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 30:sc= -0.0242 USER MOD Single : A 769 HIS : no HD1:sc= -0.0433 X(o=-0.043,f=-0.19) USER MOD Single : A 779 THR OG1 : rot -68:sc= 1.18 USER MOD Single : A 801 GLN : amide:sc= -0.888 K(o=-0.89,f=-4.7!) 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= -0.745 K(o=-0.74,f=-2.7!) USER MOD Single : A 808 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0306) USER MOD Single : A 809 ASN : amide:sc= -0.0717 X(o=-0.072,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=-0.00169 K(o=-0.0017,f=-3.2!) USER MOD Single : A 818 THR OG1 : rot 75:sc= 1.27 USER MOD Single : A 826 THR OG1 : rot 20:sc= 0.267 USER MOD Single : A 834 GLN : amide:sc= -0.114 K(o=-0.11,f=-1.5) USER MOD Single : A 837 TYR OH : rot 180:sc= 0 USER MOD Single : A 842 HIS : no HD1:sc= -0.549 X(o=-0.55,f=-0.84) USER MOD Single : A 849 GLN : amide:sc= -2.04 K(o=-2,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 261 N TYR A 768 -1.491 21.297 -11.988 1.00 12.04 N ATOM 262 CA TYR A 768 -0.547 21.830 -12.963 1.00 31.23 C ATOM 263 C TYR A 768 -1.271 22.635 -14.038 1.00 24.21 C ATOM 264 O TYR A 768 -1.008 23.824 -14.222 1.00 62.33 O ATOM 265 CB TYR A 768 0.247 20.693 -13.609 1.00 1.34 C ATOM 266 CG TYR A 768 1.244 21.163 -14.644 1.00 2.34 C ATOM 267 CD1 TYR A 768 1.356 20.522 -15.871 1.00 52.11 C ATOM 268 CD2 TYR A 768 2.074 22.249 -14.394 1.00 41.50 C ATOM 269 CE1 TYR A 768 2.266 20.948 -16.819 1.00 71.21 C ATOM 270 CE2 TYR A 768 2.986 22.683 -15.337 1.00 1.02 C ATOM 271 CZ TYR A 768 3.079 22.029 -16.547 1.00 74.34 C ATOM 272 OH TYR A 768 3.986 22.457 -17.490 1.00 35.42 O ATOM 0 HA TYR A 768 0.142 22.494 -12.440 1.00 31.23 H new ATOM 0 HB2 TYR A 768 0.776 20.143 -12.831 1.00 1.34 H new ATOM 0 HB3 TYR A 768 -0.448 19.996 -14.077 1.00 1.34 H new ATOM 0 HD1 TYR A 768 0.721 19.676 -16.088 1.00 52.11 H new ATOM 0 HD2 TYR A 768 2.005 22.763 -13.446 1.00 41.50 H new ATOM 0 HE1 TYR A 768 2.341 20.438 -17.768 1.00 71.21 H new ATOM 0 HE2 TYR A 768 3.622 23.530 -15.127 1.00 1.02 H new ATOM 0 HH TYR A 768 3.642 22.262 -18.387 1.00 35.42 H new ATOM 282 N HIS A 769 -2.184 21.978 -14.745 1.00 73.14 N ATOM 283 CA HIS A 769 -2.948 22.631 -15.802 1.00 51.43 C ATOM 284 C HIS A 769 -3.597 23.914 -15.290 1.00 61.21 C ATOM 285 O HIS A 769 -3.656 24.917 -16.001 1.00 10.54 O ATOM 286 CB HIS A 769 -4.020 21.686 -16.346 1.00 24.34 C ATOM 287 CG HIS A 769 -3.462 20.523 -17.107 1.00 62.11 C ATOM 288 ND1 HIS A 769 -2.191 20.513 -17.641 1.00 44.24 N ATOM 289 CD2 HIS A 769 -4.010 19.326 -17.421 1.00 65.43 C ATOM 290 CE1 HIS A 769 -1.981 19.361 -18.253 1.00 12.02 C ATOM 291 NE2 HIS A 769 -3.070 18.622 -18.133 1.00 45.15 N ATOM 0 H HIS A 769 -2.413 20.994 -14.605 1.00 73.14 H new ATOM 0 HA HIS A 769 -2.260 22.888 -16.607 1.00 51.43 H new ATOM 0 HB2 HIS A 769 -4.619 21.313 -15.515 1.00 24.34 H new ATOM 0 HB3 HIS A 769 -4.691 22.247 -16.996 1.00 24.34 H new ATOM 0 HD2 HIS A 769 -5.002 18.987 -17.160 1.00 65.43 H new ATOM 0 HE1 HIS A 769 -1.074 19.073 -18.764 1.00 12.02 H new ATOM 0 HE2 HIS A 769 -3.193 17.681 -18.508 1.00 45.15 H new ATOM 299 N ARG A 770 -4.083 23.872 -14.054 1.00 2.52 N ATOM 300 CA ARG A 770 -4.729 25.030 -13.448 1.00 11.42 C ATOM 301 C ARG A 770 -3.746 26.189 -13.304 1.00 70.54 C ATOM 302 O ARG A 770 -3.973 27.279 -13.831 1.00 32.31 O ATOM 303 CB ARG A 770 -5.303 24.662 -12.078 1.00 52.25 C ATOM 304 CG ARG A 770 -5.418 25.843 -11.129 1.00 12.23 C ATOM 305 CD ARG A 770 -6.056 25.437 -9.809 1.00 53.15 C ATOM 306 NE ARG A 770 -6.505 26.594 -9.039 1.00 43.13 N ATOM 307 CZ ARG A 770 -7.394 26.522 -8.055 1.00 60.11 C ATOM 308 NH1 ARG A 770 -7.927 25.354 -7.723 1.00 3.22 N ATOM 309 NH2 ARG A 770 -7.752 27.619 -7.401 1.00 4.44 N ATOM 0 H ARG A 770 -4.042 23.049 -13.453 1.00 2.52 H new ATOM 0 HA ARG A 770 -5.542 25.344 -14.103 1.00 11.42 H new ATOM 0 HB2 ARG A 770 -6.289 24.219 -12.214 1.00 52.25 H new ATOM 0 HB3 ARG A 770 -4.671 23.900 -11.621 1.00 52.25 H new ATOM 0 HG2 ARG A 770 -4.428 26.259 -10.943 1.00 12.23 H new ATOM 0 HG3 ARG A 770 -6.012 26.629 -11.595 1.00 12.23 H new ATOM 0 HD2 ARG A 770 -6.904 24.780 -10.003 1.00 53.15 H new ATOM 0 HD3 ARG A 770 -5.338 24.866 -9.220 1.00 53.15 H new ATOM 0 HE ARG A 770 -6.114 27.508 -9.270 1.00 43.13 H new ATOM 0 HH11 ARG A 770 -7.654 24.508 -8.224 1.00 3.22 H new ATOM 0 HH12 ARG A 770 -8.610 25.301 -6.967 1.00 3.22 H new ATOM 0 HH21 ARG A 770 -7.344 28.519 -7.654 1.00 4.44 H new ATOM 0 HH22 ARG A 770 -8.435 27.562 -6.645 1.00 4.44 H new ATOM 323 N LEU A 771 -2.654 25.945 -12.588 1.00 42.35 N ATOM 324 CA LEU A 771 -1.635 26.968 -12.375 1.00 35.21 C ATOM 325 C LEU A 771 -1.216 27.603 -13.697 1.00 12.13 C ATOM 326 O LEU A 771 -1.166 28.827 -13.820 1.00 44.00 O ATOM 327 CB LEU A 771 -0.416 26.363 -11.677 1.00 40.10 C ATOM 328 CG LEU A 771 0.418 27.325 -10.830 1.00 32.24 C ATOM 329 CD1 LEU A 771 1.013 28.423 -11.698 1.00 33.33 C ATOM 330 CD2 LEU A 771 -0.427 27.923 -9.715 1.00 14.14 C ATOM 0 H LEU A 771 -2.451 25.049 -12.145 1.00 42.35 H new ATOM 0 HA LEU A 771 -2.061 27.744 -11.740 1.00 35.21 H new ATOM 0 HB2 LEU A 771 -0.756 25.548 -11.037 1.00 40.10 H new ATOM 0 HB3 LEU A 771 0.232 25.924 -12.436 1.00 40.10 H new ATOM 0 HG LEU A 771 1.236 26.765 -10.378 1.00 32.24 H new ATOM 0 HD11 LEU A 771 1.603 29.098 -11.078 1.00 33.33 H new ATOM 0 HD12 LEU A 771 1.653 27.978 -12.460 1.00 33.33 H new ATOM 0 HD13 LEU A 771 0.210 28.981 -12.179 1.00 33.33 H new ATOM 0 HD21 LEU A 771 0.183 28.605 -9.122 1.00 14.14 H new ATOM 0 HD22 LEU A 771 -1.266 28.468 -10.147 1.00 14.14 H new ATOM 0 HD23 LEU A 771 -0.804 27.125 -9.076 1.00 14.14 H new ATOM 342 N ARG A 772 -0.918 26.763 -14.683 1.00 14.42 N ATOM 343 CA ARG A 772 -0.505 27.243 -15.996 1.00 23.11 C ATOM 344 C ARG A 772 -1.652 27.962 -16.698 1.00 54.44 C ATOM 345 O ARG A 772 -1.431 28.872 -17.498 1.00 13.11 O ATOM 346 CB ARG A 772 -0.016 26.077 -16.857 1.00 41.15 C ATOM 347 CG ARG A 772 1.130 25.297 -16.234 1.00 12.24 C ATOM 348 CD ARG A 772 2.315 26.199 -15.925 1.00 15.23 C ATOM 349 NE ARG A 772 2.730 26.976 -17.090 1.00 35.13 N ATOM 350 CZ ARG A 772 3.480 26.486 -18.070 1.00 52.03 C ATOM 351 NH1 ARG A 772 3.895 25.228 -18.027 1.00 33.54 N ATOM 352 NH2 ARG A 772 3.816 27.255 -19.098 1.00 2.43 N ATOM 0 H ARG A 772 -0.955 25.747 -14.597 1.00 14.42 H new ATOM 0 HA ARG A 772 0.312 27.951 -15.856 1.00 23.11 H new ATOM 0 HB2 ARG A 772 -0.849 25.398 -17.040 1.00 41.15 H new ATOM 0 HB3 ARG A 772 0.302 26.461 -17.826 1.00 41.15 H new ATOM 0 HG2 ARG A 772 0.788 24.816 -15.317 1.00 12.24 H new ATOM 0 HG3 ARG A 772 1.443 24.503 -16.913 1.00 12.24 H new ATOM 0 HD2 ARG A 772 2.053 26.876 -15.112 1.00 15.23 H new ATOM 0 HD3 ARG A 772 3.151 25.592 -15.577 1.00 15.23 H new ATOM 0 HE ARG A 772 2.427 27.948 -17.154 1.00 35.13 H new ATOM 0 HH11 ARG A 772 3.638 24.633 -17.239 1.00 33.54 H new ATOM 0 HH12 ARG A 772 4.471 24.855 -18.782 1.00 33.54 H new ATOM 0 HH21 ARG A 772 3.498 28.223 -19.136 1.00 2.43 H new ATOM 0 HH22 ARG A 772 4.392 26.878 -19.850 1.00 2.43 H new ATOM 366 N ASP A 773 -2.877 27.548 -16.395 1.00 15.02 N ATOM 367 CA ASP A 773 -4.060 28.153 -16.996 1.00 72.14 C ATOM 368 C ASP A 773 -4.244 29.587 -16.511 1.00 4.42 C ATOM 369 O ASP A 773 -4.265 30.526 -17.308 1.00 51.11 O ATOM 370 CB ASP A 773 -5.305 27.327 -16.668 1.00 2.04 C ATOM 371 CG ASP A 773 -6.559 27.891 -17.306 1.00 70.32 C ATOM 372 OD1 ASP A 773 -7.659 27.648 -16.767 1.00 40.14 O ATOM 373 OD2 ASP A 773 -6.441 28.574 -18.345 1.00 63.32 O ATOM 0 H ASP A 773 -3.077 26.795 -15.736 1.00 15.02 H new ATOM 0 HA ASP A 773 -3.919 28.170 -18.077 1.00 72.14 H new ATOM 0 HB2 ASP A 773 -5.157 26.302 -17.008 1.00 2.04 H new ATOM 0 HB3 ASP A 773 -5.437 27.288 -15.587 1.00 2.04 H new ATOM 378 N LEU A 774 -4.377 29.750 -15.199 1.00 65.01 N ATOM 379 CA LEU A 774 -4.559 31.070 -14.606 1.00 53.45 C ATOM 380 C LEU A 774 -3.371 31.975 -14.915 1.00 44.10 C ATOM 381 O LEU A 774 -3.541 33.144 -15.264 1.00 45.04 O ATOM 382 CB LEU A 774 -4.744 30.951 -13.093 1.00 31.43 C ATOM 383 CG LEU A 774 -6.154 30.602 -12.614 1.00 50.12 C ATOM 384 CD1 LEU A 774 -7.143 31.677 -13.039 1.00 62.54 C ATOM 385 CD2 LEU A 774 -6.578 29.242 -13.150 1.00 11.32 C ATOM 0 H LEU A 774 -4.362 28.984 -14.526 