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= -0.163 X(o=-0.16,f=-0.43) USER MOD Single : A 779 THR OG1 : rot -160:sc= -0.666 USER MOD Single : A 801 GLN : amide:sc= -0.519 K(o=-0.52,f=-2.4) 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= -1.67 K(o=-1.7,f=-4.3) USER MOD Single : A 808 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 809 ASN : amide:sc=-0.00631 X(o=-0.0063,f=-0.26) USER MOD Single : A 810 SER OG : rot 180:sc= 0 USER MOD Single : A 813 ASN : amide:sc= -0.571 K(o=-0.57,f=-2.3!) USER MOD Single : A 816 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 818 THR OG1 : rot 105:sc= 1.26 USER MOD Single : A 826 THR OG1 : rot 17:sc= 0.411 USER MOD Single : A 834 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 837 TYR OH : rot 180:sc= 0 USER MOD Single : A 842 HIS : no HD1:sc= -0.0241 X(o=-0.024,f=-0.18) USER MOD Single : A 849 GLN : amide:sc= -0.4 X(o=-0.4,f=-0.85) USER MOD ----------------------------------------------------------------- ATOM 261 N TYR A 768 5.791 16.193 -18.520 1.00 64.33 N ATOM 262 CA TYR A 768 5.583 17.596 -18.855 1.00 43.44 C ATOM 263 C TYR A 768 4.107 17.968 -18.753 1.00 61.33 C ATOM 264 O TYR A 768 3.755 19.023 -18.224 1.00 62.33 O ATOM 265 CB TYR A 768 6.097 17.887 -20.266 1.00 45.24 C ATOM 266 CG TYR A 768 6.203 19.363 -20.580 1.00 74.53 C ATOM 267 CD1 TYR A 768 5.743 19.870 -21.790 1.00 32.25 C ATOM 268 CD2 TYR A 768 6.762 20.249 -19.669 1.00 25.03 C ATOM 269 CE1 TYR A 768 5.837 21.217 -22.081 1.00 64.12 C ATOM 270 CE2 TYR A 768 6.860 21.598 -19.951 1.00 72.42 C ATOM 271 CZ TYR A 768 6.396 22.077 -21.159 1.00 21.33 C ATOM 272 OH TYR A 768 6.493 23.419 -21.445 1.00 15.35 O ATOM 0 HA TYR A 768 6.142 18.200 -18.140 1.00 43.44 H new ATOM 0 HB2 TYR A 768 7.077 17.427 -20.388 1.00 45.24 H new ATOM 0 HB3 TYR A 768 5.432 17.417 -20.990 1.00 45.24 H new ATOM 0 HD1 TYR A 768 5.305 19.200 -22.514 1.00 32.25 H new ATOM 0 HD2 TYR A 768 7.127 19.877 -18.723 1.00 25.03 H new ATOM 0 HE1 TYR A 768 5.475 21.595 -23.026 1.00 64.12 H new ATOM 0 HE2 TYR A 768 7.297 22.273 -19.230 1.00 72.42 H new ATOM 0 HH TYR A 768 6.909 23.885 -20.690 1.00 15.35 H new ATOM 282 N HIS A 769 3.247 17.092 -19.263 1.00 53.25 N ATOM 283 CA HIS A 769 1.807 17.326 -19.229 1.00 44.04 C ATOM 284 C HIS A 769 1.307 17.423 -17.791 1.00 74.14 C ATOM 285 O HIS A 769 0.564 18.341 -17.443 1.00 71.11 O ATOM 286 CB HIS A 769 1.070 16.206 -19.964 1.00 51.32 C ATOM 287 CG HIS A 769 1.008 16.403 -21.448 1.00 14.04 C ATOM 288 ND1 HIS A 769 0.847 17.639 -22.037 1.00 14.32 N ATOM 289 CD2 HIS A 769 1.087 15.512 -22.463 1.00 63.41 C ATOM 290 CE1 HIS A 769 0.828 17.500 -23.350 1.00 63.43 C ATOM 291 NE2 HIS A 769 0.973 16.218 -23.635 1.00 60.01 N ATOM 0 H HIS A 769 3.522 16.214 -19.704 1.00 53.25 H new ATOM 0 HA HIS A 769 1.605 18.273 -19.730 1.00 44.04 H new ATOM 0 HB2 HIS A 769 1.563 15.257 -19.752 1.00 51.32 H new ATOM 0 HB3 HIS A 769 0.055 16.132 -19.573 1.00 51.32 H new ATOM 0 HD2 HIS A 769 1.216 14.444 -22.369 1.00 63.41 H new ATOM 0 HE1 HIS A 769 0.713 18.298 -24.068 1.00 63.43 H new ATOM 0 HE2 HIS A 769 0.996 15.818 -24.573 1.00 60.01 H new ATOM 299 N ARG A 770 1.718 16.470 -16.961 1.00 75.34 N ATOM 300 CA ARG A 770 1.309 16.447 -15.562 1.00 71.21 C ATOM 301 C ARG A 770 1.800 17.694 -14.832 1.00 34.40 C ATOM 302 O ARG A 770 1.006 18.450 -14.271 1.00 1.23 O ATOM 303 CB ARG A 770 1.848 15.193 -14.872 1.00 24.14 C ATOM 304 CG ARG A 770 2.028 15.354 -13.371 1.00 25.30 C ATOM 305 CD ARG A 770 2.538 14.072 -12.730 1.00 75.25 C ATOM 306 NE ARG A 770 1.535 13.010 -12.759 1.00 11.33 N ATOM 307 CZ ARG A 770 0.492 12.962 -11.937 1.00 24.11 C ATOM 308 NH1 ARG A 770 0.317 13.910 -11.027 1.00 55.54 N ATOM 309 NH2 ARG A 770 -0.377 11.963 -12.024 1.00 51.43 N ATOM 0 H ARG A 770 2.334 15.704 -17.233 1.00 75.34 H new ATOM 0 HA ARG A 770 0.220 16.432 -15.528 1.00 71.21 H new ATOM 0 HB2 ARG A 770 1.167 14.363 -15.061 1.00 24.14 H new ATOM 0 HB3 ARG A 770 2.806 14.927 -15.318 1.00 24.14 H new ATOM 0 HG2 ARG A 770 2.729 16.165 -13.172 1.00 25.30 H new ATOM 0 HG3 ARG A 770 1.078 15.636 -12.918 1.00 25.30 H new ATOM 0 HD2 ARG A 770 3.435 13.738 -13.251 1.00 75.25 H new ATOM 0 HD3 ARG A 770 2.825 14.272 -11.698 1.00 75.25 H new ATOM 0 HE ARG A 770 1.641 12.265 -13.448 1.00 11.33 H new ATOM 0 HH11 ARG A 770 0.984 14.679 -10.957 1.00 55.54 H new ATOM 0 HH12 ARG A 770 -0.484 13.871 -10.397 1.00 55.54 H new ATOM 0 HH21 ARG A 770 -0.245 11.231 -12.722 1.00 51.43 H new ATOM 0 HH22 ARG A 770 -1.177 11.927 -11.393 1.00 51.43 H new ATOM 323 N LEU A 771 3.112 17.901 -14.843 1.00 13.11 N ATOM 324 CA LEU A 771 3.709 19.056 -14.181 1.00 62.05 C ATOM 325 C LEU A 771 2.993 20.342 -14.579 1.00 53.44 C ATOM 326 O LEU A 771 2.566 21.117 -13.723 1.00 54.01 O ATOM 327 CB LEU A 771 5.195 19.157 -14.532 1.00 32.14 C ATOM 328 CG LEU A 771 6.151 18.376 -13.630 1.00 64.30 C ATOM 329 CD1 LEU A 771 5.996 16.880 -13.856 1.00 64.13 C ATOM 330 CD2 LEU A 771 7.589 18.808 -13.877 1.00 5.13 C ATOM 0 H LEU A 771 3.782 17.285 -15.303 1.00 13.11 H new ATOM 0 HA LEU A 771 3.604 18.922 -13.104 1.00 62.05 H new ATOM 0 HB2 LEU A 771 5.330 18.811 -15.557 1.00 32.14 H new ATOM 0 HB3 LEU A 771 5.483 20.208 -14.509 1.00 32.14 H new ATOM 0 HG LEU A 771 5.900 18.594 -12.592 1.00 64.30 H new ATOM 0 HD11 LEU A 771 6.684 16.341 -13.205 1.00 64.13 H new ATOM 0 HD12 LEU A 771 4.973 16.582 -13.628 1.00 64.13 H new ATOM 0 HD13 LEU A 771 6.220 16.644 -14.896 1.00 64.13 H new ATOM 0 HD21 LEU A 771 8.256 18.242 -13.227 1.00 5.13 H new ATOM 0 HD22 LEU A 771 7.852 18.620 -14.918 1.00 5.13 H new ATOM 0 HD23 LEU A 771 7.691 19.872 -13.664 1.00 5.13 H new ATOM 342 N ARG A 772 2.863 20.562 -15.884 1.00 1.34 N ATOM 343 CA ARG A 772 2.197 21.754 -16.395 1.00 2.20 C ATOM 344 C ARG A 772 0.740 21.798 -15.945 1.00 73.15 C ATOM 345 O ARG A 772 0.184 22.871 -15.712 1.00 54.20 O ATOM 346 CB ARG A 772 2.272 21.791 -17.923 1.00 23.45 C ATOM 347 CG ARG A 772 3.544 22.431 -18.455 1.00 31.13 C ATOM 348 CD ARG A 772 3.343 22.988 -19.855 1.00 50.13 C ATOM 349 NE ARG A 772 2.990 21.945 -20.814 1.00 64.52 N ATOM 350 CZ ARG A 772 2.647 22.189 -22.074 1.00 14.53 C ATOM 351 NH1 ARG A 772 2.610 23.436 -22.524 1.00 12.02 N ATOM 352 NH2 ARG A 772 2.339 21.186 -22.886 1.00 3.21 N ATOM 0 H ARG A 772 3.210 19.930 -16.606 1.00 1.34 H new ATOM 0 HA ARG A 772 2.710 22.627 -15.992 1.00 2.20 H new ATOM 0 HB2 ARG A 772 2.199 20.773 -18.307 1.00 23.45 H new ATOM 0 HB3 ARG A 772 1.412 22.339 -18.307 1.00 23.45 H new ATOM 0 HG2 ARG A 772 3.858 23.232 -17.785 1.00 31.13 H new ATOM 0 HG3 ARG A 772 4.346 21.693 -18.467 1.00 31.13 H new ATOM 0 HD2 ARG A 772 2.557 23.743 -19.835 1.00 50.13 H new ATOM 0 HD3 ARG A 772 4.256 23.486 -20.181 1.00 50.13 H new ATOM 0 HE ARG A 772 3.008 20.975 -20.499 1.00 64.52 H new ATOM 0 HH11 ARG A 772 2.845 24.210 -21.902 1.00 12.02 H new ATOM 0 HH12 ARG A 772 2.346 23.621 -23.492 1.00 12.02 H new ATOM 0 HH21 ARG A 772 2.365 20.226 -22.543 1.00 3.21 H new ATOM 0 HH22 ARG A 772 2.076 21.375 -23.853 1.00 3.21 H new ATOM 366 N ASP A 773 0.127 20.625 -15.827 1.00 43.01 N ATOM 367 CA ASP A 773 -1.265 20.529 -15.405 1.00 73.22 C ATOM 368 C ASP A 773 -1.447 21.090 -13.998 1.00 41.03 C ATOM 369 O ASP A 773 -2.229 22.018 -13.785 1.00 24.35 O ATOM 370 CB ASP A 773 -1.735 19.074 -15.452 1.00 13.10 C ATOM 371 CG ASP A 773 -2.790 18.840 -16.516 1.00 2.22 C ATOM 372 OD1 ASP A 773 -2.702 17.815 -17.224 1.00 22.13 O ATOM 373 OD2 ASP A 773 -3.703 19.682 -16.640 1.00 15.10 O ATOM 0 H ASP A 773 0.573 19.728 -16.018 1.00 43.01 H new ATOM 0 HA ASP A 773 -1.869 21.121 -16.093 1.00 73.22 H new ATOM 0 HB2 ASP A 773 -0.880 18.425 -15.643 1.00 13.10 H new ATOM 0 HB3 ASP A 773 -2.137 18.793 -14.478 1.00 13.10 H new ATOM 378 N LEU A 774 -0.721 20.521 -13.042 1.00 13.31 N ATOM 379 CA LEU A 774 -0.803 20.964 -11.654 1.00 63.13 C ATOM 380 C LEU A 774 -0.430 22.438 -11.530 1.00 74.11 C ATOM 381 O LEU A 774 -1.075 23.193 -10.801 1.00 53.03 O ATOM 382 CB LEU A 774 0.118 20.118 -10.774 1.00 21.45 C ATOM 383 CG LEU A 774 -0.450 18.779 -10.300 1.00 1.31 C ATOM 384 CD1 LEU A 774 -1.695 18.997 -9.455 1.00 15.10 C ATOM 385 CD2 LEU A 774 -0.760 17.881 -11.488 1.00 62.24 C