USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 575 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 SER OG : rot -164:sc= 0.285 USER MOD Set 1.2: A 98 LYS NZ :NH3+ -162:sc= -0.719 (180deg=-1.34) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0.72 K(o=0.72,f=-0.012) USER MOD Single : A 32 ASN : amide:sc= -0.852 K(o=-0.85,f=-2.6!) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.0025) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -149:sc= -0.0391 (180deg=-0.481) USER MOD Single : A 39 SER OG : rot -90:sc= 1.2 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 22:sc= 1.03 USER MOD Single : A 52 SER OG : rot 180:sc= 0.138 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0.636 K(o=0.64,f=-0.46) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 63 THR OG1 : rot -170:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.059) USER MOD Single : A 66 ASN : amide:sc= 2.06 K(o=2.1,f=-0.7) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.139 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 90 HIS : no HE2:sc= 0.235 K(o=0.23,f=-1.5) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -0.203 K(o=-0.2,f=-1.9!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 280 N ASP A 24 -3.015 10.761 5.323 1.00 32.21 N ATOM 281 CA ASP A 24 -2.778 9.463 5.932 1.00 45.31 C ATOM 282 C ASP A 24 -2.254 8.544 4.834 1.00 42.10 C ATOM 283 O ASP A 24 -3.020 8.100 3.985 1.00 73.31 O ATOM 284 CB ASP A 24 -4.038 8.869 6.601 1.00 74.02 C ATOM 285 CG ASP A 24 -5.351 9.622 6.390 1.00 72.41 C ATOM 286 OD1 ASP A 24 -5.934 9.514 5.295 1.00 42.22 O ATOM 287 OD2 ASP A 24 -5.760 10.367 7.313 1.00 45.42 O ATOM 0 HA ASP A 24 -2.053 9.570 6.739 1.00 45.31 H new ATOM 0 HB2 ASP A 24 -4.168 7.850 6.236 1.00 74.02 H new ATOM 0 HB3 ASP A 24 -3.854 8.802 7.673 1.00 74.02 H new ATOM 291 N THR A 25 -0.957 8.246 4.819 1.00 65.20 N ATOM 292 CA THR A 25 -0.397 7.189 3.980 1.00 43.13 C ATOM 293 C THR A 25 0.656 6.422 4.776 1.00 62.31 C ATOM 294 O THR A 25 1.463 7.033 5.480 1.00 3.11 O ATOM 295 CB THR A 25 0.227 7.753 2.691 1.00 52.54 C ATOM 296 OG1 THR A 25 -0.476 8.868 2.177 1.00 61.23 O ATOM 297 CG2 THR A 25 0.217 6.663 1.623 1.00 72.43 C ATOM 0 H THR A 25 -0.264 8.731 5.389 1.00 65.20 H new ATOM 0 HA THR A 25 -1.207 6.521 3.686 1.00 43.13 H new ATOM 0 HB THR A 25 1.237 8.078 2.942 1.00 52.54 H new ATOM 0 HG1 THR A 25 -0.035 9.185 1.361 1.00 61.23 H new ATOM 0 HG21 THR A 25 0.657 7.050 0.704 1.00 72.43 H new ATOM 0 HG22 THR A 25 0.797 5.808 1.971 1.00 72.43 H new ATOM 0 HG23 THR A 25 -0.810 6.351 1.431 1.00 72.43 H new ATOM 305 N ILE A 26 0.652 5.094 4.674 1.00 30.05 N ATOM 306 CA ILE A 26 1.680 4.252 5.281 1.00 25.11 C ATOM 307 C ILE A 26 2.791 4.083 4.245 1.00 4.11 C ATOM 308 O ILE A 26 2.568 4.223 3.039 1.00 31.15 O ATOM 309 CB ILE A 26 1.052 2.928 5.781 1.00 44.32 C ATOM 310 CG1 ILE A 26 0.064 3.265 6.921 1.00 2.11 C ATOM 311 CG2 ILE A 26 2.085 1.902 6.288 1.00 2.24 C ATOM 312 CD1 ILE A 26 -0.939 2.156 7.205 1.00 65.30 C ATOM 0 H ILE A 26 -0.064 4.572 4.168 1.00 30.05 H new ATOM 0 HA ILE A 26 2.122 4.701 6.170 1.00 25.11 H new ATOM 0 HB ILE A 26 0.553 2.462 4.931 1.00 44.32 H new ATOM 0 HG12 ILE A 26 0.628 3.475 7.830 1.00 2.11 H new ATOM 0 HG13 ILE A 26 -0.477 4.176 6.664 1.00 2.11 H new ATOM 0 HG21 ILE A 26 1.570 1.001 6.621 1.00 2.24 H new ATOM 0 HG22 ILE A 26 2.773 1.649 5.481 1.00 2.24 H new ATOM 0 HG23 ILE A 26 2.644 2.329 7.121 1.00 2.24 H new ATOM 0 HD11 ILE A 26 -1.600 2.462 8.016 1.00 65.30 H new ATOM 0 HD12 ILE A 26 -1.529 1.961 6.310 1.00 65.30 H new ATOM 0 HD13 ILE A 26 -0.407 1.249 7.493 1.00 65.30 H new ATOM 323 N ILE A 27 3.993 3.787 4.724 1.00 52.42 N ATOM 324 CA ILE A 27 5.191 3.648 3.922 1.00 42.34 C ATOM 325 C ILE A 27 5.865 2.359 4.387 1.00 25.21 C ATOM 326 O ILE A 27 5.945 2.082 5.588 1.00 10.03 O ATOM 327 CB ILE A 27 6.029 4.942 4.052 1.00 43.31 C ATOM 328 CG1 ILE A 27 7.104 5.126 2.960 1.00 31.33 C ATOM 329 CG2 ILE A 27 6.675 5.115 5.431 1.00 72.40 C ATOM 330 CD1 ILE A 27 6.569 5.948 1.786 1.00 11.43 C ATOM 0 H ILE A 27 4.161 3.633 5.718 1.00 52.42 H new ATOM 0 HA ILE A 27 5.014 3.548 2.851 1.00 42.34 H new ATOM 0 HB ILE A 27 5.283 5.724 3.912 1.00 43.31 H new ATOM 0 HG12 ILE A 27 7.977 5.621 3.386 1.00 31.33 H new ATOM 0 HG13 ILE A 27 7.434 4.150 2.603 1.00 31.33 H new ATOM 0 HG21 ILE A 27 7.247 6.043 5.451 1.00 72.40 H new ATOM 0 HG22 ILE A 27 5.898 5.151 6.195 1.00 72.40 H new ATOM 0 HG23 ILE A 27 7.340 4.274 5.629 1.00 72.40 H new ATOM 0 HD11 ILE A 27 7.350 6.060 1.034 1.00 11.43 H new ATOM 0 HD12 ILE A 27 5.712 5.439 1.346 1.00 11.43 H new ATOM 0 HD13 ILE A 27 6.263 6.932 2.140 1.00 11.43 H new ATOM 341 N LEU A 28 6.287 1.523 3.445 1.00 45.02 N ATOM 342 CA LEU A 28 7.099 0.345 3.731 1.00 62.21 C ATOM 343 C LEU A 28 8.537 0.833 3.735 1.00 72.22 C ATOM 344 O LEU A 28 8.902 1.593 2.834 1.00 71.44 O ATOM 345 CB LEU A 28 6.962 -0.743 2.652 1.00 54.43 C ATOM 346 CG LEU A 28 5.580 -1.374 2.435 1.00 62.44 C ATOM 347 CD1 LEU A 28 4.957 -1.923 3.722 1.00 74.10 C ATOM 348 CD2 LEU A 28 4.619 -0.395 1.756 1.00 32.12 C ATOM 0 H LEU A 28 6.074 1.644 2.455 1.00 45.02 H new ATOM 0 HA LEU A 28 6.781 -0.099 4.674 1.00 62.21 H new ATOM 0 HB2 LEU A 28 7.286 -0.315 1.703 1.00 54.43 H new ATOM 0 HB3 LEU A 28 7.660 -1.544 2.895 1.00 54.43 H new ATOM 0 HG LEU A 28 5.745 -2.225 1.774 1.00 62.44 H new ATOM 0 HD11 LEU A 28 3.982 -2.355 3.499 1.00 74.10 H new ATOM 0 HD12 LEU A 28 5.606 -2.691 4.142 1.00 74.10 H new ATOM 0 HD13 LEU A 28 4.839 -1.114 4.443 1.00 74.10 H new ATOM 0 HD21 LEU A 28 3.650 -0.874 1.617 1.00 32.12 H new ATOM 0 HD22 LEU A 28 4.500 0.490 2.380 1.00 32.12 H new ATOM 0 HD23 LEU A 28 5.022 -0.103 0.786 1.00 32.12 H new ATOM 359 N ARG A 29 9.349 0.383 4.692 1.00 61.23 N ATOM 360 CA ARG A 29 10.758 0.755 4.756 1.00 72.30 C ATOM 361 C ARG A 29 11.649 -0.467 4.656 1.00 52.33 C ATOM 362 O ARG A 29 11.212 -1.575 4.975 1.00 13.44 O ATOM 363 CB ARG A 29 11.035 1.534 6.048 1.00 41.20 C ATOM 364 CG ARG A 29 10.318 2.893 6.024 1.00 14.21 C ATOM 365 CD ARG A 29 10.992 3.938 6.912 1.00 51.44 C ATOM 366 NE ARG A 29 12.358 4.235 6.454 1.00 52.13 N ATOM 367 CZ ARG A 29 13.156 5.188 6.941 1.00 24.44 C ATOM 368 NH1 ARG A 29 12.679 6.121 7.759 1.00 70.21 N ATOM 369 NH2 ARG A 29 14.438 5.207 6.610 1.00 33.43 N ATOM 0 H ARG A 29 9.049 -0.245 5.438 1.00 61.23 H new ATOM 0 HA ARG A 29 10.987 1.397 3.906 1.00 72.30 H new ATOM 0 HB2 ARG A 29 10.699 0.954 6.908 1.00 41.20 H new ATOM 0 HB3 ARG A 29 12.108 1.685 6.165 1.00 41.20 H new ATOM 0 HG2 ARG A 29 10.284 3.262 4.999 1.00 14.21 H new ATOM 0 HG3 ARG A 29 9.286 2.759 6.349 1.00 14.21 H new ATOM 0 HD2 ARG A 29 10.400 4.853 6.912 1.00 51.44 H new ATOM 0 HD3 ARG A 29 11.022 3.578 7.940 1.00 51.44 H new ATOM 0 HE ARG A 29 12.729 3.661 5.696 1.00 52.13 H new ATOM 0 HH11 ARG A 29 11.693 6.114 8.021 1.00 70.21 H new ATOM 0 HH12 ARG A 29 13.299 6.844 8.125 1.00 70.21 H new ATOM 0 HH21 ARG A 29 14.814 4.495 5.984 1.00 33.43 H new ATOM 0 HH22 ARG A 29 15.050 5.934 6.981 1.00 33.43 H new ATOM 380 N ASN A 30 12.911 -0.239 4.298 1.00 53.33 N ATOM 381 CA ASN A 30 13.984 -1.227 4.219 1.00 23.41 C ATOM 382 C ASN A 30 13.696 -2.309 3.173 1.00 64.40 C ATOM 383 O ASN A 30 13.673 -3.516 3.455 1.00 50.42 O ATOM 384 CB ASN A 30 14.243 -1.837 5.597 1.00 54.00 C ATOM 385 CG ASN A 30 15.595 -2.531 5.612 1.00 12.11 C ATOM 386 OD1 ASN A 30 16.636 -1.886 5.579 1.00 51.10 O ATOM 387 ND2 ASN A 30 15.634 -3.841 5.749 1.00 4.11 N ATOM 0 H ASN A 30 13.230 0.695 4.040 1.00 53.33 H new ATOM 0 HA ASN A 30 14.888 -0.713 3.892 1.00 23.41 H new ATOM 0 HB2 ASN A 30 14.216 -1.058 6.359 1.00 54.00 H new ATOM 0 HB3 ASN A 30 13.456 -2.550 5.842 1.00 54.00 H new ATOM 0 HD21 ASN A 30 16.532 -4.319 5.828 1.00 4.11 H new ATOM 0 HD22 ASN A 30 14.767 -4.377 5.776 1.00 4.11 H new ATOM 393 N LEU A 31 13.398 -1.887 1.947 1.00 63.43 N ATOM 394 CA LEU A 31 13.039 -2.796 0.874 1.00 25.14 C ATOM 395 C LEU A 31 14.260 -3.096 0.048 1.00 25.54 C ATOM 396 O LEU A 31 15.266 -2.391 0.071 1.00 2.41 O ATOM 397 CB LEU A 31 11.874 -2.294 0.000 1.00 14.35 C ATOM 398 CG LEU A 31 10.565 -2.391 0.788 1.00 64.14 C ATOM 399 CD1 LEU A 31 10.377 -1.301 1.818 1.00 22.12 C ATOM 400 CD2 LEU A 31 9.338 -2.362 -0.108 1.00 53.21 C ATOM 0 H LEU A 31 13.400 -0.904 1.674 1.00 63.43 H new ATOM 0 HA LEU A 31 12.670 -3.713 1.333 1.00 25.14 H new ATOM 0 HB2 LEU A 31 12.052 -1.263 -0.304 1.00 14.35 H new ATOM 0 HB3 LEU A 31 11.807 -2.888 -0.911 1.00 14.35 H new ATOM 0 HG LEU A 31 10.657 -3.352 1.294 1.00 64.14 H new ATOM 0 HD11 LEU A 31 9.426 -1.445 2.330 1.00 22.12 H new ATOM 0 HD12 LEU A 31 11.189 -1.342 2.544 1.00 22.12 H new ATOM 0 HD13 LEU A 31 10.380 -0.329 1.324 1.00 22.12 H new ATOM 0 HD21 LEU A 31 8.439 -2.434 0.504 1.00 53.21 H new ATOM 0 HD22 LEU A 31 9.320 -1.429 -0.671 1.00 53.21 H new ATOM 0 HD23 LEU A 31 9.373 -3.203 -0.801 1.00 53.21 H new ATOM 411 N ASN A 32 14.112 -4.176 -0.701 1.00 2.32 N ATOM 412 CA ASN A 32 15.133 -4.636 -1.628 1.00 13.43 C ATOM 413 C ASN A 32 14.667 -4.446 -3.060 1.00 71.12 C ATOM 414 O ASN A 32 13.461 -4.447 -3.320 1.00 32.25 O ATOM 415 CB ASN A 32 15.521 -6.100 -1.341 1.00 11.31 C ATOM 416 CG ASN A 32 16.799 -6.189 -0.522 1.00 42.01 C ATOM 417 OD1 ASN A 32 17.212 -5.223 0.100 1.00 54.23 O ATOM 418 ND2 ASN A 32 17.459 -7.328 -0.481 1.00 41.11 N ATOM 0 H ASN A 32 13.277 -4.761 -0.683 