USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=28 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 31 GLN : amide:sc= -0.286 K(o=-0.45,f=-6.1!) USER MOD Set 1.2: A 49 MET CE :methyl 178:sc= -0.166 (180deg=-0.115) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -47:sc= 0.00874 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.119 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= 0.182 X(o=0.18,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -8:sc= 0.428 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc=-0.000649 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl -176:sc= 0 (180deg=-0.0314) USER MOD Single : A 76 THR OG1 : rot 121:sc= 1.84 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 28:sc= 0.382 USER MOD Single : A 79 HIS : no HE2:sc= 0.762 K(o=0.76,f=-2.4!) USER MOD Single : A 80 SER OG : rot -121:sc= 0.247 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+ -178:sc= 0 (180deg=-0.00523) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.0294 USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.0161 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.0387 USER MOD Single : A 103 GLN : amide:sc= 0.185 X(o=0.19,f=-0.15) USER MOD Single : A 108 HIS : no HE2:sc= 0.311 K(o=0.31,f=-2.4!) USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 112 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (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 X(o=0,f=0) USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 THR OG1 : rot -150:sc= -0.23 USER MOD Single : A 137 ASN : amide:sc= -0.121 K(o=-0.12,f=-4.8!) 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= 0.58 K(o=0.58,f=-0.018) USER MOD ----------------------------------------------------------------- ATOM 369 N VAL A 28 -15.921 7.610 -6.055 1.00 3.08 N ATOM 370 CA VAL A 28 -14.834 6.682 -5.729 1.00 2.41 C ATOM 371 C VAL A 28 -14.651 6.698 -4.209 1.00 2.59 C ATOM 372 O VAL A 28 -14.437 7.759 -3.623 1.00 3.14 O ATOM 373 CB VAL A 28 -13.529 7.007 -6.503 1.00 2.26 C ATOM 374 CG1 VAL A 28 -13.075 8.476 -6.416 1.00 2.93 C ATOM 375 CG2 VAL A 28 -12.380 6.082 -6.075 1.00 3.01 C ATOM 0 HA VAL A 28 -15.093 5.673 -6.050 1.00 2.41 H new ATOM 0 HB VAL A 28 -13.782 6.829 -7.548 1.00 2.26 H new ATOM 0 HG11 VAL A 28 -12.156 8.607 -6.987 1.00 2.93 H new ATOM 0 HG12 VAL A 28 -13.852 9.122 -6.826 1.00 2.93 H new ATOM 0 HG13 VAL A 28 -12.896 8.740 -5.374 1.00 2.93 H new ATOM 0 HG21 VAL A 28 -11.480 6.336 -6.636 1.00 3.01 H new ATOM 0 HG22 VAL A 28 -12.190 6.207 -5.009 1.00 3.01 H new ATOM 0 HG23 VAL A 28 -12.653 5.046 -6.276 1.00 3.01 H new ATOM 385 N THR A 29 -14.776 5.522 -3.582 1.00 2.50 N ATOM 386 CA THR A 29 -14.493 5.339 -2.151 1.00 2.79 C ATOM 387 C THR A 29 -13.036 4.956 -2.003 1.00 2.31 C ATOM 388 O THR A 29 -12.531 4.065 -2.685 1.00 2.32 O ATOM 389 CB THR A 29 -15.392 4.303 -1.476 1.00 3.40 C ATOM 390 OG1 THR A 29 -16.726 4.693 -1.681 1.00 3.95 O ATOM 391 CG2 THR A 29 -15.173 4.232 0.038 1.00 4.08 C ATOM 0 H THR A 29 -15.077 4.668 -4.052 1.00 2.50 H new ATOM 0 HA THR A 29 -14.705 6.280 -1.644 1.00 2.79 H new ATOM 0 HB THR A 29 -15.158 3.329 -1.906 1.00 3.40 H new ATOM 0 HG1 THR A 29 -17.325 4.043 -1.259 1.00 3.95 H new ATOM 0 HG21 THR A 29 -15.836 3.481 0.467 1.00 4.08 H new ATOM 0 HG22 THR A 29 -14.137 3.961 0.244 1.00 4.08 H new ATOM 0 HG23 THR A 29 -15.389 5.203 0.483 1.00 4.08 H new ATOM 399 N VAL A 30 -12.397 5.666 -1.091 1.00 2.59 N ATOM 400 CA VAL A 30 -10.962 5.677 -0.845 1.00 2.67 C ATOM 401 C VAL A 30 -10.658 4.800 0.373 1.00 2.39 C ATOM 402 O VAL A 30 -11.319 4.895 1.404 1.00 2.94 O ATOM 403 CB VAL A 30 -10.480 7.144 -0.694 1.00 3.94 C ATOM 404 CG1 VAL A 30 -10.966 7.841 0.590 1.00 5.30 C ATOM 405 CG2 VAL A 30 -8.957 7.291 -0.815 1.00 4.54 C ATOM 0 H VAL A 30 -12.897 6.292 -0.460 1.00 2.59 H new ATOM 0 HA VAL A 30 -10.410 5.254 -1.684 1.00 2.67 H new ATOM 0 HB VAL A 30 -10.949 7.653 -1.536 1.00 3.94 H new ATOM 0 HG11 VAL A 30 -10.584 8.862 0.617 1.00 5.30 H new ATOM 0 HG12 VAL A 30 -12.056 7.861 0.603 1.00 5.30 H new ATOM 0 HG13 VAL A 30 -10.602 7.295 1.460 1.00 5.30 H new ATOM 0 HG21 VAL A 30 -8.682 8.340 -0.701 1.00 4.54 H new ATOM 0 HG22 VAL A 30 -8.472 6.702 -0.037 1.00 4.54 H new ATOM 0 HG23 VAL A 30 -8.634 6.936 -1.794 1.00 4.54 H new ATOM 415 N GLN A 31 -9.649 3.946 0.240 1.00 2.03 N ATOM 416 CA GLN A 31 -9.071 3.164 1.327 1.00 2.17 C ATOM 417 C GLN A 31 -8.379 4.015 2.397 1.00 2.13 C ATOM 418 O GLN A 31 -8.243 3.573 3.535 1.00 3.33 O ATOM 419 CB GLN A 31 -8.049 2.200 0.714 1.00 2.42 C ATOM 420 CG GLN A 31 -6.776 2.809 0.067 1.00 2.38 C ATOM 421 CD GLN A 31 -6.866 3.504 -1.299 1.00 2.59 C ATOM 422 OE1 GLN A 31 -7.619 4.433 -1.512 1.00 3.88 O ATOM 423 NE2 GLN A 31 -6.043 3.132 -2.262 1.00 2.19 N ATOM 0 H GLN A 31 -9.196 3.773 -0.657 1.00 2.03 H new ATOM 0 HA GLN A 31 -9.885 2.643 1.831 1.00 2.17 H new ATOM 0 HB2 GLN A 31 -7.730 1.509 1.495 1.00 2.42 H new ATOM 0 HB3 GLN A 31 -8.560 1.609 -0.045 1.00 2.42 H new ATOM 0 HG2 GLN A 31 -6.368 3.533 0.773 1.00 2.38 H new ATOM 0 HG3 GLN A 31 -6.044 2.007 -0.025 1.00 2.38 H new ATOM 0 HE21 GLN A 31 -5.400 2.355 -2.111 1.00 2.19 H