ATOM 0 H LEU A 774 -0.069 19.753 -13.202 1.00 13.31 H new ATOM 0 HA LEU A 774 -1.833 20.839 -11.318 1.00 63.13 H new ATOM 0 HB2 LEU A 774 1.038 19.925 -11.326 1.00 21.45 H new ATOM 0 HB3 LEU A 774 0.390 20.705 -9.897 1.00 21.45 H new ATOM 0 HG LEU A 774 0.301 18.285 -9.683 1.00 1.31 H new ATOM 0 HD11 LEU A 774 -2.085 18.034 -9.127 1.00 15.10 H new ATOM 0 HD12 LEU A 774 -1.442 19.602 -8.584 1.00 15.10 H new ATOM 0 HD13 LEU A 774 -2.451 19.512 -10.047 1.00 15.10 H new ATOM 0 HD21 LEU A 774 -1.163 16.933 -11.132 1.00 62.24 H new ATOM 0 HD22 LEU A 774 -1.493 18.368 -12.131 1.00 62.24 H new ATOM 0 HD23 LEU A 774 0.154 17.697 -12.053 1.00 62.24 H new ATOM 397 N LEU A 775 0.612 22.842 -12.248 1.00 22.35 N ATOM 398 CA LEU A 775 1.070 24.227 -12.220 1.00 34.31 C ATOM 399 C LEU A 775 -0.012 25.168 -12.741 1.00 21.22 C ATOM 400 O LEU A 775 -0.160 26.290 -12.255 1.00 32.01 O ATOM 401 CB LEU A 775 2.342 24.381 -13.055 1.00 54.14 C ATOM 402 CG LEU A 775 3.341 25.432 -12.569 1.00 73.41 C ATOM 403 CD1 LEU A 775 2.720 26.819 -12.612 1.00 53.12 C ATOM 404 CD2 LEU A 775 3.818 25.102 -11.162 1.00 42.42 C ATOM 0 H LEU A 775 1.156 22.230 -12.857 1.00 22.35 H new ATOM 0 HA LEU A 775 1.288 24.491 -11.185 1.00 34.31 H new ATOM 0 HB2 LEU A 775 2.848 23.416 -13.090 1.00 54.14 H new ATOM 0 HB3 LEU A 775 2.054 24.628 -14.077 1.00 54.14 H new ATOM 0 HG LEU A 775 4.203 25.422 -13.236 1.00 73.41 H new ATOM 0 HD11 LEU A 775 3.446 27.554 -12.263 1.00 53.12 H new ATOM 0 HD12 LEU A 775 2.428 27.055 -13.635 1.00 53.12 H new ATOM 0 HD13 LEU A 775 1.840 26.844 -11.969 1.00 53.12 H new ATOM 0 HD21 LEU A 775 4.528 25.860 -10.832 1.00 42.42 H new ATOM 0 HD22 LEU A 775 2.965 25.084 -10.484 1.00 42.42 H new ATOM 0 HD23 LEU A 775 4.303 24.126 -11.162 1.00 42.42 H new ATOM 416 N LEU A 776 -0.767 24.703 -13.730 1.00 43.12 N ATOM 417 CA LEU A 776 -1.837 25.502 -14.316 1.00 53.41 C ATOM 418 C LEU A 776 -2.987 25.680 -13.329 1.00 61.34 C ATOM 419 O LEU A 776 -3.335 26.802 -12.962 1.00 51.35 O ATOM 420 CB LEU A 776 -2.348 24.844 -15.599 1.00 51.31 C ATOM 421 CG LEU A 776 -2.991 25.780 -16.623 1.00 53.12 C ATOM 422 CD1 LEU A 776 -4.252 26.410 -16.052 1.00 51.45 C ATOM 423 CD2 LEU A 776 -2.005 26.855 -17.057 1.00 61.41 C ATOM 0 H LEU A 776 -0.658 23.777 -14.143 1.00 43.12 H new ATOM 0 HA LEU A 776 -1.433 26.486 -14.556 1.00 53.41 H new ATOM 0 HB2 LEU A 776 -1.514 24.332 -16.078 1.00 51.31 H new ATOM 0 HB3 LEU A 776 -3.077 24.080 -15.327 1.00 51.31 H new ATOM 0 HG LEU A 776 -3.267 25.194 -17.499 1.00 53.12 H new ATOM 0 HD11 LEU A 776 -4.696 27.073 -16.795 1.00 51.45 H new ATOM 0 HD12 LEU A 776 -4.964 25.627 -15.792 1.00 51.45 H new ATOM 0 HD13 LEU A 776 -4.001 26.982 -15.159 1.00 51.45 H new ATOM 0 HD21 LEU A 776 -2.480 27.512 -17.786 1.00 61.41 H new ATOM 0 HD22 LEU A 776 -1.697 27.438 -16.189 1.00 61.41 H new ATOM 0 HD23 LEU A 776 -1.130 26.386 -17.507 1.00 61.41 H new ATOM 435 N ILE A 777 -3.570 24.565 -12.902 1.00 75.05 N ATOM 436 CA ILE A 777 -4.678 24.598 -11.956 1.00 32.43 C ATOM 437 C ILE A 777 -4.327 25.429 -10.727 1.00 2.22 C ATOM 438 O ILE A 777 -5.133 26.230 -10.254 1.00 55.34 O ATOM 439 CB ILE A 777 -5.076 23.179 -11.505 1.00 41.54 C ATOM 440 CG1 ILE A 777 -6.160 23.248 -10.428 1.00 1.22 C ATOM 441 CG2 ILE A 777 -3.858 22.426 -10.992 1.00 71.21 C ATOM 442 CD1 ILE A 777 -7.403 23.989 -10.868 1.00 12.03 C ATOM 0 H ILE A 777 -3.294 23.628 -13.196 1.00 75.05 H new ATOM 0 HA ILE A 777 -5.521 25.056 -12.473 1.00 32.43 H new ATOM 0 HB ILE A 777 -5.477 22.640 -12.363 1.00 41.54 H new ATOM 0 HG12 ILE A 777 -6.435 22.235 -10.136 1.00 1.22 H new ATOM 0 HG13 ILE A 777 -5.751 23.735 -9.543 1.00 1.22 H new ATOM 0 HG21 ILE A 777 -4.155 21.426 -10.677 1.00 71.21 H new ATOM 0 HG22 ILE A 777 -3.115 22.351 -11.786 1.00 71.21 H new ATOM 0 HG23 ILE A 777 -3.430 22.961 -10.144 1.00 71.21 H new ATOM 0 HD11 ILE A 777 -8.128 23.998 -10.054 1.00 12.03 H new ATOM 0 HD12 ILE A 777 -7.141 25.014 -11.133 1.00 12.03 H new ATOM 0 HD13 ILE A 777 -7.836 23.490 -11.735 1.00 12.03 H new ATOM 454 N VAL A 778 -3.116 25.235 -10.214 1.00 21.21 N ATOM 455 CA VAL A 778 -2.655 25.969 -9.041 1.00 74.14 C ATOM 456 C VAL A 778 -2.561 27.463 -9.330 1.00 71.24 C ATOM 457 O VAL A 778 -3.264 28.270 -8.722 1.00 2.53 O ATOM 458 CB VAL A 778 -1.281 25.461 -8.565 1.00 53.44 C ATOM 459 CG1 VAL A 778 -0.723 26.369 -7.480 1.00 51.53 C ATOM 460 CG2 VAL A 778 -1.386 24.027 -8.070 1.00 60.10 C ATOM 0 H VAL A 778 -2.436 24.575 -10.592 1.00 21.21 H new ATOM 0 HA VAL A 778 -3.389 25.800 -8.253 1.00 74.14 H new ATOM 0 HB VAL A 778 -0.593 25.480 -9.410 1.00 53.44 H new ATOM 0 HG11 VAL A 778 0.248 25.995 -7.156 1.00 51.53 H new ATOM 0 HG12 VAL A 778 -0.609 27.379 -7.874 1.00 51.53 H new ATOM 0 HG13 VAL A 778 -1.407 26.385 -6.632 1.00 51.53 H new ATOM 0 HG21 VAL A 778 -0.406 23.684 -7.738 1.00 60.10 H new ATOM 0 HG22 VAL A 778 -2.088 23.980 -7.238 1.00 60.10 H new ATOM 0 HG23 VAL A 778 -1.739 23.388 -8.879 1.00 60.10 H new ATOM 470 N THR A 779 -1.687 27.825 -10.265 1.00 13.34 N ATOM 471 CA THR A 779 -1.500 29.222 -10.635 1.00 2.43 C ATOM 472 C THR A 779 -2.832 29.888 -10.960 1.00 43.54 C ATOM 473 O THR A 779 -3.027 31.073 -10.689 1.00 3.31 O ATOM 474 CB THR A 779 -0.559 29.361 -11.847 1.00 15.12 C ATOM 475 OG1 THR A 779 0.726 28.813 -11.535 1.00 30.31 O ATOM 476 CG2 THR A 779 -0.409 30.820 -12.251 1.00 75.13 C ATOM 0 H THR A 779 -1.098 27.170 -10.779 1.00 13.34 H new ATOM 0 HA THR A 779 -1.049 29.719 -9.776 1.00 2.43 H new ATOM 0 HB THR A 779 -0.995 28.812 -12.682 1.00 15.12 H new ATOM 0 HG1 THR A 779 1.394 29.173 -12.155 1.00 30.31 H new ATOM 0 HG21 THR A 779 0.260 30.893 -13.109 1.00 75.13 H new ATOM 0 HG22 THR A 779 -1.385 31.226 -12.516 1.00 75.13 H new ATOM 0 HG23 THR A 779 0.006 31.387 -11.418 1.00 75.13 H new ATOM 484 N ARG A 780 -3.746 29.119 -11.543 1.00 43.51 N ATOM 485 CA ARG A 780 -5.060 29.636 -11.906 1.00 42.12 C ATOM 486 C ARG A 780 -5.853 30.027 -10.663 1.00 3.44 C ATOM 487 O ARG A 780 -6.270 31.177 -10.517 1.00 74.41 O ATOM 488 CB ARG A 780 -5.836 28.593 -12.712 1.00 55.21 C ATOM 489 CG ARG A 780 -7.010 29.172 -13.486 1.00 63.30 C ATOM 490 CD ARG A 780 -8.209 29.413 -12.582 1.00 45.41 C ATOM 491 NE ARG A 780 -9.420 29.700 -13.345 1.00 53.31 N ATOM 492 CZ ARG A 780 -10.083 28.785 -14.043 1.00 53.01 C ATOM 493 NH1 ARG A 780 -9.654 27.531 -14.074 1.00 32.11 N ATOM 494 NH2 ARG A 780 -11.178 29.123 -14.712 1.00 13.52 N ATOM 0 H ARG A 780 -3.601 28.136 -11.774 1.00 43.51 H new ATOM 0 HA ARG A 780 -4.916 30.526 -12.519 1.00 42.12 H new ATOM 0 HB2 ARG A 780 -5.156 28.106 -13.411 1.00 55.21 H new ATOM 0 HB3 ARG A 780 -6.203 27.822 -12.035 1.00 55.21 H new ATOM 0 HG2 ARG A 780 -6.711 30.110 -13.954 1.00 63.30 H new ATOM 0 HG3 ARG A 780 -7.290 28.490 -14.289 1.00 63.30 H new ATOM 0 HD2 ARG A 780 -8.374 28.536 -11.957 1.00 45.41 H new ATOM 0 HD3 ARG A 780 -7.996 30.246 -11.912 1.00 45.41 H new ATOM 0 HE ARG A 780 -9.777 30.656 -13.342 1.00 53.31 H new ATOM 0 HH11 ARG A 780 -8.813 27.267 -13.561 1.00 32.11 H new ATOM 0 HH12 ARG A 780 -10.165 26.830 -14.611 1.00 32.11 H new ATOM 0 HH21 ARG A 780 -11.512 30.087 -14.691 1.00 13.52 H new ATOM 0 HH22 ARG A 780 -11.686 28.419 -15.248 1.00 13.52 H new ATOM 508 N ILE A 781 -6.056 29.065 -9.770 1.00 33.51 N ATOM 509 CA ILE A 781 -6.798 29.309 -8.539 1.00 73.13 C ATOM 510 C ILE A 781 -6.154 30.423 -7.721 1.00 21.53 C ATOM 511 O ILE A 781 -6.836 31.156 -7.005 1.00 21.12 O ATOM 512 CB ILE A 781 -6.888 28.038 -7.674 1.00 74.24 C ATOM 513 CG1 ILE A 781 -7.649 26.940 -8.421 1.00 23.42 C ATOM 514 CG2 ILE A 781 -7.563 28.348 -6.346 1.00 62.53 C ATOM 515 CD1 ILE A 781 -9.102 27.276 -8.674 1.00 23.43 C ATOM 0 H ILE A 781 -5.717 28.109 -9.876 1.00 33.51 H new ATOM 0 HA ILE A 781 -7.804 29.611 -8.831 1.00 73.13 H new ATOM 0 HB ILE A 781 -5.878 27.681 -7.471 1.00 74.24 H new ATOM 0 HG12 ILE A 781 -7.156 26.753 -9.375 1.00 23.42 H new ATOM 0 HG13 ILE A 781 -7.593 26.015 -7.847 1.00 23.42 H new ATOM 0 HG21 ILE A 781 -7.619 27.440 -5.746 1.00 62.53 H new ATOM 0 HG22 ILE A 781 -6.985 29.101 -5.811 1.00 62.53 H new ATOM 0 HG23 ILE A 781 -8.569 28.725 -6.529 1.00 62.53 H new ATOM 0 HD11 ILE A 781 -9.578 26.453 -9.207 1.00 23.43 