USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=8 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) USER MOD Single : A 779 THR OG1 : rot -77:sc= 0.995 USER MOD Single : A 801 GLN : amide:sc= -0.647 K(o=-0.65,f=-3.2!) 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= -1.04 K(o=-1,f=-3.2) USER MOD Single : A 808 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 809 ASN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 810 SER OG : rot 180:sc= 0 USER MOD Single : A 813 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 816 ASN : amide:sc= -0.0805 K(o=-0.081,f=-1.2) USER MOD Single : A 818 THR OG1 : rot 83:sc= 1.27 USER MOD Single : A 826 THR OG1 : rot 37:sc= 0.251 USER MOD Single : A 834 GLN : amide:sc= -0.603 K(o=-0.6,f=-3.2!) USER MOD Single : A 837 TYR OH : rot 180:sc=-0.00415 USER MOD Single : A 842 HIS : no HD1:sc= -0.129 K(o=-0.13,f=-1.8) USER MOD Single : A 849 GLN : amide:sc= -0.0338 K(o=-0.034,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 261 N TYR A 768 -0.624 20.995 -10.005 1.00 73.21 N ATOM 262 CA TYR A 768 0.126 22.188 -10.378 1.00 13.30 C ATOM 263 C TYR A 768 -0.241 22.644 -11.787 1.00 64.32 C ATOM 264 O TYR A 768 -0.733 23.755 -11.985 1.00 71.00 O ATOM 265 CB TYR A 768 1.629 21.919 -10.291 1.00 50.35 C ATOM 266 CG TYR A 768 2.479 23.143 -10.550 1.00 71.32 C ATOM 267 CD1 TYR A 768 3.574 23.084 -11.404 1.00 54.21 C ATOM 268 CD2 TYR A 768 2.188 24.357 -9.940 1.00 63.33 C ATOM 269 CE1 TYR A 768 4.354 24.199 -11.643 1.00 55.11 C ATOM 270 CE2 TYR A 768 2.962 25.477 -10.175 1.00 13.04 C ATOM 271 CZ TYR A 768 4.043 25.393 -11.026 1.00 43.24 C ATOM 272 OH TYR A 768 4.817 26.507 -11.261 1.00 60.42 O ATOM 0 HA TYR A 768 -0.134 22.983 -9.680 1.00 13.30 H new ATOM 0 HB2 TYR A 768 1.863 21.527 -9.301 1.00 50.35 H new ATOM 0 HB3 TYR A 768 1.893 21.144 -11.011 1.00 50.35 H new ATOM 0 HD1 TYR A 768 3.819 22.151 -11.889 1.00 54.21 H new ATOM 0 HD2 TYR A 768 1.343 24.426 -9.271 1.00 63.33 H new ATOM 0 HE1 TYR A 768 5.202 24.136 -12.309 1.00 55.11 H new ATOM 0 HE2 TYR A 768 2.721 26.414 -9.694 1.00 13.04 H new ATOM 0 HH TYR A 768 4.463 27.265 -10.751 1.00 60.42 H new ATOM 282 N HIS A 769 0.003 21.776 -12.764 1.00 41.25 N ATOM 283 CA HIS A 769 -0.302 22.087 -14.157 1.00 3.35 C ATOM 284 C HIS A 769 -1.758 22.514 -14.311 1.00 52.44 C ATOM 285 O HIS A 769 -2.072 23.414 -15.091 1.00 4.43 O ATOM 286 CB HIS A 769 -0.016 20.877 -15.046 1.00 43.00 C ATOM 287 CG HIS A 769 0.383 21.241 -16.443 1.00 5.31 C ATOM 288 ND1 HIS A 769 1.651 21.670 -16.776 1.00 10.33 N ATOM 289 CD2 HIS A 769 -0.326 21.237 -17.596 1.00 24.01 C ATOM 290 CE1 HIS A 769 1.704 21.916 -18.073 1.00 32.23 C ATOM 291 NE2 HIS A 769 0.517 21.660 -18.594 1.00 4.31 N ATOM 0 H HIS A 769 0.411 20.853 -12.617 1.00 41.25 H new ATOM 0 HA HIS A 769 0.336 22.915 -14.467 1.00 3.35 H new ATOM 0 HB2 HIS A 769 0.778 20.283 -14.593 1.00 43.00 H new ATOM 0 HB3 HIS A 769 -0.904 20.246 -15.083 1.00 43.00 H new ATOM 0 HD2 HIS A 769 -1.362 20.954 -17.710 1.00 24.01 H new ATOM 0 HE1 HIS A 769 2.570 22.267 -18.615 1.00 32.23 H new ATOM 0 HE2 HIS A 769 0.267 21.760 -19.578 1.00 4.31 H new ATOM 299 N ARG A 770 -2.644 21.862 -13.565 1.00 4.41 N ATOM 300 CA ARG A 770 -4.067 22.174 -13.621 1.00 62.50 C ATOM 301 C ARG A 770 -4.333 23.593 -13.129 1.00 1.14 C ATOM 302 O ARG A 770 -4.891 24.418 -13.853 1.00 14.44 O ATOM 303 CB ARG A 770 -4.863 21.173 -12.781 1.00 2.23 C ATOM 304 CG ARG A 770 -6.179 21.727 -12.259 1.00 5.11 C ATOM 305 CD ARG A 770 -6.963 20.672 -11.495 1.00 11.13 C ATOM 306 NE ARG A 770 -8.357 21.061 -11.301 1.00 35.42 N ATOM 307 CZ ARG A 770 -9.274 20.264 -10.763 1.00 74.24 C ATOM 308 NH1 ARG A 770 -8.946 19.042 -10.368 1.00 61.31 N ATOM 309 NH2 ARG A 770 -10.523 20.689 -10.620 1.00 10.40 N ATOM 0 H ARG A 770 -2.401 21.114 -12.915 1.00 4.41 H new ATOM 0 HA ARG A 770 -4.388 22.103 -14.660 1.00 62.50 H new ATOM 0 HB2 ARG A 770 -5.065 20.286 -13.382 1.00 2.23 H new ATOM 0 HB3 ARG A 770 -4.252 20.854 -11.936 1.00 2.23 H new ATOM 0 HG2 ARG A 770 -5.984 22.579 -11.608 1.00 5.11 H new ATOM 0 HG3 ARG A 770 -6.777 22.094 -13.093 1.00 5.11 H new ATOM 0 HD2 ARG A 770 -6.922 19.727 -12.037 1.00 11.13 H new ATOM 0 HD3 ARG A 770 -6.495 20.504 -10.525 1.00 11.13 H new ATOM 0 HE ARG A 770 -8.642 21.995 -11.594 1.00 35.42 H new ATOM 0 HH11 ARG A 770 -7.987 18.711 -10.477 1.00 61.31 H new ATOM 0 HH12 ARG A 770 -9.652 18.433 -9.955 1.00 61.31 H new ATOM 0 HH21 ARG A 770 -10.780 21.628 -10.923 1.00 10.40 H new ATOM 0 HH22 ARG A 770 -11.226 20.076 -10.207 1.00 10.40 H new ATOM 323 N LEU A 771 -3.930 23.870 -11.893 1.00 52.35 N ATOM 324 CA LEU A 771 -4.125 25.190 -11.303 1.00 52.13 C ATOM 325 C LEU A 771 -3.610 26.284 -12.233 1.00 72.03 C ATOM 326 O LEU A 771 -4.296 27.276 -12.481 1.00 74.42 O ATOM 327 CB LEU A 771 -3.413 25.277 -9.952 1.00 71.42 C ATOM 328 CG LEU A 771 -4.183 24.726 -8.751 1.00 52.23 C ATOM 329 CD1 LEU A 771 -3.295 24.693 -7.517 1.00 61.03 C ATOM 330 CD2 LEU A 771 -5.430 25.558 -8.491 1.00 14.34 C ATOM 0 H LEU A 771 -3.467 23.199 -11.281 1.00 52.35 H new ATOM 0 HA LEU A 771 -5.194 25.339 -11.154 1.00 52.13 H new ATOM 0 HB2 LEU A 771 -2.466 24.742 -10.028 1.00 71.42 H new ATOM 0 HB3 LEU A 771 -3.174 26.322 -9.756 1.00 71.42 H new ATOM 0 HG LEU A 771 -4.492 23.706 -8.978 1.00 52.23 H new ATOM 0 HD11 LEU A 771 -3.860 24.298 -6.673 1.00 61.03 H new ATOM 0 HD12 LEU A 771 -2.432 24.055 -7.707 1.00 61.03 H new ATOM 0 HD13 LEU A 771 -2.955 25.703 -7.286 1.00 61.03 H new ATOM 0 HD21 LEU A 771 -5.966 25.152 -7.633 1.00 14.34 H new ATOM 0 HD22 LEU A 771 -5.143 26.589 -8.285 1.00 14.34 H new ATOM 0 HD23 LEU A 771 -6.076 25.530 -9.369 1.00 14.34 H new ATOM 342 N ARG A 772 -2.399 26.095 -12.747 1.00 1.24 N ATOM 343 CA ARG A 772 -1.792 27.065 -13.650 1.00 55.33 C ATOM 344 C ARG A 772 -2.519 27.087 -14.992 1.00 20.30 C ATOM 345 O ARG A 772 -2.552 28.110 -15.675 1.00 10.50 O ATOM 346 CB ARG A 772 -0.313 26.739 -13.864 1.00 52.53 C ATOM 347 CG ARG A 772 0.526 27.945 -14.254 1.00 51.40 C ATOM 348 CD ARG A 772 1.996 27.729 -13.930 1.00 50.25 C ATOM 349 NE ARG A 772 2.777 28.952 -14.091 1.00 45.45 N ATOM 350 CZ ARG A 772 4.105 28.984 -14.072 1.00 43.04 C ATOM 351 NH1 ARG A 772 4.796 27.865 -13.901 1.00 11.45 N ATOM 352 NH2 ARG A 772 4.745 30.136 -14.226 1.00 0.42 N ATOM 0 H ARG A 772 -1.819 25.279 -12.553 1.00 1.24 H new ATOM 0 HA ARG A 772 -1.877 28.051 -13.194 1.00 55.33 H new ATOM 0 HB2 ARG A 772 0.091 26.306 -12.949 1.00 52.53 H new ATOM 0 HB3 ARG A 772 -0.226 25.980 -14.641 1.00 52.53 H new ATOM 0 HG2 ARG A 772 0.412 28.139 -15.320 1.00 51.40 H new ATOM 0 HG3 ARG A 772 0.162 28.828 -13.728 1.00 51.40 H new ATOM 0 HD2 ARG A 772 2.092 27.370 -12.906 1.00 50.25 H new ATOM 0 HD3 ARG A 772 2.400 26.953 -14.580 1.00 50.25 H new ATOM 0 HE ARG A 772 2.276 29.830 -14.225 1.00 45.45 H new ATOM 0 HH11 ARG A 772 4.308 26.977 -13.784 1.00 11.45 H new ATOM 0 HH12 ARG A 772 5.816 27.892 -13.887 1.00 11.45 H new ATOM 0 HH21 ARG A 772 4.217 30.999 -14.359 1.00 0.42 H new ATOM 0 HH22 ARG A 772 5.765 30.159 -14.211 1.00 0.42 H new ATOM 366 N ASP A 773 -3.099 25.951 -15.363 1.00 21.41 N ATOM 367 CA ASP A 773 -3.825 25.839 -16.622 1.00 73.44 C ATOM 368 C ASP A 773 -5.112 26.658 -16.582 1.00 64.25 C ATOM 369 O ASP A 773 -5.329 27.534 -17.421 1.00 23.22 O ATOM 370 CB ASP A 773 -4.148 24.374 -16.921 1.00 60.31 C ATOM 371 CG ASP A 773 -4.965 24.207 -18.187 1.00 53.51 C ATOM 372 OD1 ASP A 773 -6.134 23.777 -18.087 1.00 43.43 O ATOM 373 OD2 ASP A 773 -4.437 24.508 -19.278 1.00 0.33 O ATOM 0 H ASP A 773 -3.080 25.095 -14.809 1.00 21.41 H new ATOM 0 HA ASP A 773 -3.189 26.232 -17.415 1.00 73.44 H new ATOM 0 HB2 ASP A 773 -3.219 23.812 -17.015 1.00 60.31 H new ATOM 0 HB3 ASP A 773 -4.695 23.947 -16.080 1.00 60.31 H new ATOM 378 N LEU A 774 -5.962 26.367 -15.604 1.00 60.13 N ATOM 379 CA LEU A 774 -7.228 27.076 -15.455 1.00 72.22 C ATOM 380 C LEU A 774 -6.993 28.548 -15.135 1.00 14.53 C ATOM 381 O LEU A 774 -7.686 29.426 -15.653 1.00 23.23 O ATOM 382 CB LEU A 774 -8.070 26.430 -14.353 1.00 51.22 C ATOM 383 CG LEU A 774 -8.598 25.026 -14.648 1.00 20.34 C ATOM 384 CD1 LEU A 774 -9.445 24.520 -13.490 1.00 53.43 C ATOM 385 CD2 LEU A 774 -9.399 25.017 -15.941 1.00 54.42 C ATOM 0 H LEU A 774 -5.798 25.645 -14.902 1.00 60.13 H new ATOM 0 HA LEU A 774 -7.767 27.011 -16.400 1.00 72.22 H new ATOM 0 HB2 LEU A 774 -7.471 26.387 -13.443 1.00 51.22 H new ATOM 0 HB3 LEU A 774 -8.920 27.080 -14.145 1.00 51.22 H new ATOM 0 HG LEU A 774 -7.746 24.357 -14.768 1.00 20.34 H new ATOM 0 HD11 LEU A 774 -9.812 23.519 -13.718 1.00 53.43 H new ATOM 0 HD12 LEU A 774 -8.840 24.487 -12.584 1.00 53.43 H new ATOM 0 HD13 LEU A 774 -10.291 25.191 -13.337 1.00 53.43 H new ATOM 0 HD21 LEU A 774 -9.767 24.009 -16.134 1.00 54.42 H new ATOM 0 HD22 LEU A 774 -10.244 25.700 -15.851 1.00 54.42 H new ATOM 0 HD23 LEU A 774 -8.762 25.335 -16.766 1.00 54.42 H new ATOM 397 N LEU A 775 -6.012 28.813 -14.280 1.00 2.14 N ATOM 398 CA LEU A 775 -5.683 30.180 -13.891 1.00 53.43 C ATOM 399 C LEU A 775 -5.211 30.990 -15.095 1.00 30.31 C ATOM 400 O LEU A 775 -5.647 32.122 -15.305 1.00 0.53 O ATOM 401 CB LEU A 775 -4.603 30.178 -12.808 1.00 51.32 C ATOM 402 CG LEU A 775 -5.074 29.848 -11.391 1.00 60.14 C ATOM 403 CD1 LEU A 775 -3.894 29.465 -10.512 1.00 64.13 C ATOM 404 CD2 LEU A 775 -5.828 31.026 -10.792 1.00 20.24 C ATOM 0 H LEU A 775 -5.430 28.099 -13.842 1.00 2.14 H new ATOM 0 HA LEU A 775 -6.585 30.645 -13.494 1.00 53.43 H new ATOM 0 HB2 LEU A 775 -3.835 29.459 -13.091 1.00 51.32 H new ATOM 0 HB3 LEU A 775 -4.130 31.160 -12.793 1.00 51.32 H new ATOM 0 HG LEU A 775 -5.753 28.997 -11.443 1.00 60.14 H new ATOM 0 HD11 LEU A 775 -4.249 29.234 -9.508 1.00 64.13 H new ATOM 0 HD12 LEU A 775 -3.396 28.591 -10.932 1.00 64.13 H new ATOM 0 HD13 LEU A 775 -3.190 30.296 -10.466 1.00 64.13 H new ATOM 0 HD21 LEU A 775 -6.156 30.773 -9.784 1.00 20.24 H new ATOM 0 HD22 LEU A 775 -5.172 31.896 -10.753 1.00 20.24 H new ATOM 0 HD23 LEU A 775 -6.697 31.254 -11.409 1.00 20.24 H new ATOM 416 N LEU A 776 -4.319 30.401 -15.884 1.00 33.20 N ATOM 417 CA LEU A 776 -3.789 31.066 -17.069 1.00 40.01 C ATOM 418 C LEU A 776 -4.899 31.353 -18.075 1.00 70.32 C ATOM 419 O LEU A 776 -5.043 32.479 -18.551 1.00 11.32 O ATOM 420 CB LEU A 776 -2.705 30.204 -17.720 1.00 14.42 C ATOM 421 CG LEU A 776 -1.309 30.305 -17.105 1.00 20.52 C ATOM 422 CD1 LEU A 776 -0.405 29.211 -17.652 1.00 60.12 C ATOM 423 CD2 LEU A 776 -0.708 31.677 -17.368 1.00 4.52 C ATOM 0 H LEU A 776 -3.948 29.464 -15.725 1.00 33.20 H new ATOM 0 HA LEU A 776 -3.352 32.015 -16.758 1.00 40.01 H new ATOM 0 HB2 LEU A 776 -3.024 29.162 -17.679 1.00 14.42 H new ATOM 0 HB3 LEU A 776 -2.637 30.475 -18.773 1.00 14.42 H new ATOM 0 HG LEU A 776 -1.397 30.170 -16.027 1.00 20.52 H new ATOM 0 HD11 LEU A 776 0.584 29.298 -17.203 1.00 60.12 H new ATOM 0 HD12 LEU A 776 -0.828 28.236 -17.411 1.00 60.12 H new ATOM 0 HD13 LEU A 776 -0.323 29.314 -18.734 1.00 60.12 H new ATOM 0 HD21 LEU A 776 0.286 31.730 -16.923 1.00 4.52 H new ATOM 0 HD22 LEU A 776 -0.633 31.842 -18.443 1.00 4.52 H new ATOM 0 HD23 LEU A 776 -1.345 32.444 -16.927 1.00 4.52 H new ATOM 435 N ILE A 777 -5.682 30.327 -18.393 1.00 3.10 N ATOM 436 CA ILE A 777 -6.781 30.470 -19.340 1.00 2.24 C ATOM 437 C ILE A 777 -7.731 31.584 -18.914 1.00 52.33 C ATOM 438 O ILE A 777 -7.946 32.547 -19.651 1.00 72.33 O ATOM 439 CB ILE A 777 -7.576 29.159 -19.482 1.00 21.24 C ATOM 440 CG1 ILE A 777 -6.663 28.034 -19.975 1.00 52.42 C ATOM 441 CG2 ILE A 777 -8.749 29.351 -20.431 1.00 14.05 C ATOM 442 CD1 ILE A 777 -7.109 26.657 -19.535 1.00 5.40 C ATOM 0 H ILE A 777 -5.576 29.388 -18.009 1.00 3.10 H new ATOM 0 HA ILE A 777 -6.337 30.722 -20.303 1.00 2.24 H new ATOM 0 HB ILE A 777 -7.968 28.881 -18.503 1.00 21.24 H new ATOM 0 HG12 ILE A 777 -6.620 28.063 -21.064 1.00 52.42 H new ATOM 0 HG13 ILE A 777 -5.651 28.213 -19.612 1.00 52.42 H new ATOM 0 HG21 ILE A 777 -9.301 28.415 -20.521 1.00 14.05 H new ATOM 0 HG22 ILE A 777 -9.409 30.126 -20.041 1.00 14.05 H new ATOM 0 HG23 ILE A 777 -8.379 29.649 -21.412 1.00 14.05 H new ATOM 0 HD11 ILE A 777 -6.416 25.910 -19.920 1.00 5.40 H new ATOM 0 HD12 ILE A 777 -7.125 26.610 -18.446 1.00 5.40 H new ATOM 0 HD13 ILE A 777 -8.109 26.458 -19.921 1.00 5.40 H new ATOM 454 N VAL A 778 -8.297 31.448 -17.719 1.00 41.11 N ATOM 455 CA VAL A 778 -9.222 32.444 -17.193 1.00 54.43 C ATOM 456 C VAL A 778 -8.617 33.842 -17.253 1.00 1.33 C ATOM 457 O VAL A 778 -9.171 34.745 -17.881 1.00 4.30 O ATOM 458 CB VAL A 778 -9.619 32.130 -15.739 1.00 24.15 C ATOM 459 CG1 VAL A 778 -10.552 33.201 -15.196 1.00 34.02 C ATOM 460 CG2 VAL A 778 -10.262 30.754 -15.647 1.00 44.34 C ATOM 0 H VAL A 778 -8.131 30.657 -17.097 1.00 41.11 H new ATOM 0 HA VAL A 778 -10.113 32.410 -17.820 1.00 54.43 H new ATOM 0 HB VAL A 778 -8.716 32.125 -15.128 1.00 24.15 H new ATOM 0 HG11 VAL A 778 -10.821 32.961 -14.167 1.00 34.02 H new ATOM 0 HG12 VAL A 778 -10.051 34.168 -15.224 1.00 34.02 H new ATOM 0 HG13 VAL A 778 -11.454 33.242 -15.807 1.00 34.02 H new ATOM 0 HG21 VAL A 778 -10.536 30.549 -14.612 1.00 44.34 H new ATOM 0 HG22 VAL A 778 -11.155 30.727 -16.271 1.00 44.34 H new ATOM 0 HG23 VAL A 778 -9.556 29.999 -15.992 1.00 44.34 H new ATOM 470 N THR A 779 -7.475 34.015 -16.594 1.00 42.24 N ATOM 471 CA THR A 779 -6.793 35.303 -16.571 1.00 54.33 C ATOM 472 C THR A 779 -6.599 35.848 -17.982 1.00 20.22 C ATOM 473 O THR A 779 -6.913 37.005 -18.259 1.00 51.42 O ATOM 474 CB THR A 779 -5.421 35.201 -15.879 1.00 71.53 C ATOM 475 OG1 THR A 779 -4.629 34.188 -16.510 1.00 42.32 O ATOM 476 CG2 THR A 779 -5.583 34.877 -14.402 1.00 11.24 C ATOM 0 H THR A 779 -7.003 33.279 -16.069 1.00 42.24 H new ATOM 0 HA THR A 779 -7.427 35.985 -16.005 1.00 54.33 H new ATOM 0 HB THR A 779 -4.920 36.164 -15.971 1.00 71.53 H new ATOM 0 HG1 THR A 779 -4.939 33.304 -16.223 1.00 42.32 H new ATOM 0 HG21 THR A 779 -4.601 34.810 -13.934 1.00 11.24 H new ATOM 0 HG22 THR A 779 -6.162 35.664 -13.918 1.00 11.24 H new ATOM 0 HG23 THR A 779 -6.102 33.925 -14.293 1.00 11.24 H new ATOM 484 N ARG A 780 -6.080 35.006 -18.870 1.00 10.13 N ATOM 485 CA ARG A 780 -5.843 35.404 -20.252 1.00 74.02 C ATOM 486 C ARG A 780 -7.104 36.004 -20.869 1.00 21.34 C ATOM 487 O ARG A 780 -7.077 37.110 -21.408 1.00 2.42 O ATOM 488 CB ARG A 780 -5.380 34.203 -21.079 1.00 33.01 C ATOM 489 CG ARG A 780 -3.871 34.115 -21.233 1.00 3.32 C ATOM 490 CD ARG A 780 -3.320 35.301 -22.009 1.00 51.23 C ATOM 491 NE ARG A 780 -1.909 35.128 -22.345 1.00 12.54 N ATOM 492 CZ ARG A 780 -1.481 34.404 -23.373 1.00 15.05 C ATOM 493 NH1 ARG A 780 -2.351 33.789 -24.162 1.00 32.54 N ATOM 494 NH2 ARG A 780 -0.181 34.294 -23.613 1.00 52.52 N ATOM 0 H ARG A 780 -5.816 34.044 -18.657 1.00 10.13 H new ATOM 0 HA ARG A 780 -5.060 36.163 -20.256 1.00 74.02 H new ATOM 0 HB2 ARG A 780 -5.743 33.288 -20.610 1.00 33.01 H new ATOM 0 HB3 ARG A 780 -5.835 34.256 -22.068 1.00 33.01 H new ATOM 0 HG2 ARG A 780 -3.405 34.075 -20.248 1.00 3.32 H new ATOM 0 HG3 ARG A 780 -3.610 33.190 -21.747 1.00 3.32 H new ATOM 0 HD2 ARG A 780 -3.897 35.435 -22.924 1.00 51.23 H new ATOM 0 HD3 ARG A 780 -3.443 36.209 -21.419 1.00 51.23 H new ATOM 0 HE ARG A 780 -1.214 35.589 -21.758 1.00 12.54 H new ATOM 0 HH11 ARG A 780 -3.351 33.871 -23.980 1.00 32.54 H new ATOM 0 HH12 ARG A 780 -2.020 33.234 -24.951 1.00 32.54 H new ATOM 0 HH21 ARG A 780 0.491 34.766 -23.008 1.00 52.52 H new ATOM 0 HH22 ARG A 780 0.147 33.738 -24.403 1.00 52.52 H new ATOM 508 N ILE A 781 -8.206 35.266 -20.785 1.00 63.33 N ATOM 509 CA ILE A 781 -9.475 35.725 -21.334 1.00 75.03 C ATOM 510 C ILE A 781 -9.908 37.039 -20.693 1.00 51.35 C ATOM 511 O ILE A 781 -10.474 37.909 -21.356 1.00 45.22 O ATOM 512 CB ILE A 781 -10.587 34.678 -21.133 1.00 52.41 C ATOM 513 CG1 ILE A 781 -10.196 33.354 -21.792 1.00 73.01 C ATOM 514 CG2 ILE A 781 -11.904 35.189 -21.698 1.00 51.24 C ATOM 515 CD1 ILE A 781 -11.048 32.185 -21.350 1.00 24.52 C ATOM 0 H ILE A 781 -8.245 34.348 -20.342 1.00 63.33 H new ATOM 0 HA ILE A 781 -9.320 35.878 -22.402 1.00 75.03 H new ATOM 0 HB ILE A 781 -10.715 34.506 -20.064 1.00 52.41 H new ATOM 0 HG12 ILE A 781 -10.272 33.460 -22.874 1.00 73.01 H new ATOM 0 HG13 ILE A 781 -9.152 33.139 -21.565 1.00 73.01 H new ATOM 0 HG21 ILE A 781 -12.680 34.438 -21.548 1.00 51.24 H new ATOM 0 HG22 ILE A 781 -12.186 36.109 -21.187 1.00 51.24 H new ATOM 0 HG23 ILE A 781 -11.791 35.386 -22.764 1.00 