USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 399 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 72 ASN : amide:sc= -0.533 X(o=-5.5,f=-6!) USER MOD Set 1.2: A 76 LYS NZ :NH3+ 144:sc= -5.01! (180deg=-2.19!) USER MOD Set 2.1: A 40 TYR OH : rot 28:sc= 0.602 USER MOD Set 2.2: A 77 CYS SG : rot 175:sc= 0.233 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot 144:sc= -4.75 USER MOD Single : A 35 GLN : amide:sc= -6.26! C(o=-6.3!,f=-7.7!) USER MOD Single : A 36 TYR OH : rot 180:sc= -0.513 USER MOD Single : A 38 GLN :FLIP amide:sc= -0.454 F(o=-3.6,f=-0.45) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -1.98 X(o=-2,f=-1.7!) USER MOD Single : A 48 ASN :FLIP amide:sc= -1.98 F(o=-4.3!,f=-2) USER MOD Single : A 53 LYS NZ :NH3+ 145:sc= -3.5! (180deg=-6.17!) USER MOD Single : A 68 CYS SG : rot -24:sc= -2.34! USER MOD Single : A 73 THR OG1 : rot 100:sc= 0.809 USER MOD Single : A 75 ASN : amide:sc= -8.21! C(o=-8.2!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 293 N GLU A 20 4.510 9.133 -2.734 1.00 1.00 N ATOM 294 CA GLU A 20 3.634 8.145 -2.125 1.00 1.00 C ATOM 295 C GLU A 20 2.364 7.985 -2.950 1.00 1.00 C ATOM 296 O GLU A 20 1.881 6.873 -3.151 1.00 1.00 O ATOM 297 CB GLU A 20 3.270 8.572 -0.702 1.00 1.00 C ATOM 298 CG GLU A 20 3.946 7.638 0.300 1.00 1.00 C ATOM 299 CD GLU A 20 3.321 6.249 0.221 1.00 1.00 C ATOM 300 OE1 GLU A 20 2.108 6.171 0.129 1.00 1.00 O ATOM 301 OE2 GLU A 20 4.066 5.284 0.253 1.00 1.00 O ATOM 0 HA GLU A 20 4.159 7.190 -2.091 1.00 1.00 H new ATOM 0 HB2 GLU A 20 3.587 9.600 -0.527 1.00 1.00 H new ATOM 0 HB3 GLU A 20 2.189 8.545 -0.568 1.00 1.00 H new ATOM 0 HG2 GLU A 20 5.014 7.578 0.090 1.00 1.00 H new ATOM 0 HG3 GLU A 20 3.841 8.036 1.309 1.00 1.00 H new ATOM 308 N ALA A 21 1.827 9.107 -3.422 1.00 1.00 N ATOM 309 CA ALA A 21 0.609 9.083 -4.224 1.00 1.00 C ATOM 310 C ALA A 21 0.785 8.208 -5.461 1.00 1.00 C ATOM 311 O ALA A 21 0.040 7.250 -5.666 1.00 1.00 O ATOM 312 CB ALA A 21 0.240 10.501 -4.656 1.00 1.00 C ATOM 0 H ALA A 21 2.213 10.038 -3.264 1.00 1.00 H new ATOM 0 HA ALA A 21 -0.190 8.665 -3.611 1.00 1.00 H new ATOM 0 HB1 ALA A 21 -0.671 10.474 -5.254 1.00 1.00 H new ATOM 0 HB2 ALA A 21 0.076 11.119 -3.773 1.00 1.00 H new ATOM 0 HB3 ALA A 21 1.051 10.923 -5.249 1.00 1.00 H new ATOM 318 N LYS A 22 1.771 8.548 -6.289 1.00 1.00 N ATOM 319 CA LYS A 22 2.023 7.782 -7.506 1.00 1.00 C ATOM 320 C LYS A 22 2.185 6.301 -7.182 1.00 1.00 C ATOM 321 O LYS A 22 1.601 5.446 -7.847 1.00 1.00 O ATOM 322 CB LYS A 22 3.287 8.287 -8.215 1.00 1.00 C ATOM 323 CG LYS A 22 3.400 9.817 -8.112 1.00 1.00 C ATOM 324 CD LYS A 22 2.134 10.492 -8.656 1.00 1.00 C ATOM 325 CE LYS A 22 1.903 10.063 -10.107 1.00 1.00 C ATOM 326 NZ LYS A 22 1.165 11.139 -10.829 1.00 1.00 N ATOM 0 H LYS A 22 2.400 9.337 -6.142 1.00 1.00 H new ATOM 0 HA LYS A 22 1.166 7.915 -8.167 1.00 1.00 H new ATOM 0 HB2 LYS A 22 4.168 7.823 -7.771 1.00 1.00 H new ATOM 0 HB3 LYS A 22 3.264 7.990 -9.263 1.00 1.00 H new ATOM 0 HG2 LYS A 22 3.554 10.106 -7.072 1.00 1.00 H new ATOM 0 HG3 LYS A 22 4.270 10.161 -8.671 1.00 1.00 H new ATOM 0 HD2 LYS A 22 1.274 10.219 -8.045 1.00 1.00 H new ATOM 0 HD3 LYS A 22 2.235 11.576 -8.599 1.00 1.00 H new ATOM 0 HE2 LYS A 22 2.857 9.869 -10.597 1.00 1.00 H new ATOM 0 HE3 LYS A 22 1.335 9.133 -10.137 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 1.007 10.850 -11.815 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 0.249 11.303 -10.365 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 1.724 12.016 -10.811 1.00 1.00 H new ATOM 340 N GLU A 23 2.972 6.006 -6.155 1.00 1.00 N ATOM 341 CA GLU A 23 3.191 4.625 -5.757 1.00 1.00 C ATOM 342 C GLU A 23 1.874 4.021 -5.309 1.00 1.00 C ATOM 343 O GLU A 23 1.470 2.955 -5.775 1.00 1.00 O ATOM 344 CB GLU A 23 4.205 4.558 -4.614 1.00 1.00 C ATOM 345 CG GLU A 23 5.577 4.177 -5.171 1.00 1.00 C ATOM 346 CD GLU A 23 5.611 2.687 -5.496 1.00 1.00 C ATOM 347 OE1 GLU A 23 4.546 2.104 -5.616 1.00 1.00 O ATOM 348 OE2 GLU A 23 6.700 2.152 -5.623 1.00 1.00 O ATOM 0 H GLU A 23 3.464 6.698 -5.589 1.00 1.00 H new ATOM 0 HA GLU A 23 3.584 4.065 -6.605 1.00 1.00 H new ATOM 0 HB2 GLU A 23 4.261 5.521 -4.107 1.00 1.00 H new ATOM 0 HB3 GLU A 23 3.885 3.826 -3.873 1.00 1.00 H new ATOM 0 HG2 GLU A 23 5.789 4.759 -6.068 1.00 1.00 H new ATOM 0 HG3 GLU A 23 6.353 4.417 -4.445 1.00 1.00 H new ATOM 355 N ALA A 24 1.209 4.720 -4.404 1.00 1.00 N ATOM 356 CA ALA A 24 -0.066 4.267 -3.888 1.00 1.00 C ATOM 357 C ALA A 24 -0.943 3.748 -5.016 1.00 1.00 C ATOM 358 O ALA A 24 -1.641 2.752 -4.859 1.00 1.00 O ATOM 359 CB ALA A 24 -0.770 5.417 -3.168 1.00 1.00 C ATOM 0 H ALA A 24 1.534 5.604 -4.013 1.00 1.00 H new ATOM 0 HA ALA A 24 0.110 3.454 -3.183 1.00 1.00 H new ATOM 0 HB1 ALA A 24 -1.729 5.072 -2.781 1.00 1.00 H new ATOM 0 HB2 ALA A 24 -0.149 5.763 -2.342 1.00 1.00 H new ATOM 0 HB3 ALA A 24 -0.935 6.237 -3.867 1.00 1.00 H new ATOM 365 N CYS A 25 -0.904 4.429 -6.152 1.00 1.00 N ATOM 366 CA CYS A 25 -1.705 4.017 -7.302 1.00 1.00 C ATOM 367 C CYS A 25 -0.958 2.982 -8.139 1.00 1.00 C ATOM 368 O CYS A 25 -1.546 2.004 -8.601 1.00 1.00 O ATOM 369 CB CYS A 25 -2.037 5.233 -8.170 1.00 1.00 C ATOM 370 SG CYS A 25 -3.779 5.672 -7.950 1.00 1.00 S ATOM 0 H CYS A 25 -0.334 5.261 -6.305 1.00 1.00 H new ATOM 0 HA CYS A 25 -2.628 3.569 -6.933 1.00 1.00 H new ATOM 0 HB2 CYS A 25 -1.401 6.074 -7.895 1.00 1.00 H new ATOM 0 HB3 CYS A 25 -1.836 5.011 -9.218 1.00 1.00 H new ATOM 0 HG CYS A 25 -3.910 6.964 -7.998 1.00 1.00 H new ATOM 376 N ASP A 26 0.339 3.203 -8.329 1.00 1.00 N ATOM 377 CA ASP A 26 1.152 2.280 -9.112 1.00 1.00 C ATOM 378 C ASP A 26 1.269 0.934 -8.404 1.00 1.00 C ATOM 379 O ASP A 26 1.660 -0.064 -9.009 