USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 937 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 99 THR OG1 : rot 180:sc= 0.973 USER MOD Set 1.2: A 101 THR OG1 : rot 111:sc= 1.15 USER MOD Set 2.1: A 79 HIS : no HE2:sc= 0.458 K(o=0.99,f=-0.16) USER MOD Set 2.2: A 103 GLN : amide:sc= 0.529 K(o=0.99,f=0) USER MOD Set 3.1: A 73 MET CE :methyl -164:sc= 0 (180deg=0) USER MOD Set 3.2: A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 31 GLN : amide:sc= -0.982 X(o=-1.1,f=-1.2) USER MOD Set 4.2: A 49 MET CE :methyl -170:sc= -0.0938 (180deg=-0.301) USER MOD Single : A 29 THR OG1 : rot -91:sc= 1.1 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0407 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.29 K(o=-0.29,f=-2.8!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 16:sc= 1.23 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 123:sc= 0.854 USER MOD Single : A 70 THR OG1 : rot 78:sc= 0.235 USER MOD Single : A 71 SER OG : rot 21:sc= 1.06 USER MOD Single : A 76 THR OG1 : rot 35:sc= 0.181 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0295 USER MOD Single : A 80 SER OG : rot 163:sc= 0.0559 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -148:sc= 1.5 (180deg=0.725) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 75:sc= 1.13 USER MOD Single : A 108 HIS : no HD1:sc= -0.0157 X(o=-0.016,f=0) USER MOD Single : A 110 MET CE :methyl -172:sc=-0.000164 (180deg=-0.0694) USER MOD Single : A 112 MET CE :methyl -175:sc=-0.000188 (180deg=-0.041) USER MOD Single : A 115 LYS NZ :NH3+ -141:sc= 0.0738 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 ASN : amide:sc= -0.388 X(o=-0.39,f=0) USER MOD Single : A 127 THR OG1 : rot 180:sc= -0.429 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 THR OG1 : rot -24:sc= 0.452 USER MOD Single : A 135 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 ASN : amide:sc= -0.0118 K(o=-0.012,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 369 N VAL A 28 -15.158 9.355 -6.304 1.00 3.32 N ATOM 370 CA VAL A 28 -14.033 8.423 -6.133 1.00 2.84 C ATOM 371 C VAL A 28 -14.009 7.954 -4.675 1.00 2.78 C ATOM 372 O VAL A 28 -14.199 8.771 -3.774 1.00 3.36 O ATOM 373 CB VAL A 28 -12.703 9.109 -6.537 1.00 3.16 C ATOM 374 CG1 VAL A 28 -11.480 8.218 -6.265 1.00 3.11 C ATOM 375 CG2 VAL A 28 -12.687 9.471 -8.037 1.00 4.12 C ATOM 0 HA VAL A 28 -14.156 7.555 -6.781 1.00 2.84 H new ATOM 0 HB VAL A 28 -12.643 10.010 -5.926 1.00 3.16 H new ATOM 0 HG11 VAL A 28 -10.573 8.743 -6.565 1.00 3.11 H new ATOM 0 HG12 VAL A 28 -11.429 7.984 -5.202 1.00 3.11 H new ATOM 0 HG13 VAL A 28 -11.569 7.294 -6.836 1.00 3.11 H new ATOM 0 HG21 VAL A 28 -11.740 9.950 -8.286 1.00 4.12 H new ATOM 0 HG22 VAL A 28 -12.802 8.565 -8.631 1.00 4.12 H new ATOM 0 HG23 VAL A 28 -13.508 10.154 -8.255 1.00 4.12 H new ATOM 385 N THR A 29 -13.821 6.643 -4.460 1.00 2.47 N ATOM 386 CA THR A 29 -13.842 5.997 -3.132 1.00 2.57 C ATOM 387 C THR A 29 -12.442 5.963 -2.503 1.00 2.40 C ATOM 388 O THR A 29 -11.479 6.429 -3.112 1.00 3.21 O ATOM 389 CB THR A 29 -14.495 4.607 -3.211 1.00 3.06 C ATOM 390 OG1 THR A 29 -13.712 3.741 -3.993 1.00 3.84 O ATOM 391 CG2 THR A 29 -15.910 4.660 -3.787 1.00 4.86 C ATOM 0 H THR A 29 -13.646 5.985 -5.219 1.00 2.47 H new ATOM 0 HA THR A 29 -14.460 6.599 -2.466 1.00 2.57 H new ATOM 0 HB THR A 29 -14.560 4.234 -2.189 1.00 3.06 H new ATOM 0 HG1 THR A 29 -14.004 3.789 -4.927 1.00 3.84 H new ATOM 0 HG21 THR A 29 -16.327 3.653 -3.822 1.00 4.86 H new ATOM 0 HG22 THR A 29 -16.536 5.290 -3.156 1.00 4.86 H new ATOM 0 HG23 THR A 29 -15.877 5.074 -4.795 1.00 4.86 H new ATOM 399 N VAL A 30 -12.319 5.423 -1.285 1.00 2.42 N ATOM 400 CA VAL A 30 -11.118 5.540 -0.444 1.00 2.80 C ATOM 401 C VAL A 30 -10.821 4.242 0.317 1.00 2.30 C ATOM 402 O VAL A 30 -11.705 3.613 0.887 1.00 2.80 O ATOM 403 CB VAL A 30 -11.185 6.742 0.532 1.00 4.38 C ATOM 404 CG1 VAL A 30 -11.021 8.082 -0.205 1.00 5.14 C ATOM 405 CG2 VAL A 30 -12.463 6.777 1.392 1.00 5.65 C ATOM 0 H VAL A 30 -13.064 4.882 -0.846 1.00 2.42 H new ATOM 0 HA VAL A 30 -10.292 5.726 -1.131 1.00 2.80 H new ATOM 0 HB VAL A 30 -10.346 6.596 1.212 1.00 4.38 H new ATOM 0 HG11 VAL A 30 -11.074 8.901 0.513 1.00 5.14 H new ATOM 0 HG12 VAL A 30 -10.055 8.104 -0.710 1.00 5.14 H new ATOM 0 HG13 VAL A 30 -11.818 8.193 -0.941 1.00 5.14 H new ATOM 0 HG21 VAL A 30 -12.436 7.646 2.049 1.00 5.65 H new ATOM 0 HG22 VAL A 30 -13.337 6.839 0.743 1.00 5.65 H new ATOM 0 HG23 VAL A 30 -12.522 5.870 1.993 1.00 5.65 H new ATOM 415 N GLN A 31 -9.544 3.855 0.276 1.00 1.98 N ATOM 416 CA GLN A 31 -8.917 2.638 0.812 1.00 1.87 C ATOM 417 C GLN A 31 -8.431 2.731 2.265 1.00 2.21 C ATOM 418 O GLN A 31 -7.753 1.821 2.743 1.00 3.43 O ATOM 419 CB GLN A 31 -7.744 2.281 -0.129 1.00 2.02 C ATOM 420 CG GLN A 31 -6.706 3.393 -0.401 1.00 2.17 C ATOM 421 CD GLN A 31 -6.255 3.458 -1.867 1.00 2.22 C ATOM 422 OE1 GLN A 31 -6.234 4.507 -2.489 1.00 3.18 O ATOM 423 NE2 GLN A 31 -5.925 2.359 -2.528 1.00 1.98 N ATOM 0 H GLN A 31 -8.849 4.446 -0.180 1.00 1.98 H new ATOM 0 HA GLN A 31 -9.683 1.863 0.844 1.00 1.87 H new ATOM 0 HB2 GLN A 31 -7.220 1.423 0.292 1.00 2.02 H new ATOM 0 HB3 GLN A 31 -8.160 1.963 -1.085 1.00 2.02 H new ATOM 0 HG2 GLN A 31 -7.132 4.355 -0.116 1.00 2.17 H new ATOM 0 HG3 GLN A 31 -5.835 3.230 0.233 1.00 2.17 H new ATOM 0 HE21 GLN A 31 -5.927 1.457 -2.051 1.00 1.98 H new ATOM 0 HE22 GLN A 31 -5.668 2.414 -3.514 1.00 1.98 H new ATOM 432 N GLY A 32 -8.720 3.856 2.920 1.00 1.91 N ATOM 433 CA GLY A 32 -8.283 4.248 4.268 1.00 2.13 C ATOM 434 C GLY A 32 -6.787 4.584 4.363 1.00 1.80 C ATOM 435 O GLY A 32 -6.429 5.564 5.015 1.00 2.32 O ATOM 0 H GLY A 32 -9.309 4.572 2.494 1.00 1.91 H new ATOM 0 HA2 GLY A 32 -8.861 5.114 4.589 1.00 2.13 H new ATOM 0 HA3 GLY A 32 -8.509 3.439 4.962 1.00 2.13 H new ATOM 439 N ALA A 33 -5.966 3.739 3.728 1.00 1.43 N ATOM 440 CA ALA A 33 -4.526 3.592 3.898 1.00 1.38 C ATOM 441 C ALA A 33 -4.276 3.047 5.305 1.00 1.24 C ATOM 442 O ALA A 33 -4.205 3.802 6.273 1.00 1.50 O ATOM 443 CB ALA A 33 -3.775 4.885 3.551 1.00 1.83 C ATOM 0 H ALA A 33 -6.326 3.091 3.027 1.00 1.43 H new ATOM 0 HA ALA A 33 -4.115 2.872 3.190 1.00 1.38 H new ATOM 0 HB1 ALA A 33 -2.705 4.733 3.691 1.00 1.83 H new ATOM 0 HB2 ALA A 33 -3.971 5.152 2.512 1.00 1.83 H new ATOM 0 HB3 ALA A 33 -4.115 5.690 4.203 1.00 1.83 H new ATOM 449 N THR A 34 -4.209 1.714 5.413 1.00 1.03 N ATOM 450 CA THR A 34 -4.121 1.006 6.692 1.00 0.92 C ATOM 451 C THR A 34 -2.834 0.222 6.735 1.00 0.81 C ATOM 452 O THR A 34 -2.524 -0.510 5.801 1.00 0.99 O ATOM 453 CB THR A 34 -5.310 0.071 6.895 1.00 1.06 C ATOM 454 OG1 THR A 34 -6.496 0.815 6.767 1.00 1.75 O ATOM 455 CG2 THR A 34 -5.326 -0.575 8.280 1.00 1.46 C ATOM 0 H THR A 34 -4.215 1.092 4.605 1.00 1.03 H new ATOM 0 HA THR A 34 -4.137 1.740 7.497 1.00 0.92 H new ATOM 0 HB THR A 34 -5.228 -0.718 6.147 1.00 1.06 H new ATOM 0 HG1 THR A 34 -7.268 0.225 6.894 1.00 1.75 H new ATOM 0 HG21 THR A 34 -6.194 -1.229 8.366 1.00 1.46 H new ATOM 0 HG22 THR A 34 -4.416 -1.159 8.420 1.00 1.46 H new ATOM 0 HG23 THR A 34 -5.380 0.202 9.043 1.00 1.46 H new ATOM 463 N VAL A 35 -2.109 0.353 7.836 1.00 0.68 N ATOM 464 CA VAL A 35 -0.983 -0.541 8.181 1.00 0.61 C ATOM 465 C VAL A 35 -1.505 -1.624 9.118 1.00 0.64 C ATOM 466 O VAL A 35 -2.420 -1.376 9.905 1.00 0.70 O ATOM 467 CB VAL A 35 0.198 0.192 8.859 1.00 0.65 C ATOM 468 CG1 VAL A 35 1.475 -0.661 8.963 1.00 0.87 C ATOM 469 CG2 VAL A 35 0.577 1.462 8.075 1.00 0.81 C ATOM 0 H VAL A 35 -2.276 1.083 8.528 1.00 0.68 H new ATOM 0 HA VAL A 35 -0.597 -0.959 7.251 1.00 0.61 H new ATOM 0 HB VAL A 35 -0.158 0.424 9.863 1.00 0.65 H new ATOM 0 HG11 VAL A 35 2.261 -0.082 9.449 1.00 0.87 H new ATOM 0 HG12 VAL A 35 1.268 -1.556 9.550 1.00 0.87 H new ATOM 0 HG13 VAL A 35 1.802 -0.950 7.964 1.00 0.87 H new ATOM 0 HG21 VAL A 35 1.410 1.961 8.571 1.00 0.81 H new ATOM 0 HG22 VAL A 35 0.869 1.190 7.061 1.00 0.81 H new ATOM 0 HG23 VAL A 35 -0.279 2.136 8.038 1.00 0.81 H new ATOM 479 N ALA A 36 -0.894 -2.803 9.066 1.00 0.68 N ATOM 480 CA ALA A 36 -1.082 -3.849 10.058 1.00 0.81 C ATOM 481 C ALA A 36 -0.446 -3.441 11.398 1.00 0.90 C ATOM 482 O ALA A 36 0.769 -3.505 11.583 1.00 1.48 O ATOM 483 CB ALA A 36 -0.495 -5.150 9.507 1.00 0.95 C ATOM 0 H ALA A 36 -0.245 -3.060 8.322 1.00 0.68 H new ATOM 0 HA ALA A 36 -2.143 -4.003 10.254 1.00 0.81 H new ATOM 0 HB1 ALA A 36 -0.627 -5.947 10.239 1.00 0.95 H new ATOM 0 HB2 ALA A 36 -1.007 -5.417 8.583 1.00 0.95 H new ATOM 0 HB3 ALA A 36 0.568 -5.014 9.307 1.00 0.95 H new ATOM 489 N ALA A 37 -1.295 -3.030 12.336 1.00 0.77 N ATOM 490 CA ALA A 37 -0.935 -2.933 13.750 1.00 0.84 C ATOM 491 C ALA A 37 -0.432 -4.287 14.282 1.00 1.03 C ATOM 492 O ALA A 37 -0.880 -5.358 13.855 1.00 1.20 O ATOM 493 CB ALA A 37 -2.130 -2.406 14.554 1.00 1.04 C ATOM 0 H ALA A 37 -2.256 -2.753 12.137 1.00 0.77 H new ATOM 0 HA ALA A 37 -0.114 -2.225 13.864 1.00 0.84 H new ATOM 0 HB1 ALA A 37 -1.857 -2.335 15.607 1.00 1.04 H new ATOM 0 HB2 ALA A 37 -2.410 -1.420 14.185 1.00 1.04 H new ATOM 0 HB3 ALA A 37 -2.973 -3.088 14.442 1.00 1.04 H new ATOM 499 N VAL A 38 0.503 -4.210 15.227 1.00 1.15 N ATOM 500 CA VAL A 38 1.430 -5.274 15.648 1.00 1.23 C ATOM 501 C VAL A 38 1.913 -5.021 17.092 1.00 1.43 C ATOM 502 O VAL A 38 1.790 -3.886 17.558 1.00 1.68 O ATOM 503 CB VAL A 38 2.672 -5.328 14.711 1.00 1.16 C ATOM 504 CG1 VAL A 38 2.394 -6.117 13.423 1.00 2.49 C ATOM 505 CG2 VAL A 38 3.230 -3.931 14.394 1.00 2.04 C ATOM 0 H VAL A 38 0.648 -3.350 15.757 1.00 1.15 H new ATOM 0 HA VAL A 38 0.894 -6.222 15.595 1.00 1.23 H new ATOM 0 HB VAL A 38 3.442 -5.865 15.265 1.00 1.16 H new ATOM 0 HG11 VAL A 38 3.290 -6.127 12.802 1.00 2.49 H new ATOM 0 HG12 VAL A 38 2.117 -7.140 13.676 1.00 2.49 H new ATOM 0 HG13 VAL A 38 1.578 -5.645 12.876 1.00 2.49 H new ATOM 0 HG21 VAL A 38 4.095 -4.025 13.737 1.00 2.04 H new ATOM 0 HG22 VAL A 38 2.462 -3.336 13.900 1.00 2.04 H new ATOM 0 HG23 VAL A 38 3.529 -3.440 15.320 1.00 2.04 H new ATOM 515 N PRO A 39 2.493 -6.018 17.796 1.00 1.47 N ATOM 516 CA PRO A 39 3.082 -5.812 19.122 1.00 1.66 C ATOM 517 C PRO A 39 4.364 -4.951 19.049 1.00 1.55 C ATOM 518 O PRO A 39 4.940 -4.813 17.968 1.00 1.48 O ATOM 519 CB PRO A 39 3.354 -7.220 19.664 1.00 1.87 C ATOM 520 CG PRO A 39 3.594 -8.046 18.405 1.00 1.79 C ATOM 521 CD PRO A 39 2.650 -7.411 17.388 1.00 1.53 C ATOM 0 HA PRO A 39 2.415 -5.258 19.782 1.00 1.66 H new ATOM 0 HB2 PRO A 39 4.220 -7.235 20.325 1.00 1.87 H new ATOM 0 HB3 PRO A 39 2.509 -7.599 20.238 1.00 1.87 H new ATOM 0 HG2 PRO A 39 4.633 -7.992 18.079 1.00 1.79 H new ATOM 0 HG3 PRO A 39 3.365 -9.100 18.565 1.00 1.79 H new ATOM 0 HD2 PRO A 39 3.060 -7.478 16.380 1.00 1.53 H new ATOM 0 HD3 PRO A 39 1.688 -7.924 17.375 1.00 1.53 H new ATOM 529 N PRO A 40 4.830 -4.367 20.175 1.00 1.77 N ATOM 530 CA PRO A 40 6.005 -3.497 20.216 1.00 1.83 C ATOM 531 C PRO A 40 7.324 -4.266 20.064 1.00 1.78 C ATOM 532 O PRO A 40 7.354 -5.483 20.193 1.00 2.63 O ATOM 533 CB PRO A 40 5.922 -2.768 21.561 1.00 2.15 C ATOM 534 CG PRO A 40 5.206 -3.780 22.453 1.00 2.26 C ATOM 535 CD PRO A 40 4.214 -4.435 21.494 1.00 2.15 C ATOM 0 HA PRO A 40 6.003 -2.803 19.376 1.00 1.83 H new ATOM 0 HB2 PRO A 40 6.910 -2.517 21.947 1.00 2.15 H new ATOM 0 HB3 PRO A 40 5.365 -1.834 21.481 1.00 2.15 H new ATOM 0 HG2 PRO A 40 5.899 -4.507 22.877 1.00 2.26 H new ATOM 0 HG3 PRO A 40 4.701 -3.296 23.289 1.00 2.26 H new ATOM 0 HD2 PRO A 40 4.018 -5.468 21.781 1.00 2.15 H new ATOM 0 HD3 PRO A 40 3.257 -3.913 21.506 1.00 2.15 H new ATOM 543 N SER A 41 8.421 -3.542 19.792 1.00 2.07 N ATOM 544 CA SER A 41 9.810 -4.054 19.631 1.00 2.48 C ATOM 545 C SER A 41 10.125 -4.591 18.215 1.00 2.42 C ATOM 546 O SER A 41 11.273 -4.905 17.901 1.00 2.78 O ATOM 547 CB SER A 41 10.165 -5.100 20.713 1.00 2.79 C ATOM 548 OG SER A 41 11.510 -4.981 21.145 1.00 3.57 O ATOM 0 H SER A 41 8.371 -2.531 19.670 1.00 2.07 H new ATOM 0 HA SER A 41 10.450 -3.183 19.769 1.00 2.48 H new ATOM 0 HB2 SER A 41 9.498 -4.979 21.567 1.00 2.79 H new ATOM 0 HB3 SER A 41 9.998 -6.102 20.317 1.00 2.79 H new ATOM 0 HG SER A 41 11.695 -5.658 21.829 1.00 3.57 H new ATOM 554 N ILE A 42 9.117 -4.688 17.340 1.00 2.06 N ATOM 555 CA ILE A 42 9.186 -5.177 15.958 1.00 1.94 C ATOM 556 C ILE A 42 9.942 -4.238 14.985 1.00 2.01 C ATOM 557 O ILE A 42 10.395 -3.161 15.379 1.00 2.84 O ATOM 558 CB ILE A 42 7.755 -5.532 15.522 1.00 2.14 C ATOM 559 CG1 ILE A 42 6.778 -4.349 15.527 1.00 4.34 C ATOM 560 CG2 ILE A 42 7.198 -6.685 16.389 1.00 2.26 C ATOM 561 CD1 ILE A 42 6.961 -3.313 14.410 1.00 6.68 C ATOM 0 H ILE A 42 8.170 -4.409 17.595 1.00 2.06 H new ATOM 0 HA ILE A 42 9.805 -6.073 15.920 1.00 1.94 H new ATOM 0 HB ILE A 42 7.836 -5.847 14.482 1.00 2.14 H new ATOM 0 HG12 ILE A 42 5.763 -4.743 15.466 1.00 4.34 H new ATOM 0 HG13 ILE A 42 6.864 -3.838 16.486 1.00 4.34 H new ATOM 0 HG21 ILE A 42 6.184 -6.925 16.068 1.00 2.26 H new ATOM 0 HG22 ILE A 42 7.832 -7.564 16.276 1.00 2.26 H new ATOM 0 HG23 ILE A 42 7.185 -6.380 17.435 