USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 565 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 Single : A 768 TYR OH : rot 180:sc= 0 USER MOD Single : A 769 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 779 THR OG1 : rot 100:sc= 1.27 USER MOD Single : A 801 GLN : amide:sc= -0.211 K(o=-0.21,f=-1.2) USER MOD Single : A 802 TYR OH : rot 180:sc= 0 USER MOD Single : A 804 SER OG : rot 180:sc= 0 USER MOD Single : A 805 GLN : amide:sc= -0.603 K(o=-0.6,f=-2.8) USER MOD Single : A 808 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 809 ASN : amide:sc= -0.008 X(o=-0.008,f=0) USER MOD Single : A 810 SER OG : rot 180:sc= 0 USER MOD Single : A 813 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 816 ASN : amide:sc=-0.00826 K(o=-0.0083,f=-1.4) USER MOD Single : A 818 THR OG1 : rot 100:sc= 1.31 USER MOD Single : A 826 THR OG1 : rot 32:sc= 0.339 USER MOD Single : A 834 GLN : amide:sc= -4.04! C(o=-4!,f=-5.8!) USER MOD Single : A 837 TYR OH : rot 180:sc= 0 USER MOD Single : A 842 HIS : no HE2:sc= -1.74 K(o=-1.7,f=-3) USER MOD Single : A 849 GLN : amide:sc=-0.00546 K(o=-0.0055,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 261 N TYR A 768 8.971 19.817 -15.572 1.00 75.14 N ATOM 262 CA TYR A 768 9.084 20.628 -16.778 1.00 43.25 C ATOM 263 C TYR A 768 7.708 20.931 -17.363 1.00 60.23 C ATOM 264 O TYR A 768 7.347 22.091 -17.563 1.00 73.02 O ATOM 265 CB TYR A 768 9.947 19.913 -17.820 1.00 2.53 C ATOM 266 CG TYR A 768 9.986 20.615 -19.159 1.00 21.14 C ATOM 267 CD1 TYR A 768 9.834 19.903 -20.342 1.00 44.23 C ATOM 268 CD2 TYR A 768 10.175 21.989 -19.240 1.00 64.12 C ATOM 269 CE1 TYR A 768 9.870 20.540 -21.568 1.00 71.50 C ATOM 270 CE2 TYR A 768 10.211 22.634 -20.461 1.00 73.23 C ATOM 271 CZ TYR A 768 10.058 21.905 -21.622 1.00 73.12 C ATOM 272 OH TYR A 768 10.094 22.543 -22.841 1.00 12.43 O ATOM 0 HA TYR A 768 9.559 21.571 -16.507 1.00 43.25 H new ATOM 0 HB2 TYR A 768 10.963 19.822 -17.437 1.00 2.53 H new ATOM 0 HB3 TYR A 768 9.568 18.901 -17.961 1.00 2.53 H new ATOM 0 HD1 TYR A 768 9.685 18.834 -20.303 1.00 44.23 H new ATOM 0 HD2 TYR A 768 10.296 22.563 -18.333 1.00 64.12 H new ATOM 0 HE1 TYR A 768 9.752 19.972 -22.479 1.00 71.50 H new ATOM 0 HE2 TYR A 768 10.358 23.703 -20.506 1.00 73.23 H new ATOM 0 HH TYR A 768 10.233 23.503 -22.704 1.00 12.43 H new ATOM 282 N HIS A 769 6.943 19.878 -17.635 1.00 44.03 N ATOM 283 CA HIS A 769 5.605 20.029 -18.196 1.00 45.43 C ATOM 284 C HIS A 769 4.769 20.988 -17.354 1.00 53.04 C ATOM 285 O HIS A 769 3.988 21.778 -17.887 1.00 24.42 O ATOM 286 CB HIS A 769 4.910 18.671 -18.285 1.00 62.44 C ATOM 287 CG HIS A 769 5.335 17.857 -19.469 1.00 51.00 C ATOM 288 ND1 HIS A 769 6.623 17.859 -19.961 1.00 2.24 N ATOM 289 CD2 HIS A 769 4.634 17.011 -20.259 1.00 72.40 C ATOM 290 CE1 HIS A 769 6.696 17.051 -21.003 1.00 32.42 C ATOM 291 NE2 HIS A 769 5.502 16.523 -21.205 1.00 30.35 N ATOM 0 H HIS A 769 7.227 18.911 -17.476 1.00 44.03 H new ATOM 0 HA HIS A 769 5.703 20.444 -19.199 1.00 45.43 H new ATOM 0 HB2 HIS A 769 5.114 18.107 -17.375 1.00 62.44 H new ATOM 0 HB3 HIS A 769 3.832 18.826 -18.329 1.00 62.44 H new ATOM 0 HD2 HIS A 769 3.587 16.765 -20.163 1.00 72.40 H new ATOM 0 HE1 HIS A 769 7.581 16.855 -21.590 1.00 32.42 H new ATOM 0 HE2 HIS A 769 5.264 15.861 -21.943 1.00 30.35 H new ATOM 299 N ARG A 770 4.936 20.913 -16.038 1.00 62.52 N ATOM 300 CA ARG A 770 4.195 21.772 -15.123 1.00 70.01 C ATOM 301 C ARG A 770 4.563 23.238 -15.336 1.00 33.45 C ATOM 302 O ARG A 770 3.701 24.070 -15.620 1.00 53.21 O ATOM 303 CB ARG A 770 4.474 21.370 -13.674 1.00 14.14 C ATOM 304 CG ARG A 770 4.299 22.508 -12.682 1.00 1.44 C ATOM 305 CD ARG A 770 4.519 22.040 -11.252 1.00 33.13 C ATOM 306 NE ARG A 770 5.929 21.783 -10.970 1.00 55.12 N ATOM 307 CZ ARG A 770 6.827 22.743 -10.783 1.00 43.21 C ATOM 308 NH1 ARG A 770 6.465 24.017 -10.847 1.00 34.13 N ATOM 309 NH2 ARG A 770 8.092 22.430 -10.531 1.00 72.11 N ATOM 0 H ARG A 770 5.578 20.266 -15.581 1.00 62.52 H new ATOM 0 HA ARG A 770 3.132 21.649 -15.328 1.00 70.01 H new ATOM 0 HB2 ARG A 770 3.808 20.553 -13.398 1.00 14.14 H new ATOM 0 HB3 ARG A 770 5.493 20.989 -13.601 1.00 14.14 H new ATOM 0 HG2 ARG A 770 5.002 23.308 -12.916 1.00 1.44 H new ATOM 0 HG3 ARG A 770 3.297 22.926 -12.779 1.00 1.44 H new ATOM 0 HD2 ARG A 770 4.143 22.795 -10.562 1.00 33.13 H new ATOM 0 HD3 ARG A 770 3.943 21.132 -11.075 1.00 33.13 H new ATOM 0 HE ARG A 770 6.241 20.813 -10.914 1.00 55.12 H new ATOM 0 HH11 ARG A 770 5.494 24.262 -11.040 1.00 34.13 H new ATOM 0 HH12 ARG A 770 7.158 24.752 -10.703 1.00 34.13 H new ATOM 0 HH21 ARG A 770 8.375 21.451 -10.481 1.00 72.11 H new ATOM 0 HH22 ARG A 770 8.781 23.168 -10.388 1.00 72.11 H new ATOM 323 N LEU A 771 5.847 23.546 -15.195 1.00 1.11 N ATOM 324 CA LEU A 771 6.330 24.911 -15.371 1.00 13.52 C ATOM 325 C LEU A 771 5.836 25.498 -16.689 1.00 73.04 C ATOM 326 O LEU A 771 5.311 26.611 -16.727 1.00 40.01 O ATOM 327 CB LEU A 771 7.858 24.943 -15.327 1.00 24.35 C ATOM 328 CG LEU A 771 8.501 26.330 -15.289 1.00 74.12 C ATOM 329 CD1 LEU A 771 8.453 26.902 -13.881 1.00 45.31 C ATOM 330 CD2 LEU A 771 9.935 26.267 -15.794 1.00 10.33 C ATOM 0 H LEU A 771 6.573 22.869 -14.959 1.00 1.11 H new ATOM 0 HA LEU A 771 5.937 25.516 -14.554 1.00 13.52 H new ATOM 0 HB2 LEU A 771 8.188 24.388 -14.449 1.00 24.35 H new ATOM 0 HB3 LEU A 771 8.238 24.413 -16.200 1.00 24.35 H new ATOM 0 HG LEU A 771 7.935 26.990 -15.946 1.00 74.12 H new ATOM 0 HD11 LEU A 771 8.915 27.889 -13.873 1.00 45.31 H new ATOM 0 HD12 LEU A 771 7.416 26.984 -13.557 1.00 45.31 H new ATOM 0 HD13 LEU A 771 8.994 26.243 -13.202 1.00 45.31 H new ATOM 0 HD21 LEU A 771 10.377 27.263 -15.760 1.00 10.33 H new ATOM 0 HD22 LEU A 771 10.513 25.592 -15.164 1.00 10.33 H new ATOM 0 HD23 LEU A 771 9.943 25.901 -16.821 1.00 10.33 H new ATOM 342 N ARG A 772 6.005 24.741 -17.768 1.00 64.33 N ATOM 343 CA ARG A 772 5.576 25.185 -19.089 1.00 11.13 C ATOM 344 C ARG A 772 4.054 25.256 -19.170 1.00 12.41 C ATOM 345 O ARG A 772 3.499 26.056 -19.924 1.00 2.44 O ATOM 346 CB ARG A 772 6.111 24.241 -20.167 1.00 1.00 C ATOM 347 CG ARG A 772 7.571 24.481 -20.517 1.00 33.25 C ATOM 348 CD ARG A 772 7.764 25.819 -21.213 1.00 62.31 C ATOM 349 NE ARG A 772 9.108 25.957 -21.769 1.00 12.35 N ATOM 350 CZ ARG A 772 9.472 26.950 -22.573 1.00 12.15 C ATOM 351 NH1 ARG A 772 8.597 27.887 -22.913 1.00 21.42 N ATOM 352 NH2 ARG A 772 10.713 27.008 -23.037 1.00 62.34 N ATOM 0 H ARG A 772 6.436 23.817 -17.753 1.00 64.33 H new ATOM 0 HA ARG A 772 5.979 26.183 -19.258 1.00 11.13 H new ATOM 0 HB2 ARG A 772 5.992 23.212 -19.828 1.00 1.00 H new ATOM 0 HB3 ARG A 772 5.507 24.352 -21.068 1.00 1.00 H new ATOM 0 HG2 ARG A 772 8.174 24.452 -19.609 1.00 33.25 H new ATOM 0 HG3 ARG A 772 7.928 23.679 -21.163 1.00 33.25 H new ATOM 0 HD2 ARG A 772 7.029 25.922 -22.011 1.00 62.31 H new ATOM 0 HD3 ARG A 772 7.580 26.626 -20.504 1.00 62.31 H new ATOM 0 HE ARG A 772 9.805 25.253 -21.527 1.00 12.35 H new ATOM 0 HH11 ARG A 772 7.642 27.846 -22.557 1.00 21.42 H new ATOM 0 HH12 ARG A 772 8.879 28.648 -23.530 1.00 21.42 H new ATOM 0 HH21 ARG A 772 11.389 26.290 -22.777 1.00 62.34 H new ATOM 0 HH22 ARG A 772 10.992 27.771 -23.654 1.00 62.34 H new ATOM 366 N ASP A 773 3.385 24.415 -18.390 1.00 31.34 N ATOM 367 CA ASP A 773 1.927 24.382 -18.372 1.00 41.45 C ATOM 368 C ASP A 773 1.363 25.646 -17.729 1.00 60.54 C ATOM 369 O ASP A 773 0.495 26.310 -18.297 1.00 72.44 O ATOM 370 CB ASP A 773 1.432 23.147 -17.619 1.00 70.21 C ATOM 371 CG ASP A 773 -0.079 23.109 -17.499 1.00 61.21 C ATOM 372 OD1 ASP A 773 -0.590 23.307 -16.377 1.00 44.21 O ATOM 373 OD2 ASP A 773 -0.751 22.880 -18.527 1.00 25.21 O ATOM 0 H ASP A 773 3.829 23.746 -17.761 1.00 31.34 H new ATOM 0 HA ASP A 773 1.577 24.333 -19.403 1.00 41.45 H new ATOM 0 HB2 ASP A 773 1.775 22.250 -18.134 1.00 70.21 H new ATOM 0 HB3 ASP A 773 1.873 23.132 -16.622 1.00 70.21 H new ATOM 378 N LEU A 774 1.861 25.971 -16.542 1.00 12.33 N ATOM 379 CA LEU A 774 1.406 27.155 -15.820 1.00 71.30 C ATOM 380 C LEU A 774 1.790 28.429 -16.566 1.00 74.52 C ATOM 381 O LEU A 774 0.983 29.350 -16.699 1.00 71.25 O ATOM 382 CB LEU A 774 2.001 27.177 -14.411 1.00 34.22 C ATOM 383 CG LEU A 774 1.438 28.236 -13.462 1.00 24.44 C ATOM 384 CD1 LEU A 774 -0.024 27.954 -13.153 1.00 61.33 C ATOM 385 CD2 LEU A 774 2.255 28.289 -12.179 1.00 1.23 C ATOM 0 H LEU A 774 2.580 25.432 -16.058 1.00 12.33 H new ATOM 0 HA LEU A 774 0.319 27.111 -15.749 1.00 71.30 H new ATOM 0 HB2 LEU A 774 1.851 26.196 -13.959 1.00 34.22 H new ATOM 0 HB3 LEU A 774 3.077 27.328 -14.495 1.00 34.22 H new ATOM 0 HG LEU A 774 1.503 29.207 -13.952 1.00 24.44 H new ATOM 0 HD11 LEU A 774 -0.407 28.718 -12.476 1.00 61.33 H new ATOM 0 HD12 LEU A 774 -0.600 27.967 -14.078 1.00 61.33 H new ATOM 0 HD13 LEU A 774 -0.114 26.975 -12.683 1.00 61.33 H new ATOM 0 HD21 LEU A 774 1.841 29.048 -11.515 1.00 1.23 H new ATOM 0 HD22 LEU A 774 2.221 27.318 -11.686 1.00 1.23 H new ATOM 0 HD23 LEU A 774 3.289 28.540 -12.416 1.00 1.23 H new ATOM 397 N LEU A 775 3.025 28.473 -17.053 1.00 11.42 N ATOM 398 CA LEU A 775 3.516 29.634 -17.789 1.00 33.45 C ATOM 399 C LEU A 775 2.720 29.841 -19.073 1.00 75.40 C ATOM 400 O LEU A 775 2.347 30.965 -19.411 1.00 42.11 O ATOM 401 CB LEU A 775 5.000 29.464 -18.117 1.00 30.52 C ATOM 402 CG LEU A 775 5.982 30.099 -17.132 1.00 63.12 C ATOM 403 CD1 LEU A 775 5.905 31.616 -17.206 1.00 4.04 C ATOM 404 CD2 LEU A 775 5.704 29.617 -15.716 1.00 25.12 C ATOM 0 H LEU A 775 3.705 27.719 -16.952 1.00 11.42 H new ATOM 0 HA LEU A 775 3.388 30.514 -17.158 1.00 33.45 H new ATOM 0 HB2 LEU A 775 5.218 28.398 -18.180 1.00 30.52 H new ATOM 0 HB3 LEU A 775 5.184 29.886 -19.105 1.00 30.52 H new ATOM 0 HG LEU A 775 6.992 29.793 -17.406 1.00 63.12 H new ATOM 0 HD11 LEU A 775 6.611 32.051 -16.498 1.00 4.04 H new ATOM 0 HD12 LEU A 775 6.154 31.944 -18.215 1.00 4.04 H new ATOM 0 HD13 LEU A 775 4.895 31.942 -16.958 1.00 4.04 H new ATOM 0 HD21 LEU A 775 6.412 30.079 -15.029 1.00 25.12 H new ATOM 0 HD22 LEU A 775 4.689 29.893 -15.431 1.00 25.12 H new ATOM 0 HD23 LEU A 775 5.811 28.533 -15.673 1.00 25.12 H new ATOM 416 N LEU A 776 2.460 28.749 -19.784 1.00 52.11 N ATOM 417 CA LEU A 776 1.705 28.810 -21.031 1.00 61.11 C ATOM 418 C LEU A 776 0.288 29.317 -20.786 1.00 12.43 C ATOM 419 O LEU A 776 -0.160 30.271 -21.424 1.00 23.32 O ATOM 420 CB LEU A 776 1.658 27.430 -21.690 1.00 21.04 C ATOM 421 CG LEU A 776 0.791 27.314 -22.943 1.00 73.25 C ATOM 422 CD1 LEU A 776 1.496 27.934 -24.140 1.00 12.13 C ATOM 423 CD2 LEU A 776 0.447 25.858 -23.221 1.00 34.31 C ATOM 0 H LEU A 776 2.761 27.811 -19.518 1.00 52.11 H new ATOM 0 HA LEU A 776 2.210 29.508 -21.699 1.00 61.11 H new ATOM 0 HB2 LEU A 776 2.676 27.138 -21.949 1.00 21.04 H new ATOM 0 HB3 LEU A 776 1.297 26.711 -20.955 1.00 21.04 H new ATOM 0 HG LEU A 776 -0.137 27.860 -22.771 1.00 73.25 H new ATOM 0 HD11 LEU A 776 0.863 27.842 -25.023 1.00 12.13 H new ATOM 0 HD12 LEU A 776 1.691 28.988 -23.942 1.00 12.13 H new ATOM 0 HD13 LEU A 776 2.440 27.417 -24.314 1.00 12.13 H new ATOM 0 HD21 LEU A 776 -0.171 25.795 -24.117 1.00 34.31 H new ATOM 0 HD22 LEU A 776 1.365 25.290 -23.372 1.00 34.31 H new ATOM 0 HD23 LEU A 776 -0.100 25.445 -22.373 1.00 34.31 H new ATOM 435 N ILE A 777 -0.412 28.676 -19.856 1.00 71.23 N ATOM 436 CA ILE A 777 -1.777 29.065 -19.524 1.00 71.44 C ATOM 437 C ILE A 777 -1.848 30.535 -19.126 1.00 34.34 C ATOM 438 O ILE A 777 -2.558 31.324 -19.748 1.00 54.54 O ATOM 439 CB ILE A 777 -2.345 28.206 -18.379 1.00 64.51 C ATOM 440 CG1 ILE A 777 -2.349 26.728 -18.775 1.00 21.52 C ATOM 441 CG2 ILE A 777 -3.748 28.666 -18.017 1.00 14.54 C ATOM 442 CD1 ILE A 777 -2.267 25.786 -17.594 1.00 63.40 C ATOM 0 H ILE A 777 -0.056 27.885 -19.319 1.00 71.23 H new ATOM 0 HA ILE A 777 -2.378 28.904 -20.419 1.00 71.44 H new ATOM 0 HB ILE A 777 -1.707 28.327 -17.503 1.00 64.51 H new ATOM 0 HG12 ILE A 777 -3.257 26.514 -19.338 1.00 21.52 H new ATOM 0 HG13 ILE A 777 -1.508 26.536 -19.441 1.00 21.52 H new ATOM 0 HG21 ILE A 777 -4.135 28.049 -17.206 1.00 14.54 H new ATOM 0 HG22 ILE A 777 -3.718 29.708 -17.698 1.00 14.54 H new ATOM 0 HG23 ILE A 777 -4.398 28.572 -18.887 1.00 14.54 H new ATOM 0 HD11 ILE A 777 -2.274 24.756 -17.949 1.00 63.40 H new ATOM 0 HD12 ILE A 777 -1.346 25.973 -17.043 1.00 63.40 H new ATOM 0 HD13 ILE A 777 -3.122 25.950 -16.938 1.00 63.40 H new ATOM 454 N VAL A 778 -1.106 30.896 -18.084 1.00 12.32 N ATOM 455 CA VAL A 778 -1.082 32.273 -17.603 1.00 34.51 C ATOM 456 C VAL A 778 -0.788 33.246 -18.738 1.00 44.33 C ATOM 457 O VAL A 778 -1.585 34.139 -19.029 1.00 61.44 O ATOM 458 CB VAL A 778 -0.031 32.461 -16.493 1.00 40.33 C ATOM 459 CG1 VAL A 778 0.013 33.913 -16.041 1.00 22.23 C ATOM 460 CG2 VAL A 778 -0.323 31.537 -15.321 1.00 2.23 C ATOM 0 H VAL A 778 -0.514 30.255 -17.557 1.00 12.32 H new ATOM 0 HA VAL A 778 -2.071 32.484 -17.196 1.00 34.51 H new ATOM 0 HB VAL A 778 0.948 32.201 -16.895 1.00 40.33 H new ATOM 0 HG11 VAL A 778 0.761 34.027 -15.256 1.00 22.23 H new ATOM 0 HG12 VAL A 778 0.274 34.550 -16.887 1.00 22.23 H new ATOM 0 HG13 VAL A 778 -0.964 34.204 -15.656 1.00 22.23 H new ATOM 0 HG21 VAL A 778 0.429 31.683 -14.546 1.00 2.23 H new ATOM 0 HG22 VAL A 778 -1.309 31.763 -14.916 1.00 2.23 H new ATOM 0 HG23 VAL A 778 -0.299 30.501 -15.659 1.00 2.23 H new ATOM 470 N THR A 779 0.364 33.069 -19.378 1.00 41.35 N ATOM 471 CA THR A 779 0.766 33.932 -20.482 1.00 54.31 C ATOM 472 C THR A 779 -0.336 34.031 -21.532 1.00 25.14 C ATOM 473 O THR A 779 -0.683 35.124 -21.980 1.00 31.35 O ATOM 474 CB THR A 779 2.055 33.423 -21.153 1.00 71.35 C ATOM 475 OG1 THR A 779 3.111 33.342 -20.189 1.00 55.43 O ATOM 476 CG2 THR A 779 2.471 34.341 -22.293 1.00 72.40 C ATOM 0 H THR A 779 1.035 32.335 -19.150 1.00 41.35 H new ATOM 0 HA THR A 779 0.951 34.920 -20.060 1.00 54.31 H new ATOM 0 HB THR A 779 1.859 32.431 -21.560 1.00 71.35 H new ATOM 0 HG1 THR A 779 3.209 32.415 -19.888 1.00 55.43 H new ATOM 0 HG21 THR A 779 3.384 33.961 -22.752 1.00 72.40 H new ATOM 0 HG22 THR A 779 1.678 34.377 -23.040 1.00 72.40 H new ATOM 0 HG23 THR A 779 2.650 35.344 -21.906 1.00 72.40 H new ATOM 484 N ARG A 780 -0.881 32.883 -21.920 1.00 34.15 N ATOM 485 CA ARG A 780 -1.944 32.841 -22.917 1.00 65.43 C ATOM 486 C ARG A 780 -3.081 33.786 -22.541 1.00 62.21 C ATOM 487 O ARG A 780 -3.463 34.656 -23.324 1.00 65.14 O ATOM 488 CB ARG A 780 -2.478 31.415 -23.064 1.00 33.23 C ATOM 489 CG ARG A 780 -1.884 30.659 -24.241 1.00 52.43 C ATOM 490 CD ARG A 780 -2.232 31.326 -25.563 1.00 73.43 C ATOM 491 NE ARG A 780 -1.899 30.480 -26.707 1.00 4.54 N ATOM 492 CZ ARG A 780 -1.737 30.944 -27.941 1.00 15.10 C ATOM 493 NH1 ARG A 780 -1.878 32.239 -28.190 1.00 73.31 N ATOM 494 NH2 ARG A 780 -1.434 30.112 -28.929 1.00 53.02 N ATOM 0 H ARG A 780 -0.604 31.970 -21.559 1.00 34.15 H new ATOM 0 HA ARG A 780 -1.527 33.165 -23.870 1.00 65.43 H new ATOM 0 HB2 ARG A 780 -2.271 30.863 -22.147 1.00 33.23 H new ATOM 0 HB3 ARG A 780 -3.562 31.452 -23.177 1.00 33.23 H new ATOM 0 HG2 ARG A 780 -0.801 30.607 -24.132 1.00 52.43 H new ATOM 0 HG3 ARG A 780 -2.254 29.634 -24.241 1.00 52.43 H new ATOM 0 HD2 ARG A 780 -3.297 31.559 -25.582 1.00 73.43 H new ATOM 0 HD3 ARG A 780 -1.697 32.272 -25.644 1.00 73.43 H new ATOM 0 HE ARG A 780 -1.785 29.479 -26.549 1.00 4.54 H new ATOM 0 HH11 ARG A 780 -2.111 32.881 -27.433 1.00 73.31 H new ATOM 0 HH12 ARG A 780 -1.753 32.593 -29.139 1.00 73.31 H new ATOM 0 HH21 ARG A 780 -1.325 29.115 -28.741 1.00 53.02 H new ATOM 0 HH22 ARG A 780 -1.310 30.469 -29.876 1.00 53.02 H new ATOM 508 N ILE A 781 -3.618 33.608 -21.339 1.00 3.02 N ATOM 509 CA ILE A 781 -4.710 34.445 -20.859 1.00 54.13 C ATOM 510 C ILE A 781 -4.305 35.915 -20.829 1.00 63.24 C ATOM 511 O ILE A 781 -5.072 36.790 -21.229 1.00 55.21 O ATOM 512 CB ILE A 781 -5.168 34.022 -19.451 1.00 23.31 C ATOM 513 CG1 ILE A 781 -5.613 32.558 -19.454 1.00 62.21 C ATOM 514 CG2 ILE A 781 -6.294 34.922 -18.967 1.00 11.43 C ATOM 515 CD1 ILE A 781 -6.771 32.280 -20.387 1.00 1.42 C ATOM 0 H ILE A 781 -3.314 32.891 -20.680 1.00 3.02 H new ATOM 0 HA ILE A 781 -5.537 34.313 -21.556 1.00 54.13 H new ATOM 0 HB ILE A 781 -4.327 34.125 -18.766 1.00 23.31 H new ATOM 0 HG12 ILE A 781 -4.769 31.931 -19.739 1.00 62.21 H new ATOM 0 HG13 ILE A 781 -5.896 32.271 -18.441 1.00 62.21 H new ATOM 0 HG21 ILE A 781 -6.606 34.610 -17.970 1.00 11.43 H new ATOM 0 HG22 ILE A 781 -5.945 35.954 -18.931 1.00 11.43 H new ATOM 0 HG23 ILE A 781 -7.139 34.848 -19.652 1.00 11.43 H new ATOM 0 HD11 ILE A 781 -7.033 31.223 -20.337 1.00 1.42 H new ATOM 0 HD12 ILE A 781 -7.630 32.881 -20.089 1.00 1.42 H new ATOM 0 HD13 ILE A 781 -6.486 32.536 -21.407 1.00 1.42 H new ATOM 527 N VAL A 782 -3.092 36.179 -20.354 1.00 64.34 N ATOM 528 CA VAL A 782 -2.582 37.542 -20.275 1.00 44.30 C ATOM 529 C VAL A 782 -2.634 38.229 -21.635 1.00 60.43 C ATOM 530 O VAL A 782 -3.019 39.393 -21.739 1.00 71.32 O ATOM 531 CB VAL A 782 -1.133 37.570 -19.754 1.00 4.14 C ATOM 532 CG1 VAL A 782 -0.610 38.998 -19.704 1.00 70.23 C ATOM 533 CG2 VAL A 782 -1.047 36.915 -18.383 1.00 71.35 C ATOM 0 H VAL A 782 -2.444 35.466 -20.018 1.00 64.34 H new ATOM 0 HA VAL A 782 -3.223 38.079 -19.575 1.00 44.30 H new ATOM 0 HB VAL A 782 -0.507 37.003 -20.443 1.00 4.14 H new ATOM 0 HG11 VAL A 782 0.415 38.997 -19.333 1.00 70.23 H new ATOM 0 HG12 VAL A 782 -0.634 39.429 -20.705 1.00 70.23 H new ATOM 0 HG13 VAL A 782 -1.236 39.592 -19.038 1.00 70.23 H new ATOM 0 HG21 VAL A 782 -0.016 36.944 -18.030 1.00 71.35 H new ATOM 0 HG22 VAL A 782 -1.686 37.453 -17.682 1.00 71.35 H new ATOM 0 HG23 VAL A 782 -1.378 35.879 -18.453 1.00 71.35 H new ATOM 543 N GLU A 783 -2.244 37.499 -22.676 1.00 32.32 N ATOM 544 CA GLU A 783 -2.247 38.038 -24.030 1.00 43.44 C ATOM 545 C GLU A 783 -3.650 38.000 -24.629 1.00 0.13 C ATOM 546 O GLU A 783 -3.979 38.785 -25.519 1.00 14.21 O ATOM 547 CB GLU A 783 -1.280 37.252 -24.918 1.00 72.14 C ATOM 548 CG GLU A 783 -0.861 37.999 -26.173 1.00 1.50 C ATOM 549 CD GLU A 783 0.374 37.404 -26.822 1.00 35.12 C ATOM 550 OE1 GLU A 783 0.660 36.215 -26.570 1.00 72.54 O ATOM 551 OE2 GLU A 783 1.053 38.127 -27.580 1.00 61.52 O ATOM 0 H GLU A 783 -1.922 36.534 -22.607 1.00 32.32 H new ATOM 0 HA GLU A 783 -1.921 39.077 -23.980 1.00 43.44 H new ATOM 0 HB2 GLU A 783 -0.390 37.003 -24.340 1.00 72.14 H new ATOM 0 HB3 GLU A 783 -1.748 36.310 -25.205 1.00 72.14 H new ATOM 0 HG2 GLU A 783 -1.683 37.989 -26.889 1.00 1.50 H new ATOM 0 HG3 GLU A 783 -0.668 39.042 -25.923 1.00 1.50 H new ATOM 850 N LEU A 800 -19.672 48.739 -11.310 1.00 14.53 N ATOM 851 CA LEU A 800 -19.427 49.838 -10.381 1.00 61.42 C ATOM 852 C LEU A 800 -20.587 50.828 -10.390 1.00 34.53 C ATOM 853 O LEU A 800 -21.198 51.091 -9.354 1.00 62.30 O ATOM 854 CB LEU A 800 -18.126 50.556 -10.743 1.00 0.30 C ATOM 855 CG LEU A 800 -16.882 50.125 -9.965 1.00 52.00 C ATOM 856 CD1 LEU A 800 -17.014 50.501 -8.497 1.00 61.52 C ATOM 857 CD2 LEU A 800 -16.651 48.629 -10.116 1.00 30.51 C ATOM 0 HA LEU A 800 -19.338 49.421 -9.378 1.00 61.42 H new ATOM 0 HB2 LEU A 800 -17.935 50.406 -11.806 1.00 0.30 H new ATOM 0 HB3 LEU A 800 -18.271 51.626 -10.593 1.00 0.30 H new ATOM 0 HG LEU A 800 -16.019 50.649 -10.377 1.00 52.00 H new ATOM 0 HD11 LEU A 800 -16.120 50.187 -7.959 1.00 61.52 H new ATOM 0 HD12 LEU A 800 -17.131 51.581 -8.407 1.00 61.52 H new ATOM 0 HD13 LEU A 800 -17.886 50.005 -8.071 1.00 61.52 H new ATOM 0 HD21 LEU A 800 -15.762 48.340 -9.556 1.00 30.51 H new ATOM 0 HD22 LEU A 800 -17.515 48.087 -9.731 1.00 30.51 H new ATOM 0 HD23 LEU A 800 -16.511 48.387 -11.170 1.00 30.51 H new ATOM 869 N GLN A 801 -20.887 51.371 -11.565 1.00 63.53 N ATOM 870 CA GLN A 801 -21.975 52.330 -11.708 1.00 12.10 C ATOM 871 C GLN A 801 -23.281 51.757 -11.167 1.00 61.42 C ATOM 872 O GLN A 801 -24.112 52.484 -10.624 1.00 53.30 O ATOM 873 CB GLN A 801 -22.147 52.724 -13.176 1.00 42.10 C ATOM 874 CG GLN A 801 -20.965 53.496 -13.741 1.00 31.21 C ATOM 875 CD GLN A 801 -20.870 54.904 -13.188 1.00 4.02 C ATOM 876 OE1 GLN A 801 -20.500 55.105 -12.031 1.00 5.13 O ATOM 877 NE2 GLN A 801 -21.204 55.889 -14.014 1.00 24.33 N ATOM 0 H GLN A 801 -20.392 51.163 -12.432 1.00 63.53 H new ATOM 0 HA GLN A 801 -21.721 53.217 -11.128 1.00 12.10 H new ATOM 0 HB2 GLN A 801 -22.299 51.823 -13.770 1.00 42.10 H new ATOM 0 HB3 GLN A 801 -23.048 53.329 -13.278 1.00 42.10 H new ATOM 0 HG2 GLN A 801 -20.044 52.958 -13.516 1.00 31.21 H new ATOM 0 HG3 GLN A 801 -21.051 53.541 -14.827 1.00 31.21 H new ATOM 0 HE21 GLN A 801 -21.505 55.677 -14.965 1.00 24.33 H new ATOM 0 HE22 GLN A 801 -21.159 56.858 -13.697 1.00 24.33 H new ATOM 886 N TYR A 802 -23.455 50.449 -11.320 1.00 24.42 N ATOM 887 CA TYR A 802 -24.661 49.778 -10.849 1.00 64.33 C ATOM 888 C TYR A 802 -24.785 49.881 -9.332 1.00 40.23 C ATOM 889 O TYR A 802 -25.754 50.437 -8.814 1.00 61.44 O ATOM 890 CB TYR A 802 -24.650 48.308 -11.272 1.00 63.31 C ATOM 891 CG TYR A 802 -25.656 47.981 -12.352 1.00 70.13 C ATOM 892 CD1 TYR A 802 -26.993 48.331 -12.213 1.00 12.13 C ATOM 893 CD2 TYR A 802 -25.269 47.323 -13.513 1.00 70.42 C ATOM 894 CE1 TYR A 802 -27.916 48.034 -13.197 1.00 20.33 C ATOM 895 CE2 TYR A 802 -26.185 47.022 -14.503 1.00 43.52 C ATOM 896 CZ TYR A 802 -27.507 47.380 -14.340 1.00 61.41 C ATOM 897 OH TYR A 802 -28.423 47.083 -15.323 1.00 62.23 O ATOM 0 H TYR A 802 -22.776 49.832 -11.766 1.00 24.42 H new ATOM 0 HA TYR A 802 -25.521 50.273 -11.300 1.00 64.33 H new ATOM 0 HB2 TYR A 802 -23.652 48.048 -11.626 1.00 63.31 H new ATOM 0 HB3 TYR A 802 -24.851 47.686 -10.400 1.00 63.31 H new ATOM 0 HD1 TYR A 802 -27.317 48.844 -11.320 1.00 12.13 H new ATOM 0 HD2 TYR A 802 -24.234 47.042 -13.644 1.00 70.42 H new ATOM 0 HE1 TYR A 802 -28.952 48.312 -13.072 1.00 20.33 H new ATOM 0 HE2 TYR A 802 -25.868 46.509 -15.399 1.00 43.52 H new ATOM 0 HH TYR A 802 -27.973 46.623 -16.062 1.00 62.23 H new ATOM 907 N TRP A 803 -23.797 49.343 -8.627 1.00 11.15 N ATOM 908 CA TRP A 803 -23.794 49.375 -7.168 1.00 73.23 C ATOM 909 C TRP A 803 -23.771 50.810 -6.655 1.00 43.31 C ATOM 910 O TRP A 803 -24.541 51.174 -5.767 1.00 1.34 O ATOM 911 CB TRP A 803 -22.590 48.605 -6.623 1.00 51.33 C ATOM 912 CG TRP A 803 -22.355 47.299 -7.320 1.00 2.30 C ATOM 913 CD1 TRP A 803 -21.156 46.801 -7.744 1.00 30.11 C ATOM 914 CD2 TRP A 803 -23.344 46.327 -7.675 1.00 40.11 C ATOM 915 NE1 TRP A 803 -21.341 45.577 -8.341 1.00 45.22 N ATOM 916 CE2 TRP A 803 -22.674 45.264 -8.311 1.00 24.21 C ATOM 917 CE3 TRP A 803 -24.730 46.250 -7.516 1.00 52.21 C ATOM 918 CZ2 TRP A 803 -23.344 44.140 -8.787 1.00 40.21 C ATOM 919 CZ3 TRP A 803 -25.394 45.135 -7.990 1.00 31.44 C ATOM 920 CH2 TRP A 803 -24.701 44.091 -8.618 1.00 50.52 C ATOM 0 H TRP A 803 -22.988 48.880 -9.041 1.00 11.15 H new ATOM 0 HA TRP A 803 -24.709 48.899 -6.817 1.00 73.23 H new ATOM 0 HB2 TRP A 803 -21.698 49.225 -6.718 1.00 51.33 H new ATOM 0 HB3 TRP A 803 -22.738 48.419 -5.559 1.00 51.33 H new ATOM 0 HD1 TRP A 803 -20.203 47.296 -7.627 1.00 30.11 H new ATOM 0 HE1 TRP A 803 -20.605 44.996 -8.742 1.00 45.22 H new ATOM 0 HE3 TRP A 803 -25.273 47.048 -7.031 1.00 52.21 H new ATOM 0 HZ2 TRP A 803 -22.812 43.335 -9.272 1.00 40.21 H new ATOM 0 HZ3 TRP A 803 -26.466 45.067 -7.875 1.00 31.44 H new ATOM 0 HH2 TRP A 803 -25.249 43.231 -8.975 1.00 50.52 H new ATOM 931 N SER A 804 -22.882 51.622 -7.220 1.00 74.21 N ATOM 932 CA SER A 804 -22.757 53.017 -6.816 1.00 44.34 C ATOM 933 C SER A 804 -24.112 53.717 -6.849 1.00 32.51 C ATOM 934 O SER A 804 -24.576 54.240 -5.836 1.00 72.04 O ATOM 935 CB SER A 804 -21.771 53.748 -7.731 1.00 32.13 C ATOM 936 OG SER A 804 -21.296 54.936 -7.122 1.00 50.33 O ATOM 0 H SER A 804 -22.238 51.337 -7.958 1.00 74.21 H new ATOM 0 HA SER A 804 -22.381 53.041 -5.793 1.00 44.34 H new ATOM 0 HB2 SER A 804 -20.931 53.093 -7.963 1.00 32.13 H new ATOM 0 HB3 SER A 804 -22.257 53.989 -8.676 1.00 32.13 H new ATOM 0 HG SER A 804 -20.667 55.384 -7.725 1.00 50.33 H new ATOM 942 N GLN A 805 -24.741 53.720 -8.020 1.00 12.22 N ATOM 943 CA GLN A 805 -26.043 54.355 -8.185 1.00 52.50 C ATOM 944 C GLN A 805 -27.085 53.706 -7.280 1.00 5.14 C ATOM 945 O GLN A 805 -27.984 54.376 -6.773 1.00 41.03 O ATOM 946 CB GLN A 805 -26.494 54.270 -9.644 1.00 53.12 C ATOM 947 CG GLN A 805 -25.911 55.362 -10.526 1.00 53.51 C ATOM 948 CD GLN A 805 -26.403 56.745 -10.145 1.00 74.23 C ATOM 949 OE1 GLN A 805 -27.192 56.901 -9.212 1.00 61.53 O ATOM 950 NE2 GLN A 805 -25.940 57.758 -10.867 1.00 44.30 N ATOM 0 H GLN A 805 -24.370 53.290 -8.868 1.00 12.22 H new ATOM 0 HA GLN A 805 -25.946 55.403 -7.902 1.00 52.50 H new ATOM 0 HB2 GLN A 805 -26.209 53.298 -10.047 1.00 53.12 H new ATOM 0 HB3 GLN A 805 -27.582 54.325 -9.683 1.00 53.12 H new ATOM 0 HG2 GLN A 805 -24.823 55.336 -10.459 1.00 53.51 H new ATOM 0 HG3 GLN A 805 -26.171 55.162 -11.565 1.00 53.51 H new ATOM 0 HE21 GLN A 805 -25.288 57.583 -11.631 1.00 44.30 H new ATOM 0 HE22 GLN A 805 -26.237 58.711 -10.657 1.00 44.30 H new ATOM 959 N GLU A 806 -26.956 52.398 -7.081 1.00 62.12 N ATOM 960 CA GLU A 806 -27.887 51.659 -6.237 1.00 75.34 C ATOM 961 C GLU A 806 -27.888 52.210 -4.814 1.00 64.24 C ATOM 962 O GLU A 806 -28.943 52.488 -4.244 1.00 74.21 O ATOM 963 CB GLU A 806 -27.525 50.172 -6.220 1.00 53.13 C ATOM 964 CG GLU A 806 -28.551 49.288 -6.908 1.00 75.32 C ATOM 965 CD GLU A 806 -29.669 48.859 -5.978 1.00 34.22 C ATOM 966 OE1 GLU A 806 -29.461 47.902 -5.202 1.00 42.33 O ATOM 967 OE2 GLU A 806 -30.752 49.479 -6.025 1.00 72.22 O ATOM 0 H GLU A 806 -26.216 51.829 -7.493 1.00 62.12 H new ATOM 0 HA GLU A 806 -28.887 51.777 -6.654 1.00 75.34 H new ATOM 0 HB2 GLU A 806 -26.558 50.037 -6.704 1.00 53.13 H new ATOM 0 HB3 GLU A 806 -27.412 49.846 -5.186 1.00 53.13 H new ATOM 0 HG2 GLU A 806 -28.975 49.824 -7.757 1.00 75.32 H new ATOM 0 HG3 GLU A 806 -28.054 48.403 -7.305 1.00 75.32 H new ATOM 974 N LEU A 807 -26.697 52.365 -4.246 1.00 62.24 N ATOM 975 CA LEU A 807 -26.558 52.882 -2.890 1.00 1.25 C ATOM 976 C LEU A 807 -26.961 54.352 -2.823 1.00 73.31 C ATOM 977 O LEU A 807 -27.549 54.802 -1.839 1.00 63.11 O ATOM 978 CB LEU A 807 -25.117 52.715 -2.404 1.00 31.43 C ATOM 979 CG LEU A 807 -24.764 51.352 -1.806 1.00 54.02 C ATOM 980 CD1 LEU A 807 -23.258 51.211 -1.651 1.00 12.13 C ATOM 981 CD2 LEU A 807 -25.461 51.161 -0.467 1.00 20.51 C ATOM 0 H LEU A 807 -25.814 52.140 -4.704 1.00 62.24 H new ATOM 0 HA LEU A 807 -27.223 52.312 -2.241 1.00 1.25 H new ATOM 0 HB2 LEU A 807 -24.447 52.906 -3.243 1.00 31.43 H new ATOM 0 HB3 LEU A 807 -24.916 53.481 -1.655 1.00 31.43 H new ATOM 0 HG LEU A 807 -25.112 50.576 -2.488 1.00 54.02 H new ATOM 0 HD11 LEU A 807 -23.026 50.235 -1.224 1.00 12.13 H new ATOM 0 HD12 LEU A 807 -22.782 51.303 -2.627 1.00 12.13 H new ATOM 0 HD13 LEU A 807 -22.885 51.994 -0.990 1.00 12.13 H new ATOM 0 HD21 LEU A 807 -25.199 50.186 -0.056 1.00 20.51 H new ATOM 0 HD22 LEU A 807 -25.144 51.943 0.223 1.00 20.51 H new ATOM 0 HD23 LEU A 807 -26.540 51.217 -0.607 1.00 20.51 H new ATOM 993 N LYS A 808 -26.644 55.095 -3.878 1.00 10.24 N ATOM 994 CA LYS A 808 -26.976 56.514 -3.942 1.00 61.52 C ATOM 995 C LYS A 808 -28.487 56.717 -3.991 1.00 42.10 C ATOM 996 O LYS A 808 -29.063 57.367 -3.120 1.00 51.42 O ATOM 997 CB LYS A 808 -26.324 57.156 -5.169 1.00 32.40 C ATOM 998 CG LYS A 808 -24.853 57.480 -4.976 1.00 62.55 C ATOM 999 CD LYS A 808 -24.376 58.521 -5.975 1.00 63.31 C ATOM 1000 CE LYS A 808 -24.164 57.914 -7.354 1.00 0.50 C ATOM 1001 NZ LYS A 808 -23.371 58.812 -8.239 1.00 0.33 N ATOM 0 H LYS A 808 -26.158 54.738 -4.701 1.00 10.24 H new ATOM 0 HA LYS A 808 -26.592 56.993 -3.041 1.00 61.52 H new ATOM 0 HB2 LYS A 808 -26.431 56.484 -6.020 1.00 32.40 H new ATOM 0 HB3 LYS A 808 -26.860 58.072 -5.417 1.00 32.40 H new ATOM 0 HG2 LYS A 808 -24.690 57.846 -3.962 1.00 62.55 H new ATOM 0 HG3 LYS A 808 -24.262 56.571 -5.086 1.00 62.55 H new ATOM 0 HD2 LYS A 808 -25.107 59.327 -6.039 1.00 63.31 H new ATOM 0 HD3 LYS A 808 -23.444 58.964 -5.624 1.00 63.31 H new ATOM 0 HE2 LYS A 808 -23.652 56.957 -7.255 1.00 0.50 H new ATOM 0 HE3 LYS A 808 -25.131 57.712 -7.814 1.00 0.50 H new ATOM 0 HZ1 LYS A 808 -23.248 58.363 -9.169 1.00 0.33 H new ATOM 0 HZ2 LYS A 808 -23.872 59.716 -8.354 1.00 0.33 H new ATOM 0 HZ3 LYS A 808 -22.438 58.985 -7.812 1.00 0.33 H new ATOM 1015 N ASN A 809 -29.122 56.155 -5.014 1.00 53.54 N ATOM 1016 CA ASN A 809 -30.567 56.275 -5.176 1.00 2.04 C ATOM 1017 C ASN A 809 -31.297 55.739 -3.948 1.00 74.33 C ATOM 1018 O ASN A 809 -32.243 56.355 -3.458 1.00 13.03 O ATOM 1019 CB ASN A 809 -31.025 55.522 -6.426 1.00 34.42 C ATOM 1020 CG ASN A 809 -32.406 55.949 -6.884 1.00 73.14 C ATOM 1021 OD1 ASN A 809 -32.545 56.817 -7.746 1.00 73.24 O ATOM 1022 ND2 ASN A 809 -33.436 55.340 -6.308 1.00 61.40 N ATOM 0 H ASN A 809 -28.659 55.612 -5.743 1.00 53.54 H new ATOM 0 HA ASN A 809 -30.810 57.332 -5.288 1.00 2.04 H new ATOM 0 HB2 ASN A 809 -30.310 55.691 -7.231 1.00 34.42 H new ATOM 0 HB3 ASN A 809 -31.028 54.451 -6.221 1.00 34.42 H new ATOM 0 HD21 ASN A 809 -34.389 55.586 -6.576 1.00 61.40 H new ATOM 0 HD22 ASN A 809 -33.274 54.626 -5.598 1.00 61.40 H new ATOM 1029 N SER A 810 -30.851 54.587 -3.457 1.00 73.02 N ATOM 1030 CA SER A 810 -31.464 53.965 -2.289 1.00 52.51 C ATOM 1031 C SER A 810 -31.301 54.848 -1.056 1.00 2.35 C ATOM 1032 O SER A 810 -32.271 55.147 -0.359 1.00 62.44 O ATOM 1033 CB SER A 810 -30.844 52.591 -2.032 1.00 71.32 C ATOM 1034 OG SER A 810 -31.558 51.889 -1.029 1.00 71.45 O ATOM 0 H SER A 810 -30.067 54.066 -3.850 1.00 73.02 H new ATOM 0 HA SER A 810 -32.528 53.843 -2.489 1.00 52.51 H new ATOM 0 HB2 SER A 810 -30.842 52.011 -2.955 1.00 71.32 H new ATOM 0 HB3 SER A 810 -29.804 52.709 -1.727 1.00 71.32 H new ATOM 0 HG SER A 810 -31.143 51.013 -0.884 1.00 71.45 H new ATOM 1040 N ALA A 811 -30.066 55.263 -0.792 1.00 20.33 N ATOM 1041 CA ALA A 811 -29.774 56.113 0.356 1.00 73.30 C ATOM 1042 C ALA A 811 -30.693 57.329 0.386 1.00 51.44 C ATOM 1043 O ALA A 811 -31.338 57.608 1.396 1.00 14.22 O ATOM 1044 CB ALA A 811 -28.317 56.550 0.332 1.00 31.33 C ATOM 0 H ALA A 811 -29.252 55.024 -1.358 1.00 20.33 H new ATOM 0 HA ALA A 811 -29.953 55.533 1.261 1.00 73.30 H new ATOM 0 HB1 ALA A 811 -28.113 57.184 1.195 1.00 31.33 H new ATOM 0 HB2 ALA A 811 -27.673 55.671 0.367 1.00 31.33 H new ATOM 0 HB3 ALA A 811 -28.120 57.108 -0.583 1.00 31.33 H new ATOM 1050 N VAL A 812 -30.747 58.052 -0.729 1.00 72.41 N ATOM 1051 CA VAL A 812 -31.588 59.239 -0.831 1.00 25.22 C ATOM 1052 C VAL A 812 -33.062 58.883 -0.681 1.00 33.33 C ATOM 1053 O VAL A 812 -33.833 59.630 -0.080 1.00 75.32 O ATOM 1054 CB VAL A 812 -31.379 59.960 -2.176 1.00 12.35 C ATOM 1055 CG1 VAL A 812 -32.274 61.187 -2.268 1.00 3.14 C ATOM 1056 CG2 VAL A 812 -29.917 60.342 -2.354 1.00 74.53 C ATOM 0 H VAL A 812 -30.218 57.836 -1.574 1.00 72.41 H new ATOM 0 HA VAL A 812 -31.295 59.906 -0.020 1.00 25.22 H new ATOM 0 HB VAL A 812 -31.653 59.278 -2.981 1.00 12.35 H new ATOM 0 HG11 VAL A 812 -32.113 61.684 -3.225 1.00 3.14 H new ATOM 0 HG12 VAL A 812 -33.318 60.883 -2.188 1.00 3.14 H new ATOM 0 HG13 VAL A 812 -32.033 61.874 -1.457 1.00 3.14 H new ATOM 0 HG21 VAL A 812 -29.787 60.850 -3.309 1.00 74.53 H new ATOM 0 HG22 VAL A 812 -29.614 61.007 -1.545 1.00 74.53 H new ATOM 0 HG23 VAL A 812 -29.301 59.443 -2.335 1.00 74.53 H new ATOM 1066 N ASN A 813 -33.447 57.736 -1.230 1.00 73.55 N ATOM 1067 CA ASN A 813 -34.831 57.280 -1.158 1.00 23.52 C ATOM 1068 C ASN A 813 -35.219 56.946 0.279 1.00 24.34 C ATOM 1069 O ASN A 813 -36.354 57.177 0.697 1.00 0.05 O ATOM 1070 CB ASN A 813 -35.033 56.053 -2.050 1.00 41.44 C ATOM 1071 CG ASN A 813 -36.492 55.654 -2.163 1.00 4.25 C ATOM 1072 OD1 ASN A 813 -37.243 56.223 -2.955 1.00 31.41 O ATOM 1073 ND2 ASN A 813 -36.899 54.672 -1.367 1.00 62.11 N ATOM 0 H ASN A 813 -32.821 57.105 -1.730 1.00 73.55 H new ATOM 0 HA ASN A 813 -35.472 58.088 -1.511 1.00 23.52 H new ATOM 0 HB2 ASN A 813 -34.638 56.261 -3.044 1.00 41.44 H new ATOM 0 HB3 ASN A 813 -34.461 55.217 -1.648 1.00 41.44 H new ATOM 0 HD21 ASN A 813 -37.870 54.361 -1.397 1.00 62.11 H new ATOM 0 HD22 ASN A 813 -36.241 54.229 -0.726 1.00 62.11 H new ATOM 1080 N LEU A 814 -34.269 56.401 1.031 1.00 5.35 N ATOM 1081 CA LEU A 814 -34.510 56.036 2.423 1.00 23.21 C ATOM 1082 C LEU A 814 -34.640 57.279 3.298 1.00 71.43 C ATOM 1083 O LEU A 814 -35.523 57.359 4.153 1.00 24.03 O ATOM 1084 CB LEU A 814 -33.376 55.150 2.942 1.00 20.40 C ATOM 1085 CG LEU A 814 -33.724 54.232 4.115 1.00 52.23 C ATOM 1086 CD1 LEU A 814 -34.588 53.072 3.646 1.00 32.42 C ATOM 1087 CD2 LEU A 814 -32.458 53.720 4.785 1.00 0.15 C ATOM 0 H LEU A 814 -33.325 56.202 0.700 1.00 5.35 H new ATOM 0 HA LEU A 814 -35.447 55.482 2.470 1.00 23.21 H new ATOM 0 HB2 LEU A 814 -33.018 54.533 2.118 1.00 20.40 H new ATOM 0 HB3 LEU A 814 -32.548 55.793 3.243 1.00 20.40 H new ATOM 0 HG LEU A 814 -34.291 54.808 4.847 1.00 52.23 H new ATOM 0 HD11 LEU A 814 -34.826 52.429 4.494 1.00 32.42 H new ATOM 0 HD12 LEU A 814 -35.511 53.458 3.213 