1.00 65.01 H new ATOM 0 HA LEU A 774 -5.454 31.515 -15.041 1.00 53.45 H new ATOM 0 HB2 LEU A 774 -4.057 30.190 -12.722 1.00 31.43 H new ATOM 0 HB3 LEU A 774 -4.450 31.896 -12.636 1.00 31.43 H new ATOM 0 HG LEU A 774 -6.146 30.554 -11.525 1.00 50.12 H new ATOM 0 HD11 LEU A 774 -8.141 31.412 -12.690 1.00 62.54 H new ATOM 0 HD12 LEU A 774 -6.849 32.633 -12.606 1.00 62.54 H new ATOM 0 HD13 LEU A 774 -7.149 31.757 -14.126 1.00 62.54 H new ATOM 0 HD21 LEU A 774 -7.584 29.010 -12.799 1.00 11.32 H new ATOM 0 HD22 LEU A 774 -6.569 29.262 -14.240 1.00 11.32 H new ATOM 0 HD23 LEU A 774 -5.885 28.479 -12.795 1.00 11.32 H new ATOM 397 N LEU A 775 -2.168 31.427 -14.786 1.00 25.11 N ATOM 398 CA LEU A 775 -0.949 32.184 -15.053 1.00 73.43 C ATOM 399 C LEU A 775 -0.896 32.632 -16.510 1.00 43.51 C ATOM 400 O LEU A 775 -0.523 33.768 -16.808 1.00 12.23 O ATOM 401 CB LEU A 775 0.282 31.339 -14.722 1.00 63.34 C ATOM 402 CG LEU A 775 1.629 32.059 -14.794 1.00 63.12 C ATOM 403 CD1 LEU A 775 2.632 31.410 -13.853 1.00 63.23 C ATOM 404 CD2 LEU A 775 2.158 32.061 -16.221 1.00 73.22 C ATOM 0 H LEU A 775 -2.010 30.461 -14.498 1.00 25.11 H new ATOM 0 HA LEU A 775 -0.954 33.071 -14.419 1.00 73.43 H new ATOM 0 HB2 LEU A 775 0.161 30.936 -13.717 1.00 63.34 H new ATOM 0 HB3 LEU A 775 0.309 30.490 -15.405 1.00 63.34 H new ATOM 0 HG LEU A 775 1.483 33.093 -14.481 1.00 63.12 H new ATOM 0 HD11 LEU A 775 3.585 31.936 -13.918 1.00 63.23 H new ATOM 0 HD12 LEU A 775 2.258 31.462 -12.831 1.00 63.23 H new ATOM 0 HD13 LEU A 775 2.773 30.367 -14.135 1.00 63.23 H new ATOM 0 HD21 LEU A 775 3.117 32.578 -16.253 1.00 73.22 H new ATOM 0 HD22 LEU A 775 2.288 31.034 -16.562 1.00 73.22 H new ATOM 0 HD23 LEU A 775 1.449 32.573 -16.871 1.00 73.22 H new ATOM 416 N LEU A 776 -1.272 31.735 -17.414 1.00 50.13 N ATOM 417 CA LEU A 776 -1.269 32.039 -18.841 1.00 53.11 C ATOM 418 C LEU A 776 -2.223 33.188 -19.155 1.00 25.11 C ATOM 419 O LEU A 776 -1.829 34.187 -19.757 1.00 43.20 O ATOM 420 CB LEU A 776 -1.663 30.800 -19.647 1.00 42.24 C ATOM 421 CG LEU A 776 -1.786 30.994 -21.159 1.00 51.41 C ATOM 422 CD1 LEU A 776 -1.394 29.722 -21.894 1.00 53.14 C ATOM 423 CD2 LEU A 776 -3.202 31.412 -21.529 1.00 43.24 C ATOM 0 H LEU A 776 -1.583 30.791 -17.185 1.00 50.13 H new ATOM 0 HA LEU A 776 -0.260 32.342 -19.121 1.00 53.11 H new ATOM 0 HB2 LEU A 776 -0.925 30.020 -19.460 1.00 42.24 H new ATOM 0 HB3 LEU A 776 -2.617 30.434 -19.269 1.00 42.24 H new ATOM 0 HG LEU A 776 -1.103 31.788 -21.461 1.00 51.41 H new ATOM 0 HD11 LEU A 776 -1.488 29.879 -22.969 1.00 53.14 H new ATOM 0 HD12 LEU A 776 -0.362 29.466 -21.653 1.00 53.14 H new ATOM 0 HD13 LEU A 776 -2.051 28.908 -21.588 1.00 53.14 H new ATOM 0 HD21 LEU A 776 -3.272 31.546 -22.609 1.00 43.24 H new ATOM 0 HD22 LEU A 776 -3.904 30.640 -21.213 1.00 43.24 H new ATOM 0 HD23 LEU A 776 -3.446 32.350 -21.031 1.00 43.24 H new ATOM 435 N ILE A 777 -3.476 33.039 -18.741 1.00 54.12 N ATOM 436 CA ILE A 777 -4.484 34.066 -18.975 1.00 74.33 C ATOM 437 C ILE A 777 -4.037 35.413 -18.418 1.00 21.30 C ATOM 438 O ILE A 777 -3.966 36.404 -19.144 1.00 2.51 O ATOM 439 CB ILE A 777 -5.835 33.684 -18.341 1.00 61.54 C ATOM 440 CG1 ILE A 777 -6.354 32.376 -18.943 1.00 42.03 C ATOM 441 CG2 ILE A 777 -6.847 34.802 -18.538 1.00 35.14 C ATOM 442 CD1 ILE A 777 -6.680 32.477 -20.417 1.00 22.31 C ATOM 0 H ILE A 777 -3.818 32.218 -18.242 1.00 54.12 H new ATOM 0 HA ILE A 777 -4.608 34.145 -20.055 1.00 74.33 H new ATOM 0 HB ILE A 777 -5.689 33.537 -17.271 1.00 61.54 H new ATOM 0 HG12 ILE A 777 -5.606 31.596 -18.797 1.00 42.03 H new ATOM 0 HG13 ILE A 777 -7.248 32.066 -18.402 1.00 42.03 H new ATOM 0 HG21 ILE A 777 -7.797 34.517 -18.085 1.00 35.14 H new ATOM 0 HG22 ILE A 777 -6.479 35.713 -18.067 1.00 35.14 H new ATOM 0 HG23 ILE A 777 -6.992 34.978 -19.604 1.00 35.14 H new ATOM 0 HD11 ILE A 777 -7.042 31.514 -20.776 1.00 22.31 H new ATOM 0 HD12 ILE A 777 -7.450 33.233 -20.568 1.00 22.31 H new ATOM 0 HD13 ILE A 777 -5.783 32.757 -20.970 1.00 22.31 H new ATOM 454 N VAL A 778 -3.734 35.441 -17.124 1.00 33.41 N ATOM 455 CA VAL A 778 -3.290 36.665 -16.469 1.00 13.12 C ATOM 456 C VAL A 778 -2.135 37.307 -17.228 1.00 62.14 C ATOM 457 O VAL A 778 -2.233 38.447 -17.684 1.00 22.11 O ATOM 458 CB VAL A 778 -2.850 36.397 -15.017 1.00 53.32 C ATOM 459 CG1 VAL A 778 -2.339 37.675 -14.370 1.00 15.35 C ATOM 460 CG2 VAL A 778 -3.998 35.804 -14.214 1.00 0.52 C ATOM 0 H VAL A 778 -3.788 34.629 -16.509 1.00 33.41 H new ATOM 0 HA VAL A 778 -4.140 37.347 -16.463 1.00 13.12 H new ATOM 0 HB VAL A 778 -2.035 35.674 -15.030 1.00 53.32 H new ATOM 0 HG11 VAL A 778 -2.033 37.467 -13.345 1.00 15.35 H new ATOM 0 HG12 VAL A 778 -1.486 38.052 -14.934 1.00 15.35 H new ATOM 0 HG13 VAL A 778 -3.132 38.423 -14.367 1.00 15.35 H new ATOM 0 HG21 VAL A 778 -3.670 35.621 -13.191 1.00 0.52 H new ATOM 0 HG22 VAL A 778 -4.836 36.501 -14.207 1.00 0.52 H new ATOM 0 HG23 VAL A 778 -4.312 34.864 -14.668 1.00 0.52 H new ATOM 470 N THR A 779 -1.038 36.567 -17.363 1.00 14.04 N ATOM 471 CA THR A 779 0.137 37.063 -18.067 1.00 2.45 C ATOM 472 C THR A 779 -0.231 37.590 -19.449 1.00 32.31 C ATOM 473 O THR A 779 0.193 38.676 -19.843 1.00 63.13 O ATOM 474 CB THR A 779 1.208 35.966 -18.216 1.00 34.10 C ATOM 475 OG1 THR A 779 0.649 34.823 -18.873 1.00 71.03 O ATOM 476 CG2 THR A 779 1.757 35.558 -16.858 1.00 23.54 C ATOM 0 H THR A 779 -0.940 35.621 -16.993 1.00 14.04 H new ATOM 0 HA THR A 779 0.543 37.878 -17.468 1.00 2.45 H new ATOM 0 HB THR A 779 2.026 36.366 -18.815 1.00 34.10 H new ATOM 0 HG1 THR A 779 -0.012 34.399 -18.286 1.00 71.03 H new ATOM 0 HG21 THR A 779 2.512 34.782 -16.989 1.00 23.54 H new ATOM 0 HG22 THR A 779 2.207 36.424 -16.372 1.00 23.54 H new ATOM 0 HG23 THR A 779 0.946 35.175 -16.238 1.00 23.54 H new ATOM 484 N ARG A 780 -1.024 36.813 -20.181 1.00 3.33 N ATOM 485 CA ARG A 780 -1.449 37.202 -21.520 1.00 62.20 C ATOM 486 C ARG A 780 -2.076 38.593 -21.509 1.00 73.43 C ATOM 487 O ARG A 780 -1.589 39.509 -22.172 1.00 53.10 O ATOM 488 CB ARG A 780 -2.447 36.185 -22.077 1.00 23.44 C ATOM 489 CG ARG A 780 -1.794 35.054 -22.855 1.00 41.21 C ATOM 490 CD ARG A 780 -1.087 35.570 -24.099 1.00 75.21 C ATOM 491 NE ARG A 780 -0.669 34.483 -24.981 1.00 3.43 N ATOM 492 CZ ARG A 780 0.328 33.651 -24.699 1.00 55.02 C ATOM 493 NH1 ARG A 780 1.003 33.780 -23.566 1.00 22.12 N ATOM 494 NH2 ARG A 780 0.649 32.687 -25.552 1.00 62.12 N ATOM 0 H ARG A 780 -1.385 35.911 -19.869 1.00 3.33 H new ATOM 0 HA ARG A 780 -0.568 37.225 -22.161 1.00 62.20 H new ATOM 0 HB2 ARG A 780 -3.021 35.763 -21.252 1.00 23.44 H new ATOM 0 HB3 ARG A 780 -3.154 36.701 -22.727 1.00 23.44 H new ATOM 0 HG2 ARG A 780 -1.078 34.537 -22.216 1.00 41.21 H new ATOM 0 HG3 ARG A 780 -2.551 34.324 -23.142 1.00 41.21 H new ATOM 0 HD2 ARG A 780 -1.752 36.242 -24.642 1.00 75.21 H new ATOM 0 HD3 ARG A 780 -0.215 36.154 -23.805 1.00 75.21 H new ATOM 0 HE ARG A 780 -1.169 34.356 -25.861 1.00 3.43 H new ATOM 0 HH11 ARG A 780 0.758 34.519 -22.908 1.00 22.12 H new ATOM 0 HH12 ARG A 780 1.768 33.140 -23.352 1.00 22.12 H new ATOM 0 HH21 ARG A 780 0.131 32.584 -26.424 1.00 62.12 H new ATOM 0 HH22 ARG A 780 1.414 32.048 -25.335 1.00 62.12 H new ATOM 508 N ILE A 781 -3.159 38.742 -20.754 1.00 21.35 N ATOM 509 CA ILE A 781 -3.852 40.020 -20.656 1.00 51.25 C ATOM 510 C ILE A 781 -2.886 41.144 -20.296 1.00 63.54 C ATOM 511 O ILE A 781 -2.946 42.235 -20.863 1.00 72.32 O ATOM 512 CB ILE A 781 -4.979 39.972 -19.608 1.00 22.44 C ATOM 513 CG1 ILE A 781 -5.983 38.872 -19.957 1.00 75.21 C ATOM 514 CG2 ILE A 781 -5.674 41.322 -19.514 1.00 71.42 C ATOM 515 CD1 ILE A 781 -6.716 39.114 -21.258 1.00 61.22 C ATOM 0 H ILE A 781 -3.576 37.993 -20.201 1.00 21.35 H new ATOM 0 HA ILE A 781 -4.287 40.218 -21.636 1.00 51.25 H new ATOM 0 HB ILE A 781 -4.542 39.743 -18.636 1.00 22.44 H new ATOM 0 HG12 ILE A 781 -5.459 37.918 -20.017 1.00 75.21 H new ATOM 0 HG13 ILE A 781 -6.711 38.786 -19.150 1.00 75.21 H new ATOM 0 HG21 ILE A 781 -6.468 41.271 -18.769 1.00 71.42 H new ATOM 0 HG22 ILE A 781 -4.951 42.084 -19.223 1.00 71.42 H new ATOM 0 HG23 ILE A 781 -6.102 41.579 -20.483 1.00 71.42 H new ATOM 0 HD11 ILE A 781 -7.411 38.295 -21.442 1.00 61.22 H new ATOM 0 HD12 ILE A 781 -7.269 40.051 -21.195 1.00 61.22 H new ATOM 0 HD13 ILE A 781 -5.997 39.170 -22.076 1.00 61.22 H new ATOM 527 N VAL A 782 -1.993 40.868 -19.351 1.00 2.32 N ATOM 528 CA VAL A 782 -1.011 41.854 -18.917 1.00 4.44 C ATOM 529 C VAL A 782 -0.169 42.345 -20.089 1.00 62.22 C ATOM 530 O VAL A 782 0.050 43.545 -20.249 1.00 41.01 O ATOM 531 CB VAL A 782 -0.078 41.279 -17.835 1.00 22.44 C ATOM 532 CG1 VAL A 782 0.954 42.313 -17.413 1.00 43.52 C ATOM 533 CG2 VAL A 782 -0.884 40.799 -16.637 1.00 0.31 C ATOM 0 H VAL A 782 -1.930 39.970 -18.872 1.00 2.32 H new ATOM 0 HA VAL A 782 -1.569 42.692 -18.498 1.00 4.44 H new ATOM 0 HB VAL A 782 0.451 40.424 -18.255 1.00 22.44 H new ATOM 0 HG11 VAL A 782 1.604 41.888 -16.648 1.00 43.52 H new ATOM 0 HG12 VAL A 782 1.552 42.603 -18.277 1.00 43.52 H new ATOM 0 HG13 VAL A 782 0.447 43.190 -17.011 1.00 43.52 H new ATOM 0 HG21 VAL A 782 -0.209 40.396 -15.882 1.00 0.31 H new ATOM 0 HG22 VAL A 782 -1.442 41.635 -16.215 1.00 0.31 H new ATOM 0 HG23 VAL A 782 -1.579 40.022 -16.954 1.00 0.31 H new ATOM 543 N GLU A 783 0.300 41.407 -20.907 1.00 2.50 N ATOM 544 CA GLU A 783 1.119 41.745 -22.065 1.00 53.35 C ATOM 545 C GLU A 783 0.317 42.556 -23.080 1.00 63.21 C ATOM 546 O GLU A 783 0.779 43.586 -23.573 1.00 10.25 O ATOM 547 CB GLU A 783 1.659 40.474 -22.724 1.00 40.31 C ATOM 548 CG GLU A 783 2.945 40.692 -23.503 1.00 24.00 C ATOM 549 CD GLU A 783 4.035 41.330 -22.663 1.00 70.22 C ATOM 550 OE1 GLU A 783 4.163 40.959 -21.477 1.00 53.14 O ATOM 551 OE2 GLU A 783 4.759 42.199 -23.191 1.00 4.20 O ATOM 0 H GLU A 783 0.127 40.409 -20.789 1.00 2.50 H new ATOM 0 HA GLU A 783 1.957 42.351 -21.721 1.00 53.35 H new ATOM 0 HB2 GLU A 783 1.833 39.722 -21.955 1.00 40.31 H new ATOM 0 HB3 GLU A 783 0.900 40.073 -23.396 1.00 40.31 H new ATOM 0 HG2 GLU A 783 3.300 39.735 -23.886 1.00 24.00 H new ATOM 0 HG3 GLU A 783 2.740 41.325 -24.366 1.00 24.00 H new ATOM 850 N LEU A 800 -16.172 55.053 -15.925 1.00 41.22 N ATOM 851 CA LEU A 800 -16.290 55.482 -14.536 1.00 25.12 C ATOM 852 C LEU A 800 -17.185 56.711 -14.419 1.00 51.11 C ATOM 853 O LEU A 800 -18.182 56.698 -13.697 1.00 24.30 O ATOM 854 CB LEU A 800 -14.907 55.787 -13.957 1.00 1.50 C ATOM 855 CG LEU A 800 -14.857 56.078 -12.457 1.00 3.43 C ATOM 856 CD1 LEU A 800 -15.308 57.503 -12.174 1.00 5.12 C ATOM 857 CD2 LEU A 800 -15.716 55.083 -11.691 1.00 54.13 C ATOM 0 HA LEU A 800 -16.744 54.670 -13.968 1.00 25.12 H new ATOM 0 HB2 LEU A 800 -14.253 54.940 -14.164 1.00 1.50 H new ATOM 0 HB3 LEU A 800 -14.494 56.645 -14.487 1.00 1.50 H new ATOM 0 HG LEU A 800 -13.826 55.971 -12.120 1.00 3.43 H new ATOM 0 HD11 LEU A 800 -15.266 57.692 -11.101 1.00 5.12 H new ATOM 0 HD12 LEU A 800 -14.651 58.202 -12.692 1.00 5.12 H new ATOM 0 HD13 LEU A 800 -16.331 57.638 -12.526 1.00 5.12 H new ATOM 0 HD21 LEU A 800 -15.668 55.306 -10.625 1.00 54.13 H new ATOM 0 HD22 LEU A 800 -16.749 55.157 -12.031 1.00 54.13 H new ATOM 0 HD23 LEU A 800 -15.347 54.073 -11.867 1.00 54.13 H new ATOM 869 N GLN A 801 -16.824 57.770 -15.136 1.00 2.41 N ATOM 870 CA GLN A 801 -17.596 59.007 -15.113 1.00 72.13 C ATOM 871 C GLN A 801 -19.028 58.763 -15.579 1.00 2.10 C ATOM 872 O GLN A 801 -19.965 59.401 -15.098 1.00 43.34 O ATOM 873 CB GLN A 801 -16.933 60.064 -15.998 1.00 25.20 C ATOM 874 CG GLN A 801 -15.489 60.353 -15.621 1.00 4.30 C ATOM 875 CD GLN A 801 -15.356 60.954 -14.236 1.00 15.45 C ATOM 876 OE1 GLN A 801 -15.712 60.327 -13.237 1.00 65.34 O ATOM 877 NE2 GLN A 801 -14.843 62.177 -14.167 1.00 13.21 N ATOM 0 H GLN A 801 -16.002 57.796 -15.740 1.00 2.41 H new ATOM 0 HA GLN A 801 -17.624 59.369 -14.085 1.00 72.13 H new ATOM 0 HB2 GLN A 801 -16.970 59.732 -17.036 1.00 25.20 H new ATOM 0 HB3 GLN A 801 -17.508 60.988 -15.938 1.00 25.20 H new ATOM 0 HG2 GLN A 801 -14.913 59.429 -15.668 1.00 4.30 H new ATOM 0 HG3 GLN A 801 -15.056 61.036 -16.352 1.00 4.30 H new ATOM 0 HE21 GLN A 801 -14.561 62.661 -15.020 1.00 13.21 H new ATOM 0 HE22 GLN A 801 -14.731 62.633 -13.261 1.00 13.21 H new ATOM 886 N TYR A 802 -19.190 57.837 -16.517 1.00 63.30 N ATOM 887 CA TYR A 802 -20.507 57.511 -17.050 1.00 32.42 C ATOM 888 C TYR A 802 -21.424 56.984 -15.950 1.00 55.13 C ATOM 889 O TYR A 802 -22.473 57.565 -15.670 1.00 3.50 O ATOM 890 CB TYR A 802 -20.386 56.474 -18.168 1.00 61.10 C ATOM 891 CG TYR A 802 -20.696 57.026 -19.541 1.00 63.43 C ATOM 892 CD1 TYR A 802 -21.878 57.714 -19.785 1.00 24.01 C ATOM 893 CD2 TYR A 802 -19.806 56.859 -20.595 1.00 45.02 C ATOM 894 CE1 TYR A 802 -22.165 58.219 -21.038 1.00 61.12 C ATOM 895 CE2 TYR A 802 -20.084 57.362 -21.852 1.00 22.25 C ATOM 896 CZ TYR A 802 -21.265 58.040 -22.068 1.00 41.51 C ATOM 897 OH TYR A 802 -21.547 58.543 -23.318 1.00 3.23 O ATOM 0 H TYR A 802 -18.425 57.299 -16.924 1.00 63.30 H new ATOM 0 HA TYR A 802 -20.943 58.424 -17.456 1.00 32.42 H new ATOM 0 HB2 TYR A 802 -19.374 56.069 -18.168 1.00 61.10 H new ATOM 0 HB3 TYR A 802 -21.061 55.645 -17.958 1.00 61.10 H new ATOM 0 HD1 TYR A 802 -22.585 57.856 -18.981 1.00 24.01 H new ATOM 0 HD2 TYR A 802 -18.881 56.327 -20.429 1.00 45.02 H new ATOM 0 HE1 TYR A 802 -23.089 58.751 -21.210 1.00 61.12 H new ATOM 0 HE2 TYR A 802 -19.381 57.225 -22.660 1.00 22.25 H new ATOM 0 HH TYR A 802 -20.811 58.332 -23.929 1.00 3.23 H new ATOM 907 N TRP A 803 -21.021 55.881 -15.331 1.00 74.41 N ATOM 908 CA TRP A 803 -21.806 55.275 -14.261 1.00 60.21 C ATOM 909 C TRP A 803 -22.037 56.267 -13.127 1.00 24.25 C ATOM 910 O TRP A 803 -23.159 56.424 -12.646 1.00 2.12 O ATOM 911 CB TRP A 803 -21.101 54.026 -13.728 1.00 53.32 C ATOM 912 CG TRP A 803 -20.780 53.024 -14.795 1.00 53.25 C ATOM 913 CD1 TRP A 803 -19.570 52.437 -15.031 1.00 41.12 C ATOM 914 CD2 TRP A 803 -21.683 52.494 -15.772 1.00 63.32 C ATOM 915 NE1 TRP A 803 -19.666 51.574 -16.096 1.00 24.42 N ATOM 916 CE2 TRP A 803 -20.952 51.590 -16.567 1.00 64.44 C ATOM 917 CE3 TRP A 803 -23.037 52.693 -16.051 1.00 75.32 C ATOM 918 CZ2 TRP A 803 -21.531 50.889 -17.622 1.00 32.13 C ATOM 919 CZ3 TRP A 803 -23.611 51.997 -17.098 1.00 71.32 C ATOM 920 CH2 TRP A 803 -22.859 51.103 -17.873 1.00 12.24 C ATOM 0 H TRP A 803 -20.156 55.388 -15.551 1.00 74.41 H new ATOM 0 HA TRP A 803 -22.775 54.989 -14.671 1.00 60.21 H new ATOM 0 HB2 TRP A 803 -20.178 54.323 -13.229 1.00 53.32 H new ATOM 0 HB3 TRP A 803 -21.733 53.555 -12.975 1.00 53.32 H new ATOM 0 HD1 TRP A 803 -18.670 52.624 -14.464 1.00 41.12 H new ATOM 0 HE1 TRP A 803 -18.903 51.012 -16.474 1.00 24.42 H new ATOM 0 HE3 TRP A 803 -23.625 53.379 -15.459 1.00 75.32 H new ATOM 0 HZ2 TRP A 803 -20.952 50.201 -18.221 1.00 32.13 H new ATOM 0 HZ3 TRP A 803 -24.657 52.144 -17.323 1.00 71.32 H new ATOM 0 HH2 TRP A 803 -23.337 50.573 -18.684 1.00 12.24 H new ATOM 931 N SER A 804 -20.968 56.934 -12.703 1.00 21.11 N ATOM 932 CA SER A 804 -21.054 57.909 -11.622 1.00 31.53 C ATOM 933 C SER A 804 -22.164 58.920 -11.890 1.00 12.25 C ATOM 934 O SER A 804 -23.118 59.028 -11.120 1.00 34.02 O ATOM 935 CB SER A 804 -19.718 58.634 -11.453 1.00 24.35 C ATOM 936 OG SER A 804 -19.622 59.234 -10.172 1.00 64.04 O ATOM 0 H SER A 804 -20.032 56.817 -13.092 1.00 21.11 H new ATOM 0 HA SER A 804 -21.288 57.374 -10.701 1.00 31.53 H new ATOM 0 HB2 SER A 804 -18.898 57.929 -11.590 1.00 24.35 H new ATOM 0 HB3 SER A 804 -19.615 59.397 -12.224 1.00 24.35 H new ATOM 0 HG SER A 804 -18.758 59.690 -10.088 1.00 64.04 H new ATOM 942 N GLN A 805 -22.031 59.659 -12.986 1.00 41.03 N ATOM 943 CA GLN A 805 -23.022 60.663 -13.356 1.00 20.32 C ATOM 944 C GLN A 805 -24.403 60.034 -13.506 1.00 53.15 C ATOM 945 O GLN A 805 -25.417 60.662 -13.203 1.00 51.15 O ATOM 946 CB GLN A 805 -22.618 61.353 -14.660 1.00 1.24 C ATOM 947 CG GLN A 805 -23.668 62.317 -15.188 1.00 61.15 C ATOM 948 CD GLN A 805 -23.954 63.453 -14.227 1.00 14.13 C ATOM 949 OE1 GLN A 805 -24.363 63.229 -13.087 1.00 23.12 O ATOM 950 NE2 GLN A 805 -23.741 64.682 -14.682 1.00 14.23 N ATOM 0 H GLN A 805 -21.247 59.582 -13.634 1.00 41.03 H new ATOM 0 HA GLN A 805 -23.065 61.406 -12.559 1.00 20.32 H new ATOM 0 HB2 GLN A 805 -21.686 61.895 -14.501 1.00 1.24 H new ATOM 0 HB3 GLN A 805 -22.420 60.594 -15.417 1.00 1.24 H new ATOM 0 HG2 GLN A 805 -23.332 62.728 -16.140 1.00 61.15 H new ATOM 0 HG3 GLN A 805 -24.591 61.771 -15.384 1.00 61.15 H new ATOM 0 HE21 