new ATOM 0 HE22 GLN A 31 -6.051 3.622 -3.157 1.00 2.19 H new ATOM 432 N GLY A 32 -7.856 5.180 1.998 1.00 1.82 N ATOM 433 CA GLY A 32 -7.013 6.045 2.822 1.00 2.11 C ATOM 434 C GLY A 32 -5.589 5.508 2.939 1.00 1.99 C ATOM 435 O GLY A 32 -4.660 6.201 2.533 1.00 3.26 O ATOM 0 H GLY A 32 -8.014 5.556 1.063 1.00 1.82 H new ATOM 0 HA2 GLY A 32 -6.989 7.046 2.391 1.00 2.11 H new ATOM 0 HA3 GLY A 32 -7.449 6.136 3.817 1.00 2.11 H new ATOM 439 N ALA A 33 -5.465 4.274 3.448 1.00 1.30 N ATOM 440 CA ALA A 33 -4.286 3.479 3.808 1.00 1.22 C ATOM 441 C ALA A 33 -4.367 3.086 5.288 1.00 1.28 C ATOM 442 O ALA A 33 -4.432 3.940 6.178 1.00 1.63 O ATOM 443 CB ALA A 33 -2.939 4.132 3.465 1.00 1.37 C ATOM 0 H ALA A 33 -6.311 3.738 3.643 1.00 1.30 H new ATOM 0 HA ALA A 33 -4.312 2.586 3.184 1.00 1.22 H new ATOM 0 HB1 ALA A 33 -2.127 3.471 3.768 1.00 1.37 H new ATOM 0 HB2 ALA A 33 -2.883 4.308 2.391 1.00 1.37 H new ATOM 0 HB3 ALA A 33 -2.850 5.082 3.993 1.00 1.37 H new ATOM 449 N THR A 34 -4.340 1.770 5.518 1.00 1.12 N ATOM 450 CA THR A 34 -4.479 1.173 6.842 1.00 1.11 C ATOM 451 C THR A 34 -3.364 0.176 7.048 1.00 1.00 C ATOM 452 O THR A 34 -3.193 -0.780 6.296 1.00 1.19 O ATOM 453 CB THR A 34 -5.844 0.523 7.004 1.00 1.35 C ATOM 454 OG1 THR A 34 -6.824 1.489 6.700 1.00 2.07 O ATOM 455 CG2 THR A 34 -6.095 0.025 8.423 1.00 1.46 C ATOM 0 H THR A 34 -4.219 1.082 4.775 1.00 1.12 H new ATOM 0 HA THR A 34 -4.406 1.950 7.603 1.00 1.11 H new ATOM 0 HB THR A 34 -5.885 -0.338 6.337 1.00 1.35 H new ATOM 0 HG1 THR A 34 -7.715 1.092 6.796 1.00 2.07 H new ATOM 0 HG21 THR A 34 -7.084 -0.429 8.479 1.00 1.46 H new ATOM 0 HG22 THR A 34 -5.340 -0.715 8.688 1.00 1.46 H new ATOM 0 HG23 THR A 34 -6.041 0.863 9.118 1.00 1.46 H new ATOM 463 N VAL A 35 -2.609 0.418 8.101 1.00 0.81 N ATOM 464 CA VAL A 35 -1.493 -0.433 8.538 1.00 0.73 C ATOM 465 C VAL A 35 -2.044 -1.571 9.399 1.00 0.77 C ATOM 466 O VAL A 35 -2.928 -1.360 10.227 1.00 0.80 O ATOM 467 CB VAL A 35 -0.396 0.392 9.249 1.00 0.67 C ATOM 468 CG1 VAL A 35 0.705 -0.493 9.861 1.00 1.08 C ATOM 469 CG2 VAL A 35 0.258 1.362 8.248 1.00 0.72 C ATOM 0 H VAL A 35 -2.749 1.231 8.700 1.00 0.81 H new ATOM 0 HA VAL A 35 -1.003 -0.874 7.670 1.00 0.73 H new ATOM 0 HB VAL A 35 -0.884 0.935 10.058 1.00 0.67 H new ATOM 0 HG11 VAL A 35 1.450 0.137 10.348 1.00 1.08 H new ATOM 0 HG12 VAL A 35 0.264 -1.167 10.595 1.00 1.08 H new ATOM 0 HG13 VAL A 35 1.182 -1.077 9.074 1.00 1.08 H new ATOM 0 HG21 VAL A 35 1.030 1.941 8.754 1.00 0.72 H new ATOM 0 HG22 VAL A 35 0.706 0.795 7.432 1.00 0.72 H new ATOM 0 HG23 VAL A 35 -0.499 