1.00 2.26 H new ATOM 0 HD11 ILE A 42 6.214 -2.526 14.518 1.00 6.68 H new ATOM 0 HD12 ILE A 42 7.958 -2.878 14.477 1.00 6.68 H new ATOM 0 HD13 ILE A 42 6.840 -3.797 13.441 1.00 6.68 H new ATOM 573 N ARG A 43 10.059 -4.636 13.708 1.00 1.67 N ATOM 574 CA ARG A 43 10.631 -3.804 12.632 1.00 1.78 C ATOM 575 C ARG A 43 10.081 -4.063 11.214 1.00 1.60 C ATOM 576 O ARG A 43 10.201 -3.164 10.399 1.00 1.67 O ATOM 577 CB ARG A 43 12.176 -3.910 12.632 1.00 2.16 C ATOM 578 CG ARG A 43 12.883 -2.784 13.421 1.00 2.68 C ATOM 579 CD ARG A 43 13.553 -3.223 14.733 1.00 2.56 C ATOM 580 NE ARG A 43 15.033 -3.257 14.636 1.00 3.55 N ATOM 581 CZ ARG A 43 15.806 -4.189 14.083 1.00 3.82 C ATOM 582 NH1 ARG A 43 15.315 -5.340 13.651 1.00 4.05 N ATOM 583 NH2 ARG A 43 17.104 -3.970 13.977 1.00 5.11 N ATOM 0 H ARG A 43 9.756 -5.556 13.388 1.00 1.67 H new ATOM 0 HA ARG A 43 10.310 -2.791 12.872 1.00 1.78 H new ATOM 0 HB2 ARG A 43 12.464 -4.872 13.055 1.00 2.16 H new ATOM 0 HB3 ARG A 43 12.531 -3.896 11.602 1.00 2.16 H new ATOM 0 HG2 ARG A 43 13.640 -2.333 12.779 1.00 2.68 H new ATOM 0 HG3 ARG A 43 12.152 -2.007 13.647 1.00 2.68 H new ATOM 0 HD2 ARG A 43 13.261 -2.541 15.531 1.00 2.56 H new ATOM 0 HD3 ARG A 43 13.188 -4.212 15.009 1.00 2.56 H new ATOM 0 HE ARG A 43 15.522 -2.462 15.047 1.00 3.55 H new ATOM 0 HH11 ARG A 43 14.317 -5.533 13.737 1.00 4.05 H new ATOM 0 HH12 ARG A 43 15.934 -6.033 13.232 1.00 4.05 H new ATOM 0 HH21 ARG A 43 17.503 -3.095 14.317 1.00 5.11 H new ATOM 0 HH22 ARG A 43 17.708 -4.676 13.555 1.00 5.11 H new ATOM 597 N ASP A 44 9.452 -5.197 10.911 1.00 1.63 N ATOM 598 CA ASP A 44 8.779 -5.432 9.619 1.00 1.51 C ATOM 599 C ASP A 44 7.249 -5.449 9.812 1.00 1.26 C ATOM 600 O ASP A 44 6.752 -6.141 10.706 1.00 1.35 O ATOM 601 CB ASP A 44 9.272 -6.750 8.986 1.00 1.84 C ATOM 602 CG ASP A 44 10.498 -6.567 8.071 1.00 2.67 C ATOM 603 OD1 ASP A 44 11.398 -5.781 8.438 1.00 2.86 O ATOM 604 OD2 ASP A 44 10.527 -7.242 7.006 1.00 3.87 O ATOM 0 H ASP A 44 9.390 -5.987 11.553 1.00 1.63 H new ATOM 0 HA ASP A 44 9.029 -4.618 8.938 1.00 1.51 H new ATOM 0 HB2 ASP A 44 9.522 -7.455 9.779 1.00 1.84 H new ATOM 0 HB3 ASP A 44 8.460 -7.194 8.409 1.00 1.84 H new ATOM 609 N THR A 45 6.510 -4.700 8.977 1.00 1.06 N ATOM 610 CA THR A 45 5.024 -4.661 8.970 1.00 0.91 C ATOM 611 C THR A 45 4.470 -4.527 7.555 1.00 0.82 C ATOM 612 O THR A 45 5.083 -3.849 6.738 1.00 1.13 O ATOM 613 CB THR A 45 4.474 -3.488 9.795 1.00 1.03 C ATOM 614 OG1 THR A 45 4.939 -2.292 9.225 1.00 2.54 O ATOM 615 CG2 THR A 45 4.921 -3.500 11.249 1.00 1.52 C ATOM 0 H THR A 45 6.928 -4.092 8.273 1.00 1.06 H new ATOM 0 HA THR A 45 4.705 -5.605 9.411 1.00 0.91 H new ATOM 0 HB THR A 45 3.388 -3.577 9.781 1.00 1.03 H new ATOM 0 HG1 THR A 45 4.596 -1.530 9.738 1.00 2.54 H new ATOM 0 HG21 THR A 45 4.493 -2.642 11.768 1.00 1.52 H new ATOM 0 HG22 THR A 45 4.582 -4.419 11.726 1.00 1.52 H new ATOM 0 HG23 THR A 45 6.009 -3.447 11.296 1.00 1.52 H new ATOM 623 N ALA A 46 3.288 -5.086 7.280 1.00 0.91 N ATOM 624 CA ALA A 46 2.598 -4.953 5.993 1.00 0.91 C ATOM 625 C ALA A 46 1.553 -3.829 6.017 1.00 0.74 C ATOM 626 O ALA A 46 1.021 -3.490 7.075 1.00 0.75 O ATOM 627 CB ALA A 46 1.928 -6.292 5.657 1.00 1.12 C ATOM 0 H ALA A 46 2.775 -5.653 7.956 1.00 0.91 H new ATOM 0 HA ALA A 46 3.330 -4.691 5.229 1.00 0.91 H new ATOM 0 HB1 ALA A 46 1.410 -6.210 4.702 1.00 1.12 H new ATOM 0 HB2 ALA A 46 2.686 -7.072 5.593 1.00 1.12 H new ATOM 0 HB3 ALA A 46 1.211 -6.546 6.438 1.00 1.12 H new ATOM 633 N ALA A 47 1.197 -3.322 4.834 1.00 0.80 N ATOM 634 CA ALA A 47 0.052 -2.432 4.618 1.00 0.74 C ATOM 635 C ALA A 47 -0.887 -2.962 3.514 1.00 0.81 C ATOM 636 O ALA A 47 -0.482 -3.737 2.644 1.00 1.03 O ATOM 637 CB ALA A 47 0.541 -1.004 4.349 1.00 0.80 C ATOM 0 H ALA A 47 1.711 -3.524 3.976 1.00 0.80 H new ATOM 0 HA ALA A 47 -0.549 -2.409 5.527 1.00 0.74 H new ATOM 0 HB1 ALA A 47 -0.316 -0.350 4.190 1.00 0.80 H new ATOM 0 HB2 ALA A 47 1.115 -0.649 5.205 1.00 0.80 H new ATOM 0 HB3 ALA A 47 1.173 -0.997 3.461 1.00 0.80 H new ATOM 643 N TYR A 48 -2.156 -2.554 3.603 1.00 0.80 N ATOM 644 CA TYR A 48 -3.334 -3.234 3.027 1.00 0.95 C ATOM 645 C TYR A 48 -4.419 -2.189 2.658 1.00 1.10 C ATOM 646 O TYR A 48 -4.753 -1.327 3.477 1.00 1.31 O ATOM 647 CB TYR A 48 -3.829 -4.231 4.099 1.00 1.29 C ATOM 648 CG TYR A 48 -4.602 -5.460 3.643 1.00 1.85 C ATOM 649 CD1 TYR A 48 -5.898 -5.335 3.104 1.00 3.56 C ATOM 650 CD2 TYR A 48 -4.069 -6.748 3.884 1.00 2.66 C ATOM 651 CE1 TYR A 48 -6.652 -6.486 2.801 1.00 5.04 C ATOM 652 CE2 TYR A 48 -4.827 -7.901 3.604 1.00 3.94 C ATOM 653 CZ TYR A 48 -6.126 -7.769 3.063 1.00 4.97 C ATOM 654 OH TYR A 48 -6.874 -8.872 2.799 1.00 6.58 O ATOM 0 H TYR A 48 -2.409 -1.701 4.101 1.00 0.80 H new ATOM 0 HA TYR A 48 -3.092 -3.766 2.107 1.00 0.95 H new ATOM 0 HB2 TYR A 48 -2.959 -4.575 4.659 1.00 1.29 H new ATOM 0 HB3 TYR A 48 -4.461 -3.681 4.797 1.00 1.29 H new ATOM 0 HD1 TYR A 48 -6.314 -4.355 2.923 1.00 3.56 H new ATOM 0 HD2 TYR A 48 -3.072 -6.848 4.286 1.00 2.66 H new ATOM 0 HE1 TYR A 48 -7.636 -6.386 2.367 1.00 5.04 H new ATOM 0 HE2 TYR A 48 -4.418 -8.881 3.802 1.00 3.94 H new ATOM 0 HH TYR A 48 -6.366 -9.676 3.035 1.00 6.58 H new ATOM 664 N MET A 49 -4.930 -2.208 1.416 1.00 1.12 N ATOM 665 CA MET A 49 -5.621 -1.050 0.801 1.00 1.28 C ATOM 666 C MET A 49 -6.624 -1.468 -0.285 1.00 1.38 C ATOM 667 O MET A 49 -6.254 -2.164 -1.230 1.00 1.43 O ATOM 668 CB MET A 49 -4.569 -0.099 0.189 1.00 1.40 C ATOM 669 CG MET A 49 -3.986 0.895 1.198 1.00 2.25 C ATOM 670 SD MET A 49 -2.477 1.771 0.695 1.00 3.38 S ATOM 671 CE MET A 49 -2.991 2.606 -0.827 1.00 4.49 C ATOM 0 H MET A 49 -4.879 -3.024 0.806 1.00 1.12 H new ATOM 0 HA MET A 49 -6.186 -0.550 1.587 1.00 1.28 H new ATOM 0 HB2 MET A 49 -3.759 -0.691 -0.236 1.00 1.40 H new ATOM 0 HB3 MET A 49 -5.024 0.454 -0.633 1.00 1.40 H new ATOM 0 HG2 MET A 49 -4.751 1.637 1.426 1.00 2.25 H new ATOM 0 HG3 MET A 49 -3.776 0.358 2.123 1.00 2.25 H new ATOM 0 HE1 MET A 49 -2.117 3.027 -1.324 1.00 4.49 H new ATOM 0 HE2 MET A 49 -3.475 1.889 -1.490 1.00 4.49 H new ATOM 0 HE3 MET A 49 -3.691 3.406 -0.585 1.00 4.49 H new ATOM 681 N THR A 50 -7.870 -0.971 -0.207 1.00 1.69 N ATOM 682 CA THR A 50 -9.005 -1.467 -1.014 1.00 1.97 C ATOM 683 C THR A 50 -9.785 -0.318 -1.627 1.00 2.20 C ATOM 684 O THR A 50 -10.286 0.524 -0.893 1.00 2.57 O ATOM 685 CB THR A 50 -9.952 -2.249 -0.104 1.00 2.31 C ATOM 686 OG1 THR A 50 -9.211 -3.236 0.570 1.00 2.71 O ATOM 687 CG2 THR A 50 -11.051 -2.958 -0.898 1.00 2.43 C ATOM 0 H THR A 50 -8.123 -0.208 0.421 1.00 1.69 H new ATOM 0 HA THR A 50 -8.609 -2.095 -1.812 1.00 1.97 H new ATOM 0 HB THR A 50 -10.416 -1.541 0.583 1.00 2.31 H new ATOM 0 HG1 THR A 50 -9.805 -3.746 1.160 1.00 2.71 H new ATOM 0 HG21 THR A 50 -11.702 -3.502 -0.213 1.00 2.43 H new ATOM 0 HG22 THR A 50 -11.637 -2.221 -1.447 1.00 2.43 H new ATOM 0 HG23 THR A 50 -10.598 -3.658 -1.601 1.00 2.43 H new ATOM 695 N LEU A 51 -9.908 -0.255 -2.948 1.00 2.15 N ATOM 696 CA LEU A 51 -10.489 0.888 -3.662 1.00 2.16 C ATOM 697 C LEU A 51 -11.451 0.383 -4.750 1.00 1.76 C ATOM 698 O LEU A 51 -11.395 -0.783 -5.141 1.00 2.13 O ATOM 699 CB LEU A 51 -9.292 1.680 -4.232 1.00 2.45 C ATOM 700 CG LEU A 51 -9.376 3.207 -4.395 1.00 3.08 C ATOM 701 CD1 LEU A 51 -10.387 3.728 -5.428 1.00 3.94 C ATOM 702 CD2 LEU A 51 -9.622 3.904 -3.065 1.00 4.34 C ATOM 0 H LEU A 51 -9.604 -1.006 -3.567 1.00 2.15 H new ATOM 0 HA LEU A 51 -11.084 1.536 -3.018 1.00 2.16 H new ATOM 0 HB2 LEU A 51 -8.434 1.471 -3.593 1.00 2.45 H new ATOM 0 HB3 LEU A 51 -9.068 1.263 -5.214 1.00 2.45 H new ATOM 0 HG LEU A 51 -8.392 3.459 -4.791 1.00 3.08 H new ATOM 0 HD11 LEU A 51 -10.354 4.817 -5.452 1.00 3.94 H new ATOM 0 HD12 LEU A 51 -10.135 3.336 -6.413 1.00 3.94 H new ATOM 0 HD13 LEU A 51 -11.390 3.401 -5.153 1.00 3.94 H new ATOM 0 HD21 LEU A 51 -9.675 4.981 -3.223 1.00 4.34 H new ATOM 0 HD22 LEU A 51 -10.562 3.553 -2.639 1.00 4.34 H new ATOM 0 HD23 LEU A 51 -8.806 3.678 -2.379 1.00 4.34 H new ATOM 714 N THR A 52 -12.311 1.254 -5.289 1.00 1.53 N ATOM 715 CA THR A 52 -13.207 0.909 -6.399 1.00 1.57 C ATOM 716 C THR A 52 -13.532 2.145 -7.231 1.00 1.50 C ATOM 717 O THR A 52 -13.782 3.208 -6.663 1.00 1.73 O ATOM 718 CB THR A 52 -14.442 0.180 -5.835 1.00 2.25 C ATOM 719 OG1 THR A 52 -14.767 -0.871 -6.713 1.00 2.75 O ATOM 720 CG2 THR A 52 -15.710 1.025 -5.652 1.00 2.86 C ATOM 0 H THR A 52 -12.406 2.218 -4.968 1.00 1.53 H new ATOM 0 HA THR A 52 -12.722 0.221 -7.092 1.00 1.57 H new ATOM 0 HB THR A 52 -14.148 -0.138 -4.835 1.00 2.25 H new ATOM 0 HG1 THR A 52 -15.551 -1.351 -6.373 1.00 2.75 H new ATOM 0 HG21 THR A 52 -16.508 0.401 -5.250 1.00 2.86 H new ATOM 0 HG22 THR A 52 -15.506 1.843 -4.961 1.00 2.86 H new ATOM 0 HG23 THR A 52 -16.018 1.432 -6.615 1.00 2.86 H new ATOM 728 N ASN A 53 -13.547 2.022 -8.560 1.00 1.52 N ATOM 729 CA ASN A 53 -14.088 3.067 -9.450 1.00 1.62 C ATOM 730 C ASN A 53 -15.505 2.725 -9.974 1.00 1.88 C ATOM 731 O ASN A 53 -15.762 1.625 -10.447 1.00 2.18 O ATOM 732 CB ASN A 53 -13.101 3.409 -10.584 1.00 1.83 C ATOM 733 CG ASN A 53 -12.859 2.299 -11.595 1.00 1.83 C ATOM 734 OD1 ASN A 53 -12.880 1.117 -11.291 1.00 2.87 O ATOM 735 ND2 ASN A 53 -12.574 2.681 -12.821 1.00 2.34 N ATOM 0 H ASN A 53 -13.189 1.204 -9.053 1.00 1.52 H new ATOM 0 HA ASN A 53 -14.205 3.969 -8.850 1.00 1.62 H new ATOM 0 HB2 ASN A 53 -13.473 4.286 -11.114 1.00 1.83 H new ATOM 0 HB3 ASN A 53 -12.145 3.687 -10.139 1.00 1.83 H new ATOM 0 HD21 ASN A 53 -12.366 1.985 -13.537 1.00 2.34 H new ATOM 0 HD22 ASN A 53 -12.561 3.673 -13.056 1.00 2.34 H new ATOM 742 N LYS A 54 -16.430 3.693 -9.922 1.00 1.96 N ATOM 743 CA LYS A 54 -17.789 3.594 -10.501 1.00 2.30 C ATOM 744 C LYS A 54 -17.883 4.351 -11.853 1.00 2.32 C ATOM 745 O LYS A 54 -18.657 5.289 -12.018 1.00 2.84 O ATOM 746 CB LYS A 54 -18.811 4.079 -9.446 1.00 2.97 C ATOM 747 CG LYS A 54 -20.246 3.635 -9.794 1.00 3.75 C ATOM 748 CD LYS A 54 -21.292 4.371 -8.946 1.00 4.78 C ATOM 749 CE LYS A 54 -22.697 3.853 -9.279 1.00 5.80 C ATOM 750 NZ LYS A 54 -23.741 4.661 -8.614 1.00 6.75 N ATOM 0 H LYS A 54 -16.256 4.589 -9.467 1.00 1.96 H new ATOM 0 HA LYS A 54 -18.024 2.557 -10.742 1.00 2.30 H new ATOM 0 HB2 LYS A 54 -18.536 3.687 -8.467 1.00 2.97 H new ATOM 0 HB3 LYS A 54 -18.774 5.166 -9.376 1.00 2.97 H new ATOM 0 HG2 LYS A 54 -20.438 3.822 -10.851 1.00 3.75 H new ATOM 0 HG3 LYS A 54 -20.342 2.561 -9.638 1.00 3.75 H new ATOM 0 HD2 LYS A 54 -21.083 4.223 -7.887 1.00 4.78 H new ATOM 0 HD3 LYS A 54 -21.236 5.443 -9.135 1.00 4.78 H new ATOM 0 HE2 LYS A 54 -22.849 3.876 -10.358 1.00 5.80 H new ATOM 0 HE3 LYS A 54 -22.786 2.812 -8.967 1.00 5.80 H new ATOM 0 HZ1 LYS A 54 -24.679 4.285 -8.859 1.00 6.75 H new ATOM 0 HZ2 LYS A 54 -23.609 4.618 -7.583 1.00 6.75 H new ATOM 0 HZ3 LYS A 54 -23.670 5.649 -8.931 1.00 6.75 H new ATOM 764 N SER A 55 -17.009 4.007 -12.788 1.00 2.02 N ATOM 765 CA SER A 55 -16.680 4.706 -14.042 1.00 2.31 C ATOM 766 C SER A 55 -15.552 3.903 -14.705 1.00 2.11 C ATOM 767 O SER A 55 -15.125 2.896 -14.146 1.00 2.28 O ATOM 768 CB SER A 55 -16.223 6.157 -13.793 1.00 2.93 C ATOM 769 OG SER A 55 -17.276 7.030 -13.443 1.00 3.18 O ATOM 0 H SER A 55 -16.457 3.155 -12.688 1.00 2.02 H new ATOM 0 HA SER A 55 -17.563 4.768 -14.677 1.00 2.31 H new ATOM 0 HB2 SER A 55 -15.478 6.163 -12.997 1.00 2.93 H new ATOM 0 HB3 SER A 55 -15.733 6.534 -14.691 1.00 2.93 H new ATOM 0 HG SER A 55 -18.060 6.506 -13.176 1.00 3.18 H new ATOM 775 N ASP A 56 -15.017 4.326 -15.846 1.00 2.43 N ATOM 776 CA ASP A 56 -13.936 3.635 -16.574 1.00 2.55 C ATOM 777 C ASP A 56 -12.643 4.471 -16.647 1.00 2.81 C ATOM 778 O ASP A 56 -11.757 4.210 -17.460 1.00 3.85 O ATOM 779 CB ASP A 56 -14.454 3.220 -17.971 1.00 3.15 C ATOM 780 CG ASP A 56 -14.958 4.386 -18.838 1.00 3.39 C ATOM 781 OD1 ASP A 56 -15.146 5.501 -18.352 1.00 3.83 O ATOM 782 OD2 ASP A 56 -15.228 4.080 -20.055 1.00 4.33 O ATOM 0 H ASP A 56 -15.325 5.181 -16.310 1.00 2.43 H new ATOM 0 HA ASP A 56 -13.659 2.737 -16.021 1.00 2.55 H new ATOM 0 HB2 ASP A 56 -13.653 2.708 -18.504 1.00 3.15 H new ATOM 0 HB3 ASP A 56 -15.264 2.501 -17.845 1.00 3.15 H new ATOM 787 N GLN A 57 -12.537 5.485 -15.780 1.00 2.28 N ATOM 788 CA GLN A 57 -11.519 6.533 -15.877 1.00 2.62 C ATOM 789 C GLN A 57 -10.302 6.232 -14.977 1.00 2.25 C ATOM 790 O GLN A 57 -10.507 5.917 -13.799 1.00 2.17 O ATOM 791 CB GLN A 57 -12.130 7.924 -15.615 1.00 3.34 C ATOM 792 CG GLN A 57 -12.868 8.123 -14.275 1.00 2.74 C ATOM 793 CD GLN A 57 -13.520 9.512 -14.131 1.00 3.20 C ATOM 794 OE1 GLN A 57 -13.325 10.420 -14.927 1.00 4.15 O ATOM 795 NE2 GLN A 57 -14.297 9.736 -13.086 1.00 3.19 N ATOM 0 H GLN A 57 -13.163 5.600 -14.983 1.00 2.28 H new ATOM 0 HA GLN A 57 -11.141 6.544 -16.899 1.00 2.62 H new ATOM 0 HB2 GLN A 57 -11.330 8.662 -15.674 1.00 3.34 H new ATOM 0 HB3 GLN A 57 -12.828 8.145 -16.422 1.00 3.34 H new ATOM 0 HG2 GLN A 57 -13.638 7.357 -14.176 1.00 2.74 H new ATOM 0 HG3 GLN A 57 -12.164 7.975 -13.456 1.00 2.74 H new ATOM 0 HE21 GLN A 57 -14.471 8.991 -12.411 1.00 3.19 H new ATOM 0 HE22 GLN A 57 -14.722 10.654 -12.954 1.00 3.19 H new ATOM 804 N PRO A 58 -9.056 6.359 -15.493 1.00 2.27 N ATOM 805 CA PRO A 58 -7.821 5.997 -14.801 1.00 2.25 C ATOM 806 C PRO A 58 -7.378 7.086 -13.813 1.00 2.01 C ATOM 807 O PRO A 58 -6.398 7.801 -14.022 1.00 2.63 O ATOM 808 CB PRO A 58 -6.800 5.722 -15.913 1.00 2.74 C ATOM 809 CG PRO A 58 -7.215 6.720 -16.989 1.00 2.87 C ATOM 810 CD PRO A 58 -8.740 6.722 -16.870 1.00 2.61 C ATOM 0 HA PRO A 58 -7.944 5.115 -14.172 1.00 2.25 H new ATOM 0 HB2 PRO A 58 -5.777 5.889 -15.576 1.00 2.74 H new ATOM 0 HB3 PRO A 58 -6.854 4.693 -16.270 1.00 2.74 H new ATOM 0 HG2 PRO A 58 -6.793 7.709 -16.810 1.00 2.87 H new ATOM 0 HG3 PRO A 58 -6.886 6.408 -17.980 1.00 2.87 H new ATOM 0 HD2 PRO A 58 -9.145 7.704 -17.114 1.00 2.61 H new ATOM 0 HD3 PRO A 58 -9.183 6.012 -17.568 1.00 2.61 H new ATOM 818 N ILE A 59 -8.113 7.204 -12.707 1.00 1.99 N ATOM 819 CA ILE A 59 -7.816 8.140 -11.619 1.00 2.44 C ATOM 820 C ILE A 59 -7.231 7.378 -10.425 1.00 3.16 C ATOM 821 O ILE A 59 -7.987 6.746 -9.692 1.00 4.35 O ATOM 822 CB ILE A 59 -9.101 8.901 -11.217 1.00 3.46 C ATOM 823 CG1 ILE A 59 -9.647 9.704 -12.426 1.00 4.05 C ATOM 824 CG2 ILE A 59 -8.827 9.841 -10.020 1.00 4.08 C ATOM 825 CD1 ILE A 59 -10.879 10.568 -12.127 1.00 4.78 C ATOM 0 H ILE A 59 -8.947 6.642 -12.538 1.00 1.99 H new ATOM 0 HA ILE A 59 -7.078 8.869 -11.955 1.00 2.44 H new ATOM 0 HB ILE A 59 -9.854 8.174 -10.912 1.00 3.46 H new ATOM 0 HG12 ILE A 59 -8.853 10.348 -12.804 1.00 4.05 H new ATOM 0 HG13 ILE A 59 -9.897 9.005 -13.224 1.00 4.05 H new ATOM 0 HG21 ILE A 59 -9.744 10.367 -9.753 1.00 4.08 H new ATOM 0 HG22 ILE A 59 -8.484 9.254 -9.168 1.00 4.08 H new ATOM 0 HG23 ILE A 59 -8.060 10.565 -10.294 1.00 4.08 H new ATOM 0 HD11 ILE A 59 -11.186 11.090 -13.033 1.00 4.78 H new ATOM 0 HD12 ILE A 59 -11.694 9.932 -11.781 1.00 4.78 H new ATOM 0 HD13 ILE A 59 -10.634 11.296 -11.354 1.00 4.78 H new ATOM 837 N LYS A 60 -5.924 7.525 -10.164 1.00 2.98 N ATOM 838 CA LYS A 60 -5.192 7.147 -8.935 1.00 4.29 C ATOM 839 C LYS A 60 -3.682 7.498 -9.062 1.00 3.04 C ATOM 840 O LYS A 60 -3.338 8.383 -9.845 1.00 2.47 O ATOM 841 CB LYS A 60 -5.472 5.685 -8.502 1.00 6.15 C ATOM 842 CG LYS A 60 -6.020 5.512 -7.071 1.00 8.27 C ATOM 843 CD LYS A 60 -7.544 5.633 -6.913 1.00 10.08 C ATOM 844 CE LYS A 60 -8.125 7.047 -6.794 1.00 10.59 C ATOM 845 NZ LYS A 60 -8.337 7.456 -5.383 1.00 12.71 N ATOM 0 H LYS A 60 -5.300 7.942 -10.855 1.00 2.98 H new ATOM 0 HA LYS A 60 -5.577 7.748 -8.111 1.00 4.29 H new ATOM 0 HB2 LYS A 60 -6.185 5.247 -9.201 1.00 6.15 H new ATOM 0 HB3 LYS A 60 -4.547 5.115 -8.590 1.00 6.15 H new ATOM 0 HG2 LYS A 60 -5.713 4.533 -6.702 1.00 8.27 H new ATOM 0 HG3 LYS A 60 -5.548 6.257 -6.430 1.00 8.27 H new ATOM 0 HD2 LYS A 60 -8.012 5.146 -7.768 1.00 10.08 H new ATOM 0 HD3 LYS A 60 -7.838 5.071 -6.026 1.00 10.08 H new ATOM 0 HE2 LYS A 60 -7.452 7.755 -7.277 1.00 10.59 H new ATOM 0 HE3 LYS A 60 -9.074 7.093 -7.329 1.00 10.59 H new ATOM 0 HZ1 LYS A 60 -8.731 8.418 -5.356 1.00 12.71 H new ATOM 0 HZ2 LYS A 60 -9.000 6.798 -4.927 1.00 12.71 H new ATOM 0 HZ3 LYS A 60 -7.429 7.439 -4.876 1.00 12.71 H new ATOM 859 N LEU A 61 -2.790 6.867 -8.276 1.00 2.92 N ATOM 860 CA LEU A 61 -1.345 7.161 -8.181 1.00 2.02 C ATOM 861 C LEU A 61 -0.491 5.912 -8.530 1.00 1.80 C ATOM 862 O LEU A 61 -1.056 4.932 -9.019 1.00 2.27 O ATOM 863 CB LEU A 61 -1.035 7.670 -6.755 1.00 2.35 C ATOM 864 CG LEU A 61 -1.809 8.872 -6.154 1.00 2.53 C ATOM 865 CD1 LEU A 61 -0.893 9.562 -5.139 1.00 3.36 C ATOM 866 CD2 LEU A 61 -2.310 9.948 -7.132 1.00 3.61 C ATOM 0 H LEU A 61 -3.068 6.103 -7.661 1.00 2.92 H new ATOM 0 HA LEU A 61 -1.085 7.932 -8.906 1.00 2.02 H new ATOM 0 HB2 LEU A 61 -1.175 6.828 -6.077 1.00 2.35 H new ATOM 0 HB3 LEU A 61 0.024 7.927 -6.730 1.00 2.35 H new ATOM 0 HG LEU A 61 -2.713 8.433 -5.732 1.00 2.53 H new ATOM 0 HD11 LEU A 61 -1.413 10.413 -4.700 1.00 3.36 H new ATOM 0 HD12 LEU A 61 -0.624 8.856 -4.353 1.00 3.36 H new ATOM 0 HD13 LEU A 61 0.010 9.908 -5.641 1.00 3.36 H new ATOM 0 HD21 LEU A 61 -2.833 10.728 -6.578 1.00 3.61 H new ATOM 0 HD22 LEU A 61 -1.461 10.384 -7.659 1.00 3.61 H new ATOM 0 HD23 LEU A 61 -2.991 9.496 -7.853 1.00 3.61 H new ATOM 878 N VAL A 62 0.830 5.880 -8.271 1.00 1.40 N ATOM 879 CA VAL A 62 1.624 4.631 -8.363 1.00 1.42 C ATOM 880 C VAL A 62 1.181 3.634 -7.287 1.00 1.66 C ATOM 881 O VAL A 62 0.817 2.508 -7.606 1.00 2.63 O ATOM 882 CB VAL A 62 3.149 4.859 -8.183 1.00 1.63 C ATOM 883 CG1 VAL A 62 3.956 3.549 -8.230 1.00 2.55 C ATOM 884 CG2 VAL A 62 3.729 5.804 -9.236 1.00 1.91 C ATOM 0 H VAL A 62 1.372 6.699 -7.997 1.00 1.40 H new ATOM 0 HA VAL A 62 1.444 4.245 -9.366 1.00 1.42 H new ATOM 0 HB VAL A 62 3.242 5.309 -7.194 1.00 1.63 H new ATOM 0 HG11 VAL A 62 5.015 3.769 -8.099 1.00 2.55 H new ATOM 0 HG12 VAL A 62 3.622 2.887 -7.431 1.00 2.55 H new ATOM 0 HG13 VAL A 62 3.803 3.062 -9.193 1.00 2.55 H new ATOM 0 HG21 VAL A 62 4.798 5.929 -9.064 1.00 1.91 H new ATOM 0 HG22 VAL A 62 3.568 5.385 -10.229 1.00 1.91 H new ATOM 0 HG23 VAL A 62 3.235 6.773 -9.167 1.00 1.91 H new ATOM 894 N GLY A 63 1.219 4.056 -6.018 1.00 1.34 N ATOM 895 CA GLY A 63 1.160 3.172 -4.854 1.00 1.36 C ATOM 896 C GLY A 63 1.742 3.830 -3.602 1.00 0.98 C ATOM 897 O GLY A 63 2.262 4.947 -3.654 1.00 1.05 O ATOM 0 H GLY A 63 1.293 5.042 -5.769 1.00 1.34 H new ATOM 0 HA2 GLY A 63 0.124 2.889 -4.666 1.00 1.36 H new ATOM 0 HA3 GLY A 63 1.707 2.254 -5.068 1.00 1.36 H new ATOM 901 N ALA A 64 1.591 3.149 -2.467 1.00 1.19 N ATOM 902 CA ALA A 64 1.953 3.635 -1.137 1.00 1.12 C ATOM 903 C ALA A 64 3.372 3.222 -0.732 1.00 0.97 C ATOM 904 O ALA A 64 3.748 2.061 -0.878 1.00 1.13 O ATOM 905 CB ALA A 64 0.934 3.068 -0.138 1.00 1.49 C ATOM 0 H ALA A 64 1.198 2.208 -2.448 1.00 1.19 H new ATOM 0 HA ALA A 64 1.936 4.725 -1.142 1.00 1.12 H new ATOM 0 HB1 ALA A 64 1.178 3.414 0.866 1.00 1.49 H new ATOM 0 HB2 ALA A 64 -0.066 3.408 -0.406 1.00 1.49 H new ATOM 0 HB3 ALA A 64 0.966 1.979 -0.164 1.00 1.49 H new ATOM 911 N ALA A 65 4.110 4.150 -0.126 1.00 0.88 N ATOM 912 CA ALA A 65 5.358 3.905 0.588 1.00 0.93 C ATOM 913 C ALA A 65 5.388 4.744 1.883 1.00 0.88 C ATOM 914 O ALA A 65 4.359 5.292 2.289 1.00 0.98 O ATOM 915 CB ALA A 65 6.511 4.213 -0.374 1.00 1.07 C ATOM 0 H ALA A 65 3.842 5.134 -0.120 1.00 0.88 H new ATOM 0 HA ALA A 65 5.454 2.866 0.904 1.00 0.93 H new ATOM 0 HB1 ALA A 65 7.462 4.039 0.130 1.00 1.07 H new ATOM 0 HB2 ALA A 65 6.440 3.564 -1.247 1.00 1.07 H new ATOM 0 HB3 ALA A 65 6.453 5.255 -0.690 1.00 1.07 H new ATOM 921 N THR A 66 6.557 4.841 2.529 1.00 0.86 N ATOM 922 CA THR A 66 6.795 5.642 3.745 1.00 0.93 C ATOM 923 C THR A 66 8.277 5.628 4.147 1.00 1.00 C ATOM 924 O THR A 66 8.849 4.540 4.271 1.00 1.09 O ATOM 925 CB THR A 66 5.860 5.266 4.909 1.00 1.13 C ATOM 926 OG1 THR A 66 6.041 6.244 5.904 1.00 1.59 O ATOM 927 CG2 THR A 66 6.112 3.864 5.477 1.00 1.39 C ATOM 0 H THR A 66 7.393 4.350 2.212 1.00 0.86 H new ATOM 0 HA THR A 66 6.541 6.672 3.495 1.00 0.93 H new ATOM 0 HB THR A 66 4.834 5.237 4.542 1.00 1.13 H new ATOM 0 HG1 THR A 66 5.180 6.665 6.109 1.00 1.59 H new ATOM 0 HG21 THR A 66 5.415 3.671 6.293 1.00 1.39 H new ATOM 0 HG22 THR A 66 5.966 3.122 4.692 1.00 1.39 H new ATOM 0 HG23 THR A 66 7.134 3.801 5.850 1.00 1.39 H new ATOM 935 N PRO A 67 8.896 6.799 4.427 1.00 1.14 N ATOM 936 CA PRO A 67 10.237 6.893 5.006 1.00 1.20 C ATOM 937 C PRO A 67 10.259 6.518 6.499 1.00 1.12 C ATOM 938 O PRO A 67 11.319 6.530 7.127 1.00 1.18 O ATOM 939 CB PRO A 67 10.662 8.346 4.777 1.00 1.44 C ATOM 940 CG PRO A 67 9.344 9.102 4.890 1.00 1.52 C ATOM 941 CD PRO A 67 8.350 8.140 4.242 1.00 1.36 C ATOM 0 HA PRO A 67 10.924 6.187 4.539 1.00 1.20 H new ATOM 0 HB2 PRO A 67 11.385 8.679 5.522 1.00 1.44 H new ATOM 0 HB3 PRO A 67 11.125 8.483 3.800 1.00 1.44 H new ATOM 0 HG2 PRO A 67 9.086 9.313 5.928 1.00 1.52 H new ATOM 0 HG3 PRO A 67 9.380 10.059 4.369 1.00 1.52 H new ATOM 0 HD2 PRO A 67 7.367 8.227 4.705 1.00 1.36 H new ATOM 0 HD3 PRO A 67 8.225 8.366 3.183 1.00 1.36 H new ATOM 949 N LEU A 68 9.105 6.171 7.085 1.00 1.09 N ATOM 950 CA LEU A 68 9.042 5.561 8.414 1.00 1.05 C ATOM 951 C LEU A 68 9.705 4.174 8.432 1.00 0.96 C ATOM 952 O LEU A 68 10.068 3.712 9.510 1.00 1.08 O ATOM 953 CB LEU A 68 7.582 5.500 8.911 1.00 1.19 C ATOM 954 CG LEU A 68 7.043 6.765 9.616 1.00 1.43 C ATOM 955 CD1 LEU A 68 7.703 6.950 10.993 1.00 2.51 C ATOM 956 CD2 LEU A 68 7.196 8.057 8.799 1.00 2.30 C ATOM 0 H LEU A 68 8.193 6.306 6.650 1.00 1.09 H new ATOM 0 HA LEU A 68 9.607 6.190 9.102 1.00 1.05 H new ATOM 0 HB2 LEU A 68 6.939 5.284 8.057 1.00 1.19 H new ATOM 0 HB3 LEU A 68 7.490 4.660 9.599 1.00 1.19 H new ATOM 0 HG LEU A 68 5.973 6.591 9.729 1.00 1.43 H new ATOM 0 HD11 LEU A 68 7.307 7.847 11.469 1.00 2.51 H new ATOM 0 HD12 LEU A 68 7.489 6.083 11.618 1.00 2.51 H new ATOM 0 HD13 LEU A 68 8.781 7.051 10.869 1.00 2.51 H new ATOM 0 HD21 LEU A 68 6.793 8.896 9.366 1.00 2.30 H new ATOM 0 HD22 LEU A 68 8.251 8.233 8.591 1.00 2.30 H new ATOM 0 HD23 LEU A 68 6.652 7.960 7.859 1.00 2.30 H new ATOM 968 N ALA A 69 9.916 3.545 7.276 1.00 0.99 N ATOM 969 CA ALA A 69 10.755 2.357 7.115 1.00 1.06 C ATOM 970 C ALA A 69 12.157 2.730 6.586 1.00 1.12 C ATOM 971 O ALA A 69 12.272 3.521 5.641 1.00 1.34 O ATOM 972 CB ALA A 69 10.013 1.412 6.161 1.00 1.28 C ATOM 0 H ALA A 69 9.496 3.857 6.400 1.00 0.99 H new ATOM 0 HA ALA A 69 10.922 1.866 8.074 1.00 1.06 H new ATOM 0 HB1 ALA A 69 10.604 0.509 6.011 1.00 1.28 H new ATOM 0 HB2 ALA A 69 9.047 1.146 6.590 1.00 1.28 H new ATOM 0 HB3 ALA A 69 9.860 1.909 5.203 1.00 1.28 H new ATOM 978 N THR A 70 13.208 2.093 7.127 1.00 1.09 N ATOM 979 CA THR A 70 14.573 2.091 6.557 1.00 1.12 C ATOM 980 C THR A 70 14.591 1.474 5.154 1.00 1.10 C ATOM 981 O THR A 70 15.489 1.762 4.366 1.00 1.17 O ATOM 982 CB THR A 70 15.553 1.386 7.510 1.00 1.22 C ATOM 983 OG1 THR A 70 15.506 2.020 8.772 1.00 1.49 O ATOM 984 CG2 THR A 70 17.013 1.462 7.056 1.00 1.68 C ATOM 0 H THR A 70 13.136 1.553 7.990 1.00 1.09 H new ATOM 0 HA THR A 70 14.902 3.124 6.449 1.00 1.12 H new ATOM 0 HB THR A 70 15.244 0.341 7.535 1.00 1.22 H new ATOM 0 HG1 THR A 70 14.703 1.731 9.254 1.00 1.49 H new ATOM 0 HG21 THR A 70 17.646 0.944 7.777 1.00 1.68 H new ATOM 0 HG22 THR A 70 17.115 0.991 6.078 1.00 1.68 H new ATOM 0 HG23 THR A 70 17.319 2.506 6.989 1.00 1.68 H new ATOM 992 N SER A 71 13.565 0.706 4.774 1.00 1.18 N ATOM 993 CA SER A 71 13.232 0.418 3.374 1.00 1.37 C ATOM 994 C SER A 71 11.730 0.145 3.149 1.00 1.27 C ATOM 995 O SER A 71 11.203 -0.848 3.657 1.00 1.22 O ATOM 996 CB SER A 71 14.049 -0.781 2.878 1.00 1.62 C ATOM 997 OG SER A 71 15.377 -0.376 2.620 1.00 2.14 O ATOM 0 H SER A 71 12.933 0.260 5.439 1.00 1.18 H new ATOM 0 HA SER A 71 13.483 1.313 2.805 1.00 1.37 H new ATOM 0 HB2 SER A 71 14.039 -1.575 3.625 1.00 1.62 H new ATOM 0 HB3 SER A 71 13.601 -1.190 1.973 1.00 1.62 H new ATOM 0 HG SER A 71 15.569 0.449 3.113 1.00 2.14 H new ATOM 1003 N PRO A 72 11.018 0.974 2.356 1.00 1.27 N ATOM 1004 CA PRO A 72 9.700 0.629 1.836 1.00 1.20 C ATOM 1005 C PRO A 72 9.847 -0.299 0.617 1.00 1.29 C ATOM 1006 O PRO A 72 10.311 0.105 -0.453 1.00 1.63 O ATOM 1007 CB PRO A 72 9.033 1.965 1.505 1.00 1.23 C ATOM 1008 CG PRO A 72 10.206 2.879 1.147 1.00 1.39 C ATOM 1009 CD PRO A 72 11.369 2.340 1.983 1.00 1.38 C ATOM 0 HA PRO A 72 9.086 0.076 2.547 1.00 1.20 H new ATOM 0 HB2 PRO A 72 8.333 1.868 0.675 1.00 1.23 H new ATOM 0 HB3 PRO A 72 8.469 2.352 2.354 1.00 1.23 H new ATOM 0 HG2 PRO A 72 10.430 2.841 0.081 1.00 1.39 H new ATOM 0 HG3 PRO A 72 9.989 3.919 1.390 1.00 1.39 H new ATOM 0 HD2 PRO A 72 12.298 2.359 1.412 1.00 1.38 H new ATOM 0 HD3 PRO A 72 11.527 2.955 2.869 1.00 1.38 H new ATOM 1017 N MET A 73 9.460 -1.561 0.815 1.00 1.10 N ATOM 1018 CA MET A 73 9.494 -2.664 -0.154 1.00 1.15 C ATOM 1019 C MET A 73 8.093 -2.909 -0.734 1.00 1.13 C ATOM 1020 O MET A 73 7.110 -2.727 -0.021 1.00 1.53 O ATOM 1021 CB MET A 73 9.981 -3.903 0.611 1.00 1.19 C ATOM 1022 CG MET A 73 10.537 -4.999 -0.307 1.00 1.42 C ATOM 1023 SD MET A 73 10.964 -6.529 0.570 1.00 1.90 S ATOM 1024 CE MET A 73 12.219 -7.176 -0.564 1.00 2.30 C ATOM 0 H MET A 73 9.089 -1.862 1.716 1.00 1.10 H new ATOM 0 HA MET A 73 10.155 -2.434 -0.989 1.00 1.15 H new ATOM 0 HB2 MET A 73 10.754 -3.604 1.319 1.00 1.19 H new ATOM 0 HB3 MET A 73 9.155 -4.310 1.194 1.00 1.19 H new ATOM 0 HG2 MET A 73 9.800 -5.225 -1.078 1.00 1.42 H new ATOM 0 HG3 MET A 73 11.424 -4.621 -0.815 1.00 1.42 H new ATOM 0 HE1 MET A 73 12.393 -8.231 -0.350 1.00 2.30 H new ATOM 0 HE2 MET A 73 11.872 -7.066 -1.591 1.00 2.30 H new ATOM 0 HE3 MET A 73 13.148 -6.621 -0.434 1.00 2.30 H new ATOM 1034 N LEU A 74 7.954 -3.323 -1.999 1.00 0.96 N ATOM 1035 CA LEU A 74 6.642 -3.417 -2.652 1.00 0.97 C ATOM 1036 C LEU A 74 6.524 -4.699 -3.496 1.00 0.94 C ATOM 1037 O LEU A 74 7.238 -4.834 -4.492 1.00 1.08 O ATOM 1038 CB LEU A 74 6.410 -2.163 -3.524 1.00 1.25 C ATOM 1039 CG LEU A 74 6.501 -0.781 -2.832 1.00 1.65 