1.00 1.00 O ATOM 380 CB ASP A 26 2.549 2.867 -9.327 1.00 1.00 C ATOM 381 CG ASP A 26 3.167 2.296 -10.598 1.00 1.00 C ATOM 382 OD1 ASP A 26 3.600 1.156 -10.566 1.00 1.00 O ATOM 383 OD2 ASP A 26 3.206 3.011 -11.586 1.00 1.00 O ATOM 0 H ASP A 26 0.846 4.006 -7.955 1.00 1.00 H new ATOM 0 HA ASP A 26 0.668 2.130 -10.077 1.00 1.00 H new ATOM 0 HB2 ASP A 26 2.489 3.953 -9.399 1.00 1.00 H new ATOM 0 HB3 ASP A 26 3.184 2.639 -8.471 1.00 1.00 H new ATOM 388 N TRP A 27 0.927 0.914 -7.121 1.00 1.00 N ATOM 389 CA TRP A 27 0.998 -0.316 -6.343 1.00 1.00 C ATOM 390 C TRP A 27 -0.294 -1.115 -6.483 1.00 1.00 C ATOM 391 O TRP A 27 -0.268 -2.340 -6.598 1.00 1.00 O ATOM 392 CB TRP A 27 1.246 0.010 -4.868 1.00 1.00 C ATOM 393 CG TRP A 27 1.359 -1.260 -4.089 1.00 1.00 C ATOM 394 CD1 TRP A 27 2.502 -1.960 -3.904 1.00 1.00 C ATOM 395 CD2 TRP A 27 0.313 -1.993 -3.389 1.00 1.00 C ATOM 396 NE1 TRP A 27 2.224 -3.075 -3.135 1.00 1.00 N ATOM 397 CE2 TRP A 27 0.888 -3.140 -2.792 1.00 1.00 C ATOM 398 CE3 TRP A 27 -1.067 -1.775 -3.216 1.00 1.00 C ATOM 399 CZ2 TRP A 27 0.122 -4.040 -2.051 1.00 1.00 C ATOM 400 CZ3 TRP A 27 -1.840 -2.680 -2.470 1.00 1.00 C ATOM 401 CH2 TRP A 27 -1.247 -3.808 -1.888 1.00 1.00 C ATOM 0 H TRP A 27 0.600 1.729 -6.601 1.00 1.00 H new ATOM 0 HA TRP A 27 1.824 -0.917 -6.723 1.00 1.00 H new ATOM 0 HB2 TRP A 27 2.159 0.596 -4.763 1.00 1.00 H new ATOM 0 HB3 TRP A 27 0.430 0.618 -4.477 1.00 1.00 H new ATOM 0 HD1 TRP A 27 3.473 -1.692 -4.293 1.00 1.00 H new ATOM 0 HE1 TRP A 27 2.921 -3.765 -2.855 1.00 1.00 H new ATOM 0 HE3 TRP A 27 -1.534 -0.908 -3.659 1.00 1.00 H new ATOM 0 HZ2 TRP A 27 0.583 -4.910 -1.606 1.00 1.00 H new ATOM 0 HZ3 TRP A 27 -2.898 -2.505 -2.344 1.00 1.00 H new ATOM 0 HH2 TRP A 27 -1.847 -4.498 -1.314 1.00 1.00 H new ATOM 412 N LEU A 28 -1.424 -0.413 -6.473 1.00 1.00 N ATOM 413 CA LEU A 28 -2.721 -1.071 -6.601 1.00 1.00 C ATOM 414 C LEU A 28 -2.674 -2.109 -7.715 1.00 1.00 C ATOM 415 O LEU A 28 -3.262 -3.185 -7.603 1.00 1.00 O ATOM 416 CB LEU A 28 -3.806 -0.030 -6.921 1.00 1.00 C ATOM 417 CG LEU A 28 -4.649 0.316 -5.679 1.00 1.00 C ATOM 418 CD1 LEU A 28 -5.369 -0.928 -5.150 1.00 1.00 C ATOM 419 CD2 LEU A 28 -3.764 0.905 -4.576 1.00 1.00 C ATOM 0 H LEU A 28 -1.469 0.602 -6.379 1.00 1.00 H new ATOM 0 HA LEU A 28 -2.957 -1.565 -5.659 1.00 1.00 H new ATOM 0 HB2 LEU A 28 -3.338 0.876 -7.307 1.00 1.00 H new ATOM 0 HB3 LEU A 28 -4.457 -0.413 -7.707 1.00 1.00 H new ATOM 0 HG LEU A 28 -5.393 1.057 -5.973 1.00 1.00 H new ATOM 0 HD11 LEU A 28 -5.959 -0.662 -4.273 1.00 1.00 H new ATOM 0 HD12 LEU A 28 -6.027 -1.324 -5.923 1.00 1.00 H new ATOM 0 HD13 LEU A 28 -4.634 -1.685 -4.877 1.00 1.00 H new ATOM 0 HD21 LEU A 28 -4.377 1.143 -3.706 1.00 1.00 H new ATOM 0 HD22 LEU A 28 -3.002 0.179 -4.295 1.00 1.00 H new ATOM 0 HD23 LEU A 28 -3.283 1.813 -4.941 1.00 1.00 H new ATOM 431 N ARG A 29 -1.973 -1.773 -8.792 1.00 1.00 N ATOM 432 CA ARG A 29 -1.856 -2.679 -9.929 1.00 1.00 C ATOM 433 C ARG A 29 -0.977 -3.874 -9.578 1.00 1.00 C ATOM 434 O ARG A 29 -1.233 -4.996 -10.016 1.00 1.00 O ATOM 435 CB ARG A 29 -1.256 -1.939 -11.125 1.00 1.00 C ATOM 436 CG ARG A 29 -1.824 -0.520 -11.179 1.00 1.00 C ATOM 437 CD ARG A 29 -1.994 -0.087 -12.637 1.00 1.00 C ATOM 438 NE ARG A 29 -2.523 1.270 -12.704 1.00 1.00 N ATOM 439 CZ ARG A 29 -1.744 2.323 -12.477 1.00 1.00 C ATOM 440 NH1 ARG A 29 -0.486 2.152 -12.181 1.00 1.00 N ATOM 441 NH2 ARG A 29 -2.240 3.528 -12.552 1.00 1.00 N ATOM 0 H ARG A 29 -1.480 -0.887 -8.902 1.00 1.00 H new ATOM 0 HA ARG A 29 -2.853 -3.039 -10.184 1.00 1.00 H new ATOM 0 HB2 ARG A 29 -0.170 -1.905 -11.039 1.00 1.00 H new ATOM 0 HB3 ARG A 29 -1.486 -2.470 -12.049 1.00 1.00 H new ATOM 0 HG2 ARG A 29 -2.784 -0.483 -10.664 1.00 1.00 H new ATOM 0 HG3 ARG A 29 -1.157 0.169 -10.660 1.00 1.00 H new ATOM 0 HD2 ARG A 29 -1.035 -0.136 -13.152 1.00 1.00 H new ATOM 0 HD3 ARG A 29 -2.668 -0.773 -13.151 1.00 1.00 H new ATOM 0 HE ARG A 29 -3.507 1.414 -12.929 1.00 1.00 H new ATOM 0 HH11 ARG A 29 -0.099 1.210 -12.124 1.00 1.00 H new ATOM 0 HH12 ARG A 29 0.111 2.960 -12.007 1.00 1.00 H new ATOM 0 HH21 ARG A 29 -3.224 3.661 -12.785 1.00 1.00 H new ATOM 0 HH22 ARG A 29 -1.643 4.337 -12.378 1.00 1.00 H new ATOM 455 N ALA A 30 0.064 -3.626 -8.789 1.00 1.00 N ATOM 456 CA ALA A 30 0.976 -4.692 -8.393 1.00 1.00 C ATOM 457 C ALA A 30 0.311 -5.617 -7.378 1.00 1.00 C ATOM 458 O ALA A 30 0.859 -6.661 -7.024 1.00 1.00 O ATOM 459 CB ALA A 30 2.247 -4.094 -7.787 1.00 1.00 C ATOM 0 H ALA A 30 0.295 -2.706 -8.415 1.00 1.00 H new ATOM 0 HA ALA A 30 1.235 -5.271 -9.279 1.00 1.00 H new ATOM 0 HB1 ALA A 30 2.923 -4.897 -7.494 1.00 1.00 H new ATOM 0 HB2 ALA A 30 2.737 -3.458 -8.524 1.00 1.00 H new ATOM 0 HB3 ALA A 30 1.988 -3.500 -6.911 1.00 1.00 H new ATOM 465 N ALA A 31 -0.870 -5.226 -6.911 1.00 1.00 N ATOM 466 CA ALA A 31 -1.601 -6.027 -5.937 1.00 1.00 C ATOM 467 C ALA A 31 -2.548 -6.994 -6.639 1.00 1.00 C ATOM 468 O ALA A 31 -3.131 -7.875 -6.009 1.00 1.00 O ATOM 469 CB ALA A 31 -2.401 -5.114 -5.009 1.00 1.00 C ATOM 0 H ALA A 31 -1.339 -4.364 -7.190 1.00 1.00 H new ATOM 0 HA ALA A 31 -0.881 -6.601 -5.354 1.00 1.00 H new ATOM 0 HB1 ALA A 31 -2.945 -5.719 -4.284 1.00 1.00 H new ATOM 0 HB2 ALA A 31 -1.721 -4.443 -4.485 1.00 1.00 H new ATOM 0 HB3 ALA A 31 -3.108 -4.528 -5.596 1.00 1.00 H new ATOM 475 N GLY A 32 -2.698 -6.819 -7.947 1.00 1.00 N ATOM 476 CA GLY A 32 -3.583 -7.678 -8.727 1.00 1.00 C ATOM 477 C GLY A 32 -4.953 -7.032 -8.889 1.00 1.00 C ATOM 478 O GLY A 32 -5.894 -7.658 -9.374 1.00 1.00 O ATOM 0 H GLY A 32 -2.223 -6.096 -8.487 1.00 1.00 H new ATOM 0 HA2 GLY A 32 -3.145 -7.865 -9.708 1.00 1.00 H new ATOM 0 HA3 GLY A 32 -3.687 -8.645 -8.234 1.00 1.00 H new ATOM 482 