GLN A 805 -23.402 64.822 -15.634 1.00 14.23 H new ATOM 0 HE22 GLN A 805 -23.917 65.486 -14.080 1.00 14.23 H new ATOM 959 N GLU A 806 -24.434 58.791 -13.977 1.00 14.11 N ATOM 960 CA GLU A 806 -25.692 58.079 -14.169 1.00 33.14 C ATOM 961 C GLU A 806 -26.448 57.944 -12.850 1.00 1.54 C ATOM 962 O GLU A 806 -27.633 58.268 -12.764 1.00 54.03 O ATOM 963 CB GLU A 806 -25.434 56.693 -14.764 1.00 41.44 C ATOM 964 CG GLU A 806 -25.998 56.518 -16.164 1.00 43.25 C ATOM 965 CD GLU A 806 -27.458 56.109 -16.158 1.00 41.24 C ATOM 966 OE1 GLU A 806 -27.979 55.790 -15.069 1.00 73.14 O ATOM 967 OE2 GLU A 806 -28.079 56.108 -17.242 1.00 22.03 O ATOM 0 H GLU A 806 -23.603 58.257 -14.232 1.00 14.11 H new ATOM 0 HA GLU A 806 -26.304 58.657 -14.862 1.00 33.14 H new ATOM 0 HB2 GLU A 806 -24.359 56.512 -14.789 1.00 41.44 H new ATOM 0 HB3 GLU A 806 -25.870 55.939 -14.109 1.00 41.44 H new ATOM 0 HG2 GLU A 806 -25.889 57.452 -16.715 1.00 43.25 H new ATOM 0 HG3 GLU A 806 -25.416 55.765 -16.695 1.00 43.25 H new ATOM 974 N LEU A 807 -25.754 57.465 -11.824 1.00 30.45 N ATOM 975 CA LEU A 807 -26.358 57.286 -10.508 1.00 13.22 C ATOM 976 C LEU A 807 -26.702 58.633 -9.880 1.00 34.15 C ATOM 977 O LEU A 807 -27.711 58.768 -9.187 1.00 32.54 O ATOM 978 CB LEU A 807 -25.411 56.510 -9.591 1.00 34.11 C ATOM 979 CG LEU A 807 -25.403 54.991 -9.766 1.00 65.14 C ATOM 980 CD1 LEU A 807 -24.060 54.413 -9.345 1.00 75.21 C ATOM 981 CD2 LEU A 807 -26.533 54.355 -8.970 1.00 2.52 C ATOM 0 H LEU A 807 -24.772 57.193 -11.878 1.00 30.45 H new ATOM 0 HA LEU A 807 -27.280 56.717 -10.633 1.00 13.22 H new ATOM 0 HB2 LEU A 807 -24.398 56.880 -9.751 1.00 34.11 H new ATOM 0 HB3 LEU A 807 -25.673 56.735 -8.557 1.00 34.11 H new ATOM 0 HG LEU A 807 -25.559 54.765 -10.821 1.00 65.14 H new ATOM 0 HD11 LEU A 807 -24.072 53.331 -9.476 1.00 75.21 H new ATOM 0 HD12 LEU A 807 -23.270 54.844 -9.960 1.00 75.21 H new ATOM 0 HD13 LEU A 807 -23.875 54.649 -8.297 1.00 75.21 H new ATOM 0 HD21 LEU A 807 -26.511 53.274 -9.107 1.00 2.52 H new ATOM 0 HD22 LEU A 807 -26.410 54.589 -7.913 1.00 2.52 H new ATOM 0 HD23 LEU A 807 -27.489 54.746 -9.319 1.00 2.52 H new ATOM 993 N LYS A 808 -25.858 59.629 -10.128 1.00 35.42 N ATOM 994 CA LYS A 808 -26.074 60.967 -9.590 1.00 63.31 C ATOM 995 C LYS A 808 -27.312 61.609 -10.208 1.00 62.30 C ATOM 996 O LYS A 808 -28.259 61.955 -9.504 1.00 54.12 O ATOM 997 CB LYS A 808 -24.848 61.846 -9.848 1.00 62.31 C ATOM 998 CG LYS A 808 -23.984 62.060 -8.618 1.00 5.43 C ATOM 999 CD LYS A 808 -23.455 60.745 -8.071 1.00 33.22 C ATOM 1000 CE LYS A 808 -22.123 60.931 -7.361 1.00 62.04 C ATOM 1001 NZ LYS A 808 -22.231 61.878 -6.217 1.00 72.31 N ATOM 0 H LYS A 808 -25.018 59.535 -10.698 1.00 35.42 H new ATOM 0 HA LYS A 808 -26.231 60.878 -8.515 1.00 63.31 H new ATOM 0 HB2 LYS A 808 -24.243 61.390 -10.632 1.00 62.31 H new ATOM 0 HB3 LYS A 808 -25.178 62.815 -10.223 1.00 62.31 H new ATOM 0 HG2 LYS A 808 -23.148 62.713 -8.869 1.00 5.43 H new ATOM 0 HG3 LYS A 808 -24.565 62.568 -7.848 1.00 5.43 H new ATOM 0 HD2 LYS A 808 -24.181 60.320 -7.378 1.00 33.22 H new ATOM 0 HD3 LYS A 808 -23.337 60.032 -8.887 1.00 33.22 H new ATOM 0 HE2 LYS A 808 -21.766 59.966 -7.001 1.00 62.04 H new ATOM 0 HE3 LYS A 808 -21.382 61.301 -8.070 1.00 62.04 H new ATOM 0 HZ1 LYS A 808 -21.330 61.900 -5.698 1.00 72.31 H new ATOM 0 HZ2 LYS A 808 -22.448 62.830 -6.574 1.00 72.31 H new ATOM 0 HZ3 LYS A 808 -22.990 61.566 -5.579 1.00 72.31 H new ATOM 1015 N ASN A 809 -27.297 61.763 -11.528 1.00 65.11 N ATOM 1016 CA ASN A 809 -28.419 62.362 -12.241 1.00 0.45 C ATOM 1017 C ASN A 809 -29.714 61.613 -11.944 1.00 73.33 C ATOM 1018 O ASN A 809 -30.754 62.223 -11.697 1.00 53.14 O ATOM 1019 CB ASN A 809 -28.151 62.365 -13.747 1.00 31.11 C ATOM 1020 CG ASN A 809 -29.371 62.771 -14.551 1.00 35.35 C ATOM 1021 OD1 ASN A 809 -29.628 63.957 -14.754 1.00 41.42 O ATOM 1022 ND2 ASN A 809 -30.131 61.784 -15.011 1.00 72.23 N ATOM 0 H ASN A 809 -26.520 61.481 -12.126 1.00 65.11 H new ATOM 0 HA ASN A 809 -28.528 63.391 -11.897 1.00 0.45 H new ATOM 0 HB2 ASN A 809 -27.331 63.049 -13.966 1.00 31.11 H new ATOM 0 HB3 ASN A 809 -27.829 61.371 -14.058 1.00 31.11 H new ATOM 0 HD21 ASN A 809 -30.966 61.995 -15.557 1.00 72.23 H new ATOM 0 HD22 ASN A 809 -29.880 60.814 -14.818 1.00 72.23 H new ATOM 1029 N SER A 810 -29.643 60.286 -11.970 1.00 63.44 N ATOM 1030 CA SER A 810 -30.810 59.452 -11.708 1.00 21.12 C ATOM 1031 C SER A 810 -31.299 59.638 -10.275 1.00 32.12 C ATOM 1032 O SER A 810 -32.485 59.866 -10.037 1.00 3.32 O ATOM 1033 CB SER A 810 -30.478 57.980 -11.958 1.00 71.44 C ATOM 1034 OG SER A 810 -31.549 57.141 -11.562 1.00 31.24 O ATOM 0 H SER A 810 -28.789 59.765 -12.170 1.00 63.44 H new ATOM 0 HA SER A 810 -31.605 59.758 -12.388 1.00 21.12 H new ATOM 0 HB2 SER A 810 -30.264 57.827 -13.016 1.00 71.44 H new ATOM 0 HB3 SER A 810 -29.577 57.709 -11.408 1.00 71.44 H new ATOM 0 HG SER A 810 -31.312 56.206 -11.734 1.00 31.24 H new ATOM 1040 N ALA A 811 -30.376 59.538 -9.324 1.00 14.24 N ATOM 1041 CA ALA A 811 -30.712 59.697 -7.914 1.00 41.21 C ATOM 1042 C ALA A 811 -31.488 60.988 -7.677 1.00 12.13 C ATOM 1043 O ALA A 811 -32.570 60.975 -7.089 1.00 61.10 O ATOM 1044 CB ALA A 811 -29.449 59.675 -7.065 1.00 74.52 C ATOM 0 H ALA A 811 -29.390 59.348 -9.504 1.00 14.24 H new ATOM 0 HA ALA A 811 -31.349 58.862 -7.621 1.00 41.21 H new ATOM 0 HB1 ALA A 811 -29.715 59.795 -6.015 1.00 74.52 H new ATOM 0 HB2 ALA A 811 -28.934 58.724 -7.203 1.00 74.52 H new ATOM 0 HB3 ALA A 811 -28.792 60.490 -7.368 1.00 74.52 H new ATOM 1050 N VAL A 812 -30.929 62.103 -8.137 1.00 22.31 N ATOM 1051 CA VAL A 812 -31.569 63.403 -7.975 1.00 30.41 C ATOM 1052 C VAL A 812 -32.899 63.456 -8.717 1.00 54.34 C ATOM 1053 O VAL A 812 -33.869 64.039 -8.234 1.00 4.45 O ATOM 1054 CB VAL A 812 -30.664 64.541 -8.482 1.00 51.13 C ATOM 1055 CG1 VAL A 812 -31.354 65.886 -8.316 1.00 52.31 C ATOM 1056 CG2 VAL A 812 -29.329 64.524 -7.754 1.00 45.23 C ATOM 0 H VAL A 812 -30.034 62.132 -8.625 1.00 22.31 H new ATOM 0 HA VAL A 812 -31.746 63.539 -6.908 1.00 30.41 H new ATOM 0 HB VAL A 812 -30.475 64.386 -9.544 1.00 51.13 H new ATOM 0 HG11 VAL A 812 -30.699 66.678 -8.680 1.00 52.31 H new ATOM 0 HG12 VAL A 812 -32.282 65.892 -8.887 1.00 52.31 H new ATOM 0 HG13 VAL A 812 -31.576 66.054 -7.262 1.00 52.31 H new ATOM 0 HG21 VAL A 812 -28.702 65.335 -8.125 1.00 45.23 H new ATOM 0 HG22 VAL A 812 -29.496 64.654 -6.685 1.00 45.23 H new ATOM 0 HG23 VAL A 812 -28.831 63.571 -7.930 1.00 45.23 H new ATOM 1066 N ASN A 813 -32.938 62.843 -9.896 1.00 13.21 N ATOM 1067 CA ASN A 813 -34.151 62.821 -10.706 1.00 45.04 C ATOM 1068 C ASN A 813 -35.254 62.027 -10.013 1.00 41.42 C ATOM 1069 O ASN A 813 -36.437 62.347 -10.139 1.00 3.42 O ATOM 1070 CB ASN A 813 -33.859 62.216 -12.081 1.00 42.43 C ATOM 1071 CG ASN A 813 -35.009 62.405 -13.052 1.00 30.35 C ATOM 1072 OD1 ASN A 813 -35.213 63.495 -13.586 1.00 21.12 O ATOM 1073 ND2 ASN A 813 -35.768 61.340 -13.283 1.00 64.33 N ATOM 0 H ASN A 813 -32.144 62.355 -10.311 1.00 13.21 H new ATOM 0 HA ASN A 813 -34.492 63.848 -10.833 1.00 45.04 H new ATOM 0 HB2 ASN A 813 -32.960 62.674 -12.493 1.00 42.43 H new ATOM 0 HB3 ASN A 813 -33.652 61.152 -11.970 1.00 42.43 H new ATOM 0 HD21 ASN A 813 -36.557 61.406 -13.926 1.00 64.33 H new ATOM 0 HD22 ASN A 813 -35.562 60.456 -12.818 1.00 64.33 H new ATOM 1080 N LEU A 814 -34.859 60.992 -9.281 1.00 72.52 N ATOM 1081 CA LEU A 814 -35.814 60.151 -8.567 1.00 11.54 C ATOM 1082 C LEU A 814 -36.395 60.889 -7.365 1.00 13.14 C ATOM 1083 O LEU A 814 -37.608 60.891 -7.151 1.00 33.44 O ATOM 1084 CB LEU A 814 -35.141 58.857 -8.108 1.00 70.42 C ATOM 1085 CG LEU A 814 -36.072 57.671 -7.851 1.00 23.00 C ATOM 1086 CD1 LEU A 814 -36.365 56.931 -9.147 1.00 45.30 C ATOM 1087 CD2 LEU A 814 -35.463 56.729 -6.823 1.00 33.44 C ATOM 0 H LEU A 814 -33.884 60.714 -9.166 1.00 72.52 H new ATOM 0 HA LEU A 814 -36.628 59.907 -9.250 1.00 11.54 H new ATOM 0 HB2 LEU A 814 -34.411 58.563 -8.862 1.00 70.42 H new ATOM 0 HB3 LEU A 814 -34.587 59.064 -7.192 1.00 70.42 H new ATOM 0 HG LEU A 814 -37.013 58.052 -7.454 1.00 23.00 H new ATOM 0 HD11 LEU A 814 -37.029 56.091 -8.944 1.00 45.30 H new ATOM 0 HD12 LEU A 814 -36.844 57.609 -9.853 1.00 45.30 H new