1.00 2.32 H new ATOM 0 HA ASN A 32 16.031 -4.034 -1.486 1.00 13.43 H new ATOM 0 HB2 ASN A 32 14.710 -6.594 -0.806 1.00 11.31 H new ATOM 0 HB3 ASN A 32 15.653 -6.633 -2.282 1.00 11.31 H new ATOM 0 HD21 ASN A 32 18.314 -7.402 0.070 1.00 41.11 H new ATOM 0 HD22 ASN A 32 17.115 -8.136 -1.000 1.00 41.11 H new ATOM 424 N PRO A 33 15.598 -4.391 -4.023 1.00 3.11 N ATOM 425 CA PRO A 33 15.255 -4.221 -5.425 1.00 74.23 C ATOM 426 C PRO A 33 14.479 -5.429 -5.960 1.00 31.55 C ATOM 427 O PRO A 33 13.701 -5.293 -6.904 1.00 24.22 O ATOM 428 CB PRO A 33 16.584 -3.999 -6.144 1.00 72.23 C ATOM 429 CG PRO A 33 17.654 -4.548 -5.210 1.00 24.23 C ATOM 430 CD PRO A 33 17.036 -4.444 -3.821 1.00 73.21 C ATOM 0 HA PRO A 33 14.587 -3.375 -5.586 1.00 74.23 H new ATOM 0 HB2 PRO A 33 16.601 -4.514 -7.104 1.00 72.23 H new ATOM 0 HB3 PRO A 33 16.747 -2.941 -6.347 1.00 72.23 H new ATOM 0 HG2 PRO A 33 17.905 -5.580 -5.457 1.00 24.23 H new ATOM 0 HG3 PRO A 33 18.576 -3.970 -5.279 1.00 24.23 H new ATOM 0 HD2 PRO A 33 17.312 -5.301 -3.206 1.00 73.21 H new ATOM 0 HD3 PRO A 33 17.390 -3.553 -3.303 1.00 73.21 H new ATOM 435 N HIS A 34 14.633 -6.581 -5.300 1.00 45.22 N ATOM 436 CA HIS A 34 13.952 -7.841 -5.552 1.00 63.23 C ATOM 437 C HIS A 34 12.749 -8.090 -4.634 1.00 43.12 C ATOM 438 O HIS A 34 12.209 -9.198 -4.631 1.00 5.01 O ATOM 439 CB HIS A 34 14.991 -8.962 -5.448 1.00 4.41 C ATOM 440 CG HIS A 34 15.760 -9.096 -6.728 1.00 3.24 C ATOM 441 ND1 HIS A 34 15.257 -9.600 -7.906 1.00 60.20 N ATOM 442 CD2 HIS A 34 17.018 -8.623 -6.973 1.00 11.02 C ATOM 443 CE1 HIS A 34 16.189 -9.425 -8.853 1.00 64.44 C ATOM 444 NE2 HIS A 34 17.284 -8.846 -8.327 1.00 14.43 N ATOM 0 H HIS A 34 15.286 -6.656 -4.520 1.00 45.22 H new ATOM 0 HA HIS A 34 13.521 -7.808 -6.552 1.00 63.23 H new ATOM 0 HB2 HIS A 34 15.677 -8.753 -4.627 1.00 4.41 H new ATOM 0 HB3 HIS A 34 14.494 -9.904 -5.217 1.00 4.41 H new ATOM 0 HD2 HIS A 34 17.682 -8.163 -6.256 1.00 11.02 H new ATOM 0 HE1 HIS A 34 16.077 -9.708 -9.889 1.00 64.44 H new ATOM 0 HE2 HIS A 34 18.145 -8.614 -8.822 1.00 14.43 H new ATOM 451 N SER A 35 12.325 -7.109 -3.832 1.00 44.02 N ATOM 452 CA SER A 35 11.082 -7.217 -3.103 1.00 14.01 C ATOM 453 C SER A 35 9.896 -7.203 -4.080 1.00 72.20 C ATOM 454 O SER A 35 9.995 -6.725 -5.211 1.00 54.32 O ATOM 455 CB SER A 35 10.981 -6.068 -2.096 1.00 3.35 C ATOM 456 OG SER A 35 11.870 -6.282 -1.011 1.00 1.13 O ATOM 0 H SER A 35 12.831 -6.237 -3.679 1.00 44.02 H new ATOM 0 HA SER A 35 11.057 -8.160 -2.557 1.00 14.01 H new ATOM 0 HB2 SER A 35 11.217 -5.124 -2.587 1.00 3.35 H new ATOM 0 HB3 SER A 35 9.959 -5.988 -1.727 1.00 3.35 H new ATOM 0 HG SER A 35 11.624 -5.695 -0.266 1.00 1.13 H new ATOM 461 N THR A 36 8.749 -7.663 -3.607 1.00 30.42 N ATOM 462 CA THR A 36 7.530 -7.876 -4.387 1.00 70.02 C ATOM 463 C THR A 36 6.374 -7.062 -3.811 1.00 21.25 C ATOM 464 O THR A 36 6.366 -6.762 -2.614 1.00 62.03 O ATOM 465 CB THR A 36 7.199 -9.379 -4.367 1.00 53.30 C ATOM 466 OG1 THR A 36 7.349 -9.907 -3.060 1.00 44.14 O ATOM 467 CG2 THR A 36 8.115 -10.136 -5.325 1.00 20.04 C ATOM 0 H THR A 36 8.632 -7.911 -2.625 1.00 30.42 H new ATOM 0 HA THR A 36 7.684 -7.545 -5.414 1.00 70.02 H new ATOM 0 HB THR A 36 6.163 -9.501 -4.683 1.00 53.30 H new ATOM 0 HG1 THR A 36 7.133 -10.863 -3.067 1.00 44.14 H new ATOM 0 HG21 THR A 36 7.870 -11.198 -5.300 1.00 20.04 H new ATOM 0 HG22 THR A 36 7.978 -9.755 -6.337 1.00 20.04 H new ATOM 0 HG23 THR A 36 9.153 -9.996 -5.023 1.00 20.04 H new ATOM 475 N MET A 37 5.354 -6.754 -4.612 1.00 3.32 N ATOM 476 CA MET A 37 4.068 -6.268 -4.130 1.00 45.30 C ATOM 477 C MET A 37 3.483 -7.223 -3.091 1.00 2.53 C ATOM 478 O MET A 37 3.058 -6.779 -2.027 1.00 12.35 O ATOM 479 CB MET A 37 3.159 -6.125 -5.347 1.00 45.31 C ATOM 480 CG MET A 37 1.684 -5.918 -4.997 1.00 14.13 C ATOM 481 SD MET A 37 0.721 -5.352 -6.417 1.00 14.31 S ATOM 482 CE MET A 37 1.223 -3.620 -6.419 1.00 72.32 C ATOM 0 H MET A 37 5.402 -6.837 -5.627 1.00 3.32 H new ATOM 0 HA MET A 37 4.175 -5.305 -3.631 1.00 45.30 H new ATOM 0 HB2 MET A 37 3.502 -5.282 -5.947 1.00 45.31 H new ATOM 0 HB3 MET A 37 3.254 -7.017 -5.966 1.00 45.31 H new ATOM 0 HG2 MET A 37 1.265 -6.853 -4.625 1.00 14.13 H new ATOM 0 HG3 MET A 37 1.602 -5.189 -4.190 1.00 14.13 H new ATOM 0 HE1 MET A 37 0.407 -3.005 -6.799 1.00 72.32 H new ATOM 0 HE2 MET A 37 1.468 -3.311 -5.403 1.00 72.32 H new ATOM 0 HE3 MET A 37 2.098 -3.496 -7.057 1.00 72.32 H new ATOM 490 N ASP A 38 3.515 -8.529 -3.356 1.00 31.14 N ATOM 491 CA ASP A 38 2.884 -9.529 -2.494 1.00 72.33 C ATOM 492 C ASP A 38 3.502 -9.589 -1.102 1.00 64.20 C ATOM 493 O ASP A 38 2.856 -10.104 -0.190 1.00 73.10 O ATOM 494 CB ASP A 38 2.921 -10.923 -3.142 1.00 61.03 C ATOM 495 CG ASP A 38 1.679 -11.199 -3.983 1.00 42.42 C ATOM 496 OD1 ASP A 38 1.104 -10.239 -4.548 1.00 70.33 O ATOM 497 OD2 ASP A 38 1.293 -12.369 -4.149 1.00 60.32 O ATOM 0 H ASP A 38 3.979 -8.924 -4.174 1.00 31.14 H new ATOM 0 HA ASP A 38 1.847 -9.213 -2.377 1.00 72.33 H new ATOM 0 HB2 ASP A 38 3.809 -11.007 -3.769 1.00 61.03 H new ATOM 0 HB3 ASP A 38 3.007 -11.682 -2.364 1.00 61.03 H new ATOM 501 N SER A 39 4.705 -9.033 -0.898 1.00 12.12 N ATOM 502 CA SER A 39 5.254 -8.924 0.444 1.00 62.33 C ATOM 503 C SER A 39 4.329 -8.116 1.364 1.00 30.32 C ATOM 504 O SER A 39 4.210 -8.442 2.541 1.00 50.51 O ATOM 505 CB SER A 39 6.676 -8.371 0.413 1.00 72.43 C ATOM 506 OG SER A 39 6.738 -7.043 -0.043 1.00 45.42 O ATOM 0 H SER A 39 5.301 -8.660 -1.637 1.00 12.12 H new ATOM 0 HA SER A 39 5.314 -9.927 0.867 1.00 62.33 H new ATOM 0 HB2 SER A 39 7.103 -8.426 1.414 1.00 72.43 H new ATOM 0 HB3 SER A 39 7.291 -9.000 -0.231 1.00 72.43 H new ATOM 0 HG SER A 39 6.847 -7.036 -1.017 1.00 45.42 H new ATOM 511 N ILE A 40 3.633 -7.110 0.835 1.00 1.23 N ATOM 512 CA ILE A 40 2.666 -6.333 1.587 1.00 44.40 C ATOM 513 C ILE A 40 1.397 -7.172 1.730 1.00 53.54 C ATOM 514 O ILE A 40 0.980 -7.477 2.845 1.00 44.24 O ATOM 515 CB ILE A 40 2.431 -4.971 0.895 1.00 14.45 C ATOM 516 CG1 ILE A 40 3.720 -4.119 0.817 1.00 73.31 C ATOM 517 CG2 ILE A 40 1.362 -4.168 1.653 1.00 11.31 C ATOM 518 CD1 ILE A 40 4.545 -4.288 -0.467 1.00 43.44 C ATOM 0 H ILE A 40 3.730 -6.814 -0.136 1.00 1.23 H new ATOM 0 HA ILE A 40 3.028 -6.099 2.588 1.00 44.40 H new ATOM 0 HB ILE A 40 2.101 -5.190 -0.120 1.00 14.45 H new ATOM 0 HG12 ILE A 40 3.447 -3.068 0.918 1.00 73.31 H new ATOM 0 HG13 ILE A 40 4.352 -4.368 1.670 1.00 73.31 H new ATOM 0 HG21 ILE A 40 1.205 -3.211 1.156 1.00 11.31 H new ATOM 0 HG22 ILE A 40 0.427 -4.728 1.665 1.00 11.31 H new ATOM 0 HG23 ILE A 40 1.695 -3.995 2.677 1.00 11.31 H new ATOM 0 HD11 ILE A 40 5.426 -3.648 -0.420 1.00 43.44 H new ATOM 0 HD12 ILE A 40 4.857 -5.328 -0.565 1.00 43.44 H new ATOM 0 HD13 ILE A 40 3.939 -4.008 -1.329 1.00 43.44 H new ATOM 529 N LEU A 41 0.772 -7.529 0.604 1.00 54.20 N ATOM 530 CA LEU A 41 -0.553 -8.141 0.605 1.00 45.52 C ATOM 531 C LEU A 41 -0.537 -9.405 1.477 1.00 72.04 C ATOM 532 O LEU A 41 -1.355 -9.536 2.382 1.00 53.54 O ATOM 533 CB LEU A 41 -1.041 -8.443 -0.824 1.00 33.34 C ATOM 534 CG LEU A 41 -1.470 -7.230 -1.686 1.00 52.30 C ATOM 535 CD1 LEU A 41 -0.290 -6.439 -2.248 1.00 23.03 C ATOM 536 CD2 LEU A 41 -2.327 -7.663 -2.882 1.00 62.40 C ATOM 0 H LEU A 41 1.170 -7.402 -0.326 1.00 54.20 H new ATOM 0 HA LEU A 41 -1.263 -7.432 1.031 1.00 45.52 H new ATOM 0 HB2 LEU A 41 -0.245 -8.970 -1.351 1.00 33.34 H new ATOM 0 HB3 LEU A 41 -1.886 -9.128 -0.757 1.00 33.34 H new ATOM 0 HG LEU A 41 -2.037 -6.597 -1.003 1.00 52.30 H new ATOM 0 HD11 LEU A 41 -0.662 -5.604 -2.842 1.00 23.03 H new ATOM 0 HD12 LEU A 41 0.317 -6.059 -1.427 1.00 23.03 H new ATOM 0 HD13 LEU A 41 0.317 -7.089 -2.877 1.00 23.03 H new ATOM 0 HD21 LEU A 41 -2.609 -6.786 -3.464 1.00 62.40 H new ATOM 0 HD22 LEU A 41 -1.756 -8.347 -3.510 1.00 62.40 H new ATOM 0 HD23 LEU A 41 -3.226 -8.165 -2.523 1.00 62.40 H new ATOM 547 N GLY A 42 0.444 -10.286 1.280 1.00 64.31 N ATOM 548 CA GLY A 42 0.546 -11.591 1.921 1.00 33.24 C ATOM 549 C GLY A 42 0.925 -11.591 3.408 1.00 51.33 C ATOM 550 O GLY A 42 1.245 -12.664 3.928 1.00 43.14 O ATOM 0 H GLY A 42 1.219 -10.100 0.643 1.00 64.31 H new ATOM 0 HA2 GLY A 42 -0.411 -12.101 1.812 1.00 33.24 H new ATOM 0 HA3 GLY A 42 1.285 -12.181 1.380 1.00 33.24 H new ATOM 554 N ALA A 43 0.904 -10.452 4.107 1.00 41.40 N ATOM 555 CA ALA A 43 0.832 -10.436 5.571 1.00 22.11 C ATOM 556 C ALA A 43 -0.436 -9.735 6.038 1.00 43.24 C ATOM 557 O ALA A 43 -1.040 -10.181 7.009 1.00 11.45 O ATOM 558 CB ALA A 43 2.083 -9.802 6.201 1.00 10.31 C ATOM 0 H ALA A 43 0.936 -9.526 3.680 1.00 41.40 H new ATOM 0 HA ALA A 43 0.796 -11.471 5.910 1.00 22.11 H new ATOM 0 HB1 ALA A 43 1.988 -9.811 7.287 1.00 10.31 H new ATOM 0 HB2 ALA A 43 2.966 -10.372 5.910 1.00 10.31 H new ATOM 0 HB3 ALA A 43 2.184 -8.774 5.854 1.00 10.31 H new ATOM 564 N LEU A 44 -0.824 -8.635 5.387 1.00 21.43 N ATOM 565 CA LEU A 44 -1.834 -7.748 5.952 1.00 43.53 C ATOM 566 C LEU A 44 -3.231 -8.030 5.407 1.00 62.41 C ATOM 567 O LEU A 44 -4.193 -7.538 5.982 1.00 2.41 O ATOM 568 CB LEU A 44 -1.443 -6.274 5.740 1.00 10.53 C ATOM 569 CG LEU A 44 -0.119 -5.795 6.385 1.00 12.22 C ATOM 570 CD1 LEU A 44 0.219 -6.487 7.707 1.00 43.11 C ATOM 571 CD2 LEU A 44 1.097 -5.927 5.467 1.00 25.21 C ATOM 0 H LEU A 44 -0.458 -8.343 4.481 1.00 21.43 H new ATOM 0 HA LEU A 44 -1.872 -7.947 7.023 1.00 43.53 H new ATOM 0 HB2 LEU A 44 -1.382 -6.091 4.667 1.00 