USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=15 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 57 MET CE :methyl 159:sc= -0.323 (180deg=-1.47) USER MOD Set 1.2: A 65 CYS SG : rot -52:sc= -0.304 USER MOD Set 2.1: A 25 GLN : amide:sc= -0.116 K(o=-0.3,f=-1.5) USER MOD Set 2.2: A 63 CYS SG : rot -18:sc= 0.311 USER MOD Set 2.3: A 64 ASN : amide:sc= -0.498 K(o=-0.3,f=-1.5) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -2.01 K(o=-2,f=-3.2!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -2.85! C(o=-2.8!,f=-7.9!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN :FLIP amide:sc= -0.52 F(o=-1.5,f=-0.52) USER MOD Single : A 44 LYS NZ :NH3+ 175:sc= -0.0206 (180deg=-0.0649) USER MOD Single : A 45 TYR OH : rot -30:sc= -0.768 USER MOD Single : A 48 SER OG : rot 65:sc= 0.496 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 14:sc= -0.0434 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -0.325 X(o=-0.33,f=-0.33) USER MOD Single : A 82 HIS : no HD1:sc= -0.327 X(o=-0.33,f=-0.33) USER MOD Single : A 84 GLN : amide:sc= -0.157 K(o=-0.16,f=-0.81) USER MOD ----------------------------------------------------------------- ATOM 203 N ALA A 17 -4.476 11.063 26.783 1.00 0.00 N ATOM 204 CA ALA A 17 -4.772 12.257 26.001 1.00 0.00 C ATOM 205 C ALA A 17 -5.196 13.412 26.902 1.00 0.00 C ATOM 206 O ALA A 17 -5.942 13.220 27.863 1.00 0.00 O ATOM 207 CB ALA A 17 -5.855 11.960 24.975 1.00 0.00 C ATOM 0 HA ALA A 17 -3.863 12.554 25.478 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.066 12.860 24.398 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.515 11.171 24.305 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.761 11.636 25.486 1.00 0.00 H new ATOM 213 N SER A 18 -4.717 14.610 26.586 1.00 0.00 N ATOM 214 CA SER A 18 -5.043 15.796 27.370 1.00 0.00 C ATOM 215 C SER A 18 -6.542 16.075 27.333 1.00 0.00 C ATOM 216 O SER A 18 -7.069 16.809 28.170 1.00 0.00 O ATOM 217 CB SER A 18 -4.273 17.009 26.844 1.00 0.00 C ATOM 218 OG SER A 18 -4.271 18.061 27.793 1.00 0.00 O ATOM 0 H SER A 18 -4.101 14.786 25.792 1.00 0.00 H new ATOM 0 HA SER A 18 -4.751 15.610 28.404 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.247 16.721 26.613 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.724 17.355 25.914 1.00 0.00 H new ATOM 0 HG SER A 18 -3.772 18.824 27.434 1.00 0.00 H new ATOM 224 N TRP A 19 -7.224 15.486 26.357 1.00 0.00 N ATOM 225 CA TRP A 19 -8.663 15.671 26.210 1.00 0.00 C ATOM 226 C TRP A 19 -9.414 14.389 26.551 1.00 0.00 C ATOM 227 O TRP A 19 -10.582 14.229 26.195 1.00 0.00 O ATOM 228 CB TRP A 19 -8.998 16.109 24.783 1.00 0.00 C ATOM 229 CG TRP A 19 -8.273 15.322 23.734 1.00 0.00 C ATOM 230 CD1 TRP A 19 -7.078 15.636 23.153 1.00 0.00 C ATOM 231 CD2 TRP A 19 -8.698 14.090 23.141 1.00 0.00 C ATOM 232 NE1 TRP A 19 -6.734 14.674 22.234 1.00 0.00 N ATOM 233 CE2 TRP A 19 -7.711 13.714 22.209 1.00 0.00 C ATOM 234 CE3 TRP A 19 -9.814 13.266 23.309 1.00 0.00 C ATOM 235 CZ2 TRP A 19 -7.810 12.553 21.448 1.00 0.00 C ATOM 236 CZ3 TRP A 19 -9.911 12.114 22.552 1.00 0.00 C ATOM 237 CH2 TRP A 19 -8.914 11.765 21.632 1.00 0.00 C ATOM 0 H TRP A 19 -6.803 14.876 25.656 1.00 0.00 H new ATOM 0 HA TRP A 19 -8.977 16.450 26.905 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -10.072 16.011 24.623 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -8.754 17.165 24.668 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -6.489 16.512 23.382 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -5.889 14.675 21.663 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -10.587 13.525 24.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -7.043 12.283 20.737 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -10.771 11.471 22.672 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -9.018 10.857 21.057 1.00 0.00 H new ATOM 248 N LEU A 20 -8.738 13.478 27.243 1.00 0.00 N ATOM 249 CA LEU A 20 -9.343 12.209 27.633 1.00 0.00 C ATOM 250 C LEU A 20 -9.643 12.186 29.128 1.00 0.00 C ATOM 251 O LEU A 20 -8.744 12.335 29.955 1.00 0.00 O ATOM 252 CB LEU A 20 -8.418 11.047 27.268 1.00 0.00 C ATOM 253 CG LEU A 20 -8.879 10.160 26.111 1.00 0.00 C ATOM 254 CD1 LEU A 20 -7.887 9.032 25.876 1.00 0.00 C ATOM 255 CD2 LEU A 20 -10.268 9.602 26.388 1.00 0.00 C ATOM 0 H LEU A 20 -7.771 13.595 27.545 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.283 12.101 27.091 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -7.438 11.454 27.019 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -8.289 10.421 28.151 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.927 10.769 25.208 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.231 8.411 25.049 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.911 9.451 25.633 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.807 8.424 26.777 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -10.580 8.973 25.554 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -10.246 9.008 27.302 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -10.974 10.424 26.506 1.00 0.00 H new ATOM 267 N GLY A 21 -10.914 11.995 29.469 1.00 0.00 N ATOM 268 CA GLY A 21 -11.309 11.953 30.865 1.00 0.00 C ATOM 269 C GLY A 21 -12.184 13.128 31.256 1.00 0.00 C ATOM 270 O GLY A 21 -12.881 13.080 32.269 1.00 0.00 O ATOM 0 H GLY A 21 -11.677 11.869 28.804 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -11.845 11.024 31.060 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -10.417 11.944 31.492 1.00 0.00 H new ATOM 274 N GLU A 22 -12.146 14.185 30.451 1.00 0.00 N ATOM 275 CA GLU A 22 -12.939 15.378 30.721 1.00 0.00 C ATOM 276 C GLU A 22 -13.877 15.683 29.556 1.00 0.00 C ATOM 277 O GLU A 22 -13.523 15.484 28.394 1.00 0.00 O ATOM 278 CB GLU A 22 -12.025 16.578 30.981 1.00 0.00 C ATOM 279 CG GLU A 22 -12.740 17.762 31.610 1.00 0.00 C ATOM 280 CD GLU A 22 -13.238 17.466 33.012 1.00 0.00 C ATOM 281 OE1 GLU A 22 -12.617 16.626 33.696 1.00 0.00 O ATOM 282 OE2 GLU A 22 -14.247 18.074 33.424 1.00 0.00 O ATOM 0 H GLU A 22 -11.575 14.239 29.607 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.540 15.189 31.610 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.209 16.268 31.634 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.577 16.894 30.039 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.063 18.615 31.642 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.584 18.048 30.982 1.00 0.00 H new ATOM 289 N GLN A 23 -15.073 16.165 29.877 1.00 0.00 N ATOM 290 CA GLN A 23 -16.062 16.496 28.857 1.00 0.00 C ATOM 291 C GLN A 23 -15.528 17.563 27.907 1.00 0.00 C ATOM 292 O GLN A 23 -14.584 18.289 28.218 1.00 0.00 O ATOM 293 CB GLN A 23 -17.357 16.979 29.511 1.00 0.00 C ATOM 294 CG GLN A 23 -18.332 15.858 29.831 1.00 0.00 C ATOM 295 CD GLN A 23 -19.613 16.362 30.467 1.00 0.00 C ATOM 296 OE1 GLN A 23 -19.701 17.519 30.880 1.00 0.00 O ATOM 297 NE2 GLN A 23 -20.616 15.495 30.548 1.00 0.00 N ATOM 0 H GLN A 23 -15.381 16.335 30.834 1.00 0.00 H new ATOM 0 HA GLN A 23 -16.269 15.594 28.281 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -17.113 17.511 30.431 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -17.844 17.695 28.848 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -18.573 15.319 28.915 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -17.853 15.146 30.503 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -20.500 14.546 30.193 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -21.503 15.778 30.965 1.00 0.00 H new ATOM 306 N PRO A 24 -16.146 17.662 26.721 1.00 0.00 N ATOM 307 CA PRO A 24 -15.750 18.638 25.701 1.00 0.00 C ATOM 308 C PRO A 24 -16.087 20.068 26.106 1.00 0.00 C ATOM 309 O PRO A 24 -15.683 21.022 25.442 1.00 0.00 O ATOM 310 CB PRO A 24 -16.568 18.222 24.476 1.00 0.00 C ATOM 311 CG PRO A 24 -17.755 17.517 25.034 1.00 0.00 C ATOM 312 CD PRO A 24 -17.278 16.829 26.283 1.00 0.00 C ATOM 0 HA PRO A 24 -14.673 18.637 25.532 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -16.864 19.089 23.885 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -15.993 17.570 23.819 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -18.557 18.220 25.258 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -18.153 16.797 24.319 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -18.060 16.784 27.041 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -16.968 15.803 26.083 1.00 0.00 H new ATOM 320 N GLN A 25 -16.829 20.210 27.200 1.00 0.00 N ATOM 321 CA GLN A 25 -17.221 21.525 27.693 1.00 0.00 C ATOM 322 C GLN A 25 -16.125 22.127 28.566 1.00 0.00 C ATOM 323 O GLN A 25 -16.043 23.345 28.726 1.00 0.00 O ATOM 324 CB GLN A 25 -18.526 21.429 28.484 1.00 0.00 C ATOM 325 CG GLN A 25 -19.589 20.582 27.804 1.00 0.00 C ATOM 326 CD GLN A 25 -20.942 21.265 27.765 1.00 0.00 C ATOM 327 OE1 GLN A 25 -21.041 22.455 27.465 1.00 0.00 O ATOM 328 NE2 GLN A 25 -21.994 20.513 28.068 1.00 