ATOM 0 HD13 LEU A 814 -35.433 56.562 -9.574 1.00 45.30 H new ATOM 0 HD21 LEU A 814 -36.139 55.891 -6.652 1.00 33.44 H new ATOM 0 HD22 LEU A 814 -34.508 56.356 -7.192 1.00 33.44 H new ATOM 0 HD23 LEU A 814 -35.306 57.265 -5.887 1.00 33.44 H new ATOM 1099 N LEU A 815 -35.523 61.517 -6.584 1.00 22.10 N ATOM 1100 CA LEU A 815 -35.949 62.261 -5.404 1.00 13.01 C ATOM 1101 C LEU A 815 -36.804 63.462 -5.797 1.00 20.22 C ATOM 1102 O LEU A 815 -37.741 63.827 -5.089 1.00 12.13 O ATOM 1103 CB LEU A 815 -34.732 62.727 -4.603 1.00 51.23 C ATOM 1104 CG LEU A 815 -34.197 64.118 -4.945 1.00 4.13 C ATOM 1105 CD1 LEU A 815 -34.967 65.188 -4.187 1.00 34.33 C ATOM 1106 CD2 LEU A 815 -32.710 64.208 -4.634 1.00 3.42 C ATOM 0 H LEU A 815 -34.516 61.526 -6.747 1.00 22.10 H new ATOM 0 HA LEU A 815 -36.551 61.597 -4.784 1.00 13.01 H new ATOM 0 HB2 LEU A 815 -34.990 62.709 -3.544 1.00 51.23 H new ATOM 0 HB3 LEU A 815 -33.929 62.005 -4.748 1.00 51.23 H new ATOM 0 HG LEU A 815 -34.336 64.287 -6.013 1.00 4.13 H new ATOM 0 HD11 LEU A 815 -34.572 66.171 -4.443 1.00 34.33 H new ATOM 0 HD12 LEU A 815 -36.021 65.139 -4.459 1.00 34.33 H new ATOM 0 HD13 LEU A 815 -34.860 65.022 -3.115 1.00 34.33 H new ATOM 0 HD21 LEU A 815 -32.346 65.205 -4.883 1.00 3.42 H new ATOM 0 HD22 LEU A 815 -32.548 64.017 -3.573 1.00 3.42 H new ATOM 0 HD23 LEU A 815 -32.170 63.466 -5.222 1.00 3.42 H new ATOM 1118 N ASN A 816 -36.475 64.070 -6.932 1.00 3.03 N ATOM 1119 CA ASN A 816 -37.213 65.229 -7.420 1.00 73.21 C ATOM 1120 C ASN A 816 -38.615 64.830 -7.872 1.00 22.41 C ATOM 1121 O ASN A 816 -39.612 65.316 -7.339 1.00 62.20 O ATOM 1122 CB ASN A 816 -36.461 65.889 -8.577 1.00 61.23 C ATOM 1123 CG ASN A 816 -35.390 66.849 -8.098 1.00 2.24 C ATOM 1124 OD1 ASN A 816 -34.665 66.562 -7.145 1.00 2.42 O ATOM 1125 ND2 ASN A 816 -35.286 67.997 -8.757 1.00 60.15 N ATOM 0 H ASN A 816 -35.702 63.779 -7.531 1.00 3.03 H new ATOM 0 HA ASN A 816 -37.303 65.942 -6.601 1.00 73.21 H new ATOM 0 HB2 ASN A 816 -36.003 65.118 -9.196 1.00 61.23 H new ATOM 0 HB3 ASN A 816 -37.170 66.425 -9.208 1.00 61.23 H new ATOM 0 HD21 ASN A 816 -34.584 68.683 -8.479 1.00 60.15 H new ATOM 0 HD22 ASN A 816 -35.908 68.193 -9.541 1.00 60.15 H new ATOM 1132 N ALA A 817 -38.682 63.941 -8.858 1.00 30.34 N ATOM 1133 CA ALA A 817 -39.960 63.474 -9.379 1.00 75.14 C ATOM 1134 C ALA A 817 -40.867 62.984 -8.255 1.00 3.31 C ATOM 1135 O ALA A 817 -42.067 63.258 -8.247 1.00 34.13 O ATOM 1136 CB ALA A 817 -39.741 62.369 -10.402 1.00 73.02 C ATOM 0 H ALA A 817 -37.866 63.530 -9.312 1.00 30.34 H new ATOM 0 HA ALA A 817 -40.453 64.315 -9.867 1.00 75.14 H new ATOM 0 HB1 ALA A 817 -40.704 62.030 -10.783 1.00 73.02 H new ATOM 0 HB2 ALA A 817 -39.139 62.751 -11.227 1.00 73.02 H new ATOM 0 HB3 ALA A 817 -39.223 61.534 -9.930 1.00 73.02 H new ATOM 1142 N THR A 818 -40.285 62.258 -7.306 1.00 23.41 N ATOM 1143 CA THR A 818 -41.040 61.728 -6.177 1.00 41.25 C ATOM 1144 C THR A 818 -41.580 62.853 -5.301 1.00 73.45 C ATOM 1145 O THR A 818 -42.722 62.803 -4.846 1.00 33.23 O ATOM 1146 CB THR A 818 -40.176 60.790 -5.314 1.00 21.02 C ATOM 1147 OG1 THR A 818 -39.734 59.674 -6.094 1.00 74.44 O ATOM 1148 CG2 THR A 818 -40.957 60.294 -4.106 1.00 61.23 C ATOM 0 H THR A 818 -39.292 62.023 -7.297 1.00 23.41 H new ATOM 0 HA THR A 818 -41.874 61.162 -6.592 1.00 41.25 H new ATOM 0 HB THR A 818 -39.310 61.351 -4.962 1.00 21.02 H new ATOM 0 HG1 THR A 818 -39.025 59.963 -6.706 1.00 74.44 H new ATOM 0 HG21 THR A 818 -40.326 59.633 -3.511 1.00 61.23 H new ATOM 0 HG22 THR A 818 -41.266 61.144 -3.498 1.00 61.23 H new ATOM 0 HG23 THR A 818 -41.839 59.749 -4.442 1.00 61.23 H new ATOM 1156 N ALA A 819 -40.753 63.866 -5.070 1.00 45.33 N ATOM 1157 CA ALA A 819 -41.149 65.005 -4.251 1.00 30.31 C ATOM 1158 C ALA A 819 -42.314 65.758 -4.884 1.00 71.31 C ATOM 1159 O ALA A 819 -43.237 66.187 -4.192 1.00 35.23 O ATOM 1160 CB ALA A 819 -39.967 65.939 -4.038 1.00 52.14 C ATOM 0 H ALA A 819 -39.804 63.922 -5.439 1.00 45.33 H new ATOM 0 HA ALA A 819 -41.478 64.627 -3.283 1.00 30.31 H new ATOM 0 HB1 ALA A 819 -40.278 66.785 -3.425 1.00 52.14 H new ATOM 0 HB2 ALA A 819 -39.164 65.401 -3.534 1.00 52.14 H new ATOM 0 HB3 ALA A 819 -39.611 66.301 -5.002 1.00 52.14 H new ATOM 1166 N ILE A 820 -42.264 65.915 -6.203 1.00 10.05 N ATOM 1167 CA ILE A 820 -43.316 66.616 -6.928 1.00 41.12 C ATOM 1168 C ILE A 820 -44.622 65.830 -6.898 1.00 72.03 C ATOM 1169 O ILE A 820 -45.704 66.407 -6.792 1.00 43.53 O ATOM 1170 CB ILE A 820 -42.916 66.870 -8.394 1.00 20.04 C ATOM 1171 CG1 ILE A 820 -41.622 67.684 -8.458 1.00 53.42 C ATOM 1172 CG2 ILE A 820 -44.037 67.586 -9.132 1.00 43.30 C ATOM 1173 CD1 ILE A 820 -41.686 68.983 -7.685 1.00 75.02 C ATOM 0 H ILE A 820 -41.507 65.566 -6.791 1.00 10.05 H new ATOM 0 HA ILE A 820 -43.460 67.574 -6.428 1.00 41.12 H new ATOM 0 HB ILE A 820 -42.743 65.910 -8.880 1.00 20.04 H new ATOM 0 HG12 ILE A 820 -40.802 67.079 -8.069 1.00 53.42 H new ATOM 0 HG13 ILE A 820 -41.391 67.902 -9.501 1.00 53.42 H new ATOM 0 HG21 ILE A 820 -43.740 67.758 -10.166 1.00 43.30 H new ATOM 0 HG22 ILE A 820 -44.937 66.972 -9.111 1.00 43.30 H new ATOM 0 HG23 ILE A 820 -44.239 68.542 -8.648 1.00 43.30 H new ATOM 0 HD11 ILE A 820 -40.735 69.507 -7.775 1.00 75.02 H new ATOM 0 HD12 ILE A 820 -42.484 69.607 -8.088 1.00 75.02 H new ATOM 0 HD13 ILE A 820 -41.886 68.772 -6.635 1.00 75.02 H new ATOM 1185 N ALA A 821 -44.513 64.509 -6.991 1.00 35.31 N ATOM 1186 CA ALA A 821 -45.686 63.642 -6.971 1.00 4.45 C ATOM 1187 C ALA A 821 -46.247 63.512 -5.559 1.00 31.42 C ATOM 1188 O ALA A 821 -47.441 63.276 -5.374 1.00 53.22 O ATOM 1189 CB ALA A 821 -45.338 62.271 -7.532 1.00 15.52 C ATOM 0 H ALA A 821 -43.625 64.015 -7.081 1.00 35.31 H new ATOM 0 HA ALA A 821 -46.454 64.095 -7.599 1.00 4.45 H new ATOM 0 HB1 ALA A 821 -46.222 61.634 -7.511 1.00 15.52 H new ATOM 0 HB2 ALA A 821 -44.991 62.376 -8.560 1.00 15.52 H new ATOM 0 HB3 ALA A 821 -44.551 61.819 -6.927 1.00 15.52 H new ATOM 1195 N VAL A 822 -45.378 63.665 -4.565 1.00 31.03 N ATOM 1196 CA VAL A 822 -45.788 63.564 -3.169 1.00 3.30 C ATOM 1197 C VAL A 822 -46.291 64.905 -2.646 1.00 33.21 C ATOM 1198 O VAL A 822 -47.096 64.957 -1.716 1.00 51.24 O ATOM 1199 CB VAL A 822 -44.629 63.081 -2.277 1.00 65.54 C ATOM 1200 CG1 VAL A 822 -45.020 63.148 -0.809 1.00 42.41 C ATOM 1201 CG2 VAL A 822 -44.214 61.668 -2.663 1.00 13.44 C ATOM 0 H VAL A 822 -44.386 63.859 -4.700 1.00 31.03 H new ATOM 0 HA VAL A 822 -46.597 62.834 -3.129 1.00 3.30 H new ATOM 0 HB VAL A 822 -43.776 63.742 -2.431 1.00 65.54 H new ATOM 0 HG11 VAL A 822 -44.188 62.803 -0.195 1.00 42.41 H new ATOM 0 HG12 VAL A 822 -45.264 64.177 -0.544 1.00 42.41 H new ATOM 0 HG13 VAL A 822 -45.888 62.513 -0.634 1.00 42.41 H new ATOM 0 HG21 VAL A 822 -43.394 61.342 -2.023 1.00 13.44 H new ATOM 0 HG22 VAL A 822 -45.061 60.993 -2.539 1.00 13.44 H new ATOM 0 HG23 VAL A 822 -43.889 61.656 -3.703 1.00 13.44 H new ATOM 1211 N ALA A 823 -45.812 65.987 -3.250 1.00 52.21 N ATOM 1212 CA ALA A 823 -46.216 67.329 -2.847 1.00 63.41 C ATOM 1213 C ALA A 823 -47.638 67.635 -3.305 1.00 44.03 C ATOM 1214 O ALA A 823 -48.324 68.466 -2.712 1.00 53.35 O ATOM 1215 CB ALA A 823 -45.246 68.361 -3.403 1.00 60.11 C ATOM 0 H ALA A 823 -45.144 65.961 -4.020 1.00 52.21 H new ATOM 0 HA ALA A 823 -46.195 67.377 -1.758 1.00 63.41 H new ATOM 0 HB1 ALA A 823 -45.560 69.358 -3.095 1.00 60.11 H new ATOM 0 HB2 ALA A 823 -44.244 68.161 -3.022 1.00 60.11 H new ATOM 0 HB3 ALA A 823 -45.238 68.304 -4.491 1.00 60.11 H new ATOM 1243 N THR A 826 -51.700 65.987 -0.779 1.00 44.24 N ATOM 1244 CA THR A 826 -51.953 66.385 0.600 1.00 41.25 C ATOM 1245 C THR A 826 -53.010 65.495 1.243 1.00 10.33 C ATOM 1246 O THR A 826 -53.136 65.451 2.467 1.00 14.21 O ATOM 1247 CB THR A 826 -52.412 67.853 0.685 1.00 32.13 C ATOM 1248 OG1 THR A 826 -51.584 68.675 -0.144 1.00 65.12 O ATOM 1249 CG2 THR A 826 -52.358 68.354 2.121 1.00 44.14 C ATOM 0 HA THR A 826 -51.012 66.275 1.140 1.00 41.25 H new ATOM 0 HB THR A 826 -53.443 67.909 0.335 1.00 32.13 H new ATOM 0 HG1 THR A 826 -51.131 68.117 -0.810 1.00 65.12 H new ATOM 0 HG21 THR A 826 -52.686 69.393 2.157 1.00 44.14 H new ATOM 0 HG22 THR A 826 -53.013 67.745 2.744 1.00 44.14 H new ATOM 0 HG23 THR A 826 -51.336 68.284 2.493 1.00 44.14 H new ATOM 1257 N ASP A 827 -53.767 64.787 0.412 1.00 45.41 N ATOM 1258 CA ASP A 827 -54.812 63.896 0.901 1.00 54.43 C ATOM 1259 C ASP A 827 -54.258 62.924 1.937 1.00 5.21 C ATOM 1260 O ASP A 827 -54.897 62.654 2.954 1.00 61.32 O ATOM 1261 CB ASP A 827 -55.436 63.122 -0.261 1.00 71.52 C ATOM 1262 CG ASP A 827 -56.512 63.916 -0.975 1.00 60.34 C ATOM 1263 OD1 ASP A 827 -56.513 63.924 -2.224 1.00 50.34 O ATOM 1264 OD2 ASP A 827 -57.353 64.528 -0.285 1.00 74.15 O ATOM 0 H ASP A 827 -53.676 64.813 -0.604 1.00 45.41 H new ATOM 0 HA ASP A 827 -55.581 64.505 1.377 1.00 54.43 H new ATOM 0 HB2 ASP A 827 -54.656 62.850 -0.973 1.00 71.52 H new ATOM 0 HB3 ASP A 827 -55.863 62.192 0.114 1.00 71.52 H new ATOM 1269 N ARG A 828 -53.065 62.401 1.672 1.00 41.35 N ATOM 1270 CA ARG A 828 -52.425 61.457 2.580 1.00 52.31 C ATOM 1271 C ARG A 828 -52.186 62.094 3.946 1.00 73.01 C ATOM 1272 O ARG A 828 -52.569 61.540 4.976 1.00 23.45 O ATOM 1273 CB ARG A 828 -51.099 60.971 1.993 1.00 2.00 C ATOM 1274 CG ARG A 828 -51.242 59.764 1.081 1.00 35.30 C ATOM 1275 CD ARG A 828 -51.493 58.492 1.876 1.00 63.30 C ATOM 1276 NE ARG A 828 -51.656 57.328 1.009 1.00 22.32 N ATOM 1277 CZ ARG A 828 -52.245 56.201 1.395 1.00 45.03 C ATOM 1278 NH1 ARG A 828 -52.724 56.087 2.626 1.00 40.24 N ATOM 1279 NH2 ARG A 828 -52.355 55.185 0.548 1.00 51.41 N ATOM 0 H ARG A 828 -52.522 62.615 0.835 1.00 41.35 H new ATOM 0 HA ARG A 828 -53.092 60.604 2.707 1.00 52.31 H new ATOM 0 HB2 ARG A 828 -50.639 61.786 1.434 1.00 2.00 H new ATOM 0 HB3 ARG A 828 -50.420 60.721 2.809 1.00 2.00 H new ATOM 0 HG2 ARG A 828 -52.065 59.928 0.385 1.00 35.30 H new ATOM 0 HG3 ARG A 828 -50.338 59.649 0.484 1.00 35.30 H new ATOM 0 HD2 ARG A 828 -50.661 58.321 2.559 1.00 63.30 H new ATOM 0 HD3 ARG A 828 -52.387 58.617 2.487 1.00 63.30 H new ATOM 0 HE ARG A 828 -51.298 57.383 0.055 1.00 22.32 H new ATOM 0 HH11 ARG A 828 -52.641 56.866 3.280 1.00 40.24 H new ATOM 0 HH12 ARG A 828 -53.176 55.221 2.919 1.00 40.24 H new ATOM 0 HH21 ARG A 828 -51.987 55.269 -0.400 1.00 51.41 H new ATOM 0 HH22 ARG A 828 -52.807 54.320 0.845 1.00 51.41 H new ATOM 1293 N VAL A 829 -51.551 63.262 3.946 1.00 62.41 N ATOM 1294 CA VAL A 829 -51.261 63.974 5.184 1.00 12.35 C ATOM 1295 C VAL A 829 -52.533 64.220 5.988 1.00 75.23 C ATOM 1296 O VAL A 829 -52.639 63.808 7.144 1.00 42.54 O ATOM 1297 CB VAL A 829 -50.574 65.324 4.907 1.00 5.45 C ATOM 1298 CG1 VAL A 829 -50.210 66.016 6.212 1.00 2.23 C ATOM 1299 CG2 VAL A 829 -49.341 65.126 4.038 1.00 31.42 C ATOM 0 H VAL A 829 -51.228 63.735 3.102 1.00 62.41 H new ATOM 0 HA VAL A 829 -50.586 63.342 5.761 1.00 12.35 H new ATOM 0 HB VAL A 829 -51.273 65.963 4.367 1.00 5.45 H new ATOM 0 HG11 VAL A 829 -49.726 66.968 5.996 1.00 2.23 H new ATOM 0 HG12 VAL A 829 -51.114 66.193 6.795 1.00 2.23 H new ATOM 0 HG13 VAL A 829 -49.529 65.384 6.782 1.00 2.23 H new ATOM 0 HG21 VAL A 829 -48.868 66.090 3.852 1.00 31.42 H new ATOM 0 HG22 VAL A 829 -48.637 64.469 4.549 1.00 31.42 H new ATOM 0 HG23 VAL A 829 -49.633 64.676 3.089 1.00 31.42 H new ATOM 1309 N ILE A 830 -53.497 64.892 5.368 1.00 75.13 N ATOM 1310 CA ILE A 830 -54.764 65.191 6.025 1.00 61.33 C ATOM 1311 C ILE A 830 -55.486 63.912 6.433 1.00 35.52 C ATOM 1312 O ILE A 830 -56.211 63.888 7.427 1.00 34.51 O ATOM 1313 CB ILE A 830 -55.688 66.021 5.114 1.00 32.24 C ATOM 1314 CG1 ILE A 830 -56.851 66.599 5.923 1.00 12.11 C ATOM 1315 CG2 ILE A 830 -56.207 65.167 3.967 1.00 43.44 C ATOM 1316 CD1 ILE A 830 -58.077 65.713 5.937 1.00 52.11 C ATOM 0 H ILE A 830 -53.425 65.240 4.412 1.00 75.13 H new ATOM 0 HA ILE A 830 -54.528 65.773 6.916 1.00 61.33 H new ATOM 0 HB ILE A 830 -55.114 66.848 4.695 1.00 32.24 H new ATOM 0 HG12 ILE A 830 -56.522 66.766 6.949 1.00 12.11 H new ATOM 0 HG13 ILE A 830 -57.121 67.572 5.512 1.00 12.11 H new ATOM 0 HG21 ILE A 830 -56.858 65.767 3.332 1.00 43.44 H new ATOM 0 HG22 ILE A 830 -55.367 64.798 3.379 1.00 43.44 H new ATOM 0 HG23 ILE A 830 -56.768 64.323 4.367 1.00 43.44 H new ATOM 0 HD11 ILE A 830 -58.861 66.186 6.529 1.00 52.11 H new ATOM 0 HD12 ILE A 830 -58.431 65.566 4.917 1.00 52.11 H new ATOM 0 HD13 ILE A 830 -57.823 64.748 6.375 1.00 52.11 H new ATOM 1328 N GLU A 831 -55.282 62.850 5.660 1.00 64.21 N ATOM 1329 CA GLU A 831 -55.913 61.566 5.943 1.00 54.43 C ATOM 1330 C GLU A 831 -55.456 61.021 7.292 1.00 33.35 C ATOM 1331 O GLU A 831 -56.257 60.860 8.213 1.00 35.03 O ATOM 1332 CB GLU A 831 -55.590 60.559 4.837 1.00 12.11 C ATOM 1333 CG GLU A 831 -56.667 60.461 3.770 1.00 60.34 C ATOM 1334 CD GLU A 831 -56.310 59.480 2.670 1.00 71.14 C ATOM 1335 OE1 GLU A 831 -56.987 59.494 1.620 1.00 34.03 O ATOM 1336 OE2 GLU A 831 -55.354 58.699 2.858 1.00 75.53 O ATOM 0 H GLU A 831 -54.685 62.853 4.833 1.00 64.21 H new ATOM 0 HA GLU A 831 -56.991 61.720 5.980 1.00 54.43 H new ATOM 0 HB2 GLU A 831 -54.648 60.839 4.366 1.00 12.11 H new ATOM 0 HB3 GLU A 831 -55.443 59.576 5.284 1.00 12.11 H new ATOM 0 HG2 GLU A 831 -57.605 60.156 4.233 1.00 60.34 H new ATOM 0 HG3 GLU A 831 -56.832 61.446 3.334 1.00 60.34 H new ATOM 1343 N VAL A 832 -54.162 60.737 7.402 1.00 73.31 N ATOM 1344 CA VAL A 832 -53.597 60.210 8.638 1.00 33.53 C ATOM 1345 C VAL A 832 -53.825 61.170 9.800 1.00 43.20 C ATOM 1346 O VAL A 832 -54.048 60.747 10.935 1.00 12.51 O ATOM 1347 CB VAL A 832 -52.087 59.942 8.496 1.00 71.11 C ATOM 1348 CG1 VAL A 832 -51.834 58.833 7.486 1.00 31.22 C ATOM 1349 CG2 VAL A 832 -51.356 61.215 8.096 1.00 33.23 C ATOM 0 H VAL A 832 -53.485 60.863 6.649 1.00 73.31 H new ATOM 0 HA VAL A 832 -54.107 59.269 8.843 1.00 33.53 H new ATOM 0 HB VAL A 832 -51.701 59.616 9.462 1.00 71.11 H new ATOM 0 HG11 VAL A 832 -50.762 58.658 7.399 1.00 31.22 H new ATOM 0 HG12 VAL A 832 -52.325 57.919 7.819 1.00 31.22 H new ATOM 0 HG13 VAL A 832 -52.233 59.127 6.515 1.00 31.22 H new ATOM 0 HG21 VAL A 832 -50.290 61.008 8.000 1.00 33.23 H new ATOM 0 HG22 VAL A 832 -51.743 61.573 7.142 1.00 33.23 H new ATOM 0 HG23 VAL A 832 -51.510 61.978 8.859 1.00 33.23 H new ATOM 1359 N LEU A 833 -53.767 62.465 9.509 1.00 2.24 N ATOM 1360 CA LEU A 833 -53.967 63.488 10.530 1.00 12.10 C ATOM 1361 C LEU A 833 -55.371 63.401 11.119 1.00 14.45 C ATOM 1362 O LEU A 833 -55.538 63.181 12.319 1.00 52.43 O ATOM 1363 CB LEU A 833 -53.735 64.879 9.938 1.00 11.42 C ATOM 1364 CG LEU A 833 -53.510 66.008 10.945 1.00 21.00 C ATOM 1365 CD1 LEU A 833 -52.332 65.687 11.852 1.00 11.00 C ATOM 1366 CD2 LEU A 833 -53.286 67.329 10.224 1.00 45.11 C ATOM 0 H LEU A 833 -53.583 62.832 8.575 1.00 2.24 H new ATOM 0 HA LEU A 833 -53.246 63.315 11.329 1.00 12.10 H new ATOM 0 HB2 LEU A 833 -52.870 64.831 9.277 1.00 11.42 H new ATOM 0 HB3 LEU A 833 -54.595 65.137 9.319 1.00 11.42 H new ATOM 0 HG LEU A 833 -54.403 66.101 11.563 1.00 21.00 H new ATOM 0 HD11 LEU A 833 -52.187 66.501 12.562 1.00 11.00 H new ATOM 0 HD12 LEU A 833 -52.532 64.763 12.395 1.00 11.00 H new ATOM 0 HD13 LEU A 833 -51.432 65.566 11.250 1.00 11.00 H new ATOM 0 HD21 LEU A 833 -53.128 68.121 10.956 1.00 45.11 H new ATOM 0 HD22 LEU A 833 -52.409 67.249 9.581 1.00 45.11 H new ATOM 0 HD23 LEU A 833 -54.160 67.565 9.617 1.00 45.11 H new ATOM 1378 N GLN A 834 -56.377 63.574 10.268 1.00 62.14 N ATOM 1379 CA GLN A 834 -57.767 63.514 10.705 1.00 64.44 C ATOM 1380 C GLN A 834 -58.092 62.146 11.297 1.00 52.33 C ATOM 1381 O GLN A 834 -58.886 62.037 12.230 1.00 33.44 O ATOM 1382 CB GLN A 834 -58.705 63.812 9.534 1.00 1.10 C ATOM 1383 CG GLN A 834 -58.827 62.665 8.544 1.00 22.22 C ATOM 1384 CD GLN A 834 -59.842 62.941 7.453 1.00 43.35 C ATOM 1385 OE1 GLN A 834 -60.241 64.086 7.236 1.00 75.41 O ATOM 1386 NE2 GLN A 834 -60.265 61.892 6.757 1.00 24.14 N ATOM 0 H GLN A 834 -56.256 63.757 9.272 1.00 62.14 H new ATOM 0 HA GLN A 834 -57.912 64.268 11.478 1.00 64.44 H new ATOM 0 HB2 GLN A 834 -59.694 64.051 9.924 1.00 1.10 H new ATOM 0 HB3 GLN A 834 -58.347 64.697 9.009 1.00 1.10 H new ATOM 0 HG2 GLN A 834 -57.854 62.477 8.090 1.00 22.22 H new ATOM 0 HG3 GLN A 834 -59.111 61.758 9.078 1.00 22.22 H new ATOM 0 HE21 GLN A 834 -59.908 60.961 6.970 1.00 24.14 H new ATOM 0 HE22 GLN A 834 -60.947 62.018 6.009 1.00 24.14 H new ATOM 1395 N ALA A 835 -57.474 61.106 10.747 1.00 44.41 N ATOM 1396 CA ALA A 835 -57.696 