51.24 H new ATOM 0 HD11 ILE A 781 -10.715 31.280 -21.857 1.00 24.52 H new ATOM 0 HD12 ILE A 781 -10.954 32.053 -20.272 1.00 24.52 H new ATOM 0 HD13 ILE A 781 -12.091 32.379 -21.602 1.00 24.52 H new ATOM 527 N VAL A 782 -9.637 37.178 -19.400 1.00 1.14 N ATOM 528 CA VAL A 782 -9.995 38.388 -18.669 1.00 32.22 C ATOM 529 C VAL A 782 -9.270 39.605 -19.232 1.00 12.02 C ATOM 530 O VAL A 782 -9.872 40.660 -19.432 1.00 63.54 O ATOM 531 CB VAL A 782 -9.666 38.256 -17.170 1.00 14.12 C ATOM 532 CG1 VAL A 782 -10.031 39.533 -16.429 1.00 11.43 C ATOM 533 CG2 VAL A 782 -10.387 37.058 -16.570 1.00 62.11 C ATOM 0 H VAL A 782 -9.170 36.467 -18.836 1.00 1.14 H new ATOM 0 HA VAL A 782 -11.070 38.523 -18.787 1.00 32.22 H new ATOM 0 HB VAL A 782 -8.593 38.096 -17.064 1.00 14.12 H new ATOM 0 HG11 VAL A 782 -9.792 39.421 -15.372 1.00 11.43 H new ATOM 0 HG12 VAL A 782 -9.466 40.368 -16.843 1.00 11.43 H new ATOM 0 HG13 VAL A 782 -11.098 39.726 -16.541 1.00 11.43 H new ATOM 0 HG21 VAL A 782 -10.143 36.980 -15.511 1.00 62.11 H new ATOM 0 HG22 VAL A 782 -11.463 37.185 -16.686 1.00 62.11 H new ATOM 0 HG23 VAL A 782 -10.072 36.149 -17.083 1.00 62.11 H new ATOM 543 N GLU A 783 -7.974 39.451 -19.485 1.00 73.50 N ATOM 544 CA GLU A 783 -7.167 40.538 -20.025 1.00 52.31 C ATOM 545 C GLU A 783 -7.475 40.762 -21.503 1.00 24.01 C ATOM 546 O GLU A 783 -7.347 41.876 -22.014 1.00 21.52 O ATOM 547 CB GLU A 783 -5.678 40.237 -19.842 1.00 51.45 C ATOM 548 CG GLU A 783 -4.806 41.481 -19.809 1.00 24.23 C ATOM 549 CD GLU A 783 -3.362 41.171 -19.464 1.00 2.21 C ATOM 550 OE1 GLU A 783 -3.059 39.992 -19.186 1.00 23.10 O ATOM 551 OE2 GLU A 783 -2.535 42.107 -19.472 1.00 14.34 O ATOM 0 H GLU A 783 -7.461 38.584 -19.325 1.00 73.50 H new ATOM 0 HA GLU A 783 -7.416 41.448 -19.478 1.00 52.31 H new ATOM 0 HB2 GLU A 783 -5.539 39.681 -18.914 1.00 51.45 H new ATOM 0 HB3 GLU A 783 -5.344 39.591 -20.654 1.00 51.45 H new ATOM 0 HG2 GLU A 783 -4.846 41.974 -20.780 1.00 24.23 H new ATOM 0 HG3 GLU A 783 -5.208 42.183 -19.078 1.00 24.23 H new ATOM 850 N LEU A 800 -24.126 54.101 -12.603 1.00 40.11 N ATOM 851 CA LEU A 800 -24.382 53.739 -11.214 1.00 35.55 C ATOM 852 C LEU A 800 -24.297 54.962 -10.307 1.00 4.12 C ATOM 853 O LEU A 800 -25.263 55.314 -9.631 1.00 52.14 O ATOM 854 CB LEU A 800 -23.385 52.676 -10.751 1.00 24.53 C ATOM 855 CG LEU A 800 -23.815 51.221 -10.945 1.00 43.13 C ATOM 856 CD1 LEU A 800 -22.674 50.276 -10.600 1.00 50.41 C ATOM 857 CD2 LEU A 800 -25.042 50.910 -10.100 1.00 45.15 C ATOM 0 HA LEU A 800 -25.392 53.333 -11.151 1.00 35.55 H new ATOM 0 HB2 LEU A 800 -22.447 52.830 -11.284 1.00 24.53 H new ATOM 0 HB3 LEU A 800 -23.181 52.835 -9.692 1.00 24.53 H new ATOM 0 HG LEU A 800 -24.075 51.076 -11.994 1.00 43.13 H new ATOM 0 HD11 LEU A 800 -22.999 49.246 -10.744 1.00 50.41 H new ATOM 0 HD12 LEU A 800 -21.822 50.482 -11.248 1.00 50.41 H new ATOM 0 HD13 LEU A 800 -22.382 50.422 -9.560 1.00 50.41 H new ATOM 0 HD21 LEU A 800 -25.334 49.871 -10.251 1.00 45.15 H new ATOM 0 HD22 LEU A 800 -24.810 51.073 -9.048 1.00 45.15 H new ATOM 0 HD23 LEU A 800 -25.863 51.564 -10.396 1.00 45.15 H new ATOM 869 N GLN A 801 -23.134 55.606 -10.299 1.00 51.33 N ATOM 870 CA GLN A 801 -22.923 56.792 -9.477 1.00 34.54 C ATOM 871 C GLN A 801 -23.835 57.931 -9.920 1.00 44.24 C ATOM 872 O GLN A 801 -24.287 58.732 -9.102 1.00 42.30 O ATOM 873 CB GLN A 801 -21.461 57.235 -9.548 1.00 71.43 C ATOM 874 CG GLN A 801 -20.504 56.293 -8.835 1.00 74.32 C ATOM 875 CD GLN A 801 -20.693 56.298 -7.331 1.00 5.40 C ATOM 876 OE1 GLN A 801 -21.598 56.950 -6.810 1.00 33.45 O ATOM 877 NE2 GLN A 801 -19.836 55.571 -6.624 1.00 63.21 N ATOM 0 H GLN A 801 -22.324 55.327 -10.852 1.00 51.33 H new ATOM 0 HA GLN A 801 -23.167 56.536 -8.446 1.00 34.54 H new ATOM 0 HB2 GLN A 801 -21.165 57.317 -10.594 1.00 71.43 H new ATOM 0 HB3 GLN A 801 -21.370 58.230 -9.112 1.00 71.43 H new ATOM 0 HG2 GLN A 801 -20.648 55.281 -9.212 1.00 74.32 H new ATOM 0 HG3 GLN A 801 -19.478 56.577 -9.069 1.00 74.32 H new ATOM 0 HE21 GLN A 801 -19.101 55.046 -7.097 1.00 63.21 H new ATOM 0 HE22 GLN A 801 -19.913 55.538 -5.607 1.00 63.21 H new ATOM 886 N TYR A 802 -24.100 57.998 -11.220 1.00 62.12 N ATOM 887 CA TYR A 802 -24.955 59.041 -11.773 1.00 40.42 C ATOM 888 C TYR A 802 -26.368 58.945 -11.206 1.00 40.20 C ATOM 889 O TYR A 802 -26.870 59.890 -10.598 1.00 53.51 O ATOM 890 CB TYR A 802 -24.998 58.940 -13.299 1.00 22.42 C ATOM 891 CG TYR A 802 -26.081 59.784 -13.932 1.00 22.31 C ATOM 892 CD1 TYR A 802 -26.326 61.079 -13.492 1.00 23.34 C ATOM 893 CD2 TYR A 802 -26.860 59.286 -14.969 1.00 42.21 C ATOM 894 CE1 TYR A 802 -27.315 61.854 -14.066 1.00 63.54 C ATOM 895 CE2 TYR A 802 -27.850 60.054 -15.551 1.00 3.32 C ATOM 896 CZ TYR A 802 -28.074 61.337 -15.096 1.00 5.01 C ATOM 897 OH TYR A 802 -29.060 62.105 -15.672 1.00 23.23 O ATOM 0 H TYR A 802 -23.735 57.342 -11.910 1.00 62.12 H new ATOM 0 HA TYR A 802 -24.535 60.006 -11.491 1.00 40.42 H new ATOM 0 HB2 TYR A 802 -24.031 59.242 -13.702 1.00 22.42 H new ATOM 0 HB3 TYR A 802 -25.149 57.898 -13.582 1.00 22.42 H new ATOM 0 HD1 TYR A 802 -25.733 61.487 -12.687 1.00 23.34 H new ATOM 0 HD2 TYR A 802 -26.689 58.281 -15.326 1.00 42.21 H new ATOM 0 HE1 TYR A 802 -27.493 62.858 -13.711 1.00 63.54 H new ATOM 0 HE2 TYR A 802 -28.445 59.652 -16.358 1.00 3.32 H new ATOM 0 HH TYR A 802 -29.500 61.593 -16.383 1.00 23.23 H new ATOM 907 N TRP A 803 -27.003 57.797 -11.409 1.00 64.52 N ATOM 908 CA TRP A 803 -28.358 57.575 -10.918 1.00 0.11 C ATOM 909 C TRP A 803 -28.416 57.711 -9.400 1.00 50.45 C ATOM 910 O TRP A 803 -29.277 58.408 -8.863 1.00 73.41 O ATOM 911 CB TRP A 803 -28.855 56.191 -11.337 1.00 63.44 C ATOM 912 CG TRP A 803 -28.948 56.018 -12.823 1.00 62.13 C ATOM 913 CD1 TRP A 803 -28.405 55.009 -13.567 1.00 3.32 C ATOM 914 CD2 TRP A 803 -29.623 56.880 -13.746 1.00 0.25 C ATOM 915 NE1 TRP A 803 -28.702 55.193 -14.896 1.00 23.42 N ATOM 916 CE2 TRP A 803 -29.449 56.333 -15.032 1.00 23.43 C ATOM 917 CE3 TRP A 803 -30.359 58.060 -13.610 1.00 54.00 C ATOM 918 CZ2 TRP A 803 -29.983 56.927 -16.172 1.00 33.42 C ATOM 919 CZ3 TRP A 803 -30.889 58.648 -14.743 1.00 10.44 C ATOM 920 CH2 TRP A 803 -30.700 58.081 -16.010 1.00 2.21 C ATOM 0 H TRP A 803 -26.601 57.005 -11.911 1.00 64.52 H new ATOM 0 HA TRP A 803 -29.005 58.334 -11.358 1.00 0.11 H new ATOM 0 HB2 TRP A 803 -28.184 55.434 -10.932 1.00 63.44 H new ATOM 0 HB3 TRP A 803 -29.836 56.016 -10.896 1.00 63.44 H new ATOM 0 HD1 TRP A 803 -27.827 54.188 -13.169 1.00 3.32 H new ATOM 0 HE1 TRP A 803 -28.413 54.580 -15.658 1.00 23.42 H new ATOM 0 HE3 TRP A 803 -30.511 58.504 -12.637 1.00 54.00 H new ATOM 0 HZ2 TRP A 803 -29.837 56.492 -17.150 1.00 33.42 H new ATOM 0 HZ3 TRP A 803 -31.459 59.561 -14.650 1.00 10.44 H new ATOM 0 HH2 TRP A 803 -31.129 58.564 -16.876 1.00 2.21 H new ATOM 931 N SER A 804 -27.494 57.043 -8.715 1.00 34.32 N ATOM 932 CA SER A 804 -27.444 57.087 -7.258 1.00 64.11 C ATOM 933 C SER A 804 -27.440 58.528 -6.758 1.00 42.42 C ATOM 934 O SER A 804 -28.347 58.949 -6.041 1.00 4.35 O ATOM 935 CB SER A 804 -26.201 56.355 -6.748 1.00 20.14 C ATOM 936 OG SER A 804 -26.382 55.912 -5.414 1.00 31.22 O ATOM 0 H SER A 804 -26.772 56.465 -9.145 1.00 34.32 H new ATOM 0 HA SER A 804 -28.334 56.590 -6.873 1.00 64.11 H new ATOM 0 HB2 SER A 804 -25.988 55.502 -7.392 1.00 20.14 H new ATOM 0 HB3 SER A 804 -25.337 57.018 -6.800 1.00 20.14 H new ATOM 0 HG SER A 804 -25.575 55.446 -5.112 1.00 31.22 H new ATOM 942 N GLN A 805 -26.413 59.279 -7.143 1.00 62.13 N ATOM 943 CA GLN A 805 -26.290 60.673 -6.734 1.00 31.01 C ATOM 944 C GLN A 805 -27.467 61.497 -7.247 1.00 23.40 C ATOM 945 O GLN A 805 -27.893 62.455 -6.603 1.00 21.41 O ATOM 946 CB GLN A 805 -24.976 61.264 -7.248 1.00 30.32 C ATOM 947 CG GLN A 805 -24.868 62.767 -7.053 1.00 4.41 C ATOM 948 CD GLN A 805 -24.905 63.171 -5.592 1.00 72.21 C ATOM 949 OE1 GLN A 805 -25.888 62.922 -4.893 1.00 4.05 O ATOM 950 NE2 GLN A 805 -23.833 63.797 -5.123 1.00 5.22 N ATOM 0 H GLN A 805 -25.654 58.945 -7.737 1.00 62.13 H new ATOM 0 HA GLN A 805 -26.294 60.707 -5.645 1.00 31.01 H new ATOM 0 HB2 GLN A 805 -24.144 60.779 -6.737 1.00 30.32 H new ATOM 0 HB3 GLN A 805 -24.875 61.035 -8.309 1.00 30.32 H new ATOM 0 HG2 