0.00 N ATOM 0 H GLN A 25 -17.171 19.430 27.762 1.00 0.00 H new ATOM 0 HA GLN A 25 -17.374 22.177 26.833 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -18.315 21.011 29.468 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -18.920 22.433 28.642 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -19.271 20.355 26.786 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -19.681 19.631 28.329 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -21.866 19.531 28.311 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -22.930 20.918 28.058 1.00 0.00 H new ATOM 337 N PHE A 26 -15.285 21.266 29.130 1.00 0.00 N ATOM 338 CA PHE A 26 -14.194 21.713 29.989 1.00 0.00 C ATOM 339 C PHE A 26 -12.842 21.450 29.333 1.00 0.00 C ATOM 340 O PHE A 26 -11.926 20.923 29.964 1.00 0.00 O ATOM 341 CB PHE A 26 -14.262 21.005 31.345 1.00 0.00 C ATOM 342 CG PHE A 26 -15.588 21.157 32.034 1.00 0.00 C ATOM 343 CD1 PHE A 26 -16.637 20.301 31.743 1.00 0.00 C ATOM 344 CD2 PHE A 26 -15.784 22.156 32.974 1.00 0.00 C ATOM 345 CE1 PHE A 26 -17.858 20.439 32.376 1.00 0.00 C ATOM 346 CE2 PHE A 26 -17.003 22.299 33.611 1.00 0.00 C ATOM 347 CZ PHE A 26 -18.041 21.438 33.312 1.00 0.00 C ATOM 0 H PHE A 26 -15.338 20.255 29.008 1.00 0.00 H new ATOM 0 HA PHE A 26 -14.301 22.787 30.141 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -14.055 19.944 31.203 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -13.478 21.399 31.992 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -16.500 19.517 31.013 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -14.975 22.831 33.212 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -18.669 19.766 32.139 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -17.143 23.082 34.341 1.00 0.00 H new ATOM 0 HZ PHE A 26 -18.994 21.546 33.809 1.00 0.00 H new ATOM 357 N TRP A 27 -12.726 21.821 28.063 1.00 0.00 N ATOM 358 CA TRP A 27 -11.486 21.625 27.320 1.00 0.00 C ATOM 359 C TRP A 27 -10.666 22.910 27.282 1.00 0.00 C ATOM 360 O TRP A 27 -11.183 23.995 27.547 1.00 0.00 O ATOM 361 CB TRP A 27 -11.790 21.157 25.896 1.00 0.00 C ATOM 362 CG TRP A 27 -12.011 19.678 25.791 1.00 0.00 C ATOM 363 CD1 TRP A 27 -12.091 18.786 26.823 1.00 0.00 C ATOM 364 CD2 TRP A 27 -12.177 18.919 24.589 1.00 0.00 C ATOM 365 NE1 TRP A 27 -12.298 17.519 26.334 1.00 0.00 N ATOM 366 CE2 TRP A 27 -12.355 17.574 24.966 1.00 0.00 C ATOM 367 CE3 TRP A 27 -12.195 19.245 23.230 1.00 0.00 C ATOM 368 CZ2 TRP A 27 -12.546 16.558 24.033 1.00 0.00 C ATOM 369 CZ3 TRP A 27 -12.385 18.236 22.305 1.00 0.00 C ATOM 370 CH2 TRP A 27 -12.559 16.906 22.710 1.00 0.00 C ATOM 0 H TRP A 27 -13.475 22.259 27.526 1.00 0.00 H new ATOM 0 HA TRP A 27 -10.902 20.859 27.830 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -12.677 21.676 25.532 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -10.964 21.441 25.244 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -12.004 19.040 27.869 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -12.394 16.674 26.898 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -12.063 20.267 22.908 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -12.679 15.532 24.343 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -12.400 18.477 21.252 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -12.706 16.140 21.963 1.00 0.00 H new ATOM 381 N SER A 28 -9.385 22.779 26.951 1.00 0.00 N ATOM 382 CA SER A 28 -8.493 23.930 26.882 1.00 0.00 C ATOM 383 C SER A 28 -8.139 24.257 25.434 1.00 0.00 C ATOM 384 O SER A 28 -8.331 23.438 24.535 1.00 0.00 O ATOM 385 CB SER A 28 -7.217 23.662 27.683 1.00 0.00 C ATOM 386 OG SER A 28 -7.273 24.284 28.955 1.00 0.00 O ATOM 0 H SER A 28 -8.942 21.888 26.727 1.00 0.00 H new ATOM 0 HA SER A 28 -9.011 24.786 27.313 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.080 22.588 27.806 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.353 24.033 27.131 1.00 0.00 H new ATOM 0 HG SER A 28 -6.447 24.096 29.448 1.00 0.00 H new ATOM 392 N LYS A 29 -7.619 25.460 25.216 1.00 0.00 N ATOM 393 CA LYS A 29 -7.236 25.898 23.879 1.00 0.00 C ATOM 394 C LYS A 29 -6.264 24.911 23.241 1.00 0.00 C ATOM 395 O LYS A 29 -6.189 24.799 22.017 1.00 0.00 O ATOM 396 CB LYS A 29 -6.602 27.289 23.937 1.00 0.00 C ATOM 397 CG LYS A 29 -7.580 28.388 24.317 1.00 0.00 C ATOM 398 CD LYS A 29 -6.885 29.525 25.047 1.00 0.00 C ATOM 399 CE LYS A 29 -7.752 30.774 25.086 1.00 0.00 C ATOM 400 NZ LYS A 29 -7.427 31.638 26.255 1.00 0.00 N ATOM 0 H LYS A 29 -7.453 26.150 25.949 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.137 25.942 23.267 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.784 27.277 24.658 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.167 27.522 22.965 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.063 28.773 23.419 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.365 27.975 24.950 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.647 29.214 26.064 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.940 29.752 24.554 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.614 31.341 24.166 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.802 30.486 25.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.039 32.479 26.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.583 31.105 27.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.431 31.934 26.202 1.00 0.00 H new ATOM 414 N THR A 30 -5.520 24.194 24.079 1.00 0.00 N ATOM 415 CA THR A 30 -4.553 23.216 23.597 1.00 0.00 C ATOM 416 C THR A 30 -5.217 21.870 23.333 1.00 0.00 C ATOM 417 O THR A 30 -4.946 21.223 22.322 1.00 0.00 O ATOM 418 CB THR A 30 -3.404 23.020 24.604 1.00 0.00 C ATOM 419 OG1 THR A 30 -3.125 24.253 25.276 1.00 0.00 O ATOM 420 CG2 THR A 30 -2.148 22.524 23.902 1.00 0.00 C ATOM 0 H THR A 30 -5.569 24.273 25.095 1.00 0.00 H new ATOM 0 HA THR A 30 -4.147 23.606 22.664 1.00 0.00 H new ATOM 0 HB THR A 30 -3.714 22.272 25.333 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.395 24.119 25.915 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.350 22.393 24.633 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.355 21.571 23.416 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.838 23.253 23.153 1.00 0.00 H new ATOM 428 N GLN A 31 -6.088 21.455 24.247 1.00 0.00 N ATOM 429 CA GLN A 31 -6.791 20.185 24.112 1.00 0.00 C ATOM 430 C GLN A 31 -7.560 20.126 22.796 1.00 0.00 C ATOM 431 O GLN A 31 -7.556 19.105 22.108 1.00 0.00 O ATOM 432 CB GLN A 31 -7.749 19.980 25.286 1.00 0.00 C ATOM 433 CG GLN A 31 -7.068 20.031 26.644 1.00 0.00 C ATOM 434 CD GLN A 31 -8.047 19.903 27.794 1.00 0.00 C ATOM 435 OE1 GLN A 31 -7.976 20.649 28.771 1.00 0.00 O ATOM 436 NE2 GLN A 31 -8.969 18.954 27.683 1.00 0.00 N ATOM 0 H GLN A 31 -6.324 21.980 25.089 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.049 19.386 24.115 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.525 20.745 25.249 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.246 19.016 25.174 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.332 19.229 26.707 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.524 20.971 26.738 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -8.991 18.358 26.855 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -9.656 18.821 28.425 1.00 0.00 H new ATOM 445 N VAL A 32 -8.219 21.228 22.452 1.00 0.00 N ATOM 446 CA VAL A 32 -8.993 21.302 21.218 1.00 0.00 C ATOM 447 C VAL A 32 -8.126 20.981 20.006 1.00 0.00 C ATOM 448 O VAL A 32 -8.314 19.957 19.348 1.00 0.00 O ATOM 449 CB VAL A 32 -9.620 22.696 21.032 1.00 0.00 C ATOM 450 CG1 VAL A 32 -10.398 22.762 19.726 1.00 0.00 C ATOM 451 CG2 VAL A 32 -10.516 23.039 22.213 1.00 0.00 C ATOM 0 H VAL A 32 -8.232 22.082 23.010 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.789 20.562 21.298 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.818 23.433 20.987 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -10.834 23.755 19.612 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -9.726 22.563 18.892 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -11.193 22.016 19.738 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -10.951 24.028 22.065 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -11.313 22.300 22.291 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.927 23.036 23.130 1.00 0.00 H new ATOM 461 N LEU A 33 -7.175 21.862 19.716 1.00 0.00 N ATOM 462 CA LEU A 33 -6.277 21.673 18.582 1.00 0.00 C ATOM 463 C LEU A 33 -5.551 20.335 18.679 1.00 0.00 C ATOM 464 O LEU A 33 -5.141 19.765 17.668 1.00 0.00 O ATOM 465 CB LEU A 33 -5.260 22.814 18.516 1.00 0.00 C ATOM 466 CG LEU A 33 -5.833 24.211 18.277 1.00 0.00 C ATOM 467 CD1 LEU A 33 -4.857 25.277 18.750 1.00 0.00 C ATOM 468 CD2 LEU A 33 -6.166 24.406 16.805 1.00 0.00 C ATOM 0 H LEU A 33 -7.006 22.714 20.250 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.876 21.675 17.672 