOM 362 CG TRP A 27 -11.608 19.767 25.840 1.00 0.00 C ATOM 363 CD1 TRP A 27 -11.567 18.957 26.939 1.00 0.00 C ATOM 364 CD2 TRP A 27 -11.753 18.903 24.708 1.00 0.00 C ATOM 365 NE1 TRP A 27 -11.677 17.642 26.559 1.00 0.00 N ATOM 366 CE2 TRP A 27 -11.794 17.581 25.195 1.00 0.00 C ATOM 367 CE3 TRP A 27 -11.855 19.116 23.331 1.00 0.00 C ATOM 368 CZ2 TRP A 27 -11.930 16.482 24.352 1.00 0.00 C ATOM 369 CZ3 TRP A 27 -11.990 18.023 22.496 1.00 0.00 C ATOM 370 CH2 TRP A 27 -12.028 16.720 23.008 1.00 0.00 C ATOM 0 H TRP A 27 -13.231 22.322 27.443 1.00 0.00 H new ATOM 0 HA TRP A 27 -10.527 21.200 27.726 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -12.462 21.672 25.461 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -10.748 21.565 25.110 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -11.463 19.300 27.958 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -11.672 16.840 27.190 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -11.829 20.117 22.926 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -11.957 15.476 24.745 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -12.068 18.176 21.430 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -12.137 15.887 22.329 1.00 0.00 H new ATOM 381 N SER A 28 -9.203 23.175 26.753 1.00 0.00 N ATOM 382 CA SER A 28 -8.424 24.393 26.567 1.00 0.00 C ATOM 383 C SER A 28 -8.168 24.654 25.085 1.00 0.00 C ATOM 384 O SER A 28 -8.383 23.783 24.243 1.00 0.00 O ATOM 385 CB SER A 28 -7.093 24.291 27.315 1.00 0.00 C ATOM 386 OG SER A 28 -7.297 23.935 28.671 1.00 0.00 O ATOM 0 H SER A 28 -8.665 22.313 26.666 1.00 0.00 H new ATOM 0 HA SER A 28 -8.998 25.227 26.971 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.457 23.549 26.833 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.568 25.245 27.261 1.00 0.00 H new ATOM 0 HG SER A 28 -7.427 22.966 28.739 1.00 0.00 H new ATOM 392 N LYS A 29 -7.708 25.862 24.775 1.00 0.00 N ATOM 393 CA LYS A 29 -7.422 26.240 23.396 1.00 0.00 C ATOM 394 C LYS A 29 -6.425 25.275 22.763 1.00 0.00 C ATOM 395 O LYS A 29 -6.441 25.055 21.551 1.00 0.00 O ATOM 396 CB LYS A 29 -6.872 27.667 23.341 1.00 0.00 C ATOM 397 CG LYS A 29 -7.937 28.736 23.511 1.00 0.00 C ATOM 398 CD LYS A 29 -7.416 29.922 24.305 1.00 0.00 C ATOM 399 CE LYS A 29 -8.364 31.109 24.223 1.00 0.00 C ATOM 400 NZ LYS A 29 -7.650 32.366 23.866 1.00 0.00 N ATOM 0 H LYS A 29 -7.525 26.595 25.460 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.354 26.194 22.832 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.120 27.788 24.121 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.368 27.817 22.386 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.275 29.073 22.531 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.803 28.310 24.018 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.283 29.633 25.347 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.436 30.212 23.927 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.136 30.907 23.481 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.869 31.237 25.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.331 33.151 23.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.930 32.573 24.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.189 32.253 22.940 1.00 0.00 H new ATOM 414 N THR A 30 -5.558 24.700 23.590 1.00 0.00 N ATOM 415 CA THR A 30 -4.553 23.758 23.112 1.00 0.00 C ATOM 416 C THR A 30 -5.136 22.356 22.972 1.00 0.00 C ATOM 417 O THR A 30 -4.867 21.657 21.996 1.00 0.00 O ATOM 418 CB THR A 30 -3.338 23.705 24.056 1.00 0.00 C ATOM 419 OG1 THR A 30 -3.078 25.006 24.594 1.00 0.00 O ATOM 420 CG2 THR A 30 -2.105 23.198 23.323 1.00 0.00 C ATOM 0 H THR A 30 -5.531 24.870 24.595 1.00 0.00 H new ATOM 0 HA THR A 30 -4.228 24.113 22.134 1.00 0.00 H new ATOM 0 HB THR A 30 -3.567 23.016 24.869 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.305 24.963 25.195 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.259 23.169 24.010 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.296 22.195 22.940 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.875 23.866 22.493 1.00 0.00 H new ATOM 428 N GLN A 31 -5.936 21.953 23.954 1.00 0.00 N ATOM 429 CA GLN A 31 -6.556 20.633 23.940 1.00 0.00 C ATOM 430 C GLN A 31 -7.341 20.415 22.650 1.00 0.00 C ATOM 431 O GLN A 31 -7.204 19.382 21.995 1.00 0.00 O ATOM 432 CB GLN A 31 -7.481 20.468 25.147 1.00 0.00 C ATOM 433 CG GLN A 31 -6.754 20.521 26.481 1.00 0.00 C ATOM 434 CD GLN A 31 -7.686 20.329 27.661 1.00 0.00 C ATOM 435 OE1 GLN A 31 -7.646 21.090 28.629 1.00 0.00 O ATOM 436 NE2 GLN A 31 -8.534 19.310 27.587 1.00 0.00 N ATOM 0 H GLN A 31 -6.170 22.521 24.768 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.764 19.886 23.993 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.238 21.252 25.124 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.005 19.516 25.066 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.984 19.750 26.502 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.246 21.481 26.576 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -8.533 18.704 26.766 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -9.186 19.133 28.351 1.00 0.00 H new ATOM 445 N VAL A 32 -8.164 21.395 22.291 1.00 0.00 N ATOM 446 CA VAL A 32 -8.971 21.310 21.079 1.00 0.00 C ATOM 447 C VAL A 32 -8.109 20.967 19.869 1.00 0.00 C ATOM 448 O VAL A 32 -8.276 19.914 19.252 1.00 0.00 O ATOM 449 CB VAL A 32 -9.716 22.630 20.808 1.00 0.00 C ATOM 450 CG1 VAL A 32 -10.589 22.506 19.568 1.00 0.00 C ATOM 451 CG2 VAL A 32 -10.548 23.030 22.017 1.00 0.00 C ATOM 0 H VAL A 32 -8.290 22.257 22.822 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.701 20.516 21.238 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.979 23.412 20.628 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -11.108 23.448 19.392 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -9.965 22.269 18.706 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -11.320 21.712 19.716 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -11.068 23.965 21.808 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -11.278 22.249 22.231 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.895 23.163 22.880 1.00 0.00 H new ATOM 461 N LEU A 33 -7.187 21.863 19.533 1.00 0.00 N ATOM 462 CA LEU A 33 -6.298 21.656 18.396 1.00 0.00 C ATOM 463 C LEU A 33 -5.533 20.343 18.535 1.00 0.00 C ATOM 464 O LEU A 33 -5.119 19.747 17.541 1.00 0.00 O ATOM 465 CB LEU A 33 -5.315 22.822 18.273 1.00 0.00 C ATOM 466 CG LEU A 33 -5.931 24.193 17.994 1.00 0.00 C ATOM 467 CD1 LEU A 33 -4.992 25.302 18.443 1.00 0.00 C ATOM 468 CD2 LEU A 33 -6.261 24.338 16.515 1.00 0.00 C ATOM 0 H LEU A 33 -7.036 22.740 20.032 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.908 21.606 17.494 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.740 22.885 19.197 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.610 22.594 17.474 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.857 24.276 18.563 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.448 26.270 18.236 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.805 25.210 19.513 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.049 25.222 17.902 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.699 25.320 16.334 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.349 24.233 15.927 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.972 23.565 16.223 1.00 0.00 H new ATOM 480 N ASP A 34 -5.351 19.899 19.773 1.00 0.00 N ATOM 481 CA ASP A 34 -4.639 18.655 20.042 1.00 0.00 C ATOM 482 C ASP A 34 -5.529 17.448 19.764 1.00 0.00 C ATOM 483 O ASP A 34 -5.040 16.367 19.436 1.00 0.00 O ATOM 484 CB ASP A 34 -4.154 18.623 21.492 1.00 0.00 C ATOM 485 CG ASP A 34 -2.776 19.234 21.656 1.00 0.00 C ATOM 486 OD1 ASP A 34 -1.877 18.889 20.862 1.00 0.00 O ATOM 487 OD2 ASP A 34 -2.598 20.057 22.579 1.00 0.00 O ATOM 0 H ASP A 34 -5.686 20.382 20.607 1.00 0.00 H new ATOM 0 HA ASP A 34 -3.776 18.608 19.377 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.864 19.160 22.121 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.135 17.591 21.843 1.00 0.00 H new ATOM 492 N TRP A 35 -6.836 17.640 19.898 1.00 0.00 N ATOM 493 CA TRP A 35 -7.795 16.566 19.662 1.00 0.00 C ATOM 494 C TRP A 35 -8.004 16.342 18.169 1.00 0.00 C ATOM 495 O TRP A 35 -8.253 15.219 17.730 1.00 0.00 O ATOM 496 CB TRP A 35 -9.130 16.890 20.334 1.00 0.00 C ATOM 497 CG TRP A 35 -10.222 15.926 19.980 1.00 0.00 C ATOM 498 CD1 TRP A 35 -10.411 14.676 20.497 1.00 0.00 C ATOM 499 CD2 TRP A 35 -11.274 16.133 19.031 1.00 0.00 C ATOM 500 NE1 TRP A 35 -11.517 14.094 19.926 1.00 0.00 N ATOM 501 CE2 TRP A 35 -12.064 14.967 19.025 1.00 0.00 C ATOM 502 CE3 TRP A 35 -11.626 17.190 18.188 1.00 0.00 C ATOM 503 CZ2 TRP A 35 -13.183 14.831 18.207 1.00 0.00 C ATOM 504 CZ3 TRP A 35 -12.736 17.054 17.377 1.00 0.00 C ATOM 505 CH2 TRP A 35 -13.505 15.882 17.391 1.00 0.00 C ATOM 0 H TRP A 35 -7.257 18.529 20.169 1.00 0.00 H new ATOM 0 HA TRP A 35 -7.392 15.650 20.095 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -8.993 16.892 21.415 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -9.437 17.896 20.050 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -9.784 14.213 21.244 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -11.873 13.162 20.139 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -11.041 18.097 18.171 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -13.776 13.928 18.216 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -13.016 17.865 16.721 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -14.368 15.807 16.746 1.00 0.00 H new ATOM 516 N ILE A 36 -7.901 17.416 17.393 1.00 0.00 N ATOM 517 CA ILE A 36 -8.077 17.334 15.949 1.00 0.00 C ATOM 518 C ILE A 36 -7.045 16.405 15.320 1.00 0.00 C ATOM 519 O ILE A 36 -7.391 15.492 14.570 1.00 0.00 O ATOM 520 CB ILE A 36 -7.972 18.722 15.289 1.00 0.00 C ATOM 521 CG1 ILE A 36 -8.954 19.697 15.941 1.00 0.00 C ATOM 522 CG2 ILE A 36 -8.233 18.619 13.794 1.00 0.00 C ATOM 523 CD1 ILE A 36 -8.899 21.091 15.357 1.00 0.00 C ATOM 0 H ILE A 36 -7.697 18.353 17.741 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.076 16.933 15.776 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.961 19.102 15.436 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.966 19.307 15.834 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.745 19.751 17.009 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -8.155 19.608 13.342 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.497 17.954 13.341 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.234 18.221 13.626 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.622 21.728 15.867 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.898 21.501 15.488 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.138 21.050 14.294 1.00 0.00 H new ATOM 535 N SER A 37 -5.775 16.642 15.633 1.00 0.00 N ATOM 536 CA SER A 37 -4.690 15.828 15.098 1.00 0.00 C ATOM 537 C SER A 37 -4.961 14.344 15.327 1.00 0.00 C ATOM 538 O SER A 37 -4.631 13.504 14.489 1.00 0.00 O ATOM 539 CB SER A 37 -3.361 16.221 15.745 1.00 0.00 C ATOM 540 OG SER A 37 -2.340 15.294 15.418 1.00 0.00 O ATOM 0 H SER A 37 -5.472 17.392 16.255 1.00 0.00 H new ATOM 0 HA SER A 37 -4.630 16.008 14.025 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.072 17.218 15.412 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.480 16.269 16.827 1.00 0.00 H new ATOM 0 HG SER A 37 -1.501 15.569 15.843 1.00 0.00 H new ATOM 546 N TYR A 38 -5.565 14.029 16.467 1.00 0.00 N ATOM 547 CA TYR A 38 -5.879 12.646 16.809 1.00 0.00 C ATOM 548 C TYR A 38 -6.843 12.040 15.794 1.00 0.00 C ATOM 549 O TYR A 38 -6.642 10.921 15.324 1.00 0.00 O ATOM 550 CB TYR A 38 -6.483 12.571 18.212 1.00 0.00 C ATOM 551 CG TYR A 38 -7.610 11.570 18.332 1.00 0.00 C ATOM 552 CD1 TYR A 38 -7.359 10.204 18.301 1.00 0.00 C ATOM 553 CD2 TYR A 38 -8.927 11.990 18.477 1.00 0.00 C ATOM 554 CE1 TYR A 38 -8.385 9.286 18.410 1.00 0.00 C ATOM 555 CE2 TYR A 38 -9.959 11.079 18.589 1.00 0.00 C ATOM 556 CZ TYR A 38 -9.684 9.728 18.554 1.00 0.00 C ATOM 557 OH TYR A 38 -10.710 8.818 18.663 1.00 0.00 O ATOM 0 H TYR A 38 -5.847 14.712 17.170 1.00 0.00 H new ATOM 0 HA TYR A 38 -4.952 12.073 16.789 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.699 12.310 18.923 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -6.852 13.557 18.493 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -6.343 9.854 18.190 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -9.147 13.047 18.503 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -8.172 8.228 18.383 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -10.976 11.423 18.703 1.00 0.00 H new ATOM 0 HH TYR A 38 -11.564 9.266 18.489 1.00 0.00 H new ATOM 567 N GLN A 39 -7.890 12.788 15.462 1.00 0.00 N ATOM 568 CA GLN A 39 -8.886 12.325 14.503 1.00 0.00 C ATOM 569 C GLN A 39 -8.363 12.440 13.075 1.00 0.00 C ATOM 570 O GLN A 39 -8.821 11.735 12.176 1.00 0.00 O ATOM 571 CB GLN A 39 -10.180 13.128 14.651 1.00 0.00 C ATOM 572 CG GLN A 39 -11.207 12.465 15.555 1.00 0.00 C ATOM 573 CD GLN A 39 -12.350 11.841 14.780 1.00 0.00 C ATOM 574 OE1 GLN A 39 -13.007 12.505 13.977 1.00 0.00 O ATOM 575 NE2 GLN A 39 -12.595 10.557 15.017 1.00 0.00 N ATOM 0 H GLN A 39 -8.071 13.717 15.843 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.092 11.275 14.711 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.942 14.115 15.048 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -10.619 13.278 13.665 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -10.717 11.697 16.153 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -11.605 13.205 16.250 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -12.025 10.045 15.691 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -13.353 10.083 14.525 1.00 0.00 H new ATOM 584 N VAL A 40 -7.400 13.335 12.874 1.00 0.00 N ATOM 585 CA VAL A 40 -6.814 13.543 11.555 1.00 0.00 C ATOM 586 C VAL A 40 -5.798 12.454 11.228 1.00 0.00 C ATOM 587 O VAL A 40 -5.569 12.136 10.062 1.00 0.00 O ATOM 588 CB VAL A 40 -6.126 14.918 11.458 1.00 0.00 C ATOM 589 CG1 VAL A 40 -5.481 15.096 10.092 1.00 0.00 C ATOM 590 CG2 VAL A 40 -7.123 16.032 11.735 1.00 0.00 C ATOM 0 H VAL A 40 -7.010 13.927 13.607 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.631 13.502 10.835 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.342 14.968 12.213 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.000 16.073 10.041 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.736 14.316 9.937 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.245 15.027 9.317 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.620 16.996 11.662 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.930 15.988 11.004 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -7.534 15.912 12.737 1.00 0.00 H new ATOM 600 N GLU A 41 -5.191 11.887 12.266 1.00 0.00 N ATOM 601 CA GLU A 41 -4.198 10.834 12.088 1.00 0.00 C ATOM 602 C GLU A 41 -4.867 9.466 11.998 1.00 0.00 C ATOM 