C ATOM 1040 CD1 LEU A 74 7.912 -0.172 -2.910 1.00 1.64 C ATOM 1041 CD2 LEU A 74 5.536 0.211 -3.505 1.00 3.16 C ATOM 0 H LEU A 74 8.736 -3.599 -2.593 1.00 0.96 H new ATOM 0 HA LEU A 74 5.873 -3.467 -1.881 1.00 0.97 H new ATOM 0 HB2 LEU A 74 7.136 -2.180 -4.337 1.00 1.25 H new ATOM 0 HB3 LEU A 74 5.422 -2.247 -3.977 1.00 1.25 H new ATOM 0 HG LEU A 74 6.242 -0.946 -1.786 1.00 1.65 H new ATOM 0 HD11 LEU A 74 7.919 0.796 -2.409 1.00 1.64 H new ATOM 0 HD12 LEU A 74 8.623 -0.838 -2.422 1.00 1.64 H new ATOM 0 HD13 LEU A 74 8.195 -0.042 -3.955 1.00 1.64 H new ATOM 0 HD21 LEU A 74 5.607 1.180 -3.011 1.00 3.16 H new ATOM 0 HD22 LEU A 74 5.801 0.319 -4.557 1.00 3.16 H new ATOM 0 HD23 LEU A 74 4.515 -0.163 -3.424 1.00 3.16 H new ATOM 1053 N MET A 75 5.581 -5.596 -3.183 1.00 0.99 N ATOM 1054 CA MET A 75 5.396 -6.886 -3.880 1.00 1.19 C ATOM 1055 C MET A 75 3.976 -7.075 -4.439 1.00 1.25 C ATOM 1056 O MET A 75 2.999 -6.605 -3.861 1.00 1.58 O ATOM 1057 CB MET A 75 5.713 -8.039 -2.912 1.00 1.41 C ATOM 1058 CG MET A 75 7.208 -8.149 -2.579 1.00 1.90 C ATOM 1059 SD MET A 75 8.274 -8.484 -4.009 1.00 3.05 S ATOM 1060 CE MET A 75 9.744 -9.097 -3.151 1.00 3.74 C ATOM 0 H MET A 75 4.912 -5.449 -2.427 1.00 0.99 H new ATOM 0 HA MET A 75 6.079 -6.887 -4.730 1.00 1.19 H new ATOM 0 HB2 MET A 75 5.150 -7.896 -1.989 1.00 1.41 H new ATOM 0 HB3 MET A 75 5.374 -8.978 -3.350 1.00 1.41 H new ATOM 0 HG2 MET A 75 7.532 -7.220 -2.110 1.00 1.90 H new ATOM 0 HG3 MET A 75 7.346 -8.942 -1.845 1.00 1.90 H new ATOM 0 HE1 MET A 75 10.511 -9.354 -3.882 1.00 3.74 H new ATOM 0 HE2 MET A 75 10.124 -8.324 -2.483 1.00 3.74 H new ATOM 0 HE3 MET A 75 9.484 -9.983 -2.571 1.00 3.74 H new ATOM 1070 N THR A 76 3.859 -7.807 -5.557 1.00 1.29 N ATOM 1071 CA THR A 76 2.590 -8.289 -6.125 1.00 1.34 C ATOM 1072 C THR A 76 2.857 -9.481 -7.031 1.00 1.49 C ATOM 1073 O THR A 76 3.790 -9.484 -7.833 1.00 1.77 O ATOM 1074 CB THR A 76 1.738 -7.184 -6.779 1.00 1.61 C ATOM 1075 OG1 THR A 76 0.561 -7.727 -7.334 1.00 2.28 O ATOM 1076 CG2 THR A 76 2.480 -6.421 -7.877 1.00 2.29 C ATOM 0 H THR A 76 4.670 -8.089 -6.108 1.00 1.29 H new ATOM 0 HA THR A 76 1.961 -8.628 -5.302 1.00 1.34 H new ATOM 0 HB THR A 76 1.501 -6.482 -5.979 1.00 1.61 H new ATOM 0 HG1 THR A 76 0.250 -8.471 -6.777 1.00 2.28 H new ATOM 0 HG21 THR A 76 1.824 -5.658 -8.296 1.00 2.29 H new ATOM 0 HG22 THR A 76 3.366 -5.947 -7.455 1.00 2.29 H new ATOM 0 HG23 THR A 76 2.779 -7.114 -8.663 1.00 2.29 H new ATOM 1084 N THR A 77 2.030 -10.500 -6.847 1.00 1.48 N ATOM 1085 CA THR A 77 2.178 -11.863 -7.345 1.00 1.78 C ATOM 1086 C THR A 77 1.022 -12.097 -8.323 1.00 1.88 C ATOM 1087 O THR A 77 0.450 -11.156 -8.871 1.00 2.46 O ATOM 1088 CB THR A 77 2.214 -12.842 -6.145 1.00 1.87 C ATOM 1089 OG1 THR A 77 2.943 -12.270 -5.075 1.00 2.27 O ATOM 1090 CG2 THR A 77 2.930 -14.160 -6.456 1.00 2.83 C ATOM 0 H THR A 77 1.173 -10.389 -6.305 1.00 1.48 H new ATOM 0 HA THR A 77 3.112 -12.031 -7.881 1.00 1.78 H new ATOM 0 HB THR A 77 1.169 -13.033 -5.903 1.00 1.87 H new ATOM 0 HG1 THR A 77 2.960 -12.894 -4.320 1.00 2.27 H new ATOM 0 HG21 THR A 77 2.918 -14.798 -5.572 1.00 2.83 H new ATOM 0 HG22 THR A 77 2.420 -14.666 -7.276 1.00 2.83 H new ATOM 0 HG23 THR A 77 3.962 -13.955 -6.742 1.00 2.83 H new ATOM 1098 N THR A 78 0.628 -13.347 -8.556 1.00 2.31 N ATOM 1099 CA THR A 78 -0.538 -13.708 -9.369 1.00 2.40 C ATOM 1100 C THR A 78 -1.855 -13.307 -8.719 1.00 2.36 C ATOM 1101 O THR A 78 -2.574 -14.107 -8.126 1.00 3.88 O ATOM 1102 CB THR A 78 -0.513 -15.187 -9.762 1.00 4.29 C ATOM 1103 OG1 THR A 78 -0.109 -15.979 -8.669 1.00 5.21 O ATOM 1104 CG2 THR A 78 0.469 -15.446 -10.906 1.00 5.68 C ATOM 0 H THR A 78 1.119 -14.157 -8.178 1.00 2.31 H new ATOM 0 HA THR A 78 -0.470 -13.128 -10.289 1.00 2.40 H new ATOM 0 HB THR A 78 -1.523 -15.447 -10.077 1.00 4.29 H new ATOM 0 HG1 THR A 78 -0.099 -16.922 -8.934 1.00 5.21 H new ATOM 0 HG21 THR A 78 0.461 -16.506 -11.159 1.00 5.68 H new ATOM 0 HG22 THR A 78 0.174 -14.862 -11.778 1.00 5.68 H new ATOM 0 HG23 THR A 78 1.473 -15.154 -10.597 1.00 5.68 H new ATOM 1112 N HIS A 79 -2.196 -12.037 -8.874 1.00 2.19 N ATOM 1113 CA HIS A 79 -3.428 -11.419 -8.409 1.00 3.35 C ATOM 1114 C HIS A 79 -3.786 -10.197 -9.265 1.00 3.28 C ATOM 1115 O HIS A 79 -2.974 -9.298 -9.457 1.00 4.66 O ATOM 1116 CB HIS A 79 -3.252 -11.061 -6.924 1.00 5.25 C ATOM 1117 CG HIS A 79 -4.523 -11.133 -6.127 1.00 6.20 C ATOM 1118 ND1 HIS A 79 -4.872 -12.146 -5.260 1.00 6.90 N ATOM 1119 CD2 HIS A 79 -5.541 -10.221 -6.117 1.00 7.23 C ATOM 1120 CE1 HIS A 79 -6.078 -11.850 -4.746 1.00 7.98 C ATOM 1121 NE2 HIS A 79 -6.536 -10.689 -5.251 1.00 8.31 N ATOM 0 H HIS A 79 -1.587 -11.374 -9.354 1.00 2.19 H new ATOM 0 HA HIS A 79 -4.263 -12.112 -8.510 1.00 3.35 H new ATOM 0 HB2 HIS A 79 -2.519 -11.735 -6.482 1.00 5.25 H new ATOM 0 HB3 HIS A 79 -2.844 -10.053 -6.849 1.00 5.25 H new ATOM 0 HD1 HIS A 79 -4.314 -12.973 -5.047 1.00 6.90 H new ATOM 0 HD2 HIS A 79 -5.572 -9.300 -6.679 1.00 7.23 H new ATOM 0 HE1 HIS A 79 -6.606 -12.459 -4.027 1.00 7.98 H new ATOM 1129 N SER A 80 -4.998 -10.179 -9.826 1.00 2.50 N ATOM 1130 CA SER A 80 -5.486 -9.251 -10.853 1.00 2.79 C ATOM 1131 C SER A 80 -6.891 -9.712 -11.295 1.00 2.70 C ATOM 1132 O SER A 80 -7.371 -10.743 -10.822 1.00 3.68 O ATOM 1133 CB SER A 80 -4.500 -9.206 -12.041 1.00 3.62 C ATOM 1134 OG SER A 80 -4.882 -8.324 -13.075 1.00 5.04 O ATOM 0 H SER A 80 -5.712 -10.856 -9.558 1.00 2.50 H new ATOM 0 HA SER A 80 -5.554 -8.239 -10.454 1.00 2.79 H new ATOM 0 HB2 SER A 80 -3.517 -8.912 -11.672 1.00 3.62 H new ATOM 0 HB3 SER A 80 -4.399 -10.210 -12.453 1.00 3.62 H new ATOM 0 HG SER A 80 -4.109 -8.137 -13.648 1.00 5.04 H new ATOM 1140 N GLY A 81 -7.527 -9.006 -12.239 1.00 2.47 N ATOM 1141 CA GLY A 81 -8.777 -9.458 -12.879 1.00 3.02 C ATOM 1142 C GLY A 81 -8.551 -10.491 -13.989 1.00 3.60 C ATOM 1143 O GLY A 81 -9.417 -11.313 -14.253 1.00 4.79 O ATOM 0 H GLY A 81 -7.193 -8.106 -12.583 1.00 2.47 H new ATOM 0 HA2 GLY A 81 -9.431 -9.888 -12.120 1.00 3.02 H new ATOM 0 HA3 GLY A 81 -9.296 -8.595 -13.296 1.00 3.02 H new ATOM 1147 N GLY A 82 -7.368 -10.455 -14.614 1.00 3.41 N ATOM 1148 CA GLY A 82 -6.932 -11.386 -15.678 1.00 4.40 C ATOM 1149 C GLY A 82 -5.502 -11.174 -16.195 1.00 4.25 C ATOM 1150 O GLY A 82 -5.111 -11.769 -17.203 1.00 5.05 O ATOM 0 H GLY A 82 -6.660 -9.756 -14.390 1.00 3.41 H new ATOM 0 HA2 GLY A 82 -7.017 -12.406 -15.302 1.00 4.40 H new ATOM 0 HA3 GLY A 82 -7.621 -11.298 -16.518 1.00 4.40 H new ATOM 1154 N MET A 83 -4.707 -10.348 -15.496 1.00 3.40 N ATOM 1155 CA MET A 83 -3.369 -9.908 -15.909 1.00 3.24 C ATOM 1156 C MET A 83 -2.439 -10.051 -14.701 1.00 2.52 C ATOM 1157 O MET A 83 -2.087 -9.083 -14.030 1.00 2.64 O ATOM 1158 CB MET A 83 -3.444 -8.488 -16.496 1.00 3.67 C ATOM 1159 CG MET A 83 -2.155 -8.071 -17.214 1.00 4.25 C ATOM 1160 SD MET A 83 -1.692 -9.149 -18.595 1.00 6.18 S ATOM 1161 CE MET A 83 -0.450 -8.106 -19.397 1.00 6.54 C ATOM 0 H MET A 83 -4.990 -9.956 -14.598 1.00 3.40 H new ATOM 0 HA MET A 83 -2.959 -10.524 -16.709 1.00 3.24 H new ATOM 0 HB2 MET A 83 -4.278 -8.433 -17.196 1.00 3.67 H new ATOM 0 HB3 MET A 83 -3.653 -7.779 -15.695 1.00 3.67 H new ATOM 0 HG2 MET A 83 -2.273 -7.053 -17.586 1.00 4.25 H new ATOM 0 HG3 MET A 83 -1.339 -8.054 -16.491 1.00 4.25 H new ATOM 0 HE1 MET A 83 -0.056 -8.619 -20.274 1.00 6.54 H new ATOM 0 HE2 MET A 83 -0.907 -7.165 -19.702 1.00 6.54 H new ATOM 0 HE3 MET A 83 0.362 -7.905 -18.699 1.00 6.54 H new ATOM 1171 N ALA A 84 -2.180 -11.311 -14.359 1.00 2.75 N ATOM 1172 CA ALA A 84 -1.564 -11.790 -13.130 1.00 2.36 C ATOM 1173 C ALA A 84 -0.181 -12.410 -13.422 1.00 3.04 C ATOM 1174 O ALA A 84 -0.030 -13.074 -14.453 1.00 4.23 O ATOM 1175 CB ALA A 84 -2.541 -12.821 -12.548 1.00 3.03 C ATOM 0 H ALA A 84 -2.415 -12.081 -14.985 1.00 2.75 H new ATOM 0 HA ALA A 84 -1.386 -10.982 -12.420 1.00 2.36 H new ATOM 0 HB1 ALA A 84 -2.136 -13.222 -11.619 1.00 3.03 H new ATOM 0 HB2 ALA A 84 -3.500 -12.342 -12.349 1.00 3.03 H new ATOM 0 HB3 ALA A 84 -2.682 -13.632 -13.262 1.00 3.03 H new ATOM 1181 N GLY A 85 0.804 -12.212 -12.539 1.00 2.51 N ATOM 1182 CA GLY A 85 2.173 -12.693 -12.725 1.00 3.16 C ATOM 1183 C GLY A 85 3.089 -12.296 -11.576 1.00 2.35 C ATOM 1184 O GLY A 85 2.874 -11.284 -10.915 1.00 1.98 O ATOM 0 H GLY A 85 0.668 -11.706 -11.664 1.00 2.51 H new ATOM 0 HA2 GLY A 85 2.164 -13.779 -12.820 1.00 3.16 H new ATOM 0 HA3 GLY A 85 2.572 -12.295 -13.658 1.00 3.16 H new ATOM 1188 N MET A 86 4.124 -13.093 -11.329 1.00 3.04 N ATOM 1189 CA MET A 86 5.089 -12.872 -10.243 1.00 2.56 C ATOM 1190 C MET A 86 5.991 -11.669 -10.550 1.00 2.42 C ATOM 1191 O MET A 86 6.712 -11.680 -11.553 1.00 3.34 O ATOM 1192 CB MET A 86 5.968 -14.118 -10.028 1.00 3.46 C ATOM 1193 CG MET A 86 5.205 -15.379 -9.608 1.00 4.77 C ATOM 1194 SD MET A 86 4.278 -16.209 -10.924 1.00 5.41 S ATOM 1195 CE MET A 86 3.947 -17.763 -10.062 1.00 7.33 C ATOM 0 H MET A 86 4.324 -13.925 -11.883 1.00 3.04 H new ATOM 0 HA MET A 86 4.519 -12.673 -9.335 1.00 2.56 H new ATOM 0 HB2 MET A 86 6.508 -14.328 -10.951 1.00 3.46 H new ATOM 0 HB3 MET A 86 6.714 -13.892 -9.267 1.00 3.46 H new ATOM 0 HG2 MET A 86 5.917 -16.089 -9.186 1.00 4.77 H new ATOM 0 HG3 MET A 86 4.510 -15.113 -8.811 1.00 4.77 H new ATOM 0 HE1 MET A 86 3.376 -18.425 -10.713 1.00 7.33 H new ATOM 0 HE2 MET A 86 4.890 -18.240 -9.796 1.00 7.33 H new ATOM 0 HE3 MET A 86 3.375 -17.562 -9.156 1.00 7.33 H new ATOM 1205 N LYS A 87 5.989 -10.643 -9.684 1.00 1.88 N ATOM 1206 CA LYS A 87 6.807 -9.427 -9.847 1.00 2.55 C ATOM 1207 C LYS A 87 6.995 -8.593 -8.547 1.00 1.42 C ATOM 1208 O LYS A 87 6.707 -9.032 -7.435 1.00 2.09 O ATOM 1209 CB LYS A 87 6.267 -8.591 -11.040 1.00 4.52 C ATOM 1210 CG LYS A 87 4.945 -7.855 -10.760 1.00 5.82 C ATOM 1211 CD LYS A 87 4.483 -7.065 -11.995 1.00 7.78 C ATOM 1212 CE LYS A 87 3.546 -5.912 -11.612 1.00 9.31 C ATOM 1213 NZ LYS A 87 4.300 -4.687 -11.252 1.00 10.40 N ATOM 0 H LYS A 87 5.414 -10.633 -8.842 1.00 1.88 H new ATOM 0 HA LYS A 87 7.822 -9.751 -10.078 1.00 2.55 H new ATOM 0 HB2 LYS A 87 7.022 -7.858 -11.325 1.00 4.52 H new ATOM 0 HB3 LYS A 87 6.126 -9.252 -11.895 1.00 4.52 H new ATOM 0 HG2 LYS A 87 4.177 -8.574 -10.476 1.00 5.82 H new ATOM 0 HG3 LYS A 87 5.074 -7.176 -9.917 1.00 5.82 H new ATOM 0 HD2 LYS A 87 5.352 -6.669 -12.520 1.00 7.78 H new ATOM 0 HD3 LYS A 87 3.972 -7.735 -12.686 1.00 7.78 H new ATOM 0 HE2 LYS A 87 2.877 -5.695 -12.445 1.00 9.31 H new ATOM 0 HE3 LYS A 87 2.922 -6.215 -10.771 1.00 9.31 H new ATOM 0 HZ1 LYS A 87 3.774 -4.156 -10.529 1.00 10.40 H new ATOM 0 HZ2 LYS A 87 5.233 -4.951 -10.877 1.00 10.40 H new ATOM 0 HZ3 LYS A 87 4.422 -4.093 -12.097 1.00 10.40 H new ATOM 1227 N MET A 88 7.492 -7.361 -8.705 1.00 1.65 N ATOM 1228 CA MET A 88 7.566 -6.315 -7.673 1.00 1.65 C ATOM 1229 C MET A 88 6.634 -5.140 -8.026 1.00 1.67 C ATOM 1230 O MET A 88 6.264 -4.993 -9.193 1.00 2.63 O ATOM 1231 CB MET A 88 9.028 -5.848 -7.532 1.00 2.61 C ATOM 1232 CG MET A 88 9.603 -5.275 -8.838 1.00 3.05 C ATOM 1233 SD MET A 88 11.239 -4.532 -8.662 1.00 4.31 S ATOM 1234 CE MET A 88 11.375 -3.815 -10.321 1.00 4.77 C ATOM 0 H MET A 88 7.873 -7.049 -9.598 1.00 1.65 H new ATOM 0 HA MET A 88 7.232 -6.719 -6.717 1.00 1.65 H new ATOM 0 HB2 MET A 88 9.088 -5.090 -6.751 1.00 2.61 H new ATOM 0 HB3 MET A 88 9.643 -6.688 -7.208 1.00 2.61 H new ATOM 0 HG2 MET A 88 9.656 -6.072 -9.579 1.00 3.05 H new ATOM 0 HG3 MET A 88 8.915 -4.524 -9.226 1.00 3.05 H new ATOM 0 HE1 MET A 88 12.332 -3.302 -10.418 1.00 4.77 H new ATOM 0 HE2 MET A 88 11.311 -4.608 -11.066 1.00 4.77 H new ATOM 0 HE3 MET A 88 10.564 -3.103 -10.477 1.00 4.77 H new ATOM 1244 N VAL A 89 6.308 -4.293 -7.045 1.00 1.46 N ATOM 1245 CA VAL A 89 5.671 -2.966 -7.167 1.00 1.32 C ATOM 1246 C VAL A 89 4.232 -3.044 -7.718 1.00 1.22 C ATOM 1247 O VAL A 89 4.056 -3.243 -8.923 1.00 1.50 O ATOM 1248 CB VAL A 89 6.520 -1.972 -8.005 1.00 1.43 C ATOM 1249 CG1 VAL A 89 5.882 -0.570 -8.028 1.00 2.46 C ATOM 1250 CG2 VAL A 89 7.950 -1.827 -7.448 1.00 2.58 C ATOM 0 H VAL A 89 6.494 -4.529 -6.070 1.00 1.46 H new ATOM 0 HA VAL A 89 5.614 -2.580 -6.149 1.00 1.32 H new ATOM 0 HB VAL A 89 6.558 -2.386 -9.013 1.00 1.43 H new ATOM 0 HG11 VAL A 89 6.501 0.102 -8.623 1.00 2.46 H new ATOM 0 HG12 VAL A 89 4.886 -0.631 -8.467 1.00 2.46 H new ATOM 0 HG13 VAL A 89 5.807 -0.188 -7.010 1.00 2.46 H new ATOM 0 HG21 VAL A 89 8.510 -1.123 -8.063 1.00 2.58 H new ATOM 0 HG22 VAL A 89 7.906 -1.458 -6.423 1.00 2.58 H new ATOM 0 HG23 VAL A 89 8.447 -2.797 -7.463 1.00 2.58 H new ATOM 1260 N PRO A 90 3.185 -2.880 -6.888 1.00 1.38 N ATOM 1261 CA PRO A 90 1.808 -2.875 -7.358 1.00 1.53 C ATOM 1262 C PRO A 90 1.423 -1.541 -7.992 1.00 1.42 C ATOM 1263 O PRO A 90 2.179 -0.572 -7.972 1.00 2.20 O ATOM 1264 CB PRO A 90 0.979 -3.190 -6.121 1.00 2.16 C ATOM 1265 CG PRO A 90 1.766 -2.535 -4.991 1.00 2.31 C ATOM 1266 CD PRO A 90 3.217 -2.698 -5.442 1.00 1.83 C ATOM 0 HA PRO A 90 1.644 -3.605 -8.151 1.00 1.53 H new ATOM 0 HB2 PRO A 90 -0.029 -2.782 -6.198 1.00 