59.746 11.222 1.00 55.52 C ATOM 1397 C ALA A 835 -57.147 59.561 12.632 1.00 32.51 C ATOM 1398 O ALA A 835 -57.858 59.114 13.531 1.00 34.54 O ATOM 1399 CB ALA A 835 -57.061 58.744 10.269 1.00 13.15 C ATOM 0 H ALA A 835 -56.815 61.180 9.972 1.00 44.41 H new ATOM 0 HA ALA A 835 -58.771 59.569 11.253 1.00 55.52 H new ATOM 0 HB1 ALA A 835 -57.235 57.732 10.636 1.00 13.15 H new ATOM 0 HB2 ALA A 835 -57.504 58.852 9.279 1.00 13.15 H new ATOM 0 HB3 ALA A 835 -55.989 58.929 10.208 1.00 13.15 H new ATOM 1405 N ALA A 836 -55.877 59.906 12.818 1.00 73.21 N ATOM 1406 CA ALA A 836 -55.233 59.778 14.119 1.00 34.03 C ATOM 1407 C ALA A 836 -55.993 60.558 15.187 1.00 51.33 C ATOM 1408 O ALA A 836 -56.348 60.014 16.233 1.00 43.33 O ATOM 1409 CB ALA A 836 -53.790 60.253 14.043 1.00 61.32 C ATOM 0 H ALA A 836 -55.274 60.276 12.084 1.00 73.21 H new ATOM 0 HA ALA A 836 -55.243 58.725 14.399 1.00 34.03 H new ATOM 0 HB1 ALA A 836 -53.322 60.152 15.022 1.00 61.32 H new ATOM 0 HB2 ALA A 836 -53.246 59.650 13.316 1.00 61.32 H new ATOM 0 HB3 ALA A 836 -53.767 61.299 13.736 1.00 61.32 H new ATOM 1415 N TYR A 837 -56.239 61.835 14.916 1.00 12.33 N ATOM 1416 CA TYR A 837 -56.954 62.691 15.855 1.00 12.43 C ATOM 1417 C TYR A 837 -58.354 62.150 16.129 1.00 52.13 C ATOM 1418 O TYR A 837 -58.830 62.174 17.264 1.00 72.42 O ATOM 1419 CB TYR A 837 -57.044 64.118 15.311 1.00 73.14 C ATOM 1420 CG TYR A 837 -57.680 65.095 16.274 1.00 62.11 C ATOM 1421 CD1 TYR A 837 -58.534 66.092 15.820 1.00 13.04 C ATOM 1422 CD2 TYR A 837 -57.426 65.020 17.638 1.00 32.11 C ATOM 1423 CE1 TYR A 837 -59.116 66.987 16.697 1.00 54.11 C ATOM 1424 CE2 TYR A 837 -58.005 65.910 18.522 1.00 31.21 C ATOM 1425 CZ TYR A 837 -58.849 66.892 18.047 1.00 61.23 C ATOM 1426 OH TYR A 837 -59.428 67.781 18.923 1.00 21.32 O ATOM 0 H TYR A 837 -55.954 62.300 14.054 1.00 12.33 H new ATOM 0 HA TYR A 837 -56.398 62.701 16.793 1.00 12.43 H new ATOM 0 HB2 TYR A 837 -56.042 64.467 15.062 1.00 73.14 H new ATOM 0 HB3 TYR A 837 -57.618 64.109 14.384 1.00 73.14 H new ATOM 0 HD1 TYR A 837 -58.747 66.169 14.764 1.00 13.04 H new ATOM 0 HD2 TYR A 837 -56.765 64.253 18.014 1.00 32.11 H new ATOM 0 HE1 TYR A 837 -59.777 67.757 16.327 1.00 54.11 H new ATOM 0 HE2 TYR A 837 -57.798 65.837 19.579 1.00 31.21 H new ATOM 0 HH TYR A 837 -59.138 67.576 19.836 1.00 21.32 H new ATOM 1436 N ARG A 838 -59.008 61.662 15.080 1.00 50.14 N ATOM 1437 CA ARG A 838 -60.354 61.115 15.205 1.00 64.01 C ATOM 1438 C ARG A 838 -60.385 59.976 16.220 1.00 11.31 C ATOM 1439 O ARG A 838 -61.224 59.957 17.121 1.00 44.45 O ATOM 1440 CB ARG A 838 -60.853 60.616 13.848 1.00 43.35 C ATOM 1441 CG ARG A 838 -61.634 61.659 13.065 1.00 3.41 C ATOM 1442 CD ARG A 838 -62.043 61.138 11.697 1.00 73.14 C ATOM 1443 NE ARG A 838 -62.146 62.210 10.711 1.00 52.34 N ATOM 1444 CZ ARG A 838 -63.117 63.117 10.710 1.00 50.04 C ATOM 1445 NH1 ARG A 838 -64.063 63.081 11.638 1.00 50.31 N ATOM 1446 NH2 ARG A 838 -63.143 64.063 9.779 1.00 65.51 N ATOM 0 H ARG A 838 -58.628 61.634 14.134 1.00 50.14 H new ATOM 0 HA ARG A 838 -61.011 61.910 15.556 1.00 64.01 H new ATOM 0 HB2 ARG A 838 -59.999 60.292 13.253 1.00 43.35 H new ATOM 0 HB3 ARG A 838 -61.485 59.741 14.002 1.00 43.35 H new ATOM 0 HG2 ARG A 838 -62.523 61.947 13.627 1.00 3.41 H new ATOM 0 HG3 ARG A 838 -61.027 62.557 12.947 1.00 3.41 H new ATOM 0 HD2 ARG A 838 -61.315 60.402 11.357 1.00 73.14 H new ATOM 0 HD3 ARG A 838 -63.002 60.625 11.776 1.00 73.14 H new ATOM 0 HE ARG A 838 -61.434 62.266 9.983 1.00 52.34 H new ATOM 0 HH11 ARG A 838 -64.047 62.356 12.355 1.00 50.31 H new ATOM 0 HH12 ARG A 838 -64.807 63.779 11.635 1.00 50.31 H new ATOM 0 HH21 ARG A 838 -62.417 64.094 9.063 1.00 65.51 H new ATOM 0 HH22 ARG A 838 -63.889 64.759 9.779 1.00 65.51 H new ATOM 1460 N ALA A 839 -59.466 59.029 16.067 1.00 21.43 N ATOM 1461 CA ALA A 839 -59.388 57.888 16.971 1.00 25.40 C ATOM 1462 C ALA A 839 -59.051 58.333 18.390 1.00 44.31 C ATOM 1463 O ALA A 839 -59.634 57.845 19.359 1.00 44.44 O ATOM 1464 CB ALA A 839 -58.355 56.888 16.471 1.00 74.14 C ATOM 0 H ALA A 839 -58.765 59.029 15.326 1.00 21.43 H new ATOM 0 HA ALA A 839 -60.365 57.406 16.992 1.00 25.40 H new ATOM 0 HB1 ALA A 839 -58.307 56.041 17.156 1.00 74.14 H new ATOM 0 HB2 ALA A 839 -58.639 56.537 15.479 1.00 74.14 H new ATOM 0 HB3 ALA A 839 -57.378 57.369 16.420 1.00 74.14 H new ATOM 1470 N ILE A 840 -58.107 59.261 18.505 1.00 2.41 N ATOM 1471 CA ILE A 840 -57.693 59.772 19.806 1.00 13.31 C ATOM 1472 C ILE A 840 -58.836 60.510 20.496 1.00 71.24 C ATOM 1473 O ILE A 840 -58.989 60.438 21.715 1.00 24.31 O ATOM 1474 CB ILE A 840 -56.487 60.721 19.681 1.00 44.13 C ATOM 1475 CG1 ILE A 840 -55.254 59.953 19.199 1.00 20.13 C ATOM 1476 CG2 ILE A 840 -56.207 61.401 21.013 1.00 42.14 C ATOM 1477 CD1 ILE A 840 -54.763 58.918 20.187 1.00 33.31 C ATOM 0 H ILE A 840 -57.614 59.674 17.713 1.00 2.41 H new ATOM 0 HA ILE A 840 -57.405 58.909 20.406 1.00 13.31 H new ATOM 0 HB ILE A 840 -56.723 61.490 18.946 1.00 44.13 H new ATOM 0 HG12 ILE A 840 -55.489 59.460 18.255 1.00 20.13 H new ATOM 0 HG13 ILE A 840 -54.450 60.661 18.998 1.00 20.13 H new ATOM 0 HG21 ILE A 840 -55.352 62.068 20.908 1.00 42.14 H new ATOM 0 HG22 ILE A 840 -57.081 61.976 21.319 1.00 42.14 H new ATOM 0 HG23 ILE A 840 -55.987 60.646 21.768 1.00 42.14 H new ATOM 0 HD11 ILE A 840 -53.887 58.413 19.780 1.00 33.31 H new ATOM 0 HD12 ILE A 840 -54.497 59.407 21.124 1.00 33.31 H new ATOM 0 HD13 ILE A 840 -55.551 58.187 20.370 1.00 33.31 H new ATOM 1489 N ARG A 841 -59.638 61.218 19.706 1.00 23.54 N ATOM 1490 CA ARG A 841 -60.768 61.968 20.241 1.00 43.03 C ATOM 1491 C ARG A 841 -61.876 61.027 20.702 1.00 33.52 C ATOM 1492 O ARG A 841 -62.480 61.230 21.756 1.00 2.51 O ATOM 1493 CB ARG A 841 -61.310 62.934 19.186 1.00 74.23 C ATOM 1494 CG ARG A 841 -62.209 64.018 19.758 1.00 43.45 C ATOM 1495 CD ARG A 841 -61.397 65.168 20.334 1.00 64.15 C ATOM 1496 NE ARG A 841 -62.231 66.325 20.647 1.00 72.41 N ATOM 1497 CZ ARG A 841 -63.096 66.356 21.655 1.00 25.42 C ATOM 1498 NH1 ARG A 841 -63.238 65.299 22.444 1.00 45.23 N ATOM 1499 NH2 ARG A 841 -63.820 67.445 21.877 1.00 44.33 N ATOM 0 H ARG A 841 -59.526 61.288 18.695 1.00 23.54 H new ATOM 0 HA ARG A 841 -60.419 62.538 21.102 1.00 43.03 H new ATOM 0 HB2 ARG A 841 -60.472 63.403 18.670 1.00 74.23 H new ATOM 0 HB3 ARG A 841 -61.867 62.368 18.439 1.00 74.23 H new ATOM 0 HG2 ARG A 841 -62.870 64.393 18.977 1.00 43.45 H new ATOM 0 HG3 ARG A 841 -62.843 63.593 20.536 1.00 43.45 H new ATOM 0 HD2 ARG A 841 -60.887 64.834 21.237 1.00 64.15 H new ATOM 0 HD3 ARG A 841 -60.626 65.460 19.621 1.00 64.15 H new ATOM 0 HE ARG A 841 -62.145 67.155 20.060 1.00 72.41 H new ATOM 0 HH11 ARG A 841 -62.682 64.460 22.277 1.00 45.23 H new ATOM 0 HH12 ARG A 841 -63.903 65.325 23.217 1.00 45.23 H new ATOM 0 HH21 ARG A 841 -63.713 68.260 21.273 1.00 44.33 H new ATOM 0 HH22 ARG A 841 -64.484 67.467 22.651 1.00 44.33 H new ATOM 1513 N HIS A 842 -62.139 59.995 19.906 1.00 55.22 N ATOM 1514 CA HIS A 842 -63.176 59.022 20.233 1.00 65.15 C ATOM 1515 C HIS A 842 -62.749 58.148 21.408 1.00 2.23 C ATOM 1516 O HIS A 842 -63.583 57.703 22.198 1.00 45.51 O ATOM 1517 CB HIS A 842 -63.484 58.147 19.017 1.00 32.24 C ATOM 1518 CG HIS A 842 -63.849 58.929 17.793 1.00 21.22 C ATOM 1519 ND1 HIS A 842 -64.239 60.251 17.833 1.00 34.31 N ATOM 1520 CD2 HIS A 842 -63.879 58.568 16.489 1.00 50.42 C ATOM 1521 CE1 HIS A 842 -64.496 60.669 16.607 1.00 63.04 C ATOM 1522 NE2 HIS A 842 -64.284 59.667 15.772 1.00 52.30 N ATOM 0 H HIS A 842 -61.649 59.811 19.031 1.00 55.22 H new ATOM 0 HA HIS A 842 -64.076 59.567 20.517 1.00 65.15 H new ATOM 0 HB2 HIS A 842 -62.615 57.527 18.796 1.00 32.24 H new ATOM 0 HB3 HIS A 842 -64.303 57.471 19.264 1.00 32.24 H new ATOM 0 HD2 HIS A 842 -63.631 57.597 16.087 1.00 50.42 H new ATOM 0 HE1 HIS A 842 -64.824 61.661 16.333 1.00 63.04 H new ATOM 0 HE2 HIS A 842 -64.402 59.704 14.760 1.00 52.30 H new ATOM 1630 N ARG A 848 -54.570 55.796 29.559 1.00 42.34 N ATOM 1631 CA ARG A 848 -53.602 55.434 28.530 1.00 3.43 C ATOM 1632 C ARG A 848 -52.564 56.538 28.348 1.00 51.30 C ATOM 1633 O ARG A 848 -51.438 56.280 27.923 1.00 14.12 O ATOM 1634 CB ARG A 848 -54.313 55.164 27.203 1.00 23.21 C