603 O GLU A 41 -4.328 8.536 11.396 1.00 0.00 O ATOM 604 CB GLU A 41 -3.194 10.848 13.243 1.00 0.00 C ATOM 605 CG GLU A 41 -2.148 9.750 13.153 1.00 0.00 C ATOM 606 CD GLU A 41 -1.286 9.866 11.911 1.00 0.00 C ATOM 607 OE1 GLU A 41 -0.698 10.946 11.696 1.00 0.00 O ATOM 608 OE2 GLU A 41 -1.201 8.877 11.154 1.00 0.00 O ATOM 0 H GLU A 41 -5.369 12.139 13.238 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.669 11.023 11.154 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.692 11.815 13.265 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.734 10.747 14.184 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.512 9.786 14.037 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.644 8.779 13.157 1.00 0.00 H new ATOM 615 N LYS A 42 -6.045 9.349 12.601 1.00 0.00 N ATOM 616 CA LYS A 42 -6.790 8.095 12.590 1.00 0.00 C ATOM 617 C LYS A 42 -7.559 7.931 11.282 1.00 0.00 C ATOM 618 O LYS A 42 -7.486 6.887 10.636 1.00 0.00 O ATOM 619 CB LYS A 42 -7.759 8.043 13.773 1.00 0.00 C ATOM 620 CG LYS A 42 -7.594 6.808 14.641 1.00 0.00 C ATOM 621 CD LYS A 42 -7.471 7.171 16.111 1.00 0.00 C ATOM 622 CE LYS A 42 -7.110 5.959 16.956 1.00 0.00 C ATOM 623 NZ LYS A 42 -8.164 5.652 17.963 1.00 0.00 N ATOM 0 H LYS A 42 -6.505 10.108 13.104 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.076 7.276 12.677 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.616 8.931 14.388 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.781 8.078 13.396 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.448 6.146 14.499 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.708 6.257 14.326 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.710 7.941 16.234 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.412 7.594 16.463 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.964 5.095 16.308 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.163 6.140 17.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.087 4.656 18.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.040 6.265 18.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.102 5.820 17.546 1.00 0.00 H new ATOM 637 N ASN A 43 -8.294 8.970 10.899 1.00 0.00 N ATOM 638 CA ASN A 43 -9.075 8.941 9.667 1.00 0.00 C ATOM 639 C ASN A 43 -8.167 9.027 8.445 1.00 0.00 C ATOM 640 O ASN A 43 -8.613 8.847 7.311 1.00 0.00 O ATOM 641 CB ASN A 43 -10.082 10.092 9.650 1.00 0.00 C ATOM 642 CG ASN A 43 -11.244 9.857 10.596 1.00 0.00 C ATOM 643 OD1 ASN A 43 -12.327 9.448 10.177 1.00 0.00 O ATOM 644 ND2 ASN A 43 -11.024 10.116 11.880 1.00 0.00 N ATOM 0 H ASN A 43 -8.365 9.842 11.423 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.614 7.995 9.631 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -9.576 11.018 9.923 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.462 10.224 8.637 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.769 9.977 12.563 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.110 10.454 12.183 1.00 0.00 H new ATOM 651 N LYS A 44 -6.889 9.302 8.682 1.00 0.00 N ATOM 652 CA LYS A 44 -5.915 9.411 7.602 1.00 0.00 C ATOM 653 C LYS A 44 -6.259 10.573 6.675 1.00 0.00 C ATOM 654 O LYS A 44 -6.029 10.504 5.467 1.00 0.00 O ATOM 655 CB LYS A 44 -5.861 8.106 6.804 1.00 0.00 C ATOM 656 CG LYS A 44 -5.765 6.865 7.674 1.00 0.00 C ATOM 657 CD LYS A 44 -4.631 5.958 7.228 1.00 0.00 C ATOM 658 CE LYS A 44 -5.102 4.940 6.200 1.00 0.00 C ATOM 659 NZ LYS A 44 -4.050 4.648 5.187 1.00 0.00 N ATOM 0 H LYS A 44 -6.503 9.454 9.614 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.937 9.600 8.045 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.752 8.034 6.180 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.003 8.136 6.132 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.610 7.159 8.712 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.707 6.318 7.634 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.828 6.560 6.804 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.218 5.439 8.093 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.385 4.017 6.706 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.994 5.316 5.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.409 3.950 4.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.798 5.524 4.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.207 4.266 5.662 1.00 0.00 H new ATOM 673 N TYR A 45 -6.808 11.638 7.247 1.00 0.00 N ATOM 674 CA TYR A 45 -7.184 12.814 6.471 1.00 0.00 C ATOM 675 C TYR A 45 -5.947 13.566 5.989 1.00 0.00 C ATOM 676 O TYR A 45 -4.963 13.696 6.716 1.00 0.00 O ATOM 677 CB TYR A 45 -8.065 13.743 7.309 1.00 0.00 C ATOM 678 CG TYR A 45 -8.737 14.830 6.501 1.00 0.00 C ATOM 679 CD1 TYR A 45 -9.496 14.521 5.379 1.00 0.00 C ATOM 680 CD2 TYR A 45 -8.613 16.167 6.860 1.00 0.00 C ATOM 681 CE1 TYR A 45 -10.111 15.511 4.637 1.00 0.00 C ATOM 682 CE2 TYR A 45 -9.226 17.163 6.125 1.00 0.00 C ATOM 683 CZ TYR A 45 -9.974 16.830 5.015 1.00 0.00 C ATOM 684 OH TYR A 45 -10.585 17.820 4.280 1.00 0.00 O ATOM 0 H TYR A 45 -7.003 11.712 8.246 1.00 0.00 H new ATOM 0 HA TYR A 45 -7.746 12.479 5.599 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -8.829 13.150 7.811 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.456 14.204 8.087 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -9.607 13.489 5.082 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -8.028 16.432 7.728 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.696 15.253 3.766 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -9.120 18.197 6.418 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.648 17.540 3.343 1.00 0.00 H new ATOM 694 N ASP A 46 -6.007 14.059 4.757 1.00 0.00 N ATOM 695 CA ASP A 46 -4.894 14.801 4.175 1.00 0.00 C ATOM 696 C ASP A 46 -4.446 15.926 5.103 1.00 0.00 C ATOM 697 O ASP A 46 -3.266 16.268 5.155 1.00 0.00 O ATOM 698 CB ASP A 46 -5.290 15.373 2.813 1.00 0.00 C ATOM 699 CG ASP A 46 -4.360 14.924 1.704 1.00 0.00 C ATOM 700 OD1 ASP A 46 -3.129 14.983 1.902 1.00 0.00 O ATOM 701 OD2 ASP A 46 -4.864 14.514 0.637 1.00 0.00 O ATOM 0 H ASP A 46 -6.814 13.958 4.142 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.061 14.111 4.041 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -6.309 15.066 2.576 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.289 16.462 2.865 1.00 0.00 H new ATOM 706 N ALA A 47 -5.398 16.498 5.833 1.00 0.00 N ATOM 707 CA ALA A 47 -5.102 17.583 6.759 1.00 0.00 C ATOM 708 C ALA A 47 -4.552 18.800 6.022 1.00 0.00 C ATOM 709 O ALA A 47 -3.832 19.614 6.600 1.00 0.00 O ATOM 710 CB ALA A 47 -4.117 17.117 7.821 1.00 0.00 C ATOM 0 H ALA A 47 -6.381 16.228 5.801 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.032 17.876 7.246 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.905 17.938 8.506 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.548 16.283 8.376 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.192 16.795 7.343 1.00 0.00 H new ATOM 716 N SER A 48 -4.895 18.916 4.743 1.00 0.00 N ATOM 717 CA SER A 48 -4.432 20.031 3.926 1.00 0.00 C ATOM 718 C SER A 48 -5.584 20.972 3.588 1.00 0.00 C ATOM 719 O SER A 48 -5.622 21.562 2.509 1.00 0.00 O ATOM 720 CB SER A 48 -3.787 19.513 2.638 1.00 0.00 C ATOM 721 OG SER A 48 -3.188 20.569 1.908 1.00 0.00 O ATOM 0 H SER A 48 -5.492 18.251 4.250 1.00 0.00 H new ATOM 0 HA SER A 48 -3.689 20.586 4.499 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.035 18.762 2.881 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.541 19.022 2.022 1.00 0.00 H new ATOM 0 HG SER A 48 -3.822 