H new ATOM 0 HD12 ILE A 781 -9.610 27.434 -7.723 1.00 23.43 H new ATOM 0 HD13 ILE A 781 -9.166 28.183 -9.275 1.00 23.43 H new ATOM 527 N VAL A 782 -4.835 30.545 -7.833 1.00 20.32 N ATOM 528 CA VAL A 782 -4.098 31.571 -7.106 1.00 3.04 C ATOM 529 C VAL A 782 -4.432 32.963 -7.630 1.00 3.11 C ATOM 530 O VAL A 782 -4.838 33.842 -6.870 1.00 62.32 O ATOM 531 CB VAL A 782 -2.577 31.348 -7.207 1.00 31.44 C ATOM 532 CG1 VAL A 782 -1.825 32.452 -6.480 1.00 15.40 C ATOM 533 CG2 VAL A 782 -2.202 29.982 -6.652 1.00 23.14 C ATOM 0 H VAL A 782 -4.255 29.946 -8.420 1.00 20.32 H new ATOM 0 HA VAL A 782 -4.400 31.497 -6.061 1.00 3.04 H new ATOM 0 HB VAL A 782 -2.292 31.379 -8.259 1.00 31.44 H new ATOM 0 HG11 VAL A 782 -0.752 32.277 -6.563 1.00 15.40 H new ATOM 0 HG12 VAL A 782 -2.071 33.415 -6.927 1.00 15.40 H new ATOM 0 HG13 VAL A 782 -2.112 32.456 -5.428 1.00 15.40 H new ATOM 0 HG21 VAL A 782 -1.124 29.841 -6.731 1.00 23.14 H new ATOM 0 HG22 VAL A 782 -2.500 29.920 -5.605 1.00 23.14 H new ATOM 0 HG23 VAL A 782 -2.712 29.205 -7.221 1.00 23.14 H new ATOM 543 N GLU A 783 -4.258 33.156 -8.934 1.00 31.13 N ATOM 544 CA GLU A 783 -4.541 34.442 -9.559 1.00 52.33 C ATOM 545 C GLU A 783 -6.019 34.799 -9.425 1.00 61.15 C ATOM 546 O GLU A 783 -6.381 35.974 -9.346 1.00 31.53 O ATOM 547 CB GLU A 783 -4.144 34.414 -11.037 1.00 3.43 C ATOM 548 CG GLU A 783 -2.646 34.289 -11.262 1.00 13.11 C ATOM 549 CD GLU A 783 -2.202 34.894 -12.580 1.00 20.34 C ATOM 550 OE1 GLU A 783 -2.852 35.856 -13.039 1.00 41.12 O ATOM 551 OE2 GLU A 783 -1.205 34.405 -13.151 1.00 73.22 O ATOM 0 H GLU A 783 -3.923 32.439 -9.577 1.00 31.13 H new ATOM 0 HA GLU A 783 -3.953 35.203 -9.046 1.00 52.33 H new ATOM 0 HB2 GLU A 783 -4.647 33.579 -11.524 1.00 3.43 H new ATOM 0 HB3 GLU A 783 -4.500 35.325 -11.518 1.00 3.43 H new ATOM 0 HG2 GLU A 783 -2.117 34.780 -10.445 1.00 13.11 H new ATOM 0 HG3 GLU A 783 -2.365 33.236 -11.237 1.00 13.11 H new ATOM 850 N LEU A 800 -22.081 50.288 -2.224 1.00 30.11 N ATOM 851 CA LEU A 800 -22.337 51.164 -1.086 1.00 41.53 C ATOM 852 C LEU A 800 -22.750 52.557 -1.554 1.00 21.55 C ATOM 853 O LEU A 800 -23.839 53.031 -1.233 1.00 74.43 O ATOM 854 CB LEU A 800 -21.093 51.259 -0.201 1.00 14.45 C ATOM 855 CG LEU A 800 -21.338 51.636 1.261 1.00 4.12 C ATOM 856 CD1 LEU A 800 -21.903 53.044 1.362 1.00 12.22 C ATOM 857 CD2 LEU A 800 -22.274 50.635 1.921 1.00 75.54 C ATOM 0 HA LEU A 800 -23.156 50.737 -0.507 1.00 41.53 H new ATOM 0 HB2 LEU A 800 -20.579 50.298 -0.227 1.00 14.45 H new ATOM 0 HB3 LEU A 800 -20.417 51.994 -0.637 1.00 14.45 H new ATOM 0 HG LEU A 800 -20.384 51.611 1.787 1.00 4.12 H new ATOM 0 HD11 LEU A 800 -22.071 53.294 2.409 1.00 12.22 H new ATOM 0 HD12 LEU A 800 -21.196 53.752 0.928 1.00 12.22 H new ATOM 0 HD13 LEU A 800 -22.848 53.097 0.821 1.00 12.22 H new ATOM 0 HD21 LEU A 800 -22.437 50.920 2.961 1.00 75.54 H new ATOM 0 HD22 LEU A 800 -23.228 50.626 1.394 1.00 75.54 H new ATOM 0 HD23 LEU A 800 -21.829 49.641 1.882 1.00 75.54 H new ATOM 869 N GLN A 801 -21.873 53.204 -2.314 1.00 1.33 N ATOM 870 CA GLN A 801 -22.148 54.541 -2.826 1.00 42.42 C ATOM 871 C GLN A 801 -23.389 54.540 -3.713 1.00 1.15 C ATOM 872 O GLN A 801 -24.159 55.501 -3.721 1.00 30.22 O ATOM 873 CB GLN A 801 -20.945 55.066 -3.613 1.00 14.22 C ATOM 874 CG GLN A 801 -19.696 55.246 -2.766 1.00 1.32 C ATOM 875 CD GLN A 801 -19.884 56.263 -1.657 1.00 41.13 C ATOM 876 OE1 GLN A 801 -20.879 56.987 -1.625 1.00 55.04 O ATOM 877 NE2 GLN A 801 -18.926 56.323 -0.740 1.00 22.12 N ATOM 0 H GLN A 801 -20.967 52.825 -2.589 1.00 1.33 H new ATOM 0 HA GLN A 801 -22.332 55.197 -1.976 1.00 42.42 H new ATOM 0 HB2 GLN A 801 -20.725 54.376 -4.428 1.00 14.22 H new ATOM 0 HB3 GLN A 801 -21.207 56.022 -4.067 1.00 14.22 H new ATOM 0 HG2 GLN A 801 -19.416 54.287 -2.330 1.00 1.32 H new ATOM 0 HG3 GLN A 801 -18.870 55.559 -3.405 1.00 1.32 H new ATOM 0 HE21 GLN A 801 -18.118 55.704 -0.805 1.00 22.12 H new ATOM 0 HE22 GLN A 801 -18.998 56.988 0.030 1.00 22.12 H new ATOM 886 N TYR A 802 -23.577 53.457 -4.457 1.00 65.55 N ATOM 887 CA TYR A 802 -24.723 53.332 -5.350 1.00 21.52 C ATOM 888 C TYR A 802 -26.030 53.355 -4.564 1.00 12.12 C ATOM 889 O TYR A 802 -26.875 54.227 -4.769 1.00 22.13 O ATOM 890 CB TYR A 802 -24.626 52.038 -6.161 1.00 2.31 C ATOM 891 CG TYR A 802 -25.925 51.641 -6.825 1.00 43.10 C ATOM 892 CD1 TYR A 802 -26.706 52.582 -7.486 1.00 22.45 C ATOM 893 CD2 TYR A 802 -26.372 50.326 -6.791 1.00 45.13 C ATOM 894 CE1 TYR A 802 -27.894 52.224 -8.093 1.00 63.42 C ATOM 895 CE2 TYR A 802 -27.557 49.959 -7.397 1.00 73.24 C ATOM 896 CZ TYR A 802 -28.315 50.911 -8.047 1.00 1.01 C ATOM 897 OH TYR A 802 -29.497 50.549 -8.651 1.00 14.44 O ATOM 0 H TYR A 802 -22.951 52.652 -4.460 1.00 65.55 H new ATOM 0 HA TYR A 802 -24.714 54.182 -6.032 1.00 21.52 H new ATOM 0 HB2 TYR A 802 -23.858 52.155 -6.925 1.00 2.31 H new ATOM 0 HB3 TYR A 802 -24.302 51.231 -5.504 1.00 2.31 H new ATOM 0 HD1 TYR A 802 -26.378 53.610 -7.526 1.00 22.45 H new ATOM 0 HD2 TYR A 802 -25.782 49.578 -6.282 1.00 45.13 H new ATOM 0 HE1 TYR A 802 -28.490 52.968 -8.601 1.00 63.42 H new ATOM 0 HE2 TYR A 802 -27.889 48.932 -7.362 1.00 73.24 H new ATOM 0 HH TYR A 802 -29.647 49.588 -8.527 1.00 14.44 H new ATOM 907 N TRP A 803 -26.189 52.392 -3.664 1.00 23.34 N ATOM 908 CA TRP A 803 -27.393 52.301 -2.845 1.00 44.13 C ATOM 909 C TRP A 803 -27.628 53.598 -2.078 1.00 73.42 C ATOM 910 O TRP A 803 -28.730 54.145 -2.091 1.00 15.51 O ATOM 911 CB TRP A 803 -27.283 51.129 -1.869 1.00 33.13 C ATOM 912 CG TRP A 803 -27.156 49.799 -2.549 1.00 3.44 C ATOM 913 CD1 TRP A 803 -26.200 48.850 -2.320 1.00 54.43 C ATOM 914 CD2 TRP A 803 -28.011 49.273 -3.569 1.00 32.12 C ATOM 915 NE1 TRP A 803 -26.411 47.766 -3.137 1.00 64.32 N ATOM 916 CE2 TRP A 803 -27.516 48.000 -3.912 1.00 23.30 C ATOM 917 CE3 TRP A 803 -29.149 49.752 -4.224 1.00 64.03 C ATOM 918 CZ2 TRP A 803 -28.119 47.203 -4.882 1.00 4.22 C ATOM 919 CZ3 TRP A 803 -29.746 48.960 -5.187 1.00 3.42 C ATOM 920 CH2 TRP A 803 -29.231 47.697 -5.508 1.00 3.33 C ATOM 0 H TRP A 803 -25.499 51.663 -3.482 1.00 23.34 H new ATOM 0 HA TRP A 803 -28.242 52.134 -3.508 1.00 44.13 H new ATOM 0 HB2 TRP A 803 -26.418 51.283 -1.224 1.00 33.13 H new ATOM 0 HB3 TRP A 803 -28.163 51.117 -1.226 1.00 33.13 H new ATOM 0 HD1 TRP A 803 -25.397 48.939 -1.603 1.00 54.43 H new ATOM 0 HE1 TRP A 803 -25.837 46.923 -3.162 1.00 64.32 H new ATOM 0 HE3 TRP A 803 -29.555 50.723 -3.982 1.00 64.03 H new ATOM 0 HZ2 TRP A 803 -27.723 46.230 -5.131 1.00 4.22 H new ATOM 0 HZ3 TRP A 803 -30.625 49.321 -5.701 1.00 3.42 H new ATOM 0 HH2 TRP A 803 -29.721 47.102 -6.264 1.00 3.33 H new ATOM 931 N SER A 804 -26.586 54.083 -1.411 1.00 53.42 N ATOM 932 CA SER A 804 -26.682 55.314 -0.635 1.00 43.44 C ATOM 933 C SER A 804 -27.262 56.445 -1.480 1.00 5.12 C ATOM 934 O SER A 804 -28.316 56.994 -1.161 1.00 21.44 O ATOM 935 CB SER A 804 -25.304 55.715 -0.103 1.00 75.20 C ATOM 936 OG SER A 804 -25.413 56.383 1.142 1.00 74.11 O ATOM 0 H SER A 804 -25.666 53.643 -1.392 1.00 53.42 H new ATOM 0 HA SER A 804 -27.350 55.133 0.207 1.00 43.44 H new ATOM 0 HB2 SER A 804 -24.682 54.827 0.010 1.00 75.20 H new ATOM 0 HB3 SER A 804 -24.806 56.363 -0.825 1.00 75.20 H new ATOM 0 HG SER A 804 -24.519 56.627 1.462 1.00 74.11 H new ATOM 942 N GLN A 805 -26.564 56.787 -2.558 1.00 40.41 N ATOM 943 CA GLN A 805 -27.009 57.853 -3.448 1.00 43.23 C ATOM 944 C GLN A 805 -28.404 57.562 -3.992 1.00 25.20 C ATOM 945 O GLN A 805 -29.184 58.478 -4.247 1.00 0.44 O ATOM 946 CB GLN A 805 -26.023 58.024 -4.605 1.00 40.44 C ATOM 947 CG GLN A 805 -26.522 58.958 -5.696 1.00 44.42 C ATOM 948 CD GLN A 805 -27.379 58.249 -6.726 1.00 24.54 C ATOM 949 OE1 GLN A 805 -28.566 58.540 -6.869 1.00 53.11 O ATOM 950 NE2 GLN A 805 -26.780 57.310 -7.450 1.00 5.25 N ATOM 0 H GLN A 805 -25.689 56.342 -2.836 1.00 40.41 H new ATOM 0 HA GLN A 805 -27.049 58.779 -2.874 1.00 43.23 H new ATOM 0 HB2 GLN A 805 -25.080 58.406 -4.214 1.00 40.44 H new ATOM 0 HB3 GLN A 805 -25.815 57.047 -5.042 1.00 40.44 H new ATOM 0 HG2 GLN A 805 -27.098 59.764 -5.243 1.00 44.42 H new ATOM 0 HG3 GLN A 805 -25.668 59.417 -6.194 1.00 44.42 H new ATOM 0 HE21 GLN A 805 -25.793 57.101 -7.298 1.00 5.25 