10.53 H new ATOM 0 HB3 LEU A 44 -2.251 -5.651 6.124 1.00 10.53 H new ATOM 0 HG LEU A 44 -0.319 -4.741 6.575 1.00 12.22 H new ATOM 0 HD11 LEU A 44 1.160 -6.095 8.093 1.00 43.11 H new ATOM 0 HD12 LEU A 44 -0.575 -6.299 8.429 1.00 43.11 H new ATOM 0 HD13 LEU A 44 0.313 -7.560 7.542 1.00 43.11 H new ATOM 0 HD21 LEU A 44 1.986 -5.572 5.988 1.00 25.21 H new ATOM 0 HD22 LEU A 44 1.232 -6.973 5.190 1.00 25.21 H new ATOM 0 HD23 LEU A 44 0.941 -5.331 4.568 1.00 25.21 H new ATOM 582 N ALA A 45 -3.368 -8.824 4.340 1.00 73.03 N ATOM 583 CA ALA A 45 -4.632 -9.107 3.664 1.00 12.43 C ATOM 584 C ALA A 45 -5.786 -9.432 4.623 1.00 25.35 C ATOM 585 O ALA A 45 -6.827 -8.777 4.520 1.00 13.42 O ATOM 586 CB ALA A 45 -4.451 -10.199 2.601 1.00 50.24 C ATOM 0 H ALA A 45 -2.575 -9.301 3.912 1.00 73.03 H new ATOM 0 HA ALA A 45 -4.925 -8.184 3.164 1.00 12.43 H new ATOM 0 HB1 ALA A 45 -5.406 -10.392 2.112 1.00 50.24 H new ATOM 0 HB2 ALA A 45 -3.724 -9.868 1.860 1.00 50.24 H new ATOM 0 HB3 ALA A 45 -4.095 -11.113 3.076 1.00 50.24 H new ATOM 592 N PRO A 46 -5.659 -10.389 5.565 1.00 4.31 N ATOM 593 CA PRO A 46 -6.770 -10.730 6.442 1.00 14.24 C ATOM 594 C PRO A 46 -7.127 -9.677 7.484 1.00 13.41 C ATOM 595 O PRO A 46 -8.146 -9.843 8.159 1.00 65.31 O ATOM 596 CB PRO A 46 -6.411 -12.068 7.092 1.00 65.23 C ATOM 597 CG PRO A 46 -4.885 -12.074 7.053 1.00 3.44 C ATOM 598 CD PRO A 46 -4.565 -11.332 5.762 1.00 34.44 C ATOM 0 HA PRO A 46 -7.677 -10.790 5.841 1.00 14.24 H new ATOM 0 HB2 PRO A 46 -6.788 -12.134 8.112 1.00 65.23 H new ATOM 0 HB3 PRO A 46 -6.832 -12.909 6.541 1.00 65.23 H new ATOM 0 HG2 PRO A 46 -4.458 -11.572 7.922 1.00 3.44 H new ATOM 0 HG3 PRO A 46 -4.487 -13.089 7.043 1.00 3.44 H new ATOM 0 HD2 PRO A 46 -3.610 -10.813 5.836 1.00 34.44 H new ATOM 0 HD3 PRO A 46 -4.488 -12.023 4.922 1.00 34.44 H new ATOM 603 N TYR A 47 -6.352 -8.602 7.586 1.00 10.43 N ATOM 604 CA TYR A 47 -6.530 -7.525 8.546 1.00 12.22 C ATOM 605 C TYR A 47 -6.714 -6.188 7.826 1.00 21.34 C ATOM 606 O TYR A 47 -6.803 -5.152 8.486 1.00 1.45 O ATOM 607 CB TYR A 47 -5.319 -7.519 9.493 1.00 12.54 C ATOM 608 CG TYR A 47 -4.952 -8.902 10.012 1.00 32.15 C ATOM 609 CD1 TYR A 47 -5.929 -9.707 10.627 1.00 31.02 C ATOM 610 CD2 TYR A 47 -3.661 -9.420 9.803 1.00 12.42 C ATOM 611 CE1 TYR A 47 -5.640 -11.029 11.007 1.00 70.21 C ATOM 612 CE2 TYR A 47 -3.352 -10.731 10.202 1.00 62.22 C ATOM 613 CZ TYR A 47 -4.345 -11.551 10.785 1.00 53.22 C ATOM 614 OH TYR A 47 -4.047 -12.832 11.124 1.00 70.13 O ATOM 0 H TYR A 47 -5.549 -8.454 6.974 1.00 10.43 H new ATOM 0 HA TYR A 47 -7.434 -7.682 9.135 1.00 12.22 H new ATOM 0 HB2 TYR A 47 -4.461 -7.095 8.971 1.00 12.54 H new ATOM 0 HB3 TYR A 47 -5.532 -6.866 10.339 1.00 12.54 H new ATOM 0 HD1 TYR A 47 -6.914 -9.304 10.809 1.00 31.02 H new ATOM 0 HD2 TYR A 47 -2.905 -8.808 9.334 1.00 12.42 H new ATOM 0 HE1 TYR A 47 -6.402 -11.642 11.465 1.00 70.21 H new ATOM 0 HE2 TYR A 47 -2.352 -11.114 10.063 1.00 62.22 H new ATOM 0 HH TYR A 47 -3.112 -13.021 10.899 1.00 70.13 H new ATOM 623 N ALA A 48 -6.757 -6.193 6.489 1.00 63.01 N ATOM 624 CA ALA A 48 -6.775 -4.981 5.678 1.00 25.34 C ATOM 625 C ALA A 48 -7.580 -5.223 4.409 1.00 50.10 C ATOM 626 O ALA A 48 -7.170 -5.988 3.528 1.00 70.10 O ATOM 627 CB ALA A 48 -5.345 -4.524 5.356 1.00 32.44 C ATOM 0 H ALA A 48 -6.780 -7.051 5.938 1.00 63.01 H new ATOM 0 HA ALA A 48 -7.255 -4.181 6.241 1.00 25.34 H new ATOM 0 HB1 ALA A 48 -5.380 -3.618 4.750 1.00 32.44 H new ATOM 0 HB2 ALA A 48 -4.811 -4.319 6.284 1.00 32.44 H new ATOM 0 HB3 ALA A 48 -4.827 -5.309 4.805 1.00 32.44 H new ATOM 633 N VAL A 49 -8.737 -4.571 4.324 1.00 52.50 N ATOM 634 CA VAL A 49 -9.662 -4.689 3.210 1.00 44.23 C ATOM 635 C VAL A 49 -9.157 -3.836 2.033 1.00 1.11 C ATOM 636 O VAL A 49 -9.574 -2.696 1.824 1.00 2.12 O ATOM 637 CB VAL A 49 -11.094 -4.445 3.719 1.00 24.15 C ATOM 638 CG1 VAL A 49 -11.346 -3.069 4.333 1.00 3.53 C ATOM 639 CG2 VAL A 49 -12.117 -4.722 2.618 1.00 71.11 C ATOM 0 H VAL A 49 -9.061 -3.931 5.049 1.00 52.50 H new ATOM 0 HA VAL A 49 -9.706 -5.694 2.789 1.00 44.23 H new ATOM 0 HB VAL A 49 -11.215 -5.153 4.539 1.00 24.15 H new ATOM 0 HG11 VAL A 49 -12.384 -3.001 4.659 1.00 3.53 H new ATOM 0 HG12 VAL A 49 -10.686 -2.926 5.189 1.00 3.53 H new ATOM 0 HG13 VAL A 49 -11.148 -2.297 3.589 1.00 3.53 H new ATOM 0 HG21 VAL A 49 -13.122 -4.543 3.001 1.00 71.11 H new ATOM 0 HG22 VAL A 49 -11.928 -4.062 1.772 1.00 71.11 H new ATOM 0 HG23 VAL A 49 -12.032 -5.759 2.295 1.00 71.11 H new ATOM 649 N LEU A 50 -8.202 -4.379 1.277 1.00 21.43 N ATOM 650 CA LEU A 50 -7.529 -3.704 0.170 1.00 2.45 C ATOM 651 C LEU A 50 -7.250 -4.676 -0.976 1.00 5.31 C ATOM 652 O LEU A 50 -7.771 -5.797 -0.990 1.00 22.02 O ATOM 653 CB LEU A 50 -6.283 -2.943 0.673 1.00 53.32 C ATOM 654 CG LEU A 50 -5.200 -3.702 1.465 1.00 32.13 C ATOM 655 CD1 LEU A 50 -4.466 -4.775 0.650 1.00 13.31 C ATOM 656 CD2 LEU A 50 -4.168 -2.682 1.962 1.00 54.22 C ATOM 0 H LEU A 50 -7.866 -5.331 1.424 1.00 21.43 H new ATOM 0 HA LEU A 50 -8.191 -2.946 -0.248 1.00 2.45 H new ATOM 0 HB2 LEU A 50 -5.800 -2.496 -0.196 1.00 53.32 H new ATOM 0 HB3 LEU A 50 -6.632 -2.123 1.300 1.00 53.32 H new ATOM 0 HG LEU A 50 -5.707 -4.220 2.279 1.00 32.13 H new ATOM 0 HD11 LEU A 50 -3.721 -5.263 1.278 1.00 13.31 H new ATOM 0 HD12 LEU A 50 -5.182 -5.516 0.295 1.00 13.31 H new ATOM 0 HD13 LEU A 50 -3.973 -4.310 -0.203 1.00 13.31 H new ATOM 0 HD21 LEU A 50 -3.390 -3.197 2.526 1.00 54.22 H new ATOM 0 HD22 LEU A 50 -3.720 -2.172 1.109 1.00 54.22 H new ATOM 0 HD23 LEU A 50 -4.659 -1.951 2.605 1.00 54.22 H new ATOM 667 N SER A 51 -6.516 -4.220 -1.987 1.00 51.21 N ATOM 668 CA SER A 51 -5.981 -4.983 -3.105 1.00 24.11 C ATOM 669 C SER A 51 -4.765 -4.227 -3.671 1.00 51.20 C ATOM 670 O SER A 51 -4.270 -3.269 -3.067 1.00 12.11 O ATOM 671 CB SER A 51 -7.091 -5.210 -4.143 1.00 52.11 C ATOM 672 OG SER A 51 -7.977 -6.214 -3.681 1.00 43.20 O ATOM 0 H SER A 51 -6.262 -3.234 -2.048 1.00 51.21 H new ATOM 0 HA SER A 51 -5.640 -5.970 -2.792 1.00 24.11 H new ATOM 0 HB2 SER A 51 -7.636 -4.282 -4.316 1.00 52.11 H new ATOM 0 HB3 SER A 51 -6.655 -5.507 -5.097 1.00 52.11 H new ATOM 0 HG SER A 51 -7.905 -6.291 -2.707 1.00 43.20 H new ATOM 677 N SER A 52 -4.235 -4.689 -4.804 1.00 25.34 N ATOM 678 CA SER A 52 -2.979 -4.256 -5.403 1.00 41.44 C ATOM 679 C SER A 52 -2.966 -2.782 -5.851 1.00 62.01 C ATOM 680 O SER A 52 -1.890 -2.224 -6.070 1.00 32.32 O ATOM 681 CB SER A 52 -2.633 -5.220 -6.556 1.00 63.13 C ATOM 682 OG SER A 52 -3.765 -5.873 -7.120 1.00 13.51 O ATOM 0 H SER A 52 -4.697 -5.413 -5.355 1.00 25.34 H new ATOM 0 HA SER A 52 -2.208 -4.298 -4.634 1.00 41.44 H new ATOM 0 HB2 SER A 52 -2.119 -4.664 -7.340 1.00 63.13 H new ATOM 0 HB3 SER A 52 -1.936 -5.974 -6.190 1.00 63.13 H new ATOM 0 HG SER A 52 -3.474 -6.466 -7.844 1.00 13.51 H new ATOM 687 N SER A 53 -4.119 -2.121 -5.957 1.00 11.53 N ATOM 688 CA SER A 53 -4.195 -0.688 -6.249 1.00 24.34 C ATOM 689 C SER A 53 -3.691 0.139 -5.064 1.00 42.43 C ATOM 690 O SER A 53 -2.957 1.120 -5.234 1.00 32.12 O ATOM 691 CB SER A 53 -5.636 -0.288 -6.558 1.00 61.14 C ATOM 692 OG SER A 53 -6.175 -1.080 -7.603 1.00 64.32 O ATOM 0 H SER A 53 -5.030 -2.565 -5.842 1.00 11.53 H new ATOM 0 HA SER A 53 -3.563 -0.490 -7.115 1.00 24.34 H new ATOM 0 HB2 SER A 53 -6.247 -0.399 -5.662 1.00 61.14 H new ATOM 0 HB3 SER A 53 -5.672 0.764 -6.840 1.00 61.14 H new ATOM 0 HG SER A 53 -7.099 -0.804 -7.779 1.00 64.32 H new ATOM 697 N ASN A 54 -4.082 -0.277 -3.858 1.00 2.34 N ATOM 698 CA ASN A 54 -3.743 0.428 -2.614 1.00 62.42 C ATOM 699 C ASN A 54 -2.231 0.466 -2.412 1.00 45.24 C ATOM 700 O ASN A 54 -1.693 1.459 -1.927 1.00 1.15 O ATOM 701 CB ASN A 54 -4.355 -0.247 -1.377 1.00 70.04 C ATOM 702 CG ASN A 54 -5.853 -0.034 -1.248 1.00 14.31 C ATOM 703 OD1 ASN A 54 -6.636 -0.706 -1.912 1.00 32.15 O ATOM 704 ND2 ASN A 54 -6.283 0.847 -0.364 1.00 54.22 N ATOM 0 H ASN A 54 -4.645 -1.115 -3.713 1.00 2.34 H new ATOM 0 HA ASN A 54 -4.150 1.434 -2.716 1.00 62.42 H new ATOM 0 HB2 ASN A 54 -4.151 -1.317 -1.419 1.00 70.04 H new ATOM 0 HB3 ASN A 54 -3.863 0.137 -0.483 1.00 70.04 H new ATOM 0 HD21 ASN A 54 -7.284 0.980 -0.222 1.00 54.22 H new ATOM 0 HD22 ASN A 54 -5.614 1.395 0.177 1.00 54.22 H new ATOM 710 N VAL A 55 -1.558 -0.637 -2.730 1.00 61.31 N ATOM 711 CA VAL A 55 -0.153 -0.894 -2.452 1.00 11.53 C ATOM 712 C VAL A 55 0.687 -0.292 -3.579 1.00 50.54 C ATOM 713 O VAL A 55 1.000 -0.939 -4.580 1.00 32.32 O ATOM 714 CB VAL A 55 0.036 -2.411 -2.246 1.00 11.52 C ATOM 715 CG1 VAL A 55 1.494 -2.777 -1.949 1.00 24.04 C ATOM 716 CG2 VAL A 55 -0.836 -2.883 -1.069 1.00 5.55 C ATOM 0 H VAL A 55 -2.005 -1.415 -3.214 1.00 61.31 H new ATOM 0 HA VAL A 55 0.187 -0.416 -1.533 1.00 11.53 H new ATOM 0 HB VAL A 55 -0.259 -2.903 -3.173 1.00 11.52 H new ATOM 0 HG11 VAL A 55 1.578 -3.855 -1.811 1.00 24.04 H new ATOM 0 HG12 VAL A 55 2.124 -2.468 -2.783 1.00 24.04 H new ATOM 0 HG13 VAL A 55 1.819 -2.269 -1.041 1.00 24.04 H new ATOM 0 HG21 VAL A 55 -0.702 -3.955 -0.924 1.00 5.55 H new ATOM 0 HG22 VAL A 55 -0.541 -2.354 -0.163 1.00 5.55 H new ATOM 0 HG23 VAL A 55 -1.884 -2.674 -1.286 1.00 5.55 H new ATOM 726 N ARG A 56 1.057 0.980 -3.436 1.00 25.02 N ATOM 727 CA ARG A 56 1.777 1.697 -4.478 1.00 13.15 C ATOM 728 C ARG A 56 3.274 1.445 -4.376 1.00 30.23 C ATOM 729 O ARG A 56 4.020 2.150 -3.693 1.00 25.23 O ATOM 730 CB ARG A 56 1.391 3.182 -4.484 1.00 72.31 