21.312 1.827 1.00 0.00 H new ATOM 727 N ALA A 49 -6.522 21.108 4.520 1.00 0.00 N ATOM 728 CA ALA A 49 -7.674 21.979 4.323 1.00 0.00 C ATOM 729 C ALA A 49 -8.096 22.635 5.633 1.00 0.00 C ATOM 730 O ALA A 49 -8.418 23.823 5.667 1.00 0.00 O ATOM 731 CB ALA A 49 -8.833 21.194 3.727 1.00 0.00 C ATOM 0 H ALA A 49 -6.506 20.626 5.419 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.387 22.768 3.627 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.687 21.857 3.585 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.534 20.777 2.765 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.110 20.385 4.403 1.00 0.00 H new ATOM 737 N ILE A 50 -8.093 21.855 6.709 1.00 0.00 N ATOM 738 CA ILE A 50 -8.476 22.361 8.021 1.00 0.00 C ATOM 739 C ILE A 50 -7.703 23.629 8.367 1.00 0.00 C ATOM 740 O ILE A 50 -6.482 23.686 8.214 1.00 0.00 O ATOM 741 CB ILE A 50 -8.236 21.311 9.121 1.00 0.00 C ATOM 742 CG1 ILE A 50 -9.023 20.034 8.818 1.00 0.00 C ATOM 743 CG2 ILE A 50 -8.627 21.870 10.481 1.00 0.00 C ATOM 744 CD1 ILE A 50 -8.786 18.926 9.820 1.00 0.00 C ATOM 0 H ILE A 50 -7.829 20.870 6.698 1.00 0.00 H new ATOM 0 HA ILE A 50 -9.541 22.588 7.974 1.00 0.00 H new ATOM 0 HB ILE A 50 -7.174 21.065 9.142 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.087 20.270 8.794 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.753 19.678 7.824 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -8.452 21.116 11.248 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.027 22.754 10.697 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -9.683 22.141 10.473 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.376 18.052 9.542 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.728 18.663 9.828 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -9.083 19.264 10.813 1.00 0.00 H new ATOM 756 N ASP A 51 -8.421 24.644 8.835 1.00 0.00 N ATOM 757 CA ASP A 51 -7.802 25.911 9.207 1.00 0.00 C ATOM 758 C ASP A 51 -7.690 26.037 10.723 1.00 0.00 C ATOM 759 O ASP A 51 -8.544 26.641 11.371 1.00 0.00 O ATOM 760 CB ASP A 51 -8.610 27.082 8.644 1.00 0.00 C ATOM 761 CG ASP A 51 -8.086 27.555 7.303 1.00 0.00 C ATOM 762 OD1 ASP A 51 -8.192 26.791 6.321 1.00 0.00 O ATOM 763 OD2 ASP A 51 -7.568 28.690 7.235 1.00 0.00 O ATOM 0 H ASP A 51 -9.432 24.614 8.966 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.798 25.935 8.783 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -9.653 26.783 8.538 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.586 27.910 9.353 1.00 0.00 H new ATOM 768 N PHE A 52 -6.630 25.462 11.282 1.00 0.00 N ATOM 769 CA PHE A 52 -6.406 25.508 12.722 1.00 0.00 C ATOM 770 C PHE A 52 -6.430 26.946 13.231 1.00 0.00 C ATOM 771 O PHE A 52 -6.767 27.202 14.387 1.00 0.00 O ATOM 772 CB PHE A 52 -5.069 24.853 13.073 1.00 0.00 C ATOM 773 CG PHE A 52 -4.987 23.407 12.676 1.00 0.00 C ATOM 774 CD1 PHE A 52 -5.406 22.412 13.544 1.00 0.00 C ATOM 775 CD2 PHE A 52 -4.490 23.043 11.435 1.00 0.00 C ATOM 776 CE1 PHE A 52 -5.332 21.080 13.181 1.00 0.00 C ATOM 777 CE2 PHE A 52 -4.414 21.713 11.067 1.00 0.00 C ATOM 778 CZ PHE A 52 -4.834 20.730 11.941 1.00 0.00 C ATOM 0 H PHE A 52 -5.913 24.959 10.760 1.00 0.00 H new ATOM 0 HA PHE A 52 -7.211 24.956 13.207 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.265 25.402 12.583 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.904 24.936 14.147 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.795 22.680 14.515 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.158 23.807 10.748 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.663 20.314 13.866 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.026 21.443 10.096 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.773 19.690 11.656 1.00 0.00 H new ATOM 788 N SER A 53 -6.070 27.882 12.358 1.00 0.00 N ATOM 789 CA SER A 53 -6.045 29.295 12.719 1.00 0.00 C ATOM 790 C SER A 53 -7.444 29.788 13.078 1.00 0.00 C ATOM 791 O SER A 53 -7.602 30.730 13.854 1.00 0.00 O ATOM 792 CB SER A 53 -5.478 30.127 11.568 1.00 0.00 C ATOM 793 OG SER A 53 -4.081 30.314 11.713 1.00 0.00 O ATOM 0 H SER A 53 -5.792 27.687 11.396 1.00 0.00 H new ATOM 0 HA SER A 53 -5.403 29.411 13.592 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.685 29.630 10.620 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.976 31.096 11.536 1.00 0.00 H new ATOM 0 HG SER A 53 -3.743 30.847 10.964 1.00 0.00 H new ATOM 799 N ARG A 54 -8.456 29.144 12.506 1.00 0.00 N ATOM 800 CA ARG A 54 -9.842 29.517 12.763 1.00 0.00 C ATOM 801 C ARG A 54 -10.365 28.831 14.022 1.00 0.00 C ATOM 802 O ARG A 54 -11.277 29.332 14.681 1.00 0.00 O ATOM 803 CB ARG A 54 -10.722 29.151 11.567 1.00 0.00 C ATOM 804 CG ARG A 54 -10.863 30.271 10.549 1.00 0.00 C ATOM 805 CD ARG A 54 -12.276 30.833 10.533 1.00 0.00 C ATOM 806 NE ARG A 54 -12.475 31.844 11.568 1.00 0.00 N ATOM 807 CZ ARG A 54 -13.645 32.423 11.815 1.00 0.00 C ATOM 808 NH1 ARG A 54 -14.715 32.093 11.104 1.00 0.00 N ATOM 809 NH2 ARG A 54 -13.747 33.334 12.774 1.00 0.00 N ATOM 0 H ARG A 54 -8.342 28.362 11.862 1.00 0.00 H new ATOM 0 HA ARG A 54 -9.879 30.596 12.915 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.303 28.274 11.074 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.712 28.872 11.927 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -10.156 31.067 10.782 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.607 29.898 9.557 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.481 31.270 9.556 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.990 30.022 10.676 1.00 0.00 H new ATOM 0 HE ARG A 54 -11.672 32.121 12.132 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.641 31.393 10.366 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -15.612 32.539 11.296 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -12.926 33.591 13.323 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -14.646 33.778 12.962 1.00 0.00 H new ATOM 823 N CYS A 55 -9.782 27.683 14.349 1.00 0.00 N ATOM 824 CA CYS A 55 -10.190 26.927 15.528 1.00 0.00 C ATOM 825 C CYS A 55 -9.687 27.596 16.803 1.00 0.00 C ATOM 826 O CYS A 55 -8.733 27.129 17.426 1.00 0.00 O ATOM 827 CB CYS A 55 -9.664 25.493 15.447 1.00 0.00 C ATOM 828 SG CYS A 55 -10.229 24.423 16.791 1.00 0.00 S ATOM 0 H CYS A 55 -9.026 27.255 13.815 1.00 0.00 H new ATOM 0 HA CYS A 55 -11.279 26.905 15.557 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -9.972 25.058 14.496 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -8.574 25.516 15.449 1.00 0.00 H new ATOM 0 HG CYS A 55 -11.022 23.510 16.315 1.00 0.00 H new ATOM 834 N ASP A 56 -10.334 28.691 17.185 1.00 0.00 N ATOM 835 CA ASP A 56 -9.952 29.425 18.386 1.00 0.00 C ATOM 836 C ASP A 56 -10.812 29.008 19.574 1.00 0.00 C ATOM 837 O ASP A 56 -10.758 29.624 20.638 1.00 0.00 O ATOM 838 CB ASP A 56 -10.079 30.931 18.151 1.00 0.00 C ATOM 839 CG ASP A 56 -9.094 31.732 18.979 1.00 0.00 C ATOM 840 OD1 ASP A 56 -8.699 31.249 20.061 1.00 0.00 O ATOM 841 OD2 ASP A 56 -8.718 32.842 18.547 1.00 0.00 O ATOM 0 H ASP A 56 -11.126 29.090 16.681 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.913 29.187 18.612 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.919 31.145 17.094 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -11.094 31.249 18.391 1.00 0.00 H new ATOM 846 N MET A 57 -11.606 27.960 19.384 1.00 0.00 N ATOM 847 CA MET A 57 -12.478 27.461 20.441 1.00 0.00 C ATOM 848 C MET A 57 -11.665 26.812 21.557 1.00 0.00 C ATOM 849 O MET A 57 -10.865 25.910 21.310 1.00 0.00 O ATOM 850 CB MET A 57 -13.479 26.453 19.873 1.00 0.00 C ATOM 851 CG MET A 57 -14.341 27.017 18.754 1.00 0.00 C ATOM 852 SD MET A 57 -13.762 26.528 17.118 1.00 0.00 S ATOM 853 CE MET A 57 -14.881 25.178 16.753 1.00 0.00 C ATOM 0 H MET A 57 -11.664 27.440 18.509 1.00 0.00 H new ATOM 0 HA MET A 57 -13.022 28.309 20.857 1.00 0.00 H new ATOM 0 HB2 MET A 57 -12.936 25.585 19.500 1.00 0.00 H new ATOM 0 HB3 MET A 57 -14.126 26.103 20.677 1.00 0.00 H new ATOM 0 HG2 MET A 57 -15.369 26.680 18.887 1.00 0.00 H new ATOM 0 HG3 MET A 57 -14.351 28.105 18.821 1.00 0.00 H new ATOM 0 HE1 MET A 57 -14.306 24.289 16.493 1.00 0.00 H new ATOM 0 HE2 MET A 57 -15.497 24.969 17.628 1.00 0.00 H new ATOM 0 HE3 MET A 57 -15.522 25.453 15.916 1.00 0.00 H new ATOM 863 N ASP A 58 -11.874 27.278 22.783 1.00 0.00 N ATOM 864 CA ASP A 58 -11.160 26.743 23.936 1.00 0.00 C ATOM 865 C ASP A 58 -11.702 25.371 24.322 1.00 0.00 C ATOM 866 O ASP A 58 -10.940 24.427 24.529 1.00 0.00 O ATOM 867 CB ASP A 58 -11.272 27.702 25.123 1.00 0.00 C ATOM 868 CG ASP A 58 -12.712 28.003 25.489 1.00 0.00 C ATOM 869 OD1 ASP A 58 -13.300 28.921 24.879 1.00 0.00 O ATOM 870 OD2 ASP A 58 -13.252 27.321 26.384 1.00 0.00 O ATOM 0 H ASP A 58 -12.532 28.025 23.004 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.110 26.636 23.664 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.764 27.270 25.985 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.758 28.633 24.884 1.00 0.00 H new ATOM 875 N GLY A 59 -13.024 25.268 24.418 1.00 0.00 N ATOM 876 CA GLY A 59 -13.646 24.007 24.780 1.00 0.00 C ATOM 877 C GLY A 59 -15.159 24.089 24.792 1.00 0.00 C ATOM 878 O GLY A 59 -15.834 23.343 24.083 1.00 0.00 O ATOM 0 H GLY A 59 -13.676 26.035 24.252 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -13.333 23.236 24.076 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -13.294 23.702 25.765 1.00 0.00 H new ATOM 882 N ALA A 60 -15.695 24.998 25.600 1.00 0.00 N ATOM 883 CA ALA A 60 -17.138 25.175 25.701 1.00 0.00 C ATOM 884 C ALA A 60 -17.730 25.630 24.371 1.00 0.00 C ATOM 885 O ALA A 60 -18.870 25.301 24.042 1.00 0.00 O ATOM 886 CB ALA A 60 -17.471 26.175 26.799 1.00 0.00 C ATOM 0 H ALA A 60 -15.151 25.623 26.194 1.00 0.00 H new ATOM 0 HA ALA A 60 -17.581 24.212 25.955 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -18.552 26.298 26.864 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -17.090 25.809 27.752 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -17.010 27.135 26.568 1.00 0.00 H new ATOM 892 N THR A 61 -16.948 26.388 23.609 1.00 0.00 N ATOM 893 CA THR A 61 -17.395 26.889 22.316 1.00 0.00 C ATOM 894 C THR A 61 -17.448 25.771 21.281 1.00 0.00 C ATOM 895 O THR A 61 -18.267 25.800 20.362 1.00 0.00 O ATOM 896 CB THR A 61 -16.473 28.009 21.797 1.00 0.00 C ATOM 897 OG1 THR A 61 -16.388 29.060 22.766 1.00 0.00 O ATOM 898 CG2 THR A 61 -16.987 28.567 20.479 1.00 0.00 C ATOM 0 H THR A 61 -16.001 26.668 23.866 1.00 0.00 H new ATOM 0 HA THR A 61 -18.397 27.292 22.464 1.00 0.00 H new ATOM 0 HB THR A 61 -15.482 27.587 21.631 1.00 0.00 H new ATOM 0 HG1 THR A 61 -15.799 29.768 22.430 1.00 0.00 H new ATOM 0 HG21 THR A 61 -16.319 29.356 20.133 1.00 0.00 H new ATOM 0 HG22 THR A 61 -17.023 27.770 19.736 1.00 0.00 H new ATOM 0 HG23 THR A 61 -17.988 28.975 20.622 1.00 0.00 H new ATOM 906 N LEU A 62 -16.572 24.785 21.438 1.00 0.00 N ATOM 907 CA LEU A 62 -16.519 23.655 20.517 1.00 0.00 C ATOM 908 C LEU A 62 -17.802 22.833 20.589 1.00 0.00 C ATOM 909 O LEU A 62 -18.378 22.472 19.562 1.00 0.00 O ATOM 910 CB LEU A 62 -15.314 22.768 20.835 1.00 0.00 C ATOM 911 CG LEU A 62 -15.027 21.643 19.839 1.00 0.00 C ATOM 912 CD1 LEU A 62 -14.270 22.178 18.634 1.00 0.00 C ATOM 913 CD2 LEU A 62 -14.243 20.524 20.510 1.00 0.00 C ATOM 0 H LEU A 62 -15.889 24.745 22.194 1.00 0.00 H new ATOM 0 HA LEU A 62 -16.417 24.048 19.505 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -14.429 23.401 20.902 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -15.464 22.325 21.820 1.00 0.00 H new ATOM 0 HG LEU A 62 -15.978 21.237 19.494 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -14.075 21.364 17.936 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -14.868 22.944 18.140 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -13.324 22.610 18.961 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -14.048 19.732 19.787 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -13.297 20.916 20.883 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -14.822 20.122 21.341 1.00 0.00 H new ATOM 925 N CYS A 63 -18.246 22.544 21.807 1.00 0.00 N ATOM 926 CA CYS A 63 -19.463 21.767 22.013 1.00 0.00 C ATOM 927 C CYS A 63 -20.698 22.585 21.652 1.00 0.00 C ATOM 928 O CYS A 63 -21.734 22.034 21.282 1.00 0.00 O ATOM 929 CB CYS A 63 -19.553 21.298 23.466 1.00 0.00 C ATOM 930 SG CYS A 63 -19.029 19.587 23.723 1.00 0.00 S ATOM 0 H CYS A 63 -17.782 22.836 22.667 1.00 0.00 H new ATOM 0 HA CYS A 63 -19.424 20.896 21.359 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -18.940 21.952 24.086 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -20.582 21.407 23.809 1.00 0.00 H new ATOM 0 HG CYS A 63 -19.518 19.147 24.845 1.00 0.00 H new ATOM 936 N ASN A 64 -20.582 23.904 21.765 1.00 0.00 N ATOM 937 CA ASN A 64 -21.691 24.799 21.453 1.00 0.00 C ATOM 938 C ASN A 64 -21.776 25.056 19.952 1.00 0.00 C ATOM 939 O ASN A 64 -22.847 25.354 19.423 1.00 0.00 O ATOM 940 CB ASN A 64 -21.530 26.124 22.201 1.00 0.00 C ATOM 941 CG ASN A 64 -22.064 26.057 23.618 1.00 0.00 C ATOM 942 OD1 ASN A 64 -22.961 25.269 23.919 1.00 0.00 O ATOM 943 ND2 ASN A 64 -21.515 26.886 24.498 1.00 0.00 N ATOM 0 H ASN A 64 -19.731 24.377 22.070 1.00 0.00 H new ATOM 0 HA ASN A 64 -22.615 24.318 21.774 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -20.475 26.398 22.226 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -22.051 26.911 21.656 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -21.834 26.886 25.467 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -20.774 27.523 24.205 1.00 0.00 H new ATOM 950 N CYS A 65 -20.641 24.939 19.272 1.00 0.00 N ATOM 951 CA CYS A 65 -20.586 25.159 17.831 1.00 0.00 C ATOM 952 C CYS A 65 -21.641 24.323 17.113 1.00 0.00 C ATOM 953 O CYS A 65 -22.250 23.433 17.705 1.00 0.00 O ATOM 954 CB CYS A 65 -19.196 24.818 17.294 1.00 0.00 C ATOM 955 SG CYS A 65 -18.133 26.257 17.030 1.00 0.00 S ATOM 0 H CYS A 65 -19.746 24.693 19.695 1.00 0.00 H new ATOM 0 HA CYS A 65 -20.792 26.212 17.641 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -18.705 24.140 17.992 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -19.304 24.282 16.351 1.00 0.00 H new ATOM 0 HG CYS A 65 -17.620 26.204 15.837 1.00 0.00 H new ATOM 961 N ALA A 66 -21.852 24.618 15.834 1.00 0.00 N ATOM 962 CA ALA A 66 -22.833 23.893 15.036 1.00 0.00 C ATOM 963 C ALA A 66 -22.150 22.952 14.049 1.00 0.00 C ATOM 964 O ALA A 66 -20.983 23.140 13.702 1.00 0.00 O ATOM 965 CB ALA A 66 -23.737 24.869 14.298 1.00 0.00 C ATOM 0 H ALA A 66 -21.357 25.353 15.329 1.00 0.00 H new ATOM 0 HA ALA A 66 -23.441 23.291 15.711 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -24.465 24.314 13.706 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -24.259 25.498 15.019 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -23.135 25.495 13.639 1.00 0.00 H new ATOM 971 N LEU A 67 -22.884 21.940 13.601 1.00 0.00 N ATOM 972 CA LEU A 67 -22.348 20.968 12.654 1.00 0.00 C ATOM 973 C LEU A 67 -21.736 21.667 11.444 1.00 0.00 C ATOM 974 O LEU A 67 -20.544 21.526 11.172 1.00 