H new ATOM 0 HE22 GLN A 805 -27.307 56.798 -8.158 1.00 5.25 H new ATOM 959 N GLU A 806 -28.709 56.280 -4.167 1.00 72.04 N ATOM 960 CA GLU A 806 -30.010 55.869 -4.682 1.00 51.22 C ATOM 961 C GLU A 806 -31.130 56.311 -3.745 1.00 34.21 C ATOM 962 O GLU A 806 -32.114 56.914 -4.176 1.00 11.34 O ATOM 963 CB GLU A 806 -30.054 54.351 -4.867 1.00 61.12 C ATOM 964 CG GLU A 806 -30.216 53.919 -6.315 1.00 21.52 C ATOM 965 CD GLU A 806 -31.668 53.863 -6.748 1.00 60.11 C ATOM 966 OE1 GLU A 806 -32.532 53.578 -5.893 1.00 54.41 O ATOM 967 OE2 GLU A 806 -31.940 54.104 -7.943 1.00 45.50 O ATOM 0 H GLU A 806 -28.074 55.509 -3.960 1.00 72.04 H new ATOM 0 HA GLU A 806 -30.158 56.350 -5.649 1.00 51.22 H new ATOM 0 HB2 GLU A 806 -29.137 53.918 -4.468 1.00 61.12 H new ATOM 0 HB3 GLU A 806 -30.879 53.946 -4.281 1.00 61.12 H new ATOM 0 HG2 GLU A 806 -29.675 54.612 -6.960 1.00 21.52 H new ATOM 0 HG3 GLU A 806 -29.762 52.937 -6.450 1.00 21.52 H new ATOM 974 N LEU A 807 -30.975 56.005 -2.461 1.00 45.55 N ATOM 975 CA LEU A 807 -31.972 56.370 -1.462 1.00 34.13 C ATOM 976 C LEU A 807 -32.018 57.882 -1.263 1.00 63.44 C ATOM 977 O LEU A 807 -33.080 58.456 -1.026 1.00 55.21 O ATOM 978 CB LEU A 807 -31.667 55.679 -0.132 1.00 23.42 C ATOM 979 CG LEU A 807 -32.201 54.254 0.022 1.00 25.03 C ATOM 980 CD1 LEU A 807 -31.250 53.255 -0.619 1.00 44.30 C ATOM 981 CD2 LEU A 807 -32.415 53.921 1.492 1.00 72.15 C ATOM 0 H LEU A 807 -30.168 55.505 -2.088 1.00 45.55 H new ATOM 0 HA LEU A 807 -32.947 56.040 -1.822 1.00 34.13 H new ATOM 0 HB2 LEU A 807 -30.586 55.657 0.004 1.00 23.42 H new ATOM 0 HB3 LEU A 807 -32.077 56.288 0.674 1.00 23.42 H new ATOM 0 HG LEU A 807 -33.162 54.189 -0.489 1.00 25.03 H new ATOM 0 HD11 LEU A 807 -31.647 52.247 -0.499 1.00 44.30 H new ATOM 0 HD12 LEU A 807 -31.146 53.481 -1.680 1.00 44.30 H new ATOM 0 HD13 LEU A 807 -30.274 53.321 -0.137 1.00 44.30 H new ATOM 0 HD21 LEU A 807 -32.795 52.903 1.583 1.00 72.15 H new ATOM 0 HD22 LEU A 807 -31.468 54.004 2.025 1.00 72.15 H new ATOM 0 HD23 LEU A 807 -33.135 54.617 1.922 1.00 72.15 H new ATOM 993 N LYS A 808 -30.858 58.521 -1.364 1.00 45.32 N ATOM 994 CA LYS A 808 -30.764 59.967 -1.200 1.00 4.12 C ATOM 995 C LYS A 808 -31.455 60.692 -2.350 1.00 62.44 C ATOM 996 O LYS A 808 -32.385 61.468 -2.138 1.00 31.13 O ATOM 997 CB LYS A 808 -29.297 60.398 -1.119 1.00 73.33 C ATOM 998 CG LYS A 808 -29.113 61.878 -0.831 1.00 61.43 C ATOM 999 CD LYS A 808 -29.248 62.178 0.652 1.00 1.01 C ATOM 1000 CE LYS A 808 -27.992 61.787 1.416 1.00 12.44 C ATOM 1001 NZ LYS A 808 -27.903 62.484 2.730 1.00 71.23 N ATOM 0 H LYS A 808 -29.969 58.060 -1.559 1.00 45.32 H new ATOM 0 HA LYS A 808 -31.267 60.235 -0.271 1.00 4.12 H new ATOM 0 HB2 LYS A 808 -28.800 59.820 -0.340 1.00 73.33 H new ATOM 0 HB3 LYS A 808 -28.803 60.155 -2.060 1.00 73.33 H new ATOM 0 HG2 LYS A 808 -28.131 62.198 -1.180 1.00 61.43 H new ATOM 0 HG3 LYS A 808 -29.853 62.453 -1.388 1.00 61.43 H new ATOM 0 HD2 LYS A 808 -29.445 63.241 0.793 1.00 1.01 H new ATOM 0 HD3 LYS A 808 -30.104 61.639 1.057 1.00 1.01 H new ATOM 0 HE2 LYS A 808 -27.985 60.709 1.575 1.00 12.44 H new ATOM 0 HE3 LYS A 808 -27.113 62.027 0.817 1.00 12.44 H new ATOM 0 HZ1 LYS A 808 -27.034 62.191 3.220 1.00 71.23 H new ATOM 0 HZ2 LYS A 808 -27.884 63.512 2.577 1.00 71.23 H new ATOM 0 HZ3 LYS A 808 -28.729 62.235 3.311 1.00 71.23 H new ATOM 1015 N ASN A 809 -30.994 60.431 -3.570 1.00 11.24 N ATOM 1016 CA ASN A 809 -31.569 61.058 -4.754 1.00 53.31 C ATOM 1017 C ASN A 809 -33.064 60.769 -4.851 1.00 12.42 C ATOM 1018 O ASN A 809 -33.863 61.664 -5.129 1.00 61.22 O ATOM 1019 CB ASN A 809 -30.860 60.561 -6.015 1.00 43.32 C ATOM 1020 CG ASN A 809 -31.650 60.853 -7.276 1.00 41.12 C ATOM 1021 OD1 ASN A 809 -32.181 61.950 -7.449 1.00 55.01 O ATOM 1022 ND2 ASN A 809 -31.731 59.869 -8.165 1.00 3.44 N ATOM 0 H ASN A 809 -30.225 59.790 -3.764 1.00 11.24 H new ATOM 0 HA ASN A 809 -31.430 62.136 -4.667 1.00 53.31 H new ATOM 0 HB2 ASN A 809 -29.880 61.032 -6.087 1.00 43.32 H new ATOM 0 HB3 ASN A 809 -30.693 59.487 -5.935 1.00 43.32 H new ATOM 0 HD21 ASN A 809 -32.249 60.007 -9.033 1.00 3.44 H new ATOM 0 HD22 ASN A 809 -31.275 58.976 -7.980 1.00 3.44 H new ATOM 1029 N SER A 810 -33.435 59.514 -4.618 1.00 52.45 N ATOM 1030 CA SER A 810 -34.834 59.106 -4.682 1.00 43.35 C ATOM 1031 C SER A 810 -35.658 59.823 -3.617 1.00 41.03 C ATOM 1032 O SER A 810 -36.696 60.414 -3.913 1.00 72.55 O ATOM 1033 CB SER A 810 -34.954 57.592 -4.503 1.00 23.21 C ATOM 1034 OG SER A 810 -36.308 57.178 -4.554 1.00 30.14 O ATOM 0 H SER A 810 -32.787 58.762 -4.383 1.00 52.45 H new ATOM 0 HA SER A 810 -35.223 59.380 -5.663 1.00 43.35 H new ATOM 0 HB2 SER A 810 -34.386 57.084 -5.282 1.00 23.21 H new ATOM 0 HB3 SER A 810 -34.517 57.300 -3.548 1.00 23.21 H new ATOM 0 HG SER A 810 -36.357 56.206 -4.439 1.00 30.14 H new ATOM 1040 N ALA A 811 -35.187 59.766 -2.376 1.00 2.11 N ATOM 1041 CA ALA A 811 -35.878 60.411 -1.266 1.00 60.32 C ATOM 1042 C ALA A 811 -36.184 61.870 -1.584 1.00 14.31 C ATOM 1043 O ALA A 811 -37.326 62.315 -1.468 1.00 35.03 O ATOM 1044 CB ALA A 811 -35.047 60.308 0.004 1.00 1.22 C ATOM 0 H ALA A 811 -34.330 59.280 -2.114 1.00 2.11 H new ATOM 0 HA ALA A 811 -36.825 59.894 -1.110 1.00 60.32 H new ATOM 0 HB1 ALA A 811 -35.575 60.794 0.825 1.00 1.22 H new ATOM 0 HB2 ALA A 811 -34.884 59.258 0.248 1.00 1.22 H new ATOM 0 HB3 ALA A 811 -34.086 60.798 -0.150 1.00 1.22 H new ATOM 1050 N VAL A 812 -35.157 62.612 -1.985 1.00 2.32 N ATOM 1051 CA VAL A 812 -35.317 64.022 -2.320 1.00 4.34 C ATOM 1052 C VAL A 812 -36.250 64.202 -3.512 1.00 25.31 C ATOM 1053 O VAL A 812 -37.035 65.147 -3.561 1.00 72.03 O ATOM 1054 CB VAL A 812 -33.961 64.680 -2.639 1.00 11.42 C ATOM 1055 CG1 VAL A 812 -34.149 66.150 -2.983 1.00 3.24 C ATOM 1056 CG2 VAL A 812 -33.001 64.516 -1.470 1.00 52.11 C ATOM 0 H VAL A 812 -34.205 62.260 -2.086 1.00 2.32 H new ATOM 0 HA VAL A 812 -35.752 64.507 -1.446 1.00 4.34 H new ATOM 0 HB VAL A 812 -33.529 64.181 -3.506 1.00 11.42 H new ATOM 0 HG11 VAL A 812 -33.181 66.598 -3.205 1.00 3.24 H new ATOM 0 HG12 VAL A 812 -34.799 66.240 -3.853 1.00 3.24 H new ATOM 0 HG13 VAL A 812 -34.602 66.667 -2.137 1.00 3.24 H new ATOM 0 HG21 VAL A 812 -32.048 64.987 -1.713 1.00 52.11 H new ATOM 0 HG22 VAL A 812 -33.424 64.988 -0.583 1.00 52.11 H new ATOM 0 HG23 VAL A 812 -32.842 63.455 -1.275 1.00 52.11 H new ATOM 1066 N ASN A 813 -36.157 63.287 -4.472 1.00 31.25 N ATOM 1067 CA ASN A 813 -36.993 63.344 -5.665 1.00 74.20 C ATOM 1068 C ASN A 813 -38.459 63.108 -5.314 1.00 32.50 C ATOM 1069 O ASN A 813 -39.356 63.704 -5.912 1.00 31.32 O ATOM 1070 CB ASN A 813 -36.529 62.306 -6.689 1.00 22.14 C ATOM 1071 CG ASN A 813 -37.228 62.459 -8.026 1.00 0.24 C ATOM 1072 OD1 ASN A 813 -38.457 62.447 -8.101 1.00 43.40 O ATOM 1073 ND2 ASN A 813 -36.446 62.604 -9.089 1.00 22.20 N ATOM 0 H ASN A 813 -35.511 62.498 -4.447 1.00 31.25 H new ATOM 0 HA ASN A 813 -36.897 64.340 -6.098 1.00 74.20 H new ATOM 0 HB2 ASN A 813 -35.452 62.398 -6.833 1.00 22.14 H new ATOM 0 HB3 ASN A 813 -36.714 61.306 -6.298 1.00 22.14 H new ATOM 0 HD21 ASN A 813 -36.859 62.711 -10.015 1.00 22.20 H new ATOM 0 HD22 ASN A 813 -35.432 62.608 -8.979 1.00 22.20 H new ATOM 1080 N LEU A 814 -38.695 62.235 -4.341 1.00 34.23 N ATOM 1081 CA LEU A 814 -40.053 61.920 -3.908 1.00 64.55 C ATOM 1082 C LEU A 814 -40.668 63.091 -3.149 1.00 72.44 C ATOM 1083 O LEU A 814 -41.831 63.439 -3.360 1.00 62.40 O ATOM 1084 CB LEU A 814 -40.051 60.670 -3.026 1.00 64.35 C ATOM 1085 CG LEU A 814 -41.362 59.886 -2.971 1.00 32.45 C ATOM 1086 CD1 LEU A 814 -41.500 58.987 -4.190 1.00 44.40 C ATOM 1087 CD2 LEU A 814 -41.439 59.066 -1.691 1.00 33.03 C ATOM 0 H LEU A 814 -37.964 61.733 -3.837 1.00 34.23 H new ATOM 0 HA LEU A 814 -40.656 61.730 -4.796 1.00 64.55 H new ATOM 0 HB2 LEU A 814 -39.266 60.002 -3.379 1.00 64.35 H new ATOM 0 HB3 LEU A 814 -39.785 60.966 -2.011 1.00 64.35 H new ATOM 0 HG LEU A 814 -42.188 60.597 -2.975 1.00 32.45 H new ATOM 0 HD11 LEU A 814 -42.439 58.437 -4.132 1.00 44.40 H new ATOM 0 HD12 LEU A 814 -41.491 59.596 -5.094 1.00 44.40 H new ATOM 0 HD13 LEU A 814 -40.669 58.283 -4.219 1.00 44.40 H new ATOM 0 HD21 LEU A 814 -42.379 58.514 -1.668 1.00 33.03 H new ATOM 0 HD22 LEU A 814 -40.605 58.364 -1.658 1.00 33.03 H new ATOM 0 HD23 LEU A 814 -41.388 59.731 -0.829 1.00 33.03 H new ATOM 1099 N LEU A 815 -39.881 63.696 -2.267 1.00 41.33 N ATOM 1100 CA LEU A 815 -40.347 64.831 -1.478 1.00 35.22 C ATOM 1101 C LEU A 815 -40.685 66.017 -2.375 1.00 60.14 C ATOM 1102 O LEU A 815 -41.768 66.593 -2.279 1.00 22.33 O ATOM 1103 CB LEU A 815 -39.285 65.237 -0.455 1.00 31.22 C ATOM 1104 CG LEU A 815 -39.094 64.286 0.727 1.00 3.14 C ATOM 1105 CD1 LEU A 815 -37.785 64.582 1.443 1.00 21.55 C ATOM 1106 CD2 LEU A 815 -40.267 64.391 1.691 1.00 24.13 C ATOM 0 H LEU A 815 -38.917 63.420 -2.080 1.00 41.33 H new ATOM 0 HA LEU A 815 -41.252 64.528 -0.952 1.00 35.22 H new ATOM 0 HB2 LEU A 815 -38.331 65.338 -0.972 1.00 31.22 H new ATOM 0 HB3 LEU A 815 -39.542 66.222 -0.065 1.00 31.22 H new ATOM 0 HG LEU A 815 -39.054 63.266 0.346 1.00 3.14 H new ATOM 0 HD11 LEU A 815 -37.666 63.896 2.281 1.00 21.55 H new ATOM 0 HD12 LEU A 815 -36.954 64.455 0.749 1.00 21.55 H new ATOM 0 HD13 LEU A 815 -37.796 65.607 1.812 1.00 21.55 H new ATOM 0 HD21 LEU A 815 -40.114 63.707 2.526 1.00 24.13 H new ATOM 0 HD22 LEU A 815 -40.339 65.412 2.066 1.00 24.13 H new ATOM 0 HD23 LEU A 815 -41.189 64.129 1.172 1.00 24.13 H new ATOM 1118 N ASN A 816 -39.751 66.375 -3.250 1.00 44.21 N ATOM 1119 CA ASN A 816 -39.950 67.492 -4.167 1.00 23.12 C ATOM 1120 C ASN A 816 -41.146 67.240 -5.079 1.00 70.25 C ATOM 1121 O ASN A 816 -42.095 68.022 -5.106 1.00 14.43 O ATOM 1122 CB ASN A 816 -38.692 67.719 -5.007 1.00 43.35 C ATOM 1123 CG ASN A 816 -38.357 69.190 -5.161 1.00 51.40 C ATOM 1124 OD1 ASN A 816 -39.247 70.030 -5.300 1.00 60.43 O ATOM 1125 ND2 ASN A 816 -37.068 69.510 -5.136 1.00 73.45 N ATOM 0 H ASN A 816 -38.849 65.908 -3.344 1.00 44.21 H new ATOM 0 HA ASN A 816 -40.149 68.385 -3.575 1.00 23.12 H new ATOM 0 HB2 ASN A 816 -37.851 67.204 -4.543 1.00 43.35 H new ATOM 0 HB3 ASN A 816 -38.832 67.276 -5.993 1.00 43.35 H new ATOM 0 HD21 ASN A 816 -36.782 70.484 -5.234 1.00 73.45 H new ATOM 0 HD22 ASN A 816 -36.364 68.781 -5.019 1.00 73.45 H new ATOM 1132 N ALA A 817 -41.093 66.142 -5.826 1.00 63.41 N ATOM 1133 CA ALA A 817 -42.172 65.785 -6.738 1.00 34.41 C ATOM 1134 C ALA A 817 -43.524 65.828 -6.033 1.00 3.25 C ATOM 1135 O ALA A 817 -44.506 66.329 -6.580 1.00 75.34 O ATOM 1136 CB ALA A 817 -41.928 64.405 -7.330 1.00 74.52 C ATOM 0 H ALA A 817 -40.314 65.484 -5.817 1.00 63.41 H new ATOM 0 HA ALA A 817 -42.189 66.517 -7.545 1.00 34.41 H new ATOM 0 HB1 ALA A 817 -42.742 64.151 -8.009 1.00 74.52 H new ATOM 0 HB2 ALA A 817 -40.985 64.405 -7.877 1.00 74.52 H new ATOM 0 HB3 ALA A 817 -41.882 63.668 -6.528 1.00 74.52 H new ATOM 1142 N THR A 818 -43.567 65.300 -4.813 1.00 50.12 N ATOM 1143 CA THR A 818 -44.798 65.277 -4.034 1.00 11.04 C ATOM 1144 C THR A 818 -45.279 66.690 -3.723 1.00 22.10 C ATOM 1145 O THR A 818 -46.471 66.982 -3.805 1.00 34.01 O ATOM 1146 CB THR A 818 -44.612 64.508 -2.712 1.00 2.21 C ATOM 1147 OG1 THR A 818 -44.372 63.122 -2.981 1.00 12.31 O ATOM 1148 CG2 THR A 818 -45.839 64.653 -1.824 1.00 44.00 C ATOM 0 H THR A 818 -42.763 64.883 -4.344 1.00 50.12 H new ATOM 0 HA THR A 818 -45.546 64.767 -4.641 1.00 11.04 H new ATOM 0 HB THR A 818 -43.754 64.930 -2.189 1.00 2.21 H new ATOM 0 HG1 THR A 818 -43.424 62.920 -2.837 1.00 12.31 H new ATOM 0 HG21 THR A 818 -45.684 64.102 -0.897 1.00 44.00 H new ATOM 0 HG22 THR A 818 -46.001 65.707 -1.597 1.00 44.00 H new ATOM 0 HG23 THR A 818 -46.712 64.255 -2.341 1.00 44.00 H new ATOM 1156 N ALA A 819 -44.343 67.563 -3.367 1.00 3.52 N ATOM 1157 CA ALA A 819 -44.671 68.947 -3.047 1.00 11.13 C ATOM 1158 C ALA A 819 -45.237 69.672 -4.263 1.00 13.43 C ATOM 1159 O ALA A 819 -46.178 70.458 -4.146 1.00 33.02 O ATOM 1160 CB ALA A 819 -43.442 69.673 -2.522 1.00 4.44 C ATOM 0 H ALA A 819 -43.351 67.337 -3.293 1.00 3.52 H new ATOM 0 HA ALA A 819 -45.436 68.943 -2.270 1.00 11.13 H new ATOM 0 HB1 ALA A 819 -43.702 70.705 -2.287 1.00 4.44 H new ATOM 0 HB2 ALA A 819 -43.083 69.175 -1.621 1.00 4.44 H new ATOM 0 HB3 ALA A 819 -42.660 69.659 -3.281 1.00 4.44 H new ATOM 1166 N ILE A 820 -44.658 69.405 -5.428 1.00 72.42 N ATOM 1167 CA ILE A 820 -45.106 70.032 -6.665 1.00 71.02 C ATOM 1168 C ILE A 820 -46.499 69.547 -7.054 1.00 44.45 C ATOM 1169 O ILE A 820 -47.310 70.312 -7.575 1.00 11.31 O ATOM 1170 CB ILE A 820 -44.133 69.748 -7.825 1.00 32.01 C ATOM 1171 CG1 ILE A 820 -42.732 70.255 -7.479 1.00 65.31 C ATOM 1172 CG2 ILE A 820 -44.635 70.395 -9.107 1.00 63.44 C ATOM 1173 CD1 ILE A 820 -42.692 71.723 -7.118 1.00 43.13 C ATOM 0 H ILE A 820 -43.877 68.758 -5.541 1.00 72.42 H new ATOM 0 HA ILE A 820 -45.136 71.106 -6.482 1.00 71.02 H new ATOM 0 HB ILE A 820 -44.081 68.671 -7.981 1.00 32.01 H new ATOM 0 HG12 ILE A 820 -42.340 69.673 -6.645 1.00 65.31 H new ATOM 0 HG13 ILE A 820 -42.071 70.080 -8.328 1.00 65.31 H new ATOM 0 HG21 ILE A 820 -43.937 70.186 -9.918 1.00 63.44 H new ATOM 0 HG22 ILE A 820 -45.615 69.991 -9.359 1.00 63.44 H new ATOM 0 HG23 ILE A 820 -44.713 71.473 -8.964 1.00 63.44 H new ATOM 0 HD11 ILE A 820 -41.667 72.012 -6.885 1.00 43.13 H new ATOM 0 HD12 ILE A 820 -43.054 72.315 -7.959 1.00 43.13 H new ATOM 0 HD13 ILE A 820 -43.326 71.902 -6.250 1.00 43.13 H new ATOM 1185 N ALA A 821 -46.769 68.272 -6.797 1.00 22.11 N ATOM 1186 CA ALA A 821 -48.065 67.686 -7.117 1.00 25.14 C ATOM 1187 C ALA A 821 -49.117 68.088 -6.089 1.00 74.13 C ATOM 1188 O ALA A 821 -50.309 68.139 -6.394 1.00 70.11 O ATOM 1189 CB ALA A 821 -47.953 66.170 -7.196 1.00 13.52 C ATOM 0 H ALA A 821 -46.108 67.625 -6.368 1.00 22.11 H new ATOM 0 HA ALA A 821 -48.380 68.067 -8.088 1.00 25.14 H new ATOM 0 HB1 ALA A 821 -48.928 65.745 -7.436 1.00 13.52 H new ATOM 0 HB2 ALA A 821 -47.238 65.898 -7.972 1.00 13.52 H new ATOM 0 HB3 ALA A 821 -47.613 65.780 -6.237 1.00 13.52 H new ATOM 1195 N VAL A 822 -48.670 68.372 -4.870 1.00 40.23 N ATOM 1196 CA VAL A 822 -49.574 68.770 -3.798 1.00 2.23 C ATOM 1197 C VAL A 822 -49.829 70.273 -3.823 1.00 42.12 C ATOM 1198 O VAL A 822 -50.868 70.745 -3.362 1.00 61.54 O ATOM 1199 CB VAL A 822 -49.013 68.379 -2.417 1.00 55.04 C ATOM 1200 CG1 VAL A 822 -49.876 68.959 -1.307 1.00 32.31 C ATOM 1201 CG2 VAL A 822 -48.914 66.866 -2.292 1.00 55.23 C ATOM 0 H VAL A 822 -47.687 68.334 -4.600 1.00 40.23 H new ATOM 0 HA VAL A 822 -50.513 68.242 -3.964 1.00 2.23 H new ATOM 0 HB VAL A 822 -48.010 68.795 -2.320 1.00 55.04 H new ATOM 0 HG11 VAL A 822 -49.465 68.673 -0.339 1.00 32.31 H new ATOM 0 HG12 VAL A 822 -49.891 70.046 -1.388 1.00 32.31 H new ATOM 0 HG13 VAL A 822 -50.892 68.575 -1.398 1.00 32.31 H new ATOM 0 HG21 VAL A 822 -48.516 66.607 -1.311 1.00 55.23 H new ATOM 0 HG22 VAL A 822 -49.904 66.426 -2.410 1.00 55.23 H new ATOM 0 HG23 VAL A 822 -48.251 66.480 -3.066 1.00 55.23 H new ATOM 1211 N ALA A 823 -48.873 71.021 -4.366 1.00 32.35 N ATOM 1212 CA ALA A 823 -48.995 72.470 -4.454 1.00 11.52 C ATOM 1213 C ALA A 823 -49.761 72.882 -5.707 1.00 23.22 C ATOM 1214 O ALA A 823 -50.312 73.980 -5.775 1.00 70.33 O ATOM 1215 CB ALA A 823 -47.618 73.118 -4.438 1.00 33.12 C ATOM 0 H ALA A 823 -48.006 70.646 -4.751 1.00 32.35 H new ATOM 0 HA ALA A 823 -49.557 72.815 -3.586 1.00 11.52 H new ATOM 0 HB1 ALA A 823 -47.725 74.201 -4.504 1.00 33.12 H new ATOM 0 HB2 ALA A 823 -47.105 72.860 -3.511 1.00 33.12 H new ATOM 0 HB3 ALA A 823 -47.037 72.758 -5.287 1.00 33.12 H new ATOM 1243 N THR A 826 -55.373 72.559 -4.955 1.00 12.35 N ATOM 1244 CA THR A 826 -55.889 73.110 -3.708 1.00 15.11 C ATOM 1245 C THR A 826 -56.674 72.062 -2.927 1.00 0.11 C ATOM 1246 O THR A 826 -56.914 72.217 -1.729 1.00 42.34 O ATOM 1247 CB THR A 826 -56.797 74.328 -3.965 1.00 61.11 C ATOM 1248 OG1 THR A 826 -56.274 75.109 -5.045 1.00 4.52 O ATOM 1249 CG2 THR A 826 -56.912 75.190 -2.717 1.00 42.43 C ATOM 0 HA THR A 826 -55.026 73.426 -3.122 1.00 15.11 H new ATOM 0 HB THR A 826 -57.790 73.964 -4.228 1.00 61.11 H new ATOM 0 HG1 THR A 826 -55.624 74.576 -5.549 1.00 4.52 H new ATOM 0 HG21 THR A 826 -57.558 76.044 -2.923 1.00 42.43 H new ATOM 0 HG22 THR A 826 -57.338 74.600 -1.905 1.00 42.43 H new ATOM 0 HG23 THR A 826 -55.923 75.545 -2.427 1.00 42.43 H new ATOM 1257 N ASP A 827 -57.071 70.995 -3.612 1.00 4.13 N ATOM 1258 CA ASP A 827 -57.827 69.920 -2.981 1.00 71.41 C ATOM 1259 C ASP A 827 -57.121 69.423 -1.723 1.00 44.44 C ATOM 1260 O ASP A 827 -57.745 69.250 -0.676 1.00 43.14 O ATOM 1261 CB ASP A 827 -58.023 68.762 -3.961 1.00 41.14 C ATOM 1262 CG ASP A 827 -59.237 68.954 -4.849 1.00 0.11 C ATOM 1263 OD1 ASP A 827 -59.680 70.111 -5.005 1.00 34.23 O ATOM 1264 OD2 ASP A 827 -59.744 67.947 -5.387 1.00 12.42 O ATOM 0 H ASP A 827 -56.882 70.852 -4.604 1.00 4.13 H new ATOM 0 HA ASP A 827 -58.802 70.315 -2.696 1.00 71.41 H new ATOM 0 HB2 ASP A 827 -57.134 68.662 -4.583 1.00 41.14 H new ATOM 0 HB3 ASP A 827 -58.128 67.832 -3.403 1.00 41.14 H new ATOM 1269 N ARG A 828 -55.816 69.196 -1.834 1.00 70.35 N ATOM 1270 CA ARG A 828 -55.025 68.717 -0.707 1.00 52.10 C ATOM 1271 C ARG A 828 -55.089 69.700 0.458 1.00 11.22 C ATOM 1272 O ARG A 828 -55.338 69.311 1.599 1.00 3.45 O ATOM 1273 CB ARG A 828 -53.571 68.505 -1.130 1.00 45.24 C ATOM 1274 CG ARG A 828 -52.870 67.394 -0.366 1.00 64.24 C ATOM 1275 CD ARG A 828 -53.512 66.042 -0.636 1.00 24.12 C ATOM 1276 NE ARG A 828 -52.706 64.940 -0.117 1.00 3.01 N ATOM 1277 CZ ARG A 828 -53.009 63.659 -0.297 1.00 1.40 C ATOM 1278 NH1 ARG A 828 -54.094 63.321 -0.980 1.00 1.21 N ATOM 1279 NH2 ARG A 828 -52.226 62.714 0.206 1.00 23.22 N ATOM 0 H ARG A 828 -55.284 69.336 -2.693 1.00 70.35 H new ATOM 0 HA ARG A 828 -55.443 67.765 -0.380 1.00 52.10 H new ATOM 0 HB2 ARG A 828 -53.541 68.277 -2.195 1.00 45.24 H new ATOM 0 HB3 ARG A 828 -53.021 69.435 -0.988 1.00 45.24 H new ATOM 0 HG2 ARG A 828 -51.818 67.362 -0.651 1.00 64.24 H new ATOM 0 HG3 ARG A 828 -52.904 67.608 0.702 1.00 64.24 H new ATOM 0 HD2 ARG A 828 -54.502 66.013 -0.180 1.00 24.12 H new ATOM 0 HD3 ARG A 828 -53.652 65.915 -1.710 1.00 24.12 H new ATOM 0 HE ARG A 828 -51.864 65.166 0.413 1.00 3.01 H new ATOM 0 HH11 ARG A 828 -54.698 64.045 -1.369 1.00 1.21 H new ATOM 0 HH12 ARG A 828 -54.324 62.337 -1.117 1.00 1.21 H new ATOM 0 HH21 ARG A 828 -51.390 62.970 0.732 1.00 23.22 H new ATOM 0 HH22 ARG A 828 -52.460 61.731 0.067 1.00 23.22 H new ATOM 1293 N VAL A 829 -54.862 70.976 0.162 1.00 13.23 N ATOM 1294 CA VAL A 829 -54.895 72.015 1.184 1.00 4.44 C ATOM 1295 C VAL A 829 -56.222 72.008 1.934 1.00 21.33 C ATOM 1296 O VAL A 829 -56.260 71.796 3.147 1.00 51.52 O ATOM 1297 CB VAL A 829 -54.671 73.411 0.573 1.00 50.31 C ATOM 1298 CG1 VAL A 829 -54.578 74.465 1.666 1.00 24.32 C ATOM 1299 CG2 VAL A 829 -53.421 73.419 -0.294 1.00 72.42 C ATOM 0 H VAL A 829 -54.653 71.315 -0.777 1.00 13.23 H new ATOM 0 HA VAL A 829 -54.086 71.797 1.881 1.00 4.44 H new ATOM 0 HB VAL A 829 -55.526 73.652 -0.059 1.00 50.31 H new ATOM 0 HG11 VAL A 829 -54.420 75.444 1.214 1.00 24.32 H new ATOM 0 HG12 VAL A 829 -55.504 74.476 2.241 1.00 24.32 H new ATOM 0 HG13 VAL A 829 -53.743 74.231 2.327 1.00 24.32 H new ATOM 0 HG21 VAL A 829 -53.278 74.413 -0.718 1.00 72.42 H new ATOM 0 HG22 VAL A 829 -52.555 73.156 0.314 1.00 72.42 H new ATOM 0 HG23 VAL A 829 -53.533 72.694 -1.100 1.00 72.42 H new ATOM 1309 N ILE A 830 -57.308 72.239 1.205 1.00 33.11 N ATOM 1310 CA ILE A 830 -58.638 72.257 1.801 1.00 33.13 C ATOM 1311 C ILE A 830 -58.957 70.926 2.475 1.00 41.32 C ATOM 1312 O ILE A 830 -59.677 70.881 3.472 1.00 42.33 O ATOM 1313 CB ILE A 830 -59.722 72.560 0.750 1.00 34.12 C ATOM 1314 CG1 ILE A 830 -61.057 72.861 1.435 1.00 74.33 C ATOM 1315 CG2 ILE A 830 -59.867 71.392 -0.214 1.00 24.11 C ATOM 1316 CD1 ILE A 830 -61.806 74.020 0.815 1.00 32.04 C ATOM 0 H ILE A 830 -57.293 72.416 0.201 1.00 33.11 H new ATOM 0 HA ILE A 830 -58.637 73.050 2.549 1.00 33.13 H new ATOM 0 HB ILE A 830 -59.420 73.439 0.181 1.00 34.12 H new ATOM 0 HG12 ILE A 830 -61.685 71.971 1.396 1.00 74.33 H new ATOM 0 HG13 ILE A 830 -60.875 73.078 2.488 1.00 74.33 H new ATOM 0 HG21 ILE A 830 -60.637 71.622 -0.951 1.00 24.11 H new ATOM 0 HG22 ILE A 830 -58.918 71.220 -0.722 1.00 24.11 H new ATOM 0 HG23 ILE A 830 -60.150 70.497 0.339 1.00 24.11 H new ATOM 0 HD11 ILE A 830 -62.742 74.176 1.351 1.00 32.04 H new ATOM 0 HD12 ILE A 830 -61.197 74.922 0.877 1.00 32.04 H new ATOM 0 HD13 ILE A 830 -62.019 73.798 -0.231 1.00 32.04 H new ATOM 1328 N GLU A 831 -58.414 69.845 1.924 1.00 50.34 N ATOM 1329 CA GLU A 831 -58.640 68.513 2.472 1.00 11.44 C ATOM 1330 C GLU A 831 -58.080 68.406 3.888 1.00 71.11 C ATOM 1331 O GLU A 831 -58.734 67.878 4.788 1.00 42.32 O ATOM 1332 CB GLU A 831 -57.998 67.452 1.576 1.00 0.42 C ATOM 1333 CG GLU A 831 -58.122 66.039 2.121 1.00 51.42 C ATOM 1334 CD GLU A 831 -58.014 64.985 1.037 1.00 72.34 C ATOM 1335 OE1 GLU A 831 -58.885 64.091 0.988 1.00 11.35 O ATOM 1336 OE2 GLU A 831 -57.058 65.054 0.236 1.00 71.40 O ATOM 0 H GLU A 831 -57.815 69.866 1.099 1.00 50.34 H new ATOM 0 HA GLU A 831 -59.716 68.342 2.511 1.00 11.44 H new ATOM 0 HB2 GLU A 831 -58.460 67.494 0.590 1.00 0.42 H new ATOM 0 HB3 GLU A 831 -56.943 67.690 1.444 1.00 0.42 H new ATOM 0 HG2 GLU A 831 -57.343 65.871 2.865 1.00 51.42 H new ATOM 0 HG3 GLU A 831 -59.079 65.933 2.632 1.00 51.42 H new ATOM 1343 N VAL A 832 -56.865 68.910 4.077 1.00 64.31 N ATOM 1344 CA VAL A 832 -56.216 68.871 5.382 1.00 44.41 C ATOM 1345 C VAL A 832 -56.880 69.839 6.355 1.00 42.34 C ATOM 1346 O VAL A 832 -57.047 69.533 7.536 1.00 63.01 O ATOM 1347 CB VAL A 832 -54.718 69.216 5.274 1.00 32.44 C ATOM 1348 CG1 VAL A 832 -54.063 69.185 6.647 1.00 71.42 C ATOM 1349 CG2 VAL A 832 -54.019 68.260 4.319 1.00 34.23 C ATOM 0 H VAL A 832 -56.310 69.350 3.343 1.00 64.31 H new ATOM 0 HA VAL A 832 -56.321 67.853 5.758 1.00 44.41 H new ATOM 0 HB VAL A 832 -54.623 70.226 4.875 1.00 32.44 H new ATOM 0 HG11 VAL A 832 -53.005 69.431 6.551 1.00 71.42 H new ATOM 0 HG12 VAL A 832 -54.547 69.913 7.298 1.00 71.42 H new ATOM 0 HG13 VAL A 832 -54.166 68.189 7.077 1.00 71.42 H new ATOM 0 HG21 VAL A 832 -52.962 68.518 4.255 1.00 34.23 H new ATOM 0 HG22 VAL A 832 -54.121 67.239 4.686 1.00 34.23 H new ATOM 0 HG23 VAL A 832 -54.472 68.337 3.331 1.00 34.23 H new ATOM 1359 N LEU A 833 -57.258 71.009 5.851 1.00 62.01 N ATOM 1360 CA LEU A 833 -57.905 72.024 6.675 1.00 34.41 C ATOM 1361 C LEU A 833 -59.248 71.524 7.199 1.00 51.11 C ATOM 1362 O LEU A 833 -59.555 71.667 8.382 1.00 1.10 O ATOM 1363 CB LEU A 833 -58.105 73.310 5.872 1.00 10.10 C ATOM 1364 CG LEU A 833 -58.180 74.604 6.684 1.00 23.51 C ATOM 1365 CD1 LEU A 833 -59.391 74.588 7.603 1.00 33.41 C ATOM 1366 CD2 LEU A 833 -56.902 74.804 7.486 1.00 11.13 C ATOM 0 H LEU A 833 -57.128 71.278 4.876 1.00 62.01 H new ATOM 0 HA LEU A 833 -57.258 72.232 7.527 1.00 34.41 H new ATOM 0 HB2 LEU A 833 -57.286 73.400 5.158 1.00 10.10 H new ATOM 0 HB3 LEU A 833 -59.024 73.214 5.293 1.00 10.10 H new ATOM 0 HG LEU A 833 -58.286 75.439 5.992 1.00 23.51 H new ATOM 0 HD11 LEU A 833 -59.428 75.517 8.173 1.00 33.41 H new ATOM 0 HD12 LEU A 833 -60.299 74.492 7.007 1.00 33.41 H new ATOM 0 HD13 LEU A 833 -59.316 73.744 8.289 1.00 33.41 H new ATOM 0 HD21 LEU A 833 -56.972 75.729 8.058 1.00 11.13 H new ATOM 0 HD22 LEU A 833 -56.766 73.965 8.168 1.00 11.13 H new ATOM 0 HD23 LEU A 833 -56.051 74.861 6.807 1.00 11.13 H new ATOM 1378 N GLN A 834 -60.043 70.936 6.310 1.00 5.31 N ATOM 1379 CA GLN A 834 -61.352 70.414 6.684 1.00 44.21 C ATOM 1380 C GLN A 834 -61.214 69.138 7.507 1.00 62.41 C ATOM 1381 O GLN A 834 -62.020 68.872 8.397 1.00 33.54 O ATOM 1382 CB GLN A 834 -62.191 70.142 5.435 1.00 71.44 C ATOM 1383 CG GLN A 834 -61.757 68.903 4.668 1.00 22.42 C ATOM 1384 CD GLN A 834 -62.672 68.588 3.501 1.00 22.33 C ATOM 1385 OE1 GLN A 834 -62.430 69.020 2.374 1.00 72.32 O ATOM 1386 NE2 GLN A 834 -63.730 67.831 3.766 1.00 33.31 N ATOM 0 H GLN A 834 -59.803 70.809 5.327 1.00 5.31 H new ATOM 0 HA GLN A 834 -61.854 71.165 7.294 1.00 44.21 H new ATOM 0 HB2 GLN A 834 -63.236 70.031 5.726 1.00 71.44 H new ATOM 0 HB3 GLN A 834 -62.134 71.007 4.774 1.00 71.44 H new ATOM 0 HG2 GLN A 834 -60.741 69.046 4.300 1.00 22.42 H new ATOM 0 HG3 GLN A 834 -61.733 68.050 5.346 1.00 22.42 H new ATOM 0 HE21 GLN A 834 -63.892 67.495 4.715 1.00 33.31 H new ATOM 0 HE22 GLN A 834 -64.381 67.586 3.020 1.00 33.31 H new ATOM 1395 N ALA A 835 -60.187 68.351 7.202 1.00 3.02 N ATOM 1396 CA ALA A 835 -59.942 67.103 7.915 1.00 55.22 