1.00 32.42 H new ATOM 0 HD13 LEU A 814 -34.047 52.496 2.895 1.00 32.42 H new ATOM 0 HD21 LEU A 814 -32.725 53.069 5.617 1.00 0.15 H new ATOM 0 HD22 LEU A 814 -31.864 53.160 4.062 1.00 0.15 H new ATOM 0 HD23 LEU A 814 -31.876 54.564 5.157 1.00 0.15 H new ATOM 1099 N LEU A 815 -33.758 58.247 3.076 1.00 23.43 N ATOM 1100 CA LEU A 815 -33.775 59.488 3.843 1.00 71.32 C ATOM 1101 C LEU A 815 -35.069 60.258 3.602 1.00 53.30 C ATOM 1102 O LEU A 815 -35.747 60.662 4.546 1.00 53.34 O ATOM 1103 CB LEU A 815 -32.573 60.357 3.470 1.00 53.52 C ATOM 1104 CG LEU A 815 -31.253 60.009 4.158 1.00 71.22 C ATOM 1105 CD1 LEU A 815 -30.122 60.862 3.606 1.00 42.22 C ATOM 1106 CD2 LEU A 815 -31.373 60.188 5.664 1.00 10.42 C ATOM 0 H LEU A 815 -33.022 58.197 2.371 1.00 23.43 H new ATOM 0 HA LEU A 815 -33.717 59.234 4.901 1.00 71.32 H new ATOM 0 HB2 LEU A 815 -32.425 60.294 2.392 1.00 53.52 H new ATOM 0 HB3 LEU A 815 -32.816 61.395 3.698 1.00 53.52 H new ATOM 0 HG LEU A 815 -31.024 58.963 3.954 1.00 71.22 H new ATOM 0 HD11 LEU A 815 -29.190 60.600 4.108 1.00 42.22 H new ATOM 0 HD12 LEU A 815 -30.020 60.683 2.536 1.00 42.22 H new ATOM 0 HD13 LEU A 815 -30.343 61.915 3.778 1.00 42.22 H new ATOM 0 HD21 LEU A 815 -30.424 59.936 6.137 1.00 10.42 H new ATOM 0 HD22 LEU A 815 -31.626 61.224 5.888 1.00 10.42 H new ATOM 0 HD23 LEU A 815 -32.155 59.532 6.047 1.00 10.42 H new ATOM 1118 N ASN A 816 -35.406 60.456 2.332 1.00 55.33 N ATOM 1119 CA ASN A 816 -36.621 61.177 1.967 1.00 63.04 C ATOM 1120 C ASN A 816 -37.858 60.470 2.513 1.00 44.33 C ATOM 1121 O ASN A 816 -38.633 61.052 3.271 1.00 72.12 O ATOM 1122 CB ASN A 816 -36.724 61.307 0.446 1.00 64.04 C ATOM 1123 CG ASN A 816 -35.754 62.330 -0.114 1.00 62.32 C ATOM 1124 OD1 ASN A 816 -34.609 62.424 0.329 1.00 32.02 O ATOM 1125 ND2 ASN A 816 -36.209 63.102 -1.094 1.00 11.23 N ATOM 0 H ASN A 816 -34.856 60.128 1.538 1.00 55.33 H new ATOM 0 HA ASN A 816 -36.569 62.173 2.408 1.00 63.04 H new ATOM 0 HB2 ASN A 816 -36.530 60.337 -0.013 1.00 64.04 H new ATOM 0 HB3 ASN A 816 -37.742 61.590 0.176 1.00 64.04 H new ATOM 0 HD21 ASN A 816 -35.602 63.808 -1.511 1.00 11.23 H new ATOM 0 HD22 ASN A 816 -37.165 62.989 -1.430 1.00 11.23 H new ATOM 1132 N ALA A 817 -38.035 59.212 2.122 1.00 4.41 N ATOM 1133 CA ALA A 817 -39.175 58.425 2.574 1.00 11.42 C ATOM 1134 C ALA A 817 -39.319 58.488 4.091 1.00 41.40 C ATOM 1135 O ALA A 817 -40.424 58.629 4.615 1.00 33.15 O ATOM 1136 CB ALA A 817 -39.035 56.982 2.115 1.00 74.42 C ATOM 0 H ALA A 817 -37.403 58.716 1.493 1.00 4.41 H new ATOM 0 HA ALA A 817 -40.076 58.850 2.132 1.00 11.42 H new ATOM 0 HB1 ALA A 817 -39.894 56.406 2.460 1.00 74.42 H new ATOM 0 HB2 ALA A 817 -38.989 56.949 1.026 1.00 74.42 H new ATOM 0 HB3 ALA A 817 -38.122 56.555 2.529 1.00 74.42 H new ATOM 1142 N THR A 818 -38.195 58.383 4.792 1.00 25.35 N ATOM 1143 CA THR A 818 -38.196 58.426 6.249 1.00 24.22 C ATOM 1144 C THR A 818 -38.696 59.772 6.759 1.00 1.41 C ATOM 1145 O THR A 818 -39.467 59.837 7.716 1.00 60.20 O ATOM 1146 CB THR A 818 -36.789 58.164 6.820 1.00 31.20 C ATOM 1147 OG1 THR A 818 -36.386 56.820 6.532 1.00 43.53 O ATOM 1148 CG2 THR A 818 -36.764 58.395 8.323 1.00 25.24 C ATOM 0 H THR A 818 -37.272 58.267 4.374 1.00 25.35 H new ATOM 0 HA THR A 818 -38.870 57.639 6.588 1.00 24.22 H new ATOM 0 HB THR A 818 -36.094 58.860 6.350 1.00 31.20 H new ATOM 0 HG1 THR A 818 -35.788 56.817 5.756 1.00 43.53 H new ATOM 0 HG21 THR A 818 -35.761 58.204 8.704 1.00 25.24 H new ATOM 0 HG22 THR A 818 -37.043 59.427 8.537 1.00 25.24 H new ATOM 0 HG23 THR A 818 -37.470 57.720 8.807 1.00 25.24 H new ATOM 1156 N ALA A 819 -38.253 60.846 6.114 1.00 45.24 N ATOM 1157 CA ALA A 819 -38.658 62.192 6.501 1.00 61.35 C ATOM 1158 C ALA A 819 -40.157 62.391 6.306 1.00 33.52 C ATOM 1159 O ALA A 819 -40.822 63.014 7.134 1.00 54.43 O ATOM 1160 CB ALA A 819 -37.879 63.227 5.704 1.00 44.43 C ATOM 0 H ALA A 819 -37.613 60.810 5.320 1.00 45.24 H new ATOM 0 HA ALA A 819 -38.435 62.322 7.560 1.00 61.35 H new ATOM 0 HB1 ALA A 819 -38.192 64.227 6.003 1.00 44.43 H new ATOM 0 HB2 ALA A 819 -36.813 63.107 5.896 1.00 44.43 H new ATOM 0 HB3 ALA A 819 -38.074 63.089 4.640 1.00 44.43 H new ATOM 1166 N ILE A 820 -40.683 61.857 5.208 1.00 3.44 N ATOM 1167 CA ILE A 820 -42.104 61.977 4.907 1.00 63.43 C ATOM 1168 C ILE A 820 -42.945 61.181 5.899 1.00 60.32 C ATOM 1169 O ILE A 820 -44.042 61.596 6.271 1.00 30.30 O ATOM 1170 CB ILE A 820 -42.419 61.492 3.479 1.00 3.01 C ATOM 1171 CG1 ILE A 820 -41.606 62.288 2.456 1.00 52.30 C ATOM 1172 CG2 ILE A 820 -43.908 61.617 3.194 1.00 61.11 C ATOM 1173 CD1 ILE A 820 -41.815 63.784 2.550 1.00 74.51 C ATOM 0 H ILE A 820 -40.147 61.338 4.513 1.00 3.44 H new ATOM 0 HA ILE A 820 -42.356 63.034 4.987 1.00 63.43 H new ATOM 0 HB ILE A 820 -42.141 60.441 3.398 1.00 3.01 H new ATOM 0 HG12 ILE A 820 -40.547 62.068 2.594 1.00 52.30 H new ATOM 0 HG13 ILE A 820 -41.873 61.954 1.453 1.00 52.30 H new ATOM 0 HG21 ILE A 820 -44.115 61.271 2.181 1.00 61.11 H new ATOM 0 HG22 ILE A 820 -44.467 61.010 3.906 1.00 61.11 H new ATOM 0 HG23 ILE A 820 -44.210 62.660 3.290 1.00 61.11 H new ATOM 0 HD11 ILE A 820 -41.208 64.284 1.796 1.00 74.51 H new ATOM 0 HD12 ILE A 820 -42.867 64.016 2.382 1.00 74.51 H new ATOM 0 HD13 ILE A 820 -41.521 64.131 3.541 1.00 74.51 H new ATOM 1185 N ALA A 821 -42.422 60.036 6.325 1.00 71.54 N ATOM 1186 CA ALA A 821 -43.123 59.183 7.277 1.00 40.12 C ATOM 1187 C ALA A 821 -42.996 59.726 8.696 1.00 34.12 C ATOM 1188 O ALA A 821 -43.860 59.490 9.541 1.00 12.11 O ATOM 1189 CB ALA A 821 -42.589 57.760 7.204 1.00 3.32 C ATOM 0 H ALA A 821 -41.515 59.678 6.026 1.00 71.54 H new ATOM 0 HA ALA A 821 -44.180 59.176 7.012 1.00 40.12 H new ATOM 0 HB1 ALA A 821 -43.122 57.134 7.920 1.00 3.32 H new ATOM 0 HB2 ALA A 821 -42.737 57.367 6.198 1.00 3.32 H new ATOM 0 HB3 ALA A 821 -41.525 57.758 7.441 1.00 3.32 H new ATOM 1195 N VAL A 822 -41.914 60.454 8.952 1.00 21.54 N ATOM 1196 CA VAL A 822 -41.675 61.030 10.270 1.00 45.31 C ATOM 1197 C VAL A 822 -42.357 62.386 10.408 1.00 11.53 C ATOM 1198 O VAL A 822 -42.707 62.807 11.511 1.00 71.14 O ATOM 1199 CB VAL A 822 -40.168 61.196 10.545 1.00 71.40 C ATOM 1200 CG1 VAL A 822 -39.942 61.961 11.840 1.00 74.01 C ATOM 1201 CG2 VAL A 822 -39.484 59.838 10.592 1.00 25.12 C ATOM 0 H VAL A 822 -41.189 60.659 8.264 1.00 21.54 H new ATOM 0 HA VAL A 822 -42.096 60.338 10.999 1.00 45.31 H new ATOM 0 HB VAL A 822 -39.728 61.772 9.730 1.00 71.40 H new ATOM 0 HG11 VAL A 822 -38.872 62.068 12.017 1.00 74.01 H new ATOM 0 HG12 VAL A 822 -40.398 62.948 11.764 1.00 74.01 H new ATOM 0 HG13 VAL A 822 -40.394 61.416 12.668 1.00 74.01 H new ATOM 0 HG21 VAL A 822 -38.420 59.973 10.787 1.00 25.12 H new ATOM 0 HG22 VAL A 822 -39.925 59.236 11.386 1.00 25.12 H new ATOM 0 HG23 VAL A 822 -39.616 59.331 9.636 1.00 25.12 H new ATOM 1211 N ALA A 823 -42.544 63.067 9.282 1.00 64.41 N ATOM 1212 CA ALA A 823 -43.187 64.375 9.277 1.00 62.41 C ATOM 1213 C ALA A 823 -44.704 64.240 9.196 1.00 44.22 C ATOM 1214 O ALA A 823 -45.420 65.237 9.104 1.00 24.34 O ATOM 1215 CB ALA A 823 -42.667 65.214 8.119 1.00 2.03 C ATOM 0 H ALA A 823 -42.259 62.734 8.361 1.00 64.41 H new ATOM 0 HA ALA A 823 -42.942 64.877 10.213 1.00 62.41 H new ATOM 0 HB1 ALA A 823 -43.156 66.188 8.127 1.00 2.03 H new ATOM 0 HB2 ALA A 823 -41.590 65.347 8.221 1.00 2.03 H new ATOM 0 HB3 ALA A 823 -42.882 64.708 7.178 1.00 2.03 H new ATOM 1243 N THR A 826 -47.592 62.132 14.760 1.00 43.40 N ATOM 1244 CA THR A 826 -48.582 62.792 15.602 1.00 42.02 C ATOM 1245 C THR A 826 -48.709 64.269 15.247 1.00 41.12 C ATOM 1246 O THR A 826 -49.691 64.921 15.603 1.00 24.25 O ATOM 1247 CB THR A 826 -48.225 62.663 17.095 1.00 51.43 C ATOM 1248 OG1 THR A 826 -47.743 61.344 17.371 1.00 34.44 O ATOM 1249 CG2 THR A 826 -49.435 62.960 17.968 1.00 40.53 C ATOM 0 HA THR A 826 -49.534 62.294 15.419 1.00 42.02 H new ATOM 0 HB THR A 826 -47.445 63.389 17.324 1.00 51.43 H new ATOM 0 HG1 THR A 826 -47.271 60.997 16.585 1.00 34.44 H new ATOM 0 HG21 THR A 826 -49.159 62.863 19.018 1.00 40.53 H new ATOM 0 HG22 THR A 826 -49.781 63.976 17.777 1.00 40.53 H new ATOM 0 HG23 THR A 826 -50.233 62.255 17.736 1.00 40.53 H new ATOM 1257 N ASP A 827 -47.711 64.791 14.542 1.00 11.33 