0.00 O ATOM 975 CB LEU A 67 -23.450 20.008 12.199 1.00 0.00 C ATOM 976 CG LEU A 67 -23.153 19.193 10.941 1.00 0.00 C ATOM 977 CD1 LEU A 67 -21.818 18.476 11.072 1.00 0.00 C ATOM 978 CD2 LEU A 67 -24.272 18.197 10.674 1.00 0.00 C ATOM 0 H LEU A 67 -23.851 21.771 13.878 1.00 0.00 H new ATOM 0 HA LEU A 67 -21.565 20.401 13.158 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -23.661 19.316 13.014 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -24.359 20.585 12.028 1.00 0.00 H new ATOM 0 HG LEU A 67 -23.093 19.877 10.094 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -21.624 17.901 10.167 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -21.024 19.209 11.214 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -21.849 17.804 11.929 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -24.043 17.626 9.774 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -24.365 17.518 11.522 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -25.211 18.733 10.534 1.00 0.00 H new ATOM 990 N GLU A 68 -22.560 22.421 10.723 1.00 0.00 N ATOM 991 CA GLU A 68 -22.098 23.143 9.543 1.00 0.00 C ATOM 992 C GLU A 68 -20.862 23.978 9.866 1.00 0.00 C ATOM 993 O GLU A 68 -20.000 24.185 9.012 1.00 0.00 O ATOM 994 CB GLU A 68 -23.209 24.045 9.002 1.00 0.00 C ATOM 995 CG GLU A 68 -23.794 24.982 10.045 1.00 0.00 C ATOM 996 CD GLU A 68 -24.768 25.981 9.451 1.00 0.00 C ATOM 997 OE1 GLU A 68 -25.125 25.828 8.264 1.00 0.00 O ATOM 998 OE2 GLU A 68 -25.174 26.915 10.174 1.00 0.00 O ATOM 0 H GLU A 68 -23.550 22.548 10.935 1.00 0.00 H new ATOM 0 HA GLU A 68 -21.832 22.410 8.781 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -22.815 24.636 8.175 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -24.007 23.422 8.597 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -24.302 24.396 10.810 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -22.985 25.519 10.540 1.00 0.00 H new ATOM 1005 N GLU A 69 -20.784 24.456 11.104 1.00 0.00 N ATOM 1006 CA GLU A 69 -19.655 25.270 11.539 1.00 0.00 C ATOM 1007 C GLU A 69 -18.365 24.455 11.538 1.00 0.00 C ATOM 1008 O GLU A 69 -17.371 24.846 10.924 1.00 0.00 O ATOM 1009 CB GLU A 69 -19.913 25.835 12.937 1.00 0.00 C ATOM 1010 CG GLU A 69 -20.052 27.348 12.966 1.00 0.00 C ATOM 1011 CD GLU A 69 -20.130 27.900 14.376 1.00 0.00 C ATOM 1012 OE1 GLU A 69 -21.114 27.592 15.081 1.00 0.00 O ATOM 1013 OE2 GLU A 69 -19.206 28.639 14.775 1.00 0.00 O ATOM 0 H GLU A 69 -21.489 24.294 11.823 1.00 0.00 H new ATOM 0 HA GLU A 69 -19.544 26.096 10.837 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -20.822 25.387 13.339 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -19.095 25.541 13.595 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -19.203 27.797 12.451 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -20.948 27.637 12.417 1.00 0.00 H new ATOM 1020 N LEU A 70 -18.388 23.321 12.230 1.00 0.00 N ATOM 1021 CA LEU A 70 -17.220 22.450 12.311 1.00 0.00 C ATOM 1022 C LEU A 70 -16.757 22.031 10.919 1.00 0.00 C ATOM 1023 O LEU A 70 -15.584 21.722 10.712 1.00 0.00 O ATOM 1024 CB LEU A 70 -17.541 21.212 13.149 1.00 0.00 C ATOM 1025 CG LEU A 70 -18.172 21.472 14.517 1.00 0.00 C ATOM 1026 CD1 LEU A 70 -18.542 20.161 15.193 1.00 0.00 C ATOM 1027 CD2 LEU A 70 -17.227 22.279 15.396 1.00 0.00 C ATOM 0 H LEU A 70 -19.202 22.983 12.743 1.00 0.00 H new ATOM 0 HA LEU A 70 -16.414 23.006 12.790 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -18.214 20.575 12.576 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -16.619 20.650 13.297 1.00 0.00 H new ATOM 0 HG LEU A 70 -19.084 22.051 14.370 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -18.990 20.367 16.165 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -19.256 19.620 14.572 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -17.646 19.555 15.327 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -17.693 22.455 16.366 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -16.298 21.726 15.535 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -17.013 23.235 14.918 1.00 0.00 H new ATOM 1039 N ARG A 71 -17.686 22.025 9.969 1.00 0.00 N ATOM 1040 CA ARG A 71 -17.372 21.644 8.597 1.00 0.00 C ATOM 1041 C ARG A 71 -16.705 22.797 7.852 1.00 0.00 C ATOM 1042 O ARG A 71 -16.015 22.588 6.853 1.00 0.00 O ATOM 1043 CB ARG A 71 -18.643 21.215 7.861 1.00 0.00 C ATOM 1044 CG ARG A 71 -19.322 20.002 8.475 1.00 0.00 C ATOM 1045 CD ARG A 71 -20.735 19.824 7.940 1.00 0.00 C ATOM 1046 NE ARG A 71 -20.969 18.467 7.454 1.00 0.00 N ATOM 1047 CZ ARG A 71 -22.179 17.951 7.270 1.00 0.00 C ATOM 1048 NH1 ARG A 71 -23.259 18.675 7.529 1.00 0.00 N ATOM 1049 NH2 ARG A 71 -22.311 16.708 6.825 1.00 0.00 N ATOM 0 H ARG A 71 -18.662 22.279 10.124 1.00 0.00 H new ATOM 0 HA ARG A 71 -16.678 20.804 8.629 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -19.346 22.048 7.851 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -18.395 20.995 6.823 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -18.736 19.108 8.261 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -19.353 20.111 9.559 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -21.453 20.056 8.727 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -20.909 20.534 7.131 1.00 0.00 H new ATOM 0 HE ARG A 71 -20.159 17.884 7.244 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -23.162 19.631 7.871 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -24.187 18.276 7.387 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -21.483 16.148 6.624 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -23.241 16.313 6.684 1.00 0.00 H new ATOM 1063 N LEU A 72 -16.916 24.013 8.343 1.00 0.00 N ATOM 1064 CA LEU A 72 -16.335 25.199 7.725 1.00 0.00 C ATOM 1065 C LEU A 72 -14.995 25.547 8.365 1.00 0.00 C ATOM 1066 O LEU A 72 -14.208 26.311 7.806 1.00 0.00 O ATOM 1067 CB LEU A 72 -17.295 26.384 7.848 1.00 0.00 C ATOM 1068 CG LEU A 72 -18.146 26.690 6.615 1.00 0.00 C ATOM 1069 CD1 LEU A 72 -19.616 26.786 6.993 1.00 0.00 C ATOM 1070 CD2 LEU A 72 -17.679 27.976 5.950 1.00 0.00 C ATOM 0 H LEU A 72 -17.485 24.203 9.168 1.00 0.00 H new ATOM 0 HA LEU A 72 -16.167 24.983 6.670 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -17.963 26.198 8.689 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -16.714 27.273 8.093 1.00 0.00 H new ATOM 0 HG LEU A 72 -18.027 25.873 5.903 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -20.207 27.004 6.103 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -19.944 25.840 7.423 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -19.752 27.583 7.724 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -18.296 28.178 5.074 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -17.767 28.803 6.655 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -16.638 27.870 5.644 1.00 0.00 H new ATOM 1082 N VAL A 73 -14.740 24.978 9.539 1.00 0.00 N ATOM 1083 CA VAL A 73 -13.494 25.225 10.254 1.00 0.00 C ATOM 1084 C VAL A 73 -12.519 24.066 10.075 1.00 0.00 C ATOM 1085 O VAL A 73 -11.303 24.250 10.123 1.00 0.00 O ATOM 1086 CB VAL A 73 -13.743 25.444 11.758 1.00 0.00 C ATOM 1087 CG1 VAL A 73 -12.429 25.669 12.490 1.00 0.00 C ATOM 1088 CG2 VAL A 73 -14.691 26.614 11.975 1.00 0.00 C ATOM 0 H VAL A 73 -15.380 24.343 10.015 1.00 0.00 H new ATOM 0 HA VAL A 73 -13.060 26.131 9.830 1.00 0.00 H new ATOM 0 HB VAL A 73 -14.209 24.547 12.166 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -12.625 25.822 13.551 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.787 24.797 