GLN A 805 -23.940 63.122 -7.501 1.00 4.41 H new ATOM 0 HG3 GLN A 805 -25.685 63.258 -7.582 1.00 4.41 H new ATOM 0 HE21 GLN A 805 -23.041 63.983 -5.738 1.00 5.22 H new ATOM 0 HE22 GLN A 805 -23.801 64.092 -4.147 1.00 5.22 H new ATOM 959 N GLU A 806 -27.986 61.117 -8.410 1.00 72.32 N ATOM 960 CA GLU A 806 -29.113 61.822 -9.009 1.00 71.05 C ATOM 961 C GLU A 806 -30.349 61.728 -8.120 1.00 32.04 C ATOM 962 O GLU A 806 -31.004 62.733 -7.838 1.00 63.14 O ATOM 963 CB GLU A 806 -29.423 61.250 -10.394 1.00 73.22 C ATOM 964 CG GLU A 806 -30.753 61.718 -10.962 1.00 63.52 C ATOM 965 CD GLU A 806 -30.812 63.222 -11.146 1.00 22.51 C ATOM 966 OE1 GLU A 806 -29.797 63.806 -11.580 1.00 22.14 O ATOM 967 OE2 GLU A 806 -31.872 63.814 -10.856 1.00 50.10 O ATOM 0 H GLU A 806 -27.645 60.326 -8.956 1.00 72.32 H new ATOM 0 HA GLU A 806 -28.839 62.872 -9.110 1.00 71.05 H new ATOM 0 HB2 GLU A 806 -28.625 61.531 -11.081 1.00 73.22 H new ATOM 0 HB3 GLU A 806 -29.425 60.162 -10.336 1.00 73.22 H new ATOM 0 HG2 GLU A 806 -30.925 61.231 -11.922 1.00 63.52 H new ATOM 0 HG3 GLU A 806 -31.558 61.405 -10.297 1.00 63.52 H new ATOM 974 N LEU A 807 -30.663 60.514 -7.680 1.00 13.40 N ATOM 975 CA LEU A 807 -31.821 60.287 -6.822 1.00 52.41 C ATOM 976 C LEU A 807 -31.600 60.889 -5.438 1.00 42.00 C ATOM 977 O LEU A 807 -32.534 61.385 -4.808 1.00 1.31 O ATOM 978 CB LEU A 807 -32.104 58.789 -6.700 1.00 54.11 C ATOM 979 CG LEU A 807 -32.979 58.180 -7.796 1.00 73.03 C ATOM 980 CD1 LEU A 807 -32.978 56.662 -7.698 1.00 54.43 C ATOM 981 CD2 LEU A 807 -34.399 58.721 -7.708 1.00 2.11 C ATOM 0 H LEU A 807 -30.132 59.672 -7.903 1.00 13.40 H new ATOM 0 HA LEU A 807 -32.681 60.777 -7.278 1.00 52.41 H new ATOM 0 HB2 LEU A 807 -31.151 58.259 -6.687 1.00 54.11 H new ATOM 0 HB3 LEU A 807 -32.583 58.607 -5.738 1.00 54.11 H new ATOM 0 HG LEU A 807 -32.564 58.462 -8.764 1.00 73.03 H new ATOM 0 HD11 LEU A 807 -33.606 56.246 -8.486 1.00 54.43 H new ATOM 0 HD12 LEU A 807 -31.960 56.291 -7.812 1.00 54.43 H new ATOM 0 HD13 LEU A 807 -33.368 56.360 -6.726 1.00 54.43 H new ATOM 0 HD21 LEU A 807 -35.007 58.276 -8.496 1.00 2.11 H new ATOM 0 HD22 LEU A 807 -34.824 58.470 -6.736 1.00 2.11 H new ATOM 0 HD23 LEU A 807 -34.384 59.804 -7.829 1.00 2.11 H new ATOM 993 N LYS A 808 -30.357 60.843 -4.971 1.00 2.42 N ATOM 994 CA LYS A 808 -30.010 61.387 -3.663 1.00 31.32 C ATOM 995 C LYS A 808 -30.110 62.909 -3.662 1.00 70.20 C ATOM 996 O LYS A 808 -30.851 63.491 -2.871 1.00 60.12 O ATOM 997 CB LYS A 808 -28.595 60.958 -3.268 1.00 72.42 C ATOM 998 CG LYS A 808 -28.267 61.213 -1.807 1.00 74.23 C ATOM 999 CD LYS A 808 -26.956 60.557 -1.407 1.00 51.42 C ATOM 1000 CE LYS A 808 -25.763 61.288 -2.005 1.00 31.43 C ATOM 1001 NZ LYS A 808 -24.493 60.538 -1.796 1.00 51.33 N ATOM 0 H LYS A 808 -29.573 60.434 -5.479 1.00 2.42 H new ATOM 0 HA LYS A 808 -30.719 60.994 -2.935 1.00 31.32 H new ATOM 0 HB2 LYS A 808 -28.475 59.895 -3.478 1.00 72.42 H new ATOM 0 HB3 LYS A 808 -27.876 61.490 -3.891 1.00 72.42 H new ATOM 0 HG2 LYS A 808 -28.207 62.287 -1.629 1.00 74.23 H new ATOM 0 HG3 LYS A 808 -29.072 60.830 -1.180 1.00 74.23 H new ATOM 0 HD2 LYS A 808 -26.870 60.546 -0.320 1.00 51.42 H new ATOM 0 HD3 LYS A 808 -26.951 59.519 -1.738 1.00 51.42 H new ATOM 0 HE2 LYS A 808 -25.926 61.437 -3.072 1.00 31.43 H new ATOM 0 HE3 LYS A 808 -25.679 62.277 -1.554 1.00 31.43 H new ATOM 0 HZ1 LYS A 808 -23.704 61.068 -2.217 1.00 51.33 H new ATOM 0 HZ2 LYS A 808 -24.325 60.418 -0.777 1.00 51.33 H new ATOM 0 HZ3 LYS A 808 -24.563 59.604 -2.248 1.00 51.33 H new ATOM 1015 N ASN A 809 -29.360 63.547 -4.555 1.00 20.14 N ATOM 1016 CA ASN A 809 -29.365 65.002 -4.657 1.00 33.20 C ATOM 1017 C ASN A 809 -30.773 65.523 -4.930 1.00 61.33 C ATOM 1018 O ASN A 809 -31.219 66.489 -4.312 1.00 33.23 O ATOM 1019 CB ASN A 809 -28.416 65.459 -5.766 1.00 42.21 C ATOM 1020 CG ASN A 809 -28.486 66.955 -6.007 1.00 74.22 C ATOM 1021 OD1 ASN A 809 -29.236 67.422 -6.864 1.00 75.24 O ATOM 1022 ND2 ASN A 809 -27.703 67.714 -5.250 1.00 23.40 N ATOM 0 H ASN A 809 -28.742 63.080 -5.218 1.00 20.14 H new ATOM 0 HA ASN A 809 -29.024 65.410 -3.705 1.00 33.20 H new ATOM 0 HB2 ASN A 809 -27.395 65.184 -5.503 1.00 42.21 H new ATOM 0 HB3 ASN A 809 -28.660 64.933 -6.689 1.00 42.21 H new ATOM 0 HD21 ASN A 809 -27.708 68.727 -5.367 1.00 23.40 H new ATOM 0 HD22 ASN A 809 -27.097 67.284 -4.551 1.00 23.40 H new ATOM 1029 N SER A 810 -31.467 64.875 -5.861 1.00 14.44 N ATOM 1030 CA SER A 810 -32.823 65.275 -6.218 1.00 74.15 C ATOM 1031 C SER A 810 -33.767 65.120 -5.030 1.00 31.42 C ATOM 1032 O SER A 810 -34.495 66.047 -4.676 1.00 71.41 O ATOM 1033 CB SER A 810 -33.329 64.441 -7.398 1.00 2.34 C ATOM 1034 OG SER A 810 -34.544 64.963 -7.907 1.00 60.21 O ATOM 0 H SER A 810 -31.113 64.072 -6.381 1.00 14.44 H new ATOM 0 HA SER A 810 -32.801 66.326 -6.507 1.00 74.15 H new ATOM 0 HB2 SER A 810 -32.577 64.427 -8.187 1.00 2.34 H new ATOM 0 HB3 SER A 810 -33.477 63.409 -7.081 1.00 2.34 H new ATOM 0 HG SER A 810 -34.846 64.414 -8.661 1.00 60.21 H new ATOM 1040 N ALA A 811 -33.748 63.940 -4.417 1.00 50.33 N ATOM 1041 CA ALA A 811 -34.600 63.663 -3.267 1.00 64.14 C ATOM 1042 C ALA A 811 -34.453 64.744 -2.202 1.00 40.11 C ATOM 1043 O ALA A 811 -35.442 65.318 -1.746 1.00 3.25 O ATOM 1044 CB ALA A 811 -34.271 62.297 -2.684 1.00 65.43 C ATOM 0 H ALA A 811 -33.152 63.161 -4.698 1.00 50.33 H new ATOM 0 HA ALA A 811 -35.636 63.662 -3.605 1.00 64.14 H new ATOM 0 HB1 ALA A 811 -34.915 62.103 -1.826 1.00 65.43 H new ATOM 0 HB2 ALA A 811 -34.434 61.530 -3.441 1.00 65.43 H new ATOM 0 HB3 ALA A 811 -33.228 62.278 -2.367 1.00 65.43 H new ATOM 1050 N VAL A 812 -33.213 65.017 -1.809 1.00 63.12 N ATOM 1051 CA VAL A 812 -32.937 66.030 -0.797 1.00 63.24 C ATOM 1052 C VAL A 812 -33.370 67.412 -1.271 1.00 52.54 C ATOM 1053 O VAL A 812 -33.866 68.221 -0.488 1.00 71.00 O ATOM 1054 CB VAL A 812 -31.440 66.069 -0.436 1.00 60.11 C ATOM 1055 CG1 VAL A 812 -31.176 67.117 0.634 1.00 10.20 C ATOM 1056 CG2 VAL A 812 -30.967 64.697 0.021 1.00 3.42 C ATOM 0 H VAL A 812 -32.383 64.551 -2.176 1.00 63.12 H new ATOM 0 HA VAL A 812 -33.510 65.757 0.089 1.00 63.24 H new ATOM 0 HB VAL A 812 -30.876 66.344 -1.327 1.00 60.11 H new ATOM 0 HG11 VAL A 812 -30.113 67.130 0.876 1.00 10.20 H new ATOM 0 HG12 VAL A 812 -31.476 68.098 0.265 1.00 10.20 H new ATOM 0 HG13 VAL A 812 -31.749 66.875 1.529 1.00 10.20 H new ATOM 0 HG21 VAL A 812 -29.907 64.742 0.272 1.00 3.42 H new ATOM 0 HG22 VAL A 812 -31.535 64.390 0.899 1.00 3.42 H new ATOM 0 HG23 VAL A 812 -31.119 63.974 -0.780 1.00 3.42 H new ATOM 1066 N ASN A 813 -33.180 67.677 -2.560 1.00 23.21 N ATOM 1067 CA ASN A 813 -33.551 68.963 -3.139 1.00 72.44 C ATOM 1068 C ASN A 813 -35.065 69.148 -3.126 1.00 54.21 C ATOM 1069 O ASN A 813 -35.565 70.256 -2.926 1.00 45.53 O ATOM 1070 CB ASN A 813 -33.025 69.071 -4.572 1.00 74.11 C ATOM 1071 CG ASN A 813 -33.186 70.467 -5.143 1.00 60.40 C ATOM 1072 OD1 ASN A 813 -32.926 71.460 -4.465 1.00 2.53 O ATOM 1073 ND2 ASN A 813 -33.617 70.547 -6.397 1.00 21.14 N ATOM 0 H ASN A 813 -32.771 67.018 -3.223 1.00 23.21 H new ATOM 0 HA ASN A 813 -33.101 69.750 -2.534 1.00 72.44 H new ATOM 0 HB2 ASN A 813 -31.971 68.793 -4.591 1.00 74.11 H new ATOM 0 HB3 ASN A 813 -33.554 68.359 -5.205 1.00 74.11 H new ATOM 0 HD21 ASN A 813 -33.745 71.459 -6.835 1.00 21.14 H new ATOM 0 HD22 ASN A 813 -33.820 69.696 -6.922 1.00 21.14 H new ATOM 1080 N LEU A 814 -35.791 68.056 -3.339 1.00 55.44 N ATOM 1081 CA LEU A 814 -37.250 68.098 -3.351 1.00 63.44 C ATOM 1082 C LEU A 814 -37.800 68.320 -1.946 1.00 62.41 C ATOM 1083 O LEU A 814 -38.724 69.109 -1.747 1.00 41.31 O ATOM 1084 CB LEU A 814 -37.811 66.799 -3.932 1.00 34.41 C ATOM 1085 CG LEU A 814 -39.211 66.886 -4.542 1.00 44.14 C ATOM 1086 CD1 LEU A 814 -39.144 67.462 -5.948 1.00 75.04 C ATOM 1087 CD2 LEU A 814 -39.873 65.516 -4.556 1.00 13.32 C ATOM 0 H LEU A 814 -35.394 67.131 -3.506 1.00 55.44 H new ATOM 0 HA LEU A 814 -37.561 68.934 -3.978 1.00 63.44 H new ATOM 0 HB2 LEU A 814 -37.124 66.441 -4.699 1.00 34.41 H new ATOM 0 HB3 LEU A 814 -37.827 66.048 -3.142 1.00 34.41 H new ATOM 0 HG LEU A 814 -39.815 67.552 -3.926 1.00 44.14 H new ATOM 0 HD11 LEU A 814 -40.149 67.517 -6.367 1.00 75.04 H