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.699 22.828 19.450 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.548 22.594 17.720 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.753 24.309 18.853 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.282 26.265 18.572 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.668 25.150 19.816 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.920 25.181 18.202 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.573 25.406 16.653 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.261 24.288 16.209 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.903 23.664 16.497 1.00 0.00 H new ATOM 480 N ASP A 34 -5.398 19.838 19.902 1.00 0.00 N ATOM 481 CA ASP A 34 -4.725 18.565 20.132 1.00 0.00 C ATOM 482 C ASP A 34 -5.641 17.395 19.784 1.00 0.00 C ATOM 483 O ASP A 34 -5.174 16.308 19.445 1.00 0.00 O ATOM 484 CB ASP A 34 -4.273 18.458 21.589 1.00 0.00 C ATOM 485 CG ASP A 34 -2.938 19.136 21.832 1.00 0.00 C ATOM 486 OD1 ASP A 34 -2.370 19.688 20.867 1.00 0.00 O ATOM 487 OD2 ASP A 34 -2.462 19.113 22.986 1.00 0.00 O ATOM 0 H ASP A 34 -5.731 20.298 20.749 1.00 0.00 H new ATOM 0 HA ASP A 34 -3.849 18.523 19.484 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -5.028 18.907 22.235 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.199 17.407 21.867 1.00 0.00 H new ATOM 492 N TRP A 35 -6.946 17.627 19.871 1.00 0.00 N ATOM 493 CA TRP A 35 -7.927 16.591 19.566 1.00 0.00 C ATOM 494 C TRP A 35 -8.112 16.443 18.060 1.00 0.00 C ATOM 495 O TRP A 35 -8.328 15.339 17.558 1.00 0.00 O ATOM 496 CB TRP A 35 -9.267 16.920 20.227 1.00 0.00 C ATOM 497 CG TRP A 35 -10.375 16.001 19.811 1.00 0.00 C ATOM 498 CD1 TRP A 35 -10.533 14.692 20.170 1.00 0.00 C ATOM 499 CD2 TRP A 35 -11.479 16.320 18.956 1.00 0.00 C ATOM 500 NE1 TRP A 35 -11.668 14.179 19.590 1.00 0.00 N ATOM 501 CE2 TRP A 35 -12.267 15.158 18.841 1.00 0.00 C ATOM 502 CE3 TRP A 35 -11.879 17.475 18.279 1.00 0.00 C ATOM 503 CZ2 TRP A 35 -13.429 15.120 18.075 1.00 0.00 C ATOM 504 CZ3 TRP A 35 -13.032 17.435 17.519 1.00 0.00 C ATOM 505 CH2 TRP A 35 -13.797 16.265 17.422 1.00 0.00 C ATOM 0 H TRP A 35 -7.349 18.522 20.150 1.00 0.00 H new ATOM 0 HA TRP A 35 -7.556 15.646 19.962 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -9.152 16.872 21.310 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -9.543 17.945 19.981 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -9.864 14.142 20.815 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -12.010 13.224 19.699 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -11.297 18.382 18.349 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -14.019 14.219 17.999 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -13.349 18.321 16.990 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -14.694 16.267 16.821 1.00 0.00 H new ATOM 516 N ILE A 36 -8.025 17.559 17.345 1.00 0.00 N ATOM 517 CA ILE A 36 -8.181 17.551 15.895 1.00 0.00 C ATOM 518 C ILE A 36 -7.131 16.664 15.234 1.00 0.00 C ATOM 519 O ILE A 36 -7.459 15.774 14.451 1.00 0.00 O ATOM 520 CB ILE A 36 -8.079 18.972 15.310 1.00 0.00 C ATOM 521 CG1 ILE A 36 -9.143 19.880 15.931 1.00 0.00 C ATOM 522 CG2 ILE A 36 -8.225 18.933 13.796 1.00 0.00 C ATOM 523 CD1 ILE A 36 -9.098 21.302 15.417 1.00 0.00 C ATOM 0 H ILE A 36 -7.847 18.480 17.745 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.174 17.152 15.686 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.097 19.379 15.550 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.129 19.461 15.730 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.015 19.889 17.013 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -8.151 19.945 13.397 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.434 18.316 13.370 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.195 18.510 13.535 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.880 21.888 15.900 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.125 21.739 15.641 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.257 21.304 14.339 1.00 0.00 H new ATOM 535 N SER A 37 -5.865 16.914 15.557 1.00 0.00 N ATOM 536 CA SER A 37 -4.766 16.140 14.993 1.00 0.00 C ATOM 537 C SER A 37 -5.011 14.644 15.163 1.00 0.00 C ATOM 538 O SER A 37 -4.666 13.844 14.294 1.00 0.00 O ATOM 539 CB SER A 37 -3.445 16.531 15.659 1.00 0.00 C ATOM 540 OG SER A 37 -2.408 15.633 15.301 1.00 0.00 O ATOM 0 H SER A 37 -5.576 17.646 16.206 1.00 0.00 H new ATOM 0 HA SER A 37 -4.708 16.362 13.927 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.171 17.544 15.364 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.568 16.537 16.742 1.00 0.00 H new ATOM 0 HG SER A 37 -1.574 15.905 15.738 1.00 0.00 H new ATOM 546 N TYR A 38 -5.610 14.273 16.290 1.00 0.00 N ATOM 547 CA TYR A 38 -5.900 12.874 16.577 1.00 0.00 C ATOM 548 C TYR A 38 -6.855 12.291 15.539 1.00 0.00 C ATOM 549 O TYR A 38 -6.632 11.198 15.020 1.00 0.00 O ATOM 550 CB TYR A 38 -6.502 12.732 17.976 1.00 0.00 C ATOM 551 CG TYR A 38 -7.611 11.708 18.057 1.00 0.00 C ATOM 552 CD1 TYR A 38 -7.344 10.352 17.914 1.00 0.00 C ATOM 553 CD2 TYR A 38 -8.927 12.096 18.276 1.00 0.00 C ATOM 554 CE1 TYR A 38 -8.354 9.413 17.987 1.00 0.00 C ATOM 555 CE2 TYR A 38 -9.944 11.164 18.352 1.00 0.00 C ATOM 556 CZ TYR A 38 -9.652 9.824 18.206 1.00 0.00 C ATOM 557 OH TYR A 38 -10.662 8.892 18.280 1.00 0.00 O ATOM 0 H TYR A 38 -5.904 14.923 17.019 1.00 0.00 H new ATOM 0 HA TYR A 38 -4.963 12.320 16.534 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.713 12.457 18.676 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -6.888 13.700 18.296 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -6.329 10.027 17.743 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -9.159 13.145 18.389 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -8.129 8.363 17.873 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -10.961 11.483 18.525 1.00 0.00 H new ATOM 0 HH TYR A 38 -11.515 9.346 18.439 1.00 0.00 H new ATOM 567 N GLN A 39 -7.918 13.031 15.242 1.00 0.00 N ATOM 568 CA GLN A 39 -8.907 12.589 14.266 1.00 0.00 C ATOM 569 C GLN A 39 -8.387 12.769 12.844 1.00 0.00 C ATOM 570 O GLN A 39 -8.846 12.104 11.915 1.00 0.00 O ATOM 571 CB GLN A 39 -10.214 13.364 14.446 1.00 0.00 C ATOM 572 CG GLN A 39 -11.225 12.654 15.333 1.00 0.00 C ATOM 573 CD GLN A 39 -12.360 12.034 14.543 1.00 0.00 C ATOM 574 OE1 GLN A 39 -13.093 12.729 13.838 1.00 0.00 O ATOM 575 NE2 GLN A 39 -12.512 10.720 14.655 1.00 0.00 N ATOM 0 H GLN A 39 -8.117 13.939 15.663 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.096 11.528 14.432 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.991 14.342 14.874 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -10.661 13.539 13.467 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -10.718 11.877 15.905 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -11.633 13.364 16.052 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.882 10.183 15.250 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -13.259 10.248 14.146 1.00 0.00 H new ATOM 584 N VAL A 40 -7.428 13.675 12.680 1.00 0.00 N ATOM 585 CA VAL A 40 -6.845 13.942 11.371 1.00 0.00 C ATOM 586 C VAL A 40 -5.828 12.872 10.993 1.00 0.00 C ATOM 587 O VAL A 40 -5.595 12.612 9.813 1.00 0.00 O ATOM 588 CB VAL A 40 -6.160 15.322 11.332 1.00 0.00 C ATOM 589 CG1 VAL A 40 -5.502 15.554 9.981 1.00 0.00 C ATOM 590 CG2 VAL A 40 -7.163 16.423 11.642 1.00 0.00 C ATOM 0 H VAL A 40 -7.039 14.236 13.438 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.664 13.930 10.652 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.383 15.344 12.096 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.024 16.533 9.973 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.753 14.783 9.804 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.258 15.513 9.196 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.662 17.391 11.610 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.964 16.404 10.903 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -7.582 16.264 12.635 1.00 0.00 H new ATOM 600 N GLU A 41 -5.225 12.253 12.003 1.00 0.00 N ATOM 601 CA GLU A 41 -4.231 11.210 11.776 1.00 0.00 C ATOM 602 C GLU A 41 -4.889 9.833 11.732 1.00 0.00 C ATOM 603 O GLU A 41 -4.353 8.895 11.141 1.00 0.00 O ATOM 604 CB GLU A 41 -3.164 11.243 12.872 1.00 0.00 C ATOM 605 CG GLU A 41 -2.053 10.227 12.670 1.00 0.00 C ATOM 606 CD GLU A 41 -1.368 10.371 11.325 1.00 0.00 C ATOM 607 OE1 GLU A 41 -1.981 9.996 10.304 1.00 0.00 O ATOM 608 OE2 GLU A 41 -0.219 10.860 11.294 1.00 0.00 O ATOM 0 H GLU A 41 -5.407 12.455 12.986 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.757 11.399 10.813 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.729 12.241 12.914 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.640 11.062 13.836 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.314 10.339 13.464 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.465 9.222 12.758 1.00 0.00 H new ATOM 615 N LYS A 42 -6.053 9.720 12.363 1.00 0.00 N ATOM 616 CA LYS A 42 -6.785 8.459 12.397 1.00 0.00 C ATOM 617 C LYS A 42 -7.665 8.308 11.160 1.00 0.00 C ATOM 618 O LYS A 42 -7.902 7.197 10.688 1.00 0.00 O ATOM 619 CB LYS A 42 -7.645 8.379 13.660 1.00 0.00 C ATOM 620 CG LYS A 42 -7.670 6.999 14.293 1.00 0.00 C ATOM 621 CD LYS A 42 -7.324 7.056 15.771 1.00 0.00 C ATOM 622 CE LYS A 42 -6.493 5.855 16.196 1.00 0.00 C ATOM 623 NZ LYS A 42 -7.318 4.826 16.886 1.00 0.00 N ATOM 0 H LYS A 42 -6.510 10.486 12.858 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.059 7.646 12.407 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.271 9.097 14.390 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.665 8.675 13.414 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.659 6.558 14.167 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.963 6.349 13.778 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.774 7.973 15.982 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.241 7.092 16.359 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.019 5.413 15.320 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.693 6.183 16.