C ATOM 731 CG ARG A 56 1.513 3.747 -5.901 1.00 2.13 C ATOM 732 CD ARG A 56 0.338 3.272 -6.776 1.00 71.24 C ATOM 733 NE ARG A 56 0.471 3.710 -8.170 1.00 22.21 N ATOM 734 CZ ARG A 56 -0.282 3.291 -9.191 1.00 33.44 C ATOM 735 NH1 ARG A 56 -1.140 2.281 -9.069 1.00 70.24 N ATOM 736 NH2 ARG A 56 -0.185 3.883 -10.372 1.00 1.54 N ATOM 0 H ARG A 56 0.867 1.535 -2.602 1.00 25.02 H new ATOM 0 HA ARG A 56 1.480 1.310 -5.453 1.00 13.15 H new ATOM 0 HB2 ARG A 56 0.370 3.303 -4.122 1.00 72.31 H new ATOM 0 HB3 ARG A 56 2.038 3.737 -3.805 1.00 72.31 H new ATOM 0 HG2 ARG A 56 1.529 4.836 -5.864 1.00 2.13 H new ATOM 0 HG3 ARG A 56 2.456 3.429 -6.345 1.00 2.13 H new ATOM 0 HD2 ARG A 56 0.280 2.184 -6.743 1.00 71.24 H new ATOM 0 HD3 ARG A 56 -0.596 3.654 -6.365 1.00 71.24 H new ATOM 0 HE ARG A 56 1.200 4.392 -8.377 1.00 22.21 H new ATOM 0 HH11 ARG A 56 -1.238 1.801 -8.175 1.00 70.24 H new ATOM 0 HH12 ARG A 56 -1.699 1.987 -9.870 1.00 70.24 H new ATOM 0 HH21 ARG A 56 0.465 4.659 -10.502 1.00 1.54 H new ATOM 0 HH22 ARG A 56 -0.760 3.563 -11.152 1.00 1.54 H new ATOM 747 N VAL A 57 3.728 0.408 -5.069 1.00 21.34 N ATOM 748 CA VAL A 57 5.135 0.066 -5.149 1.00 53.50 C ATOM 749 C VAL A 57 5.833 1.054 -6.087 1.00 62.12 C ATOM 750 O VAL A 57 5.666 1.002 -7.311 1.00 50.20 O ATOM 751 CB VAL A 57 5.312 -1.400 -5.564 1.00 21.03 C ATOM 752 CG1 VAL A 57 6.801 -1.752 -5.526 1.00 62.14 C ATOM 753 CG2 VAL A 57 4.559 -2.353 -4.620 1.00 42.34 C ATOM 0 H VAL A 57 3.122 -0.222 -5.594 1.00 21.34 H new ATOM 0 HA VAL A 57 5.606 0.154 -4.170 1.00 53.50 H new ATOM 0 HB VAL A 57 4.905 -1.517 -6.568 1.00 21.03 H new ATOM 0 HG11 VAL A 57 6.936 -2.793 -5.820 1.00 62.14 H new ATOM 0 HG12 VAL A 57 7.345 -1.107 -6.216 1.00 62.14 H new ATOM 0 HG13 VAL A 57 7.183 -1.607 -4.516 1.00 62.14 H new ATOM 0 HG21 VAL A 57 4.709 -3.382 -4.947 1.00 42.34 H new ATOM 0 HG22 VAL A 57 4.939 -2.236 -3.605 1.00 42.34 H new ATOM 0 HG23 VAL A 57 3.495 -2.118 -4.638 1.00 42.34 H new ATOM 763 N ILE A 58 6.593 1.984 -5.515 1.00 31.05 N ATOM 764 CA ILE A 58 7.507 2.867 -6.230 1.00 22.45 C ATOM 765 C ILE A 58 8.726 2.063 -6.694 1.00 65.24 C ATOM 766 O ILE A 58 9.553 1.596 -5.905 1.00 54.11 O ATOM 767 CB ILE A 58 7.891 4.076 -5.341 1.00 34.31 C ATOM 768 CG1 ILE A 58 6.665 4.803 -4.734 1.00 74.44 C ATOM 769 CG2 ILE A 58 8.765 5.070 -6.127 1.00 4.44 C ATOM 770 CD1 ILE A 58 5.580 5.210 -5.743 1.00 52.50 C ATOM 0 H ILE A 58 6.589 2.148 -4.508 1.00 31.05 H new ATOM 0 HA ILE A 58 7.022 3.274 -7.117 1.00 22.45 H new ATOM 0 HB ILE A 58 8.461 3.672 -4.504 1.00 34.31 H new ATOM 0 HG12 ILE A 58 6.214 4.155 -3.982 1.00 74.44 H new ATOM 0 HG13 ILE A 58 7.012 5.698 -4.218 1.00 74.44 H new ATOM 0 HG21 ILE A 58 9.024 5.912 -5.486 1.00 4.44 H new ATOM 0 HG22 ILE A 58 9.676 4.571 -6.457 1.00 4.44 H new ATOM 0 HG23 ILE A 58 8.214 5.431 -6.995 1.00 4.44 H new ATOM 0 HD11 ILE A 58 4.766 5.711 -5.219 1.00 52.50 H new ATOM 0 HD12 ILE A 58 6.007 5.887 -6.483 1.00 52.50 H new ATOM 0 HD13 ILE A 58 5.197 4.321 -6.243 1.00 52.50 H new ATOM 781 N LYS A 59 8.817 1.885 -8.008 1.00 74.23 N ATOM 782 CA LYS A 59 10.007 1.408 -8.687 1.00 73.11 C ATOM 783 C LYS A 59 10.908 2.601 -8.969 1.00 43.43 C ATOM 784 O LYS A 59 10.431 3.737 -8.931 1.00 54.53 O ATOM 785 CB LYS A 59 9.647 0.762 -10.030 1.00 2.51 C ATOM 786 CG LYS A 59 8.383 -0.109 -10.004 1.00 72.03 C ATOM 787 CD LYS A 59 8.072 -0.636 -11.407 1.00 14.25 C ATOM 788 CE LYS A 59 9.046 -1.752 -11.770 1.00 22.35 C ATOM 789 NZ LYS A 59 8.675 -3.059 -11.188 1.00 53.32 N ATOM 0 H LYS A 59 8.042 2.075 -8.643 1.00 74.23 H new ATOM 0 HA LYS A 59 10.501 0.670 -8.054 1.00 73.11 H new ATOM 0 HB2 LYS A 59 9.514 1.549 -10.772 1.00 2.51 H new ATOM 0 HB3 LYS A 59 10.487 0.150 -10.360 1.00 2.51 H new ATOM 0 HG2 LYS A 59 8.523 -0.944 -9.317 1.00 72.03 H new ATOM 0 HG3 LYS A 59 7.540 0.473 -9.631 1.00 72.03 H new ATOM 0 HD2 LYS A 59 7.048 -1.008 -11.447 1.00 14.25 H new ATOM 0 HD3 LYS A 59 8.145 0.173 -12.133 1.00 14.25 H new ATOM 0 HE2 LYS A 59 9.094 -1.845 -12.855 1.00 22.35 H new ATOM 0 HE3 LYS A 59 10.045 -1.480 -11.429 1.00 22.35 H new ATOM 0 HZ1 LYS A 59 9.374 -3.776 -11.470 1.00 53.32 H new ATOM 0 HZ2 LYS A 59 8.655 -2.984 -10.151 1.00 53.32 H new ATOM 0 HZ3 LYS A 59 7.734 -3.338 -11.533 1.00 53.32 H new ATOM 799 N ASP A 60 12.162 2.359 -9.330 1.00 34.04 N ATOM 800 CA ASP A 60 13.016 3.385 -9.917 1.00 61.30 C ATOM 801 C ASP A 60 12.608 3.604 -11.378 1.00 21.05 C ATOM 802 O ASP A 60 11.730 2.917 -11.918 1.00 62.10 O ATOM 803 CB ASP A 60 14.496 2.988 -9.790 1.00 64.54 C ATOM 804 CG ASP A 60 15.393 4.222 -9.644 1.00 2.13 C ATOM 805 OD1 ASP A 60 15.539 4.976 -10.632 1.00 73.33 O ATOM 806 OD2 ASP A 60 15.886 4.466 -8.518 1.00 41.41 O ATOM 0 H ASP A 60 12.614 1.451 -9.225 1.00 34.04 H new ATOM 0 HA ASP A 60 12.889 4.325 -9.380 1.00 61.30 H new ATOM 0 HB2 ASP A 60 14.627 2.336 -8.926 1.00 64.54 H new ATOM 0 HB3 ASP A 60 14.798 2.418 -10.668 1.00 64.54 H new ATOM 810 N LYS A 61 13.250 4.569 -12.025 1.00 41.30 N ATOM 811 CA LYS A 61 13.144 4.897 -13.432 1.00 62.12 C ATOM 812 C LYS A 61 14.406 4.457 -14.172 1.00 50.22 C ATOM 813 O LYS A 61 14.330 4.206 -15.375 1.00 42.41 O ATOM 814 CB LYS A 61 12.948 6.409 -13.487 1.00 3.25 C ATOM 815 CG LYS A 61 12.869 7.019 -14.886 1.00 64.44 C ATOM 816 CD LYS A 61 12.604 8.518 -14.732 1.00 53.30 C ATOM 817 CE LYS A 61 12.083 9.161 -16.017 1.00 24.32 C ATOM 818 NZ LYS A 61 11.960 10.620 -15.845 1.00 61.12 N ATOM 0 H LYS A 61 13.904 5.184 -11.541 1.00 41.30 H new ATOM 0 HA LYS A 61 12.314 4.384 -13.917 1.00 62.12 H new ATOM 0 HB2 LYS A 61 12.032 6.657 -12.951 1.00 3.25 H new ATOM 0 HB3 LYS A 61 13.770 6.883 -12.951 1.00 3.25 H new ATOM 0 HG2 LYS A 61 13.799 6.850 -15.429 1.00 64.44 H new ATOM 0 HG3 LYS A 61 12.073 6.548 -15.463 1.00 64.44 H new ATOM 0 HD2 LYS A 61 11.879 8.674 -13.933 1.00 53.30 H new ATOM 0 HD3 LYS A 61 13.525 9.016 -14.429 1.00 53.30 H new ATOM 0 HE2 LYS A 61 12.760 8.941 -16.842 1.00 24.32 H new ATOM 0 HE3 LYS A 61 11.114 8.736 -16.278 1.00 24.32 H new ATOM 0 HZ1 LYS A 61 11.605 11.045 -16.725 1.00 61.12 H new ATOM 0 HZ2 LYS A 61 11.297 10.824 -15.070 1.00 61.12 H new ATOM 0 HZ3 LYS A 61 12.892 11.023 -15.618 1.00 61.12 H new ATOM 828 N GLN A 62 15.560 4.384 -13.491 1.00 63.43 N ATOM 829 CA GLN A 62 16.803 3.934 -14.111 1.00 12.12 C ATOM 830 C GLN A 62 16.720 2.437 -14.368 1.00 23.53 C ATOM 831 O GLN A 62 16.953 1.943 -15.476 1.00 65.34 O ATOM 832 CB GLN A 62 18.039 4.244 -13.255 1.00 43.01 C ATOM 833 CG GLN A 62 18.114 5.700 -12.799 1.00 52.43 C ATOM 834 CD GLN A 62 19.537 6.174 -12.527 1.00 52.30 C ATOM 835 OE1 GLN A 62 20.379 6.202 -13.417 1.00 1.03 O ATOM 836 NE2 GLN A 62 19.817 6.622 -11.317 1.00 74.23 N ATOM 0 H GLN A 62 15.652 4.634 -12.506 1.00 63.43 H new ATOM 0 HA GLN A 62 16.919 4.480 -15.047 1.00 12.12 H new ATOM 0 HB2 GLN A 62 18.036 3.597 -12.378 1.00 43.01 H new ATOM 0 HB3 GLN A 62 18.936 4.003 -13.826 1.00 43.01 H new ATOM 0 HG2 GLN A 62 17.666 6.336 -13.563 1.00 52.43 H new ATOM 0 HG3 GLN A 62 17.519 5.821 -11.894 1.00 52.43 H new ATOM 0 HE21 GLN A 62 19.107 6.593 -10.585 1.00 74.23 H new ATOM 0 HE22 GLN A 62 20.743 6.997 -11.114 1.00 74.23 H new ATOM 843 N THR A 63 16.400 1.713 -13.306 1.00 45.13 N ATOM 844 CA THR A 63 16.216 0.279 -13.292 1.00 2.35 C ATOM 845 C THR A 63 14.710 0.031 -13.318 1.00 31.13 C ATOM 846 O THR A 63 13.925 0.963 -13.502 1.00 44.32 O ATOM 847 CB THR A 63 16.921 -0.280 -12.045 1.00 50.34 C ATOM 848 OG1 THR A 63 16.253 0.166 -10.880 1.00 61.52 O ATOM 849 CG2 THR A 63 18.391 0.156 -11.996 1.00 10.22 C ATOM 0 H THR A 63 16.256 2.135 -12.389 1.00 45.13 H new ATOM 0 HA THR A 63 16.655 -0.231 -14.150 1.00 2.35 H new ATOM 0 HB THR A 63 16.890 -1.368 -12.095 1.00 50.34 H new ATOM 0 HG1 THR A 63 16.789 -0.057 -10.090 1.00 61.52 H new ATOM 0 HG21 THR A 63 18.863 -0.255 -11.103 1.00 10.22 H new ATOM 0 HG22 THR A 63 18.909 -0.211 -12.882 1.00 10.22 H new ATOM 0 HG23 THR A 63 18.447 1.244 -11.968 1.00 10.22 H new ATOM 857 N GLN A 64 14.281 -1.215 -13.152 1.00 71.02 N ATOM 858 CA GLN A 64 12.876 -1.579 -13.040 1.00 25.21 C ATOM 859 C GLN A 64 12.706 -2.362 -11.737 1.00 10.51 C ATOM 860 O GLN A 64 12.126 -3.446 -11.707 1.00 45.21 O ATOM 861 CB GLN A 64 12.455 -2.347 -14.301 1.00 53.42 C ATOM 862 CG GLN A 64 12.600 -1.521 -15.590 1.00 73.33 C ATOM 863 CD GLN A 64 11.614 -0.359 -15.644 1.00 31.34 C ATOM 864 OE1 GLN A 64 10.404 -0.559 -15.701 1.00 52.53 O ATOM 865 NE2 GLN A 64 12.078 0.872 -15.577 1.00 71.33 N ATOM 0 H GLN A 64 14.912 -2.014 -13.091 1.00 71.02 H new ATOM 0 HA GLN A 64 12.217 -0.713 -12.987 1.00 25.21 H new ATOM 0 HB2 GLN A 64 13.058 -3.251 -14.387 1.00 53.42 H new ATOM 0 HB3 GLN A 64 11.418 -2.665 -14.196 1.00 53.42 H new ATOM 0 HG2 GLN A 64 13.617 -1.136 -15.660 1.00 73.33 H new ATOM 0 HG3 GLN A 64 12.444 -2.168 -16.453 1.00 73.33 H new ATOM 0 HE21 GLN A 64 13.084 1.036 -15.530 1.00 71.33 H new ATOM 0 HE22 GLN A 64 11.432 1.661 -15.572 1.00 71.33 H new ATOM 872 N LEU A 65 13.276 -1.814 -10.664 1.00 3.35 N ATOM 873 CA LEU A 65 13.420 -2.410 -9.342 1.00 71.22 C ATOM 874 C LEU A 65 12.822 -1.449 -8.327 1.00 32.45 C ATOM 875 O LEU A 65 12.570 -0.294 -8.656 1.00 43.14 O ATOM 876 CB LEU A 65 14.906 -2.588 -9.014 1.00 50.02 C ATOM 877 CG LEU A 65 15.702 -3.416 -10.031 1.00 51.31 C ATOM 878 CD1 LEU A 65 17.194 -3.203 -9.800 1.00 61.53 C ATOM 879 CD2 LEU A 65 15.334 -4.902 -9.992 1.00 22.55 C ATOM 0 H LEU A 65 13.676 -0.877 -10.702 1.00 3.35 H new ATOM 0 HA LEU A 65 12.920 -3.378 -9.315 1.00 71.22 H new ATOM 0 HB2 LEU A 65 15.365 -1.603 -8.932 1.00 50.02 H new ATOM 0 HB3 LEU A 65 14.992 -3.062 -8.036 1.00 50.02 H new ATOM 0 HG LEU A 65 15.441 -3.070 -11.031 1.00 51.31 H new ATOM 0 HD11 LEU A 65 17.761 -3.791 -10.522 1.00 61.53 H new ATOM 0 HD12 LEU A 65 17.434 -2.147 -9.923 1.00 61.53 H new ATOM 0 HD13 LEU A 65 17.455 -3.519 -8.790 1.00 61.53 H new ATOM 0 HD21 LEU A 65 15.926 -5.443 -10.731 1.00 22.55 H new ATOM 0 HD22 LEU A 65 15.540 -5.302 -8.999 1.00 22.55 H new ATOM 0 HD23 LEU A 65 14.274 -5.020 -10.218 1.00 22.55 H new ATOM 890 N ASN A 66 12.621 -1.891 -7.089 1.00 50.20 N ATOM 891 CA ASN A 66 12.016 -1.039 -6.058 1.00 10.34 C ATOM 892 C ASN A 66 13.028 -0.001 -5.578 1.00 64.14 C ATOM 893 O ASN A 66 14.230 -0.277 -5.527 1.00 33.25 O ATOM 894 CB ASN A 66 11.539 -1.866 -4.852 1.00 45.20 C ATOM 895 CG ASN A 66 10.722 -3.075 -5.275 1.00 51.51 C ATOM 896 OD1 ASN A 66 9.628 -2.968 -5.820 1.00 4.53 O ATOM 897 ND2 ASN A 66 11.271 -4.253 -5.089 1.00 62.24 N ATOM 0 H ASN A 66 12.865 -2.829 -6.772 1.00 50.20 H new ATOM 0 HA ASN A 66 11.153 -0.545 -6.505 1.00 10.34 H new ATOM 0 HB2 ASN A 66 12.403 -2.197 -4.275 1.00 45.20 H new ATOM 0 HB3 ASN A 66 10.939 -1.236 -4.195 1.00 45.20 H new ATOM 0 HD21 ASN A 66 10.787 -5.096 -5.399 1.00 62.24 H new ATOM 0 HD22 ASN A 66 12.181 -4.325 -4.634 1.00 62.24 H new ATOM 903 N ARG A 67 12.549 1.169 -5.138 1.00 5.01 N ATOM 904 CA ARG A 67 13.422 2.255 -4.664 1.00 25.55 C ATOM 905 C ARG A 67 13.867 2.122 -3.204 1.00 30.31 C ATOM 906 O ARG A 67 14.354 3.096 -2.643 1.00 61.20 O ATOM 907 CB ARG A 67 12.767 3.629 -4.944 1.00 44.23 C ATOM 908 CG ARG A 67 13.152 4.085 -6.353 1.00 53.13 C ATOM 909 CD ARG A 67 12.845 5.568 -6.613 1.00 11.15 C ATOM 910 NE ARG A 67 13.940 6.204 -7.367 1.00 53.11 N ATOM 911 CZ ARG A 67 14.047 7.504 -7.641 1.00 73.14 C ATOM 912 NH1 ARG A 67 12.975 8.285 -7.579 1.00 3.43 N ATOM 913 NH2 ARG A 67 15.234 8.010 -7.956 1.00 1.04 N ATOM 0 H ARG A 67 11.554 1.391 -5.100 1.00 5.01 H new ATOM 0 HA ARG A 67 14.346 2.175 -5.237 1.00 25.55 H new ATOM 0 HB2 ARG A 67 11.683 3.555 -4.855 1.00 44.23 H new ATOM 0 HB3 ARG A 67 13.098 4.361 -4.207 1.00 44.23 H new ATOM 0 HG2 ARG A 67 14.216 3.908 -6.507 1.00 53.13 H new ATOM 0 HG3 ARG A 67 12.619 3.477 -7.083 1.00 53.13 H new ATOM 0 HD2 ARG A 67 11.913 5.659 -7.170 1.00 11.15 H new ATOM 0 HD3 ARG A 67 12.701 6.086 -5.665 1.00 11.15 H new ATOM 0 HE ARG A 67 14.683 5.595 -7.710 1.00 53.11 H new ATOM 0 HH11 ARG A 67 12.070 7.890 -7.322 1.00 3.43 H new ATOM 0 HH12 ARG A 67 13.056 9.280 -7.789 1.00 3.43 H new ATOM 0 HH21 ARG A 67 16.054 7.405 -7.987 1.00 1.04 H new ATOM 0 HH22 ARG A 67 15.325 9.004 -8.167 1.00 1.04 H new ATOM 924 N GLY A 68 13.695 0.968 -2.567 1.00 42.13 N ATOM 925 CA GLY A 68 14.047 0.785 -1.162 1.00 51.03 C ATOM 926 C GLY A 68 12.894 1.130 -0.223 1.00 64.50 C ATOM 927 O GLY A 68 12.991 0.842 0.967 1.00 23.34 O ATOM 0 H GLY A 68 13.308 0.134 -3.009 1.00 42.13 H new ATOM 0 HA2 GLY A 68 14.349 -0.249 -0.998 1.00 51.03 H new ATOM 0 HA3 GLY A 68 14.907 1.410 -0.921 1.00 51.03 H new ATOM 931 N PHE A 69 11.772 1.630 -0.751 1.00 50.04 N ATOM 932 CA PHE A 69 10.537 1.891 -0.027 1.00 43.10 C ATOM 933 C PHE A 69 9.337 1.567 -0.928 1.00 44.04 C ATOM 934 O PHE A 69 9.508 1.200 -2.097 1.00 5.43 O ATOM 935 CB PHE A 69 10.522 3.350 0.443 1.00 52.12 C ATOM 936 CG PHE A 69 10.246 4.371 -0.648 1.00 73.30 C ATOM 937 CD1 PHE A 69 11.265 4.794 -1.523 1.00 62.43 C ATOM 938 CD2 PHE A 69 8.953 4.898 -0.792 1.00 52.01 C ATOM 939 CE1 PHE A 69 10.988 5.740 -2.531 1.00 2.34 C ATOM 940 CE2 PHE A 69 8.678 5.863 -1.772 1.00 70.21 C ATOM 941 CZ PHE A 69 9.697 6.285 -2.643 1.00 52.30 C ATOM 0 H PHE A 69 11.704 1.873 -1.739 1.00 50.04 H new ATOM 0 HA PHE A 69 10.472 1.254 0.855 1.00 43.10 H new ATOM 0 HB2 PHE A 69 9.766 3.458 1.221 1.00 52.12 H new ATOM 0 HB3 PHE A 69 11.485 3.579 0.900 1.00 52.12 H new ATOM 0 HD1 PHE A 69 12.262 4.392 -1.422 1.00 62.43 H new ATOM 0 HD2 PHE A 69 8.161 4.557 -0.141 1.00 52.01 H new ATOM 0 HE1 PHE A 69 11.766 6.045 -3.215 1.00 2.34 H new ATOM 0 HE2 PHE A 69 7.686 6.281 -1.857 1.00 70.21 H new ATOM 0 HZ PHE A 69 9.488 7.028 -3.398 1.00 52.30 H new ATOM 950 N ALA A 70 8.122 1.708 -0.395 1.00 52.10 N ATOM 951 CA ALA A 70 6.863 1.731 -1.146 1.00 65.22 C ATOM 952 C ALA A 70 5.795 2.467 -0.319 1.00 74.43 C ATOM 953 O ALA A 70 6.031 2.751 0.851 1.00 21.11 O ATOM 954 CB ALA A 70 6.437 0.297 -1.496 1.00 24.01 C ATOM 0 H ALA A 70 7.981 1.813 0.610 1.00 52.10 H new ATOM 0 HA ALA A 70 6.992 2.269 -2.085 1.00 65.22 H new ATOM 0 HB1 ALA A 70 5.501 0.321 -2.054 1.00 24.01 H new ATOM 0 HB2 ALA A 70 7.210 -0.174 -2.104 1.00 24.01 H new ATOM 0 HB3 ALA A 70 6.298 -0.275 -0.579 1.00 24.01 H new ATOM 960 N PHE A 71 4.625 2.744 -0.900 1.00 51.14 N ATOM 961 CA PHE A 71 3.508 3.501 -0.313 1.00 34.31 C ATOM 962 C PHE A 71 2.272 2.602 -0.174 1.00 62.14 C ATOM 963 O PHE A 71 2.154 1.617 -0.908 1.00 25.25 O ATOM 964 CB PHE A 71 3.144 4.656 -1.263 1.00 70.01 C ATOM 965 CG PHE A 71 3.734 5.999 -0.910 1.00 33.25 C ATOM 966 CD1 PHE A 71 3.495 6.549 0.360 1.00 73.10 C ATOM 967 CD2 PHE A 71 4.442 6.738 -1.876 1.00 4.31 C ATOM 968 CE1 PHE A 71 3.957 7.835 0.665 1.00 14.41 C ATOM 969 CE2 PHE A 71 4.903 8.028 -1.570 1.00 54.22 C ATOM 970 CZ PHE A 71 4.651 8.580 -0.304 1.00 51.40 C ATOM 0 H PHE A 71 4.416 2.429 -1.848 1.00 51.14 H new ATOM 0 HA PHE A 71 3.808 3.872 0.667 1.00 34.31 H new ATOM 0 HB2 PHE A 71 3.467 4.390 -2.270 1.00 70.01 H new ATOM 0 HB3 PHE A 71 2.059 4.752 -1.291 1.00 70.01 H new ATOM 0 HD1 PHE A 71 2.955 5.980 1.102 1.00 73.10 H new ATOM 0 HD2 PHE A 71 4.630 6.313 -2.851 1.00 4.31 H new ATOM 0 HE1 PHE A 71 3.780 8.254 1.644 1.00 14.41 H new ATOM 0 HE2 PHE A 71 5.451 8.595 -2.308 1.00 54.22 H new ATOM 0 HZ PHE A 71 4.991 9.579 -0.074 1.00 51.40 H new ATOM 979 N ILE A 72 1.316 2.961 0.696 1.00 31.43 N ATOM 980 CA ILE A 72 0.019 2.284 0.814 1.00 64.20 C ATOM 981 C ILE A 72 -1.078 3.314 1.140 1.00 62.03 C ATOM 982 O ILE A 72 -1.043 3.917 2.219 1.00 45.31 O ATOM 983 CB ILE A 72 0.054 1.159 1.880 1.00 72.01 C ATOM 984 CG1 ILE A 72 1.233 0.186 1.691 1.00 13.14 C ATOM 985 CG2 ILE A 72 -1.257 0.352 1.793 1.00 2.25 C ATOM 986 CD1 ILE A 72 1.372 -0.812 2.834 1.00 4.45 C ATOM 0 H ILE A 72 1.425 3.740 1.345 1.00 31.43 H new ATOM 0 HA ILE A 72 -0.207 1.812 -0.142 1.00 64.20 H new ATOM 0 HB ILE A 72 0.174 1.640 2.851 1.00 72.01 H new ATOM 0 HG12 ILE A 72 1.101 -0.358 0.756 1.00 13.14 H new ATOM 0 HG13 ILE A 72 2.157 0.757 1.601 1.00 13.14 H new ATOM 0 HG21 ILE A 72 -1.245 -0.443 2.538 1.00 2.25 H new ATOM 0 HG22 ILE A 72 -2.104 1.012 1.980 1.00 2.25 H new ATOM 0 HG23 ILE A 72 -1.350 -0.084 0.799 1.00 2.25 H new ATOM 0 HD11 ILE A 72 2.220 -1.469 2.642 1.00 4.45 H new ATOM 0 HD12 ILE A 72 1.534 -0.275 3.768 1.00 4.45 H new ATOM 0 HD13 ILE A 72 0.462 -1.407 2.910 1.00 4.45 H new ATOM 997 N GLN A 73 -2.048 3.507 0.235 1.00 72.10 N ATOM 998 CA GLN A 73 -3.311 4.197 0.533 1.00 24.03 C ATOM 999 C GLN A 73 -4.173 3.326 1.445 1.00 62.01 C ATOM 1000 O GLN A 73 -4.272 2.122 1.210 1.00 1.52 O ATOM 1001 CB GLN A 73 -4.135 4.430 -0.741 1.00 50.53 C ATOM 1002 CG GLN A 73 -3.683 5.626 -1.579 1.00 24.23 C ATOM 1003 CD GLN A 73 -4.617 5.763 -2.776 1.00 12.54 C ATOM 1004 OE1 GLN A 73 -4.449 5.079 -3.785 1.00 12.13 O ATOM 1005 NE2 GLN A 73 -5.640 6.595 -2.680 1.00 10.41 N ATOM 0 H GLN A 73 -1.978 3.187 -0.731 1.00 72.10 H new ATOM 0 HA GLN A 73 -3.052 5.148 0.999 1.00 24.03 H new ATOM 0 HB2 GLN A 73 -4.089 3.532 -1.358 1.00 50.53 H new ATOM 0 HB3 GLN A 73 -5.179 4.572 -0.462 1.00 50.53 H new ATOM 0 HG2 GLN A 73 -3.701 6.536 -0.979 1.00 24.23 H new ATOM 0 HG3 GLN A 73 -2.656 5.486 -1.915 1.00 24.23 H new ATOM 0 HE21 GLN A 73 -5.765 7.155 -1.836 1.00 10.41 H new ATOM 0 HE22 GLN A 73 -6.305 6.677 -3.449 1.00 10.41 H new ATOM 1012 N LEU A 74 -4.868 3.936 2.400 1.00 34.25 N ATOM 1013 CA LEU A 74 -5.650 3.290 3.449 1.00 11.12 C ATOM 1014 C LEU A 74 -7.063 3.879 3.478 1.00 34.15 C ATOM 1015 O LEU A 74 -7.452 4.621 2.569 1.00 54.30 O ATOM 1016 CB LEU A 74 -4.901 3.441 4.796 1.00 50.13 C ATOM 1017 CG LEU A 74 -4.195 2.171 5.289 1.00 54.40 C ATOM 1018 CD1 LEU A 74 -5.199 1.111 5.732 1.00 52.54 C ATOM 1019 CD2 LEU A 74 -3.240 1.569 4.260 1.00 72.12 C ATOM 0 H LEU A 74 -4.903 4.953 2.466 1.00 34.25 H new ATOM 0 HA LEU A 74 -5.762 2.224 3.253 1.00 11.12 H new ATOM 0 HB2 LEU A 74 -4.161 4.235 4.696 1.00 50.13 H new ATOM 0 HB3 LEU A 74 -5.613 3.762 5.557 1.00 50.13 H new ATOM 0 HG LEU A 74 -3.597 2.488 6.144 1.00 54.40 H new ATOM 0 HD11 LEU A 74 -4.665 0.225 6.075 1.00 52.54 H new ATOM 0 HD12 LEU A 74 -5.809 1.505 6.545 1.00 52.54 H new ATOM 0 HD13 LEU A 74 -5.841 0.845 4.893 1.00 52.54 H new ATOM 0 HD21 LEU A 74 -2.776 0.674 4.674 1.00 72.12 H new ATOM 0 HD22 LEU A 74 -3.794 1.306 3.359 1.00 72.12 H new ATOM 0 HD23 LEU A 74 -2.468 2.297 4.011 1.00 72.12 H new ATOM 1030 N SER A 75 -7.859 3.528 4.489 1.00 23.34 N ATOM 1031 CA SER A 75 -9.062 4.261 4.859 1.00 33.33 C ATOM 1032 C SER A 75 -8.806 4.937 6.213 1.00 63.35 C ATOM 1033 O SER A 75 -7.878 4.564 6.931 1.00 25.34 O ATOM 1034 CB SER A 75 -10.268 3.314 4.852 1.00 2.54 C ATOM 1035 OG SER A 75 -11.477 4.038 4.700 1.00 3.44 O ATOM 0 H SER A 75 -7.681 2.715 5.079 1.00 