new ATOM 0 HD12 LEU A 814 -38.711 68.462 -5.911 1.00 75.04 H new ATOM 0 HD13 LEU A 814 -38.524 66.821 -6.575 1.00 75.04 H new ATOM 0 HD21 LEU A 814 -40.868 65.597 -4.993 1.00 13.32 H new ATOM 0 HD22 LEU A 814 -39.271 64.827 -5.149 1.00 13.32 H new ATOM 0 HD23 LEU A 814 -39.955 65.141 -3.536 1.00 13.32 H new ATOM 1099 N LEU A 815 -37.225 67.620 -0.974 1.00 61.02 N ATOM 1100 CA LEU A 815 -37.656 67.742 0.414 1.00 2.02 C ATOM 1101 C LEU A 815 -37.412 69.154 0.938 1.00 73.12 C ATOM 1102 O LEU A 815 -38.311 69.784 1.492 1.00 14.25 O ATOM 1103 CB LEU A 815 -36.918 66.727 1.289 1.00 42.10 C ATOM 1104 CG LEU A 815 -37.145 65.254 0.946 1.00 52.51 C ATOM 1105 CD1 LEU A 815 -36.037 64.393 1.531 1.00 33.34 C ATOM 1106 CD2 LEU A 815 -38.505 64.793 1.450 1.00 41.31 C ATOM 0 H LEU A 815 -36.459 66.962 -1.122 1.00 61.02 H new ATOM 0 HA LEU A 815 -38.726 67.539 0.455 1.00 2.02 H new ATOM 0 HB2 LEU A 815 -35.849 66.933 1.227 1.00 42.10 H new ATOM 0 HB3 LEU A 815 -37.214 66.888 2.326 1.00 42.10 H new ATOM 0 HG LEU A 815 -37.126 65.146 -0.138 1.00 52.51 H new ATOM 0 HD11 LEU A 815 -36.215 63.348 1.277 1.00 33.34 H new ATOM 0 HD12 LEU A 815 -35.077 64.707 1.121 1.00 33.34 H new ATOM 0 HD13 LEU A 815 -36.023 64.505 2.615 1.00 33.34 H new ATOM 0 HD21 LEU A 815 -38.650 63.743 1.197 1.00 41.31 H new ATOM 0 HD22 LEU A 815 -38.553 64.916 2.532 1.00 41.31 H new ATOM 0 HD23 LEU A 815 -39.288 65.390 0.982 1.00 41.31 H new ATOM 1118 N ASN A 816 -36.191 69.645 0.755 1.00 23.44 N ATOM 1119 CA ASN A 816 -35.829 70.983 1.208 1.00 13.10 C ATOM 1120 C ASN A 816 -36.694 72.040 0.527 1.00 34.45 C ATOM 1121 O ASN A 816 -37.385 72.812 1.191 1.00 55.01 O ATOM 1122 CB ASN A 816 -34.351 71.258 0.924 1.00 12.25 C ATOM 1123 CG ASN A 816 -33.698 72.086 2.014 1.00 24.34 C ATOM 1124 OD1 ASN A 816 -34.379 72.716 2.823 1.00 23.25 O ATOM 1125 ND2 ASN A 816 -32.370 72.087 2.040 1.00 41.52 N ATOM 0 H ASN A 816 -35.435 69.136 0.296 1.00 23.44 H new ATOM 0 HA ASN A 816 -36.001 71.035 2.283 1.00 13.10 H new ATOM 0 HB2 ASN A 816 -33.821 70.311 0.824 1.00 12.25 H new ATOM 0 HB3 ASN A 816 -34.257 71.778 -0.029 1.00 12.25 H new ATOM 0 HD21 ASN A 816 -31.874 72.625 2.751 1.00 41.52 H new ATOM 0 HD22 ASN A 816 -31.846 71.550 1.349 1.00 41.52 H new ATOM 1132 N ALA A 817 -36.651 72.066 -0.801 1.00 10.24 N ATOM 1133 CA ALA A 817 -37.432 73.025 -1.571 1.00 55.33 C ATOM 1134 C ALA A 817 -38.893 73.023 -1.132 1.00 3.12 C ATOM 1135 O ALA A 817 -39.509 74.079 -0.982 1.00 21.21 O ATOM 1136 CB ALA A 817 -37.326 72.719 -3.058 1.00 13.31 C ATOM 0 H ALA A 817 -36.084 71.434 -1.366 1.00 10.24 H new ATOM 0 HA ALA A 817 -37.025 74.019 -1.385 1.00 55.33 H new ATOM 0 HB1 ALA A 817 -37.914 73.443 -3.621 1.00 13.31 H new ATOM 0 HB2 ALA A 817 -36.283 72.779 -3.368 1.00 13.31 H new ATOM 0 HB3 ALA A 817 -37.705 71.715 -3.251 1.00 13.31 H new ATOM 1142 N THR A 818 -39.443 71.830 -0.927 1.00 4.21 N ATOM 1143 CA THR A 818 -40.831 71.691 -0.507 1.00 30.45 C ATOM 1144 C THR A 818 -41.057 72.321 0.863 1.00 62.11 C ATOM 1145 O THR A 818 -42.070 72.981 1.094 1.00 64.35 O ATOM 1146 CB THR A 818 -41.256 70.211 -0.454 1.00 52.05 C ATOM 1147 OG1 THR A 818 -41.254 69.654 -1.774 1.00 24.24 O ATOM 1148 CG2 THR A 818 -42.641 70.067 0.160 1.00 45.14 C ATOM 0 H THR A 818 -38.948 70.946 -1.045 1.00 4.21 H new ATOM 0 HA THR A 818 -41.439 72.211 -1.248 1.00 30.45 H new ATOM 0 HB THR A 818 -40.542 69.673 0.169 1.00 52.05 H new ATOM 0 HG1 THR A 818 -40.345 69.374 -2.010 1.00 24.24 H new ATOM 0 HG21 THR A 818 -42.919 69.013 0.187 1.00 45.14 H new ATOM 0 HG22 THR A 818 -42.633 70.466 1.174 1.00 45.14 H new ATOM 0 HG23 THR A 818 -43.364 70.618 -0.441 1.00 45.14 H new ATOM 1156 N ALA A 819 -40.106 72.114 1.768 1.00 34.25 N ATOM 1157 CA ALA A 819 -40.201 72.665 3.115 1.00 61.53 C ATOM 1158 C ALA A 819 -40.162 74.189 3.088 1.00 33.33 C ATOM 1159 O ALA A 819 -40.880 74.850 3.839 1.00 54.12 O ATOM 1160 CB ALA A 819 -39.079 72.121 3.987 1.00 0.32 C ATOM 0 H ALA A 819 -39.262 71.569 1.593 1.00 34.25 H new ATOM 0 HA ALA A 819 -41.157 72.360 3.540 1.00 61.53 H new ATOM 0 HB1 ALA A 819 -39.162 72.540 4.990 1.00 0.32 H new ATOM 0 HB2 ALA A 819 -39.154 71.035 4.041 1.00 0.32 H new ATOM 0 HB3 ALA A 819 -38.117 72.398 3.556 1.00 0.32 H new ATOM 1166 N ILE A 820 -39.320 74.740 2.221 1.00 61.41 N ATOM 1167 CA ILE A 820 -39.189 76.186 2.097 1.00 2.04 C ATOM 1168 C ILE A 820 -40.449 76.803 1.501 1.00 13.43 C ATOM 1169 O ILE A 820 -40.847 77.907 1.872 1.00 12.21 O ATOM 1170 CB ILE A 820 -37.980 76.569 1.223 1.00 12.22 C ATOM 1171 CG1 ILE A 820 -36.692 75.995 1.816 1.00 2.32 C ATOM 1172 CG2 ILE A 820 -37.881 78.081 1.090 1.00 1.52 C ATOM 1173 CD1 ILE A 820 -36.447 76.414 3.249 1.00 12.01 C ATOM 0 H ILE A 820 -38.718 74.207 1.594 1.00 61.41 H new ATOM 0 HA ILE A 820 -39.037 76.576 3.103 1.00 2.04 H new ATOM 0 HB ILE A 820 -38.120 76.145 0.229 1.00 12.22 H new ATOM 0 HG12 ILE A 820 -36.732 74.907 1.766 1.00 2.32 H new ATOM 0 HG13 ILE A 820 -35.847 76.311 1.204 1.00 2.32 H new ATOM 0 HG21 ILE A 820 -37.022 78.336 0.470 1.00 1.52 H new ATOM 0 HG22 ILE A 820 -38.790 78.466 0.627 1.00 1.52 H new ATOM 0 HG23 ILE A 820 -37.760 78.526 2.078 1.00 1.52 H new ATOM 0 HD11 ILE A 820 -35.517 75.970 3.604 1.00 12.01 H new ATOM 0 HD12 ILE A 820 -36.375 77.500 3.303 1.00 12.01 H new ATOM 0 HD13 ILE A 820 -37.273 76.074 3.874 1.00 12.01 H new ATOM 1185 N ALA A 821 -41.074 76.082 0.576 1.00 13.14 N ATOM 1186 CA ALA A 821 -42.292 76.557 -0.069 1.00 32.04 C ATOM 1187 C ALA A 821 -43.503 76.371 0.840 1.00 42.11 C ATOM 1188 O ALA A 821 -44.479 77.117 0.751 1.00 24.51 O ATOM 1189 CB ALA A 821 -42.506 75.834 -1.390 1.00 42.12 C ATOM 0 H ALA A 821 -40.757 75.167 0.256 1.00 13.14 H new ATOM 0 HA ALA A 821 -42.178 77.623 -0.265 1.00 32.04 H new ATOM 0 HB1 ALA A 821 -43.419 76.199 -1.861 1.00 42.12 H new ATOM 0 HB2 ALA A 821 -41.658 76.022 -2.049 1.00 42.12 H new ATOM 0 HB3 ALA A 821 -42.594 74.763 -1.208 1.00 42.12 H new ATOM 1195 N VAL A 822 -43.434 75.372 1.713 1.00 25.54 N ATOM 1196 CA VAL A 822 -44.524 75.088 2.639 1.00 60.12 C ATOM 1197 C VAL A 822 -44.397 75.921 3.909 1.00 31.34 C ATOM 1198 O VAL A 822 -45.389 76.198 4.583 1.00 4.34 O ATOM 1199 CB VAL A 822 -44.565 73.596 3.018 1.00 65.30 C ATOM 1200 CG1 VAL A 822 -45.600 73.348 4.104 1.00 14.51 C ATOM 1201 CG2 VAL A 822 -44.852 72.742 1.792 1.00 43.42 C ATOM 0 H VAL A 822 -42.634 74.745 1.799 1.00 25.54 H new ATOM 0 HA VAL A 822 -45.450 75.350 2.127 1.00 60.12 H new ATOM 0 HB VAL A 822 -43.588 73.313 3.410 1.00 65.30 H new ATOM 0 HG11 VAL A 822 -45.614 72.288 4.358 1.00 14.51 H new ATOM 0 HG12 VAL A 822 -45.345 73.930 4.990 1.00 14.51 H new ATOM 0 HG13 VAL A 822 -46.584 73.648 3.744 1.00 14.51 H new ATOM 0 HG21 VAL A 822 -44.877 71.691 2.079 1.00 43.42 H new ATOM 0 HG22 VAL A 822 -45.815 73.026 1.368 1.00 43.42 H new ATOM 0 HG23 VAL A 822 -44.069 72.897 1.049 1.00 43.42 H new ATOM 1211 N ALA A 823 -43.170 76.317 4.231 1.00 62.15 N ATOM 1212 CA ALA A 823 -42.913 77.121 5.419 1.00 30.52 C ATOM 1213 C ALA A 823 -43.563 78.495 5.303 1.00 3.23 C ATOM 1214 O ALA A 823 -43.854 79.140 6.310 1.00 53.12 O ATOM 1215 CB ALA A 823 -41.415 77.260 5.648 1.00 14.05 C ATOM 0 H ALA A 823 -42.338 76.094 3.685 1.00 62.15 H new ATOM 0 HA ALA A 823 -43.354 76.611 6.275 1.00 30.52 H new ATOM 0 HB1 ALA A 823 -41.237 77.863 6.539 1.00 14.05 H new ATOM 0 HB2 ALA A 823 -40.975 76.272 5.785 1.00 14.05 H new ATOM 0 HB3 ALA A 823 -40.958 77.744 4.785 1.00 14.05 H new ATOM 1243 N THR A 826 -48.682 78.190 6.804 1.00 75.41 N ATOM 1244 CA THR A 826 -48.996 77.271 7.891 1.00 74.23 C ATOM 1245 C THR A 826 -50.199 76.400 7.545 1.00 43.04 C ATOM 1246 O THR A 826 -50.427 75.363 8.169 1.00 45.45 O ATOM 1247 CB THR A 826 -49.285 78.028 9.201 1.00 54.04 C ATOM 1248 OG1 THR A 826 -48.310 79.058 9.397 1.00 61.23 O ATOM 1249 CG2 THR A 826 -49.273 77.078 10.389 1.00 52.12 C ATOM 0 HA THR A 826 -48.120 76.637 8.032 1.00 74.23 H new ATOM 0 HB THR A 826 -50.276 78.476 9.125 1.00 54.04 H new ATOM 0 HG1 THR A 826 -48.074 79.454 8.532 1.00 61.23 H new ATOM 0 HG21 THR A 826 -49.479 77.635 11.303 1.00 52.12 H new ATOM 0 HG22 THR A 826 -50.037 76.313 10.250 1.00 52.12 H new ATOM 0 HG23 THR A 826 -48.294 76.604 10.466 1.00 