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.715 4.024 17.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.750 5.240 17.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.066 4.494 16.245 1.00 0.00 H new ATOM 637 N ASN A 43 -8.144 9.433 10.639 1.00 0.00 N ATOM 638 CA ASN A 43 -8.997 9.425 9.456 1.00 0.00 C ATOM 639 C ASN A 43 -8.160 9.493 8.182 1.00 0.00 C ATOM 640 O ASN A 43 -8.694 9.646 7.083 1.00 0.00 O ATOM 641 CB ASN A 43 -9.977 10.599 9.500 1.00 0.00 C ATOM 642 CG ASN A 43 -11.099 10.378 10.496 1.00 0.00 C ATOM 643 OD1 ASN A 43 -10.736 10.114 11.746 1.00 0.00 O flip ATOM 644 ND2 ASN A 43 -12.277 10.446 10.146 1.00 0.00 N flip ATOM 0 H ASN A 43 -7.956 10.361 11.017 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.560 8.492 9.450 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -9.438 11.510 9.761 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.401 10.753 8.508 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -12.509 10.652 9.174 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -13.021 10.297 10.828 1.00 0.00 H new ATOM 651 N LYS A 44 -6.846 9.379 8.337 1.00 0.00 N ATOM 652 CA LYS A 44 -5.934 9.426 7.200 1.00 0.00 C ATOM 653 C LYS A 44 -6.195 10.660 6.343 1.00 0.00 C ATOM 654 O LYS A 44 -5.978 10.644 5.132 1.00 0.00 O ATOM 655 CB LYS A 44 -6.080 8.162 6.350 1.00 0.00 C ATOM 656 CG LYS A 44 -5.809 6.879 7.117 1.00 0.00 C ATOM 657 CD LYS A 44 -4.709 6.060 6.463 1.00 0.00 C ATOM 658 CE LYS A 44 -5.280 5.009 5.522 1.00 0.00 C ATOM 659 NZ LYS A 44 -6.039 5.625 4.398 1.00 0.00 N ATOM 0 H LYS A 44 -6.388 9.253 9.240 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.916 9.482 7.586 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.089 8.124 5.940 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.395 8.222 5.504 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.525 7.120 8.141 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.722 6.286 7.171 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.042 6.721 5.910 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.110 5.574 7.233 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.469 4.400 5.122 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.936 4.340 6.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.340 4.883 3.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.877 6.115 4.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.431 6.308 3.902 1.00 0.00 H new ATOM 673 N TYR A 45 -6.661 11.729 6.980 1.00 0.00 N ATOM 674 CA TYR A 45 -6.953 12.972 6.276 1.00 0.00 C ATOM 675 C TYR A 45 -5.666 13.704 5.907 1.00 0.00 C ATOM 676 O TYR A 45 -4.769 13.861 6.735 1.00 0.00 O ATOM 677 CB TYR A 45 -7.838 13.875 7.136 1.00 0.00 C ATOM 678 CG TYR A 45 -8.563 14.942 6.348 1.00 0.00 C ATOM 679 CD1 TYR A 45 -9.442 14.602 5.327 1.00 0.00 C ATOM 680 CD2 TYR A 45 -8.368 16.290 6.622 1.00 0.00 C ATOM 681 CE1 TYR A 45 -10.106 15.573 4.603 1.00 0.00 C ATOM 682 CE2 TYR A 45 -9.029 17.268 5.905 1.00 0.00 C ATOM 683 CZ TYR A 45 -9.896 16.904 4.896 1.00 0.00 C ATOM 684 OH TYR A 45 -10.555 17.876 4.178 1.00 0.00 O ATOM 0 H TYR A 45 -6.845 11.759 7.983 1.00 0.00 H new ATOM 0 HA TYR A 45 -7.485 12.723 5.358 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -8.571 13.260 7.658 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.223 14.353 7.898 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -9.609 13.560 5.095 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.688 16.578 7.410 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.786 15.291 3.812 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.868 18.311 6.133 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.723 17.553 3.268 1.00 0.00 H new ATOM 694 N ASP A 46 -5.585 14.151 4.659 1.00 0.00 N ATOM 695 CA ASP A 46 -4.409 14.869 4.179 1.00 0.00 C ATOM 696 C ASP A 46 -4.114 16.079 5.059 1.00 0.00 C ATOM 697 O ASP A 46 -2.973 16.529 5.150 1.00 0.00 O ATOM 698 CB ASP A 46 -4.614 15.314 2.730 1.00 0.00 C ATOM 699 CG ASP A 46 -3.434 14.964 1.844 1.00 0.00 C ATOM 700 OD1 ASP A 46 -3.373 13.813 1.364 1.00 0.00 O ATOM 701 OD2 ASP A 46 -2.572 15.842 1.631 1.00 0.00 O ATOM 0 H ASP A 46 -6.319 14.029 3.961 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.556 14.192 4.226 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.514 14.845 2.333 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -4.777 16.391 2.704 1.00 0.00 H new ATOM 706 N ALA A 47 -5.152 16.601 5.705 1.00 0.00 N ATOM 707 CA ALA A 47 -5.004 17.758 6.579 1.00 0.00 C ATOM 708 C ALA A 47 -4.558 18.987 5.793 1.00 0.00 C ATOM 709 O ALA A 47 -3.956 19.906 6.348 1.00 0.00 O ATOM 710 CB ALA A 47 -4.013 17.455 7.693 1.00 0.00 C ATOM 0 H ALA A 47 -6.104 16.241 5.639 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.977 17.974 7.021 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.912 18.328 8.338 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.373 16.610 8.280 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.043 17.210 7.260 1.00 0.00 H new ATOM 716 N SER A 48 -4.857 18.995 4.498 1.00 0.00 N ATOM 717 CA SER A 48 -4.483 20.109 3.634 1.00 0.00 C ATOM 718 C SER A 48 -5.708 20.934 3.250 1.00 0.00 C ATOM 719 O SER A 48 -5.727 21.589 2.209 1.00 0.00 O ATOM 720 CB SER A 48 -3.786 19.593 2.374 1.00 0.00 C ATOM 721 OG SER A 48 -4.723 19.336 1.342 1.00 0.00 O ATOM 0 H SER A 48 -5.357 18.243 4.024 1.00 0.00 H new ATOM 0 HA SER A 48 -3.794 20.749 4.185 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.056 20.327 2.032 1.00 0.00 H new ATOM 0 HB3 SER A 48 -3.237 18.681 2.606 1.00 0.00 H new ATOM 0 HG SER A 48 -5.145 20.176 1.067 1.00 0.00 H new ATOM 727 N ALA A 49 -6.730 20.895 4.099 1.00 0.00 N ATOM 728 CA ALA A 49 -7.958 21.639 3.851 1.00 0.00 C ATOM 729 C ALA A 49 -8.412 22.383 5.103 1.00 0.00 C ATOM 730 O ALA A 49 -8.865 23.526 5.027 1.00 0.00 O ATOM 731 CB ALA A 49 -9.054 20.702 3.366 1.00 0.00 C ATOM 0 H ALA A 49 -6.731 20.356 4.965 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.756 22.377 3.075 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.966 21.271 3.185 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.737 20.220 2.441 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.245 19.943 4.124 1.00 0.00 H new ATOM 737 N ILE A 50 -8.287 21.729 6.252 1.00 0.00 N ATOM 738 CA ILE A 50 -8.684 22.329 7.520 1.00 0.00 C ATOM 739 C ILE A 50 -8.052 23.706 7.697 1.00 0.00 C ATOM 740 O ILE A 50 -6.906 23.930 7.307 1.00 0.00 O ATOM 741 CB ILE A 50 -8.290 21.439 8.713 1.00 0.00 C ATOM 742 CG1 ILE A 50 -8.942 20.061 8.586 1.00 0.00 C ATOM 743 CG2 ILE A 50 -8.688 22.101 10.023 1.00 0.00 C ATOM 744 CD1 ILE A 50 -8.465 19.068 9.623 1.00 0.00 C ATOM 0 H ILE A 50 -7.914 20.783 6.332 1.00 0.00 H new ATOM 0 HA ILE A 50 -9.769 22.429 7.496 1.00 0.00 H new ATOM 0 HB ILE A 50 -7.208 21.310 8.709 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.023 20.171 8.670 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.738 19.662 7.592 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -8.403 21.459 10.856 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.181 23.061 10.114 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -9.767 22.258 10.039 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -8.969 18.114 9.472 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.388 18.929 9.525 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.693 19.445 10.620 1.00 0.00 H new ATOM 756 N ASP A 51 -8.807 24.625 8.289 1.00 0.00 N ATOM 757 CA ASP A 51 -8.321 25.980 8.522 1.00 0.00 C ATOM 758 C ASP A 51 -8.182 26.259 10.015 1.00 0.00 C ATOM 759 O ASP A 51 -9.064 