2.037 7.849 1.00 0.72 H new ATOM 479 N ALA A 36 -1.527 -2.787 9.203 1.00 0.90 N ATOM 480 CA ALA A 36 -2.112 -4.018 9.746 1.00 1.43 C ATOM 481 C ALA A 36 -2.200 -4.100 11.283 1.00 2.11 C ATOM 482 O ALA A 36 -3.056 -4.810 11.809 1.00 4.13 O ATOM 483 CB ALA A 36 -1.305 -5.188 9.177 1.00 1.35 C ATOM 0 H ALA A 36 -0.681 -2.947 8.657 1.00 0.90 H new ATOM 0 HA ALA A 36 -3.158 -4.044 9.439 1.00 1.43 H new ATOM 0 HB1 ALA A 36 -1.708 -6.127 9.557 1.00 1.35 H new ATOM 0 HB2 ALA A 36 -1.369 -5.179 8.089 1.00 1.35 H new ATOM 0 HB3 ALA A 36 -0.262 -5.092 9.480 1.00 1.35 H new ATOM 489 N ALA A 37 -1.309 -3.360 11.950 1.00 1.03 N ATOM 490 CA ALA A 37 -1.040 -3.242 13.396 1.00 1.09 C ATOM 491 C ALA A 37 -0.023 -4.292 13.871 1.00 1.03 C ATOM 492 O ALA A 37 -0.022 -5.409 13.359 1.00 1.28 O ATOM 493 CB ALA A 37 -2.325 -3.310 14.245 1.00 1.42 C ATOM 0 H ALA A 37 -0.678 -2.752 11.428 1.00 1.03 H new ATOM 0 HA ALA A 37 -0.606 -2.253 13.543 1.00 1.09 H new ATOM 0 HB1 ALA A 37 -2.069 -3.218 15.301 1.00 1.42 H new ATOM 0 HB2 ALA A 37 -2.992 -2.496 13.961 1.00 1.42 H new ATOM 0 HB3 ALA A 37 -2.824 -4.264 14.074 1.00 1.42 H new ATOM 499 N VAL A 38 0.805 -3.954 14.864 1.00 1.01 N ATOM 500 CA VAL A 38 1.714 -4.916 15.523 1.00 1.02 C ATOM 501 C VAL A 38 1.813 -4.653 17.035 1.00 1.34 C ATOM 502 O VAL A 38 1.604 -3.511 17.455 1.00 1.64 O ATOM 503 CB VAL A 38 3.143 -4.913 14.917 1.00 0.99 C ATOM 504 CG1 VAL A 38 3.149 -5.492 13.496 1.00 1.97 C ATOM 505 CG2 VAL A 38 3.808 -3.522 14.930 1.00 2.27 C ATOM 0 H VAL A 38 0.869 -3.007 15.239 1.00 1.01 H new ATOM 0 HA VAL A 38 1.273 -5.897 15.348 1.00 1.02 H new ATOM 0 HB VAL A 38 3.739 -5.555 15.565 1.00 0.99 H new ATOM 0 HG11 VAL A 38 4.165 -5.475 13.101 1.00 1.97 H new ATOM 0 HG12 VAL A 38 2.786 -6.519 13.520 1.00 1.97 H new ATOM 0 HG13 VAL A 38 2.501 -4.893 12.856 1.00 1.97 H new ATOM 0 HG21 VAL A 38 4.804 -3.591 14.493 1.00 2.27 H new ATOM 0 HG22 VAL A 38 3.204 -2.825 14.349 1.00 2.27 H new ATOM 0 HG23 VAL A 38 3.887 -3.166 15.957 1.00 2.27 H new ATOM 515 N PRO A 39 2.157 -5.667 17.853 1.00 1.44 N ATOM 516 CA PRO A 39 2.519 -5.485 19.256 1.00 1.71 C ATOM 517 C PRO A 39 3.759 -4.588 19.446 1.00 1.75 C ATOM 518 O PRO A 39 4.579 -4.476 18.527 1.00 1.62 O ATOM 519 CB PRO A 39 2.809 -6.892 19.802 1.00 1.73 C ATOM 520 CG PRO A 39 2.075 -7.824 18.843 1.00 1.99 C ATOM 521 CD PRO A 39 2.149 -7.083 17.513 1.00 1.44 C ATOM 0 HA PRO A 39 1.706 -4.985 19.782 1.00 1.71 H new ATOM 0 HB2 PRO A 39 3.879 -7.100 19.819 1.00 1.73 H new ATOM 0 HB3 PRO A 39 2.446 -7.005 20.824 1.00 1.73 H new ATOM 0 HG2 PRO