12.362 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.932 26.549 12.083 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -14.856 26.755 13.043 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -14.255 27.519 11.553 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -15.642 26.407 11.485 1.00 0.00 H new ATOM 1098 N PHE A 74 -13.062 22.871 9.867 1.00 0.00 N ATOM 1099 CA PHE A 74 -12.240 21.680 9.682 1.00 0.00 C ATOM 1100 C PHE A 74 -12.530 21.024 8.335 1.00 0.00 C ATOM 1101 O PHE A 74 -12.300 19.830 8.151 1.00 0.00 O ATOM 1102 CB PHE A 74 -12.490 20.680 10.813 1.00 0.00 C ATOM 1103 CG PHE A 74 -12.606 21.322 12.166 1.00 0.00 C ATOM 1104 CD1 PHE A 74 -11.553 22.053 12.692 1.00 0.00 C ATOM 1105 CD2 PHE A 74 -13.767 21.196 12.910 1.00 0.00 C ATOM 1106 CE1 PHE A 74 -11.656 22.644 13.937 1.00 0.00 C ATOM 1107 CE2 PHE A 74 -13.877 21.785 14.156 1.00 0.00 C ATOM 1108 CZ PHE A 74 -12.820 22.511 14.669 1.00 0.00 C ATOM 0 H PHE A 74 -14.067 22.701 9.822 1.00 0.00 H new ATOM 0 HA PHE A 74 -11.194 21.985 9.701 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -13.405 20.127 10.602 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -11.677 19.955 10.832 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -10.642 22.162 12.123 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -14.597 20.631 12.512 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -10.827 23.209 14.337 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -14.787 21.678 14.727 1.00 0.00 H new ATOM 0 HZ PHE A 74 -12.903 22.974 15.641 1.00 0.00 H new ATOM 1118 N GLY A 75 -13.037 21.816 7.394 1.00 0.00 N ATOM 1119 CA GLY A 75 -13.351 21.296 6.076 1.00 0.00 C ATOM 1120 C GLY A 75 -14.370 20.175 6.123 1.00 0.00 C ATOM 1121 O GLY A 75 -15.230 20.126 7.003 1.00 0.00 O ATOM 0 H GLY A 75 -13.236 22.808 7.521 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.733 22.104 5.451 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.438 20.933 5.605 1.00 0.00 H new ATOM 1125 N PRO A 76 -14.283 19.249 5.157 1.00 0.00 N ATOM 1126 CA PRO A 76 -15.198 18.108 5.069 1.00 0.00 C ATOM 1127 C PRO A 76 -14.976 17.099 6.191 1.00 0.00 C ATOM 1128 O PRO A 76 -15.740 16.145 6.342 1.00 0.00 O ATOM 1129 CB PRO A 76 -14.857 17.483 3.713 1.00 0.00 C ATOM 1130 CG PRO A 76 -13.446 17.885 3.455 1.00 0.00 C ATOM 1131 CD PRO A 76 -13.283 19.245 4.076 1.00 0.00 C ATOM 0 HA PRO A 76 -16.240 18.413 5.163 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -14.961 16.398 3.740 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -15.522 17.848 2.930 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -12.750 17.170 3.893 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -13.239 17.917 2.385 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -12.274 19.392 4.461 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -13.468 20.041 3.355 1.00 0.00 H new ATOM 1139 N LEU A 77 -13.926 17.316 6.975 1.00 0.00 N ATOM 1140 CA LEU A 77 -13.604 16.425 8.085 1.00 0.00 C ATOM 1141 C LEU A 77 -14.561 16.642 9.253 1.00 0.00 C ATOM 1142 O LEU A 77 -14.779 15.744 10.065 1.00 0.00 O ATOM 1143 CB LEU A 77 -12.162 16.651 8.544 1.00 0.00 C ATOM 1144 CG LEU A 77 -11.652 15.715 9.641 1.00 0.00 C ATOM 1145 CD1 LEU A 77 -11.884 14.263 9.254 1.00 0.00 C ATOM 1146 CD2 LEU A 77 -10.177 15.968 9.914 1.00 0.00 C ATOM 0 H LEU A 77 -13.283 18.100 6.863 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.712 15.398 7.737 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -11.507 16.554 7.678 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -12.072 17.678 8.899 1.00 0.00 H new ATOM 0 HG LEU A 77 -12.210 15.919 10.555 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.515 13.612 10.046 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.951 14.091 9.110 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -11.353 14.044 8.328 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -9.831 15.293 10.697 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.603 15.792 9.004 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.038 17.000 10.237 1.00 0.00 H new ATOM 1158 N GLY A 78 -15.132 17.840 9.329 1.00 0.00 N ATOM 1159 CA GLY A 78 -16.061 18.153 10.399 1.00 0.00 C ATOM 1160 C GLY A 78 -17.167 17.125 10.525 1.00 0.00 C ATOM 1161 O GLY A 78 -17.577 16.776 11.633 1.00 0.00 O ATOM 0 H GLY A 78 -14.968 18.600 8.668 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -15.517 18.215 11.342 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -16.500 19.134 10.219 1.00 0.00 H new ATOM 1165 N ASP A 79 -17.654 16.639 9.388 1.00 0.00 N ATOM 1166 CA ASP A 79 -18.720 15.645 9.376 1.00 0.00 C ATOM 1167 C ASP A 79 -18.357 14.447 10.247 1.00 0.00 C ATOM 1168 O ASP A 79 -19.233 13.779 10.795 1.00 0.00 O ATOM 1169 CB ASP A 79 -19.000 15.184 7.944 1.00 0.00 C ATOM 1170 CG ASP A 79 -20.217 14.284 7.853 1.00 0.00 C ATOM 1171 OD1 ASP A 79 -21.246 14.611 8.481 1.00 0.00 O ATOM 1172 OD2 ASP A 79 -20.140 13.253 7.154 1.00 0.00 O ATOM 0 H ASP A 79 -17.327 16.918 8.463 1.00 0.00 H new ATOM 0 HA ASP A 79 -19.619 16.108 9.783 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -19.148 16.056 7.307 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -18.129 14.653 7.560 1.00 0.00 H new ATOM 1177 N GLN A 80 -17.060 14.182 10.369 1.00 0.00 N ATOM 1178 CA GLN A 80 -16.582 13.063 11.172 1.00 0.00 C ATOM 1179 C GLN A 80 -16.335 13.494 12.614 1.00 0.00 C ATOM 1180 O GLN A 80 -16.675 12.775 13.555 1.00 0.00 O ATOM 1181 CB GLN A 80 -15.297 12.489 10.571 1.00 0.00 C ATOM 1182 CG GLN A 80 -15.521 11.719 9.280 1.00 0.00 C ATOM 1183 CD GLN A 80 -16.618 10.680 9.402 1.00 0.00 C ATOM 1184 OE1 GLN A 80 -16.523 9.751 10.205 1.00 0.00 O ATOM 1185 NE2 GLN A 80 -17.669 10.832 8.604 1.00 0.00 N ATOM 0 H GLN A 80 -16.322 14.727 9.922 1.00 0.00 H new ATOM 0 HA GLN A 80 -17.352 12.292 11.170 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -14.599 13.304 10.382 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -14.827 11.830 11.301 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -15.776 12.419 8.484 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -14.592 11.229 8.988 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -17.706 11.617 7.953 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -18.439 10.164 8.642 1.00 0.00 H new ATOM 1194 N LEU A 81 -15.741 14.670 12.781 1.00 0.00 N ATOM 1195 CA LEU A 81 -15.448 15.198 14.109 1.00 0.00 C ATOM 1196 C LEU A 81 -16.729 15.382 14.916 1.00 0.00 C ATOM 1197 O LEU A 81 -16.796 15.007 16.088 1.00 0.00 O ATOM 1198 CB LEU A 81 -14.706 16.531 13.997 1.00 0.00 C ATOM 1199 CG LEU A 81 -13.403 16.509 13.197 1.00 0.00 C ATOM 1200 CD1 LEU A 81 -12.906 17.924 12.947 1.00 0.00 C ATOM 1201 CD2 LEU A 81 -12.345 15.690 13.922 1.00 0.00 C ATOM 0 H LEU A 81 -15.453 15.276 12.013 1.00 0.00 H new ATOM 0 HA LEU A 81 -14.814 14.479 14.628 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -15.376 17.260 13.541 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -14.485 16.887 15.003 1.00 0.00 H new ATOM 0 HG LEU A 81 -13.599 16.039 12.233 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.978 17.888 12.376 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -13.657 18.479 12.384 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.727 18.420 13.901 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.425 15.686 13.338 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.152 16.130 14.900 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -12.700 14.667 