26.859 10.630 1.00 0.00 O ATOM 760 CB ASP A 51 -9.266 27.000 7.886 1.00 0.00 C ATOM 761 CG ASP A 51 -8.962 27.236 6.419 1.00 0.00 C ATOM 762 OD1 ASP A 51 -9.503 26.493 5.574 1.00 0.00 O ATOM 763 OD2 ASP A 51 -8.182 28.163 6.116 1.00 0.00 O ATOM 0 H ASP A 51 -9.758 24.456 8.616 1.00 0.00 H new ATOM 0 HA ASP A 51 -7.337 26.071 8.061 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.294 26.652 7.990 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.193 27.944 8.426 1.00 0.00 H new ATOM 768 N PHE A 52 -7.070 25.818 10.593 1.00 0.00 N ATOM 769 CA PHE A 52 -6.816 26.018 12.015 1.00 0.00 C ATOM 770 C PHE A 52 -6.856 27.501 12.371 1.00 0.00 C ATOM 771 O PHE A 52 -7.103 27.868 13.520 1.00 0.00 O ATOM 772 CB PHE A 52 -5.459 25.425 12.401 1.00 0.00 C ATOM 773 CG PHE A 52 -5.374 23.939 12.200 1.00 0.00 C ATOM 774 CD1 PHE A 52 -4.956 23.414 10.987 1.00 0.00 C ATOM 775 CD2 PHE A 52 -5.713 23.068 13.222 1.00 0.00 C ATOM 776 CE1 PHE A 52 -4.878 22.047 10.799 1.00 0.00 C ATOM 777 CE2 PHE A 52 -5.636 21.700 13.040 1.00 0.00 C ATOM 778 CZ PHE A 52 -5.217 21.189 11.827 1.00 0.00 C ATOM 0 H PHE A 52 -6.330 25.320 10.099 1.00 0.00 H new ATOM 0 HA PHE A 52 -7.600 25.507 12.574 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.680 25.908 11.812 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.256 25.654 13.447 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.688 24.080 10.180 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -6.041 23.462 14.172 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.552 21.650 9.849 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.903 21.032 13.845 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.155 20.121 11.683 1.00 0.00 H new ATOM 788 N SER A 53 -6.610 28.349 11.378 1.00 0.00 N ATOM 789 CA SER A 53 -6.614 29.792 11.586 1.00 0.00 C ATOM 790 C SER A 53 -7.920 30.245 12.231 1.00 0.00 C ATOM 791 O SER A 53 -7.928 31.127 13.090 1.00 0.00 O ATOM 792 CB SER A 53 -6.410 30.521 10.256 1.00 0.00 C ATOM 793 OG SER A 53 -5.031 30.684 9.970 1.00 0.00 O ATOM 0 H SER A 53 -6.405 28.062 10.421 1.00 0.00 H new ATOM 0 HA SER A 53 -5.792 30.039 12.258 1.00 0.00 H new ATOM 0 HB2 SER A 53 -6.887 29.959 9.453 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.895 31.497 10.294 1.00 0.00 H new ATOM 0 HG SER A 53 -4.927 31.151 9.115 1.00 0.00 H new ATOM 799 N ARG A 54 -9.023 29.634 11.811 1.00 0.00 N ATOM 800 CA ARG A 54 -10.336 29.974 12.346 1.00 0.00 C ATOM 801 C ARG A 54 -10.748 28.993 13.440 1.00 0.00 C ATOM 802 O ARG A 54 -11.934 28.836 13.732 1.00 0.00 O ATOM 803 CB ARG A 54 -11.381 29.978 11.229 1.00 0.00 C ATOM 804 CG ARG A 54 -10.922 30.692 9.968 1.00 0.00 C ATOM 805 CD ARG A 54 -12.073 31.418 9.290 1.00 0.00 C ATOM 806 NE ARG A 54 -11.723 32.793 8.941 1.00 0.00 N ATOM 807 CZ ARG A 54 -12.593 33.673 8.458 1.00 0.00 C ATOM 808 NH1 ARG A 54 -13.857 33.323 8.268 1.00 0.00 N ATOM 809 NH2 ARG A 54 -12.198 34.905 8.165 1.00 0.00 N ATOM 0 H ARG A 54 -9.033 28.901 11.102 1.00 0.00 H new ATOM 0 HA ARG A 54 -10.276 30.972 12.781 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.638 28.948 10.980 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -12.290 30.454 11.595 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -10.137 31.406 10.218 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.488 29.970 9.277 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.362 30.877 8.389 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.939 31.421 9.951 1.00 0.00 H new ATOM 0 HE ARG A 54 -10.758 33.094 9.076 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.163 32.376 8.493 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -14.523 34.000 7.897 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -11.226 35.177 8.311 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -12.866 35.580 7.794 1.00 0.00 H new ATOM 823 N CYS A 55 -9.762 28.336 14.040 1.00 0.00 N ATOM 824 CA CYS A 55 -10.022 27.369 15.101 1.00 0.00 C ATOM 825 C CYS A 55 -9.796 27.994 16.474 1.00 0.00 C ATOM 826 O CYS A 55 -8.907 27.578 17.217 1.00 0.00 O ATOM 827 CB CYS A 55 -9.125 26.142 14.931 1.00 0.00 C ATOM 828 SG CYS A 55 -9.524 24.776 16.047 1.00 0.00 S ATOM 0 H CYS A 55 -8.775 28.455 13.810 1.00 0.00 H new ATOM 0 HA CYS A 55 -11.065 27.060 15.031 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -9.200 25.790 13.902 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -8.088 26.438 15.092 1.00 0.00 H new ATOM 0 HG CYS A 55 -10.690 24.981 16.585 1.00 0.00 H new ATOM 834 N ASP A 56 -10.604 28.995 16.802 1.00 0.00 N ATOM 835 CA ASP A 56 -10.492 29.679 18.085 1.00 0.00 C ATOM 836 C ASP A 56 -11.501 29.123 19.087 1.00 0.00 C ATOM 837 O ASP A 56 -12.449 29.806 19.471 1.00 0.00 O ATOM 838 CB ASP A 56 -10.708 31.182 17.907 1.00 0.00 C ATOM 839 CG ASP A 56 -9.464 31.890 17.406 1.00 0.00 C ATOM 840 OD1 ASP A 56 -8.349 31.408 17.698 1.00 0.00 O ATOM 841 OD2 ASP A 56 -9.604 32.926 16.724 1.00 0.00 O ATOM 0 H ASP A 56 -11.344 29.351 16.197 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.488 29.508 18.473 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -11.525 31.348 17.205 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -11.012 31.618 18.859 1.00 0.00 H new ATOM 846 N MET A 57 -11.288 27.879 19.504 1.00 0.00 N ATOM 847 CA MET A 57 -12.179 27.232 20.461 1.00 0.00 C ATOM 848 C MET A 57 -11.387 26.617 21.610 1.00 0.00 C ATOM 849 O MET A 57 -10.474 25.821 21.391 1.00 0.00 O ATOM 850 CB MET A 57 -13.013 26.155 19.765 1.00 0.00 C ATOM 851 CG MET A 57 -13.753 26.657 18.537 1.00 0.00 C ATOM 852 SD MET A 57 -12.939 26.194 16.996 1.00 0.00 S ATOM 853 CE MET A 57 -14.208 25.190 16.231 1.00 0.00 C ATOM 0 H MET A 57 -10.508 27.300 19.195 1.00 0.00 H new ATOM 0 HA MET A 57 -12.847 27.990 20.869 1.00 0.00 H new ATOM 0 HB2 MET A 57 -12.359 25.333 19.474 1.00 0.00 H new ATOM 0 HB3 MET A 57 -13.736 25.752 20.475 1.00 0.00 H new ATOM 0 HG2 MET A 57 -14.768 26.258 18.541 1.00 0.00 H new ATOM 0 HG3 MET A 57 -13.837 27.743 18.587 1.00 0.00 H new ATOM 0 HE1 MET A 57 -14.033 25.138 15.156 1.00 0.00 H new ATOM 0 HE2 MET A 57 -14.180 24.185 16.652 1.00 0.00 H new ATOM 0 HE3 MET A 57 -15.186 25.634 16.418 1.00 0.00 H new ATOM 863 N ASP A 58 -11.743 26.990 22.834 1.00 0.00 N ATOM 864 CA ASP A 58 -11.066 26.474 24.018 1.00 0.00 C ATOM 865 C ASP A 58 -11.704 25.169 24.483 1.00 0.00 C ATOM 866 O ASP A 58 -11.009 24.213 24.825 1.00 0.00 O ATOM 867 CB ASP A 58 -11.106 27.506 25.146 1.00 0.00 C ATOM 868 CG ASP A 58 -11.034 28.930 24.630 1.00 0.00 C ATOM 869 OD1 ASP A 58 -10.289 29.172 23.657 1.00 0.00 O ATOM 870 OD2 ASP A 58 -11.723 29.803 25.199 1.00 0.00 O ATOM 0 H ASP A 58 -12.497 27.648 23.032 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.027 26.276 23.754 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.023 27.377 25.721 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.275 27.327 25.828 1.00 0.00 H new ATOM 875 N GLY A 59 -13.033 25.137 24.495 1.00 0.00 N ATOM 876 CA GLY A 59 -13.743 23.945 24.921 1.00 0.00 C ATOM 877 C GLY A 59 -15.248 24.098 24.818 1.00 0.00 C ATOM 878 O GLY A 59 -15.904 23.366 24.078 1.00 0.00 O ATOM 0 H GLY A 59 -13.631 25.915 24.217 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -13.424 23.099 24.312 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -13.474 23.715 25.952 1.00 0.00 H new ATOM 882 N ALA A 60 -15.796 25.052 25.564 1.00 0.00 N ATOM 883 CA ALA A 60 -17.232 25.299 25.554 1.00 0.00 C ATOM 884 C ALA A 60 -17.703 25.740 24.172 1.00 0.00 C ATOM 885 O ALA A 60 -18.869 25.564 23.816 1.00 0.00 O ATOM 886 CB ALA A 60 -17.596 26.345 26.597 1.00 0.00 C ATOM 0 H ALA A 60 -15.267 25.666 26.183 1.00 0.00 H new ATOM 0 HA ALA A 60 -17.738 24.366 25.801 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -18.672 26.519 26.578 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -17.303 25.991 27.585 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -17.074 27.276 26.376 1.00 0.00 H new ATOM 892 N THR A 61 -16.790 26.316 23.397 1.00 0.00 N ATOM 893 CA THR A 61 -17.112 26.785 22.055 1.00 0.00 C ATOM 894 C THR A 61 -17.189 25.623 21.070 1.00 0.00 C ATOM 895 O THR A 61 -17.957 25.661 20.108 1.00 0.00 O ATOM 896 CB THR A 61 -16.071 27.802 21.550 1.00 0.00 C ATOM 897 OG1 THR A 61 -15.890 28.839 22.521 1.00 0.00 O ATOM 898 CG2 THR A 61 -16.508 28.411 20.226 1.00 0.00 C ATOM 0 H THR A 61 -15.821 26.469 23.676 1.00 0.00 H new ATOM 0 HA THR A 61 -18.085 27.272 22.116 1.00 0.00 H new ATOM 0 HB THR A 61 -15.127 27.278 21.397 1.00 0.00 H new ATOM 0 HG1 THR A 61 -15.226 29.481 22.194 1.00 0.00 H new ATOM 0 HG21 THR A 61 -15.757 29.126 19.889 1.00 0.00 H new ATOM 0 HG22 THR A 61 -16.618 27.622 19.482 1.00 0.00 H new ATOM 0 HG23 THR A 61 -17.462 28.921 20.358 1.00 0.00 H new ATOM 906 N LEU A 62 -16.388 24.592 21.316 1.00 0.00 N ATOM 907 CA LEU A 62 -16.366 23.417 20.451 1.00 0.00 C ATOM 908 C