N ATOM 1258 CA ASP A 827 -47.712 66.192 14.137 1.00 13.22 C ATOM 1259 C ASP A 827 -49.001 66.544 13.401 1.00 72.33 C ATOM 1260 O ASP A 827 -49.538 67.640 13.558 1.00 14.23 O ATOM 1261 CB ASP A 827 -46.504 66.489 13.247 1.00 34.11 C ATOM 1262 CG ASP A 827 -46.242 65.386 12.240 1.00 12.05 C ATOM 1263 OD1 ASP A 827 -47.078 65.202 11.330 1.00 23.14 O ATOM 1264 OD2 ASP A 827 -45.201 64.708 12.362 1.00 32.52 O ATOM 0 H ASP A 827 -46.891 64.265 14.239 1.00 11.33 H new ATOM 0 HA ASP A 827 -47.650 66.805 15.036 1.00 13.22 H new ATOM 0 HB2 ASP A 827 -46.668 67.428 12.719 1.00 34.11 H new ATOM 0 HB3 ASP A 827 -45.621 66.624 13.871 1.00 34.11 H new ATOM 1269 N ARG A 828 -49.491 65.607 12.596 1.00 71.33 N ATOM 1270 CA ARG A 828 -50.715 65.818 11.833 1.00 54.50 C ATOM 1271 C ARG A 828 -51.907 66.025 12.764 1.00 42.13 C ATOM 1272 O ARG A 828 -52.568 67.063 12.722 1.00 22.13 O ATOM 1273 CB ARG A 828 -50.978 64.629 10.908 1.00 64.40 C ATOM 1274 CG ARG A 828 -50.205 64.692 9.600 1.00 33.14 C ATOM 1275 CD ARG A 828 -50.851 65.657 8.618 1.00 32.41 C ATOM 1276 NE ARG A 828 -50.165 65.666 7.329 1.00 74.33 N ATOM 1277 CZ ARG A 828 -50.379 66.580 6.389 1.00 10.12 C ATOM 1278 NH1 ARG A 828 -51.254 67.554 6.595 1.00 54.54 N ATOM 1279 NH2 ARG A 828 -49.716 66.521 5.241 1.00 2.24 N ATOM 0 H ARG A 828 -49.059 64.694 12.455 1.00 71.33 H new ATOM 0 HA ARG A 828 -50.586 66.716 11.230 1.00 54.50 H new ATOM 0 HB2 ARG A 828 -50.717 63.709 11.430 1.00 64.40 H new ATOM 0 HB3 ARG A 828 -52.044 64.580 10.688 1.00 64.40 H new ATOM 0 HG2 ARG A 828 -49.179 65.004 9.797 1.00 33.14 H new ATOM 0 HG3 ARG A 828 -50.156 63.698 9.156 1.00 33.14 H new ATOM 0 HD2 ARG A 828 -51.895 65.380 8.471 1.00 32.41 H new ATOM 0 HD3 ARG A 828 -50.844 66.662 9.040 1.00 32.41 H new ATOM 0 HE ARG A 828 -49.484 64.930 7.140 1.00 74.33 H new ATOM 0 HH11 ARG A 828 -51.765 67.603 7.477 1.00 54.54 H new ATOM 0 HH12 ARG A 828 -51.417 68.255 5.872 1.00 54.54 H new ATOM 0 HH21 ARG A 828 -49.041 65.773 5.080 1.00 2.24 H new ATOM 0 HH22 ARG A 828 -49.881 67.223 4.520 1.00 2.24 H new ATOM 1293 N VAL A 829 -52.176 65.030 13.603 1.00 64.55 N ATOM 1294 CA VAL A 829 -53.287 65.102 14.544 1.00 64.11 C ATOM 1295 C VAL A 829 -53.213 66.372 15.384 1.00 21.45 C ATOM 1296 O VAL A 829 -54.233 67.000 15.668 1.00 40.40 O ATOM 1297 CB VAL A 829 -53.309 63.880 15.481 1.00 61.42 C ATOM 1298 CG1 VAL A 829 -54.456 63.989 16.474 1.00 70.42 C ATOM 1299 CG2 VAL A 829 -53.411 62.593 14.675 1.00 5.23 C ATOM 0 H VAL A 829 -51.639 64.164 13.650 1.00 64.55 H new ATOM 0 HA VAL A 829 -54.203 65.113 13.953 1.00 64.11 H new ATOM 0 HB VAL A 829 -52.375 63.857 16.043 1.00 61.42 H new ATOM 0 HG11 VAL A 829 -54.456 63.117 17.128 1.00 70.42 H new ATOM 0 HG12 VAL A 829 -54.334 64.891 17.073 1.00 70.42 H new ATOM 0 HG13 VAL A 829 -55.402 64.037 15.934 1.00 70.42 H new ATOM 0 HG21 VAL A 829 -53.425 61.739 15.353 1.00 5.23 H new ATOM 0 HG22 VAL A 829 -54.328 62.604 14.086 1.00 5.23 H new ATOM 0 HG23 VAL A 829 -52.553 62.512 14.008 1.00 5.23 H new ATOM 1309 N ILE A 830 -52.000 66.743 15.780 1.00 40.23 N ATOM 1310 CA ILE A 830 -51.793 67.939 16.587 1.00 51.33 C ATOM 1311 C ILE A 830 -52.187 69.196 15.818 1.00 33.01 C ATOM 1312 O ILE A 830 -53.067 69.944 16.243 1.00 51.13 O ATOM 1313 CB ILE A 830 -50.326 68.067 17.039 1.00 74.41 C ATOM 1314 CG1 ILE A 830 -49.918 66.847 17.867 1.00 23.15 C ATOM 1315 CG2 ILE A 830 -50.127 69.347 17.837 1.00 73.43 C ATOM 1316 CD1 ILE A 830 -48.436 66.548 17.813 1.00 42.14 C ATOM 0 H ILE A 830 -51.146 66.233 15.555 1.00 40.23 H new ATOM 0 HA ILE A 830 -52.428 67.839 17.467 1.00 51.33 H new ATOM 0 HB ILE A 830 -49.691 68.112 16.155 1.00 74.41 H new ATOM 0 HG12 ILE A 830 -50.210 67.008 18.905 1.00 23.15 H new ATOM 0 HG13 ILE A 830 -50.469 65.976 17.512 1.00 23.15 H new ATOM 0 HG21 ILE A 830 -49.085 69.423 18.149 1.00 73.43 H new ATOM 0 HG22 ILE A 830 -50.383 70.206 17.217 1.00 73.43 H new ATOM 0 HG23 ILE A 830 -50.769 69.330 18.717 1.00 73.43 H new ATOM 0 HD11 ILE A 830 -48.219 65.671 18.423 1.00 42.14 H new ATOM 0 HD12 ILE A 830 -48.141 66.355 16.782 1.00 42.14 H new ATOM 0 HD13 ILE A 830 -47.878 67.403 18.196 1.00 42.14 H new ATOM 1328 N GLU A 831 -51.531 69.420 14.684 1.00 23.10 N ATOM 1329 CA GLU A 831 -51.814 70.586 13.856 1.00 50.04 C ATOM 1330 C GLU A 831 -53.307 70.694 13.561 1.00 53.13 C ATOM 1331 O GLU A 831 -53.869 71.789 13.537 1.00 14.14 O ATOM 1332 CB GLU A 831 -51.028 70.511 12.545 1.00 52.11 C ATOM 1333 CG GLU A 831 -49.523 70.437 12.741 1.00 73.32 C ATOM 1334 CD GLU A 831 -48.872 71.805 12.783 1.00 50.42 C ATOM 1335 OE1 GLU A 831 -47.848 71.955 13.482 1.00 35.12 O ATOM 1336 OE2 GLU A 831 -49.387 72.727 12.116 1.00 44.35 O ATOM 0 H GLU A 831 -50.800 68.810 14.318 1.00 23.10 H new ATOM 0 HA GLU A 831 -51.505 71.475 14.406 1.00 50.04 H new ATOM 0 HB2 GLU A 831 -51.356 69.636 11.984 1.00 52.11 H new ATOM 0 HB3 GLU A 831 -51.264 71.386 11.939 1.00 52.11 H new ATOM 0 HG2 GLU A 831 -49.307 69.907 13.669 1.00 73.32 H new ATOM 0 HG3 GLU A 831 -49.083 69.854 11.932 1.00 73.32 H new ATOM 1343 N VAL A 832 -53.944 69.549 13.335 1.00 14.32 N ATOM 1344 CA VAL A 832 -55.372 69.514 13.042 1.00 32.11 C ATOM 1345 C VAL A 832 -56.195 69.879 14.273 1.00 40.15 C ATOM 1346 O VAL A 832 -57.160 70.639 14.184 1.00 14.13 O ATOM 1347 CB VAL A 832 -55.808 68.124 12.541 1.00 41.33 C ATOM 1348 CG1 VAL A 832 -57.301 68.104 12.253 1.00 14.23 C ATOM 1349 CG2 VAL A 832 -55.013 67.731 11.304 1.00 14.34 C ATOM 0 H VAL A 832 -53.494 68.634 13.349 1.00 14.32 H new ATOM 0 HA VAL A 832 -55.552 70.248 12.257 1.00 32.11 H new ATOM 0 HB VAL A 832 -55.604 67.394 13.324 1.00 41.33 H new ATOM 0 HG11 VAL A 832 -57.590 67.114 11.900 1.00 14.23 H new ATOM 0 HG12 VAL A 832 -57.851 68.339 13.164 1.00 14.23 H new ATOM 0 HG13 VAL A 832 -57.534 68.844 11.488 1.00 14.23 H new ATOM 0 HG21 VAL A 832 -55.333 66.747 10.963 1.00 14.34 H new ATOM 0 HG22 VAL A 832 -55.184 68.462 10.514 1.00 14.34 H new ATOM 0 HG23 VAL A 832 -53.951 67.703 11.548 1.00 14.34 H new ATOM 1359 N LEU A 833 -55.807 69.334 15.420 1.00 60.41 N ATOM 1360 CA LEU A 833 -56.508 69.602 16.671 1.00 54.24 C ATOM 1361 C LEU A 833 -56.491 71.092 16.996 1.00 44.33 C ATOM 1362 O LEU A 833 -57.540 71.713 17.164 1.00 71.51 O ATOM 1363 CB LEU A 833 -55.872 68.811 17.815 1.00 53.20 C ATOM 1364 CG LEU A 833 -56.784 68.498 19.002 1.00 4.02 C ATOM 1365 CD1 LEU A 833 -57.222 69.781 19.692 1.00 62.33 C ATOM 1366 CD2 LEU A 833 -57.993 67.694 18.548 1.00 14.24 C ATOM 0 H LEU A 833 -55.010 68.703 15.510 1.00 60.41 H new ATOM 0 HA LEU A 833 -57.545 69.287 16.553 1.00 54.24 H new ATOM 0 HB2 LEU A 833 -55.495 67.870 17.414 1.00 53.20 H new ATOM 0 HB3 LEU A 833 -55.011 69.369 18.181 1.00 53.20 H new ATOM 0 HG LEU A 833 -56.223 67.898 19.719 1.00 4.02 H new ATOM 0 HD11 LEU A 833 -57.870 69.538 20.534 1.00 62.33 H new ATOM 0 HD12 LEU A 833 -56.345 70.318 20.053 1.00 62.33 H new ATOM 0 HD13 LEU A 833 -57.765 70.407 18.985 1.00 62.33 H new ATOM 0 HD21 LEU A 833 -58.631 67.480 19.406 1.00 14.24 H new ATOM 0 HD22 LEU A 833 -58.556 68.268 17.811 1.00 14.24 H new ATOM 0 HD23 LEU A 833 -57.660 66.757 18.101 1.00 14.24 H new ATOM 1378 N GLN A 834 -55.292 71.660 17.080 1.00 2.04 N ATOM 1379 CA GLN A 834 -55.138 73.078 17.384 1.00 73.13 C ATOM 1380 C GLN A 834 -55.836 73.938 16.335 1.00 34.41 C ATOM 1381 O GLN A 834 -56.567 74.870 16.669 1.00 21.00 O ATOM 1382 CB GLN A 834 -53.656 73.447 17.459 1.00 42.53 C ATOM 1383 CG GLN A 834 -52.872 73.074 16.211 1.00 61.10 C ATOM 1384 CD GLN A 834 -51.406 72.815 16.498 1.00 31.15 C ATOM 1385 OE1 GLN A 834 -51.063 72.101 17.441 1.00 32.13 O ATOM 1386 NE2 GLN A 834 -50.531 73.395 15.685 1.00 15.11 N ATOM 0 H GLN A 834 -54.414 71.160 16.942 1.00 2.04 H new ATOM 0 HA GLN A 834 -55.602 73.269 18.352 1.00 73.13 H new ATOM 0 HB2 GLN A 834 -53.565 74.520 17.628 1.00 42.53 H new ATOM 0 HB3 GLN A 834 -53.210 72.950 18.320 1.00 42.53 H new ATOM 0 HG2 GLN A 834 -53.313 72.184 15.762 1.00 61.10 H new ATOM 0 HG3 GLN A 834 -52.959 73.877 15.479 1.00 61.10 H new ATOM 0 HE21 GLN A 834 -50.859 73.979 14.916 1.00 15.11 H new ATOM 0 HE22 GLN A 834 -49.531 73.257 15.830 1.00 15.11 H new ATOM 1395 N ALA A 835 -55.606 73.618 15.066 1.00 70.41 N ATOM 1396 CA ALA