14.048 1.00 0.00 H new ATOM 1213 N HIS A 82 -17.745 15.959 14.282 1.00 0.00 N ATOM 1214 CA HIS A 82 -19.025 16.190 14.941 1.00 0.00 C ATOM 1215 C HIS A 82 -19.548 14.907 15.579 1.00 0.00 C ATOM 1216 O HIS A 82 -19.904 14.888 16.757 1.00 0.00 O ATOM 1217 CB HIS A 82 -20.048 16.729 13.940 1.00 0.00 C ATOM 1218 CG HIS A 82 -21.358 17.099 14.564 1.00 0.00 C ATOM 1219 ND1 HIS A 82 -22.513 16.370 14.376 1.00 0.00 N ATOM 1220 CD2 HIS A 82 -21.693 18.128 15.377 1.00 0.00 C ATOM 1221 CE1 HIS A 82 -23.502 16.935 15.046 1.00 0.00 C ATOM 1222 NE2 HIS A 82 -23.030 18.004 15.662 1.00 0.00 N ATOM 0 H HIS A 82 -17.706 16.275 13.313 1.00 0.00 H new ATOM 0 HA HIS A 82 -18.872 16.929 15.727 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -19.631 17.605 13.443 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -20.221 15.978 13.170 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -21.031 18.903 15.735 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -24.522 16.583 15.084 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -23.571 18.635 16.253 1.00 0.00 H new ATOM 1230 N ALA A 83 -19.591 13.836 14.793 1.00 0.00 N ATOM 1231 CA ALA A 83 -20.069 12.548 15.281 1.00 0.00 C ATOM 1232 C ALA A 83 -19.337 12.138 16.554 1.00 0.00 C ATOM 1233 O ALA A 83 -19.918 11.513 17.440 1.00 0.00 O ATOM 1234 CB ALA A 83 -19.903 11.483 14.208 1.00 0.00 C ATOM 0 H ALA A 83 -19.300 13.835 13.815 1.00 0.00 H new ATOM 0 HA ALA A 83 -21.128 12.647 15.518 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -20.264 10.526 14.586 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -20.477 11.764 13.325 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -18.849 11.394 13.943 1.00 0.00 H new ATOM 1240 N GLN A 84 -18.059 12.495 16.638 1.00 0.00 N ATOM 1241 CA GLN A 84 -17.248 12.162 17.803 1.00 0.00 C ATOM 1242 C GLN A 84 -17.606 13.053 18.988 1.00 0.00 C ATOM 1243 O GLN A 84 -17.892 12.564 20.082 1.00 0.00 O ATOM 1244 CB GLN A 84 -15.761 12.303 17.473 1.00 0.00 C ATOM 1245 CG GLN A 84 -15.189 11.114 16.718 1.00 0.00 C ATOM 1246 CD GLN A 84 -14.153 10.356 17.523 1.00 0.00 C ATOM 1247 OE1 GLN A 84 -13.105 10.898 17.875 1.00 0.00 O ATOM 1248 NE2 GLN A 84 -14.440 9.094 17.819 1.00 0.00 N ATOM 0 H GLN A 84 -17.563 13.015 15.913 1.00 0.00 H new ATOM 0 HA GLN A 84 -17.455 11.127 18.075 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -15.613 13.205 16.879 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -15.203 12.437 18.400 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -15.999 10.437 16.446 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -14.738 11.461 15.788 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -15.321 8.685 17.507 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -13.780 8.534 18.358 1.00 0.00 H new ATOM 1257 N LEU A 85 -17.587 14.362 18.764 1.00 0.00 N ATOM 1258 CA LEU A 85 -17.909 15.323 19.813 1.00 0.00 C ATOM 1259 C LEU A 85 -19.297 15.058 20.386 1.00 0.00 C ATOM 1260 O LEU A 85 -19.577 15.387 21.539 1.00 0.00 O ATOM 1261 CB LEU A 85 -17.833 16.749 19.267 1.00 0.00 C ATOM 1262 CG LEU A 85 -16.464 17.425 19.342 1.00 0.00 C ATOM 1263 CD1 LEU A 85 -16.455 18.706 18.522 1.00 0.00 C ATOM 1264 CD2 LEU A 85 -16.090 17.714 20.789 1.00 0.00 C ATOM 0 H LEU A 85 -17.352 14.783 17.865 1.00 0.00 H new ATOM 0 HA LEU A 85 -17.178 15.209 20.613 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -18.152 16.735 18.225 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -18.550 17.364 19.812 1.00 0.00 H new ATOM 0 HG LEU A 85 -15.722 16.745 18.924 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -15.472 19.173 18.588 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -16.677 18.473 17.481 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -17.209 19.391 18.909 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -15.113 18.195 20.823 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -16.835 18.374 21.232 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -16.054 16.780 21.349 1.00 0.00 H new ATOM 1276 N ARG A 86 -20.163 14.460 19.574 1.00 0.00 N ATOM 1277 CA ARG A 86 -21.522 14.151 20.000 1.00 0.00 C ATOM 1278 C ARG A 86 -21.533 12.974 20.972 1.00 0.00 C ATOM 1279 O ARG A 86 -22.435 12.847 21.799 1.00 0.00 O ATOM 1280 CB ARG A 86 -22.400 13.832 18.788 1.00 0.00 C ATOM 1281 CG ARG A 86 -22.982 15.066 18.117 1.00 0.00 C ATOM 1282 CD ARG A 86 -24.457 14.881 17.797 1.00 0.00 C ATOM 1283 NE ARG A 86 -25.317 15.517 18.791 1.00 0.00 N ATOM 1284 CZ ARG A 86 -26.643 15.536 18.712 1.00 0.00 C ATOM 1285 NH1 ARG A 86 -27.258 14.956 17.690 1.00 0.00 N ATOM 1286 NH2 ARG A 86 -27.357 16.135 19.656 1.00 0.00 N ATOM 0 H ARG A 86 -19.947 14.180 18.617 1.00 0.00 H new ATOM 0 HA ARG A 86 -21.923 15.027 20.511 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -21.810 13.276 18.059 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -23.216 13.181 19.102 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -22.855 15.930 18.769 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -22.433 15.276 17.199 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -24.670 15.299 16.813 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -24.686 13.817 17.747 1.00 0.00 H new ATOM 0 HE ARG A 86 -24.875 15.972 19.590 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -26.713 14.494 16.962 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -28.276 14.972 17.632 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -26.888 16.582 20.444 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -28.375 16.149 19.594 1.00 0.00 H new ATOM 1300 N ASP A 87 -20.524 12.116 20.864 1.00 0.00 N ATOM 1301 CA ASP A 87 -20.416 10.950 21.733 1.00 0.00 C ATOM 1302 C ASP A 87 -19.715 11.309 23.040 1.00 0.00 C ATOM 1303 O ASP A 87 -20.093 10.833 24.111 1.00 0.00 O ATOM 1304 CB ASP A 87 -19.658 9.827 21.024 1.00 0.00 C ATOM 1305 CG ASP A 87 -20.553 8.655 20.674 1.00 0.00 C ATOM 1306 OD1 ASP A 87 -21.406 8.808 19.776 1.00 0.00 O ATOM 1307 OD2 ASP A 87 -20.400 7.584 21.299 1.00 0.00 O ATOM 0 H ASP A 87 -19.770 12.206 20.183 1.00 0.00 H new ATOM 0 HA ASP A 87 -21.424 10.606 21.965 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -19.204 10.218 20.114 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -18.845 9.482 21.663 1.00 0.00 H new ATOM 1312 N LEU A 88 -18.691 12.150 22.944 1.00 0.00 N ATOM 1313 CA LEU A 88 -17.935 12.572 24.118 1.00 0.00 C ATOM 1314 C LEU A 88 -18.865 13.117 25.197 1.00 0.00 C ATOM 1315 O LEU A 88 -18.662 12.876 26.387 1.00 0.00 O ATOM 1316 CB LEU A 88 -16.905 13.635 23.731 1.00 0.00 C ATOM 1317 CG LEU A 88 -15.696 13.140 22.937 1.00 0.00 C ATOM 1318 CD1 LEU A 88 -15.046 14.290 22.182 1.00 0.00 C ATOM 1319 CD2 LEU A 88 -14.689 12.471 23.861 1.00 0.00 C ATOM 0 H LEU A 88 -18.365 12.553 22.065 1.00 0.00 H new ATOM 0 HA LEU A 88 -17.416 11.701 24.518 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -17.409 14.404 23.146 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -16.545 14.112 24.642 1.00 0.00 H new ATOM 0 HG LEU A 88 -16.039 12.403 22.211 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -14.187 13.919 21.623 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -15.768 14.726 21.491 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -14.717 15.050 22.890 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -13.835 12.125 23.279 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -14.351 13.187 24.610 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -15.159 11.621 24.357 1.00 0.00 H new