A 39 2.553 -8.802 18.786 1.00 1.99 H new ATOM 0 HG3 PRO A 39 1.044 -7.991 19.154 1.00 1.99 H new ATOM 0 HD2 PRO A 39 3.047 -7.358 16.960 1.00 1.44 H new ATOM 0 HD3 PRO A 39 1.297 -7.329 16.879 1.00 1.44 H new ATOM 529 N PRO A 40 3.953 -4.009 20.647 1.00 2.14 N ATOM 530 CA PRO A 40 5.225 -3.411 21.023 1.00 2.34 C ATOM 531 C PRO A 40 6.336 -4.465 21.064 1.00 2.35 C ATOM 532 O PRO A 40 6.099 -5.596 21.485 1.00 3.45 O ATOM 533 CB PRO A 40 5.017 -2.739 22.381 1.00 2.77 C ATOM 534 CG PRO A 40 3.704 -3.305 22.924 1.00 2.91 C ATOM 535 CD PRO A 40 2.976 -3.900 21.720 1.00 2.53 C ATOM 0 HA PRO A 40 5.544 -2.672 20.288 1.00 2.34 H new ATOM 0 HB2 PRO A 40 5.845 -2.955 23.056 1.00 2.77 H new ATOM 0 HB3 PRO A 40 4.964 -1.655 22.278 1.00 2.77 H new ATOM 0 HG2 PRO A 40 3.890 -4.065 23.683 1.00 2.91 H new ATOM 0 HG3 PRO A 40 3.107 -2.524 23.395 1.00 2.91 H new ATOM 0 HD2 PRO A 40 2.560 -4.877 21.964 1.00 2.53 H new ATOM 0 HD3 PRO A 40 2.142 -3.265 21.420 1.00 2.53 H new ATOM 543 N SER A 41 7.542 -4.069 20.629 1.00 1.94 N ATOM 544 CA SER A 41 8.762 -4.905 20.520 1.00 2.05 C ATOM 545 C SER A 41 8.877 -5.605 19.141 1.00 1.91 C ATOM 546 O SER A 41 9.616 -6.582 19.010 1.00 2.15 O ATOM 547 CB SER A 41 8.916 -5.870 21.723 1.00 2.29 C ATOM 548 OG SER A 41 10.260 -6.269 21.956 1.00 2.65 O ATOM 0 H SER A 41 7.708 -3.109 20.327 1.00 1.94 H new ATOM 0 HA SER A 41 9.618 -4.232 20.572 1.00 2.05 H new ATOM 0 HB2 SER A 41 8.527 -5.387 22.619 1.00 2.29 H new ATOM 0 HB3 SER A 41 8.306 -6.757 21.549 1.00 2.29 H new ATOM 0 HG SER A 41 10.673 -6.539 21.109 1.00 2.65 H new ATOM 554 N ILE A 42 8.165 -5.113 18.112 1.00 1.72 N ATOM 555 CA ILE A 42 8.211 -5.587 16.712 1.00 1.58 C ATOM 556 C ILE A 42 8.739 -4.483 15.767 1.00 1.40 C ATOM 557 O ILE A 42 8.362 -3.316 15.902 1.00 1.70 O ATOM 558 CB ILE A 42 6.803 -6.076 16.289 1.00 1.70 C ATOM 559 CG1 ILE A 42 6.254 -7.206 17.197 1.00 2.03 C ATOM 560 CG2 ILE A 42 6.763 -6.519 14.816 1.00 1.68 C ATOM 561 CD1 ILE A 42 7.073 -8.506 17.215 1.00 2.32 C ATOM 0 H ILE A 42 7.512 -4.340 18.236 1.00 1.72 H new ATOM 0 HA ILE A 42 8.907 -6.423 16.639 1.00 1.58 H new ATOM 0 HB ILE A 42 6.151 -5.211 16.411 1.00 1.70 H new ATOM 0 HG12 ILE A 42 6.187 -6.827 18.217 1.00 2.03 H new ATOM 0 HG13 ILE A 42 5.239 -7.442 16.877 1.00 2.03 H new ATOM 0 HG21 ILE A 42 5.757 -6.854 14.564 1.00 1.68 H new ATOM 0 HG22 ILE A 42 7.037 -5.680 14.176 1.00 1.68 H new ATOM 0 HG23 ILE A 42 7.467 -7.337 14.663 1.00 1.68 H new ATOM 0 HD11 ILE A 42 6.598 -9.226 17.882 1.00 2.32 H new ATOM 0 HD12 ILE A 42 7.120 -8.920 16.208 1.00 2.32 H