LEU A 62 -17.662 22.623 20.578 1.00 0.00 C ATOM 909 O LEU A 62 -18.270 22.243 19.577 1.00 0.00 O ATOM 910 CB LEU A 62 -15.172 22.527 20.798 1.00 0.00 C ATOM 911 CG LEU A 62 -14.954 21.314 19.892 1.00 0.00 C ATOM 912 CD1 LEU A 62 -14.833 21.747 18.439 1.00 0.00 C ATOM 913 CD2 LEU A 62 -13.717 20.541 20.325 1.00 0.00 C ATOM 0 H LEU A 62 -15.745 24.546 22.107 1.00 0.00 H new ATOM 0 HA LEU A 62 -16.270 23.757 19.420 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -14.270 23.139 20.776 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -15.293 22.174 21.822 1.00 0.00 H new ATOM 0 HG LEU A 62 -15.819 20.657 19.982 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -14.678 20.870 17.810 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -15.747 22.256 18.134 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -13.987 22.425 18.331 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -13.577 19.681 19.670 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -12.843 21.190 20.264 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -13.843 20.198 21.352 1.00 0.00 H new ATOM 925 N CYS A 63 -18.080 22.377 21.815 1.00 0.00 N ATOM 926 CA CYS A 63 -19.305 21.628 22.074 1.00 0.00 C ATOM 927 C CYS A 63 -20.534 22.457 21.716 1.00 0.00 C ATOM 928 O CYS A 63 -21.591 21.912 21.399 1.00 0.00 O ATOM 929 CB CYS A 63 -19.369 21.206 23.542 1.00 0.00 C ATOM 930 SG CYS A 63 -19.599 22.580 24.695 1.00 0.00 S ATOM 0 H CYS A 63 -17.589 22.685 22.654 1.00 0.00 H new ATOM 0 HA CYS A 63 -19.296 20.736 21.448 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -20.187 20.497 23.670 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -18.449 20.680 23.798 1.00 0.00 H new ATOM 0 HG CYS A 63 -19.297 23.698 24.104 1.00 0.00 H new ATOM 936 N ASN A 64 -20.388 23.777 21.770 1.00 0.00 N ATOM 937 CA ASN A 64 -21.487 24.681 21.454 1.00 0.00 C ATOM 938 C ASN A 64 -21.569 24.933 19.951 1.00 0.00 C ATOM 939 O ASN A 64 -22.638 25.234 19.419 1.00 0.00 O ATOM 940 CB ASN A 64 -21.314 26.008 22.196 1.00 0.00 C ATOM 941 CG ASN A 64 -21.724 25.913 23.653 1.00 0.00 C ATOM 942 OD1 ASN A 64 -22.029 24.831 24.154 1.00 0.00 O ATOM 943 ND2 ASN A 64 -21.734 27.050 24.340 1.00 0.00 N ATOM 0 H ASN A 64 -19.519 24.244 22.030 1.00 0.00 H new ATOM 0 HA ASN A 64 -22.416 24.210 21.777 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -20.272 26.323 22.134 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -21.909 26.777 21.703 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -22.002 27.049 25.324 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -21.473 27.924 23.883 1.00 0.00 H new ATOM 950 N CYS A 65 -20.434 24.807 19.273 1.00 0.00 N ATOM 951 CA CYS A 65 -20.376 25.021 17.832 1.00 0.00 C ATOM 952 C CYS A 65 -21.437 24.191 17.116 1.00 0.00 C ATOM 953 O CYS A 65 -22.006 23.264 17.691 1.00 0.00 O ATOM 954 CB CYS A 65 -18.988 24.668 17.298 1.00 0.00 C ATOM 955 SG CYS A 65 -17.910 26.096 17.039 1.00 0.00 S ATOM 0 H CYS A 65 -19.541 24.558 19.698 1.00 0.00 H new ATOM 0 HA CYS A 65 -20.574 26.075 17.638 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -18.505 23.984 17.996 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -19.099 24.134 16.354 1.00 0.00 H new ATOM 0 HG CYS A 65 -18.529 26.981 16.316 1.00 0.00 H new ATOM 961 N ALA A 66 -21.697 24.530 15.858 1.00 0.00 N ATOM 962 CA ALA A 66 -22.689 23.816 15.063 1.00 0.00 C ATOM 963 C ALA A 66 -22.021 22.842 14.098 1.00 0.00 C ATOM 964 O ALA A 66 -20.855 23.009 13.739 1.00 0.00 O ATOM 965 CB ALA A 66 -23.563 24.801 14.301 1.00 0.00 C ATOM 0 H ALA A 66 -21.234 25.295 15.367 1.00 0.00 H new ATOM 0 HA ALA A 66 -23.317 23.240 15.743 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -24.299 24.254 13.712 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -24.076 25.454 15.007 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -22.941 25.402 13.637 1.00 0.00 H new ATOM 971 N LEU A 67 -22.766 21.824 13.682 1.00 0.00 N ATOM 972 CA LEU A 67 -22.246 20.822 12.759 1.00 0.00 C ATOM 973 C LEU A 67 -21.635 21.482 11.527 1.00 0.00 C ATOM 974 O LEU A 67 -20.443 21.334 11.259 1.00 0.00 O ATOM 975 CB LEU A 67 -23.359 19.861 12.337 1.00 0.00 C ATOM 976 CG LEU A 67 -23.078 19.009 11.100 1.00 0.00 C ATOM 977 CD1 LEU A 67 -21.750 18.282 11.243 1.00 0.00 C ATOM 978 CD2 LEU A 67 -24.208 18.017 10.867 1.00 0.00 C ATOM 0 H LEU A 67 -23.733 21.671 13.970 1.00 0.00 H new ATOM 0 HA LEU A 67 -21.466 20.261 13.273 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -23.571 19.194 13.172 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -24.263 20.442 12.155 1.00 0.00 H new ATOM 0 HG LEU A 67 -23.017 19.669 10.235 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -21.567 17.680 10.353 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -20.947 19.010 11.360 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -21.783 17.634 12.119 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -23.991 17.419 9.982 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -24.302 17.362 11.733 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -25.142 18.558 10.719 1.00 0.00 H new ATOM 990 N GLU A 68 -22.460 22.212 10.782 1.00 0.00 N ATOM 991 CA GLU A 68 -21.999 22.896 9.580 1.00 0.00 C ATOM 992 C GLU A 68 -20.764 23.743 9.874 1.00 0.00 C ATOM 993 O GLU A 68 -19.846 23.822 9.060 1.00 0.00 O ATOM 994 CB GLU A 68 -23.112 23.778 9.010 1.00 0.00 C ATOM 995 CG GLU A 68 -23.554 24.885 9.952 1.00 0.00 C ATOM 996 CD GLU A 68 -24.712 25.693 9.400 1.00 0.00 C ATOM 997 OE1 GLU A 68 -24.742 25.926 8.174 1.00 0.00 O ATOM 998 OE2 GLU A 68 -25.589 26.092 10.195 1.00 0.00 O ATOM 0 H GLU A 68 -23.450 22.344 10.990 1.00 0.00 H new ATOM 0 HA GLU A 68 -21.731 22.139 8.843 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -22.769 24.223 8.076 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -23.972 23.153 8.769 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -23.843 24.449 10.908 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -22.712 25.550 10.146 1.00 0.00 H new ATOM 1005 N GLU A 69 -20.752 24.373 11.045 1.00 0.00 N ATOM 1006 CA GLU A 69 -19.631 25.215 11.446 1.00 0.00 C ATOM 1007 C GLU A 69 -18.324 24.428 11.426 1.00 0.00 C ATOM 1008 O GLU A 69 -17.362 24.817 10.763 1.00 0.00 O ATOM 1009 CB GLU A 69 -19.871 25.790 12.844 1.00 0.00 C ATOM 1010 CG GLU A 69 -20.197 27.274 12.844 1.00 0.00 C ATOM 1011 CD GLU A 69 -19.746 27.970 14.114 1.00 0.00 C ATOM 1012 OE1 GLU A 69 -20.419 27.804 15.152 1.00 0.00 O ATOM 1013 OE2 GLU A 69 -18.720 28.680 14.068 1.00 0.00 O ATOM 0 H GLU A 69 -21.505 24.316 11.731 1.00 0.00 H new ATOM 0 HA GLU A 69 -19.552 26.035 10.732 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -20.690 25.247 13.315 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -18.984 25.622 13.454 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -19.720 27.747 11.986 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -21.272 27.406 12.724 1.00 0.00 H new ATOM 1020 N LEU A 70 -18.298 23.318 12.156 1.00 0.00 N ATOM 1021 CA LEU A 70 -17.110 22.475 12.223 1.00 0.00 C ATOM 1022 C LEU A 70 -16.703 21.994 10.833 1.00 0.00 C ATOM 1023 O LEU A 70 -15.537 21.684 10.589 1.00 0.00 O ATOM 1024 CB LEU A 70 -17.363 21.274 13.136 1.00 0.00 C ATOM 1025 CG LEU A 70 -17.920 21.592 14.524 1.00 0.00 C ATOM 1026 CD1 LEU A 70 -18.298 20.313 15.254 1.00 0.00 C ATOM 1027 CD2 LEU A 70 -16.910 22.392 15.334 1.00 0.00 C ATOM 0 H LEU A 70 -19.086 22.981 12.709 1.00 0.00 H new ATOM 0 HA LEU A 70 -16.295 23.071 12.634 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -18.057 20.601 12.633 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -16.425 20.732 13.258 1.00 0.00 H new ATOM 0 HG LEU A 70 -18.819 22.196 14.403 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -18.692 20.560 16.240 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -19.057 19.779 14.683 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -17.416 19.682 15.364 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -17.324 22.609 16.319 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -15.993 21.814 15.445 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -16.689 23.327 14.819 1.00 0.00 H new ATOM 1039 N ARG A 71 -17.673 21.937 9.926 1.00 0.00 N ATOM 1040 CA ARG A 71 -17.416 21.496 8.560 1.00 0.00 C ATOM 1041 C ARG A 71 -16.822 22.627 7.726 1.00 0.00 C ATOM 1042 O ARG A 71 -16.186 22.388 6.699 1.00 0.00 O ATOM 1043 CB ARG A 71 -18.708 20.994 7.912 1.00 0.00 C ATOM 1044 CG ARG A 71 -19.132 19.615 8.389 1.00 0.00 C ATOM 1045 CD ARG A 71 -20.563 19.301 7.983 1.00 0.00 C ATOM 1046 NE ARG A 71 -20.652 18.074 7.195 1.00 0.00 N ATOM 1047 CZ ARG A 71 -20.381 18.014 5.896 1.00 0.00 C ATOM 1048 NH1 ARG A 71 -20.005 19.105 5.242 1.00 0.00 N ATOM 1049 NH2 ARG A 71 -20.484 16.861 5.248 1.00 0.00 N ATOM 0 H ARG A 71 -18.643 22.190 10.112 1.00 0.00 H new ATOM 0 HA ARG A 71 -16.695 