C ATOM 1397 C ALA A 835 -59.535 67.367 9.360 1.00 5.22 C ATOM 1398 O ALA A 835 -60.084 66.774 10.288 1.00 25.02 O ATOM 1399 CB ALA A 835 -58.872 66.289 7.203 1.00 52.45 C ATOM 0 H ALA A 835 -59.511 68.556 6.466 1.00 3.02 H new ATOM 0 HA ALA A 835 -60.870 66.531 7.925 1.00 55.22 H new ATOM 0 HB1 ALA A 835 -58.700 65.360 7.747 1.00 52.45 H new ATOM 0 HB2 ALA A 835 -59.203 66.060 6.190 1.00 52.45 H new ATOM 0 HB3 ALA A 835 -57.946 66.862 7.162 1.00 52.45 H new ATOM 1405 N ALA A 836 -58.568 68.260 9.544 1.00 43.44 N ATOM 1406 CA ALA A 836 -58.087 68.603 10.876 1.00 14.54 C ATOM 1407 C ALA A 836 -59.139 69.389 11.653 1.00 24.24 C ATOM 1408 O ALA A 836 -59.401 69.105 12.823 1.00 42.25 O ATOM 1409 CB ALA A 836 -56.794 69.399 10.783 1.00 41.14 C ATOM 0 H ALA A 836 -58.102 68.759 8.786 1.00 43.44 H new ATOM 0 HA ALA A 836 -57.891 67.676 11.414 1.00 14.54 H new ATOM 0 HB1 ALA A 836 -56.447 69.648 11.786 1.00 41.14 H new ATOM 0 HB2 ALA A 836 -56.036 68.804 10.274 1.00 41.14 H new ATOM 0 HB3 ALA A 836 -56.971 70.317 10.222 1.00 41.14 H new ATOM 1415 N TYR A 837 -59.737 70.377 10.997 1.00 22.34 N ATOM 1416 CA TYR A 837 -60.757 71.205 11.628 1.00 14.22 C ATOM 1417 C TYR A 837 -61.933 70.356 12.101 1.00 31.41 C ATOM 1418 O TYR A 837 -62.343 70.432 13.260 1.00 45.55 O ATOM 1419 CB TYR A 837 -61.248 72.277 10.654 1.00 41.34 C ATOM 1420 CG TYR A 837 -62.324 73.171 11.228 1.00 43.11 C ATOM 1421 CD1 TYR A 837 -63.540 73.335 10.576 1.00 62.43 C ATOM 1422 CD2 TYR A 837 -62.124 73.853 12.422 1.00 71.21 C ATOM 1423 CE1 TYR A 837 -64.525 74.151 11.096 1.00 35.32 C ATOM 1424 CE2 TYR A 837 -63.105 74.670 12.951 1.00 64.25 C ATOM 1425 CZ TYR A 837 -64.303 74.816 12.284 1.00 73.30 C ATOM 1426 OH TYR A 837 -65.282 75.630 12.807 1.00 70.34 O ATOM 0 H TYR A 837 -59.533 70.624 10.029 1.00 22.34 H new ATOM 0 HA TYR A 837 -60.309 71.689 12.496 1.00 14.22 H new ATOM 0 HB2 TYR A 837 -60.402 72.892 10.347 1.00 41.34 H new ATOM 0 HB3 TYR A 837 -61.631 71.792 9.756 1.00 41.34 H new ATOM 0 HD1 TYR A 837 -63.718 72.815 9.646 1.00 62.43 H new ATOM 0 HD2 TYR A 837 -61.186 73.743 12.946 1.00 71.21 H new ATOM 0 HE1 TYR A 837 -65.464 74.268 10.576 1.00 35.32 H new ATOM 0 HE2 TYR A 837 -62.934 75.191 13.881 1.00 64.25 H new ATOM 0 HH TYR A 837 -64.966 76.022 13.648 1.00 70.34 H new ATOM 1436 N ARG A 838 -62.471 69.545 11.195 1.00 0.25 N ATOM 1437 CA ARG A 838 -63.600 68.681 11.518 1.00 22.13 C ATOM 1438 C ARG A 838 -63.208 67.643 12.566 1.00 42.11 C ATOM 1439 O ARG A 838 -63.963 67.373 13.500 1.00 43.44 O ATOM 1440 CB ARG A 838 -64.110 67.981 10.258 1.00 74.25 C ATOM 1441 CG ARG A 838 -64.786 68.919 9.271 1.00 44.22 C ATOM 1442 CD ARG A 838 -65.222 68.185 8.013 1.00 63.13 C ATOM 1443 NE ARG A 838 -65.539 69.105 6.924 1.00 13.21 N ATOM 1444 CZ ARG A 838 -66.151 68.736 5.804 1.00 34.25 C ATOM 1445 NH1 ARG A 838 -66.510 67.472 5.627 1.00 33.22 N ATOM 1446 NH2 ARG A 838 -66.406 69.632 4.860 1.00 71.25 N ATOM 0 H ARG A 838 -62.143 69.469 10.232 1.00 0.25 H new ATOM 0 HA ARG A 838 -64.396 69.303 11.928 1.00 22.13 H new ATOM 0 HB2 ARG A 838 -63.274 67.488 9.763 1.00 74.25 H new ATOM 0 HB3 ARG A 838 -64.815 67.201 10.546 1.00 74.25 H new ATOM 0 HG2 ARG A 838 -65.653 69.381 9.743 1.00 44.22 H new ATOM 0 HG3 ARG A 838 -64.101 69.724 9.005 1.00 44.22 H new ATOM 0 HD2 ARG A 838 -64.429 67.507 7.696 1.00 63.13 H new ATOM 0 HD3 ARG A 838 -66.095 67.572 8.235 1.00 63.13 H new ATOM 0 HE ARG A 838 -65.276 70.085 7.029 1.00 13.21 H new ATOM 0 HH11 ARG A 838 -66.316 66.781 6.352 1.00 33.22 H new ATOM 0 HH12 ARG A 838 -66.980 67.191 4.766 1.00 33.22 H new ATOM 0 HH21 ARG A 838 -66.132 70.605 4.993 1.00 71.25 H new ATOM 0 HH22 ARG A 838 -66.876 69.348 4.001 1.00 71.25 H new ATOM 1460 N ALA A 839 -62.023 67.064 12.403 1.00 4.23 N ATOM 1461 CA ALA A 839 -61.530 66.058 13.335 1.00 22.42 C ATOM 1462 C ALA A 839 -61.552 66.579 14.768 1.00 23.42 C ATOM 1463 O ALA A 839 -62.189 65.991 15.642 1.00 31.35 O ATOM 1464 CB ALA A 839 -60.123 65.626 12.950 1.00 24.30 C ATOM 0 H ALA A 839 -61.387 67.275 11.634 1.00 4.23 H new ATOM 0 HA ALA A 839 -62.191 65.193 13.281 1.00 22.42 H new ATOM 0 HB1 ALA A 839 -59.768 64.874 13.655 1.00 24.30 H new ATOM 0 HB2 ALA A 839 -60.134 65.204 11.945 1.00 24.30 H new ATOM 0 HB3 ALA A 839 -59.458 66.489 12.974 1.00 24.30 H new ATOM 1470 N ILE A 840 -60.852 67.683 15.002 1.00 44.52 N ATOM 1471 CA ILE A 840 -60.792 68.283 16.329 1.00 23.11 C ATOM 1472 C ILE A 840 -62.151 68.834 16.745 1.00 33.13 C ATOM 1473 O ILE A 840 -62.486 68.859 17.930 1.00 51.13 O ATOM 1474 CB ILE A 840 -59.751 69.417 16.388 1.00 20.33 C ATOM 1475 CG1 ILE A 840 -59.536 69.866 17.835 1.00 52.20 C ATOM 1476 CG2 ILE A 840 -60.194 70.588 15.524 1.00 21.11 C ATOM 1477 CD1 ILE A 840 -58.669 68.923 18.639 1.00 60.45 C ATOM 0 H ILE A 840 -60.318 68.181 14.290 1.00 44.52 H new ATOM 0 HA ILE A 840 -60.496 67.493 17.019 1.00 23.11 H new ATOM 0 HB ILE A 840 -58.804 69.042 15.999 1.00 20.33 H new ATOM 0 HG12 ILE A 840 -59.079 70.856 17.835 1.00 52.20 H new ATOM 0 HG13 ILE A 840 -60.505 69.962 18.325 1.00 52.20 H new ATOM 0 HG21 ILE A 840 -59.448 71.381 15.576 1.00 21.11 H new ATOM 0 HG22 ILE A 840 -60.301 70.258 14.491 1.00 21.11 H new ATOM 0 HG23 ILE A 840 -61.151 70.965 15.885 1.00 21.11 H new ATOM 0 HD11 ILE A 840 -58.560 69.305 19.654 1.00 60.45 H new ATOM 0 HD12 ILE A 840 -59.134 67.938 18.670 1.00 60.45 H new ATOM 0 HD13 ILE A 840 -57.687 68.846 18.173 1.00 60.45 H new ATOM 1489 N ARG A 841 -62.932 69.273 15.763 1.00 23.21 N ATOM 1490 CA ARG A 841 -64.256 69.823 16.027 1.00 22.21 C ATOM 1491 C ARG A 841 -65.208 68.736 16.516 1.00 75.31 C ATOM 1492 O ARG A 841 -66.141 69.007 17.274 1.00 44.14 O ATOM 1493 CB ARG A 841 -64.819 70.480 14.766 1.00 51.12 C ATOM 1494 CG ARG A 841 -66.204 71.077 14.957 1.00 71.34 C ATOM 1495 CD ARG A 841 -66.147 72.377 15.744 1.00 71.45 C ATOM 1496 NE ARG A 841 -67.328 73.206 15.517 1.00 62.22 N ATOM 1497 CZ ARG A 841 -67.716 74.173 16.340 1.00 4.15 C ATOM 1498 NH1 ARG A 841 -67.020 74.432 17.439 1.00 22.30 N ATOM 1499 NH2 ARG A 841 -68.801 74.885 16.066 1.00 75.54 N ATOM 0 H ARG A 841 -62.670 69.258 14.777 1.00 23.21 H new ATOM 0 HA ARG A 841 -64.160 70.576 16.809 1.00 22.21 H new ATOM 0 HB2 ARG A 841 -64.136 71.264 14.439 1.00 51.12 H new ATOM 0 HB3 ARG A 841 -64.859 69.739 13.967 1.00 51.12 H new ATOM 0 HG2 ARG A 841 -66.660 71.259 13.984 1.00 71.34 H new ATOM 0 HG3 ARG A 841 -66.841 70.362 15.479 1.00 71.34 H new ATOM 0 HD2 ARG A 841 -66.060 72.154 16.807 1.00 71.45 H new ATOM 0 HD3 ARG A 841 -65.254 72.933 15.461 1.00 71.45 H new ATOM 0 HE ARG A 841 -67.885 73.033 14.680 1.00 62.22 H new ATOM 0 HH11 ARG A 841 -66.184 73.888 17.654 1.00 22.30 H new ATOM 0 HH12 ARG A 841 -67.320 75.175 18.069 1.00 22.30 H new ATOM 0 HH21 ARG A 841 -69.339 74.690 15.222 1.00 75.54 H new ATOM 0 HH22 ARG A 841 -69.097 75.627 16.700 1.00 75.54 H new ATOM 1513 N HIS A 842 -64.968 67.504 16.077 1.00 53.22 N ATOM 1514 CA HIS A 842 -65.805 66.376 16.470 1.00 62.24 C ATOM 1515 C HIS A 842 -65.271 65.720 17.740 1.00 52.13 C ATOM 1516 O HIS A 842 -66.038 65.196 18.548 1.00 11.02 O ATOM 1517 CB HIS A 842 -65.873 65.347 15.341 1.00 71.04 C ATOM 1518 CG HIS A 842 -66.552 65.856 14.107 1.00 52.14 C ATOM 1519 ND1 HIS A 842 -67.389 66.952 14.106 1.00 44.42 N ATOM 1520 CD2 HIS A 842 -66.513 65.413 12.828 1.00 15.31 C ATOM 1521 CE1 HIS A 842 -67.836 67.161 12.881 1.00 73.15 C ATOM 1522 NE2 HIS A 842 -67.320 66.241 12.086 1.00 62.20 N ATOM 0 H HIS A 842 -64.201 67.262 15.449 1.00 53.22 H new ATOM 0 HA HIS A 842 -66.808 66.752 16.670 1.00 62.24 H new ATOM 0 HB2 HIS A 842 -64.861 65.033 15.086 1.00 71.04 H new ATOM 0 HB3 HIS A 842 -66.401 64.463 15.698 1.00 71.04 H new ATOM 0 HD2 HIS A 842 -65.952 64.567 12.460 1.00 15.31 H new ATOM 0 HE1 HIS A 842 -68.509 67.950 12.580 1.00 73.15 H new ATOM 0 HE2 HIS A 842 -67.493 66.159 11.084 1.00 62.20 H new ATOM 1630 N ARG A 848 -52.140 70.127 20.280 1.00 53.23 N ATOM 1631 CA ARG A 848 -50.741 70.016 19.887 1.00 43.12 C ATOM 1632 C ARG A 848 -50.616 69.461 18.471 1.00 41.32 C ATOM 1633 O ARG A 848 -49.632 69.719 17.778 1.00 22.02 O ATOM 1634 CB ARG A 848 -49.984 69.118 20.867 1.00 64.34 C ATOM 1635 CG ARG