new ATOM 0 HD13 ILE A 42 8.082 -8.295 17.568 1.00 2.32 H new ATOM 573 N ARG A 43 9.617 -4.856 14.817 1.00 1.17 N ATOM 574 CA ARG A 43 10.319 -3.962 13.875 1.00 1.14 C ATOM 575 C ARG A 43 9.974 -4.247 12.399 1.00 0.99 C ATOM 576 O ARG A 43 10.708 -3.877 11.481 1.00 1.12 O ATOM 577 CB ARG A 43 11.835 -3.936 14.165 1.00 1.44 C ATOM 578 CG ARG A 43 12.566 -5.297 14.144 1.00 2.30 C ATOM 579 CD ARG A 43 13.068 -5.748 12.768 1.00 3.51 C ATOM 580 NE ARG A 43 13.412 -7.188 12.787 1.00 4.43 N ATOM 581 CZ ARG A 43 14.561 -7.721 13.193 1.00 4.91 C ATOM 582 NH1 ARG A 43 15.634 -6.986 13.410 1.00 4.86 N ATOM 583 NH2 ARG A 43 14.700 -9.015 13.363 1.00 5.82 N ATOM 0 H ARG A 43 9.868 -5.835 14.678 1.00 1.17 H new ATOM 0 HA ARG A 43 9.949 -2.951 14.046 1.00 1.14 H new ATOM 0 HB2 ARG A 43 12.311 -3.282 13.434 1.00 1.44 H new ATOM 0 HB3 ARG A 43 11.987 -3.483 15.145 1.00 1.44 H new ATOM 0 HG2 ARG A 43 13.416 -5.245 14.824 1.00 2.30 H new ATOM 0 HG3 ARG A 43 11.892 -6.059 14.535 1.00 2.30 H new ATOM 0 HD2 ARG A 43 12.302 -5.561 12.016 1.00 3.51 H new ATOM 0 HD3 ARG A 43 13.943 -5.163 12.484 1.00 3.51 H new ATOM 0 HE ARG A 43 12.697 -7.836 12.456 1.00 4.43 H new ATOM 0 HH11 ARG A 43 15.598 -5.977 13.267 1.00 4.86 H new ATOM 0 HH12 ARG A 43 16.500 -7.427 13.721 1.00 4.86 H new ATOM 0 HH21 ARG A 43 13.915 -9.640 13.183 1.00 5.82 H new ATOM 0 HH22 ARG A 43 15.593 -9.395 13.675 1.00 5.82 H new ATOM 597 N ASP A 44 8.848 -4.915 12.171 1.00 0.92 N ATOM 598 CA ASP A 44 8.451 -5.500 10.885 1.00 0.88 C ATOM 599 C ASP A 44 6.936 -5.305 10.698 1.00 0.79 C ATOM 600 O ASP A 44 6.156 -5.793 11.518 1.00 0.90 O ATOM 601 CB ASP A 44 8.810 -7.006 10.872 1.00 1.18 C ATOM 602 CG ASP A 44 10.248 -7.324 11.309 1.00 1.66 C ATOM 603 OD1 ASP A 44 10.503 -7.398 12.525 1.00 3.03 O ATOM 604 OD2 ASP A 44 11.109 -7.518 10.402 1.00 1.80 O ATOM 0 H ASP A 44 8.156 -5.073 12.903 1.00 0.92 H new ATOM 0 HA ASP A 44 8.979 -5.010 10.067 1.00 0.88 H new ATOM 0 HB2 ASP A 44 8.119 -7.536 11.527 1.00 1.18 H new ATOM 0 HB3 ASP A 44 8.656 -7.394 9.865 1.00 1.18 H new ATOM 609 N THR A 45 6.503 -4.568 9.658 1.00 0.76 N ATOM 610 CA THR A 45 5.080 -4.193 9.456 1.00 0.91 C ATOM 611 C THR A 45 4.652 -4.264 7.997 1.00 0.75 C ATOM 612 O THR A 45 5.496 -4.205 7.113 1.00 0.77 O ATOM 613 CB THR A 45 4.778 -2.791 10.004 1.00 1.35 C ATOM 614 OG1 THR A 45 5.575 -1.849 9.343 1.00 3.06 O ATOM 615 CG2 THR A 45 4.988 -2.671 11.511 1.00 1.46 C ATOM 0 H THR A 45 7.125 -4.213 8.931 1.00 0.76 H new ATOM 0 HA THR A 45 4.504 -4.930 10.015 1.00 0.91 H new ATOM 0 HB THR A 45 3.721 -2.602 