23.34 H new ATOM 0 HA SER A 75 -9.300 5.045 4.140 1.00 33.33 H new ATOM 0 HB2 SER A 75 -10.166 2.594 4.040 1.00 2.54 H new ATOM 0 HB3 SER A 75 -10.294 2.745 5.781 1.00 2.54 H new ATOM 0 HG SER A 75 -12.233 3.415 4.696 1.00 3.44 H new ATOM 1040 N THR A 76 -9.587 5.954 6.553 1.00 21.23 N ATOM 1041 CA THR A 76 -9.246 6.964 7.547 1.00 32.13 C ATOM 1042 C THR A 76 -9.063 6.418 8.973 1.00 5.23 C ATOM 1043 O THR A 76 -8.090 6.789 9.638 1.00 25.10 O ATOM 1044 CB THR A 76 -10.276 8.119 7.478 1.00 74.25 C ATOM 1045 OG1 THR A 76 -11.329 7.853 6.557 1.00 4.54 O ATOM 1046 CG2 THR A 76 -9.567 9.397 7.034 1.00 14.44 C ATOM 0 H THR A 76 -10.504 6.104 6.132 1.00 21.23 H new ATOM 0 HA THR A 76 -8.258 7.347 7.293 1.00 32.13 H new ATOM 0 HB THR A 76 -10.710 8.226 8.472 1.00 74.25 H new ATOM 0 HG1 THR A 76 -11.955 8.607 6.549 1.00 4.54 H new ATOM 0 HG21 THR A 76 -10.287 10.214 6.984 1.00 14.44 H new ATOM 0 HG22 THR A 76 -8.785 9.647 7.751 1.00 14.44 H new ATOM 0 HG23 THR A 76 -9.123 9.244 6.051 1.00 14.44 H new ATOM 1054 N ILE A 77 -9.956 5.550 9.467 1.00 53.15 N ATOM 1055 CA ILE A 77 -9.811 4.930 10.790 1.00 63.05 C ATOM 1056 C ILE A 77 -8.613 3.985 10.756 1.00 71.03 C ATOM 1057 O ILE A 77 -7.785 3.945 11.670 1.00 53.31 O ATOM 1058 CB ILE A 77 -11.105 4.173 11.177 1.00 2.24 C ATOM 1059 CG1 ILE A 77 -12.279 5.154 11.386 1.00 33.20 C ATOM 1060 CG2 ILE A 77 -10.901 3.290 12.418 1.00 51.34 C ATOM 1061 CD1 ILE A 77 -13.613 4.432 11.605 1.00 31.44 C ATOM 0 H ILE A 77 -10.794 5.259 8.964 1.00 53.15 H new ATOM 0 HA ILE A 77 -9.643 5.699 11.545 1.00 63.05 H new ATOM 0 HB ILE A 77 -11.355 3.514 10.346 1.00 2.24 H new ATOM 0 HG12 ILE A 77 -12.068 5.790 12.245 1.00 33.20 H new ATOM 0 HG13 ILE A 77 -12.361 5.808 10.518 1.00 33.20 H new ATOM 0 HG21 ILE A 77 -11.832 2.776 12.656 1.00 51.34 H new ATOM 0 HG22 ILE A 77 -10.122 2.555 12.217 1.00 51.34 H new ATOM 0 HG23 ILE A 77 -10.604 3.912 13.262 1.00 51.34 H new ATOM 0 HD11 ILE A 77 -14.405 5.167 11.747 1.00 31.44 H new ATOM 0 HD12 ILE A 77 -13.841 3.816 10.735 1.00 31.44 H new ATOM 0 HD13 ILE A 77 -13.543 3.799 12.489 1.00 31.44 H new ATOM 1072 N GLU A 78 -8.535 3.201 9.684 1.00 14.11 N ATOM 1073 CA GLU A 78 -7.573 2.130 9.524 1.00 33.21 C ATOM 1074 C GLU A 78 -6.142 2.667 9.535 1.00 73.31 C ATOM 1075 O GLU A 78 -5.209 1.979 9.958 1.00 41.10 O ATOM 1076 CB GLU A 78 -7.866 1.400 8.213 1.00 64.30 C ATOM 1077 CG GLU A 78 -9.270 0.795 8.188 1.00 10.24 C ATOM 1078 CD GLU A 78 -9.399 -0.153 7.000 1.00 73.11 C ATOM 1079 OE1 GLU A 78 -8.893 -1.297 7.143 1.00 41.20 O ATOM 1080 OE2 GLU A 78 -9.961 0.250 5.962 1.00 73.00 O ATOM 0 H GLU A 78 -9.160 3.301 8.884 1.00 14.11 H new ATOM 0 HA GLU A 78 -7.664 1.437 10.360 1.00 33.21 H new ATOM 0 HB2 GLU A 78 -7.757 2.095 7.380 1.00 64.30 H new ATOM 0 HB3 GLU A 78 -7.129 0.610 8.067 1.00 64.30 H new ATOM 0 HG2 GLU A 78 -9.462 0.258 9.117 1.00 10.24 H new ATOM 0 HG3 GLU A 78 -10.016 1.586 8.117 1.00 10.24 H new ATOM 1085 N ALA A 79 -5.979 3.928 9.135 1.00 33.22 N ATOM 1086 CA ALA A 79 -4.759 4.675 8.993 1.00 25.31 C ATOM 1087 C ALA A 79 -4.354 5.242 10.354 1.00 13.12 C ATOM 1088 O ALA A 79 -3.878 6.376 10.486 1.00 32.22 O ATOM 1089 CB ALA A 79 -5.000 5.796 7.974 1.00 21.02 C ATOM 0 H ALA A 79 -6.787 4.496 8.880 1.00 33.22 H new ATOM 0 HA ALA A 79 -3.949 4.038 8.638 1.00 25.31 H new ATOM 0 HB1 ALA A 79 -4.086 6.377 7.850 1.00 21.02 H new ATOM 0 HB2 ALA A 79 -5.287 5.362 7.016 1.00 21.02 H new ATOM 0 HB3 ALA A 79 -5.798 6.447 8.331 1.00 21.02 H new ATOM 1095 N ALA A 80 -4.553 4.437 11.388 1.00 53.10 N ATOM 1096 CA ALA A 80 -4.004 4.683 12.688 1.00 74.44 C ATOM 1097 C ALA A 80 -3.710 3.341 13.344 1.00 44.32 C ATOM 1098 O ALA A 80 -2.563 3.038 13.678 1.00 3.12 O ATOM 1099 CB ALA A 80 -4.981 5.527 13.518 1.00 53.11 C ATOM 0 H ALA A 80 -5.111 3.585 11.333 1.00 53.10 H new ATOM 0 HA ALA A 80 -3.075 5.249 12.616 1.00 74.44 H new ATOM 0 HB1 ALA A 80 -4.556 5.710 14.505 1.00 53.11 H new ATOM 0 HB2 ALA A 80 -5.156 6.479 13.017 1.00 53.11 H new ATOM 0 HB3 ALA A 80 -5.925 4.993 13.623 1.00 53.11 H new ATOM 1105 N GLN A 81 -4.771 2.549 13.497 1.00 24.25 N ATOM 1106 CA GLN A 81 -4.811 1.283 14.205 1.00 31.33 C ATOM 1107 C GLN A 81 -3.837 0.272 13.598 1.00 54.40 C ATOM 1108 O GLN A 81 -3.179 -0.462 14.340 1.00 45.43 O ATOM 1109 CB GLN A 81 -6.280 0.803 14.244 1.00 52.44 C ATOM 1110 CG GLN A 81 -6.808 0.205 12.927 1.00 63.22 C ATOM 1111 CD GLN A 81 -8.305 -0.137 12.923 1.00 65.24 C ATOM 1112 OE1 GLN A 81 -9.052 0.144 13.855 1.00 30.23 O ATOM 1113 NE2 GLN A 81 -8.788 -0.749 11.850 1.00 61.32 N ATOM 0 H GLN A 81 -5.679 2.796 13.103 1.00 24.25 H new ATOM 0 HA GLN A 81 -4.469 1.401 15.233 1.00 31.33 H new ATOM 0 HB2 GLN A 81 -6.381 0.055 15.030 1.00 52.44 H new ATOM 0 HB3 GLN A 81 -6.914 1.645 14.522 1.00 52.44 H new ATOM 0 HG2 GLN A 81 -6.610 0.911 12.120 1.00 63.22 H new ATOM 0 HG3 GLN A 81 -6.243 -0.700 12.705 1.00 63.22 H new ATOM 0 HE21 GLN A 81 -8.168 -0.983 11.074 1.00 61.32 H new ATOM 0 HE22 GLN A 81 -9.779 -0.985 11.800 1.00 61.32 H new ATOM 1120 N LEU A 82 -3.712 0.241 12.263 1.00 63.13 N ATOM 1121 CA LEU A 82 -2.936 -0.798 11.599 1.00 73.10 C ATOM 1122 C LEU A 82 -1.466 -0.726 11.967 1.00 51.33 C ATOM 1123 O LEU A 82 -0.854 -1.770 12.169 1.00 2.13 O ATOM 1124 CB LEU A 82 -3.118 -0.747 10.072 1.00 3.43 C ATOM 1125 CG LEU A 82 -4.232 -1.717 9.635 1.00 31.45 C ATOM 1126 CD1 LEU A 82 -4.655 -1.397 8.202 1.00 45.23 C ATOM 1127 CD2 LEU A 82 -3.821 -3.196 9.709 1.00 2.33 C ATOM 0 H LEU A 82 -4.137 0.921 11.633 1.00 63.13 H new ATOM 0 HA LEU A 82 -3.319 -1.755 11.954 1.00 73.10 H new ATOM 0 HB2 LEU A 82 -3.368 0.268 9.762 1.00 3.43 H new ATOM 0 HB3 LEU A 82 -2.183 -1.010 9.578 1.00 3.43 H new ATOM 0 HG LEU A 82 -5.056 -1.575 10.334 1.00 31.45 H new ATOM 0 HD11 LEU A 82 -5.443 -2.084 7.893 1.00 45.23 H new ATOM 0 HD12 LEU A 82 -5.026 -0.373 8.152 1.00 45.23 H new ATOM 0 HD13 LEU A 82 -3.798 -1.506 7.537 1.00 45.23 H new ATOM 0 HD21 LEU A 82 -4.654 -3.822 9.387 1.00 2.33 H new ATOM 0 HD22 LEU A 82 -2.964 -3.369 9.057 1.00 2.33 H new ATOM 0 HD23 LEU A 82 -3.553 -3.448 10.735 1.00 2.33 H new ATOM 1138 N LEU A 83 -0.899 0.476 12.120 1.00 72.03 N ATOM 1139 CA LEU A 83 0.512 0.624 12.431 1.00 4.35 C ATOM 1140 C LEU A 83 0.865 -0.140 13.707 1.00 50.33 C ATOM 1141 O LEU A 83 1.924 -0.753 13.776 1.00 62.44 O ATOM 1142 CB LEU A 83 0.829 2.111 12.598 1.00 42.21 C ATOM 1143 CG LEU A 83 2.344 2.380 12.572 1.00 71.24 C ATOM 1144 CD1 LEU A 83 2.855 2.480 11.128 1.00 65.10 C ATOM 1145 CD2 LEU A 83 2.637 3.668 13.337 1.00 32.11 C ATOM 0 H LEU A 83 -1.404 1.358 12.032 1.00 72.03 H new ATOM 0 HA LEU A 83 1.107 0.211 11.617 1.00 4.35 H new ATOM 0 HB2 LEU A 83 0.346 2.677 11.802 1.00 42.21 H new ATOM 0 HB3 LEU A 83 0.413 2.468 13.540 1.00 42.21 H new ATOM 0 HG LEU A 83 2.864 1.550 13.050 1.00 71.24 H new ATOM 0 HD11 LEU A 83 3.928 2.670 11.134 1.00 65.10 H new ATOM 0 HD12 LEU A 83 2.655 1.544 10.606 1.00 65.10 H new ATOM 0 HD13 LEU A 83 2.345 3.296 10.617 1.00 65.10 H new ATOM 0 HD21 LEU A 83 3.709 3.864 13.322 1.00 32.11 H new ATOM 0 HD22 LEU A 83 2.110 4.498 12.867 1.00 32.11 H new ATOM 0 HD23 LEU A 83 2.302 3.563 14.369 1.00 32.11 H new ATOM 1156 N GLN A 84 -0.023 -0.123 14.704 1.00 25.11 N ATOM 1157 CA GLN A 84 0.265 -0.718 16.003 1.00 54.24 C ATOM 1158 C GLN A 84 0.275 -2.247 15.926 1.00 22.51 C ATOM 1159 O GLN A 84 1.019 -2.888 16.673 1.00 54.31 O ATOM 1160 CB GLN A 84 -0.735 -0.166 17.033 1.00 41.02 C ATOM 1161 CG GLN A 84 -0.361 1.284 17.383 1.00 30.42 C ATOM 1162 CD GLN A 84 -1.339 1.902 18.371 1.00 45.44 C ATOM 1163 OE1 GLN A 84 -1.422 1.495 19.528 1.00 31.42 O ATOM 1164 NE2 GLN A 84 -2.103 2.889 17.945 1.00 71.20 N ATOM 0 H GLN A 84 -0.949 0.299 14.632 1.00 25.11 H new ATOM 0 HA GLN A 84 1.268 -0.442 16.327 1.00 54.24 H new ATOM 0 HB2 GLN A 84 -1.747 -0.205 16.630 1.00 41.02 H new ATOM 0 HB3 GLN A 84 -0.726 -0.783 17.932 1.00 41.02 H new ATOM 0 HG2 GLN A 84 0.644 1.308 17.805 1.00 30.42 H new ATOM 0 HG3 GLN A 84 -0.339 1.883 16.472 1.00 30.42 H new ATOM 0 HE21 GLN A 84 -2.023 3.217 16.982 1.00 71.20 H new ATOM 0 HE22 GLN A 84 -2.773 3.325 18.578 1.00 71.20 H new ATOM 1171 N ILE A 85 -0.484 -2.828 14.989 1.00 51.43 N ATOM 1172 CA ILE A 85 -0.436 -4.252 14.674 1.00 34.43 C ATOM 1173 C ILE A 85 0.891 -4.538 13.955 1.00 10.11 C ATOM 1174 O ILE A 85 1.603 -5.479 14.302 1.00 33.12 O ATOM 1175 CB ILE A 85 -1.673 -4.670 13.839 1.00 73.12 C ATOM 1176 CG1 ILE A 85 -2.978 -4.370 14.608 1.00 21.05 C ATOM 1177 CG2 ILE A 85 -1.621 -6.174 13.509 1.00 34.04 C ATOM 1178 CD1 ILE A 85 -4.242 -4.509 13.760 1.00 5.23 C ATOM 0 H ILE A 85 -1.157 -2.311 14.423 1.00 51.43 H new ATOM 0 HA ILE A 85 -0.474 -4.850 15.584 1.00 34.43 H new ATOM 0 HB ILE A 85 -1.658 -4.094 12.914 1.00 73.12 H new ATOM 0 HG12 ILE A 85 -3.049 -5.045 15.461 1.00 21.05 H new ATOM 0 HG13 ILE A 85 -2.929 -3.356 15.006 1.00 21.05 H new ATOM 0 HG21 ILE A 85 -2.498 -6.448 12.922 1.00 34.04 H new ATOM 0 HG22 ILE A 85 -0.719 -6.390 12.936 1.00 34.04 H new ATOM 0 HG23 ILE A 85 -1.609 -6.749 14.435 1.00 34.04 H new ATOM 0 HD11 ILE A 85 -5.116 -4.282 14.370 1.00 5.23 H new ATOM 0 HD12 ILE A 85 -4.195 -3.815 12.921 1.00 5.23 H new ATOM 0 HD13 ILE A 85 -4.317 -5.529 13.383 1.00 5.23 H new ATOM 1189 N LEU A 86 1.243 -3.722 12.956 1.00 4.02 N ATOM 1190 CA LEU A 86 2.390 -3.973 12.086 1.00 70.54 C ATOM 1191 C LEU A 86 3.715 -3.926 12.836 1.00 62.44 C ATOM 1192 O LEU A 86 4.646 -4.629 12.450 1.00 61.41 O ATOM 1193 CB LEU A 86 2.421 -2.974 10.917 1.00 11.42 C ATOM 1194 CG LEU A 86 1.750 -3.552 9.667 1.00 34.24 C ATOM 1195 CD1 LEU A 86 0.234 -3.705 9.829 1.00 45.53 C ATOM 1196 CD2 LEU A 86 2.034 -2.656 8.463 1.00 33.14 C ATOM 0 H LEU A 86 0.736 -2.866 12.730 1.00 4.02 H new ATOM 0 HA LEU A 86 2.265 -4.984 11.697 1.00 70.54 H new ATOM 0 HB2 LEU A 86 1.916 -2.054 11.210 1.00 11.42 H new ATOM 0 HB3 LEU A 86 3.454 -2.712 10.688 1.00 11.42 H new ATOM 0 HG LEU A 86 2.170 -4.546 9.514 1.00 34.24 H new ATOM 0 HD11 LEU A 86 -0.190 -4.119 8.914 1.00 45.53 H new ATOM 0 HD12 LEU A 86 0.023 -4.376 10.662 1.00 45.53 H new ATOM 0 HD13 LEU A 86 -0.211 -2.730 10.027 1.00 45.53 H new ATOM 0 HD21 LEU A 86 1.554 -3.073 7.578 1.00 33.14 H new ATOM 0 HD22 LEU A 86 1.641 -1.657 8.652 1.00 33.14 H new ATOM 0 HD23 LEU A 86 3.110 -2.598 8.299 1.00 33.14 H new ATOM 1207 N GLN A 87 3.797 -3.153 13.918 1.00 70.43 N ATOM 1208 CA GLN A 87 4.952 -3.066 14.811 1.00 10.31 C ATOM 1209 C GLN A 87 5.285 -4.399 15.497 1.00 34.54 C ATOM 1210 O GLN A 87 6.235 -4.448 16.279 1.00 65.12 O ATOM 1211 CB GLN A 87 4.661 -1.987 15.867 1.00 33.21 C ATOM 1212 CG GLN A 87 4.732 -0.565 15.294 1.00 25.43 C ATOM 1213 CD GLN A 87 6.144 0.017 15.223 1.00 21.32 C ATOM 1214 OE1 GLN A 87 7.142 -0.660 15.454 1.00 61.51 O ATOM 1215 NE2 GLN A 87 6.265 1.301 14.924 1.00 50.14 N ATOM 0 H GLN A 87 3.030 -2.546 14.208 1.00 70.43 H new ATOM 0 HA GLN A 87 5.825 -2.807 14.212 1.00 10.31 H new ATOM 0 HB2 GLN A 87 3.670 -2.155 16.289 1.00 33.21 H new ATOM 0 HB3 GLN A 87 5.376 -2.081 16.684 1.00 33.21 H new ATOM 0 HG2 GLN A 87 4.303 -0.568 14.292 1.00 25.43 H new ATOM 0 HG3 GLN A 87 4.112 0.091 15.905 1.00 25.43 H new ATOM 0 HE21 GLN A 87 5.434 1.861 14.733 1.00 50.14 H new ATOM 0 HE22 GLN A 87 7.189 1.731 14.885 1.00 50.14 H new ATOM 1222 N ALA A 88 4.516 -5.462 15.247 1.00 70.44 N ATOM 1223 CA ALA A 88 4.675 -6.763 15.878 1.00 3.44 C ATOM 1224 C ALA A 88 4.908 -7.890 14.867 1.00 25.35 C ATOM 1225 O ALA A 88 4.998 -9.046 15.284 1.00 74.11 O ATOM 1226 CB ALA A 88 3.449 -7.038 16.756 1.00 44.24 C ATOM 0 H ALA A 88 3.745 -5.434 14.580 1.00 70.44 H new ATOM 0 HA ALA A 88 5.573 -6.738 16.496 1.00 3.44 H new ATOM 0 HB1 ALA A 88 3.556 -8.011 17.235 1.00 44.24 H new ATOM 0 HB2 ALA A 88 3.367 -6.264 17.520 1.00 44.24 H new ATOM 0 HB3 ALA A 88 2.551 -7.034 16.138 1.00 44.24 H new ATOM 1232 N LEU A 89 4.998 -7.614 13.559 1.00 13.24 N ATOM 1233 CA LEU A 89 5.167 -8.657 12.547 1.00 52.13 C ATOM 1234 C LEU A 89 6.097 -8.194 11.428 1.00 44.12 C ATOM 1235 O LEU A 89 6.248 -6.997 11.189 1.00 30.34 O ATOM 1236 CB LEU A 89 3.786 -9.102 12.018 1.00 21.54 C ATOM 1237 CG LEU A 89 3.059 -8.105 11.078 1.00 24.35 C ATOM 1238 CD1 LEU A 89 3.197 -8.502 9.612 1.00 45.52 C ATOM 1239 CD2 LEU A 89 1.575 -7.993 11.437 1.00 10.15 C ATOM 0 H LEU A 89 4.956 -6.669 13.178 1.00 13.24 H new ATOM 0 HA LEU A 89 5.644 -9.524 13.004 1.00 52.13 H new ATOM 0 HB2 LEU A 89 3.910 -10.045 11.486 1.00 21.54 H new ATOM 0 HB3 LEU A 89 3.139 -9.301 12.873 1.00 21.54 H new ATOM 0 HG LEU A 89 3.538 -7.136 11.219 1.00 24.35 H new ATOM 0 HD11 LEU A 89 2.674 -7.778 8.988 1.00 45.52 H new ATOM 0 HD12 LEU A 89 4.252 -8.522 9.338 1.00 45.52 H new ATOM 0 HD13 LEU A 89 2.764 -9.491 9.461 1.00 45.52 H new ATOM 0 HD21 LEU A 89 1.090 -7.288 10.762 1.00 10.15 H new ATOM 0 HD22 LEU A 89 1.103 -8.971 11.341 1.00 10.15 H new ATOM 0 HD23 LEU A 89 1.475 -7.641 12.464 1.00 10.15 H new ATOM 1250 N HIS A 90 6.654 -9.153 10.692 1.00 74.21 N ATOM 1251 CA HIS A 90 7.252 -8.952 9.375 1.00 70.21 C ATOM 1252 C HIS A 90 6.536 -9.884 8.388 1.00 74.32 C ATOM 1253 O HIS A 90 6.005 -10.922 8.813 1.00 72.22 O ATOM 1254 CB HIS A 90 8.759 -9.256 9.401 1.00 73.31 C ATOM 1255 CG HIS A 90 9.616 -8.263 10.150 1.00 51.30 C ATOM 1256 ND1 HIS A 90 9.637 -6.894 9.982 1.00 65.31 N ATOM 1257 CD2 HIS A 90 10.612 -8.579 11.037 1.00 13.45 C ATOM 1258 CE1 HIS A 90 10.622 -6.400 10.748 1.00 74.20 C ATOM 1259 NE2 HIS A 90 11.249 -7.388 11.410 1.00 31.15 N ATOM 0 H HIS A 90 6.703 -10.122 11.006 1.00 74.21 H new ATOM 0 HA HIS A 90 7.137 -7.912 9.071 1.00 70.21 H new ATOM 0 HB2 HIS A 90 8.904 -10.241 9.845 1.00 73.31 H new ATOM 0 HB3 HIS A 90 9.117 -9.314 8.373 1.00 73.31 H new ATOM 0 HD1 HIS A 90 9.014 -6.353 9.382 1.00 65.31 H new ATOM 0 HD2 HIS A 90 10.862 -9.570 11.386 1.00 13.45 H new ATOM 0 HE1 HIS A 90 10.876 -5.353 10.822 1.00 74.20 H new ATOM 1266 N PRO A 91 6.488 -9.550 7.087 1.00 30.24 N ATOM 1267 CA PRO A 91 5.887 -10.420 6.086 1.00 2.05 C ATOM 1268 C PRO A 91 6.837 -11.558 5.696 1.00 62.50 C ATOM 1269 O PRO A 91 8.054 -11.360 5.727 1.00 4.03 O ATOM 1270 CB PRO A 91 5.626 -9.509 4.891 1.00 2.51 C ATOM 1271 CG PRO A 91 6.754 -8.484 4.971 1.00 10.15 C ATOM 1272 CD PRO A 91 6.937 -8.303 6.479 1.00 11.14 C ATOM 0 HA PRO A 91 4.979 -10.897 6.455 1.00 2.05 H new ATOM 0 HB2 PRO A 91 5.652 -10.062 3.952 1.00 2.51 H new ATOM 0 HB3 PRO A 91 4.647 -9.034 4.955 1.00 2.51 H new ATOM 0 HG2 PRO A 91 7.664 -8.846 4.493 1.00 10.15 H new ATOM 0 HG3 PRO A 91 6.486 -7.548 4.480 1.00 10.15 H new ATOM 0 HD2 PRO A 91 7.980 -8.102 6.725 1.00 11.14 H new ATOM 0 HD3 PRO A 91 6.354 -7.458 6.845 1.00 11.14 H new ATOM 1277 N PRO A 92 6.317 -12.702 5.213 1.00 61.13 N ATOM 1278 CA PRO A 92 7.119 -13.887 4.913 1.00 4.04 C ATOM 1279 C PRO A 92 8.055 -13.732 3.705 1.00 24.52 C ATOM 1280 O PRO A 92 8.868 -14.619 3.442 1.00 60.42 O ATOM 1281 CB PRO A 92 6.099 -15.013 4.693 1.00 42.44 C ATOM 1282 CG PRO A 92 4.857 -14.279 4.189 1.00 4.12 C ATOM 1283 CD PRO A 92 4.904 -12.981 4.992 1.00 31.35 C ATOM 0 HA PRO A 92 7.805 -14.089 5.736 1.00 4.04 H new ATOM 0 HB2 PRO A 92 6.457 -15.742 3.966 1.00 42.44 H new ATOM 0 HB3 PRO A 92 5.897 -15.557 5.616 1.00 42.44 H new ATOM 0 HG2 PRO A 92 4.900 -14.096 3.115 1.00 4.12 H new ATOM 0 HG3 PRO A 92 3.944 -14.844 4.380 1.00 4.12 H new ATOM 0 HD2 PRO A 92 4.425 -12.167 4.448 1.00 31.35 H new ATOM 0 HD3 PRO A 92 4.374 -13.087 5.938 1.00 31.35 H new ATOM 1288 N LEU A 93 7.955 -12.632 2.956 1.00 70.22 N ATOM 1289 CA LEU A 93 8.766 -12.356 1.774 1.00 21.44 C ATOM 1290 C LEU A 93 10.137 -11.810 2.182 1.00 14.05 C ATOM 1291 O LEU A 93 10.471 -10.642 1.927 1.00 5.14 O ATOM 1292 CB LEU A 93 7.985 -11.428 0.823 1.00 45.24 C ATOM 1293 CG LEU A 93 7.334 -12.146 -0.369 1.00 43.10 C ATOM 1294 CD1 LEU A 93 8.422 -12.675 -1.312 1.00 43.44 C ATOM 1295 CD2 LEU A 93 6.362 -13.248 0.061 1.00 51.30 C ATOM 0 H LEU A 93 7.288 -11.889 3.163 1.00 70.22 H new ATOM 0 HA LEU A 93 8.965 -13.276 1.225 1.00 21.44 H new ATOM 0 HB2 LEU A 93 7.209 -10.915 1.391 1.00 45.24 H new ATOM 0 HB3 LEU A 93 8.662 -10.662 0.445 1.00 45.24 H new ATOM 0 HG LEU A 93 6.727 -11.418 -0.908 1.00 43.10 H new ATOM 0 HD11 LEU A 93 7.956 -13.184 -2.156 1.00 43.44 H new ATOM 0 HD12 LEU A 93 9.023 -11.842 -1.677 1.00 43.44 H new ATOM 0 HD13 LEU A 93 9.061 -13.375 -0.774 1.00 43.44 H new ATOM 0 HD21 LEU A 93 5.933 -13.720 -0.823 1.00 51.30 H new ATOM 0 HD22 LEU A 93 6.896 -13.995 0.648 1.00 51.30 H new ATOM 0 HD23 LEU A 93 5.564 -12.815 0.664 1.00 51.30 H new ATOM 1306 N THR A 94 10.930 -12.645 2.845 1.00 53.02 N ATOM 1307 CA THR A 94 12.298 -12.331 3.216 1.00 22.42 C ATOM 1308 C THR A 94 13.199 -12.684 2.027 1.00 3.24 C ATOM 1309 O THR A 94 13.589 -13.840 1.822 1.00 20.22 O ATOM 1310 CB THR A 94 12.707 -13.035 4.524 1.00 61.44 C ATOM 1311 OG1 THR A 94 11.591 -13.350 5.346 1.00 13.01 O ATOM 1312 CG2 THR A 94 13.652 -12.191 5.355 1.00 41.03 C ATOM 0 H THR A 94 10.632 -13.574 3.143 1.00 53.02 H new ATOM 0 HA THR A 94 12.403 -11.267 3.430 1.00 22.42 H new ATOM 0 HB THR A 94 13.201 -13.952 4.203 1.00 61.44 H new ATOM 0 HG1 THR A 94 11.901 -13.796 6.162 1.00 13.01 H new ATOM 0 HG21 THR A 94 13.913 -12.728 6.267 1.00 41.03 H new ATOM 0 HG22 THR A 94 14.557 -11.987 4.782 1.00 41.03 H new ATOM 0 HG23 THR A 94 13.167 -11.250 5.614 1.00 41.03 H new ATOM 1320 N ILE A 95 13.473 -11.679 1.204 1.00 5.01 N ATOM 1321 CA ILE A 95 14.391 -11.775 0.084 1.00 44.43 C ATOM 1322 C ILE A 95 15.769 -11.348 0.604 1.00 25.52 C ATOM 1323 O ILE A 95 15.872 -10.387 1.368 1.00 73.42 O ATOM 1324 CB ILE A 95 13.852 -10.933 -1.100 1.00 43.43 C ATOM 1325 CG1 ILE A 95 14.686 -11.117 -2.383 1.00 22.44 C ATOM 1326 CG2 ILE A 95 13.782 -9.428 -0.796 1.00 5.24 C ATOM 1327 CD1 ILE A 95 14.383 -12.425 -3.113 1.00 52.30 C ATOM 0 H ILE A 95 13.052 -10.755 1.302 1.00 5.01 H new ATOM 0 HA ILE A 95 14.484 -12.787 -0.311 1.00 44.43 H new ATOM 0 HB ILE A 95 12.842 -11.312 -1.255 1.00 43.43 H new ATOM 0 HG12 ILE A 95 14.496 -10.280 -3.055 1.00 22.44 H new ATOM 0 HG13 ILE A 95 15.745 -11.087 -2.128 1.00 22.44 H new ATOM 0 HG21 ILE A 95 13.396 -8.898 -1.667 1.00 5.24 H new ATOM 0 HG22 ILE A 95 13.121 -9.259 0.054 1.00 5.24 H new ATOM 0 HG23 ILE A 95 14.779 -9.058 -0.559 1.00 5.24 H new ATOM 0 HD11 ILE A 95 15.002 -12.494 -4.007 1.00 52.30 H new ATOM 0 HD12 ILE A 95 14.599 -13.267 -2.456 1.00 52.30 H new ATOM 0 HD13 ILE A 95 13.331 -12.448 -3.398 1.00 52.30 H new ATOM 1338 N ASP A 96 16.812 -12.061 0.185 1.00 53.32 N ATOM 1339 CA ASP A 96 18.261 -11.860 0.373 1.00 62.34 C ATOM 1340 C ASP A 96 18.761 -11.780 1.826 1.00 25.54 C ATOM 1341 O ASP A 96 19.947 -11.978 2.077 1.00 32.33 O ATOM 1342 CB ASP A 96 18.721 -10.659 -0.464 1.00 42.13 C ATOM 1343 CG ASP A 96 20.239 -10.459 -0.449 1.00 32.45 C ATOM 1344 OD1 ASP A 96 20.965 -11.158 -1.186 1.00 13.01 O ATOM 1345 OD2 ASP A 96 20.703 -9.522 0.238 1.00 71.10 O ATOM 0 H ASP A 96 16.647 -12.903 -0.366 1.00 53.32 H new ATOM 0 HA ASP A 96 18.731 -12.777 0.017 1.00 62.34 H new ATOM 0 HB2 ASP A 96 18.389 -10.793 -1.493 1.00 42.13 H new ATOM 0 HB3 ASP A 96 18.238 -9.757 -0.089 1.00 42.13 H new ATOM 1349 N GLY A 97 17.879 -11.573 2.805 1.00 70.42 N ATOM 1350 CA GLY A 97 18.186 -11.509 4.226 1.00 53.24 C ATOM 1351 C GLY A 97 17.775 -10.191 4.872 1.00 2.42 C ATOM 1352 O GLY A 97 18.468 -9.737 5.787 1.00 24.22 O ATOM 0 H GLY A 97 16.886 -11.440 2.615 1.00 70.42 H new ATOM 0 HA2 GLY A 97 17.682 -12.329 4.737 1.00 53.24 H new ATOM 0 HA3 GLY A 97 19.257 -11.656 4.366 1.00 53.24 H new ATOM 1356 N LYS A 98 16.699 -9.541 4.409 1.00 50.34 N ATOM 1357 CA LYS A 98 16.205 -8.297 5.004 1.00 13.34 C ATOM 1358 C LYS A 98 14.732 -8.381 5.366 1.00 74.23 C ATOM 1359 O LYS A 98 14.019 -9.240 4.864 1.00 65.12 O ATOM 1360 CB LYS A 98 16.577 -7.075 4.171 1.00 53.34 C ATOM 1361 CG LYS A 98 16.543 -7.288 2.671 1.00 30.13 C ATOM 1362 CD LYS A 98 15.142 -7.568 2.157 1.00 10.32 C ATOM 1363 CE LYS A 98 14.267 -6.317 2.129 1.00 44.14 C ATOM 1364 NZ LYS A 98 12.860 -6.682 1.886 1.00 34.33 N ATOM 0 H LYS A 98 16.149 -9.864 3.613 1.00 50.34 H new ATOM 0 HA LYS A 98 16.722 -8.160 5.954 1.00 13.34 H new ATOM 0 HB2 LYS A 98 15.897 -6.262 4.423 1.00 53.34 H new ATOM 0 HB3 LYS A 98 17.579 -6.752 4.454 1.00 53.34 H new ATOM 0 HG2 LYS A 98 16.940 -6.404 2.172 1.00 30.13 H new ATOM 0 HG3 LYS A 98 17.196 -8.121 2.410 1.00 30.13 H new ATOM 0 HD2 LYS A 98 15.204 -7.986 1.152 1.00 10.32 H new ATOM 0 HD3 LYS A 98 14.671 -8.322 2.788 1.00 10.32 H new ATOM 0 HE2 LYS A 98 14.353 -5.784 3.076 1.00 44.14 H new ATOM 0 HE3 LYS A 98 14.614 -5.640 1.349 1.00 44.14 H new ATOM 0 HZ1 LYS A 98 12.334 -5.843 1.569 1.00 34.33 H new ATOM 0 HZ2 LYS A 98 12.814 -7.418 1.152 1.00 34.33 H new ATOM 0 HZ3 LYS A 98 12.438 -7.043 2.765 1.00 34.33 H new ATOM 1374 N THR A 99 14.273 -7.445 6.184 1.00 73.31 N ATOM 1375 CA THR A 99 12.925 -7.422 6.724 1.00 45.34 C ATOM 1376 C THR A 99 12.318 -6.037 6.495 1.00 13.41 C ATOM 1377 O THR A 99 13.053 -5.057 6.350 1.00 42.40 O ATOM 1378 CB THR A 99 12.980 -7.866 8.199 1.00 53.10 C ATOM 1379 OG1 THR A 99 14.026 -7.240 8.930 1.00 54.10 O ATOM 1380 CG2 THR A 99 13.271 -9.369 8.281 1.00 30.41 C ATOM 0 H THR A 99 14.845 -6.661 6.498 1.00 73.31 H new ATOM 0 HA THR A 99 12.264 -8.124 6.216 1.00 45.34 H new ATOM 0 HB THR A 99 12.013 -7.592 8.622 1.00 53.10 H new ATOM 0 HG1 THR A 99 14.012 -7.557 9.857 1.00 54.10 H new ATOM 0 HG21 THR A 99 13.308 -9.676 9.326 1.00 30.41 H new ATOM 0 HG22 THR A 99 12.483 -9.921 7.769 1.00 30.41 H new ATOM 0 HG23 THR A 99 14.229 -9.581 7.806 1.00 30.41 H new ATOM 1388 N ILE A 100 10.988 -5.970 6.396 1.00 45.02 N ATOM 1389 CA ILE A 100 10.235 -4.756 6.071 1.00 61.32 C ATOM 1390 C ILE A 100 9.971 -4.018 7.375 1.00 11.34 C ATOM 1391 O ILE A 100 9.499 -4.629 8.337 1.00 32.23 O ATOM 1392 CB ILE A 100 8.918 -5.126 5.361 1.00 41.41 C ATOM 1393 CG1 ILE A 100 9.169 -6.051 4.153 1.00 64.32 C ATOM 1394 CG2 ILE A 100 8.157 -3.869 4.906 1.00 23.55 C ATOM 1395 CD1 ILE A 100 10.325 -5.589 3.263 1.00 24.35 C ATOM 0 H ILE A 100 10.388 -6.782 6.544 1.00 45.02 H new ATOM 0 HA ILE A 100 10.799 -4.116 5.393 1.00 61.32 H new ATOM 0 HB ILE A 100 8.306 -5.662 6.086 1.00 41.41 H new ATOM 0 HG12 ILE A 100 9.378 -7.058 4.513 1.00 64.32 H new ATOM 0 HG13 ILE A 100 8.260 -6.109 3.554 1.00 64.32 H new ATOM 0 HG21 ILE A 100 7.233 -4.163 4.409 1.00 23.55 H new ATOM 0 HG22 ILE A 100 7.922 -3.252 5.773 1.00 23.55 H new ATOM 0 HG23 ILE A 100 8.776 -3.300 4.213 1.00 23.55 H new ATOM 0 HD11 ILE A 100 10.446 -6.285 2.433 1.00 24.35 H new ATOM 0 HD12 ILE A 100 10.109 -4.594 2.874 1.00 24.35 H new ATOM 0 HD13 ILE A 100 11.244 -5.558 3.848 1.00 24.35 H new ATOM 1406 N ASN A 101 10.257 -2.718 7.402 1.00 33.12 N ATOM 1407 CA ASN A 101 10.109 -1.881 8.585 1.00 2.34 C ATOM 1408 C ASN A 101 8.884 -0.975 8.488 1.00 25.15 C ATOM 1409 O ASN A 101 8.286 -0.803 7.417 1.00 4.45 O ATOM 1410 CB ASN A 101 11.400 -1.080 8.859 1.00 10.12 C ATOM 1411 CG ASN A 101 12.289 -1.697 9.939 1.00 24.15 C ATOM 1412 OD1 ASN A 101 11.993 -2.736 10.531 1.00 33.43 O ATOM 1413 ND2 ASN A 101 13.373 -1.037 10.293 1.00 30.14 N ATOM 0 H ASN A 101 10.604 -2.211 6.588 1.00 33.12 H new ATOM 0 HA ASN A 101 9.943 -2.538 9.439 1.00 2.34 H new ATOM 0 HB2 ASN A 101 11.970 -1.000 7.934 1.00 10.12 H new ATOM 0 HB3 ASN A 101 11.132 -0.066 9.157 1.00 10.12 H new ATOM 0 HD21 ASN A 101 13.959 -1.387 11.051 1.00 30.14 H new ATOM 0 HD22 ASN A 101 13.627 -0.176 9.809 1.00 30.14 H new ATOM 1419 N VAL A 102 8.504 -0.421 9.641 1.00 73.24 N ATOM 1420 CA VAL A 102 7.201 0.167 9.900 1.00 10.01 C ATOM 1421 C VAL A 102 7.380 1.655 10.213 1.00 32.53 C ATOM 1422 O VAL A 102 8.149 2.032 11.104 1.00 32.41 O ATOM 1423 CB VAL A 102 6.508 -0.654 11.011 1.00 2.11 C ATOM 1424 CG1 VAL A 102 5.106 -0.118 11.322 1.00 3.41 C ATOM 1425 CG2 VAL A 102 6.356 -2.127 10.592 1.00 44.02 C ATOM 0 H VAL A 102 9.125 -0.371 10.448 1.00 73.24 H new ATOM 0 HA VAL A 102 6.543 0.125 9.032 1.00 10.01 H new ATOM 0 HB VAL A 102 7.141 -0.569 11.894 1.00 2.11 H new ATOM 0 HG11 VAL A 102 4.652 -0.722 12.108 1.00 3.41 H new ATOM 0 HG12 VAL A 102 5.178 0.917 11.655 1.00 3.41 H new ATOM 0 HG13 VAL A 102 4.490 -0.168 10.424 1.00 3.41 H new ATOM 0 HG21 VAL A 102 5.866 -2.684 11.391 1.00 44.02 H new ATOM 0 HG22 VAL A 102 5.754 -2.187 9.685 1.00 44.02 H new ATOM 0 HG23 VAL A 102 7.340 -2.555 10.403 1.00 44.02 H new ATOM 1435 N GLU A 103 6.699 2.512 9.449 1.00 5.02 N ATOM 1436 CA GLU A 103 6.690 3.965 9.572 1.00 70.30 C ATOM 1437 C GLU A 103 5.341 4.458 9.023 1.00 73.51 C ATOM 1438 O GLU A 103 4.697 3.761 8.232 1.00 24.24 O ATOM 1439 CB GLU A 103 7.910 4.517 8.804 1.00 52.00 C ATOM 1440 CG GLU A 103 7.978 6.049 8.657 1.00 24.35 C ATOM 1441 CD GLU A 103 9.313 6.630 9.102 1.00 61.53 C ATOM 1442 OE1 GLU A 103 9.553 6.657 10.327 1.00 42.03 O ATOM 1443 OE2 GLU A 103 10.091 7.103 8.231 1.00 4.41 O ATOM 0 H GLU A 103 6.106 2.188 8.685 1.00 5.02 H new ATOM 0 HA GLU A 103 6.779 4.314 10.601 1.00 70.30 H new ATOM 0 HB2 GLU A 103 8.815 4.180 9.309 1.00 52.00 H new ATOM 0 HB3 GLU A 103 7.917 4.075 7.807 1.00 52.00 H new ATOM 0 HG2 GLU A 103 7.800 6.317 7.615 1.00 24.35 H new ATOM 0 HG3 GLU A 103 7.178 6.501 9.243 1.00 24.35 H new ATOM 1448 N PHE A 104 4.899 5.652 9.428 1.00 73.21 N ATOM 1449 CA PHE A 104 3.664 6.265 8.978 1.00 13.13 C ATOM 1450 C PHE A 104 3.997 7.654 8.442 1.00 52.13 C ATOM 1451 O PHE A 104 4.287 8.575 9.200 1.00 62.20 O ATOM 1452 CB PHE A 104 2.631 6.281 10.116 1.00 32.35 C ATOM 1453 CG PHE A 104 1.198 6.078 9.664 1.00 24.21 C ATOM 1454 CD1 PHE A 104 0.747 6.660 8.469 1.00 64.43 C ATOM 1455 CD2 PHE A 104 0.311 5.281 10.416 1.00 43.33 C ATOM 1456 CE1 PHE A 104 -0.549 6.412 8.004 1.00 31.44 C ATOM 1457 CE2 PHE A 104 -0.973 4.997 9.935 1.00 42.21 C ATOM 1458 CZ PHE A 104 -1.389 5.550 8.716 1.00 44.53 C ATOM 0 H PHE A 104 5.411 6.228 10.096 1.00 73.21 H new ATOM 0 HA PHE A 104 3.206 5.691 8.172 1.00 13.13 H new ATOM 0 HB2 PHE A 104 2.887 5.501 10.833 1.00 32.35 H new ATOM 0 HB3 PHE A 104 2.702 7.233 10.641 1.00 32.35 H new ATOM 0 HD1 PHE A 104 1.405 7.304 7.904 1.00 64.43 H new ATOM 0 HD2 PHE A 104 0.624 4.886 11.371 1.00 43.33 H new ATOM 0 HE1 PHE A 104 -0.899 6.885 7.098 1.00 31.44 H new ATOM 0 HE2 PHE A 104 -1.637 4.358 10.498 1.00 42.21 H new ATOM 0 HZ PHE A 104 -2.366 5.308 8.324 1.00 44.53 H new ATOM 1467 N ALA A 105 3.952 7.800 7.121 1.00 31.44 N ATOM 1468 CA ALA A 105 4.287 9.014 6.363 1.00 64.21 C ATOM 1469 C ALA A 105 3.241 10.142 6.503 1.00 23.51 C ATOM 1470 O ALA A 105 3.159 11.041 5.658 1.00 25.32 O ATOM 1471 CB ALA A 105 4.480 8.615 4.893 1.00 41.11 C ATOM 0 H ALA A 105 3.665 7.034 6.511 1.00 31.44 H new ATOM 0 HA ALA A 105 5.205 9.433 6.776 1.00 64.21 H new ATOM 0 HB1 ALA A 105 4.730 9.499 4.306 1.00 41.11 H new ATOM 0 HB2 ALA A 105 5.288 7.888 4.816 1.00 41.11 H new ATOM 0 HB3 ALA A 105 3.559 8.175 4.512 1.00 41.11 H new ATOM 1477 N LYS A 106 2.385 10.065 7.520 1.00 14.13 N ATOM 1478 CA LYS A 106 1.176 10.862 7.662 1.00 44.33 C ATOM 1479 C LYS A 106 1.452 12.246 8.258 1.00 42.04 C ATOM 1480 O LYS A 106 2.525 12.514 8.807 1.00 70.50 O ATOM 1481 CB LYS A 106 0.132 10.039 8.442 1.00 33.13 C ATOM 1482 CG LYS A 106 0.547 9.544 9.837 1.00 62.23 C ATOM 1483 CD LYS A 106 0.166 10.524 10.937 1.00 31.31 C ATOM 1484 CE LYS A 106 1.021 10.228 12.170 1.00 13.33 C ATOM 1485 NZ LYS A 106 0.668 11.093 13.304 1.00 51.43 N ATOM 0 H LYS A 106 2.524 9.419 8.297 1.00 14.13 H new ATOM 0 HA LYS A 106 0.764 11.082 6.677 1.00 44.33 H new ATOM 0 HB2 LYS A 106 -0.768 10.645 8.549 1.00 33.13 H new ATOM 0 HB3 LYS A 106 -0.137 9.172 7.839 1.00 33.13 H new ATOM 0 HG2 LYS A 106 0.076 8.581 10.033 1.00 62.23 H new ATOM 0 HG3 LYS A 106 1.625 9.381 9.856 1.00 62.23 H new ATOM 0 HD2 LYS A 106 0.326 11.549 10.603 1.00 31.31 H new ATOM 0 HD3 LYS A 106 -0.893 10.429 11.179 1.00 31.31 H new ATOM 0 HE2 LYS A 106 0.895 9.184 12.457 1.00 13.33 H new ATOM 0 HE3 LYS A 106 2.074 10.365 11.923 1.00 13.33 H new ATOM 0 HZ1 LYS A 106 1.271 10.860 14.119 1.00 51.43 H new ATOM 0 HZ2 LYS A 106 0.813 12.088 13.040 1.00 51.43 H new ATOM 0 HZ3 LYS A 106 -0.330 10.944 13.557 1.00 51.43 H new