2.16 H new ATOM 0 HB3 PRO A 90 0.877 -4.264 -5.969 1.00 2.16 H new ATOM 0 HG2 PRO A 90 1.497 -1.486 -4.868 1.00 2.31 H new ATOM 0 HG3 PRO A 90 1.583 -3.025 -4.035 1.00 2.31 H new ATOM 0 HD2 PRO A 90 3.807 -1.821 -5.175 1.00 1.83 H new ATOM 0 HD3 PRO A 90 3.681 -3.555 -4.954 1.00 1.83 H new ATOM 1274 N TRP A 91 0.218 -1.507 -8.566 1.00 1.75 N ATOM 1275 CA TRP A 91 -0.415 -0.312 -9.114 1.00 1.85 C ATOM 1276 C TRP A 91 -1.490 0.246 -8.180 1.00 2.38 C ATOM 1277 O TRP A 91 -2.135 -0.475 -7.421 1.00 2.94 O ATOM 1278 CB TRP A 91 -1.048 -0.638 -10.480 1.00 2.19 C ATOM 1279 CG TRP A 91 -1.876 -1.898 -10.543 1.00 2.48 C ATOM 1280 CD1 TRP A 91 -3.069 -2.105 -9.934 1.00 2.38 C ATOM 1281 CD2 TRP A 91 -1.540 -3.182 -11.174 1.00 3.19 C ATOM 1282 NE1 TRP A 91 -3.488 -3.399 -10.144 1.00 2.82 N ATOM 1283 CE2 TRP A 91 -2.565 -4.127 -10.860 1.00 3.39 C ATOM 1284 CE3 TRP A 91 -0.460 -3.653 -11.952 1.00 3.87 C ATOM 1285 CZ2 TRP A 91 -2.505 -5.471 -11.261 1.00 4.18 C ATOM 1286 CZ3 TRP A 91 -0.402 -4.996 -12.382 1.00 4.73 C ATOM 1287 CH2 TRP A 91 -1.414 -5.906 -12.030 1.00 4.88 C ATOM 0 H TRP A 91 -0.361 -2.341 -8.664 1.00 1.75 H new ATOM 0 HA TRP A 91 0.360 0.446 -9.227 1.00 1.85 H new ATOM 0 HB2 TRP A 91 -1.677 0.201 -10.776 1.00 2.19 H new ATOM 0 HB3 TRP A 91 -0.250 -0.714 -11.219 1.00 2.19 H new ATOM 0 HD1 TRP A 91 -3.611 -1.363 -9.367 1.00 2.38 H new ATOM 0 HE1 TRP A 91 -4.376 -3.774 -9.809 1.00 2.82 H new ATOM 0 HE3 TRP A 91 0.335 -2.974 -12.223 1.00 3.87 H new ATOM 0 HZ2 TRP A 91 -3.288 -6.161 -10.982 1.00 4.18 H new ATOM 0 HZ3 TRP A 91 0.428 -5.328 -12.988 1.00 4.73 H new ATOM 0 HH2 TRP A 91 -1.352 -6.936 -12.350 1.00 4.88 H new ATOM 1298 N LEU A 92 -1.768 1.542 -8.339 1.00 2.69 N ATOM 1299 CA LEU A 92 -3.002 2.171 -7.892 1.00 3.47 C ATOM 1300 C LEU A 92 -3.809 2.687 -9.084 1.00 3.01 C ATOM 1301 O LEU A 92 -5.013 2.470 -9.122 1.00 3.92 O ATOM 1302 CB LEU A 92 -2.658 3.258 -6.851 1.00 4.69 C ATOM 1303 CG LEU A 92 -3.408 3.070 -5.527 1.00 5.84 C ATOM 1304 CD1 LEU A 92 -2.937 1.826 -4.760 1.00 6.89 C ATOM 1305 CD2 LEU A 92 -3.204 4.314 -4.653 1.00 7.09 C ATOM 0 H LEU A 92 -1.125 2.192 -8.792 1.00 2.69 H new ATOM 0 HA LEU A 92 -3.649 1.445 -7.400 1.00 3.47 H new ATOM 0 HB2 LEU A 92 -1.585 3.246 -6.660 1.00 4.69 H new ATOM 0 HB3 LEU A 92 -2.897 4.238 -7.263 1.00 4.69 H new ATOM 0 HG LEU A 92 -4.463 2.930 -5.761 1.00 5.84 H new ATOM 0 HD11 LEU A 92 -3.499 1.738 -3.830 1.00 6.89 H new ATOM 0 HD12 LEU A 92 -3.103 0.938 -5.370 1.00 6.89 H new ATOM 0 HD13 LEU A 92 -1.874 1.918 -4.535 1.00 6.89 H new ATOM 0 HD21 LEU A 92 -3.735 4.187 -3.710 1.00 7.09 H new ATOM 0 HD22 LEU A 92 -2.141 4.450 -4.456 1.00 7.09 H new ATOM 0 HD23 LEU A 92 -3.591 5.191 -5.172 1.00 7.09 H new ATOM 1317 N THR A 93 -3.162 3.378 -10.032 1.00 2.56 N ATOM 1318 CA THR A 93 -3.793 4.047 -11.193 1.00 2.82 C ATOM 1319 C THR A 93 -4.634 3.055 -11.978 1.00 2.33 C ATOM 1320 O THR A 93 -4.101 2.237 -12.719 1.00 2.73 O ATOM 1321 CB THR A 93 -2.766 4.739 -12.094 1.00 3.85 C ATOM 1322 OG1 THR A 93 -2.137 5.732 -11.324 1.00 4.73 O ATOM 1323 CG2 THR A 93 -3.411 5.456 -13.283 1.00 4.82 C ATOM 0 H THR A 93 -2.149 3.495 -10.017 1.00 2.56 H new ATOM 0 HA THR A 93 -4.445 4.831 -10.807 1.00 2.82 H new ATOM 0 HB THR A 93 -2.086 3.976 -12.473 1.00 3.85 H new ATOM 0 HG1 THR A 93 -1.507 5.313 -10.701 1.00 4.73 H new ATOM 0 HG21 THR A 93 -2.636 5.928 -13.887 1.00 4.82 H new ATOM 0 HG22 THR A 93 -3.956 4.734 -13.891 1.00 4.82 H new ATOM 0 HG23 THR A 93 -4.101 6.217 -12.918 1.00 4.82 H new ATOM 1331 N ILE A 94 -5.945 3.104 -11.742 1.00 2.05 N ATOM 1332 CA ILE A 94 -6.923 2.104 -12.180 1.00 1.71 C ATOM 1333 C ILE A 94 -6.917 1.899 -13.716 1.00 1.50 C ATOM 1334 O ILE A 94 -7.335 2.791 -14.452 1.00 1.82 O ATOM 1335 CB ILE A 94 -8.296 2.477 -11.543 1.00 2.31 C ATOM 1336 CG1 ILE A 94 -9.279 1.292 -11.463 1.00 3.16 C ATOM 1337 CG2 ILE A 94 -8.979 3.736 -12.091 1.00 3.60 C ATOM 1338 CD1 ILE A 94 -9.805 0.762 -12.796 1.00 4.57 C ATOM 0 H ILE A 94 -6.373 3.870 -11.221 1.00 2.05 H new ATOM 0 HA ILE A 94 -6.659 1.109 -11.822 1.00 1.71 H new ATOM 0 HB ILE A 94 -8.008 2.743 -10.526 1.00 2.31 H new ATOM 0 HG12 ILE A 94 -8.787 0.473 -10.939 1.00 3.16 H new ATOM 0 HG13 ILE A 94 -10.131 1.594 -10.854 1.00 3.16 H new ATOM 0 HG21 ILE A 94 -9.924 3.892 -11.572 1.00 3.60 H new ATOM 0 HG22 ILE A 94 -8.332 4.599 -11.934 1.00 3.60 H new ATOM 0 HG23 ILE A 94 -9.167 3.613 -13.158 1.00 3.60 H new ATOM 0 HD11 ILE A 94 -10.486 -0.069 -12.614 1.00 4.57 H new ATOM 0 HD12 ILE A 94 -10.335 1.557 -13.320 1.00 4.57 H new ATOM 0 HD13 ILE A 94 -8.970 0.419 -13.406 1.00 4.57 H new ATOM 1350 N PRO A 95 -6.513 0.719 -14.241 1.00 1.81 N ATOM 1351 CA PRO A 95 -6.559 0.454 -15.675 1.00 2.52 C ATOM 1352 C PRO A 95 -8.002 0.136 -16.103 1.00 2.42 C ATOM 1353 O PRO A 95 -8.416 -1.019 -16.133 1.00 2.80 O ATOM 1354 CB PRO A 95 -5.559 -0.682 -15.911 1.00 3.42 C ATOM 1355 CG PRO A 95 -5.600 -1.469 -14.601 1.00 3.14 C ATOM 1356 CD PRO A 95 -5.893 -0.402 -13.543 1.00 2.23 C ATOM 0 HA PRO A 95 -6.276 1.309 -16.289 1.00 2.52 H new ATOM 0 HB2 PRO A 95 -5.847 -1.301 -16.761 1.00 3.42 H new ATOM 0 HB3 PRO A 95 -4.559 -0.300 -16.119 1.00 3.42 H new ATOM 0 HG2 PRO A 95 -6.373 -2.237 -14.620 1.00 3.14 H new ATOM 0 HG3 PRO A 95 -4.654 -1.974 -14.408 1.00 3.14 H new ATOM 0 HD2 PRO A 95 -6.557 -0.793 -12.772 1.00 2.23 H new ATOM 0 HD3 PRO A 95 -4.976 -0.088 -13.045 1.00 2.23 H new ATOM 1364 N ALA A 96 -8.755 1.201 -16.399 1.00 2.52 N ATOM 1365 CA ALA A 96 -10.087 1.261 -17.024 1.00 2.88 C ATOM 1366 C ALA A 96 -11.043 0.071 -16.767 1.00 2.82 C ATOM 1367 O ALA A 96 -11.401 -0.673 -17.681 1.00 3.83 O ATOM 1368 CB ALA A 96 -9.899 1.602 -18.512 1.00 3.55 C ATOM 0 H ALA A 96 -8.415 2.139 -16.186 1.00 2.52 H new ATOM 0 HA ALA A 96 -10.638 2.053 -16.516 1.00 2.88 H new ATOM 0 HB1 ALA A 96 -10.873 1.653 -19.000 1.00 3.55 H new ATOM 0 HB2 ALA A 96 -9.397 2.565 -18.604 1.00 3.55 H new ATOM 0 HB3 ALA A 96 -9.294 0.830 -18.989 1.00 3.55 H new ATOM 1374 N ARG A 97 -11.443 -0.086 -15.495 1.00 2.25 N ATOM 1375 CA ARG A 97 -12.282 -1.171 -14.930 1.00 2.14 C ATOM 1376 C ARG A 97 -11.412 -2.397 -14.558 1.00 2.14 C ATOM 1377 O ARG A 97 -11.789 -3.548 -14.770 1.00 2.66 O ATOM 1378 CB ARG A 97 -13.486 -1.539 -15.834 1.00 2.06 C ATOM 1379 CG ARG A 97 -14.602 -2.308 -15.092 1.00 2.20 C ATOM 1380 CD ARG A 97 -15.464 -3.130 -16.064 1.00 2.52 C ATOM 1381 NE ARG A 97 -16.180 -4.208 -15.357 1.00 3.05 N ATOM 1382 CZ ARG A 97 -16.689 -5.307 -15.899 1.00 3.56 C ATOM 1383 NH1 ARG A 97 -16.732 -5.503 -17.203 1.00 3.79 N ATOM 1384 NH2 ARG A 97 -17.156 -6.235 -15.093 1.00 4.54 N ATOM 0 H ARG A 97 -11.173 0.587 -14.778 1.00 2.25 H new ATOM 0 HA ARG A 97 -12.728 -0.793 -14.010 1.00 2.14 H new ATOM 0 HB2 ARG A 97 -13.905 -0.626 -16.257 1.00 2.06 H new ATOM 0 HB3 ARG A 97 -13.132 -2.144 -16.669 1.00 2.06 H new ATOM 0 HG2 ARG A 97 -14.157 -2.971 -14.350 1.00 2.20 H new ATOM 0 HG3 ARG A 97 -15.234 -1.603 -14.552 1.00 2.20 H new ATOM 0 HD2 ARG A 97 -16.182 -2.477 -16.560 1.00 2.52 H new ATOM 0 HD3 ARG A 97 -14.832 -3.558 -16.842 1.00 2.52 H new ATOM 0 HE ARG A 97 -16.296 -4.098 -14.350 1.00 3.05 H new ATOM 0 HH11 ARG A 97 -16.365 -4.794 -17.838 1.00 3.79 H new ATOM 0 HH12 ARG A 97 -17.133 -6.364 -17.576 1.00 3.79 H new ATOM 0 HH21 ARG A 97 -17.120 -6.098 -14.083 1.00 4.54 H new ATOM 0 HH22 ARG A 97 -17.554 -7.092 -15.478 1.00 4.54 H new ATOM 1398 N GLY A 98 -10.210 -2.138 -14.029 1.00 1.91 N ATOM 1399 CA GLY A 98 -9.280 -3.141 -13.507 1.00 1.95 C ATOM 1400 C GLY A 98 -9.514 -3.371 -12.019 1.00 1.68 C ATOM 1401 O GLY A 98 -10.607 -3.746 -11.611 1.00 2.46 O ATOM 0 H GLY A 98 -9.847 -1.188 -13.951 1.00 1.91 H new ATOM 0 HA2 GLY A 98 -9.406 -4.078 -14.049 1.00 1.95 H new ATOM 0 HA3 GLY A 98 -8.254 -2.813 -13.672 1.00 1.95 H new ATOM 1405 N THR A 99 -8.483 -3.164 -11.197 1.00 1.85 N ATOM 1406 CA THR A 99 -8.512 -3.526 -9.774 1.00 1.91 C ATOM 1407 C THR A 99 -7.359 -2.853 -9.048 1.00 1.61 C ATOM 1408 O THR A 99 -6.201 -3.057 -9.376 1.00 2.56 O ATOM 1409 CB THR A 99 -8.502 -5.067 -9.636 1.00 3.25 C ATOM 1410 OG1 THR A 99 -8.352 -5.440 -8.295 1.00 4.46 O ATOM 1411 CG2 THR A 99 -7.406 -5.793 -10.425 1.00 5.03 C ATOM 0 H THR A 99 -7.604 -2.741 -11.496 1.00 1.85 H new ATOM 0 HA THR A 99 -9.428 -3.168 -9.305 1.00 1.91 H new ATOM 0 HB THR A 99 -9.463 -5.369 -10.053 1.00 3.25 H new ATOM 0 HG1 THR A 99 -8.349 -6.418 -8.226 1.00 4.46 H new ATOM 0 HG21 THR A 99 -7.489 -6.867 -10.259 1.00 5.03 H new ATOM 0 HG22 THR A 99 -7.521 -5.580 -11.488 1.00 5.03 H new ATOM 0 HG23 THR A 99 -6.428 -5.448 -10.090 1.00 5.03 H new ATOM 1419 N LEU A 100 -7.686 -1.994 -8.092 1.00 1.38 N ATOM 1420 CA LEU A 100 -6.800 -1.393 -7.084 1.00 1.91 C ATOM 1421 C LEU A 100 -7.117 -2.008 -5.699 1.00 1.82 C ATOM 1422 O LEU A 100 -7.792 -1.390 -4.871 1.00 1.89 O ATOM 1423 CB LEU A 100 -6.903 0.162 -7.143 1.00 2.68 C ATOM 1424 CG LEU A 100 -8.037 0.820 -7.979 1.00 4.42 C ATOM 1425 CD1 LEU A 100 -9.464 0.292 -7.716 1.00 6.35 C ATOM 1426 CD2 LEU A 100 -8.034 2.342 -7.778 1.00 5.44 C ATOM 0 H LEU A 100 -8.647 -1.670 -7.986 1.00 1.38 H new ATOM 0 HA LEU A 100 -5.754 -1.622 -7.289 1.00 1.91 H new ATOM 0 HB2 LEU A 100 -7.000 0.523 -6.119 1.00 2.68 H new ATOM 0 HB3 LEU A 100 -5.954 0.539 -7.525 1.00 2.68 H new ATOM 0 HG LEU A 100 -7.801 0.543 -9.006 1.00 4.42 H new ATOM 0 HD11 LEU A 100 -10.171 0.822 -8.354 1.00 6.35 H new ATOM 0 HD12 LEU A 100 -9.504 -0.774 -7.938 1.00 6.35 H new ATOM 0 HD13 LEU A 100 -9.725 0.455 -6.670 1.00 6.35 H new ATOM 0 HD21 LEU A 100 -8.833 2.789 -8.369 1.00 5.44 H new ATOM 0 HD22 LEU A 100 -8.192 2.570 -6.724 1.00 5.44 H new ATOM 0 HD23 LEU A 100 -7.075 2.749 -8.098 1.00 5.44 H new ATOM 1438 N THR A 101 -6.674 -3.258 -5.484 1.00 1.82 N ATOM 1439 CA THR A 101 -7.169 -4.167 -4.427 1.00 2.07 C ATOM 1440 C THR A 101 -6.006 -4.939 -3.794 1.00 1.95 C ATOM 1441 O THR A 101 -5.704 -6.063 -4.193 1.00 2.79 O ATOM 1442 CB THR A 101 -8.188 -5.146 -5.028 1.00 2.89 C ATOM 1443 OG1 THR A 101 -9.122 -4.470 -5.829 1.00 3.58 O ATOM 1444 CG2 THR A 101 -8.978 -5.885 -3.950 1.00 3.73 C ATOM 0 H THR A 101 -5.941 -3.679 -6.055 1.00 1.82 H new ATOM 0 HA THR A 101 -7.652 -3.575 -3.649 1.00 2.07 H new ATOM 0 HB THR A 101 -7.608 -5.856 -5.617 1.00 2.89 H new ATOM 0 HG1 THR A 101 -8.981 -4.710 -6.769 1.00 3.58 H new ATOM 0 HG21 THR A 101 -9.687 -6.566 -4.421 1.00 3.73 H new ATOM 0 HG22 THR A 101 -8.292 -6.452 -3.321 1.00 3.73 H new ATOM 0 HG23 THR A 101 -9.520 -5.164 -3.338 1.00 3.73 H new ATOM 1452 N LEU A 102 -5.349 -4.333 -2.807 1.00 1.53 N ATOM 1453 CA LEU A 102 -4.065 -4.759 -2.264 1.00 1.54 C ATOM 1454 C LEU A 102 -4.296 -5.589 -0.999 1.00 1.38 C ATOM 1455 O LEU A 102 -4.871 -5.102 -0.020 1.00 1.64 O ATOM 1456 CB LEU A 102 -3.183 -3.545 -1.938 1.00 2.04 C ATOM 1457 CG LEU A 102 -2.820 -2.598 -3.108 1.00 2.77 C ATOM 1458 CD1 LEU A 102 -3.900 -1.547 -3.425 1.00 4.33 C ATOM 1459 CD2 LEU A 102 -1.525 -1.841 -2.769 1.00 3.26 C ATOM 0 H LEU A 102 -5.713 -3.499 -2.347 1.00 1.53 H new ATOM 0 HA LEU A 102 -3.552 -5.365 -3.011 1.00 1.54 H new ATOM 0 HB2 LEU A 102 -3.688 -2.957 -1.172 1.00 2.04 H new ATOM 0 HB3 LEU A 102 -2.255 -3.910 -1.499 1.00 2.04 H new ATOM 0 HG LEU A 102 -2.714 -3.238 -3.984 1.00 2.77 H new ATOM 0 HD11 LEU A 102 -3.569 -0.924 -4.256 1.00 4.33 H new ATOM 0 HD12 LEU A 102 -4.828 -2.050 -3.696 1.00 4.33 H new ATOM 0 HD13 LEU A 102 -4.068 -0.922 -2.548 1.00 4.33 H new ATOM 0 HD21 LEU A 102 -1.268 -1.174 -3.592 1.00 3.26 H new ATOM 0 HD22 LEU A 102 -1.672 -1.257 -1.860 1.00 3.26 H new ATOM 0 HD23 LEU A 102 -0.716 -2.555 -2.614 1.00 3.26 H new ATOM 1471 N GLN A 103 -3.848 -6.845 -1.025 1.00 1.11 N ATOM 1472 CA GLN A 103 -4.034 -7.808 0.059 1.00 1.14 C ATOM 1473 C GLN A 103 -2.790 -8.696 0.229 1.00 1.07 C ATOM 1474 O GLN A 103 -2.199 -9.111 -0.769 1.00 1.14 O ATOM 1475 CB GLN A 103 -5.193 -8.761 -0.268 1.00 1.53 C ATOM 1476 CG GLN A 103 -6.549 -8.116 -0.618 1.00 1.97 C ATOM 1477 CD GLN A 103 -7.239 -8.980 -1.654 1.00 3.27 C ATOM 1478 OE1 GLN A 103 -8.029 -9.865 -1.323 1.00 4.09 O ATOM 1479 NE2 GLN A 103 -6.871 -8.814 -2.913 1.00 4.24 N ATOM 0 H GLN A 103 -3.334 -7.229 -1.818 1.00 1.11 H new ATOM 0 HA GLN A 103 -4.228 -7.231 0.963 1.00 1.14 H new ATOM 0 HB2 GLN A 103 -4.890 -9.389 -1.106 1.00 1.53 H new ATOM 0 HB3 GLN A 103 -5.342 -9.420 0.587 1.00 1.53 H new ATOM 0 HG2 GLN A 103 -7.168 -8.028 0.275 1.00 1.97 H new ATOM 0 HG3 GLN A 103 -6.400 -7.107 -1.004 1.00 1.97 H new ATOM 0 HE21 GLN A 103 -6.215 -8.073 -3.159 1.00 4.24 H new ATOM 0 HE22 GLN A 103 -7.243 -9.427 -3.638 1.00 4.24 H new ATOM 1488 N ARG A 104 -2.487 -9.134 1.461 1.00 1.22 N ATOM 1489 CA ARG A 104 -1.405 -10.105 1.749 1.00 1.55 C ATOM 1490 C ARG A 104 -1.464 -11.411 0.931 1.00 1.86 C ATOM 1491 O ARG A 104 -0.503 -12.179 0.929 1.00 2.32 O ATOM 1492 CB ARG A 104 -1.372 -10.406 3.264 1.00 1.74 C ATOM 1493 CG ARG A 104 -2.529 -11.298 3.769 1.00 2.48 C ATOM 1494 CD ARG A 104 -2.156 -12.789 3.864 1.00 2.89 C ATOM 1495 NE ARG A 