N PHE A 33 -5.052 -5.773 -8.476 1.00 1.00 N ATOM 483 CA PHE A 33 -6.307 -5.038 -8.574 1.00 1.00 C ATOM 484 C PHE A 33 -6.059 -3.637 -9.131 1.00 1.00 C ATOM 485 O PHE A 33 -6.053 -2.655 -8.388 1.00 1.00 O ATOM 486 CB PHE A 33 -6.956 -4.940 -7.191 1.00 1.00 C ATOM 487 CG PHE A 33 -6.749 -6.237 -6.445 1.00 1.00 C ATOM 488 CD1 PHE A 33 -7.396 -7.403 -6.873 1.00 1.00 C ATOM 489 CD2 PHE A 33 -5.913 -6.274 -5.322 1.00 1.00 C ATOM 490 CE1 PHE A 33 -7.208 -8.604 -6.179 1.00 1.00 C ATOM 491 CE2 PHE A 33 -5.724 -7.474 -4.628 1.00 1.00 C ATOM 492 CZ PHE A 33 -6.372 -8.639 -5.056 1.00 1.00 C ATOM 0 H PHE A 33 -4.281 -5.242 -8.072 1.00 1.00 H new ATOM 0 HA PHE A 33 -6.976 -5.570 -9.250 1.00 1.00 H new ATOM 0 HB2 PHE A 33 -6.521 -4.112 -6.631 1.00 1.00 H new ATOM 0 HB3 PHE A 33 -8.021 -4.732 -7.291 1.00 1.00 H new ATOM 0 HD1 PHE A 33 -8.040 -7.376 -7.739 1.00 1.00 H new ATOM 0 HD2 PHE A 33 -5.414 -5.375 -4.991 1.00 1.00 H new ATOM 0 HE1 PHE A 33 -7.707 -9.503 -6.509 1.00 1.00 H new ATOM 0 HE2 PHE A 33 -5.079 -7.502 -3.763 1.00 1.00 H new ATOM 0 HZ PHE A 33 -6.227 -9.565 -4.520 1.00 1.00 H new ATOM 502 N PRO A 34 -5.844 -3.527 -10.417 1.00 1.00 N ATOM 503 CA PRO A 34 -5.578 -2.221 -11.075 1.00 1.00 C ATOM 504 C PRO A 34 -6.855 -1.424 -11.330 1.00 1.00 C ATOM 505 O PRO A 34 -6.809 -0.330 -11.891 1.00 1.00 O ATOM 506 CB PRO A 34 -4.908 -2.613 -12.391 1.00 1.00 C ATOM 507 CG PRO A 34 -5.395 -3.992 -12.703 1.00 1.00 C ATOM 508 CD PRO A 34 -5.831 -4.637 -11.383 1.00 1.00 C ATOM 0 HA PRO A 34 -4.965 -1.569 -10.453 1.00 1.00 H new ATOM 0 HB2 PRO A 34 -5.172 -1.916 -13.187 1.00 1.00 H new ATOM 0 HB3 PRO A 34 -3.822 -2.594 -12.298 1.00 1.00 H new ATOM 0 HG2 PRO A 34 -6.228 -3.955 -13.405 1.00 1.00 H new ATOM 0 HG3 PRO A 34 -4.607 -4.579 -13.175 1.00 1.00 H new ATOM 0 HD2 PRO A 34 -6.815 -5.097 -11.472 1.00 1.00 H new ATOM 0 HD3 PRO A 34 -5.139 -5.421 -11.077 1.00 1.00 H new ATOM 516 N GLN A 35 -7.990 -1.974 -10.913 1.00 1.00 N ATOM 517 CA GLN A 35 -9.266 -1.295 -11.108 1.00 1.00 C ATOM 518 C GLN A 35 -9.411 -0.136 -10.126 1.00 1.00 C ATOM 519 O GLN A 35 -10.130 0.826 -10.391 1.00 1.00 O ATOM 520 CB GLN A 35 -10.421 -2.279 -10.914 1.00 1.00 C ATOM 521 CG GLN A 35 -10.533 -2.653 -9.434 1.00 1.00 C ATOM 522 CD GLN A 35 -11.408 -1.641 -8.703 1.00 1.00 C ATOM 523 OE1 GLN A 35 -10.960 -1.010 -7.745 1.00 1.00 O ATOM 524 NE2 GLN A 35 -12.637 -1.449 -9.095 1.00 1.00 N ATOM 0 H GLN A 35 -8.054 -2.877 -10.443 1.00 1.00 H new ATOM 0 HA GLN A 35 -9.294 -0.902 -12.124 1.00 1.00 H new ATOM 0 HB2 GLN A 35 -11.354 -1.833 -11.258 1.00 1.00 H new ATOM 0 HB3 GLN A 35 -10.255 -3.174 -11.514 1.00 1.00 H new ATOM 0 HG2 GLN A 35 -10.958 -3.652 -9.334 1.00 1.00 H new ATOM 0 HG3 GLN A 35 -9.542 -2.682 -8.982 1.00 1.00 H new ATOM 0 HE21 GLN A 35 -13.007 -1.972 -9.889 1.00 1.00 H new ATOM 0 HE22 GLN A 35 -13.228 -0.776 -8.608 1.00 1.00 H new ATOM 533 N TYR A 36 -8.725 -0.233 -8.991 1.00 1.00 N ATOM 534 CA TYR A 36 -8.791 0.820 -7.984 1.00 1.00 C ATOM 535 C TYR A 36 -8.058 2.063 -8.470 1.00 1.00 C ATOM 536 O TYR A 36 -8.682 3.087 -8.732 1.00 1.00 O ATOM 537 CB TYR A 36 -8.163 0.344 -6.676 1.00 1.00 C ATOM 538 CG TYR A 36 -9.228 -0.231 -5.771 1.00 1.00 C ATOM 539 CD1 TYR A 36 -10.252 0.592 -5.288 1.00 1.00 C ATOM 540 CD2 TYR A 36 -9.189 -1.583 -5.413 1.00 1.00 C ATOM 541 CE1 TYR A 36 -11.238 0.062 -4.446 1.00 1.00 C ATOM 542 CE2 TYR A 36 -10.174 -2.113 -4.570 1.00 1.00 C ATOM 543 CZ TYR A 36 -11.198 -1.289 -4.087 1.00 1.00 C ATOM 544 OH TYR A 36 -12.169 -1.814 -3.258 1.00 1.00 O ATOM 0 H TYR A 36 -8.124 -1.020 -8.747 1.00 1.00 H new ATOM 0 HA TYR A 36 -9.840 1.063 -7.813 1.00 1.00 H new ATOM 0 HB2 TYR A 36 -7.403 -0.410 -6.881 1.00 1.00 H new ATOM 0 HB3 TYR A 36 -7.662 1.175 -6.180 1.00 1.00 H new ATOM 0 HD1 TYR A 36 -10.282 1.636 -5.565 1.00 1.00 H new ATOM 0 HD2 TYR A 36 -8.399 -2.218 -5.787 1.00 1.00 H new ATOM 0 HE1 TYR A 36 -12.029 0.697 -4.074 1.00 1.00 H new ATOM 0 HE2 TYR A 36 -10.144 -3.156 -4.293 1.00 1.00 H new ATOM 0 HH TYR A 36 -11.993 -2.767 -3.110 1.00 1.00 H new ATOM 554 N ALA A 37 -6.736 1.965 -8.592 1.00 1.00 N ATOM 555 CA ALA A 37 -5.922 3.090 -9.051 1.00 1.00 C ATOM 556 C ALA A 37 -6.654 3.893 -10.120 1.00 1.00 C ATOM 557 O ALA A 37 -6.516 5.112 -10.200 1.00 1.00 O ATOM 558 CB ALA A 37 -4.601 2.574 -9.622 1.00 1.00 C ATOM 0 H ALA A 37 -6.206 1.120 -8.380 1.00 1.00 H new ATOM 0 HA ALA A 37 -5.728 3.740 -8.198 1.00 1.00 H new ATOM 0 HB1 ALA A 37 -3.998 3.416 -9.963 1.00 1.00 H new ATOM 0 HB2 ALA A 37 -4.059 2.029 -8.849 1.00 1.00 H new ATOM 0 HB3 ALA A 37 -4.803 1.909 -10.462 1.00 1.00 H new ATOM 564 N GLN A 38 -7.438 3.200 -10.935 1.00 1.00 N ATOM 565 CA GLN A 38 -8.192 3.857 -11.993 1.00 1.00 C ATOM 566 C GLN A 38 -9.009 5.016 -11.428 1.00 1.00 C ATOM 567 O GLN A 38 -9.067 6.093 -12.019 1.00 1.00 O ATOM 568 CB GLN A 38 -9.123 2.844 -12.657 1.00 1.00 C ATOM 569 CG GLN A 38 -8.763 2.711 -14.137 1.00 1.00 C ATOM 570 CD GLN A 38 -9.012 4.033 -14.856 1.00 1.00 C ATOM 571 OE1 GLN A 38 -9.789 4.927 -14.308 1.00 1.00 O flip ATOM 572 NE2 GLN A 38 -8.487 4.254 -15.947 1.00 1.00 N flip ATOM 0 H GLN A 38 -7.568 2.190 -10.884 1.00 1.00 H new ATOM 0 HA GLN A 38 -7.494 4.253 -12.731 1.00 1.00 H new ATOM 0 HB2 GLN A 38 -9.036 1.876 -12.163 1.00 1.00 H new ATOM 0 HB3 GLN A 38 -10.160 3.164 -12.552 1.00 1.00 H new ATOM 0 HG2 GLN A 38 -7.717 2.423 -14.241 1.00 1.00 H new ATOM 0 HG3 GLN A 38 -9.358 1.921 -14.595 1.00 1.00 H new ATOM 0 HE21 GLN A 38 -7.880 3.553 -16.372 1.00 1.00 H new ATOM 0 HE22 GLN A 38 -8.659 5.138 -16.426 1.00 1.00 H new ATOM 581 N LEU A 39 -9.641 4.783 -10.283 1.00 1.00 N ATOM 582 CA LEU A 39 -10.457 5.810 -9.643 1.00 1.00 C ATOM 583 C LEU A 39 -9.653 