52.12 H new ATOM 1257 N ASP A 827 -50.964 76.827 6.547 1.00 75.25 N ATOM 1258 CA ASP A 827 -52.143 76.084 6.116 1.00 54.20 C ATOM 1259 C ASP A 827 -51.795 74.625 5.838 1.00 51.44 C ATOM 1260 O ASP A 827 -52.510 73.715 6.258 1.00 41.24 O ATOM 1261 CB ASP A 827 -52.747 76.725 4.865 1.00 33.13 C ATOM 1262 CG ASP A 827 -53.695 75.792 4.137 1.00 14.44 C ATOM 1263 OD1 ASP A 827 -54.897 75.781 4.479 1.00 4.45 O ATOM 1264 OD2 ASP A 827 -53.236 75.074 3.225 1.00 54.20 O ATOM 0 H ASP A 827 -50.789 77.683 6.021 1.00 75.25 H new ATOM 0 HA ASP A 827 -52.877 76.116 6.922 1.00 54.20 H new ATOM 0 HB2 ASP A 827 -53.280 77.633 5.147 1.00 33.13 H new ATOM 0 HB3 ASP A 827 -51.945 77.023 4.190 1.00 33.13 H new ATOM 1269 N ARG A 828 -50.693 74.411 5.126 1.00 32.22 N ATOM 1270 CA ARG A 828 -50.252 73.063 4.790 1.00 65.33 C ATOM 1271 C ARG A 828 -50.095 72.212 6.047 1.00 43.32 C ATOM 1272 O ARG A 828 -50.673 71.131 6.154 1.00 71.12 O ATOM 1273 CB ARG A 828 -48.927 73.113 4.026 1.00 22.23 C ATOM 1274 CG ARG A 828 -48.643 71.859 3.216 1.00 71.23 C ATOM 1275 CD ARG A 828 -49.503 71.799 1.963 1.00 33.42 C ATOM 1276 NE ARG A 828 -49.310 72.967 1.109 1.00 5.54 N ATOM 1277 CZ ARG A 828 -50.132 73.300 0.121 1.00 14.21 C ATOM 1278 NH1 ARG A 828 -51.200 72.557 -0.136 1.00 65.42 N ATOM 1279 NH2 ARG A 828 -49.889 74.379 -0.612 1.00 2.11 N ATOM 0 H ARG A 828 -50.090 75.153 4.771 1.00 32.22 H new ATOM 0 HA ARG A 828 -51.012 72.607 4.156 1.00 65.33 H new ATOM 0 HB2 ARG A 828 -48.936 73.973 3.357 1.00 22.23 H new ATOM 0 HB3 ARG A 828 -48.114 73.269 4.735 1.00 22.23 H new ATOM 0 HG2 ARG A 828 -47.590 71.835 2.937 1.00 71.23 H new ATOM 0 HG3 ARG A 828 -48.830 70.978 3.830 1.00 71.23 H new ATOM 0 HD2 ARG A 828 -49.263 70.896 1.402 1.00 33.42 H new ATOM 0 HD3 ARG A 828 -50.553 71.728 2.247 1.00 33.42 H new ATOM 0 HE ARG A 828 -48.498 73.560 1.281 1.00 5.54 H new ATOM 0 HH11 ARG A 828 -51.391 71.728 0.426 1.00 65.42 H new ATOM 0 HH12 ARG A 828 -51.830 72.815 -0.896 1.00 65.42 H new ATOM 0 HH21 ARG A 828 -49.070 74.954 -0.417 1.00 2.11 H new ATOM 0 HH22 ARG A 828 -50.522 74.633 -1.371 1.00 2.11 H new ATOM 1293 N VAL A 829 -49.308 72.708 6.996 1.00 3.54 N ATOM 1294 CA VAL A 829 -49.075 71.995 8.246 1.00 1.14 C ATOM 1295 C VAL A 829 -50.388 71.693 8.959 1.00 20.35 C ATOM 1296 O VAL A 829 -50.576 70.602 9.500 1.00 43.14 O ATOM 1297 CB VAL A 829 -48.164 72.801 9.191 1.00 10.14 C ATOM 1298 CG1 VAL A 829 -47.950 72.050 10.497 1.00 53.03 C ATOM 1299 CG2 VAL A 829 -46.834 73.105 8.518 1.00 54.41 C ATOM 0 H VAL A 829 -48.821 73.601 6.923 1.00 3.54 H new ATOM 0 HA VAL A 829 -48.581 71.058 7.989 1.00 1.14 H new ATOM 0 HB VAL A 829 -48.654 73.747 9.420 1.00 10.14 H new ATOM 0 HG11 VAL A 829 -47.304 72.635 11.152 1.00 53.03 H new ATOM 0 HG12 VAL A 829 -48.911 71.889 10.986 1.00 53.03 H new ATOM 0 HG13 VAL A 829 -47.482 71.088 10.291 1.00 53.03 H new ATOM 0 HG21 VAL A 829 -46.203 73.675 9.200 1.00 54.41 H new ATOM 0 HG22 VAL A 829 -46.336 72.171 8.258 1.00 54.41 H new ATOM 0 HG23 VAL A 829 -47.009 73.687 7.613 1.00 54.41 H new ATOM 1309 N ILE A 830 -51.294 72.665 8.957 1.00 62.23 N ATOM 1310 CA ILE A 830 -52.590 72.502 9.602 1.00 35.21 C ATOM 1311 C ILE A 830 -53.411 71.412 8.920 1.00 1.21 C ATOM 1312 O ILE A 830 -53.919 70.503 9.575 1.00 14.44 O ATOM 1313 CB ILE A 830 -53.394 73.816 9.592 1.00 63.14 C ATOM 1314 CG1 ILE A 830 -52.618 74.919 10.314 1.00 2.12 C ATOM 1315 CG2 ILE A 830 -54.756 73.609 10.237 1.00 41.12 C ATOM 1316 CD1 ILE A 830 -53.043 76.316 9.918 1.00 33.44 C ATOM 0 H ILE A 830 -51.154 73.574 8.516 1.00 62.23 H new ATOM 0 HA ILE A 830 -52.394 72.214 10.635 1.00 35.21 H new ATOM 0 HB ILE A 830 -53.547 74.123 8.558 1.00 63.14 H new ATOM 0 HG12 ILE A 830 -52.749 74.799 11.390 1.00 2.12 H new ATOM 0 HG13 ILE A 830 -51.555 74.799 10.107 1.00 2.12 H new ATOM 0 HG21 ILE A 830 -55.312 74.547 10.222 1.00 41.12 H new ATOM 0 HG22 ILE A 830 -55.309 72.850 9.683 1.00 41.12 H new ATOM 0 HG23 ILE A 830 -54.624 73.282 11.268 1.00 41.12 H new ATOM 0 HD11 ILE A 830 -52.451 77.046 10.469 1.00 33.44 H new ATOM 0 HD12 ILE A 830 -52.886 76.455 8.848 1.00 33.44 H new ATOM 0 HD13 ILE A 830 -54.099 76.455 10.151 1.00 33.44 H new ATOM 1328 N GLU A 831 -53.533 71.510 7.600 1.00 14.00 N ATOM 1329 CA GLU A 831 -54.291 70.531 6.829 1.00 14.43 C ATOM 1330 C GLU A 831 -53.726 69.128 7.026 1.00 64.15 C ATOM 1331 O GLU A 831 -54.471 68.152 7.111 1.00 13.15 O ATOM 1332 CB GLU A 831 -54.276 70.896 5.343 1.00 5.44 C ATOM 1333 CG GLU A 831 -54.862 69.820 4.446 1.00 63.31 C ATOM 1334 CD GLU A 831 -55.298 70.358 3.097 1.00 44.10 C ATOM 1335 OE1 GLU A 831 -56.518 70.369 2.829 1.00 25.13 O ATOM 1336 OE2 GLU A 831 -54.420 70.768 2.309 1.00 2.24 O ATOM 0 H GLU A 831 -53.117 72.256 7.043 1.00 14.00 H new ATOM 0 HA GLU A 831 -55.320 70.543 7.187 1.00 14.43 H new ATOM 0 HB2 GLU A 831 -54.835 71.821 5.199 1.00 5.44 H new ATOM 0 HB3 GLU A 831 -53.249 71.093 5.036 1.00 5.44 H new ATOM 0 HG2 GLU A 831 -54.122 69.034 4.297 1.00 63.31 H new ATOM 0 HG3 GLU A 831 -55.717 69.363 4.944 1.00 63.31 H new ATOM 1343 N VAL A 832 -52.401 69.034 7.095 1.00 14.41 N ATOM 1344 CA VAL A 832 -51.734 67.751 7.282 1.00 53.44 C ATOM 1345 C VAL A 832 -51.933 67.230 8.700 1.00 4.14 C ATOM 1346 O VAL A 832 -52.511 66.162 8.906 1.00 3.01 O ATOM 1347 CB VAL A 832 -50.225 67.856 6.991 1.00 73.11 C ATOM 1348 CG1 VAL A 832 -49.546 66.512 7.206 1.00 4.32 C ATOM 1349 CG2 VAL A 832 -49.990 68.361 5.576 1.00 45.34 C ATOM 0 H VAL A 832 -51.769 69.831 7.024 1.00 14.41 H new ATOM 0 HA VAL A 832 -52.185 67.053 6.576 1.00 53.44 H new ATOM 0 HB VAL A 832 -49.787 68.573 7.685 1.00 73.11 H new ATOM 0 HG11 VAL A 832 -48.480 66.605 6.996 1.00 4.32 H new ATOM 0 HG12 VAL A 832 -49.686 66.195 8.239 1.00 4.32 H new ATOM 0 HG13 VAL A 832 -49.985 65.772 6.537 1.00 4.32 H new ATOM 0 HG21 VAL A 832 -48.919 68.429 5.387 1.00 45.34 H new ATOM 0 HG22 VAL A 832 -50.441 67.670 4.864 1.00 45.34 H new ATOM 0 HG23 VAL A 832 -50.442 69.346 5.462 1.00 45.34 H new ATOM 1359 N LEU A 833 -51.450 67.990 9.677 1.00 41.51 N ATOM 1360 CA LEU A 833 -51.574 67.606 11.079 1.00 53.04 C ATOM 1361 C LEU A 833 -53.021 67.268 11.424 1.00 20.41 C ATOM 1362 O LEU A 833 -53.292 66.269 12.090 1.00 71.21 O ATOM 1363 CB LEU A 833 -51.072 68.733 11.983 1.00 30.53 C ATOM 1364 CG LEU A 833 -50.638 68.320 13.391 1.00 53.45 C ATOM 1365 CD1 LEU A 833 -49.524 67.288 13.325 1.00 62.24 C ATOM 1366 CD2 LEU A 833 -50.194 69.537 14.189 1.00 32.05 C ATOM 0 H LEU A 833 -50.969 68.876 9.524 1.00 41.51 H new ATOM 0 HA LEU A 833 -50.963 66.718 11.243 1.00 53.04 H new ATOM 0 HB2 LEU A 833 -50.228 69.218 11.492 1.00 30.53 H new ATOM 0 HB3 LEU A 833 -51.861 69.480 12.072 1.00 30.53 H new ATOM 0 HG LEU A 833 -51.492 67.870 13.897 1.00 53.45 H new ATOM 0 HD11 LEU A 833 -49.229 67.006 14.336 1.00 62.24 H new ATOM 0 HD12 LEU A 833 -49.877 66.406 12.791 1.00 62.24 H new ATOM 0 HD13 LEU A 833 -48.667 67.711 12.801 1.00 62.24 H new ATOM 0 HD21 LEU A 833 -49.889 69.225 15.188 1.00 32.05 H new ATOM 0 HD22 LEU A 833 -49.354 70.016 13.686 1.00 32.05 H new ATOM 0 HD23 LEU A 833 -51.021 70.243 14.266 1.00 32.05 H new ATOM 1378 N GLN A 834 -53.945 68.105 10.965 1.00 11.42 N ATOM 1379 CA GLN A 834 -55.364 67.894 11.225 1.00 71.51 C ATOM 1380 C GLN A 834 -55.854 66.611 10.560 1.00 25.05 C ATOM 1381 O GLN A 834 -56.420 65.738 11.217 1.00 72.33 O ATOM 1382 CB GLN A 834 -56.180 69.086 10.722 1.00 21.21 C ATOM 1383 CG GLN A 834 -57.681 68.851 10.749 1.00 35.54 C ATOM 1384 CD GLN A 834 -58.212 68.631 12.152 1.00 33.23 C ATOM 1385 OE1 GLN A 834 -57.768 67.728 12.862 1.00 2.45 O ATOM 1386 NE2 GLN A 834 -59.169 69.457 12.560 1.00 43.02 N ATOM 0 H GLN A 834 -53.737 68.936 10.411 1.00 11.42 H new ATOM 0 HA GLN A 834 -55.500 67.799 12.302 1.00 71.51 H new ATOM 0 HB2 GLN A 834 -55.946 69.959 11.332 1.00 21.21 H new ATOM 0 HB3 GLN A 834 -55.876 69.319 9.702 1.00 21.21 H new ATOM 0 HG2 GLN A 834 -58.187 69.707 10.303 1.00 35.54 H new ATOM 0 HG3 GLN A 834 -57.920 67.984 10.134 1.00 35.54 H new ATOM 0 HE21 GLN A 834 -59.508 70.192 11.939 1.00 43.02 H new ATOM 0 HE22 GLN A 834 -59.565 69.357 13.495 1.00 43.02 H new ATOM 1395 N ALA A 835 -55.631 66.505 9.255 1.00 71.15 N ATOM 1396 CA ALA A 