A 835 -56.214 74.360 13.969 1.00 71.35 C ATOM 1397 C ALA A 835 -57.736 74.317 14.054 1.00 71.54 C ATOM 1398 O ALA A 835 -58.407 75.328 13.850 1.00 33.34 O ATOM 1399 CB ALA A 835 -55.742 73.806 12.632 1.00 54.40 C ATOM 0 H ALA A 835 -55.003 72.850 14.772 1.00 70.41 H new ATOM 0 HA ALA A 835 -55.901 75.401 14.050 1.00 71.35 H new ATOM 0 HB1 ALA A 835 -56.204 74.369 11.821 1.00 54.40 H new ATOM 0 HB2 ALA A 835 -54.658 73.895 12.564 1.00 54.40 H new ATOM 0 HB3 ALA A 835 -56.026 72.757 12.552 1.00 54.40 H new ATOM 1405 N ALA A 836 -58.274 73.139 14.354 1.00 12.23 N ATOM 1406 CA ALA A 836 -59.717 72.965 14.467 1.00 1.23 C ATOM 1407 C ALA A 836 -60.284 73.809 15.604 1.00 33.40 C ATOM 1408 O ALA A 836 -61.354 74.404 15.474 1.00 32.00 O ATOM 1409 CB ALA A 836 -60.057 71.497 14.677 1.00 63.14 C ATOM 0 H ALA A 836 -57.732 72.291 14.523 1.00 12.23 H new ATOM 0 HA ALA A 836 -60.173 73.302 13.536 1.00 1.23 H new ATOM 0 HB1 ALA A 836 -61.138 71.382 14.760 1.00 63.14 H new ATOM 0 HB2 ALA A 836 -59.694 70.915 13.830 1.00 63.14 H new ATOM 0 HB3 ALA A 836 -59.583 71.141 15.592 1.00 63.14 H new ATOM 1415 N TYR A 837 -59.562 73.855 16.718 1.00 62.33 N ATOM 1416 CA TYR A 837 -59.995 74.623 17.879 1.00 71.03 C ATOM 1417 C TYR A 837 -60.059 76.112 17.554 1.00 41.24 C ATOM 1418 O TYR A 837 -61.117 76.734 17.646 1.00 53.32 O ATOM 1419 CB TYR A 837 -59.047 74.387 19.056 1.00 71.34 C ATOM 1420 CG TYR A 837 -59.433 75.145 20.306 1.00 70.14 C ATOM 1421 CD1 TYR A 837 -58.468 75.564 21.214 1.00 75.24 C ATOM 1422 CD2 TYR A 837 -60.763 75.443 20.578 1.00 45.21 C ATOM 1423 CE1 TYR A 837 -58.817 76.256 22.357 1.00 22.01 C ATOM 1424 CE2 TYR A 837 -61.120 76.136 21.718 1.00 1.43 C ATOM 1425 CZ TYR A 837 -60.144 76.540 22.605 1.00 44.10 C ATOM 1426 OH TYR A 837 -60.494 77.231 23.742 1.00 34.33 O ATOM 0 H TYR A 837 -58.674 73.369 16.841 1.00 62.33 H new ATOM 0 HA TYR A 837 -60.995 74.286 18.153 1.00 71.03 H new ATOM 0 HB2 TYR A 837 -59.020 73.321 19.282 1.00 71.34 H new ATOM 0 HB3 TYR A 837 -58.038 74.677 18.763 1.00 71.34 H new ATOM 0 HD1 TYR A 837 -57.428 75.345 21.023 1.00 75.24 H new ATOM 0 HD2 TYR A 837 -61.530 75.127 19.886 1.00 45.21 H new ATOM 0 HE1 TYR A 837 -58.055 76.573 23.053 1.00 22.01 H new ATOM 0 HE2 TYR A 837 -62.158 76.360 21.914 1.00 1.43 H new ATOM 0 HH TYR A 837 -61.466 77.350 23.766 1.00 34.33 H new ATOM 1436 N ARG A 838 -58.918 76.677 17.172 1.00 11.21 N ATOM 1437 CA ARG A 838 -58.843 78.093 16.833 1.00 3.24 C ATOM 1438 C ARG A 838 -59.927 78.470 15.829 1.00 54.53 C ATOM 1439 O ARG A 838 -60.599 79.491 15.979 1.00 65.02 O ATOM 1440 CB ARG A 838 -57.464 78.430 16.262 1.00 11.11 C ATOM 1441 CG ARG A 838 -57.095 77.608 15.038 1.00 43.30 C ATOM 1442 CD ARG A 838 -55.683 77.918 14.565 1.00 71.44 C ATOM 1443 NE ARG A 838 -54.676 77.192 15.334 1.00 33.14 N ATOM 1444 CZ ARG A 838 -53.379 77.477 15.301 1.00 33.03 C ATOM 1445 NH1 ARG A 838 -52.934 78.467 14.541 1.00 52.54 N ATOM 1446 NH2 ARG A 838 -52.525 76.771 16.030 1.00 23.25 N ATOM 0 H ARG A 838 -58.033 76.176 17.090 1.00 11.21 H new ATOM 0 HA ARG A 838 -59.002 78.668 17.745 1.00 3.24 H new ATOM 0 HB2 ARG A 838 -57.437 79.488 16.001 1.00 11.11 H new ATOM 0 HB3 ARG A 838 -56.712 78.273 17.035 1.00 11.11 H new ATOM 0 HG2 ARG A 838 -57.177 76.547 15.273 1.00 43.30 H new ATOM 0 HG3 ARG A 838 -57.802 77.812 14.234 1.00 43.30 H new ATOM 0 HD2 ARG A 838 -55.589 77.660 13.510 1.00 71.44 H new ATOM 0 HD3 ARG A 838 -55.500 78.989 14.648 1.00 71.44 H new ATOM 0 HE ARG A 838 -54.986 76.424 15.929 1.00 33.14 H new ATOM 0 HH11 ARG A 838 -53.588 79.012 13.979 1.00 52.54 H new ATOM 0 HH12 ARG A 838 -51.938 78.684 14.518 1.00 52.54 H new ATOM 0 HH21 ARG A 838 -52.864 76.008 16.617 1.00 23.25 H new ATOM 0 HH22 ARG A 838 -51.529 76.991 16.004 1.00 23.25 H new ATOM 1460 N ALA A 839 -60.093 77.640 14.804 1.00 5.13 N ATOM 1461 CA ALA A 839 -61.096 77.886 13.776 1.00 31.50 C ATOM 1462 C ALA A 839 -62.499 77.906 14.372 1.00 34.13 C ATOM 1463 O ALA A 839 -63.320 78.754 14.022 1.00 55.12 O ATOM 1464 CB ALA A 839 -61.000 76.832 12.683 1.00 73.42 C ATOM 0 H ALA A 839 -59.545 76.791 14.664 1.00 5.13 H new ATOM 0 HA ALA A 839 -60.901 78.866 13.340 1.00 31.50 H new ATOM 0 HB1 ALA A 839 -61.755 77.028 11.922 1.00 73.42 H new ATOM 0 HB2 ALA A 839 -60.009 76.867 12.229 1.00 73.42 H new ATOM 0 HB3 ALA A 839 -61.167 75.845 13.114 1.00 73.42 H new ATOM 1470 N ILE A 840 -62.768 76.967 15.274 1.00 41.43 N ATOM 1471 CA ILE A 840 -64.072 76.879 15.918 1.00 32.23 C ATOM 1472 C ILE A 840 -64.346 78.110 16.776 1.00 74.42 C ATOM 1473 O ILE A 840 -65.493 78.530 16.927 1.00 14.30 O ATOM 1474 CB ILE A 840 -64.181 75.619 16.798 1.00 0.52 C ATOM 1475 CG1 ILE A 840 -64.521 74.399 15.940 1.00 1.12 C ATOM 1476 CG2 ILE A 840 -65.229 75.820 17.883 1.00 71.14 C ATOM 1477 CD1 ILE A 840 -64.429 73.089 16.690 1.00 20.31 C ATOM 0 H ILE A 840 -62.100 76.257 15.575 1.00 41.43 H new ATOM 0 HA ILE A 840 -64.814 76.822 15.122 1.00 32.23 H new ATOM 0 HB ILE A 840 -63.218 75.444 17.278 1.00 0.52 H new ATOM 0 HG12 ILE A 840 -65.531 74.512 15.545 1.00 1.12 H new ATOM 0 HG13 ILE A 840 -63.846 74.367 15.085 1.00 1.12 H new ATOM 0 HG21 ILE A 840 -65.295 74.921 18.496 1.00 71.14 H new ATOM 0 HG22 ILE A 840 -64.947 76.667 18.509 1.00 71.14 H new ATOM 0 HG23 ILE A 840 -66.197 76.016 17.422 1.00 71.14 H new ATOM 0 HD11 ILE A 840 -64.683 72.268 16.020 1.00 20.31 H new ATOM 0 HD12 ILE A 840 -63.413 72.953 17.062 1.00 20.31 H new ATOM 0 HD13 ILE A 840 -65.124 73.101 17.530 1.00 20.31 H new ATOM 1489 N ARG A 841 -63.285 78.684 17.334 1.00 74.35 N ATOM 1490 CA ARG A 841 -63.411 79.867 18.175 1.00 14.25 C ATOM 1491 C ARG A 841 -63.665 81.112 17.330 1.00 63.34 C ATOM 1492 O ARG A 841 -64.446 81.985 17.709 1.00 5.03 O ATOM 1493 CB ARG A 841 -62.148 80.058 19.017 1.00 61.34 C ATOM 1494 CG ARG A 841 -62.332 81.012 20.186 1.00 75.45 C ATOM 1495 CD ARG A 841 -61.201 80.883 21.193 1.00 10.14 C ATOM 1496 NE ARG A 841 -61.472 81.631 22.418 1.00 24.23 N ATOM 1497 CZ ARG A 841 -60.537 81.949 23.307 1.00 43.44 C ATOM 1498 NH1 ARG A 841 -59.277 81.588 23.107 1.00 61.23 N ATOM 1499 NH2 ARG A 841 -60.861 82.632 24.397 1.00 32.23 N ATOM 0 H ARG A 841 -62.329 78.348 17.218 1.00 74.35 H new ATOM 0 HA ARG A 841 -64.263 79.720 18.839 1.00 14.25 H new ATOM 0 HB2 ARG A 841 -61.826 79.089 19.398 1.00 61.34 H new ATOM 0 HB3 ARG A 841 -61.348 80.431 18.377 1.00 61.34 H new ATOM 0 HG2 ARG A 841 -62.377 82.037 19.817 1.00 75.45 H new ATOM 0 HG3 ARG A 841 -63.283 80.808 20.677 1.00 75.45 H new ATOM 0 HD2 ARG A 841 -61.050 79.831 21.436 1.00 10.14 H new ATOM 0 HD3 ARG A 841 -60.274 81.243 20.746 1.00 10.14 H new ATOM 0 HE ARG A 841 -62.431 81.925 22.601 1.00 24.23 H new ATOM 0 HH11 ARG A 841 -59.023 81.065 22.269 1.00 61.23 H new ATOM 0 HH12 ARG A 841 -58.561 81.834 23.791 1.00 61.23 H new ATOM 0 HH21 ARG A 841 -61.829 82.914 24.553 1.00 32.23 H new ATOM 0 HH22 ARG A 841 -60.142 82.875 25.079 1.00 32.23 H new ATOM 1513 N HIS A 842 -62.999 81.186 16.181 1.00 0.24 N ATOM 1514 CA HIS A 842 -63.152 82.324 15.281 1.00 21.24 C ATOM 1515 C HIS A 842 -64.527 82.312 14.620 1.00 44.12 C ATOM 1516 O HIS A 842 -65.102 83.365 14.344 1.00 41.23 O ATOM 1517 CB HIS A 842 -62.059 82.306 14.213 1.00 45.22 C ATOM 1518 CG HIS A 842 -60.687 82.064 14.763 1.00 2.43 C ATOM 1519 ND1 HIS A 842 -60.328 82.383 16.056 1.00 23.20 N ATOM 1520 CD2 HIS A 842 -59.584 81.530 14.189 1.00 42.12 C ATOM 1521 CE1 HIS A 842 -59.063 82.056 16.252 1.00 2.53 C ATOM 1522 NE2 HIS A 842 -58.588 81.536 15.135 1.00 53.53 N ATOM 0 H HIS A 842 -62.349 80.472 15.852 1.00 0.24 H new ATOM 0 HA HIS A 842 -63.059 83.237 15.869 1.00 21.24 H new ATOM 0 HB2 HIS A 842 -62.290 81.531 13.482 1.00 45.22 H new ATOM 0 HB3 HIS A 842 -62.066 83.258 13.682 1.00 45.22 H new ATOM 0 HD1 HIS A 842 -60.943 82.805 16.752 1.00 23.20 H new ATOM 0 HD2 HIS A 842 -59.502 81.167 13.175 1.00 42.12 H new ATOM 0 HE1 HIS A 842 -58.511 82.191 17.170 1.00 2.53 H new ATOM 1630 N ARG A 848 -65.151 69.561 14.684 1.00 74.14 N ATOM 1631 CA ARG A 848 -64.560 68.595 15.601 1.00 25.30 C ATOM 1632 C ARG A 848 -65.192 67.218 15.423 1.00 61.54 C ATOM 1633 O ARG A 848 -64.574 66.197 15.725 1.00 12.13 O ATOM 1634 CB ARG A 848 -64.730 69.062 17.048 1.00 42.34 