7.093 -9.438 1.00 1.00 C ATOM 584 O LEU A 39 -10.184 8.195 -9.583 1.00 1.00 O ATOM 585 CB LEU A 39 -10.972 5.304 -8.291 1.00 1.00 C ATOM 586 CG LEU A 39 -12.367 4.694 -8.455 1.00 1.00 C ATOM 587 CD1 LEU A 39 -12.289 3.479 -9.380 1.00 1.00 C ATOM 588 CD2 LEU A 39 -12.892 4.258 -7.086 1.00 1.00 C ATOM 0 H LEU A 39 -9.605 3.896 -9.780 1.00 1.00 H new ATOM 0 HA LEU A 39 -11.303 6.029 -10.295 1.00 1.00 H new ATOM 0 HB2 LEU A 39 -10.286 4.559 -7.887 1.00 1.00 H new ATOM 0 HB3 LEU A 39 -11.008 6.126 -7.576 1.00 1.00 H new ATOM 0 HG LEU A 39 -13.040 5.435 -8.887 1.00 1.00 H new ATOM 0 HD11 LEU A 39 -13.282 3.046 -9.496 1.00 1.00 H new ATOM 0 HD12 LEU A 39 -11.912 3.788 -10.355 1.00 1.00 H new ATOM 0 HD13 LEU A 39 -11.617 2.736 -8.949 1.00 1.00 H new ATOM 0 HD21 LEU A 39 -13.885 3.823 -7.199 1.00 1.00 H new ATOM 0 HD22 LEU A 39 -12.218 3.517 -6.657 1.00 1.00 H new ATOM 0 HD23 LEU A 39 -12.948 5.123 -6.425 1.00 1.00 H new ATOM 600 N TYR A 40 -8.374 6.949 -9.098 1.00 1.00 N ATOM 601 CA TYR A 40 -7.523 8.115 -8.874 1.00 1.00 C ATOM 602 C TYR A 40 -7.520 9.013 -10.106 1.00 1.00 C ATOM 603 O TYR A 40 -7.930 10.172 -10.040 1.00 1.00 O ATOM 604 CB TYR A 40 -6.091 7.674 -8.554 1.00 1.00 C ATOM 605 CG TYR A 40 -5.240 8.889 -8.264 1.00 1.00 C ATOM 606 CD1 TYR A 40 -5.511 9.682 -7.143 1.00 1.00 C ATOM 607 CD2 TYR A 40 -4.181 9.222 -9.118 1.00 1.00 C ATOM 608 CE1 TYR A 40 -4.722 10.807 -6.873 1.00 1.00 C ATOM 609 CE2 TYR A 40 -3.393 10.347 -8.849 1.00 1.00 C ATOM 610 CZ TYR A 40 -3.662 11.140 -7.726 1.00 1.00 C ATOM 611 OH TYR A 40 -2.884 12.248 -7.461 1.00 1.00 O ATOM 0 H TYR A 40 -7.909 6.050 -8.973 1.00 1.00 H new ATOM 0 HA TYR A 40 -7.921 8.674 -8.027 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -6.090 7.003 -7.695 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -5.675 7.118 -9.394 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -6.329 9.426 -6.486 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -3.973 8.611 -9.984 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -4.931 11.418 -6.007 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -2.577 10.604 -9.508 1.00 1.00 H new ATOM 0 HH TYR A 40 -2.879 12.421 -6.496 1.00 1.00 H new ATOM 621 N GLU A 41 -7.052 8.475 -11.226 1.00 1.00 N ATOM 622 CA GLU A 41 -7.000 9.240 -12.465 1.00 1.00 C ATOM 623 C GLU A 41 -8.316 9.975 -12.703 1.00 1.00 C ATOM 624 O GLU A 41 -8.326 11.099 -13.203 1.00 1.00 O ATOM 625 CB GLU A 41 -6.712 8.306 -13.641 1.00 1.00 C ATOM 626 CG GLU A 41 -5.271 7.802 -13.551 1.00 1.00 C ATOM 627 CD GLU A 41 -5.107 6.531 -14.376 1.00 1.00 C ATOM 628 OE1 GLU A 41 -5.597 6.505 -15.494 1.00 1.00 O ATOM 629 OE2 GLU A 41 -4.492 5.602 -13.880 1.00 1.00 O ATOM 0 H GLU A 41 -6.705 7.519 -11.302 1.00 1.00 H new ATOM 0 HA GLU A 41 -6.201 9.977 -12.381 1.00 1.00 H new ATOM 0 HB2 GLU A 41 -7.404 7.464 -13.629 1.00 1.00 H new ATOM 0 HB3 GLU A 41 -6.866 8.832 -14.583 1.00 1.00 H new ATOM 0 HG2 GLU A 41 -4.586 8.570 -13.912 1.00 1.00 H new ATOM 0 HG3 GLU A 41 -5.011 7.606 -12.511 1.00 1.00 H new ATOM 636 N ASP A 42 -9.424 9.333 -12.344 1.00 1.00 N ATOM 637 CA ASP A 42 -10.738 9.941 -12.527 1.00 1.00 C ATOM 638 C ASP A 42 -11.000 10.985 -11.445 1.00 1.00 C ATOM 639 O ASP A 42 -11.863 11.847 -11.601 1.00 1.00 O ATOM 640 CB ASP A 42 -11.824 8.864 -12.476 1.00 1.00 C ATOM 641 CG ASP A 42 -12.137 8.371 -13.884 1.00 1.00 C ATOM 642 OD1 ASP A 42 -11.201 8.102 -14.620 1.00 1.00 O ATOM 643 OD2 ASP A 42 -13.310 8.271 -14.206 1.00 1.00 O ATOM 0 H ASP A 42 -9.439 8.401 -11.929 1.00 1.00 H new ATOM 0 HA ASP A 42 -10.759 10.431 -13.501 1.00 1.00 H new ATOM 0 HB2 ASP A 42 -11.493 8.031 -11.856 1.00 1.00 H new ATOM 0 HB3 ASP A 42 -12.725 9.267 -12.014 1.00 1.00 H new ATOM 648 N SER A 43 -10.244 10.897 -10.353 1.00 1.00 N ATOM 649 CA SER A 43 -10.388 11.835 -9.242 1.00 1.00 C ATOM 650 C SER A 43 -11.532 11.417 -8.320 1.00 1.00 C ATOM 651 O SER A 43 -12.416 12.215 -8.005 1.00 1.00 O ATOM 652 CB SER A 43 -10.634 13.249 -9.772 1.00 1.00 C ATOM 653 OG SER A 43 -10.070 14.191 -8.870 1.00 1.00 O ATOM 0 H SER A 43 -9.526 10.186 -10.214 1.00 1.00 H new ATOM 0 HA SER A 43 -9.462 11.825 -8.667 1.00 1.00 H new ATOM 0 HB2 SER A 43 -10.189 13.362 -10.760 1.00 1.00 H new ATOM 0 HB3 SER A 43 -11.704 13.428 -9.882 1.00 1.00 H new ATOM 0 HG SER A 43 -10.224 15.099 -9.206 1.00 1.00 H new ATOM 659 N GLN A 44 -11.505 10.162 -7.886 1.00 1.00 N ATOM 660 CA GLN A 44 -12.539 9.646 -6.995 1.00 1.00 C ATOM 661 C GLN A 44 -11.946 8.609 -6.044 1.00 1.00 C ATOM 662 O GLN A 44 -12.420 7.476 -5.962 1.00 1.00 O ATOM 663 CB GLN A 44 -13.675 9.024 -7.815 1.00 1.00 C ATOM 664 CG GLN A 44 -13.097 8.355 -9.063 1.00 1.00 C ATOM 665 CD GLN A 44 -14.197 7.613 -9.814 1.00 1.00 C ATOM 666 OE1 GLN A 44 -15.381 7.818 -9.543 1.00 1.00 O ATOM 667 NE2 GLN A 44 -13.877 6.762 -10.750 1.00 1.00 N ATOM 0 H GLN A 44 -10.783 9.486 -8.135 1.00 1.00 H new ATOM 0 HA GLN A 44 -12.940 10.471 -6.406 1.00 1.00 H new ATOM 0 HB2 GLN A 44 -14.213 8.292 -7.213 1.00 1.00 H new ATOM 0 HB3 GLN A 44 -14.394 9.792 -8.101 1.00 1.00 H new ATOM 0 HG2 GLN A 44 -12.645 9.105 -9.712 1.00 1.00 H new ATOM 0 HG3 GLN A 44 -12.306 7.660 -8.780 1.00 1.00 H new ATOM 0 HE21 GLN A 44 -12.896 6.594 -10.973 1.00 1.00 H new ATOM 0 HE22 GLN A 44 -14.608 6.265 -11.259 1.00 1.00 H new ATOM 676 N PHE A 45 -10.901 9.009 -5.328 1.00 1.00 N ATOM 677 CA PHE A 45 -10.244 8.111 -4.385 1.00 1.00 C ATOM 678 C PHE A 45 -10.755 8.332 -2.974 1.00 1.00 C ATOM 679 O PHE A 45 -10.968 7.372 -2.235 1.00 1.00 O ATOM 680 CB PHE A 45 -8.732 8.317 -4.424 1.00 1.00 C ATOM 681 CG PHE A 45 -8.062 7.037 -4.860 1.00 1.00 C ATOM 682 CD1 PHE A 45 -8.328 6.513 -6.132 1.00 1.00 C ATOM 683 CD2 PHE A 45 -7.176 6.376 -4.002 1.00 1.00 C ATOM 684 CE1 PHE A 45 -7.704 5.330 -6.545 1.00 1.00 C ATOM 685 CE2 PHE A 45 -6.554 5.191 -4.414 1.00 1.00 C ATOM 686 CZ PHE A 45 -6.819 4.668 -5.687 1.00 1.00 C ATOM 0 H PHE A 45 -10.493 9.942 -5.381 1.00 1.00 H new ATOM 0 HA PHE A 45 -10.476 7.088 -4.680 1.00 1.00 H new ATOM 0 HB2 PHE A 45 -8.482 9.124 -5.113 1.00 1.00 H new ATOM 0 HB3 PHE A 45 -8.369 8.613 -3.440 1.00 1.00 H new ATOM 0 HD1 PHE A 45 -9.014 7.021 -6.793 1.00 1.00 H new ATOM 0 HD2 PHE A 45 -6.972 6.780 -3.021 1.00 1.00 H new ATOM 0 HE1 PHE A 45 -7.906 4.928 -7.527 1.00 1.00 H new ATOM 0 HE2 PHE A 45 -5.871 4.681 -3.751 1.00 1.00 H new ATOM 0 HZ PHE A 45 -6.340 3.754 -6.006 1.00 1.00 H new ATOM 696 N PRO A 46 -10.958 9.555 -2.576 1.00 1.00 N ATOM 697 CA PRO A 46 -11.466 9.839 -1.215 1.00 1.00 C ATOM 698 C PRO A 46 -12.877 9.297 -1.050 1.00 1.00 C ATOM 699 O PRO A 46 -13.814 9.763 -1.697 1.00 1.00 O ATOM 700 CB PRO A 46 -11.450 11.372 -1.113 1.00 1.00 C ATOM 701 CG PRO A 46 -10.656 11.862 -2.284 1.00 1.00 C ATOM 702 CD PRO A 46 -10.730 10.775 -3.352 1.00 1.00 C ATOM 0 HA PRO A 46 -10.865 9.369 -0.436 1.00 1.00 H new ATOM 0 HB2 PRO A 46 -12.463 11.774 -1.134 1.00 1.00 H new ATOM 0 HB3 PRO A 46 -10.999 11.695 -0.175 1.00 1.00 H new ATOM 0 HG2 PRO A 46 -11.061 12.802 -2.660 1.00 1.00 H new ATOM 0 HG3 PRO A 46 -9.622 12.053 -1.997 1.00 1.00 H new ATOM 0 HD2 PRO A 46 -11.539 10.960 -4.058 1.00 1.00 H new ATOM 0 HD3 PRO A 46 -9.809 10.717 -3.931 1.00 1.00 H new ATOM 710 N ILE A 47 -13.012 8.310 -0.178 1.00 1.00 N ATOM 711 CA ILE A 47 -14.302 7.683 0.088 1.00 1.00 C ATOM 712 C ILE A 47 -14.175 6.746 1.283 1.00 1.00 C ATOM 713 O ILE A 47 -13.098 6.598 1.859 1.00 1.00 O ATOM 714 CB ILE A 47 -14.771 6.875 -1.140 1.00 1.00 C ATOM 715 CG1 ILE A 47 -13.557 6.231 -1.812 1.00 1.00 C ATOM 716 CG2 ILE A 47 -15.482 7.768 -2.172 1.00 1.00 C ATOM 717 CD1 ILE A 47 -13.950 4.874 -2.395 1.00 1.00 C ATOM 0 H ILE A 47 -12.239 7.922 0.362 1.00 1.00 H new ATOM 0 HA ILE A 47 -15.033 8.463 0.302 1.00 1.00 H new ATOM 0 HB ILE A 47 -15.475 6.119 -0.792 1.00 1.00 H new ATOM 0 HG12 ILE A 47 -13.179 6.881 -2.601 1.00 1.00 H new ATOM 0 HG13 ILE A 47 -12.752 6.107 -1.088 1.00 1.00 H new ATOM 0 HG21 ILE A 47 -15.797 7.162 -3.022 1.00 1.00 H new ATOM 0 HG22 ILE A 47 -16.355 8.231 -1.712 1.00 1.00 H new ATOM 0 HG23 ILE A 47 -14.798 8.545 -2.514 1.00 1.00 H new ATOM 0 HD11 ILE A 47 -13.083 4.418 -2.873 1.00 1.00 H new ATOM 0 HD12 ILE A 47 -14.307 4.224 -1.596 1.00 1.00 H new ATOM 0 HD13 ILE A 47 -14.741 5.010 -3.133 1.00 1.00 H new ATOM 729 N ASN A 48 -15.284 6.118 1.651 1.00 1.00 N ATOM 730 CA ASN A 48 -15.287 5.199 2.779 1.00 1.00 C ATOM 731 C ASN A 48 -14.411 3.985 2.488 1.00 1.00 C ATOM 732 O ASN A 48 -14.877 2.990 1.934 1.00 1.00 O ATOM 733 CB ASN A 48 -16.718 4.746 3.067 1.00 1.00 C ATOM 734 CG ASN A 48 -17.483 4.583 1.759 1.00 1.00 C ATOM 735 OD1 ASN A 48 -16.846 4.218 0.680 1.00 1.00 O flip ATOM 736 ND2 ASN A 48 -18.694 4.803 1.716 1.00 1.00 N flip ATOM 0 H ASN A 48 -16.186 6.227 1.188 1.00 1.00 H new ATOM 0 HA ASN A 48 -14.884 5.715 3.650 1.00 1.00 H new ATOM 0 HB2 ASN A 48 -16.707 3.802 3.612 1.00 1.00 H new ATOM 0 HB3 ASN A 48 -17.219 5.476 3.703 1.00 1.00 H new ATOM 0 HD21 ASN A 48 -19.191 5.088 2.560 1.00 1.00 H new ATOM 0 HD22 ASN A 48 -19.200 4.700 0.836 1.00 1.00 H new ATOM 743 N ILE A 49 -13.138 4.074 2.864 1.00 1.00 N ATOM 744 CA ILE A 49 -12.206 2.974 2.638 1.00 1.00 C ATOM 745 C ILE A 49 -12.792 1.663 3.157 1.00 1.00 C ATOM 746 O ILE A 49 -12.268 0.583 2.888 1.00 1.00 O ATOM 747 CB ILE A 49 -10.879 3.260 3.343 1.00 1.00 C ATOM 748 CG1 ILE A 49 -10.196 4.453 2.661 1.00 1.00 C ATOM 749 CG2 ILE A 49 -9.977 2.025 3.249 1.00 1.00 C ATOM 750 CD1 ILE A 49 -8.969 4.892 3.468 1.00 1.00 C ATOM 0 H ILE A 49 -12.731 4.889 3.323 1.00 1.00 H new ATOM 0 HA ILE A 49 -12.032 2.882 1.566 1.00 1.00 H new ATOM 0 HB ILE A 49 -11.059 3.494 4.392 1.00 1.00 H new ATOM 0 HG12 ILE A 49 -9.896 4.180 1.649 1.00 1.00 H new ATOM 0 HG13 ILE A 49 -10.898 5.282 2.573 1.00 1.00 H new ATOM 0 HG21 ILE A 49 -9.031 2.227 3.751 1.00 1.00 H new ATOM 0 HG22 ILE A 49 -10.469 1.178 3.728 1.00 1.00 H new ATOM 0 HG23 ILE A 49 -9.789 1.790 2.201 1.00 1.00 H new ATOM 0 HD11 ILE A 49 -8.493 5.739 2.974 1.00 1.00 H new ATOM 0 HD12 ILE A 49 -9.279 5.184 4.471 1.00 1.00 H new ATOM 0 HD13 ILE A 49 -8.262 4.065 3.533 1.00 1.00 H new ATOM 762 N VAL A 50 -13.881 1.777 3.906 1.00 1.00 N ATOM 763 CA VAL A 50 -14.542 0.603 4.471 1.00 1.00 C ATOM 764 C VAL A 50 -15.422 -0.088 3.431 1.00 1.00 C ATOM 765 O VAL A 50 -15.416 -1.311 3.316 1.00 1.00 O ATOM 766 CB VAL A 50 -15.397 1.015 5.669 1.00 1.00 C ATOM 767 CG1 VAL A 50 -15.743 -0.222 6.499 1.00 1.00 C ATOM 768 CG2 VAL A 50 -14.614 2.006 6.535 1.00 1.00 C ATOM 0 H VAL A 50 -14.325 2.666 4.137 1.00 1.00 H new ATOM 0 HA VAL A 50 -13.771 -0.098 4.791 1.00 1.00 H new ATOM 0 HB VAL A 50 -16.315 1.484 5.316 1.00 1.00 H new ATOM 0 HG11 VAL A 50 -16.353 0.072 7.353 1.00 1.00 H new ATOM 0 HG12 VAL A 50 -16.298 -0.930 5.883 1.00 1.00 H new ATOM 0 HG13 VAL A 50 -14.825 -0.691 6.853 1.00 1.00 H new ATOM 0 HG21 VAL A 50 -15.222 2.301 7.390 1.00 1.00 H new ATOM 0 HG22 VAL A 50 -13.696 1.535 6.887 1.00 1.00 H new ATOM 0 HG23 VAL A 50 -14.366 2.888 5.945 1.00 1.00 H new ATOM 778 N ALA A 51 -16.193 0.701 2.694 1.00 1.00 N ATOM 779 CA ALA A 51 -17.092 0.150 1.685 1.00 1.00 C ATOM 780 C ALA A 51 -16.320 -0.545 0.563 1.00 1.00 C ATOM 781 O ALA A 51 -16.627 -1.681 0.200 1.00 1.00 O ATOM 782 CB ALA A 51 -17.949 1.267 1.090 1.00 1.00 C ATOM 0 H ALA A 51 -16.215 1.718 2.774 1.00 1.00 H new ATOM 0 HA ALA A 51 -17.726 -0.590 2.174 1.00 1.00 H new ATOM 0 HB1 ALA A 51 -18.618 