20.679 8.598 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -19.509 21.704 8.121 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -18.577 20.971 6.830 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -18.461 18.863 7.973 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -19.040 19.560 9.474 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -21.180 19.204 8.876 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -20.967 20.133 7.406 1.00 0.00 H new ATOM 0 HE ARG A 71 -20.938 17.217 7.668 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -19.923 19.993 5.737 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -19.798 19.056 4.245 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -20.772 16.019 5.747 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -20.276 16.816 4.251 1.00 0.00 H new ATOM 1063 N LEU A 72 -17.035 23.860 8.173 1.00 0.00 N ATOM 1064 CA LEU A 72 -16.521 25.029 7.468 1.00 0.00 C ATOM 1065 C LEU A 72 -15.155 25.436 8.011 1.00 0.00 C ATOM 1066 O LEU A 72 -14.416 26.181 7.368 1.00 0.00 O ATOM 1067 CB LEU A 72 -17.501 26.197 7.595 1.00 0.00 C ATOM 1068 CG LEU A 72 -18.420 26.435 6.396 1.00 0.00 C ATOM 1069 CD1 LEU A 72 -19.856 26.636 6.855 1.00 0.00 C ATOM 1070 CD2 LEU A 72 -17.943 27.633 5.589 1.00 0.00 C ATOM 0 H LEU A 72 -17.560 24.076 9.020 1.00 0.00 H new ATOM 0 HA LEU A 72 -16.410 24.768 6.416 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -18.121 26.031 8.476 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -16.929 27.107 7.775 1.00 0.00 H new ATOM 0 HG LEU A 72 -18.386 25.554 5.756 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -20.495 26.804 5.988 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -20.195 25.748 7.389 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -19.909 27.500 7.517 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -18.608 27.788 4.740 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -17.947 28.522 6.220 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -16.931 27.449 5.228 1.00 0.00 H new ATOM 1082 N VAL A 73 -14.824 24.939 9.199 1.00 0.00 N ATOM 1083 CA VAL A 73 -13.545 25.248 9.827 1.00 0.00 C ATOM 1084 C VAL A 73 -12.558 24.099 9.658 1.00 0.00 C ATOM 1085 O VAL A 73 -11.346 24.309 9.613 1.00 0.00 O ATOM 1086 CB VAL A 73 -13.715 25.547 11.329 1.00 0.00 C ATOM 1087 CG1 VAL A 73 -12.367 25.831 11.973 1.00 0.00 C ATOM 1088 CG2 VAL A 73 -14.670 26.714 11.534 1.00 0.00 C ATOM 0 H VAL A 73 -15.424 24.321 9.745 1.00 0.00 H new ATOM 0 HA VAL A 73 -13.154 26.135 9.329 1.00 0.00 H new ATOM 0 HB VAL A 73 -14.142 24.668 11.811 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -12.507 26.040 13.034 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.718 24.963 11.857 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.908 26.694 11.491 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -14.779 26.912 12.600 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -14.273 27.600 11.039 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -15.643 26.467 11.110 1.00 0.00 H new ATOM 1098 N PHE A 74 -13.085 22.882 9.564 1.00 0.00 N ATOM 1099 CA PHE A 74 -12.250 21.698 9.400 1.00 0.00 C ATOM 1100 C PHE A 74 -12.583 20.974 8.099 1.00 0.00 C ATOM 1101 O PHE A 74 -12.338 19.776 7.962 1.00 0.00 O ATOM 1102 CB PHE A 74 -12.434 20.750 10.587 1.00 0.00 C ATOM 1103 CG PHE A 74 -12.511 21.455 11.911 1.00 0.00 C ATOM 1104 CD1 PHE A 74 -11.513 22.332 12.303 1.00 0.00 C ATOM 1105 CD2 PHE A 74 -13.583 21.240 12.763 1.00 0.00 C ATOM 1106 CE1 PHE A 74 -11.582 22.981 13.521 1.00 0.00 C ATOM 1107 CE2 PHE A 74 -13.657 21.887 13.982 1.00 0.00 C ATOM 1108 CZ PHE A 74 -12.656 22.759 14.361 1.00 0.00 C ATOM 0 H PHE A 74 -14.086 22.690 9.599 1.00 0.00 H new ATOM 0 HA PHE A 74 -11.209 22.020 9.360 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -13.345 20.169 10.440 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -11.605 20.043 10.609 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -10.672 22.510 11.650 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -14.369 20.559 12.471 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -10.797 23.661 13.816 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -14.497 21.711 14.637 1.00 0.00 H new ATOM 0 HZ PHE A 74 -12.712 23.267 15.313 1.00 0.00 H new ATOM 1118 N GLY A 75 -13.145 21.711 7.145 1.00 0.00 N ATOM 1119 CA GLY A 75 -13.504 21.122 5.868 1.00 0.00 C ATOM 1120 C GLY A 75 -14.496 19.986 6.012 1.00 0.00 C ATOM 1121 O GLY A 75 -15.315 19.960 6.931 1.00 0.00 O ATOM 0 H GLY A 75 -13.358 22.705 7.234 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.929 21.891 5.223 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.604 20.754 5.375 1.00 0.00 H new ATOM 1125 N PRO A 76 -14.431 19.017 5.086 1.00 0.00 N ATOM 1126 CA PRO A 76 -15.324 17.855 5.091 1.00 0.00 C ATOM 1127 C PRO A 76 -15.032 16.905 6.247 1.00 0.00 C ATOM 1128 O PRO A 76 -15.768 15.944 6.476 1.00 0.00 O ATOM 1129 CB PRO A 76 -15.030 17.175 3.752 1.00 0.00 C ATOM 1130 CG PRO A 76 -13.641 17.592 3.413 1.00 0.00 C ATOM 1131 CD PRO A 76 -13.480 18.983 3.962 1.00 0.00 C ATOM 0 HA PRO A 76 -16.367 18.144 5.217 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -15.109 16.091 3.833 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -15.737 17.490 2.984 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -12.911 16.912 3.853 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -13.481 17.577 2.335 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -12.458 19.168 4.294 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -13.715 19.740 3.214 1.00 0.00 H new ATOM 1139 N LEU A 77 -13.953 17.178 6.973 1.00 0.00 N ATOM 1140 CA LEU A 77 -13.563 16.347 8.107 1.00 0.00 C ATOM 1141 C LEU A 77 -14.477 16.593 9.303 1.00 0.00 C ATOM 1142 O LEU A 77 -14.643 15.726 10.160 1.00 0.00 O ATOM 1143 CB LEU A 77 -12.111 16.628 8.495 1.00 0.00 C ATOM 1144 CG LEU A 77 -11.533 15.757 9.611 1.00 0.00 C ATOM 1145 CD1 LEU A 77 -11.743 14.283 9.300 1.00 0.00 C ATOM 1146 CD2 LEU A 77 -10.055 16.056 9.811 1.00 0.00 C ATOM 0 H LEU A 77 -13.333 17.968 6.797 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.658 15.303 7.809 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -11.489 16.507 7.608 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -12.033 17.672 8.799 1.00 0.00 H new ATOM 0 HG LEU A 77 -12.058 15.991 10.537 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.325 13.678 10.105 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.810 14.079 9.209 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -11.244 14.034 8.363 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -9.661 15.427 10.609 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.514 15.851 8.887 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.929 17.105 10.080 1.00 0.00 H new ATOM 1158 N GLY A 78 -15.071 17.782 9.353 1.00 0.00 N ATOM 1159 CA GLY A 78 -15.963 18.121 10.446 1.00 0.00 C ATOM 1160 C GLY A 78 -17.042 17.077 10.659 1.00 0.00 C ATOM 1161 O GLY A 78 -17.373 16.740 11.795 1.00 0.00 O ATOM 0 H GLY A 78 -14.950 18.516 8.656 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -15.384 18.232 11.363 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -16.429 19.085 10.245 1.00 0.00 H new ATOM 1165 N ASP A 79 -17.592 16.566 9.563 1.00 0.00 N ATOM 1166 CA ASP A 79 -18.641 15.555 9.634 1.00 0.00 C ATOM 1167 C ASP A 79 -18.215 14.392 10.524 1.00 0.00 C ATOM 1168 O ASP A 79 -19.048 13.746 11.159 1.00 0.00 O ATOM 1169 CB ASP A 79 -18.982 15.044 8.234 1.00 0.00 C ATOM 1170 CG ASP A 79 -20.421 14.579 8.122 1.00 0.00 C ATOM 1171 OD1 ASP A 79 -21.090 14.460 9.170 1.00 0.00 O ATOM 1172 OD2 ASP A 79 -20.878 14.335 6.986 1.00 0.00 O ATOM 0 H ASP A 79 -17.329 16.835 8.615 1.00 0.00 H new ATOM 0 HA ASP A 79 -19.527 16.016 10.069 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -18.802 15.836 7.507 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -18.316 14.220 7.979 1.00 0.00 H new ATOM 1177 N GLN A 80 -16.912 14.130 10.563 1.00 0.00 N ATOM 1178 CA GLN A 80 -16.376 13.043 11.373 1.00 0.00 C ATOM 1179 C GLN A 80 -16.071 13.519 12.790 1.00 0.00 C ATOM 1180 O GLN A 80 -16.194 12.759 13.752 1.00 0.00 O ATOM 1181 CB GLN A 80 -15.110 12.475 10.729 1.00 0.00 C ATOM 1182 CG GLN A 80 -15.372 11.715 9.439 1.00 0.00 C ATOM 1183 CD GLN A 80 -16.444 10.654 9.594 1.00 0.00 C ATOM 1184 OE1 GLN A 80 -16.295 9.715 10.377 1.00 0.00 O ATOM 1185 NE2 GLN A 80 -17.532 10.797 8.847 1.00 0.00 N ATOM 0 H GLN A 80 -16.209 14.655 10.043 1.00 0.00 H new ATOM 0 HA GLN A 80 -17.130 12.258 11.428 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -14.418 13.292 10.525 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -14.618 11.810 11.439 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -15.672 12.418 8.662 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -14.447 11.245 9.104 