835 -56.048 65.328 8.502 1.00 40.43 C ATOM 1397 C ALA A 835 -55.496 64.052 9.127 1.00 2.14 C ATOM 1398 O ALA A 835 -56.247 63.134 9.452 1.00 35.45 O ATOM 1399 CB ALA A 835 -55.601 65.444 7.052 1.00 60.11 C ATOM 0 H ALA A 835 -55.164 67.220 8.697 1.00 71.15 H new ATOM 0 HA ALA A 835 -57.136 65.274 8.533 1.00 40.43 H new ATOM 0 HB1 ALA A 835 -55.919 64.559 6.501 1.00 60.11 H new ATOM 0 HB2 ALA A 835 -56.049 66.331 6.603 1.00 60.11 H new ATOM 0 HB3 ALA A 835 -54.515 65.526 7.012 1.00 60.11 H new ATOM 1405 N ALA A 836 -54.178 64.002 9.293 1.00 71.23 N ATOM 1406 CA ALA A 836 -53.526 62.838 9.881 1.00 41.43 C ATOM 1407 C ALA A 836 -54.142 62.488 11.231 1.00 60.42 C ATOM 1408 O ALA A 836 -54.664 61.388 11.419 1.00 11.51 O ATOM 1409 CB ALA A 836 -52.033 63.089 10.029 1.00 4.30 C ATOM 0 H ALA A 836 -53.541 64.754 9.029 1.00 71.23 H new ATOM 0 HA ALA A 836 -53.676 61.991 9.212 1.00 41.43 H new ATOM 0 HB1 ALA A 836 -51.558 62.212 10.469 1.00 4.30 H new ATOM 0 HB2 ALA A 836 -51.598 63.283 9.049 1.00 4.30 H new ATOM 0 HB3 ALA A 836 -51.871 63.952 10.675 1.00 4.30 H new ATOM 1415 N TYR A 837 -54.077 63.427 12.167 1.00 11.33 N ATOM 1416 CA TYR A 837 -54.626 63.216 13.502 1.00 60.15 C ATOM 1417 C TYR A 837 -56.091 62.795 13.428 1.00 43.53 C ATOM 1418 O TYR A 837 -56.571 62.029 14.263 1.00 61.22 O ATOM 1419 CB TYR A 837 -54.491 64.489 14.339 1.00 23.41 C ATOM 1420 CG TYR A 837 -54.869 64.301 15.791 1.00 51.21 C ATOM 1421 CD1 TYR A 837 -55.591 65.274 16.472 1.00 23.21 C ATOM 1422 CD2 TYR A 837 -54.504 63.152 16.482 1.00 53.32 C ATOM 1423 CE1 TYR A 837 -55.938 65.107 17.799 1.00 51.42 C ATOM 1424 CE2 TYR A 837 -54.849 62.977 17.808 1.00 64.30 C ATOM 1425 CZ TYR A 837 -55.565 63.957 18.462 1.00 32.02 C ATOM 1426 OH TYR A 837 -55.909 63.786 19.784 1.00 41.43 O ATOM 0 H TYR A 837 -53.650 64.342 12.027 1.00 11.33 H new ATOM 0 HA TYR A 837 -54.060 62.415 13.978 1.00 60.15 H new ATOM 0 HB2 TYR A 837 -53.462 64.843 14.283 1.00 23.41 H new ATOM 0 HB3 TYR A 837 -55.120 65.267 13.906 1.00 23.41 H new ATOM 0 HD1 TYR A 837 -55.886 66.176 15.955 1.00 23.21 H new ATOM 0 HD2 TYR A 837 -53.941 62.383 15.974 1.00 53.32 H new ATOM 0 HE1 TYR A 837 -56.498 65.873 18.314 1.00 51.42 H new ATOM 0 HE2 TYR A 837 -54.559 62.077 18.330 1.00 64.30 H new ATOM 0 HH TYR A 837 -55.571 62.922 20.101 1.00 41.43 H new ATOM 1436 N ARG A 838 -56.795 63.303 12.421 1.00 31.05 N ATOM 1437 CA ARG A 838 -58.205 62.982 12.237 1.00 32.44 C ATOM 1438 C ARG A 838 -58.391 61.494 11.952 1.00 11.14 C ATOM 1439 O ARG A 838 -59.180 60.819 12.614 1.00 45.15 O ATOM 1440 CB ARG A 838 -58.794 63.809 11.093 1.00 65.52 C ATOM 1441 CG ARG A 838 -59.662 64.965 11.561 1.00 44.24 C ATOM 1442 CD ARG A 838 -61.025 64.484 12.030 1.00 35.31 C ATOM 1443 NE ARG A 838 -61.022 64.127 13.446 1.00 32.32 N ATOM 1444 CZ ARG A 838 -60.920 65.016 14.428 1.00 75.20 C ATOM 1445 NH1 ARG A 838 -60.815 66.308 14.149 1.00 64.53 N ATOM 1446 NH2 ARG A 838 -60.925 64.613 15.692 1.00 0.23 N ATOM 0 H ARG A 838 -56.412 63.938 11.721 1.00 31.05 H new ATOM 0 HA ARG A 838 -58.731 63.226 13.160 1.00 32.44 H new ATOM 0 HB2 ARG A 838 -57.980 64.201 10.483 1.00 65.52 H new ATOM 0 HB3 ARG A 838 -59.387 63.157 10.452 1.00 65.52 H new ATOM 0 HG2 ARG A 838 -59.161 65.491 12.374 1.00 44.24 H new ATOM 0 HG3 ARG A 838 -59.787 65.680 10.748 1.00 44.24 H new ATOM 0 HD2 ARG A 838 -61.765 65.265 11.855 1.00 35.31 H new ATOM 0 HD3 ARG A 838 -61.327 63.620 11.439 1.00 35.31 H new ATOM 0 HE ARG A 838 -61.103 63.141 13.695 1.00 32.32 H new ATOM 0 HH11 ARG A 838 -60.812 66.622 13.178 1.00 64.53 H new ATOM 0 HH12 ARG A 838 -60.737 66.988 14.905 1.00 64.53 H new ATOM 0 HH21 ARG A 838 -61.007 63.620 15.910 1.00 0.23 H new ATOM 0 HH22 ARG A 838 -60.847 65.296 16.445 1.00 0.23 H new ATOM 1460 N ALA A 839 -57.660 60.991 10.963 1.00 22.55 N ATOM 1461 CA ALA A 839 -57.743 59.583 10.592 1.00 41.50 C ATOM 1462 C ALA A 839 -57.257 58.687 11.726 1.00 61.24 C ATOM 1463 O ALA A 839 -57.767 57.583 11.918 1.00 34.15 O ATOM 1464 CB ALA A 839 -56.937 59.323 9.328 1.00 71.01 C ATOM 0 H ALA A 839 -57.004 61.537 10.404 1.00 22.55 H new ATOM 0 HA ALA A 839 -58.789 59.344 10.399 1.00 41.50 H new ATOM 0 HB1 ALA A 839 -57.007 58.268 9.062 1.00 71.01 H new ATOM 0 HB2 ALA A 839 -57.332 59.930 8.513 1.00 71.01 H new ATOM 0 HB3 ALA A 839 -55.893 59.584 9.502 1.00 71.01 H new ATOM 1470 N ILE A 840 -56.268 59.168 12.472 1.00 72.44 N ATOM 1471 CA ILE A 840 -55.714 58.409 13.586 1.00 32.21 C ATOM 1472 C ILE A 840 -56.677 58.386 14.768 1.00 35.40 C ATOM 1473 O ILE A 840 -56.790 57.381 15.470 1.00 32.24 O ATOM 1474 CB ILE A 840 -54.366 58.991 14.049 1.00 43.33 C ATOM 1475 CG1 ILE A 840 -53.333 58.901 12.923 1.00 32.32 C ATOM 1476 CG2 ILE A 840 -53.871 58.262 15.289 1.00 60.44 C ATOM 1477 CD1 ILE A 840 -52.981 57.481 12.539 1.00 72.30 C ATOM 0 H ILE A 840 -55.834 60.079 12.325 1.00 72.44 H new ATOM 0 HA ILE A 840 -55.557 57.392 13.227 1.00 32.21 H new ATOM 0 HB ILE A 840 -54.509 60.041 14.303 1.00 43.33 H new ATOM 0 HG12 ILE A 840 -53.717 59.422 12.046 1.00 32.32 H new ATOM 0 HG13 ILE A 840 -52.426 59.421 13.230 1.00 32.32 H new ATOM 0 HG21 ILE A 840 -52.917 58.685 15.603 1.00 60.44 H new ATOM 0 HG22 ILE A 840 -54.600 58.373 16.092 1.00 60.44 H new ATOM 0 HG23 ILE A 840 -53.741 57.204 15.061 1.00 60.44 H new ATOM 0 HD11 ILE A 840 -52.244 57.493 11.736 1.00 72.30 H new ATOM 0 HD12 ILE A 840 -52.567 56.962 13.404 1.00 72.30 H new ATOM 0 HD13 ILE A 840 -53.878 56.963 12.200 1.00 72.30 H new ATOM 1489 N ARG A 841 -57.372 59.499 14.981 1.00 65.14 N ATOM 1490 CA ARG A 841 -58.326 59.606 16.077 1.00 12.32 C ATOM 1491 C ARG A 841 -59.546 58.725 15.825 1.00 61.14 C ATOM 1492 O ARG A 841 -59.975 57.974 16.701 1.00 23.13 O ATOM 1493 CB ARG A 841 -58.764 61.061 16.260 1.00 62.20 C ATOM 1494 CG ARG A 841 -57.956 61.813 17.305 1.00 51.12 C ATOM 1495 CD ARG A 841 -58.825 62.787 18.085 1.00 2.32 C ATOM 1496 NE ARG A 841 -59.919 62.112 18.777 1.00 74.32 N ATOM 1497 CZ ARG A 841 -59.774 61.466 19.929 1.00 42.25 C ATOM 1498 NH1 ARG A 841 -58.586 61.409 20.515 1.00 40.41 N ATOM 1499 NH2 ARG A 841 -60.818 60.876 20.496 1.00 2.14 N ATOM 0 H ARG A 841 -57.292 60.339 14.408 1.00 65.14 H new ATOM 0 HA ARG A 841 -57.834 59.264 16.988 1.00 12.32 H new ATOM 0 HB2 ARG A 841 -58.680 61.580 15.305 1.00 62.20 H new ATOM 0 HB3 ARG A 841 -59.817 61.082 16.542 1.00 62.20 H new ATOM 0 HG2 ARG A 841 -57.497 61.102 17.992 1.00 51.12 H new ATOM 0 HG3 ARG A 841 -57.145 62.356 16.819 1.00 51.12 H new ATOM 0 HD2 ARG A 841 -58.211 63.319 18.811 1.00 2.32 H new ATOM 0 HD3 ARG A 841 -59.233 63.534 17.404 1.00 2.32 H new ATOM 0 HE ARG A 841 -60.846 62.138 18.353 1.00 74.32 H new ATOM 0 HH11 ARG A 841 -57.781 61.862 20.081 1.00 40.41 H new ATOM 0 HH12 ARG A 841 -58.477 60.913 21.399 1.00 40.41 H new ATOM 0 HH21 ARG A 841 -61.733 60.918 20.048 1.00 2.14 H new ATOM 0 HH22 ARG A 841 -60.706 60.380 21.380 1.00 2.14 H new ATOM 1513 N HIS A 842 -60.101 58.822 14.620 1.00 3.15 N ATOM 1514 CA HIS A 842 -61.271 58.034 14.252 1.00 32.42 C ATOM 1515 C HIS A 842 -60.887 56.580 13.991 1.00 11.31 C ATOM 1516 O HIS A 842 -61.680 55.667 14.225 1.00 4.30 O ATOM 1517 CB HIS A 842 -61.942 58.626 13.013 1.00 54.41 C ATOM 1518 CG HIS A 842 -62.474 60.010 13.224 1.00 14.42 C ATOM 1519 ND1 HIS A 842 -62.989 60.443 14.428 1.00 51.30 N ATOM 1520 CD2 HIS A 842 -62.568 61.062 12.377 1.00 60.21 C ATOM 1521 CE1 HIS A 842 -63.378 61.700 14.311 1.00 0.45 C ATOM 1522 NE2 HIS A 842 -63.133 62.100 13.077 1.00 61.45 N ATOM 0 H HIS A 842 -59.759 59.438 13.883 1.00 3.15 H new ATOM 0 HA HIS A 842 -61.974 58.062 15.085 1.00 32.42 H new ATOM 0 HB2 HIS A 842 -61.223 58.643 12.194 1.00 54.41 H new ATOM 0 HB3 HIS A 842 -62.760 57.974 12.706 1.00 54.41 H new ATOM 0 HD2 HIS A 842 -62.257 61.081 11.343 1.00 60.21 H new ATOM 0 HE1 HIS A 842 -63.821 62.299 15.093 1.00 0.45 H new ATOM 0 HE2 HIS A 842 -63.331 63.029 12.704 1.00 61.45 H new ATOM 1630 N ARG A 848 -47.183 49.349 13.270 1.00 23.33 N ATOM 1631 CA ARG A 848 -46.023 48.989 12.463 1.00 11.01 C ATOM 1632 C ARG A 848 -44.883 49.981 12.677 1.00 74.14 C ATOM 1633 O ARG A 848 -43.713 49.642 12.505 1.00 70.44 O ATOM 1634 CB ARG A 848 -46.401 48.941 10.982 1.00 52.54 C