0.850 0.337 1.00 1.00 H new ATOM 0 HB2 ALA A 51 -18.537 1.734 1.880 1.00 1.00 H new ATOM 0 HB3 ALA A 51 -17.304 2.014 0.628 1.00 1.00 H new ATOM 788 N VAL A 52 -15.336 0.149 0.005 1.00 1.00 N ATOM 789 CA VAL A 52 -14.543 -0.402 -1.093 1.00 1.00 C ATOM 790 C VAL A 52 -13.918 -1.751 -0.732 1.00 1.00 C ATOM 791 O VAL A 52 -14.272 -2.776 -1.312 1.00 1.00 O ATOM 792 CB VAL A 52 -13.445 0.585 -1.498 1.00 1.00 C ATOM 793 CG1 VAL A 52 -13.990 1.539 -2.559 1.00 1.00 C ATOM 794 CG2 VAL A 52 -12.995 1.396 -0.283 1.00 1.00 C ATOM 0 H VAL A 52 -15.067 1.090 0.291 1.00 1.00 H new ATOM 0 HA VAL A 52 -15.220 -0.564 -1.932 1.00 1.00 H new ATOM 0 HB VAL A 52 -12.596 0.029 -1.895 1.00 1.00 H new ATOM 0 HG11 VAL A 52 -13.211 2.243 -2.850 1.00 1.00 H new ATOM 0 HG12 VAL A 52 -14.308 0.969 -3.432 1.00 1.00 H new ATOM 0 HG13 VAL A 52 -14.841 2.086 -2.153 1.00 1.00 H new ATOM 0 HG21 VAL A 52 -12.214 2.095 -0.581 1.00 1.00 H new ATOM 0 HG22 VAL A 52 -13.843 1.950 0.119 1.00 1.00 H new ATOM 0 HG23 VAL A 52 -12.607 0.722 0.481 1.00 1.00 H new ATOM 804 N LYS A 53 -12.980 -1.749 0.208 1.00 1.00 N ATOM 805 CA LYS A 53 -12.316 -2.984 0.609 1.00 1.00 C ATOM 806 C LYS A 53 -13.325 -4.122 0.735 1.00 1.00 C ATOM 807 O LYS A 53 -12.986 -5.289 0.534 1.00 1.00 O ATOM 808 CB LYS A 53 -11.592 -2.781 1.940 1.00 1.00 C ATOM 809 CG LYS A 53 -12.558 -3.025 3.101 1.00 1.00 C ATOM 810 CD LYS A 53 -12.004 -2.378 4.372 1.00 1.00 C ATOM 811 CE LYS A 53 -10.653 -3.003 4.719 1.00 1.00 C ATOM 812 NZ LYS A 53 -9.586 -2.376 3.891 1.00 1.00 N ATOM 0 H LYS A 53 -12.664 -0.915 0.703 1.00 1.00 H new ATOM 0 HA LYS A 53 -11.589 -3.249 -0.158 1.00 1.00 H new ATOM 0 HB2 LYS A 53 -10.745 -3.463 2.011 1.00 1.00 H new ATOM 0 HB3 LYS A 53 -11.191 -1.769 1.995 1.00 1.00 H new ATOM 0 HG2 LYS A 53 -13.538 -2.609 2.866 1.00 1.00 H new ATOM 0 HG3 LYS A 53 -12.695 -4.095 3.255 1.00 1.00 H new ATOM 0 HD2 LYS A 53 -11.892 -1.304 4.226 1.00 1.00 H new ATOM 0 HD3 LYS A 53 -12.703 -2.517 5.197 1.00 1.00 H new ATOM 0 HE2 LYS A 53 -10.436 -2.861 5.778 1.00 1.00 H new ATOM 0 HE3 LYS A 53 -10.681 -4.078 4.541 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 -8.710 -2.308 4.447 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 -9.415 -2.958 3.046 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 -9.886 -1.424 3.601 1.00 1.00 H new ATOM 969 N LEU A 63 -3.398 -8.355 1.499 1.00 1.00 N ATOM 970 CA LEU A 63 -3.521 -7.425 0.384 1.00 1.00 C ATOM 971 C LEU A 63 -4.531 -6.331 0.716 1.00 1.00 C ATOM 972 O LEU A 63 -4.574 -5.291 0.057 1.00 1.00 O ATOM 973 CB LEU A 63 -3.967 -8.174 -0.875 1.00 1.00 C ATOM 974 CG LEU A 63 -2.748 -8.511 -1.743 1.00 1.00 C ATOM 975 CD1 LEU A 63 -3.178 -9.435 -2.885 1.00 1.00 C ATOM 976 CD2 LEU A 63 -2.140 -7.231 -2.334 1.00 1.00 C ATOM 0 HA LEU A 63 -2.549 -6.966 0.204 1.00 1.00 H new ATOM 0 HB2 LEU A 63 -4.491 -9.089 -0.598 1.00 1.00 H new ATOM 0 HB3 LEU A 63 -4.670 -7.564 -1.442 1.00 1.00 H new ATOM 0 HG LEU A 63 -2.001 -9.005 -1.122 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -2.313 -9.676 -3.503 1.00 1.00 H new ATOM 0 HD12 LEU A 63 -3.596 -10.353 -2.472 1.00 1.00 H new ATOM 0 HD13 LEU A 63 -3.931 -8.935 -3.494 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -1.276 -7.488 -2.947 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -2.884 -6.725 -2.949 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -1.827 -6.570 -1.526 1.00 1.00 H new ATOM 988 N VAL A 64 -5.339 -6.574 1.744 1.00 1.00 N ATOM 989 CA VAL A 64 -6.343 -5.602 2.158 1.00 1.00 C ATOM 990 C VAL A 64 -5.714 -4.542 3.056 1.00 1.00 C ATOM 991 O VAL A 64 -6.023 -3.355 2.944 1.00 1.00 O ATOM 992 CB VAL A 64 -7.476 -6.304 2.908 1.00 1.00 C ATOM 993 CG1 VAL A 64 -8.531 -5.275 3.316 1.00 1.00 C ATOM 994 CG2 VAL A 64 -8.120 -7.354 1.999 1.00 1.00 C ATOM 0 H VAL A 64 -5.318 -7.428 2.301 1.00 1.00 H new ATOM 0 HA VAL A 64 -6.747 -5.120 1.268 1.00 1.00 H new ATOM 0 HB VAL A 64 -7.074 -6.789 3.797 1.00 1.00 H new ATOM 0 HG11 VAL A 64 -9.339 -5.775 3.851 1.00 1.00 H new ATOM 0 HG12 VAL A 64 -8.077 -4.525 3.964 1.00 1.00 H new ATOM 0 HG13 VAL A 64 -8.931 -4.791 2.425 1.00 1.00 H new ATOM 0 HG21 VAL A 64 -8.927 -7.853 2.535 1.00 1.00 H new ATOM 0 HG22 VAL A 64 -8.521 -6.868 1.109 1.00 1.00 H new ATOM 0 HG23 VAL A 64 -7.371 -8.089 1.705 1.00 1.00 H new ATOM 1004 N GLU A 65 -4.824 -4.978 3.942 1.00 1.00 N ATOM 1005 CA GLU A 65 -4.149 -4.058 4.848 1.00 1.00 C ATOM 1006 C GLU A 65 -3.402 -2.981 4.059 1.00 1.00 C ATOM 1007 O GLU A 65 -3.741 -1.801 4.144 1.00 1.00 O ATOM 1008 CB GLU A 65 -3.175 -4.817 5.752 1.00 1.00 C ATOM 1009 CG GLU A 65 -3.811 -5.027 7.128 1.00 1.00 C ATOM 1010 CD GLU A 65 -2.875 -5.848 8.008 1.00 1.00 C ATOM 1011 OE1 GLU A 65 -1.976 -5.263 8.590 1.00 1.00 O ATOM 1012 OE2 GLU A 65 -3.062 -7.051 8.078 1.00 1.00 O ATOM 0 H GLU A 65 -4.555 -5.956 4.051 1.00 1.00 H new ATOM 0 HA GLU A 65 -4.902 -3.576 5.471 1.00 1.00 H new ATOM 0 HB2 GLU A 65 -2.923 -5.779 5.306 1.00 1.00 H new ATOM 0 HB3 GLU A 65 -2.244 -4.258 5.852 1.00 1.00 H new ATOM 0 HG2 GLU A 65 -4.014 -4.064 7.596 1.00 1.00 H new ATOM 0 HG3 GLU A 65 -4.768 -5.538 7.023 1.00 1.00 H new ATOM 1019 N PRO A 66 -2.403 -3.353 3.291 1.00 1.00 N ATOM 1020 CA PRO A 66 -1.623 -2.376 2.479 1.00 1.00 C ATOM 1021 C PRO A 66 -2.530 -1.549 1.570 1.00 1.00 C ATOM 1022 O PRO A 66 -2.271 -0.371 1.324 1.00 1.00 O ATOM 1023 CB PRO A 66 -0.659 -3.238 1.652 1.00 1.00 C ATOM 1024 CG PRO A 66 -1.128 -4.648 1.798 1.00 1.00 C ATOM 1025 CD PRO A 66 -1.903 -4.726 3.107 1.00 1.00 C ATOM 0 HA PRO A 66 -1.101 -1.655 3.108 1.00 1.00 H new ATOM 0 HB2 PRO A 66 -0.664 -2.933 0.606 1.00 1.00 H new ATOM 0 HB3 PRO A 66 0.365 -3.130 2.010 1.00 1.00 H new ATOM 0 HG2 PRO A 66 -1.761 -4.933 0.958 1.00 1.00 H new ATOM 0 HG3 PRO A 66 -0.283 -5.336 1.808 1.00 1.00 H new ATOM 0 HD2 PRO A 66 -2.719 -5.446 3.048 1.00 1.00 H new ATOM 0 HD3 PRO A 66 -1.264 -5.035 3.934 1.00 1.00 H new ATOM 1033 N LEU A 67 -3.595 -2.174 1.080 1.00 1.00 N ATOM 1034 CA LEU A 67 -4.540 -1.487 0.207 1.00 1.00 C ATOM 1035 C LEU A 67 -5.163 -0.300 0.937 1.00 1.00 C ATOM 1036 O LEU A 67 -5.398 0.752 0.343 1.00 1.00 O ATOM 1037 CB LEU A 67 -5.632 -2.469 -0.243 1.00 1.00 C ATOM 1038 CG LEU A 67 -6.788 -1.721 -0.921 1.00 1.00 C ATOM 1039 CD1 LEU A 67 -7.239 -2.495 -2.159 1.00 1.00 C ATOM 1040 CD2 LEU A 67 -7.963 -1.611 0.056 1.00 1.00 C ATOM 0 H LEU A 67 -3.825 -3.149 1.271 1.00 1.00 H new ATOM 0 HA LEU A 67 -4.012 -1.114 -0.671 1.00 1.00 H new ATOM 0 HB2 LEU A 67 -5.210 -3.199 -0.934 1.00 1.00 H new ATOM 0 HB3 LEU A 67 -6.006 -3.024 0.617 1.00 1.00 H new ATOM 0 HG LEU A 67 -6.454 -0.725 -1.212 1.00 1.00 H new ATOM 0 HD11 LEU A 67 -8.060 -1.964 -2.641 1.00 1.00 H new ATOM 0 HD12 LEU A 67 -6.406 -2.584 -2.856 1.00 1.00 H new ATOM 0 HD13 LEU A 67 -7.573 -3.490 -1.864 1.00 1.00 H new ATOM 0 HD21 LEU A 67 -8.786 -1.080 -0.423 1.00 1.00 H new ATOM 0 HD22 LEU A 67 -8.293 -2.610 0.342 1.00 1.00 H new ATOM 0 HD23 LEU A 67 -7.647 -1.065 0.945 1.00 1.00 H new ATOM 1052 N CYS A 68 -5.428 -0.476 2.228 1.00 1.00 N ATOM 1053 CA CYS A 68 -6.025 0.589 3.026 1.00 1.00 C ATOM 1054 C CYS A 68 -5.001 1.684 3.315 1.00 1.00 C ATOM 1055 O CYS A 68 -5.363 2.799 3.687 1.00 1.00 O ATOM 1056 CB CYS A 68 -6.552 0.019 4.344 1.00 1.00 C ATOM 1057 SG CYS A 68 -7.012 1.379 5.446 1.00 1.00 S ATOM 0 H CYS A 68 -5.241 -1.338 2.740 1.00 1.00 H new ATOM 0 HA CYS A 68 -6.850 1.022 2.461 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -7.415 -0.620 4.157 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -5.790 -0.603 4.814 1.00 1.00 H new ATOM 0 HG CYS A 68 -6.356 2.450 5.110 1.00 1.00 H new ATOM 1063 N ARG A 69 -3.725 1.357 3.143 1.00 1.00 N ATOM 1064 CA ARG A 69 -2.661 2.323 3.394 1.00 1.00 C ATOM 1065 C ARG A 69 -2.507 3.279 2.214 1.00 1.00 C ATOM 1066 O ARG A 69 -2.269 4.472 2.401 1.00 1.00 O ATOM 1067 CB ARG A 69 -1.339 1.596 3.643 1.00 1.00 C ATOM 1068 CG ARG A 69 -1.026 1.606 5.138 1.00 1.00 C ATOM 1069 CD ARG A 69 -2.182 0.959 5.899 1.00 1.00 C ATOM 1070 NE ARG A 69 -3.020 1.985 6.510 1.00 1.00 N ATOM 1071 CZ ARG A 69 -4.223 1.694 6.991 1.00 1.00 C ATOM 1072 NH1 ARG A 69 -4.673 0.470 6.928 1.00 1.00 N ATOM 1073 NH2 ARG A 69 -4.957 2.633 7.526 1.00 1.00 N ATOM 0 H ARG A 69 -3.404 0.440 2.834 1.00 1.00 H new ATOM 0 HA ARG A 69 -2.928 2.901 4.279 1.00 1.00 H new ATOM 0 HB2 ARG A 69 -1.402 0.570 3.281 1.00 1.00 H new ATOM 0 HB3 ARG A 69 -0.535 2.081 3.089 1.00 1.00 H new ATOM 0 HG2 ARG A 69 -0.100 1.065 5.331 1.00 1.00 H new ATOM 0 HG3 ARG A 69 -0.875 2.629 5.483 1.00 1.00 H new ATOM 0 HD2 ARG A 69 -2.778 0.349 5.220 1.00 1.00 H new ATOM 0 HD3 ARG A 69 -1.793 0.292 6.668 1.00 1.00 H new ATOM 0 HE ARG A 69 -2.676 2.943 6.569 1.00 1.00 H new ATOM 0 HH11 ARG A 69 -4.100 -0.263 6.509 1.00 1.00 H new ATOM 0 HH12 ARG A 69 -5.597 0.247 7.298 1.00 1.00 H new ATOM 0 HH21 ARG A 69 -4.606 3.589 7.574 1.00 1.00 H new ATOM 0 HH22 ARG A 69 -5.881 2.410 7.896 1.00 1.00 H new ATOM 1087 N ARG A 70 -2.645 2.752 1.003 1.00 1.00 N ATOM 1088 CA ARG A 70 -2.520 3.581 -0.192 1.00 1.00 C ATOM 1089 C ARG A 70 -3.755 4.457 -0.361 1.00 1.00 C ATOM 1090 O ARG A 70 -3.647 5.677 -0.482 1.00 1.00 O ATOM 1091 CB ARG A 70 -2.336 2.710 -1.438 1.00 1.00 C ATOM 1092 CG ARG A 70 -1.265 1.637 -1.193 1.00 1.00 C ATOM 1093 CD ARG A 70 -0.053 2.240 -0.476 1.00 1.00 C ATOM 1094 NE ARG A 70 1.078 1.322 -0.552 1.00 1.00 N ATOM 1095 CZ ARG A 70 2.248 1.621 0.002 1.00 1.00 C ATOM 1096 NH1 ARG A 70 2.400 2.749 0.638 1.00 1.00 N ATOM 1097 NH2 ARG A 70 3.245 0.784 -0.090 1.00 1.00 N ATOM 0 H ARG A 70 -2.841 1.767 0.822 1.00 1.00 H new ATOM 0 HA ARG A 70 -1.642 4.216 -0.072 1.00 1.00 H new ATOM 0 HB2 ARG A 70 -3.282 2.235 -1.699 1.00 1.00 H new ATOM 0 HB3 ARG A 70 -2.048 3.333 -2.285 1.00 1.00 H new ATOM 0 HG2 ARG A 70 -1.683 0.828 -0.594 1.00 1.00 H new ATOM 0 HG3 ARG A 70 -0.954 1.203 -2.143 1.00 1.00 H new ATOM 0 HD2 ARG A 70 0.211 3.195 -0.931 1.00 1.00 H new ATOM 0 HD3 ARG A 70 -0.300 2.441 0.567 1.00 1.00 H new ATOM 0 HE ARG A 70 0.969 0.433 -1.040 1.00 1.00 H new ATOM 0 HH11 ARG A 70 1.620 3.403 0.711 1.00 1.00 H new ATOM 0 HH12 ARG A 70 3.299 2.978 1.063 1.00 1.00 H new ATOM 0 HH21 ARG A 70 3.126 -0.099 -0.587 1.00 1.00 H new ATOM 0 HH22 ARG A 70 4.144 1.013 0.335 1.00 1.00 H new ATOM 1111 N LEU A 71 -4.928 3.836 -0.367 1.00 1.00 N ATOM 1112 CA LEU A 71 -6.165 4.589 -0.518 1.00 1.00 C ATOM 1113 C LEU A 71 -6.199 5.735 0.484 1.00 1.00 C ATOM 1114 O LEU A 71 -6.341 6.896 0.104 1.00 1.00 O ATOM 1115 CB LEU A 71 -7.371 3.668 -0.313 1.00 1.00 C ATOM 1116 CG LEU A 71 -7.446 2.665 -1.473 1.00 1.00 C ATOM 1117 CD1 LEU A 71 -8.194 1.412 -1.019 1.00 1.00 C ATOM 1118 CD2 LEU A 71 -8.186 3.283 -2.667 1.00 1.00 C ATOM 0 H LEU A 71 -5.048 2.828 -0.271 1.00 1.00 H new ATOM 0 HA LEU A 71 -6.210 5.001 -1.526 1.00 1.00 H new ATOM 0 HB2 LEU A 71 -7.282 3.139 0.636 1.00 1.00 H new ATOM 0 HB3 LEU A 71 -8.288 4.255 -0.265 1.00 1.00 H new ATOM 0 HG LEU A 71 -6.431 2.405 -1.775 1.00 1.00 H new ATOM 0 HD11 LEU A 71 -8.247 0.701 -1.843 1.00 1.00 H new ATOM 0 HD12 LEU A 71 -7.667 0.957 -0.180 1.00 1.00 H new ATOM 0 HD13 LEU A 71 -9.203 1.683 -0.709 1.00 1.00 H new ATOM 0 HD21 LEU A 71 -8.231 2.560 -3.481 1.00 1.00 H new ATOM 0 HD22 LEU A 71 -9.198 3.555 -2.367 1.00 1.00 H new ATOM 0 HD23 LEU A 71 -7.655 4.174 -3.002 1.00 1.00 H new ATOM 1130 N ASN A 72 -6.046 5.406 1.760 1.00 1.00 N ATOM 1131 CA ASN A 72 -6.047 6.425 