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -17.614 11.591 8.211 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -18.286 10.113 8.909 1.00 0.00 H new ATOM 1194 N LEU A 81 -15.671 14.780 12.911 1.00 0.00 N ATOM 1195 CA LEU A 81 -15.347 15.358 14.211 1.00 0.00 C ATOM 1196 C LEU A 81 -16.600 15.508 15.067 1.00 0.00 C ATOM 1197 O LEU A 81 -16.614 15.128 16.238 1.00 0.00 O ATOM 1198 CB LEU A 81 -14.672 16.719 14.032 1.00 0.00 C ATOM 1199 CG LEU A 81 -13.369 16.721 13.232 1.00 0.00 C ATOM 1200 CD1 LEU A 81 -12.812 18.132 13.122 1.00 0.00 C ATOM 1201 CD2 LEU A 81 -12.348 15.791 13.872 1.00 0.00 C ATOM 0 H LEU A 81 -15.563 15.422 12.125 1.00 0.00 H new ATOM 0 HA LEU A 81 -14.660 14.683 14.720 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -15.377 17.390 13.542 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -14.470 17.135 15.019 1.00 0.00 H new ATOM 0 HG LEU A 81 -13.582 16.357 12.227 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.885 18.113 12.549 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -13.537 18.771 12.618 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.615 18.524 14.120 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.427 15.805 13.289 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.139 16.124 14.889 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -12.746 14.776 13.897 1.00 0.00 H new ATOM 1213 N HIS A 82 -17.653 16.064 14.475 1.00 0.00 N ATOM 1214 CA HIS A 82 -18.912 16.262 15.183 1.00 0.00 C ATOM 1215 C HIS A 82 -19.414 14.950 15.777 1.00 0.00 C ATOM 1216 O HIS A 82 -19.810 14.895 16.941 1.00 0.00 O ATOM 1217 CB HIS A 82 -19.966 16.845 14.240 1.00 0.00 C ATOM 1218 CG HIS A 82 -21.220 17.275 14.936 1.00 0.00 C ATOM 1219 ND1 HIS A 82 -22.364 16.505 14.971 1.00 0.00 N ATOM 1220 CD2 HIS A 82 -21.507 18.402 15.628 1.00 0.00 C ATOM 1221 CE1 HIS A 82 -23.300 17.141 15.653 1.00 0.00 C ATOM 1222 NE2 HIS A 82 -22.805 18.295 16.063 1.00 0.00 N ATOM 0 H HIS A 82 -17.659 16.385 13.507 1.00 0.00 H new ATOM 0 HA HIS A 82 -18.735 16.965 15.997 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -19.539 17.700 13.716 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -20.217 16.101 13.484 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -20.839 19.232 15.805 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -24.300 16.779 15.843 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -23.305 18.993 16.613 1.00 0.00 H new ATOM 1230 N ALA A 83 -19.395 13.895 14.969 1.00 0.00 N ATOM 1231 CA ALA A 83 -19.847 12.583 15.415 1.00 0.00 C ATOM 1232 C ALA A 83 -19.161 12.179 16.716 1.00 0.00 C ATOM 1233 O ALA A 83 -19.808 11.697 17.645 1.00 0.00 O ATOM 1234 CB ALA A 83 -19.591 11.541 14.336 1.00 0.00 C ATOM 0 H ALA A 83 -19.071 13.923 14.002 1.00 0.00 H new ATOM 0 HA ALA A 83 -20.919 12.640 15.602 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -19.934 10.566 14.683 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -20.132 11.815 13.430 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -18.523 11.495 14.121 1.00 0.00 H new ATOM 1240 N GLN A 84 -17.848 12.378 16.774 1.00 0.00 N ATOM 1241 CA GLN A 84 -17.075 12.033 17.961 1.00 0.00 C ATOM 1242 C GLN A 84 -17.453 12.929 19.136 1.00 0.00 C ATOM 1243 O GLN A 84 -17.474 12.487 20.286 1.00 0.00 O ATOM 1244 CB GLN A 84 -15.578 12.153 17.673 1.00 0.00 C ATOM 1245 CG GLN A 84 -14.965 10.886 17.100 1.00 0.00 C ATOM 1246 CD GLN A 84 -14.254 10.055 18.150 1.00 0.00 C ATOM 1247 OE1 GLN A 84 -13.567 10.589 19.021 1.00 0.00 O ATOM 1248 NE2 GLN A 84 -14.416 8.739 18.073 1.00 0.00 N ATOM 0 H GLN A 84 -17.298 12.776 16.013 1.00 0.00 H new ATOM 0 HA GLN A 84 -17.305 11.001 18.226 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -15.416 12.973 16.974 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -15.059 12.413 18.595 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -15.748 10.286 16.636 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -14.259 11.152 16.313 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -14.994 8.339 17.334 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -13.962 8.129 18.753 1.00 0.00 H new ATOM 1257 N LEU A 85 -17.750 14.190 18.840 1.00 0.00 N ATOM 1258 CA LEU A 85 -18.127 15.149 19.873 1.00 0.00 C ATOM 1259 C LEU A 85 -19.514 14.837 20.426 1.00 0.00 C ATOM 1260 O LEU A 85 -19.788 15.062 21.605 1.00 0.00 O ATOM 1261 CB LEU A 85 -18.098 16.571 19.310 1.00 0.00 C ATOM 1262 CG LEU A 85 -16.760 17.305 19.409 1.00 0.00 C ATOM 1263 CD1 LEU A 85 -16.750 18.521 18.496 1.00 0.00 C ATOM 1264 CD2 LEU A 85 -16.482 17.714 20.848 1.00 0.00 C ATOM 0 H LEU A 85 -17.737 14.572 17.894 1.00 0.00 H new ATOM 0 HA LEU A 85 -17.406 15.072 20.687 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -18.391 16.531 18.261 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -18.853 17.161 19.829 1.00 0.00 H new ATOM 0 HG LEU A 85 -15.970 16.627 19.086 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -15.790 19.031 18.580 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -16.903 18.203 17.465 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -17.549 19.202 18.788 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -15.526 18.235 20.900 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -17.275 18.375 21.198 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -16.446 16.825 21.478 1.00 0.00 H new ATOM 1276 N ARG A 86 -20.384 14.316 19.567 1.00 0.00 N ATOM 1277 CA ARG A 86 -21.742 13.972 19.970 1.00 0.00 C ATOM 1278 C ARG A 86 -21.734 12.849 21.004 1.00 0.00 C ATOM 1279 O ARG A 86 -22.649 12.737 21.821 1.00 0.00 O ATOM 1280 CB ARG A 86 -22.568 13.552 18.753 1.00 0.00 C ATOM 1281 CG ARG A 86 -23.263 14.713 18.059 1.00 0.00 C ATOM 1282 CD ARG A 86 -24.657 14.328 17.592 1.00 0.00 C ATOM 1283 NE ARG A 86 -25.603 15.432 17.724 1.00 0.00 N ATOM 1284 CZ ARG A 86 -26.094 15.844 18.888 1.00 0.00 C ATOM 1285 NH1 ARG A 86 -25.730 15.245 20.013 1.00 0.00 N ATOM 1286 NH2 ARG A 86 -26.951 16.856 18.927 1.00 0.00 N ATOM 0 H ARG A 86 -20.173 14.123 18.588 1.00 0.00 H new ATOM 0 HA ARG A 86 -22.195 14.855 20.420 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -21.917 13.050 18.038 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -23.318 12.825 19.066 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -23.328 15.560 18.742 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -22.668 15.037 17.205 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -24.615 14.009 16.551 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -25.011 13.476 18.172 1.00 0.00 H new ATOM 0 HE ARG A 86 -25.903 15.913 16.876 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -25.072 14.466 19.986 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -26.108 15.563 20.905 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -27.234 17.319 18.063 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -27.327 17.171 19.821 1.00 0.00 H new ATOM 1300 N ASP A 87 -20.697 12.020 20.962 1.00 0.00 N ATOM 1301 CA ASP A 87 -20.570 10.907 21.895 1.00 0.00 C ATOM 1302 C ASP A 87 -19.858 11.345 23.171 1.00 0.00 C ATOM 1303 O ASP A 87 -20.066 10.770 24.240 1.00 0.00 O ATOM 1304 CB ASP A 87 -19.809 9.752 21.242 1.00 0.00 C ATOM 1305 CG ASP A 87 -20.705 8.569 20.932 1.00 0.00 C ATOM 1306 OD1 ASP A 87 -21.730 8.766 20.246 1.00 0.00 O ATOM 1307 OD2 ASP A 87 -20.382 7.447 21.375 1.00 0.00 O ATOM 0 H ASP A 87 -19.932 12.098 20.292 1.00 0.00 H new ATOM 0 HA ASP A 87 -21.572 10.569 22.158 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -19.343 10.102 20.321 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -19.004 9.431 21.904 1.00 0.00 H new ATOM 1312 N LEU A 88 -19.016 12.366 23.051 1.00 0.00 N ATOM 1313 CA LEU A 88 -18.272 12.882 24.195 1.00 0.00 C ATOM 1314 C LEU A 88 -19.181 13.685 25.119 1.00 0.00 C ATOM 1315 O LEU A 88 -19.158 13.510 26.338 1.00 0.00 O ATOM 1316 CB LEU A 88 -17.109 13.754 23.720 1.00 0.00 C ATOM 1317 CG LEU A 88 -15.954 13.020 23.037 1.00 0.00 C ATOM 1318 CD1 LEU A 88 -15.156 13.976 22.164 1.00 0.00 C ATOM 1319 CD2 LEU A 88 -15.054 12.362 24.072 1.00 0.00 C ATOM 0 H LEU A 88 -18.832 12.853 22.174 1.00 0.00 H new ATOM 0 HA LEU A 88 -17.877 12.033 24.753 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -17.500 14.499 23.027 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -16.712 14.295 24.579 1.00 0.00 H new ATOM 0 HG LEU A 88 -16.371 12.240 22.399 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -14.338 13.436 21.686 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -15.807 14.400 21.399 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -14.750 14.778 22.780 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -14.238 11.844 23.568 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -14.646 13.124 24.736 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -15.633 11.646 24.655 1.00 0.00 H new