ATOM 1635 CG ARG A 848 -53.518 54.280 26.256 1.00 71.22 C ATOM 1636 CD ARG A 848 -54.011 54.414 24.823 1.00 31.25 C ATOM 1637 NE ARG A 848 -55.290 53.740 24.620 1.00 75.53 N ATOM 1638 CZ ARG A 848 -56.007 53.843 23.506 1.00 45.14 C ATOM 1639 NH1 ARG A 848 -55.570 54.589 22.500 1.00 14.43 N ATOM 1640 NH2 ARG A 848 -57.161 53.199 23.395 1.00 33.15 N ATOM 0 HA ARG A 848 -53.090 54.527 28.851 1.00 3.43 H new ATOM 0 HB2 ARG A 848 -55.275 54.693 27.405 1.00 23.21 H new ATOM 0 HB3 ARG A 848 -54.520 56.115 26.711 1.00 23.21 H new ATOM 0 HG2 ARG A 848 -52.463 54.548 26.306 1.00 71.22 H new ATOM 0 HG3 ARG A 848 -53.598 53.240 26.574 1.00 71.22 H new ATOM 0 HD2 ARG A 848 -54.114 55.470 24.572 1.00 31.25 H new ATOM 0 HD3 ARG A 848 -53.269 53.995 24.143 1.00 31.25 H new ATOM 0 HE ARG A 848 -55.653 53.158 25.375 1.00 75.53 H new ATOM 0 HH11 ARG A 848 -54.682 55.085 22.581 1.00 14.43 H new ATOM 0 HH12 ARG A 848 -56.122 54.667 21.646 1.00 14.43 H new ATOM 0 HH21 ARG A 848 -57.500 52.623 24.166 1.00 33.15 H new ATOM 0 HH22 ARG A 848 -57.710 53.280 22.539 1.00 33.15 H new ATOM 1654 N GLN A 849 -52.952 57.768 28.672 1.00 73.54 N ATOM 1655 CA GLN A 849 -52.056 58.910 28.542 1.00 3.10 C ATOM 1656 C GLN A 849 -50.813 58.728 29.408 1.00 54.13 C ATOM 1657 O GLN A 849 -49.733 59.210 29.070 1.00 61.34 O ATOM 1658 CB GLN A 849 -52.779 60.200 28.933 1.00 75.15 C ATOM 1659 CG GLN A 849 -52.105 61.458 28.409 1.00 14.15 C ATOM 1660 CD GLN A 849 -50.872 61.834 29.207 1.00 61.22 C ATOM 1661 OE1 GLN A 849 -50.689 61.383 30.338 1.00 64.12 O ATOM 1662 NE2 GLN A 849 -50.018 62.664 28.620 1.00 64.10 N ATOM 0 H GLN A 849 -53.880 57.998 29.026 1.00 73.54 H new ATOM 0 HA GLN A 849 -51.744 58.978 27.500 1.00 3.10 H new ATOM 0 HB2 GLN A 849 -53.801 60.162 28.557 1.00 75.15 H new ATOM 0 HB3 GLN A 849 -52.841 60.257 30.020 1.00 75.15 H new ATOM 0 HG2 GLN A 849 -51.827 61.309 27.366 1.00 14.15 H new ATOM 0 HG3 GLN A 849 -52.816 62.284 28.434 1.00 14.15 H new ATOM 0 HE21 GLN A 849 -50.210 63.013 27.681 1.00 64.10 H new ATOM 0 HE22 GLN A 849 -49.170 62.952 29.108 1.00 64.10 H new ATOM 1671 N GLY A 850 -50.975 58.030 30.527 1.00 32.55 N ATOM 1672 CA GLY A 850 -49.858 57.797 31.425 1.00 75.14 C ATOM 1673 C GLY A 850 -48.895 56.755 30.893 1.00 63.24 C ATOM 1674 O GLY A 850 -47.694 57.007 30.784 1.00 60.14 O ATOM 0 H GLY A 850 -51.860 57.621 30.828 1.00 32.55 H new ATOM 0 HA2 GLY A 850 -49.323 58.733 31.586 1.00 75.14 H new ATOM 0 HA3 GLY A 850 -50.237 57.476 32.395 1.00 75.14 H new ATOM 1678 N LEU A 851 -49.420 55.580 30.562 1.00 44.22 N ATOM 1679 CA LEU A 851 -48.597 54.494 30.040 1.00 51.55 C ATOM 1680 C LEU A 851 -47.936 54.896 28.725 1.00 3.10 C ATOM 1681 O LEU A 851 -46.840 54.436 28.405 1.00 11.52 O ATOM 1682 CB LEU A 851 -49.446 53.239 29.834 1.00 70.33 C ATOM 1683 CG LEU A 851 -50.720 53.418 29.007 1.00 63.33 C ATOM 1684 CD1 LEU A 851 -50.407 53.336 27.521 1.00 51.54 C ATOM 1685 CD2 LEU A 851 -51.758 52.374 29.393 1.00 4.12 C ATOM 0 H LEU A 851 -50.411 55.355 30.646 1.00 44.22 H new ATOM 0 HA LEU A 851 -47.815 54.281 30.769 1.00 51.55 H new ATOM 0 HB2 LEU A 851 -48.828 52.482 29.352 1.00 70.33 H new ATOM 0 HB3 LEU A 851 -49.724 52.848 30.813 1.00 70.33 H new ATOM 0 HG LEU A 851 -51.131 54.405 29.218 1.00 63.33 H new ATOM 0 HD11 LEU A 851 -51.325 53.466 26.948 1.00 51.54 H new ATOM 0 HD12 LEU A 851 -49.699 54.121 27.254 1.00 51.54 H new ATOM 0 HD13 LEU A 851 -49.972 52.363 27.294 1.00 51.54 H new ATOM 0 HD21 LEU A 851 -52.658 52.517 28.794 1.00 4.12 H new ATOM 0 HD22 LEU A 851 -51.356 51.377 29.212 1.00 4.12 H new ATOM 0 HD23 LEU A 851 -52.005 52.479 30.449 1.00 4.12 H new ATOM 1697 N GLU A 852 -48.609 55.758 27.969 1.00 63.01 N ATOM 1698 CA GLU A 852 -48.085 56.222 26.690 1.00 44.22 C ATOM 1699 C GLU A 852 -47.038 57.314 26.895 1.00 72.14 C ATOM 1700 O GLU A 852 -45.979 57.299 26.267 1.00 31.31 O ATOM 1701 CB GLU A 852 -49.220 56.748 25.809 1.00 61.43 C ATOM 1702 CG GLU A 852 -48.743 57.365 24.505 1.00 63.11 C ATOM 1703 CD GLU A 852 -48.127 56.345 23.567 1.00 21.43 C ATOM 1704 OE1 GLU A 852 -47.627 56.749 22.497 1.00 44.40 O ATOM 1705 OE2 GLU A 852 -48.145 55.142 23.903 1.00 14.12 O ATOM 0 H GLU A 852 -49.517 56.149 28.220 1.00 63.01 H new ATOM 0 HA GLU A 852 -47.611 55.376 26.192 1.00 44.22 H new ATOM 0 HB2 GLU A 852 -49.904 55.929 25.585 1.00 61.43 H new ATOM 0 HB3 GLU A 852 -49.787 57.493 26.368 1.00 61.43 H new ATOM 0 HG2 GLU A 852 -49.584 57.849 24.008 1.00 63.11 H new ATOM 0 HG3 GLU A 852 -48.010 58.142 24.722 1.00 63.11 H new ATOM 1712 N ARG A 853 -47.344 58.260 27.776 1.00 5.15 N ATOM 1713 CA ARG A 853 -46.431 59.361 28.063 1.00 31.50 C ATOM 1714 C ARG A 853 -45.096 58.838 28.585 1.00 31.14 C ATOM 1715 O ARG A 853 -44.032 59.293 28.164 1.00 55.31 O ATOM 1716 CB ARG A 853 -47.053 60.314 29.085 1.00 20.33 C ATOM 1717 CG ARG A 853 -46.183 61.519 29.402 1.00 0.01 C ATOM 1718 CD ARG A 853 -45.255 61.244 30.575 1.00 60.51 C ATOM 1719 NE ARG A 853 -44.904 62.465 31.294 1.00 43.34 N ATOM 1720 CZ ARG A 853 -43.849 62.569 32.095 1.00 53.21 C ATOM 1721 NH1 ARG A 853 -43.047 61.530 32.278 1.00 30.35 N ATOM 1722 NH2 ARG A 853 -43.595 63.715 32.714 1.00 34.12 N ATOM 0 H ARG A 853 -48.217 58.287 28.304 1.00 5.15 H new ATOM 0 HA ARG A 853 -46.251 59.903 27.134 1.00 31.50 H new ATOM 0 HB2 ARG A 853 -48.015 60.660 28.708 1.00 20.33 H new ATOM 0 HB3 ARG A 853 -47.250 59.766 30.007 1.00 20.33 H new ATOM 0 HG2 ARG A 853 -45.593 61.784 28.525 1.00 0.01 H new ATOM 0 HG3 ARG A 853 -46.816 62.376 29.631 1.00 0.01 H new ATOM 0 HD2 ARG A 853 -45.735 60.545 31.260 1.00 60.51 H new ATOM 0 HD3 ARG A 853 -44.346 60.763 30.213 1.00 60.51 H new ATOM 0 HE ARG A 853 -45.501 63.283 31.175 1.00 43.34 H new ATOM 0 HH11 ARG A 853 -43.239 60.648 31.803 1.00 30.35 H new ATOM 0 HH12 ARG A 853 -42.238 61.613 32.893 1.00 30.35 H new ATOM 0 HH21 ARG A 853 -44.210 64.517 32.575 1.00 34.12 H new ATOM 0 HH22 ARG A 853 -42.785 63.794 33.329 1.00 34.12 H new ATOM 1736 N ILE A 854 -45.160 57.881 29.505 1.00 72.33 N ATOM 1737 CA ILE A 854 -43.957 57.296 30.084 1.00 42.44 C ATOM 1738 C ILE A 854 -43.199 56.465 29.054 1.00 51.32 C ATOM 1739 O ILE A 854 -41.979 56.319 29.134 1.00 43.31 O ATOM 1740 CB ILE A 854 -44.290 56.410 31.298 1.00 63.51 C ATOM 1741 CG1 ILE A 854 -45.083 55.178 30.856 1.00 53.44 C ATOM 1742 CG2 ILE A 854 -45.068 57.204 32.336 1.00 34.41 C ATOM 1743 CD1 ILE A 854 -45.436 54.246 31.993 1.00 23.13 C ATOM 0 H ILE A 854 -46.032 57.494 29.865 1.00 72.33 H new ATOM 0 HA ILE A 854 -43.329 58.125 30.411 1.00 42.44 H new ATOM 0 HB ILE A 854 -43.357 56.074 31.751 1.00 63.51 H new ATOM 0 HG12 ILE A 854 -46.001 55.503 30.366 1.00 53.44 H new ATOM 0 HG13 ILE A 854 -44.503 54.629 30.114 1.00 53.44 H new ATOM 0 HG21 ILE A 854 -45.296 56.564 33.188 1.00 34.41 H new ATOM 0 HG22 ILE A 854 -44.470 58.052 32.669 1.00 34.41 H new ATOM 0 HG23 ILE A 854 -45.997 57.566 31.896 1.00 34.41 H new ATOM 0 HD11 ILE A 854 -45.997 53.396 31.606 1.00 23.13 H new ATOM 0 HD12 ILE A 854 -44.522 53.891 32.470 1.00 23.13 H new ATOM 0 HD13 ILE A 854 -46.043 54.779 32.725 1.00 23.13 H new ATOM 1755 N LEU A 855 -43.930 55.924 28.086 1.00 62.44 N ATOM 1756 CA LEU A 855 -43.327 55.108 27.037 1.00 21.01 C ATOM 1757 C LEU A 855 -42.342 55.927 26.209 1.00 72.14 C ATOM 1758 O LEU A 855 -41.150 55.622 26.161 1.00 23.35 O ATOM 1759 CB LEU A 855 -44.412 54.524 26.130 1.00 2.25 C ATOM 1760 CG LEU A 855 -44.207 53.075 25.686 1.00 13.41 C ATOM 1761 CD1 LEU A 855 -45.296 52.658 24.710 1.00 63.15 C ATOM 1762 CD2 LEU A 855 -42.831 52.898 25.061 1.00 11.44 C ATOM 0 H LEU A 855 -44.941 56.035 28.005 1.00 62.44 H new ATOM 0 HA LEU A 855 -42.783 54.292 27.513 1.00 21.01 H new ATOM 0 HB2 LEU A 855 -45.368 54.592 26.650 1.00 2.25 H new ATOM 0 HB3 LEU A 855 -44.488 55.148 25.240 1.00 2.25 H new ATOM 0 HG LEU A 855 -44.269 52.433 26.565 1.00 13.41 H new ATOM 0 HD11 LEU A 855 -45.134 51.624 24.405 1.00 63.15 H new ATOM 0 HD12 LEU A 855 -46.270 52.746 25.192 1.00 63.15 H new ATOM 0 HD13 LEU A 855 -45.266 53.304 23.833 1.00 63.15 H new ATOM 0 HD21 LEU A 855 -42.703 51.861 24.751 1.00 11.44 H new ATOM 0 HD22 LEU A 855 -42.739 53.550 24.193 1.00 11.44 H new ATOM 0 HD23 LEU A 855 -42.064 53.156 25.791 1.00 11.44 H new