A 848 -48.472 69.240 20.762 1.00 12.30 C ATOM 1636 CD ARG A 848 -47.780 68.651 21.981 1.00 62.42 C ATOM 1637 NE ARG A 848 -46.462 69.241 22.201 1.00 72.23 N ATOM 1638 CZ ARG A 848 -45.698 68.962 23.251 1.00 52.10 C ATOM 1639 NH1 ARG A 848 -46.118 68.106 24.172 1.00 14.22 N ATOM 1640 NH2 ARG A 848 -44.511 69.540 23.381 1.00 23.30 N ATOM 0 HA ARG A 848 -50.304 71.014 19.907 1.00 43.12 H new ATOM 0 HB2 ARG A 848 -50.290 69.365 21.884 1.00 64.34 H new ATOM 0 HB3 ARG A 848 -50.269 68.081 20.691 1.00 64.34 H new ATOM 0 HG2 ARG A 848 -48.126 68.729 19.863 1.00 12.30 H new ATOM 0 HG3 ARG A 848 -48.197 70.290 20.658 1.00 12.30 H new ATOM 0 HD2 ARG A 848 -48.401 68.811 22.863 1.00 62.42 H new ATOM 0 HD3 ARG A 848 -47.678 67.573 21.854 1.00 62.42 H new ATOM 0 HE ARG A 848 -46.109 69.904 21.510 1.00 72.23 H new ATOM 0 HH11 ARG A 848 -47.030 67.660 24.075 1.00 14.22 H new ATOM 0 HH12 ARG A 848 -45.529 67.894 24.977 1.00 14.22 H new ATOM 0 HH21 ARG A 848 -44.185 70.199 22.674 1.00 23.30 H new ATOM 0 HH22 ARG A 848 -43.925 69.325 24.188 1.00 23.30 H new ATOM 1654 N GLN A 849 -51.619 68.699 18.049 1.00 75.10 N ATOM 1655 CA GLN A 849 -51.621 68.107 16.716 1.00 3.04 C ATOM 1656 C GLN A 849 -51.365 69.167 15.650 1.00 61.21 C ATOM 1657 O GLN A 849 -50.514 68.992 14.779 1.00 40.34 O ATOM 1658 CB GLN A 849 -52.954 67.407 16.447 1.00 0.24 C ATOM 1659 CG GLN A 849 -52.991 66.656 15.126 1.00 31.03 C ATOM 1660 CD GLN A 849 -52.055 65.464 15.106 1.00 33.55 C ATOM 1661 OE1 GLN A 849 -51.239 65.315 14.196 1.00 15.02 O ATOM 1662 NE2 GLN A 849 -52.168 64.605 16.113 1.00 11.35 N ATOM 0 H GLN A 849 -52.441 68.477 18.610 1.00 75.10 H new ATOM 0 HA GLN A 849 -50.818 67.371 16.671 1.00 3.04 H new ATOM 0 HB2 GLN A 849 -53.158 66.708 17.258 1.00 0.24 H new ATOM 0 HB3 GLN A 849 -53.753 68.149 16.456 1.00 0.24 H new ATOM 0 HG2 GLN A 849 -54.009 66.317 14.934 1.00 31.03 H new ATOM 0 HG3 GLN A 849 -52.724 67.337 14.318 1.00 31.03 H new ATOM 0 HE21 GLN A 849 -52.858 64.767 16.847 1.00 11.35 H new ATOM 0 HE22 GLN A 849 -51.565 63.783 16.153 1.00 11.35 H new ATOM 1671 N GLY A 850 -52.108 70.267 15.725 1.00 73.31 N ATOM 1672 CA GLY A 850 -51.947 71.338 14.760 1.00 51.33 C ATOM 1673 C GLY A 850 -50.616 72.050 14.900 1.00 12.15 C ATOM 1674 O GLY A 850 -49.957 72.353 13.905 1.00 70.31 O ATOM 0 H GLY A 850 -52.819 70.435 16.437 1.00 73.31 H new ATOM 0 HA2 GLY A 850 -52.034 70.931 13.753 1.00 51.33 H new ATOM 0 HA3 GLY A 850 -52.756 72.058 14.883 1.00 51.33 H new ATOM 1678 N LEU A 851 -50.220 72.320 16.139 1.00 2.13 N ATOM 1679 CA LEU A 851 -48.959 73.003 16.407 1.00 22.24 C ATOM 1680 C LEU A 851 -47.799 72.299 15.710 1.00 32.52 C ATOM 1681 O LEU A 851 -46.989 72.935 15.037 1.00 33.20 O ATOM 1682 CB LEU A 851 -48.701 73.066 17.914 1.00 65.12 C ATOM 1683 CG LEU A 851 -49.533 74.083 18.695 1.00 31.35 C ATOM 1684 CD1 LEU A 851 -49.386 73.856 20.192 1.00 62.30 C ATOM 1685 CD2 LEU A 851 -49.126 75.502 18.327 1.00 64.22 C ATOM 0 H LEU A 851 -50.754 72.077 16.974 1.00 2.13 H new ATOM 0 HA LEU A 851 -49.033 74.017 16.014 1.00 22.24 H new ATOM 0 HB2 LEU A 851 -48.883 72.077 18.335 1.00 65.12 H new ATOM 0 HB3 LEU A 851 -47.646 73.291 18.073 1.00 65.12 H new ATOM 0 HG LEU A 851 -50.581 73.947 18.428 1.00 31.35 H new ATOM 0 HD11 LEU A 851 -49.985 74.589 20.732 1.00 62.30 H new ATOM 0 HD12 LEU A 851 -49.728 72.852 20.443 1.00 62.30 H new ATOM 0 HD13 LEU A 851 -48.339 73.964 20.475 1.00 62.30 H new ATOM 0 HD21 LEU A 851 -49.729 76.212 18.893 1.00 64.22 H new ATOM 0 HD22 LEU A 851 -48.073 75.651 18.564 1.00 64.22 H new ATOM 0 HD23 LEU A 851 -49.284 75.661 17.260 1.00 64.22 H new ATOM 1697 N GLU A 852 -47.728 70.981 15.875 1.00 12.32 N ATOM 1698 CA GLU A 852 -46.668 70.191 15.260 1.00 13.11 C ATOM 1699 C GLU A 852 -46.958 69.949 13.781 1.00 12.45 C ATOM 1700 O GLU A 852 -46.040 69.809 12.973 1.00 34.00 O ATOM 1701 CB GLU A 852 -46.512 68.853 15.986 1.00 55.21 C ATOM 1702 CG GLU A 852 -47.754 67.979 15.925 1.00 40.32 C ATOM 1703 CD GLU A 852 -47.866 67.216 14.620 1.00 73.34 C ATOM 1704 OE1 GLU A 852 -48.967 66.707 14.322 1.00 51.32 O ATOM 1705 OE2 GLU A 852 -46.852 67.127 13.896 1.00 53.02 O ATOM 0 H GLU A 852 -48.391 70.439 16.429 1.00 12.32 H new ATOM 0 HA GLU A 852 -45.737 70.752 15.343 1.00 13.11 H new ATOM 0 HB2 GLU A 852 -45.673 68.309 15.551 1.00 55.21 H new ATOM 0 HB3 GLU A 852 -46.262 69.043 17.030 1.00 55.21 H new ATOM 0 HG2 GLU A 852 -47.738 67.272 16.755 1.00 40.32 H new ATOM 0 HG3 GLU A 852 -48.639 68.602 16.055 1.00 40.32 H new ATOM 1712 N ARG A 853 -48.241 69.902 13.436 1.00 24.51 N ATOM 1713 CA ARG A 853 -48.652 69.675 12.056 1.00 33.00 C ATOM 1714 C ARG A 853 -48.131 70.782 11.145 1.00 51.25 C ATOM 1715 O ARG A 853 -47.717 70.525 10.014 1.00 62.02 O ATOM 1716 CB ARG A 853 -50.177 69.598 11.962 1.00 12.23 C ATOM 1717 CG ARG A 853 -50.697 69.519 10.536 1.00 4.10 C ATOM 1718 CD ARG A 853 -50.140 68.306 9.807 1.00 33.11 C ATOM 1719 NE ARG A 853 -50.552 68.273 8.406 1.00 32.43 N ATOM 1720 CZ ARG A 853 -50.451 67.195 7.636 1.00 42.31 C ATOM 1721 NH1 ARG A 853 -49.954 66.069 8.128 1.00 71.31 N ATOM 1722 NH2 ARG A 853 -50.847 67.243 6.370 1.00 12.35 N ATOM 0 H ARG A 853 -49.013 70.018 14.093 1.00 24.51 H new ATOM 0 HA ARG A 853 -48.226 68.727 11.727 1.00 33.00 H new ATOM 0 HB2 ARG A 853 -50.523 68.724 12.515 1.00 12.23 H new ATOM 0 HB3 ARG A 853 -50.607 70.474 12.448 1.00 12.23 H new ATOM 0 HG2 ARG A 853 -51.786 69.470 10.547 1.00 4.10 H new ATOM 0 HG3 ARG A 853 -50.424 70.426 9.997 1.00 4.10 H new ATOM 0 HD2 ARG A 853 -49.052 68.317 9.865 1.00 33.11 H new ATOM 0 HD3 ARG A 853 -50.477 67.397 10.306 1.00 33.11 H new ATOM 0 HE ARG A 853 -50.938 69.124 7.997 1.00 32.43 H new ATOM 0 HH11 ARG A 853 -49.648 66.029 9.100 1.00 71.31 H new ATOM 0 HH12 ARG A 853 -49.878 65.243 7.534 1.00 71.31 H new ATOM 0 HH21 ARG A 853 -51.229 68.108 5.988 1.00 12.35 H new ATOM 0 HH22 ARG A 853 -50.769 66.415 5.780 1.00 12.35 H new ATOM 1736 N ILE A 854 -48.156 72.013 11.644 1.00 5.10 N ATOM 1737 CA ILE A 854 -47.685 73.159 10.875 1.00 31.40 C ATOM 1738 C ILE A 854 -46.212 73.438 11.151 1.00 44.13 C ATOM 1739 O ILE A 854 -45.700 74.510 10.824 1.00 62.32 O ATOM 1740 CB ILE A 854 -48.504 74.424 11.192 1.00 71.13 C ATOM 1741 CG1 ILE A 854 -48.258 74.869 12.635 1.00 43.44 C ATOM 1742 CG2 ILE A 854 -49.985 74.169 10.956 1.00 73.11 C ATOM 1743 CD1 ILE A 854 -49.017 76.120 13.019 1.00 72.20 C ATOM 0 H ILE A 854 -48.497 72.243 12.577 1.00 5.10 H new ATOM 0 HA ILE A 854 -47.813 72.907 9.822 1.00 31.40 H new ATOM 0 HB ILE A 854 -48.182 75.224 10.525 1.00 71.13 H new ATOM 0 HG12 ILE A 854 -48.541 74.061 13.309 1.00 43.44 H new ATOM 0 HG13 ILE A 854 -47.191 75.043 12.776 1.00 43.44 H new ATOM 0 HG21 ILE A 854 -50.551 75.072 11.184 1.00 73.11 H new ATOM 0 HG22 ILE A 854 -50.145 73.894 9.913 1.00 73.11 H new ATOM 0 HG23 ILE A 854 -50.322 73.357 11.601 1.00 73.11 H new ATOM 0 HD11 ILE A 854 -48.795 76.377 14.055 1.00 72.20 H new ATOM 0 HD12 ILE A 854 -48.717 76.942 12.369 1.00 72.20 H new ATOM 0 HD13 ILE A 854 -50.087 75.944 12.910 1.00 72.20 H new ATOM 1755 N LEU A 855 -45.534 72.467 11.752 1.00 4.14 N ATOM 1756 CA LEU A 855 -44.117 72.607 12.071 1.00 62.02 C ATOM 1757 C LEU A 855 -43.266 71.714 11.173 1.00 12.20 C ATOM 1758 O LEU A 855 -42.365 72.190 10.480 1.00 35.24 O ATOM 1759 CB LEU A 855 -43.867 72.259 13.539 1.00 31.13 C ATOM 1760 CG LEU A 855 -42.459 71.774 13.884 1.00 64.10 C ATOM 1761 CD1 LEU A 855 -41.426 72.826 13.512 1.00 3.30 C ATOM 1762 CD2 LEU A 855 -42.361 71.427 15.362 1.00 2.25 C ATOM 0 H LEU A 855 -45.942 71.574 12.028 1.00 4.14 H new ATOM 0 HA LEU A 855 -43.832 73.644 11.897 1.00 62.02 H new ATOM 0 HB2 LEU A 855 -44.084 73.140 14.142 1.00 31.13 H new ATOM 0 HB3 LEU A 855 -44.578 71.487 13.835 1.00 31.13 H new ATOM 0 HG LEU A 855 -42.254 70.873 13.306 1.00 64.10 H new ATOM 0 HD11 LEU A 855 -40.430 72.463 13.765 1.00 3.30 H new ATOM 0 HD12 LEU A 855 -41.479 73.025 12.442 1.00 3.30 H new ATOM 0 HD13 LEU A 855 -41.628 73.745 14.062 1.00 3.30 H new ATOM 0 HD21 LEU A 855 -41.352 71.084 15.589 1.00 2.25 H new ATOM 0 HD22 LEU A 855 -42.587 72.311 15.959 1.00 2.25 H new ATOM 0 HD23 LEU A 855 -43.074 70.638 15.598 1.00 2.25 H new