C ATOM 1635 CG ARG A 848 -66.177 69.095 17.511 1.00 71.22 C ATOM 1636 CD ARG A 848 -66.570 67.798 18.201 1.00 12.11 C ATOM 1637 NE ARG A 848 -67.611 68.006 19.204 1.00 20.23 N ATOM 1638 CZ ARG A 848 -67.402 68.620 20.364 1.00 71.43 C ATOM 1639 NH1 ARG A 848 -66.197 69.084 20.664 1.00 31.01 N ATOM 1640 NH2 ARG A 848 -68.400 68.770 21.225 1.00 10.52 N ATOM 0 HA ARG A 848 -63.497 68.520 15.373 1.00 25.30 H new ATOM 0 HB2 ARG A 848 -64.163 68.401 17.703 1.00 42.34 H new ATOM 0 HB3 ARG A 848 -64.301 70.059 17.152 1.00 42.34 H new ATOM 0 HG2 ARG A 848 -66.322 69.931 18.195 1.00 71.22 H new ATOM 0 HG3 ARG A 848 -66.830 69.266 16.655 1.00 71.22 H new ATOM 0 HD2 ARG A 848 -66.921 67.083 17.457 1.00 12.11 H new ATOM 0 HD3 ARG A 848 -65.692 67.359 18.675 1.00 12.11 H new ATOM 0 HE ARG A 848 -68.550 67.661 19.003 1.00 20.23 H new ATOM 0 HH11 ARG A 848 -65.428 68.970 20.004 1.00 31.01 H new ATOM 0 HH12 ARG A 848 -66.039 69.555 21.555 1.00 31.01 H new ATOM 0 HH21 ARG A 848 -69.328 68.414 20.997 1.00 10.52 H new ATOM 0 HH22 ARG A 848 -68.239 69.241 22.115 1.00 10.52 H new ATOM 1654 N GLN A 849 -66.426 67.198 14.930 1.00 13.21 N ATOM 1655 CA GLN A 849 -67.142 65.947 14.713 1.00 30.50 C ATOM 1656 C GLN A 849 -66.305 64.977 13.886 1.00 64.04 C ATOM 1657 O GLN A 849 -66.318 63.770 14.123 1.00 13.03 O ATOM 1658 CB GLN A 849 -68.476 66.212 14.013 1.00 11.23 C ATOM 1659 CG GLN A 849 -69.607 66.554 14.970 1.00 51.33 C ATOM 1660 CD GLN A 849 -70.214 65.326 15.619 1.00 0.31 C ATOM 1661 OE1 GLN A 849 -69.822 64.197 15.325 1.00 24.45 O ATOM 1662 NE2 GLN A 849 -71.177 65.541 16.508 1.00 60.12 N ATOM 0 H GLN A 849 -66.951 68.034 14.673 1.00 13.21 H new ATOM 0 HA GLN A 849 -67.334 65.495 15.686 1.00 30.50 H new ATOM 0 HB2 GLN A 849 -68.349 67.031 13.306 1.00 11.23 H new ATOM 0 HB3 GLN A 849 -68.755 65.331 13.434 1.00 11.23 H new ATOM 0 HG2 GLN A 849 -69.232 67.222 15.745 1.00 51.33 H new ATOM 0 HG3 GLN A 849 -70.383 67.096 14.430 1.00 51.33 H new ATOM 0 HE21 GLN A 849 -71.471 66.494 16.721 1.00 60.12 H new ATOM 0 HE22 GLN A 849 -71.623 64.753 16.978 1.00 60.12 H new ATOM 1671 N GLY A 850 -65.576 65.514 12.912 1.00 42.13 N ATOM 1672 CA GLY A 850 -64.743 64.682 12.063 1.00 3.04 C ATOM 1673 C GLY A 850 -63.608 64.029 12.827 1.00 63.22 C ATOM 1674 O GLY A 850 -63.448 62.808 12.793 1.00 71.14 O ATOM 0 H GLY A 850 -65.547 66.510 12.696 1.00 42.13 H new ATOM 0 HA2 GLY A 850 -65.358 63.910 11.601 1.00 3.04 H new ATOM 0 HA3 GLY A 850 -64.332 65.288 11.256 1.00 3.04 H new ATOM 1678 N LEU A 851 -62.816 64.842 13.517 1.00 42.24 N ATOM 1679 CA LEU A 851 -61.688 64.337 14.291 1.00 23.41 C ATOM 1680 C LEU A 851 -62.146 63.290 15.302 1.00 54.41 C ATOM 1681 O LEU A 851 -61.535 62.231 15.433 1.00 24.03 O ATOM 1682 CB LEU A 851 -60.984 65.486 15.014 1.00 44.32 C ATOM 1683 CG LEU A 851 -59.462 65.381 15.120 1.00 62.21 C ATOM 1684 CD1 LEU A 851 -59.067 64.149 15.919 1.00 64.30 C ATOM 1685 CD2 LEU A 851 -58.832 65.345 13.735 1.00 1.31 C ATOM 0 H LEU A 851 -62.934 65.854 13.556 1.00 42.24 H new ATOM 0 HA LEU A 851 -60.988 63.867 13.601 1.00 23.41 H new ATOM 0 HB2 LEU A 851 -61.229 66.416 14.501 1.00 44.32 H new ATOM 0 HB3 LEU A 851 -61.394 65.560 16.021 1.00 44.32 H new ATOM 0 HG LEU A 851 -59.092 66.263 15.643 1.00 62.21 H new ATOM 0 HD11 LEU A 851 -57.981 64.090 15.984 1.00 64.30 H new ATOM 0 HD12 LEU A 851 -59.488 64.216 16.922 1.00 64.30 H new ATOM 0 HD13 LEU A 851 -59.449 63.256 15.424 1.00 64.30 H new ATOM 0 HD21 LEU A 851 -57.749 65.270 13.830 1.00 1.31 H new ATOM 0 HD22 LEU A 851 -59.209 64.482 13.186 1.00 1.31 H new ATOM 0 HD23 LEU A 851 -59.087 66.257 13.196 1.00 1.31 H new ATOM 1697 N GLU A 852 -63.228 63.595 16.012 1.00 52.31 N ATOM 1698 CA GLU A 852 -63.769 62.680 17.010 1.00 72.02 C ATOM 1699 C GLU A 852 -64.351 61.435 16.347 1.00 61.40 C ATOM 1700 O GLU A 852 -64.230 60.327 16.870 1.00 73.53 O ATOM 1701 CB GLU A 852 -64.846 63.378 17.844 1.00 60.55 C ATOM 1702 CG GLU A 852 -65.667 62.425 18.696 1.00 15.32 C ATOM 1703 CD GLU A 852 -65.803 62.896 20.131 1.00 13.51 C ATOM 1704 OE1 GLU A 852 -66.931 62.858 20.665 1.00 74.33 O ATOM 1705 OE2 GLU A 852 -64.780 63.304 20.720 1.00 32.14 O ATOM 0 H GLU A 852 -63.747 64.468 15.915 1.00 52.31 H new ATOM 0 HA GLU A 852 -62.954 62.374 17.666 1.00 72.02 H new ATOM 0 HB2 GLU A 852 -64.371 64.115 18.492 1.00 60.55 H new ATOM 0 HB3 GLU A 852 -65.514 63.923 17.177 1.00 60.55 H new ATOM 0 HG2 GLU A 852 -66.659 62.315 18.258 1.00 15.32 H new ATOM 0 HG3 GLU A 852 -65.202 61.439 18.683 1.00 15.32 H new ATOM 1712 N ARG A 853 -64.983 61.626 15.193 1.00 24.24 N ATOM 1713 CA ARG A 853 -65.585 60.519 14.460 1.00 41.34 C ATOM 1714 C ARG A 853 -64.539 59.465 14.110 1.00 25.05 C ATOM 1715 O ARG A 853 -64.751 58.271 14.323 1.00 34.04 O ATOM 1716 CB ARG A 853 -66.255 61.031 13.183 1.00 62.31 C ATOM 1717 CG ARG A 853 -66.727 59.922 12.257 1.00 70.12 C ATOM 1718 CD ARG A 853 -67.543 60.474 11.098 1.00 63.50 C ATOM 1719 NE ARG A 853 -68.254 59.420 10.379 1.00 44.05 N ATOM 1720 CZ ARG A 853 -68.766 59.577 9.163 1.00 63.11 C ATOM 1721 NH1 ARG A 853 -68.646 60.738 8.534 1.00 3.02 N ATOM 1722 NH2 ARG A 853 -69.399 58.571 8.574 1.00 61.25 N ATOM 0 H ARG A 853 -65.091 62.536 14.746 1.00 24.24 H new ATOM 0 HA ARG A 853 -66.338 60.059 15.100 1.00 41.34 H new ATOM 0 HB2 ARG A 853 -67.107 61.654 13.454 1.00 62.31 H new ATOM 0 HB3 ARG A 853 -65.553 61.668 12.645 1.00 62.31 H new ATOM 0 HG2 ARG A 853 -65.865 59.378 11.870 1.00 70.12 H new ATOM 0 HG3 ARG A 853 -67.329 59.208 12.820 1.00 70.12 H new ATOM 0 HD2 ARG A 853 -68.260 61.203 11.474 1.00 63.50 H new ATOM 0 HD3 ARG A 853 -66.883 61.002 10.409 1.00 63.50 H new ATOM 0 HE ARG A 853 -68.363 58.514 10.835 1.00 44.05 H new ATOM 0 HH11 ARG A 853 -68.160 61.514 8.984 1.00 3.02 H new ATOM 0 HH12 ARG A 853 -69.040 60.855 7.601 1.00 3.02 H new ATOM 0 HH21 ARG A 853 -69.493 57.676 9.055 1.00 61.25 H new ATOM 0 HH22 ARG A 853 -69.792 58.692 7.641 1.00 61.25 H new ATOM 1736 N ILE A 854 -63.410 59.915 13.573 1.00 24.41 N ATOM 1737 CA ILE A 854 -62.331 59.010 13.195 1.00 2.23 C ATOM 1738 C ILE A 854 -61.598 58.485 14.425 1.00 64.11 C ATOM 1739 O ILE A 854 -61.113 57.353 14.436 1.00 65.23 O ATOM 1740 CB ILE A 854 -61.318 59.701 12.263 1.00 25.24 C ATOM 1741 CG1 ILE A 854 -60.721 60.933 12.947 1.00 63.13 C ATOM 1742 CG2 ILE A 854 -61.983 60.086 10.951 1.00 43.44 C ATOM 1743 CD1 ILE A 854 -59.712 61.669 12.092 1.00 34.43 C ATOM 0 H ILE A 854 -63.219 60.900 13.390 1.00 24.41 H new ATOM 0 HA ILE A 854 -62.790 58.175 12.665 1.00 2.23 H new ATOM 0 HB ILE A 854 -60.510 59.002 12.046 1.00 25.24 H new ATOM 0 HG12 ILE A 854 -61.527 61.617 13.214 1.00 63.13 H new ATOM 0 HG13 ILE A 854 -60.242 60.626 13.877 1.00 63.13 H new ATOM 0 HG21 ILE A 854 -61.254 60.573 10.303 1.00 43.44 H new ATOM 0 HG22 ILE A 854 -62.364 59.191 10.460 1.00 43.44 H new ATOM 0 HG23 ILE A 854 -62.808 60.770 11.148 1.00 43.44 H new ATOM 0 HD11 ILE A 854 -59.330 62.531 12.640 1.00 34.43 H new ATOM 0 HD12 ILE A 854 -58.887 61.001 11.846 1.00 34.43 H new ATOM 0 HD13 ILE A 854 -60.191 62.007 11.173 1.00 34.43 H new ATOM 1755 N LEU A 855 -61.522 59.314 15.460 1.00 21.44 N ATOM 1756 CA LEU A 855 -60.849 58.933 16.698 1.00 75.43 C ATOM 1757 C LEU A 855 -61.569 57.769 17.372 1.00 24.12 C ATOM 1758 O LEU A 855 -60.940 56.917 18.001 1.00 25.04 O ATOM 1759 CB LEU A 855 -60.780 60.126 17.652 1.00 50.21 C ATOM 1760 CG LEU A 855 -59.405 60.775 17.817 1.00 71.24 C ATOM 1761 CD1 LEU A 855 -58.518 59.925 18.714 1.00 52.53 C ATOM 1762 CD2 LEU A 855 -58.749 60.985 16.460 1.00 42.31 C ATOM 0 H LEU A 855 -61.918 60.254 15.467 1.00 21.44 H new ATOM 0 HA LEU A 855 -59.836 58.616 16.450 1.00 75.43 H new ATOM 0 HB2 LEU A 855 -61.479 60.886 17.302 1.00 50.21 H new ATOM 0 HB3 LEU A 855 -61.127 59.802 18.633 1.00 50.21 H new ATOM 0 HG LEU A 855 -59.538 61.748 18.289 1.00 71.24 H new ATOM 0 HD11 LEU A 855 -57.544 60.402 18.820 1.00 52.53 H new ATOM 0 HD12 LEU A 855 -58.982 59.825 19.695 1.00 52.53 H new ATOM 0 HD13 LEU A 855 -58.392 58.937 18.270 1.00 52.53 H new ATOM 0 HD21 LEU A 855 -57.772 61.448 16.596 1.00 42.31 H new ATOM 0 HD22 LEU A 855 -58.629 60.023 15.961 1.00 42.31 H new ATOM 0 HD23 LEU A 855 -59.376 61.635 15.849 1.00 42.31 H new