104 -3.352 -13.649 3.955 1.00 3.84 N ATOM 1496 CZ ARG A 104 -3.674 -14.509 4.920 1.00 4.37 C ATOM 1497 NH1 ARG A 104 -2.923 -14.730 5.985 1.00 4.16 N ATOM 1498 NH2 ARG A 104 -4.764 -15.233 4.775 1.00 5.70 N ATOM 0 H ARG A 104 -2.986 -8.826 2.295 1.00 1.22 H new ATOM 0 HA ARG A 104 -0.479 -9.626 1.432 1.00 1.55 H new ATOM 0 HB2 ARG A 104 -0.426 -10.891 3.504 1.00 1.74 H new ATOM 0 HB3 ARG A 104 -1.394 -9.462 3.809 1.00 1.74 H new ATOM 0 HG2 ARG A 104 -2.846 -10.947 4.751 1.00 2.48 H new ATOM 0 HG3 ARG A 104 -3.382 -11.187 3.100 1.00 2.48 H new ATOM 0 HD2 ARG A 104 -1.570 -13.073 2.990 1.00 2.89 H new ATOM 0 HD3 ARG A 104 -1.525 -12.951 4.738 1.00 2.89 H new ATOM 0 HE ARG A 104 -4.014 -13.576 3.183 1.00 3.84 H new ATOM 0 HH11 ARG A 104 -2.042 -14.228 6.101 1.00 4.16 H new ATOM 0 HH12 ARG A 104 -3.224 -15.402 6.691 1.00 4.16 H new ATOM 0 HH21 ARG A 104 -5.339 -15.128 3.939 1.00 5.70 H new ATOM 0 HH22 ARG A 104 -5.034 -15.899 5.499 1.00 5.70 H new ATOM 1512 N ASP A 105 -2.597 -11.687 0.284 1.00 1.86 N ATOM 1513 CA ASP A 105 -2.888 -12.839 -0.569 1.00 2.26 C ATOM 1514 C ASP A 105 -2.144 -12.797 -1.916 1.00 2.06 C ATOM 1515 O ASP A 105 -1.929 -13.846 -2.524 1.00 2.41 O ATOM 1516 CB ASP A 105 -4.402 -12.872 -0.853 1.00 2.56 C ATOM 1517 CG ASP A 105 -5.326 -13.144 0.340 1.00 3.03 C ATOM 1518 OD1 ASP A 105 -4.927 -13.005 1.527 1.00 3.98 O ATOM 1519 OD2 ASP A 105 -6.508 -13.457 0.098 1.00 3.29 O ATOM 0 H ASP A 105 -3.399 -11.060 0.348 1.00 1.86 H new ATOM 0 HA ASP A 105 -2.551 -13.728 -0.036 1.00 2.26 H new ATOM 0 HB2 ASP A 105 -4.686 -11.915 -1.291 1.00 2.56 H new ATOM 0 HB3 ASP A 105 -4.589 -13.636 -1.608 1.00 2.56 H new ATOM 1524 N GLY A 106 -1.766 -11.604 -2.407 1.00 1.71 N ATOM 1525 CA GLY A 106 -1.076 -11.462 -3.697 1.00 1.69 C ATOM 1526 C GLY A 106 -0.685 -10.058 -4.160 1.00 1.79 C ATOM 1527 O GLY A 106 -0.204 -9.963 -5.279 1.00 2.44 O ATOM 0 H GLY A 106 -1.929 -10.720 -1.925 1.00 1.71 H new ATOM 0 HA2 GLY A 106 -0.168 -12.063 -3.656 1.00 1.69 H new ATOM 0 HA3 GLY A 106 -1.714 -11.900 -4.465 1.00 1.69 H new ATOM 1531 N ASP A 107 -0.879 -9.001 -3.368 1.00 1.79 N ATOM 1532 CA ASP A 107 -0.503 -7.610 -3.689 1.00 2.45 C ATOM 1533 C ASP A 107 -0.312 -6.850 -2.369 1.00 1.68 C ATOM 1534 O ASP A 107 -1.286 -6.561 -1.685 1.00 1.68 O ATOM 1535 CB ASP A 107 -1.595 -6.967 -4.578 1.00 3.75 C ATOM 1536 CG ASP A 107 -1.387 -5.474 -4.900 1.00 5.23 C ATOM 1537 OD1 ASP A 107 -0.586 -4.804 -4.210 1.00 5.81 O ATOM 1538 OD2 ASP A 107 -2.076 -4.971 -5.816 1.00 6.35 O ATOM 0 H ASP A 107 -1.318 -9.087 -2.451 1.00 1.79 H new ATOM 0 HA ASP A 107 0.430 -7.574 -4.251 1.00 2.45 H new ATOM 0 HB2 ASP A 107 -1.649 -7.520 -5.516 1.00 3.75 H new ATOM 0 HB3 ASP A 107 -2.559 -7.084 -4.083 1.00 3.75 H new ATOM 1543 N HIS A 108 0.918 -6.546 -1.958 1.00 1.44 N ATOM 1544 CA HIS A 108 1.158 -5.967 -0.641 1.00 1.00 C ATOM 1545 C HIS A 108 2.513 -5.254 -0.537 1.00 0.93 C ATOM 1546 O HIS A 108 3.543 -5.729 -1.024 1.00 1.09 O ATOM 1547 CB HIS A 108 0.948 -7.022 0.471 1.00 1.18 C ATOM 1548 CG HIS A 108 1.873 -8.218 0.434 1.00 1.80 C ATOM 1549 ND1 HIS A 108 2.808 -8.548 1.390 1.00 2.10 N ATOM 1550 CD2 HIS A 108 1.888 -9.228 -0.494 1.00 3.28 C ATOM 1551 CE1 HIS A 108 3.378 -9.711 1.037 1.00 2.73 C ATOM 1552 NE2 HIS A 108 2.848 -10.177 -0.106 1.00 3.64 N ATOM 0 H HIS A 108 1.759 -6.691 -2.516 1.00 1.44 H new ATOM 0 HA HIS A 108 0.415 -5.184 -0.492 1.00 1.00 H new ATOM 0 HB2 HIS A 108 1.061 -6.530 1.437 1.00 1.18 H new ATOM 0 HB3 HIS A 108 -0.080 -7.381 0.414 1.00 1.18 H new ATOM 0 HD2 HIS A 108 1.266 -9.284 -1.375 1.00 3.28 H new ATOM 0 HE1 HIS A 108 4.158 -10.206 1.597 1.00 2.73 H new ATOM 0 HE2 HIS A 108 3.092 -11.040 -0.591 1.00 3.64 H new ATOM 1560 N VAL A 109 2.509 -4.099 0.129 1.00 0.88 N ATOM 1561 CA VAL A 109 3.723 -3.344 0.441 1.00 0.87 C ATOM 1562 C VAL A 109 4.179 -3.703 1.859 1.00 0.85 C ATOM 1563 O VAL A 109 3.351 -3.972 2.735 1.00 0.91 O ATOM 1564 CB VAL A 109 3.559 -1.824 0.209 1.00 0.96 C ATOM 1565 CG1 VAL A 109 3.109 -1.551 -1.237 1.00 2.44 C ATOM 1566 CG2 VAL A 109 2.578 -1.166 1.187 1.00 2.10 C ATOM 0 H VAL A 109 1.655 -3.657 0.470 1.00 0.88 H new ATOM 0 HA VAL A 109 4.512 -3.632 -0.254 1.00 0.87 H new ATOM 0 HB VAL A 109 4.537 -1.378 0.389 1.00 0.96 H new ATOM 0 HG11 VAL A 109 2.997 -0.477 -1.387 1.00 2.44 H new ATOM 0 HG12 VAL A 109 3.856 -1.938 -1.930 1.00 2.44 H new ATOM 0 HG13 VAL A 109 2.154 -2.044 -1.420 1.00 2.44 H new ATOM 0 HG21 VAL A 109 2.508 -0.100 0.971 1.00 2.10 H new ATOM 0 HG22 VAL A 109 1.594 -1.623 1.079 1.00 2.10 H new ATOM 0 HG23 VAL A 109 2.933 -1.306 2.208 1.00 2.10 H new ATOM 1576 N MET A 110 5.495 -3.746 2.063 1.00 0.95 N ATOM 1577 CA MET A 110 6.136 -4.200 3.296 1.00 0.95 C ATOM 1578 C MET A 110 7.134 -3.157 3.785 1.00 0.89 C ATOM 1579 O MET A 110 8.095 -2.797 3.106 1.00 0.94 O ATOM 1580 CB MET A 110 6.816 -5.560 3.065 1.00 1.15 C ATOM 1581 CG MET A 110 7.039 -6.308 4.384 1.00 1.49 C ATOM 1582 SD MET A 110 5.511 -6.991 5.076 1.00 2.28 S ATOM 1583 CE MET A 110 6.158 -7.636 6.632 1.00 2.53 C ATOM 0 H MET A 110 6.166 -3.456 1.351 1.00 0.95 H new ATOM 0 HA MET A 110 5.379 -4.327 4.070 1.00 0.95 H new ATOM 0 HB2 MET A 110 6.201 -6.167 2.401 1.00 1.15 H new ATOM 0 HB3 MET A 110 7.773 -5.409 2.565 1.00 1.15 H new ATOM 0 HG2 MET A 110 7.751 -7.117 4.221 1.00 1.49 H new ATOM 0 HG3 MET A 110 7.488 -5.629 5.109 1.00 1.49 H new ATOM 0 HE1 MET A 110 5.386 -8.221 7.133 1.00 2.53 H new ATOM 0 HE2 MET A 110 7.021 -8.271 6.432 1.00 2.53 H new ATOM 0 HE3 MET A 110 6.458 -6.807 7.273 1.00 2.53 H new ATOM 1593 N LEU A 111 6.885 -2.650 4.984 1.00 0.92 N ATOM 1594 CA LEU A 111 7.657 -1.605 5.630 1.00 0.90 C ATOM 1595 C LEU A 111 8.781 -2.293 6.405 1.00 0.93 C ATOM 1596 O LEU A 111 8.554 -2.766 7.515 1.00 1.02 O ATOM 1597 CB LEU A 111 6.715 -0.813 6.554 1.00 0.88 C ATOM 1598 CG LEU A 111 5.643 0.084 5.897 1.00 1.08 C ATOM 1599 CD1 LEU A 111 4.557 -0.660 5.100 1.00 2.22 C ATOM 1600 CD2 LEU A 111 4.946 0.897 6.998 1.00 1.95 C ATOM 0 H LEU A 111 6.104 -2.972 5.556 1.00 0.92 H new ATOM 0 HA LEU A 111 8.095 -0.903 4.921 1.00 0.90 H new ATOM 0 HB2 LEU A 111 6.204 -1.526 7.201 1.00 0.88 H new ATOM 0 HB3 LEU A 111 7.329 -0.183 7.197 1.00 0.88 H new ATOM 0 HG LEU A 111 6.180 0.701 5.177 1.00 1.08 H new ATOM 0 HD11 LEU A 111 3.855 0.061 4.681 1.00 2.22 H new ATOM 0 HD12 LEU A 111 5.022 -1.226 4.293 1.00 2.22 H new ATOM 0 HD13 LEU A 111 4.024 -1.343 5.761 1.00 2.22 H new ATOM 0 HD21 LEU A 111 4.185 1.537 6.551 1.00 1.95 H new ATOM 0 HD22 LEU A 111 4.477 0.218 7.710 1.00 1.95 H new ATOM 0 HD23 LEU A 111 5.681 1.514 7.515 1.00 1.95 H new ATOM 1612 N MET A 112 9.965 -2.395 5.800 1.00 1.03 N ATOM 1613 CA MET A 112 11.133 -3.090 6.359 1.00 1.14 C ATOM 1614 C MET A 112 11.993 -2.127 7.184 1.00 1.08 C ATOM 1615 O MET A 112 12.437 -1.071 6.708 1.00 1.11 O ATOM 1616 CB MET A 112 11.942 -3.737 5.223 1.00 1.40 C ATOM 1617 CG MET A 112 13.065 -4.648 5.732 1.00 1.68 C ATOM 1618 SD MET A 112 14.145 -5.339 4.449 1.00 2.30 S ATOM 1619 CE MET A 112 12.998 -6.516 3.692 1.00 3.46 C ATOM 0 H MET A 112 10.146 -1.987 4.883 1.00 1.03 H new ATOM 0 HA MET A 112 10.794 -3.878 7.032 1.00 1.14 H new ATOM 0 HB2 MET A 112 11.270 -4.317 4.590 1.00 1.40 H new ATOM 0 HB3 MET A 112 12.372 -2.954 4.598 1.00 1.40 H new ATOM 0 HG2 MET A 112 13.678 -4.083 6.434 1.00 1.68 H new ATOM 0 HG3 MET A 112 12.618 -5.471 6.289 1.00 1.68 H new ATOM 0 HE1 MET A 112 13.522 -7.099 2.935 1.00 3.46 H new ATOM 0 HE2 MET A 112 12.605 -7.185 4.458 1.00 3.46 H new ATOM 0 HE3 MET A 112 12.175 -5.974 3.227 1.00 3.46 H new ATOM 1629 N GLY A 113 12.244 -2.464 8.453 1.00 1.11 N ATOM 1630 CA GLY A 113 13.064 -1.644 9.352 1.00 1.17 C ATOM 1631 C GLY A 113 12.338 -0.381 9.831 1.00 1.27 C ATOM 1632 O GLY A 113 12.874 0.722 9.700 1.00 1.63 O ATOM 0 H GLY A 113 11.884 -3.314 8.887 1.00 1.11 H new ATOM 0 HA2 GLY A 113 13.355 -2.241 10.217 1.00 1.17 H new ATOM 0 HA3 GLY A 113 13.982 -1.358 8.839 1.00 1.17 H new ATOM 1636 N LEU A 114 11.119 -0.521 10.352 1.00 1.16 N ATOM 1637 CA LEU A 114 10.384 0.568 10.999 1.00 1.29 C ATOM 1638 C LEU A 114 11.034 0.974 12.339 1.00 1.27 C ATOM 1639 O LEU A 114 12.051 0.418 12.751 1.00 2.09 O ATOM 1640 CB LEU A 114 8.894 0.166 11.091 1.00 1.74 C ATOM 1641 CG LEU A 114 7.914 1.239 10.561 1.00 2.52 C ATOM 1642 CD1 LEU A 114 6.553 0.585 10.287 1.00 2.89 C ATOM 1643 CD2 LEU A 114 7.698 2.410 11.528 1.00 3.72 C ATOM 0 H LEU A 114 10.608 -1.403 10.337 1.00 1.16 H new ATOM 0 HA LEU A 114 10.434 1.478 10.402 1.00 1.29 H new ATOM 0 HB2 LEU A 114 8.743 -0.757 10.530 1.00 1.74 H new ATOM 0 HB3 LEU A 114 8.651 -0.050 12.131 1.00 1.74 H new ATOM 0 HG LEU A 114 8.363 1.645 9.655 1.00 2.52 H new ATOM 0 HD11 LEU A 114 5.857 1.336 9.913 1.00 2.89 H new ATOM 0 HD12 LEU A 114 6.671 -0.203 9.543 1.00 2.89 H new ATOM 0 HD13 LEU A 114 6.163 0.157 11.210 1.00 2.89 H new ATOM 0 HD21 LEU A 114 6.999 3.121 11.088 1.00 3.72 H new ATOM 0 HD22 LEU A 114 7.291 2.036 12.467 1.00 3.72 H new ATOM 0 HD23 LEU A 114 8.650 2.906 11.717 1.00 3.72 H new ATOM 1655 N LYS A 115 10.455 1.977 13.003 1.00 1.07 N ATOM 1656 CA LYS A 115 11.060 2.677 14.136 1.00 1.41 C ATOM 1657 C LYS A 115 10.094 2.834 15.319 1.00 1.51 C ATOM 1658 O LYS A 115 10.417 2.394 16.422 1.00 2.12 O ATOM 1659 CB LYS A 115 11.713 3.985 13.631 1.00 1.79 C ATOM 1660 CG LYS A 115 10.790 4.980 12.900 1.00 2.51 C ATOM 1661 CD LYS A 115 11.561 6.141 12.242 1.00 3.04 C ATOM 1662 CE LYS A 115 11.912 5.768 10.795 1.00 3.01 C ATOM 1663 NZ LYS A 115 12.678 6.824 10.083 1.00 3.82 N ATOM 0 H LYS A 115 9.530 2.333 12.761 1.00 1.07 H new ATOM 0 HA LYS A 115 11.860 2.072 14.562 1.00 1.41 H new ATOM 0 HB2 LYS A 115 12.156 4.496 14.485 1.00 1.79 H new ATOM 0 HB3 LYS A 115 12.529 3.721 12.959 1.00 1.79 H new ATOM 0 HG2 LYS A 115 10.223 4.448 12.136 1.00 2.51 H new ATOM 0 HG3 LYS A 115 10.068 5.386 13.608 1.00 2.51 H new ATOM 0 HD2 LYS A 115 10.957 7.048 12.259 1.00 3.04 H new ATOM 0 HD3 LYS A 115 12.470 6.353 12.805 1.00 3.04 H new ATOM 0 HE2 LYS A 115 12.493 4.846 10.796 1.00 3.01 H new ATOM 0 HE3 LYS A 115 10.992 5.564 10.247 1.00 3.01 H new ATOM 0 HZ1 LYS A 115 12.348 6.888 9.099 1.00 3.82 H new ATOM 0 HZ2 LYS A 115 12.532 7.738 10.557 1.00 3.82 H new ATOM 0 HZ3 LYS A 115 13.690 6.586 10.094 1.00 3.82 H new ATOM 1677 N ARG A 116 8.878 3.370 15.108 1.00 1.33 N ATOM 1678 CA ARG A 116 7.790 3.380 16.112 1.00 1.52 C ATOM 1679 C ARG A 116 6.791 2.237 15.838 1.00 1.15 C ATOM 1680 O ARG A 116 6.373 2.128 14.688 1.00 0.98 O ATOM 1681 CB ARG A 116 7.026 4.719 16.091 1.00 2.06 C ATOM 1682 CG ARG A 116 7.921 5.920 16.440 1.00 2.78 C ATOM 1683 CD ARG A 116 7.134 7.242 16.496 1.00 3.04 C ATOM 1684 NE ARG A 116 6.287 7.366 17.699 1.00 3.55 N ATOM 1685 CZ ARG A 116 6.700 7.734 18.910 1.00 4.09 C ATOM 1686 NH1 ARG A 116 7.970 7.893 19.226 1.00 4.59 N ATOM 1687 NH2 ARG A 116 5.819 7.971 19.846 1.00 5.11 N ATOM 0 H ARG A 116 8.617 3.814 14.227 1.00 1.33 H new ATOM 0 HA ARG A 116 8.250 3.244 17.091 1.00 1.52 H new ATOM 0 HB2 ARG A 116 6.593 4.870 15.102 1.00 2.06 H new ATOM 0 HB3 ARG A 116 6.198 4.671 16.798 1.00 2.06 H new ATOM 0 HG2 ARG A 116 8.400 5.745 17.403 1.00 2.78 H new ATOM 0 HG3 ARG A 116 8.716 6.005 15.699 1.00 2.78 H new ATOM 0 HD2 ARG A 116 7.835 8.076 16.466 1.00 3.04 H new ATOM 0 HD3 ARG A 116 6.506 7.321 15.608 1.00 3.04 H new ATOM 0 HE ARG A 116 5.296 7.150 17.593 1.00 3.55 H new ATOM 0 HH11 ARG A 116 8.694 7.732 18.526 1.00 4.59 H new ATOM 0 HH12 ARG A 116 8.229 8.177 20.171 1.00 4.59 H new ATOM 0 HH21 ARG A 116 4.824 7.874 19.646 1.00 5.11 H new ATOM 0 HH22 ARG A 116 6.127 8.253 20.777 1.00 5.11 H new ATOM 1701 N PRO A 117 6.417 1.394 16.818 1.00 1.44 N ATOM 1702 CA PRO A 117 5.391 0.370 16.640 1.00 1.55 C ATOM 1703 C PRO A 117 4.003 0.948 16.956 1.00 1.47 C ATOM 1704 O PRO A 117 3.703 1.259 18.108 1.00 2.36 O ATOM 1705 CB PRO A 117 5.793 -0.750 17.600 1.00 2.34 C ATOM 1706 CG PRO A 117 6.467 -0.009 18.761 1.00 2.61 C ATOM 1707 CD PRO A 117 7.062 1.247 18.117 1.00 2.03 C ATOM 0 HA PRO A 117 5.325 0.001 15.617 1.00 1.55 H new ATOM 0 HB2 PRO A 117 4.926 -1.319 17.937 1.00 2.34 H new ATOM 0 HB3 PRO A 117 6.474 -1.457 17.127 1.00 2.34 H new ATOM 0 HG2 PRO A 117 5.749 0.246 19.540 1.00 2.61 H new ATOM 0 HG3 PRO A 117 7.239 -0.620 19.228 1.00 2.61 H new ATOM 0 HD2 PRO A 117 6.883 2.124 18.740 1.00 2.03 H new ATOM 0 HD3 PRO A 117 8.142 1.150 18.005 1.00 2.03 H new ATOM 1715 N LEU A 118 3.159 1.083 15.926 1.00 1.11 N ATOM 1716 CA LEU A 118 1.841 1.687 15.999 1.00 0.96 C ATOM 1717 C LEU A 118 0.742 0.701 16.452 1.00 1.07 C ATOM 1718 O LEU A 118 0.744 -0.483 16.092 1.00 1.40 O ATOM 1719 CB LEU A 118 1.552 2.217 14.604 1.00 1.06 C ATOM 1720 CG LEU A 118 2.656 3.099 13.989 1.00 1.31 C ATOM 1721 CD1 LEU A 118 3.418 4.042 14.942 1.00 3.35 C ATOM 1722 CD2 LEU A 118 3.590 2.339 13.028 1.00 2.53 C ATOM 0 H LEU A 118 3.393 0.759 14.987 1.00 1.11 H new ATOM 0 HA LEU A 118 1.834 2.475 16.752 1.00 0.96 H new ATOM 0 HB2 LEU A 118 1.376 