2.801 1.00 1.00 C ATOM 1132 C ASN A 72 -5.077 7.546 2.441 1.00 1.00 C ATOM 1133 O ASN A 72 -5.374 8.722 2.640 1.00 1.00 O ATOM 1134 CB ASN A 72 -5.640 5.802 4.137 1.00 1.00 C ATOM 1135 CG ASN A 72 -5.892 6.788 5.273 1.00 1.00 C ATOM 1136 OD1 ASN A 72 -6.869 7.535 5.243 1.00 1.00 O ATOM 1137 ND2 ASN A 72 -5.067 6.829 6.282 1.00 1.00 N ATOM 0 H ASN A 72 -5.921 4.451 2.097 1.00 1.00 H new ATOM 0 HA ASN A 72 -7.052 6.839 2.887 1.00 1.00 H new ATOM 0 HB2 ASN A 72 -6.206 4.886 4.308 1.00 1.00 H new ATOM 0 HB3 ASN A 72 -4.586 5.525 4.112 1.00 1.00 H new ATOM 0 HD21 ASN A 72 -5.231 7.481 7.049 1.00 1.00 H new ATOM 0 HD22 ASN A 72 -4.258 6.209 6.305 1.00 1.00 H new ATOM 1144 N THR A 73 -3.917 7.172 1.909 1.00 1.00 N ATOM 1145 CA THR A 73 -2.911 8.158 1.524 1.00 1.00 C ATOM 1146 C THR A 73 -3.404 8.993 0.349 1.00 1.00 C ATOM 1147 O THR A 73 -3.560 10.208 0.461 1.00 1.00 O ATOM 1148 CB THR A 73 -1.609 7.452 1.139 1.00 1.00 C ATOM 1149 OG1 THR A 73 -1.215 6.581 2.190 1.00 1.00 O ATOM 1150 CG2 THR A 73 -0.511 8.488 0.895 1.00 1.00 C ATOM 0 H THR A 73 -3.651 6.203 1.736 1.00 1.00 H new ATOM 0 HA THR A 73 -2.730 8.816 2.374 1.00 1.00 H new ATOM 0 HB THR A 73 -1.767 6.876 0.227 1.00 1.00 H new ATOM 0 HG1 THR A 73 -1.471 5.662 1.966 1.00 1.00 H new ATOM 0 HG21 THR A 73 0.414 7.980 0.621 1.00 1.00 H new ATOM 0 HG22 THR A 73 -0.812 9.154 0.087 1.00 1.00 H new ATOM 0 HG23 THR A 73 -0.351 9.069 1.803 1.00 1.00 H new ATOM 1158 N LEU A 74 -3.648 8.332 -0.776 1.00 1.00 N ATOM 1159 CA LEU A 74 -4.124 9.026 -1.966 1.00 1.00 C ATOM 1160 C LEU A 74 -5.343 9.879 -1.633 1.00 1.00 C ATOM 1161 O LEU A 74 -5.507 10.978 -2.162 1.00 1.00 O ATOM 1162 CB LEU A 74 -4.489 8.008 -3.049 1.00 1.00 C ATOM 1163 CG LEU A 74 -3.319 7.838 -4.024 1.00 1.00 C ATOM 1164 CD1 LEU A 74 -3.595 6.652 -4.953 1.00 1.00 C ATOM 1165 CD2 LEU A 74 -3.151 9.107 -4.869 1.00 1.00 C ATOM 0 H LEU A 74 -3.526 7.326 -0.889 1.00 1.00 H new ATOM 0 HA LEU A 74 -3.329 9.676 -2.332 1.00 1.00 H new ATOM 0 HB2 LEU A 74 -4.734 7.050 -2.591 1.00 1.00 H new ATOM 0 HB3 LEU A 74 -5.377 8.340 -3.588 1.00 1.00 H new ATOM 0 HG LEU A 74 -2.407 7.659 -3.454 1.00 1.00 H new ATOM 0 HD11 LEU A 74 -2.763 6.531 -5.646 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -3.708 5.744 -4.360 1.00 1.00 H new ATOM 0 HD13 LEU A 74 -4.511 6.835 -5.514 1.00 1.00 H new ATOM 0 HD21 LEU A 74 -2.317 8.977 -5.559 1.00 1.00 H new ATOM 0 HD22 LEU A 74 -4.065 9.291 -5.434 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -2.952 9.956 -4.215 1.00 1.00 H new ATOM 1177 N ASN A 75 -6.195 9.366 -0.749 1.00 1.00 N ATOM 1178 CA ASN A 75 -7.395 10.093 -0.349 1.00 1.00 C ATOM 1179 C ASN A 75 -7.021 11.449 0.238 1.00 1.00 C ATOM 1180 O ASN A 75 -7.737 12.435 0.059 1.00 1.00 O ATOM 1181 CB ASN A 75 -8.180 9.285 0.688 1.00 1.00 C ATOM 1182 CG ASN A 75 -8.700 7.998 0.062 1.00 1.00 C ATOM 1183 OD1 ASN A 75 -8.869 7.919 -1.154 1.00 1.00 O ATOM 1184 ND2 ASN A 75 -8.959 6.972 0.828 1.00 1.00 N ATOM 0 H ASN A 75 -6.078 8.458 -0.300 1.00 1.00 H new ATOM 0 HA ASN A 75 -8.017 10.246 -1.231 1.00 1.00 H new ATOM 0 HB2 ASN A 75 -7.541 9.052 1.539 1.00 1.00 H new ATOM 0 HB3 ASN A 75 -9.013 9.877 1.067 1.00 1.00 H new ATOM 0 HD21 ASN A 75 -9.302 6.103 0.418 1.00 1.00 H new ATOM 0 HD22 ASN A 75 -8.818 7.040 1.836 1.00 1.00 H new ATOM 1191 N LYS A 76 -5.891 11.490 0.937 1.00 1.00 N ATOM 1192 CA LYS A 76 -5.422 12.728 1.545 1.00 1.00 C ATOM 1193 C LYS A 76 -4.765 13.617 0.496 1.00 1.00 C ATOM 1194 O LYS A 76 -4.602 14.821 0.698 1.00 1.00 O ATOM 1195 CB LYS A 76 -4.410 12.410 2.645 1.00 1.00 C ATOM 1196 CG LYS A 76 -5.135 11.790 3.838 1.00 1.00 C ATOM 1197 CD LYS A 76 -4.127 11.484 4.948 1.00 1.00 C ATOM 1198 CE LYS A 76 -4.396 10.087 5.512 1.00 1.00 C ATOM 1199 NZ LYS A 76 -3.916 9.058 4.548 1.00 1.00 N ATOM 0 H LYS A 76 -5.286 10.684 1.095 1.00 1.00 H new ATOM 0 HA LYS A 76 -6.276 13.253 1.972 1.00 1.00 H new ATOM 0 HB2 LYS A 76 -3.652 11.723 2.269 1.00 1.00 H new ATOM 0 HB3 LYS A 76 -3.893 13.319 2.952 1.00 1.00 H new ATOM 0 HG2 LYS A 76 -5.901 12.473 4.206 1.00 1.00 H new ATOM 0 HG3 LYS A 76 -5.644 10.876 3.532 1.00 1.00 H new ATOM 0 HD2 LYS A 76 -3.111 11.540 4.557 1.00 1.00 H new ATOM 0 HD3 LYS A 76 -4.205 12.229 5.740 1.00 1.00 H new ATOM 0 HE2 LYS A 76 -3.890 9.967 6.470 1.00 1.00 H new ATOM 0 HE3 LYS A 76 -5.462 9.957 5.697 1.00 1.00 H new ATOM 0 HZ1 LYS A 76 -3.526 8.248 5.071 1.00 1.00 H new ATOM 0 HZ2 LYS A 76 -4.710 8.739 3.957 1.00 1.00 H new ATOM 0 HZ3 LYS A 76 -3.176 9.468 3.942 1.00 1.00 H new ATOM 1213 N CYS A 77 -4.387 13.010 -0.622 1.00 1.00 N ATOM 1214 CA CYS A 77 -3.743 13.746 -1.701 1.00 1.00 C ATOM 1215 C CYS A 77 -4.761 14.157 -2.759 1.00 1.00 C ATOM 1216 O CYS A 77 -4.573 15.151 -3.462 1.00 1.00 O ATOM 1217 CB CYS A 77 -2.661 12.873 -2.336 1.00 1.00 C ATOM 1218 SG CYS A 77 -2.935 12.771 -4.122 1.00 1.00 S ATOM 0 H CYS A 77 -4.515 12.015 -0.804 1.00 1.00 H new ATOM 0 HA CYS A 77 -3.293 14.649 -1.289 1.00 1.00 H new ATOM 0 HB2 CYS A 77 -1.675 13.292 -2.132 1.00 1.00 H new ATOM 0 HB3 CYS A 77 -2.680 11.875 -1.897 1.00 1.00 H new ATOM 0 HG CYS A 77 -1.958 12.115 -4.674 1.00 1.00 H new ATOM 1224 N ALA A 78 -5.837 13.386 -2.871 1.00 1.00 N ATOM 1225 CA ALA A 78 -6.877 13.683 -3.849 1.00 1.00 C ATOM 1226 C ALA A 78 -7.823 14.755 -3.318 1.00 1.00 C ATOM 1227 O ALA A 78 -8.897 14.981 -3.874 1.00 1.00 O ATOM 1228 CB ALA A 78 -7.669 12.416 -4.172 1.00 1.00 C ATOM 0 H ALA A 78 -6.011 12.558 -2.302 1.00 1.00 H new ATOM 0 HA ALA A 78 -6.399 14.053 -4.756 1.00 1.00 H new ATOM 0 HB1 ALA A 78 -8.443 12.648 -4.903 1.00 1.00 H new ATOM 0 HB2 ALA A 78 -6.997 11.662 -4.581 1.00 1.00 H new ATOM 0 HB3 ALA A 78 -8.132 12.034 -3.262 1.00 1.00 H new