ATOM 1635 CG ARG A 848 -47.023 47.622 10.554 1.00 64.04 C ATOM 1636 CD ARG A 848 -46.879 47.398 9.056 1.00 4.05 C ATOM 1637 NE ARG A 848 -45.511 47.045 8.685 1.00 72.41 N ATOM 1638 CZ ARG A 848 -45.125 46.816 7.435 1.00 40.45 C ATOM 1639 NH1 ARG A 848 -45.998 46.905 6.441 1.00 73.21 N ATOM 1640 NH2 ARG A 848 -43.863 46.500 7.176 1.00 24.31 N ATOM 0 HA ARG A 848 -45.685 48.001 12.777 1.00 11.01 H new ATOM 0 HB2 ARG A 848 -47.101 49.749 10.768 1.00 52.54 H new ATOM 0 HB3 ARG A 848 -45.509 49.124 10.382 1.00 52.54 H new ATOM 0 HG2 ARG A 848 -46.548 46.802 11.093 1.00 64.04 H new ATOM 0 HG3 ARG A 848 -48.079 47.612 10.825 1.00 64.04 H new ATOM 0 HD2 ARG A 848 -47.556 46.604 8.741 1.00 4.05 H new ATOM 0 HD3 ARG A 848 -47.177 48.301 8.524 1.00 4.05 H new ATOM 0 HE ARG A 848 -44.814 46.970 9.426 1.00 72.41 H new ATOM 0 HH11 ARG A 848 -46.969 47.150 6.635 1.00 73.21 H new ATOM 0 HH12 ARG A 848 -45.699 46.729 5.482 1.00 73.21 H new ATOM 0 HH21 ARG A 848 -43.188 46.433 7.937 1.00 24.31 H new ATOM 0 HH22 ARG A 848 -43.568 46.324 6.216 1.00 24.31 H new ATOM 1654 N GLN A 849 -45.235 51.207 13.052 1.00 61.45 N ATOM 1655 CA GLN A 849 -44.241 52.247 13.287 1.00 52.41 C ATOM 1656 C GLN A 849 -43.162 51.762 14.249 1.00 64.24 C ATOM 1657 O GLN A 849 -41.973 51.990 14.029 1.00 23.24 O ATOM 1658 CB GLN A 849 -44.911 53.504 13.846 1.00 44.24 C ATOM 1659 CG GLN A 849 -44.107 54.774 13.618 1.00 43.12 C ATOM 1660 CD GLN A 849 -44.160 55.249 12.179 1.00 34.31 C ATOM 1661 OE1 GLN A 849 -45.052 54.868 11.421 1.00 75.25 O ATOM 1662 NE2 GLN A 849 -43.203 56.085 11.795 1.00 14.53 N ATOM 0 H GLN A 849 -46.200 51.504 13.199 1.00 61.45 H new ATOM 0 HA GLN A 849 -43.770 52.487 12.334 1.00 52.41 H new ATOM 0 HB2 GLN A 849 -45.893 53.618 13.386 1.00 44.24 H new ATOM 0 HB3 GLN A 849 -45.074 53.374 14.916 1.00 44.24 H new ATOM 0 HG2 GLN A 849 -44.486 55.561 14.270 1.00 43.12 H new ATOM 0 HG3 GLN A 849 -43.069 54.598 13.900 1.00 43.12 H new ATOM 0 HE21 GLN A 849 -42.483 56.375 12.457 1.00 14.53 H new ATOM 0 HE22 GLN A 849 -43.188 56.438 10.838 1.00 14.53 H new ATOM 1671 N GLY A 850 -43.585 51.091 15.316 1.00 63.33 N ATOM 1672 CA GLY A 850 -42.641 50.584 16.295 1.00 34.03 C ATOM 1673 C GLY A 850 -41.778 49.467 15.745 1.00 63.34 C ATOM 1674 O GLY A 850 -40.554 49.491 15.885 1.00 72.04 O ATOM 0 H GLY A 850 -44.564 50.890 15.520 1.00 63.33 H new ATOM 0 HA2 GLY A 850 -42.002 51.399 16.634 1.00 34.03 H new ATOM 0 HA3 GLY A 850 -43.186 50.222 17.167 1.00 34.03 H new ATOM 1678 N LEU A 851 -42.414 48.483 15.118 1.00 51.42 N ATOM 1679 CA LEU A 851 -41.696 47.350 14.545 1.00 41.10 C ATOM 1680 C LEU A 851 -40.568 47.824 13.634 1.00 1.33 C ATOM 1681 O LEU A 851 -39.441 47.337 13.722 1.00 52.53 O ATOM 1682 CB LEU A 851 -42.658 46.455 13.761 1.00 5.12 C ATOM 1683 CG LEU A 851 -42.076 45.141 13.238 1.00 40.30 C ATOM 1684 CD1 LEU A 851 -41.576 44.283 14.389 1.00 24.04 C ATOM 1685 CD2 LEU A 851 -43.114 44.387 12.420 1.00 41.02 C ATOM 0 H LEU A 851 -43.426 48.447 14.994 1.00 51.42 H new ATOM 0 HA LEU A 851 -41.261 46.776 15.363 1.00 41.10 H new ATOM 0 HB2 LEU A 851 -43.510 46.223 14.400 1.00 5.12 H new ATOM 0 HB3 LEU A 851 -43.041 47.023 12.913 1.00 5.12 H new ATOM 0 HG LEU A 851 -41.230 45.372 12.591 1.00 40.30 H new ATOM 0 HD11 LEU A 851 -41.165 43.352 13.997 1.00 24.04 H new ATOM 0 HD12 LEU A 851 -40.800 44.821 14.934 1.00 24.04 H new ATOM 0 HD13 LEU A 851 -42.403 44.060 15.062 1.00 24.04 H new ATOM 0 HD21 LEU A 851 -42.683 43.455 12.056 1.00 41.02 H new ATOM 0 HD22 LEU A 851 -43.980 44.167 13.045 1.00 41.02 H new ATOM 0 HD23 LEU A 851 -43.424 44.999 11.573 1.00 41.02 H new ATOM 1697 N GLU A 852 -40.879 48.778 12.762 1.00 14.35 N ATOM 1698 CA GLU A 852 -39.891 49.319 11.837 1.00 63.10 C ATOM 1699 C GLU A 852 -38.910 50.235 12.563 1.00 41.32 C ATOM 1700 O GLU A 852 -37.732 50.304 12.212 1.00 61.42 O ATOM 1701 CB GLU A 852 -40.582 50.086 10.708 1.00 71.32 C ATOM 1702 CG GLU A 852 -41.226 51.386 11.160 1.00 31.51 C ATOM 1703 CD GLU A 852 -41.851 52.157 10.014 1.00 74.41 C ATOM 1704 OE1 GLU A 852 -42.267 53.314 10.235 1.00 65.33 O ATOM 1705 OE2 GLU A 852 -41.926 51.604 8.897 1.00 61.42 O ATOM 0 H GLU A 852 -41.807 49.192 12.677 1.00 14.35 H new ATOM 0 HA GLU A 852 -39.335 48.484 11.411 1.00 63.10 H new ATOM 0 HB2 GLU A 852 -39.852 50.304 9.928 1.00 71.32 H new ATOM 0 HB3 GLU A 852 -41.345 49.449 10.261 1.00 71.32 H new ATOM 0 HG2 GLU A 852 -41.990 51.168 11.906 1.00 31.51 H new ATOM 0 HG3 GLU A 852 -40.475 52.009 11.646 1.00 31.51 H new ATOM 1712 N ARG A 853 -39.405 50.938 13.576 1.00 12.30 N ATOM 1713 CA ARG A 853 -38.574 51.852 14.350 1.00 10.14 C ATOM 1714 C ARG A 853 -37.464 51.096 15.075 1.00 35.13 C ATOM 1715 O ARG A 853 -36.367 51.620 15.269 1.00 71.20 O ATOM 1716 CB ARG A 853 -39.428 52.619 15.362 1.00 42.34 C ATOM 1717 CG ARG A 853 -38.622 53.534 16.270 1.00 61.51 C ATOM 1718 CD ARG A 853 -39.493 54.619 16.882 1.00 1.23 C ATOM 1719 NE ARG A 853 -40.117 55.459 15.864 1.00 52.51 N ATOM 1720 CZ ARG A 853 -41.157 56.251 16.101 1.00 53.13 C ATOM 1721 NH1 ARG A 853 -41.687 56.310 17.315 1.00 44.41 N ATOM 1722 NH2 ARG A 853 -41.670 56.986 15.122 1.00 63.12 N ATOM 0 H ARG A 853 -40.378 50.892 13.880 1.00 12.30 H new ATOM 0 HA ARG A 853 -38.117 52.561 13.659 1.00 10.14 H new ATOM 0 HB2 ARG A 853 -40.167 53.214 14.825 1.00 42.34 H new ATOM 0 HB3 ARG A 853 -39.978 51.905 15.975 1.00 42.34 H new ATOM 0 HG2 ARG A 853 -38.160 52.946 17.063 1.00 61.51 H new ATOM 0 HG3 ARG A 853 -37.813 53.993 15.701 1.00 61.51 H new ATOM 0 HD2 ARG A 853 -40.267 54.159 17.496 1.00 1.23 H new ATOM 0 HD3 ARG A 853 -38.888 55.240 17.543 1.00 1.23 H new ATOM 0 HE ARG A 853 -39.734 55.437 14.919 1.00 52.51 H new ATOM 0 HH11 ARG A 853 -41.296 55.746 18.070 1.00 44.41 H new ATOM 0 HH12 ARG A 853 -42.485 56.919 17.494 1.00 44.41 H new ATOM 0 HH21 ARG A 853 -41.266 56.943 14.187 1.00 63.12 H new ATOM 0 HH22 ARG A 853 -42.468 57.594 15.305 1.00 63.12 H new ATOM 1736 N ILE A 854 -37.759 49.863 15.474 1.00 64.02 N ATOM 1737 CA ILE A 854 -36.786 49.035 16.176 1.00 10.34 C ATOM 1738 C ILE A 854 -36.008 48.156 15.204 1.00 44.13 C ATOM 1739 O ILE A 854 -35.346 47.199 15.608 1.00 60.12 O ATOM 1740 CB ILE A 854 -37.465 48.140 17.230 1.00 71.15 C ATOM 1741 CG1 ILE A 854 -38.367 47.108 16.549 1.00 43.25 C ATOM 1742 CG2 ILE A 854 -38.265 48.987 18.208 1.00 31.42 C ATOM 1743 CD1 ILE A 854 -39.049 46.169 17.518 1.00 74.21 C ATOM 0 H ILE A 854 -38.663 49.416 15.323 1.00 64.02 H new ATOM 0 HA ILE A 854 -36.097 49.715 16.677 1.00 10.34 H new ATOM 0 HB ILE A 854 -36.693 47.609 17.787 1.00 71.15 H new ATOM 0 HG12 ILE A 854 -39.126 47.629 15.966 1.00 43.25 H new ATOM 0 HG13 ILE A 854 -37.772 46.524 15.847 1.00 43.25 H new ATOM 0 HG21 ILE A 854 -38.739 48.340 18.946 1.00 31.42 H new ATOM 0 HG22 ILE A 854 -37.599 49.687 18.713 1.00 31.42 H new ATOM 0 HG23 ILE A 854 -39.031 49.542 17.667 1.00 31.42 H new ATOM 0 HD11 ILE A 854 -39.672 45.465 16.966 1.00 74.21 H new ATOM 0 HD12 ILE A 854 -38.296 45.620 18.084 1.00 74.21 H new ATOM 0 HD13 ILE A 854 -39.672 46.743 18.204 1.00 74.21 H new ATOM 1755 N LEU A 855 -36.089 48.488 13.920 1.00 73.30 N ATOM 1756 CA LEU A 855 -35.391 47.729 12.888 1.00 43.41 C ATOM 1757 C LEU A 855 -34.226 48.532 12.316 1.00 15.34 C ATOM 1758 O LEU A 855 -33.089 48.060 12.283 1.00 75.42 O ATOM 1759 CB LEU A 855 -36.358 47.344 11.767 1.00 11.24 C ATOM 1760 CG LEU A 855 -35.732 47.105 10.393 1.00 31.50 C ATOM 1761 CD1 LEU A 855 -34.698 45.992 10.464 1.00 21.23 C ATOM 1762 CD2 LEU A 855 -36.807 46.772 9.368 1.00 23.53 C ATOM 0 H LEU A 855 -36.631 49.278 13.569 1.00 73.30 H new ATOM 0 HA LEU A 855 -34.995 46.822 13.345 1.00 43.41 H new ATOM 0 HB2 LEU A 855 -36.887 46.439 12.066 1.00 11.24 H new ATOM 0 HB3 LEU A 855 -37.105 48.132 11.672 1.00 11.24 H new ATOM 0 HG LEU A 855 -35.230 48.020 10.079 1.00 31.50 H new ATOM 0 HD11 LEU A 855 -34.263 45.836 9.477 1.00 21.23 H new ATOM 0 HD12 LEU A 855 -33.912 46.269 11.167 1.00 21.23 H new ATOM 0 HD13 LEU A 855 -35.176 45.072 10.799 1.00 21.23 H new ATOM 0 HD21 LEU A 855 -36.343 46.605 8.396 1.00 23.53 H new ATOM 0 HD22 LEU A 855 -37.337 45.871 9.677 1.00 23.53 H new ATOM 0 HD23 LEU A 855 -37.511 47.601 9.297 1.00 23.53 H new