1.370 13.941 1.00 1.06 H new ATOM 0 HB3 LEU A 118 0.627 2.793 14.637 1.00 1.06 H new ATOM 0 HG LEU A 118 2.069 3.793 13.388 1.00 1.31 H new ATOM 0 HD11 LEU A 118 4.164 4.603 14.379 1.00 3.35 H new ATOM 0 HD12 LEU A 118 2.716 4.736 15.405 1.00 3.35 H new ATOM 0 HD13 LEU A 118 3.913 3.455 15.716 1.00 3.35 H new ATOM 0 HD21 LEU A 118 4.341 3.023 12.634 1.00 2.53 H new ATOM 0 HD22 LEU A 118 4.083 1.529 13.565 1.00 2.53 H new ATOM 0 HD23 LEU A 118 3.007 1.927 12.204 1.00 2.53 H new ATOM 1734 N LYS A 119 -0.240 1.216 17.198 1.00 1.07 N ATOM 1735 CA LYS A 119 -1.387 0.476 17.749 1.00 1.15 C ATOM 1736 C LYS A 119 -2.699 0.783 16.977 1.00 0.91 C ATOM 1737 O LYS A 119 -2.723 1.723 16.190 1.00 0.96 O ATOM 1738 CB LYS A 119 -1.460 0.841 19.247 1.00 1.59 C ATOM 1739 CG LYS A 119 -2.225 -0.173 20.110 1.00 2.75 C ATOM 1740 CD LYS A 119 -2.003 0.094 21.605 1.00 3.19 C ATOM 1741 CE LYS A 119 -2.575 -1.039 22.468 1.00 4.79 C ATOM 1742 NZ LYS A 119 -2.234 -0.852 23.898 1.00 5.23 N ATOM 0 H LYS A 119 -0.261 2.205 17.447 1.00 1.07 H new ATOM 0 HA LYS A 119 -1.257 -0.600 17.635 1.00 1.15 H new ATOM 0 HB2 LYS A 119 -0.446 0.938 19.635 1.00 1.59 H new ATOM 0 HB3 LYS A 119 -1.935 1.817 19.348 1.00 1.59 H new ATOM 0 HG2 LYS A 119 -3.290 -0.119 19.882 1.00 2.75 H new ATOM 0 HG3 LYS A 119 -1.897 -1.183 19.865 1.00 2.75 H new ATOM 0 HD2 LYS A 119 -0.936 0.201 21.802 1.00 3.19 H new ATOM 0 HD3 LYS A 119 -2.474 1.037 21.881 1.00 3.19 H new ATOM 0 HE2 LYS A 119 -3.658 -1.076 22.352 1.00 4.79 H new ATOM 0 HE3 LYS A 119 -2.185 -1.996 22.121 1.00 4.79 H new ATOM 0 HZ1 LYS A 119 -2.634 -1.633 24.455 1.00 5.23 H new ATOM 0 HZ2 LYS A 119 -1.200 -0.841 24.010 1.00 5.23 H new ATOM 0 HZ3 LYS A 119 -2.628 0.050 24.234 1.00 5.23 H new ATOM 1756 N VAL A 120 -3.792 0.058 17.250 1.00 1.04 N ATOM 1757 CA VAL A 120 -5.095 0.095 16.521 1.00 1.17 C ATOM 1758 C VAL A 120 -5.763 1.483 16.349 1.00 1.43 C ATOM 1759 O VAL A 120 -6.738 1.616 15.614 1.00 1.99 O ATOM 1760 CB VAL A 120 -6.093 -0.891 17.185 1.00 1.34 C ATOM 1761 CG1 VAL A 120 -6.689 -0.334 18.493 1.00 2.04 C ATOM 1762 CG2 VAL A 120 -7.223 -1.372 16.256 1.00 2.17 C ATOM 0 H VAL A 120 -3.806 -0.608 18.022 1.00 1.04 H new ATOM 0 HA VAL A 120 -4.840 -0.203 15.504 1.00 1.17 H new ATOM 0 HB VAL A 120 -5.484 -1.764 17.418 1.00 1.34 H new ATOM 0 HG11 VAL A 120 -7.380 -1.062 18.917 1.00 2.04 H new ATOM 0 HG12 VAL A 120 -5.886 -0.139 19.204 1.00 2.04 H new ATOM 0 HG13 VAL A 120 -7.222 0.593 18.284 1.00 2.04 H new ATOM 0 HG21 VAL A 120 -7.874 -2.057 16.799 1.00 2.17 H new ATOM 0 HG22 VAL A 120 -7.803 -0.515 15.914 1.00 2.17 H new ATOM 0 HG23 VAL A 120 -6.793 -1.885 15.396 1.00 2.17 H new ATOM 1772 N GLY A 121 -5.256 2.498 17.057 1.00 1.47 N ATOM 1773 CA GLY A 121 -5.754 3.880 17.067 1.00 1.95 C ATOM 1774 C GLY A 121 -4.691 4.961 16.829 1.00 2.00 C ATOM 1775 O GLY A 121 -5.007 6.136 17.030 1.00 2.29 O ATOM 0 H GLY A 121 -4.449 2.373 17.668 1.00 1.47 H new ATOM 0 HA2 GLY A 121 -6.525 3.977 16.302 1.00 1.95 H new ATOM 0 HA3 GLY A 121 -6.233 4.069 18.028 1.00 1.95 H new ATOM 1779 N GLU A 122 -3.450 4.613 16.452 1.00 1.82 N ATOM 1780 CA GLU A 122 -2.416 5.583 16.095 1.00 1.73 C ATOM 1781 C GLU A 122 -2.412 5.811 14.570 1.00 1.59 C ATOM 1782 O GLU A 122 -2.638 4.886 13.777 1.00 1.68 O ATOM 1783 CB GLU A 122 -1.058 5.137 16.677 1.00 1.74 C ATOM 1784 CG GLU A 122 0.011 6.238 16.555 1.00 1.65 C ATOM 1785 CD GLU A 122 1.184 6.132 17.544 1.00 1.88 C ATOM 1786 OE1 GLU A 122 1.371 5.061 18.165 1.00 2.51 O ATOM 1787 OE2 GLU A 122 1.906 7.142 17.722 1.00 2.45 O ATOM 0 H GLU A 122 -3.140 3.644 16.388 1.00 1.82 H new ATOM 0 HA GLU A 122 -2.628 6.555 16.539 1.00 1.73 H new ATOM 0 HB2 GLU A 122 -1.184 4.868 17.726 1.00 1.74 H new ATOM 0 HB3 GLU A 122 -0.717 4.242 16.157 1.00 1.74 H new ATOM 0 HG2 GLU A 122 0.410 6.222 15.541 1.00 1.65 H new ATOM 0 HG3 GLU A 122 -0.471 7.206 16.692 1.00 1.65 H new ATOM 1794 N THR A 123 -2.183 7.065 14.165 1.00 1.53 N ATOM 1795 CA THR A 123 -2.063 7.467 12.757 1.00 1.58 C ATOM 1796 C THR A 123 -0.610 7.371 12.304 1.00 1.33 C ATOM 1797 O THR A 123 0.315 7.305 13.114 1.00 1.50 O ATOM 1798 CB THR A 123 -2.659 8.862 12.496 1.00 1.95 C ATOM 1799 OG1 THR A 123 -2.233 9.809 13.451 1.00 3.05 O ATOM 1800 CG2 THR A 123 -4.185 8.817 12.536 1.00 2.96 C ATOM 0 H THR A 123 -2.074 7.843 14.816 1.00 1.53 H new ATOM 0 HA THR A 123 -2.653 6.773 12.158 1.00 1.58 H new ATOM 0 HB THR A 123 -2.308 9.161 11.508 1.00 1.95 H new ATOM 0 HG1 THR A 123 -2.632 10.681 13.248 1.00 3.05 H new ATOM 0 HG21 THR A 123 -4.583 9.814 12.349 1.00 2.96 H new ATOM 0 HG22 THR A 123 -4.549 8.131 11.771 1.00 2.96 H new ATOM 0 HG23 THR A 123 -4.513 8.473 13.517 1.00 2.96 H new ATOM 1808 N VAL A 124 -0.398 7.363 10.990 1.00 1.06 N ATOM 1809 CA VAL A 124 0.931 7.233 10.381 1.00 0.93 C ATOM 1810 C VAL A 124 1.065 8.122 9.145 1.00 0.82 C ATOM 1811 O VAL A 124 0.128 8.293 8.363 1.00 0.84 O ATOM 1812 CB VAL A 124 1.270 5.750 10.091 1.00 1.13 C ATOM 1813 CG1 VAL A 124 0.428 5.156 8.953 1.00 1.90 C ATOM 1814 CG2 VAL A 124 2.766 5.544 9.790 1.00 2.43 C ATOM 0 H VAL A 124 -1.151 7.447 10.307 1.00 1.06 H new ATOM 0 HA VAL A 124 1.671 7.588 11.099 1.00 0.93 H new ATOM 0 HB VAL A 124 1.020 5.216 11.008 1.00 1.13 H new ATOM 0 HG11 VAL A 124 0.711 4.115 8.796 1.00 1.90 H new ATOM 0 HG12 VAL A 124 -0.628 5.209 9.216 1.00 1.90 H new ATOM 0 HG13 VAL A 124 0.603 5.721 8.038 1.00 1.90 H new ATOM 0 HG21 VAL A 124 2.956 4.489 9.593 1.00 2.43 H new ATOM 0 HG22 VAL A 124 3.046 6.132 8.916 1.00 2.43 H new ATOM 0 HG23 VAL A 124 3.357 5.865 10.648 1.00 2.43 H new ATOM 1824 N ASN A 125 2.241 8.726 8.999 1.00 0.90 N ATOM 1825 CA ASN A 125 2.593 9.534 7.839 1.00 0.92 C ATOM 1826 C ASN A 125 2.900 8.608 6.647 1.00 0.86 C ATOM 1827 O ASN A 125 3.713 7.685 6.758 1.00 0.93 O ATOM 1828 CB ASN A 125 3.787 10.439 8.202 1.00 1.10 C ATOM 1829 CG ASN A 125 3.569 11.440 9.342 1.00 1.41 C ATOM 1830 OD1 ASN A 125 4.496 12.121 9.750 1.00 2.41 O ATOM 1831 ND2 ASN A 125 2.384 11.573 9.906 1.00 1.38 N ATOM 0 H ASN A 125 2.985 8.666 9.694 1.00 0.90 H new ATOM 0 HA ASN A 125 1.764 10.178 7.547 1.00 0.92 H new ATOM 0 HB2 ASN A 125 4.630 9.801 8.466 1.00 1.10 H new ATOM 0 HB3 ASN A 125 4.076 10.996 7.310 1.00 1.10 H new ATOM 0 HD21 ASN A 125 2.254 12.237 10.670 1.00 1.38 H new ATOM 0 HD22 ASN A 125 1.597 11.012 9.578 1.00 1.38 H new ATOM 1838 N ILE A 126 2.284 8.855 5.487 1.00 0.91 N ATOM 1839 CA ILE A 126 2.379 7.991 4.299 1.00 0.87 C ATOM 1840 C ILE A 126 2.808 8.812 3.070 1.00 0.87 C ATOM 1841 O ILE A 126 2.424 9.979 2.926 1.00 0.91 O ATOM 1842 CB ILE A 126 1.046 7.206 4.146 1.00 0.96 C ATOM 1843 CG1 ILE A 126 1.104 6.039 3.145 1.00 1.40 C ATOM 1844 CG2 ILE A 126 -0.166 8.112 3.886 1.00 2.01 C ATOM 1845 CD1 ILE A 126 0.781 6.398 1.692 1.00 2.80 C ATOM 0 H ILE A 126 1.694 9.674 5.341 1.00 0.91 H new ATOM 0 HA ILE A 126 3.163 7.241 4.409 1.00 0.87 H new ATOM 0 HB ILE A 126 0.902 6.749 5.125 1.00 0.96 H new ATOM 0 HG12 ILE A 126 2.103 5.603 3.180 1.00 1.40 H new ATOM 0 HG13 ILE A 126 0.408 5.267 3.473 1.00 1.40 H new ATOM 0 HG21 ILE A 126 -1.063 7.501 3.789 1.00 2.01 H new ATOM 0 HG22 ILE A 126 -0.287 8.805 4.718 1.00 2.01 H new ATOM 0 HG23 ILE A 126 -0.009 8.674 2.966 1.00 2.01 H new ATOM 0 HD11 ILE A 126 0.851 5.504 1.072 1.00 2.80 H new ATOM 0 HD12 ILE A 126 -0.230 6.802 1.633 1.00 2.80 H new ATOM 0 HD13 ILE A 126 1.491 7.144 1.335 1.00 2.80 H new ATOM 1857 N THR A 127 3.625 8.207 2.203 1.00 0.93 N ATOM 1858 CA THR A 127 4.081 8.811 0.946 1.00 0.94 C ATOM 1859 C THR A 127 3.388 8.126 -0.222 1.00 0.84 C ATOM 1860 O THR A 127 3.649 6.967 -0.541 1.00 0.97 O ATOM 1861 CB THR A 127 5.608 8.802 0.827 1.00 1.07 C ATOM 1862 OG1 THR A 127 6.130 7.626 1.369 1.00 2.20 O ATOM 1863 CG2 THR A 127 6.219 9.965 1.609 1.00 2.25 C ATOM 0 H THR A 127 3.995 7.269 2.357 1.00 0.93 H new ATOM 0 HA THR A 127 3.801 9.864 0.932 1.00 0.94 H new ATOM 0 HB THR A 127 5.850 8.884 -0.233 1.00 1.07 H new ATOM 0 HG1 THR A 127 7.106 7.632 1.285 1.00 2.20 H new ATOM 0 HG21 THR A 127 7.304 9.939 1.511 1.00 2.25 H new ATOM 0 HG22 THR A 127 5.841 10.908 1.213 1.00 2.25 H new ATOM 0 HG23 THR A 127 5.948 9.878 2.661 1.00 2.25 H new ATOM 1871 N LEU A 128 2.469 8.856 -0.858 1.00 0.88 N ATOM 1872 CA LEU A 128 1.658 8.368 -1.976 1.00 1.07 C ATOM 1873 C LEU A 128 2.103 9.104 -3.239 1.00 1.12 C ATOM 1874 O LEU A 128 1.764 10.263 -3.453 1.00 1.73 O ATOM 1875 CB LEU A 128 0.158 8.566 -1.636 1.00 1.53 C ATOM 1876 CG LEU A 128 -0.604 7.238 -1.467 1.00 1.56 C ATOM 1877 CD1 LEU A 128 -1.953 7.485 -0.773 1.00 2.50 C ATOM 1878 CD2 LEU A 128 -0.844 6.518 -2.801 1.00 2.25 C ATOM 0 H LEU A 128 2.264 9.823 -0.605 1.00 0.88 H new ATOM 0 HA LEU A 128 1.797 7.301 -2.152 1.00 1.07 H new ATOM 0 HB2 LEU A 128 0.073 9.146 -0.717 1.00 1.53 H new ATOM 0 HB3 LEU A 128 -0.313 9.150 -2.426 1.00 1.53 H new ATOM 0 HG LEU A 128 0.024 6.593 -0.853 1.00 1.56 H new ATOM 0 HD11 LEU A 128 -2.482 6.539 -0.659 1.00 2.50 H new ATOM 0 HD12 LEU A 128 -1.782 7.925 0.209 1.00 2.50 H new ATOM 0 HD13 LEU A 128 -2.553 8.166 -1.376 1.00 2.50 H new ATOM 0 HD21 LEU A 128 -1.385 5.589 -2.621 1.00 2.25 H new ATOM 0 HD22 LEU A 128 -1.432 7.158 -3.459 1.00 2.25 H new ATOM 0 HD23 LEU A 128 0.114 6.295 -3.272 1.00 2.25 H new ATOM 1890 N LYS A 129 2.925 8.452 -4.062 1.00 1.18 N ATOM 1891 CA LYS A 129 3.549 9.087 -5.229 1.00 1.32 C ATOM 1892 C LYS A 129 2.675 8.942 -6.489 1.00 1.19 C ATOM 1893 O LYS A 129 2.395 7.830 -6.948 1.00 1.15 O ATOM 1894 CB LYS A 129 4.957 8.511 -5.440 1.00 1.70 C ATOM 1895 CG LYS A 129 6.075 9.096 -4.550 1.00 2.78 C ATOM 1896 CD LYS A 129 6.070 8.661 -3.072 1.00 4.39 C ATOM 1897 CE LYS A 129 6.286 7.152 -2.868 1.00 5.43 C ATOM 1898 NZ LYS A 129 7.710 6.743 -2.993 1.00 6.11 N ATOM 0 H LYS A 129 3.178 7.471 -3.941 1.00 1.18 H new ATOM 0 HA LYS A 129 3.639 10.157 -5.039 1.00 1.32 H new ATOM 0 HB2 LYS A 129 4.915 7.435 -5.274 1.00 1.70 H new ATOM 0 HB3 LYS A 129 5.236 8.662 -6.483 1.00 1.70 H new ATOM 0 HG2 LYS A 129 7.036 8.821 -4.984 1.00 2.78 H new ATOM 0 HG3 LYS A 129 6.008 10.183 -4.587 1.00 2.78 H new ATOM 0 HD2 LYS A 129 6.850 9.205 -2.540 1.00 4.39 H new ATOM 0 HD3 LYS A 129 5.119 8.946 -2.622 1.00 4.39 H new ATOM 0 HE2 LYS A 129 5.918 6.869 -1.882 1.00 5.43 H new ATOM 0 HE3 LYS A 129 5.692 6.604 -3.599 1.00 5.43 H new ATOM 0 HZ1 LYS A 129 7.791 5.717 -2.846 1.00 6.11 H new ATOM 0 HZ2 LYS A 129 8.059 6.985 -3.943 1.00 6.11 H new ATOM 0 HZ3 LYS A 129 8.278 7.241 -2.278 1.00 6.11 H new ATOM 1912 N ALA A 130 2.203 10.075 -7.029 1.00 1.44 N ATOM 1913 CA ALA A 130 1.429 10.167 -8.279 1.00 1.58 C ATOM 1914 C ALA A 130 2.167 9.528 -9.477 1.00 1.58 C ATOM 1915 O ALA A 130 3.393 9.488 -9.458 1.00 1.80 O ATOM 1916 CB ALA A 130 1.073 11.638 -8.531 1.00 1.96 C ATOM 0 H ALA A 130 2.354 10.985 -6.594 1.00 1.44 H new ATOM 0 HA ALA A 130 0.510 9.591 -8.171 1.00 1.58 H new ATOM 0 HB1 ALA A 130 0.499 11.721 -9.454 1.00 1.96 H new ATOM 0 HB2 ALA A 130 0.478 12.016 -7.699 1.00 1.96 H new ATOM 0 HB3 ALA A 130 1.988 12.224 -8.619 1.00 1.96 H new ATOM 1922 N THR A 131 1.436 8.992 -10.478 1.00 1.92 N ATOM 1923 CA THR A 131 2.024 8.093 -11.500 1.00 2.44 C ATOM 1924 C THR A 131 2.898 8.776 -12.542 1.00 2.43 C ATOM 1925 O THR A 131 3.782 8.111 -13.065 1.00 3.22 O ATOM 1926 CB THR A 131 0.995 7.164 -12.154 1.00 3.03 C ATOM 1927 OG1 THR A 131 1.745 6.218 -12.890 1.00 3.31 O ATOM 1928 CG2 THR A 131 0.034 7.891 -13.093 1.00 3.31 C ATOM 0 H THR A 131 0.438 9.165 -10.602 1.00 1.92 H new ATOM 0 HA THR A 131 2.705 7.473 -10.917 1.00 2.44 H new ATOM 0 HB THR A 131 0.371 6.714 -11.382 1.00 3.03 H new ATOM 0 HG1 THR A 131 2.623 6.595 -13.109 1.00 3.31 H new ATOM 0 HG21 THR A 131 -0.667 7.175 -13.522 1.00 3.31 H new ATOM 0 HG22 THR A 131 -0.516 8.649 -12.535 1.00 3.31 H new ATOM 0 HG23 THR A 131 0.599 8.369 -13.893 1.00 3.31 H new ATOM 1936 N ASP A 132 2.664 10.054 -12.814 1.00 1.98 N ATOM 1937 CA ASP A 132 3.537 10.944 -13.591 1.00 2.40 C ATOM 1938 C ASP A 132 3.288 12.360 -13.052 1.00 2.46 C ATOM 1939 O ASP A 132 2.489 13.133 -13.587 1.00 2.90 O ATOM 1940 CB ASP A 132 3.278 10.827 -15.110 1.00 2.75 C ATOM 1941 CG ASP A 132 4.019 9.656 -15.772 1.00 3.88 C ATOM 1942 OD1 ASP A 132 5.265 9.614 -15.671 1.00 4.69 O ATOM 1943 OD2 ASP A 132 3.335 8.857 -16.470 1.00 4.77 O ATOM 0 H ASP A 132 1.822 10.527 -12.486 1.00 1.98 H new ATOM 0 HA ASP A 132 4.586 10.671 -13.474 1.00 2.40 H new ATOM 0 HB2 ASP A 132 2.208 10.711 -15.280 1.00 2.75 H new ATOM 0 HB3 ASP A 132 3.579 11.756 -15.594 1.00 2.75 H new ATOM 1948 N GLY A 133 3.870 12.636 -11.882 1.00 2.52 N ATOM 1949 CA GLY A 133 3.557 13.798 -11.059 1.00 2.87 C ATOM 1950 C GLY A 133 4.314 13.781 -9.735 1.00 2.97 C ATOM 1951 O GLY A 133 5.357 13.139 -9.619 1.00 3.98 O ATOM 0 H GLY A 133 4.590 12.040 -11.474 1.00 2.52 H new ATOM 0 HA2 GLY A 133 3.805 14.707 -11.607 1.00 2.87 H new ATOM 0 HA3 GLY A 133 2.485 13.826 -10.863 1.00 2.87 H new ATOM 1955 N ARG A 134 3.800 14.514 -8.737 1.00 2.66 N ATOM 1956 CA ARG A 134 4.596 14.939 -7.575 1.00 3.20 C ATOM 1957 C ARG A 134 3.824 14.959 -6.230 1.00 3.06 C ATOM 1958 O ARG A 134 4.205 15.694 -5.317 1.00 4.09 O ATOM 1959 CB ARG A 134 5.279 16.282 -7.938 1.00 4.24 C ATOM 1960 CG ARG A 134 6.724 16.475 -7.431 1.00 5.83 C ATOM 1961 CD ARG A 134 6.836 17.060 -6.018 1.00 6.70 C ATOM 1962 NE ARG A 134 8.224 17.457 -5.715 1.00 8.20 N ATOM 1963 CZ ARG A 134 8.660 17.928 -4.553 1.00 9.41 C ATOM 1964 NH1 ARG A 134 7.836 18.212 -3.567 1.00 9.61 N ATOM 1965 NH2 ARG A 134 9.938 18.150 -4.353 1.00 10.77 N ATOM 0 H ARG A 134 2.830 14.827 -8.711 1.00 2.66 H new ATOM 0 HA ARG A 134 5.358 14.186 -7.375 1.00 3.20 H new ATOM 0 HB2 ARG A 134 5.281 16.382 -9.023 1.00 4.24 H new ATOM 0 HB3 ARG A 134 4.667 17.094 -7.545 1.00 4.24 H new ATOM 0 HG2 ARG A 134 7.233 15.512 -7.452 1.00 5.83 H new ATOM 0 HG3 ARG A 134 7.253 17.130 -8.123 1.00 5.83 H new ATOM 0 HD2 ARG A 134 6.179 17.925 -5.926 1.00 6.70 H new ATOM 0 HD3 ARG A 134 6.498 16.324 -5.289 1.00 6.70 H new ATOM 0 HE ARG A 134 8.909 17.361 -6.464 1.00 8.20 H new ATOM 0 HH11 ARG A 134 6.833 18.071 -3.684 1.00 9.61 H new ATOM 0 HH12 ARG A 134 8.201 18.573 -2.685 1.00 9.61 H new ATOM 0 HH21 ARG A 134 10.611 17.960 -5.096 1.00 10.77 H new ATOM 0 HH22 ARG A 134 10.258 18.512 -3.455 1.00 10.77 H new ATOM 1979 N THR A 135 2.781 14.128 -6.065 1.00 2.62 N ATOM 1980 CA THR A 135 2.225 13.792 -4.735 1.00 2.67 C ATOM 1981 C THR A 135 3.238 12.968 -3.934 1.00 1.84 C ATOM 1982 O THR A 135 4.167 12.392 -4.491 1.00 2.93 O ATOM 1983 CB THR A 135 0.828 13.151 -4.833 1.00 4.01 C ATOM 1984 OG1 THR A 135 0.038 13.969 -5.649 1.00 5.33 O ATOM 1985 CG2 THR A 135 0.046 13.064 -3.516 1.00 4.59 C ATOM 0 H THR A 135 2.300 13.672 -6.840 1.00 2.62 H new ATOM 0 HA THR A 135 2.060 14.714 -4.178 1.00 2.67 H new ATOM 0 HB THR A 135 1.007 12.139 -5.197 1.00 4.01 H new ATOM 0 HG1 THR A 135 -0.859 13.582 -5.730 1.00 5.33 H new ATOM 0 HG21 THR A 135 -0.922 12.597 -3.698 1.00 4.59 H new ATOM 0 HG22 THR A 135 0.608 12.466 -2.798 1.00 4.59 H new ATOM 0 HG23 THR A 135 -0.104 14.066 -3.115 1.00 4.59 H new ATOM 1993 N LEU A 136 3.029 12.935 -2.620 1.00 1.37 N ATOM 1994 CA LEU A 136 3.834 12.349 -1.546 1.00 1.84 C ATOM 1995 C LEU A 136 3.137 12.518 -0.182 1.00 1.36 C ATOM 1996 O LEU A 136 2.481 11.580 0.252 1.00 1.26 O ATOM 1997 CB LEU A 136 5.313 12.795 -1.589 1.00 3.49 C ATOM 1998 CG LEU A 136 5.595 14.319 -1.624 1.00 4.41 C ATOM 1999 CD1 LEU A 136 6.377 14.766 -0.378 1.00 5.60 C ATOM 2000 CD2 LEU A 136 6.406 14.708 -2.868 1.00 5.95 C ATOM 0 H LEU A 136 2.191 13.370 -2.235 1.00 1.37 H new ATOM 0 HA LEU A 136 3.894 11.274 -1.713 1.00 1.84 H new ATOM 0 HB2 LEU A 136 5.816 12.379 -0.716 1.00 3.49 H new ATOM 0 HB3 LEU A 136 5.775 12.346 -2.468 1.00 3.49 H new ATOM 0 HG LEU A 136 4.626 14.817 -1.650 1.00 4.41 H new ATOM 0 HD11 LEU A 136 6.561 15.839 -0.429 1.00 5.60 H new ATOM 0 HD12 LEU A 136 5.797 14.540 0.516 1.00 5.60 H new ATOM 0 HD13 LEU A 136 7.329 14.237 -0.336 1.00 5.60 H new ATOM 0 HD21 LEU A 136 6.587 15.783 -2.863 1.00 5.95 H new ATOM 0 HD22 LEU A 136 7.359 14.179 -2.861 1.00 5.95 H new ATOM 0 HD23 LEU A 136 5.848 14.438 -3.765 1.00 5.95 H new ATOM 2012 N ASN A 137 3.242 13.669 0.499 1.00 1.49 N ATOM 2013 CA ASN A 137 2.831 13.885 1.901 1.00 1.54 C ATOM 2014 C ASN A 137 1.313 13.718 2.127 1.00 1.52 C ATOM 2015 O ASN A 137 0.533 14.649 1.925 1.00 1.85 O ATOM 2016 CB ASN A 137 3.334 15.275 2.362 1.00 1.79 C ATOM 2017 CG ASN A 137 2.930 15.678 3.789 1.00 2.33 C ATOM 2018 OD1 ASN A 137 2.365 16.743 4.015 1.00 3.69 O ATOM 2019 ND2 ASN A 137 3.217 14.874 4.798 1.00 2.84 N ATOM 0 H ASN A 137 3.631 14.511 0.074 1.00 1.49 H new ATOM 0 HA ASN A 137 3.290 13.108 2.512 1.00 1.54 H new ATOM 0 HB2 ASN A 137 4.422 15.292 2.291 1.00 1.79 H new ATOM 0 HB3 ASN A 137 2.958 16.028 1.669 1.00 1.79 H new ATOM 0 HD21 ASN A 137 2.969 15.142 5.750 1.00 2.84 H new ATOM 0 HD22 ASN A 137 3.687 13.985 4.624 1.00 2.84 H new ATOM 2026 N VAL A 138 0.910 12.526 2.580 1.00 1.30 N ATOM 2027 CA VAL A 138 -0.491 12.143 2.873 1.00 1.35 C ATOM 2028 C VAL A 138 -0.597 11.482 4.273 1.00 1.19 C ATOM 2029 O VAL A 138 0.418 11.128 4.877 1.00 1.46 O ATOM 2030 CB VAL A 138 -1.033 11.261 1.708 1.00 1.59 C ATOM 2031 CG1 VAL A 138 -2.453 10.710 1.929 1.00 1.71 C ATOM 2032 CG2 VAL A 138 -1.062 12.045 0.379 1.00 2.03 C ATOM 0 H VAL A 138 1.568 11.768 2.762 1.00 1.30 H new ATOM 0 HA VAL A 138 -1.128 13.026 2.925 1.00 1.35 H new ATOM 0 HB VAL A 138 -0.338 10.422 1.673 1.00 1.59 H new ATOM 0 HG11 VAL A 138 -2.748 10.109 1.069 1.00 1.71 H new ATOM 0 HG12 VAL A 138 -2.468 10.092 2.826 1.00 1.71 H new ATOM 0 HG13 VAL A 138 -3.151 11.539 2.048 1.00 1.71 H new ATOM 0 HG21 VAL A 138 -1.445 11.403 -0.414 1.00 2.03 H new ATOM 0 HG22 VAL A 138 -1.709 12.916 0.484 1.00 2.03 H new ATOM 0 HG23 VAL A 138 -0.053 12.371 0.127 1.00 2.03 H new ATOM 2042 N ALA A 139 -1.815 11.362 4.822 1.00 1.13 N ATOM 2043 CA ALA A 139 -2.105 10.720 6.119 1.00 1.17 C ATOM 2044 C ALA A 139 -2.771 9.331 5.972 1.00 1.12 C ATOM 2045 O ALA A 139 -3.543 9.110 5.037 1.00 1.34 O ATOM 2046 CB ALA A 139 -2.992 11.674 6.932 1.00 1.61 C ATOM 0 H ALA A 139 -2.653 11.719 4.364 1.00 1.13 H new ATOM 0 HA ALA A 139 -1.163 10.536 6.635 1.00 1.17 H new ATOM 0 HB1 ALA A 139 -3.222 11.223 7.897 1.00 1.61 H new ATOM 0 HB2 ALA A 139 -2.466 12.616 7.087 1.00 1.61 H new ATOM 0 HB3 ALA A 139 -3.918 11.861 6.389 1.00 1.61 H new ATOM 2052 N ALA A 140 -2.505 8.441 6.932 1.00 1.13 N ATOM 2053 CA ALA A 140 -2.974 7.050 7.011 1.00 1.09 C ATOM 2054 C ALA A 140 -3.170 6.621 8.475 1.00 1.03 C ATOM 2055 O ALA A 140 -2.698 7.311 9.390 1.00 1.08 O ATOM 2056 CB ALA A 140 -1.921 6.171 6.324 1.00 1.05 C ATOM 0 H ALA A 140 -1.917 8.687 7.729 1.00 1.13 H new ATOM 0 HA ALA A 140 -3.939 6.946 6.516 1.00 1.09 H new ATOM 0 HB1 ALA A 140 -2.236 5.128 6.363 1.00 1.05 H new ATOM 0 HB2 ALA A 140 -1.813 6.479 5.284 1.00 1.05 H new ATOM 0 HB3 ALA A 140 -0.965 6.281 6.836 1.00 1.05 H new ATOM 2062 N THR A 141 -3.811 5.469 8.728 1.00 1.03 N ATOM 2063 CA THR A 141 -4.107 4.947 10.083 1.00 1.08 C ATOM 2064 C THR A 141 -3.527 3.558 10.253 1.00 0.92 C ATOM 2065 O THR A 141 -3.273 2.870 9.268 1.00 0.89 O ATOM 2066 CB THR A 141 -5.623 4.944 10.324 1.00 1.35 C ATOM 2067 OG1 THR A 141 -6.086 6.251 10.085 1.00 1.77 O ATOM 2068 CG2 THR A 141 -6.044 4.604 11.757 1.00 1.52 C ATOM 0 H THR A 141 -4.147 4.857 7.984 1.00 1.03 H new ATOM 0 HA THR A 141 -3.642 5.598 10.824 1.00 1.08 H new ATOM 0 HB THR A 141 -6.037 4.179 9.667 1.00 1.35 H new ATOM 0 HG1 THR A 141 -7.055 6.286 10.228 1.00 1.77 H new ATOM 0 HG21 THR A 141 -7.131 4.626 11.832 1.00 1.52 H new ATOM 0 HG22 THR A 141 -5.683 3.609 12.016 1.00 1.52 H new ATOM 0 HG23 THR A 141 -5.618 5.335 12.444 1.00 1.52 H new ATOM 2076 N VAL A 142 -3.302 3.116 11.492 1.00 0.96 N ATOM 2077 CA VAL A 142 -2.853 1.744 11.757 1.00 0.96 C ATOM 2078 C VAL A 142 -3.936 0.996 12.550 1.00 1.33 C ATOM 2079 O VAL A 142 -4.453 1.508 13.537 1.00 1.87 O ATOM 2080 CB VAL A 142 -1.474 1.777 12.463 1.00 1.27 C ATOM 2081 CG1 VAL A 142 -0.876 0.371 12.619 1.00 1.79 C ATOM 2082 CG2 VAL A 142 -0.504 2.701 11.693 1.00 1.61 C ATOM 0 H VAL A 142 -3.423 3.687 12.329 1.00 0.96 H new ATOM 0 HA VAL A 142 -2.711 1.193 10.828 1.00 0.96 H new ATOM 0 HB VAL A 142 -1.624 2.176 13.466 1.00 1.27 H new ATOM 0 HG11 VAL A 142 0.090 0.440 13.119 1.00 1.79 H new ATOM 0 HG12 VAL A 142 -1.549 -0.247 13.214 1.00 1.79 H new ATOM 0 HG13 VAL A 142 -0.745 -0.080 11.635 1.00 1.79 H new ATOM 0 HG21 VAL A 142 0.462 2.717 12.198 1.00 1.61 H new ATOM 0 HG22 VAL A 142 -0.376 2.328 10.677 1.00 1.61 H new ATOM 0 HG23 VAL A 142 -0.913 3.711 11.660 1.00 1.61 H new ATOM 2092 N LYS A 143 -4.306 -0.201 12.080 1.00 1.16 N ATOM 2093 CA LYS A 143 -5.398 -1.029 12.627 1.00 1.32 C ATOM 2094 C LYS A 143 -5.004 -2.522 12.582 1.00 1.44 C ATOM 2095 O LYS A 143 -4.210 -2.936 11.738 1.00 2.23 O ATOM 2096 CB LYS A 143 -6.691 -0.723 11.834 1.00 1.46 C ATOM 2097 CG LYS A 143 -7.917 -1.596 12.172 1.00 1.75 C ATOM 2098 CD LYS A 143 -9.175 -1.123 11.416 1.00 2.05 C ATOM 2099 CE LYS A 143 -10.351 -2.100 11.601 1.00 2.72 C ATOM 2100 NZ LYS A 143 -11.606 -1.603 10.974 1.00 3.01 N ATOM 0 H LYS A 143 -3.842 -0.638 11.284 1.00 1.16 H new ATOM 0 HA LYS A 143 -5.581 -0.791 13.675 1.00 1.32 H new ATOM 0 HB2 LYS A 143 -6.957 0.321 12.001 1.00 1.46 H new ATOM 0 HB3 LYS A 143 -6.475 -0.831 10.771 1.00 1.46 H new ATOM 0 HG2 LYS A 143 -7.707 -2.634 11.916 1.00 1.75 H new ATOM 0 HG3 LYS A 143 -8.103 -1.564 13.246 1.00 1.75 H new ATOM 0 HD2 LYS A 143 -9.464 -0.134 11.773 1.00 2.05 H new ATOM 0 HD3 LYS A 143 -8.947 -1.025 10.355 1.00 2.05 H new ATOM 0 HE2 LYS A 143 -10.089 -3.065 11.168 1.00 2.72 H new ATOM 0 HE3 LYS A 143 -10.520 -2.264 12.665 1.00 2.72 H new ATOM 0 HZ1 LYS A 143 -12.367 -2.295 11.126 1.00 3.01 H new ATOM 0 HZ2 LYS A 143 -11.873 -0.695 11.404 1.00 3.01 H new ATOM 0 HZ3 LYS A 143 -11.456 -1.472 9.953 1.00 3.01 H new ATOM 2114 N LYS A 144 -5.502 -3.337 13.518 1.00 1.41 N ATOM 2115 CA LYS A 144 -5.214 -4.782 13.568 1.00 1.61 C ATOM 2116 C LYS A 144 -6.319 -5.588 12.863 1.00 1.81 C ATOM 2117 O LYS A 144 -7.496 -5.346 13.115 1.00 2.83 O ATOM 2118 CB LYS A 144 -4.965 -5.243 15.024 1.00 2.52 C ATOM 2119 CG LYS A 144 -6.188 -5.252 15.959 1.00 3.45 C ATOM 2120 CD LYS A 144 -5.737 -5.503 17.405 1.00 4.72 C ATOM 2121 CE LYS A 144 -6.927 -5.583 18.371 1.00 5.73 C ATOM 2122 NZ LYS A 144 -6.475 -5.603 19.784 1.00 7.06 N ATOM 0 H LYS A 144 -6.118 -3.017 14.265 1.00 1.41 H new ATOM 0 HA LYS A 144 -4.293 -4.976 13.019 1.00 1.61 H new ATOM 0 HB2 LYS A 144 -4.549 -6.250 14.997 1.00 2.52 H new ATOM 0 HB3 LYS A 144 -4.205 -4.596 15.462 1.00 2.52 H new ATOM 0 HG2 LYS A 144 -6.714 -4.300 15.893 1.00 3.45 H new ATOM 0 HG3 LYS A 144 -6.889 -6.026 15.648 1.00 3.45 H new ATOM 0 HD2 LYS A 144 -5.169 -6.432 17.452 1.00 4.72 H new ATOM 0 HD3 LYS A 144 -5.067 -4.703 17.720 1.00 4.72 H new ATOM 0 HE2 LYS A 144 -7.586 -4.730 18.210 1.00 5.73 H new ATOM 0 HE3 LYS A 144 -7.509 -6.480 18.161 1.00 5.73 H new ATOM 0 HZ1 LYS A 144 -7.302 -5.657 20.412 1.00 7.06 H new ATOM 0 HZ2 LYS A 144 -5.865 -6.431 19.942 1.00 7.06 H new ATOM 0 HZ3 LYS A 144 -5.940 -4.735 19.990 1.00 7.06 H new ATOM 2136 N ASN A 145 -5.926 -6.556 12.019 1.00 1.84 N ATOM 2137 CA ASN A 145 -6.829 -7.465 11.278 1.00 2.73 C ATOM 2138 C ASN A 145 -6.151 -8.602 10.473 1.00 2.66 C ATOM 2139 O ASN A 145 -6.835 -9.324 9.748 1.00 3.63 O ATOM 2140 CB ASN A 145 -7.819 -6.683 10.376 1.00 4.02 C ATOM 2141 CG ASN A 145 -7.144 -5.910 9.253 1.00 4.73 C ATOM 2142 OD1 ASN A 145 -5.925 -5.853 9.149 1.00 5.04 O ATOM 2143 ND2 ASN A 145 -7.919 -5.277 8.384 1.00 6.16 N ATOM 0 H ASN A 145 -4.941 -6.737 11.824 1.00 1.84 H new ATOM 0 HA ASN A 145 -7.372 -7.975 12.074 1.00 2.73 H new ATOM 0 HB2 ASN A 145 -8.534 -7.383 9.944 1.00 4.02 H new ATOM 0 HB3 ASN A 145 -8.387 -5.987 10.993 1.00 4.02 H new ATOM 0 HD21 ASN A 145 -7.501 -4.740 7.625 1.00 6.16 H new ATOM 0 HD22 ASN A 145 -8.934 -5.327 8.475 1.00 6.16 H new ATOM 2150 N ILE A 146 -4.824 -8.776 10.572 1.00 2.29 N ATOM 2151 CA ILE A 146 -4.084 -9.749 9.736 1.00 2.92 C ATOM 2152 C ILE A 146 -3.708 -11.037 10.466 1.00 3.29 C ATOM 2153 O ILE A 146 -3.465 -12.026 9.802 1.00 4.32 O ATOM 2154 CB ILE A 146 -2.808 -9.131 9.111 1.00 3.14 C ATOM 2155 CG1 ILE A 146 -1.717 -8.761 10.145 1.00 3.99 C ATOM 2156 CG2 ILE A 146 -3.166 -7.938 8.209 1.00 4.56 C ATOM 2157 CD1 ILE A 146 -0.319 -8.652 9.521 1.00 5.03 C ATOM 0 H ILE A 146 -4.235 -8.256 11.223 1.00 2.29 H new ATOM 0 HA ILE A 146 -4.788 -10.012 8.947 1.00 2.92 H new ATOM 0 HB ILE A 146 -2.362 -9.912 8.496 1.00 3.14 H new ATOM 0 HG12 ILE A 146 -1.975 -7.812 10.615 1.00 3.99 H new ATOM 0 HG13 ILE A 146 -1.700 -9.513 10.934 1.00 3.99 H new ATOM 0 HG21 ILE A 146 -2.255 -7.519 7.781 1.00 4.56 H new ATOM 0 HG22 ILE A 146 -3.824 -8.273 7.407 1.00 4.56 H new ATOM 0 HG23 ILE A 146 -3.673 -7.175 8.799 1.00 4.56 H new ATOM 0 HD11 ILE A 146 0.405 -8.390 10.293 1.00 5.03 H new ATOM 0 HD12 ILE A 146 -0.044 -9.608 9.075 1.00 5.03 H new ATOM 0 HD13 ILE A 146 -0.323 -7.880 8.751 1.00 5.03 H new ATOM 2169 N GLU A 147 -3.669 -11.075 11.793 1.00 3.15 N ATOM 2170 CA GLU A 147 -3.180 -12.268 12.562 1.00 3.98 C ATOM 2171 C GLU A 147 -3.673 -12.183 14.021 1.00 4.04 C ATOM 2172 O GLU A 147 -4.539 -12.968 14.404 1.00 5.12 O ATOM 2173 CB GLU A 147 -1.621 -12.223 12.543 1.00 4.55 C ATOM 2174 CG GLU A 147 -0.942 -13.417 13.211 1.00 5.28 C ATOM 2175 CD GLU A 147 0.569 -13.485 12.943 1.00 6.33 C ATOM 2176 OE1 GLU A 147 1.235 -12.421 12.941 1.00 6.84 O ATOM 2177 OE2 GLU A 147 1.052 -14.629 12.787 1.00 7.31 O ATOM 0 H GLU A 147 -3.967 -10.299 12.384 1.00 3.15 H new ATOM 0 HA GLU A 147 -3.552 -13.192 12.119 1.00 3.98 H new ATOM 0 HB2 GLU A 147 -1.285 -12.163 11.508 1.00 4.55 H new ATOM 0 HB3 GLU A 147 -1.291 -11.310 13.039 1.00 4.55 H new ATOM 0 HG2 GLU A 147 -1.111 -13.367 14.287 1.00 5.28 H new ATOM 0 HG3 GLU A 147 -1.409 -14.336 12.857 1.00 5.28 H new