9.819 1.00 1.35 H new ATOM 0 HG1 THR A 45 5.381 -0.954 9.692 1.00 3.06 H new ATOM 0 HG21 THR A 45 4.757 -1.655 11.831 1.00 1.46 H new ATOM 0 HG22 THR A 45 4.332 -3.372 12.027 1.00 1.46 H new ATOM 0 HG23 THR A 45 6.026 -2.900 11.753 1.00 1.46 H new ATOM 623 N ALA A 46 3.345 -4.323 7.733 1.00 0.86 N ATOM 624 CA ALA A 46 2.779 -4.280 6.379 1.00 0.92 C ATOM 625 C ALA A 46 1.482 -3.454 6.308 1.00 0.76 C ATOM 626 O ALA A 46 0.723 -3.372 7.281 1.00 0.76 O ATOM 627 CB ALA A 46 2.567 -5.716 5.880 1.00 1.12 C ATOM 0 H ALA A 46 2.638 -4.403 8.464 1.00 0.86 H new ATOM 0 HA ALA A 46 3.486 -3.771 5.724 1.00 0.92 H new ATOM 0 HB1 ALA A 46 2.147 -5.693 4.875 1.00 1.12 H new ATOM 0 HB2 ALA A 46 3.523 -6.240 5.862 1.00 1.12 H new ATOM 0 HB3 ALA A 46 1.881 -6.236 6.549 1.00 1.12 H new ATOM 633 N ALA A 47 1.250 -2.840 5.145 1.00 0.87 N ATOM 634 CA ALA A 47 0.152 -1.903 4.875 1.00 0.85 C ATOM 635 C ALA A 47 -0.836 -2.437 3.821 1.00 0.92 C ATOM 636 O ALA A 47 -0.446 -3.176 2.916 1.00 1.06 O ATOM 637 CB ALA A 47 0.752 -0.562 4.433 1.00 0.88 C ATOM 0 H ALA A 47 1.846 -2.987 4.330 1.00 0.87 H new ATOM 0 HA ALA A 47 -0.425 -1.774 5.791 1.00 0.85 H new ATOM 0 HB1 ALA A 47 -0.051 0.146 4.228 1.00 0.88 H new ATOM 0 HB2 ALA A 47 1.389 -0.169 5.226 1.00 0.88 H new ATOM 0 HB3 ALA A 47 1.345 -0.709 3.530 1.00 0.88 H new ATOM 643 N TYR A 48 -2.112 -2.071 3.985 1.00 1.00 N ATOM 644 CA TYR A 48 -3.266 -2.551 3.215 1.00 1.14 C ATOM 645 C TYR A 48 -4.106 -1.378 2.672 1.00 1.16 C ATOM 646 O TYR A 48 -4.349 -0.376 3.358 1.00 1.29 O ATOM 647 CB TYR A 48 -4.138 -3.457 4.110 1.00 1.46 C ATOM 648 CG TYR A 48 -3.629 -4.876 4.322 1.00 1.22 C ATOM 649 CD1 TYR A 48 -2.433 -5.124 5.027 1.00 2.15 C ATOM 650 CD2 TYR A 48 -4.380 -5.966 3.835 1.00 2.44 C ATOM 651 CE1 TYR A 48 -1.958 -6.440 5.186 1.00 2.87 C ATOM 652 CE2 TYR A 48 -3.932 -7.287 4.020 1.00 3.24 C ATOM 653 CZ TYR A 48 -2.707 -7.527 4.685 1.00 3.11 C ATOM 654 OH TYR A 48 -2.269 -8.801 4.870 1.00 4.26 O ATOM 0 H TYR A 48 -2.383 -1.394 4.698 1.00 1.00 H new ATOM 0 HA TYR A 48 -2.898 -3.120 2.361 1.00 1.14 H new ATOM 0 HB2 TYR A 48 -4.241 -2.980 5.085 1.00 1.46 H new ATOM 0 HB3 TYR A 48 -5.136 -3.512 3.675 1.00 1.46 H new ATOM 0 HD1 TYR A 48 -1.878 -4.299 5.448 1.00 2.15 H new ATOM 0 HD2 TYR A 48 -5.309 -5.785 3.315 1.00 2.44 H new ATOM 0 HE1 TYR A 48 -1.020 -6.618 5.691 1.00 2.87 H new ATOM 0 HE2 TYR A 48 -4.522 -8.115 3.655 1.00 3.24 H new ATOM 0 HH TYR A 48 -2.904 -9.427 4.463 1.00 4.26 H new ATOM 664 N MET A 49 -4.580 -1.514 1.429 1.00 1.18 N ATOM 665 CA MET A 49 -5.226 -0.488 0.602 1.00 1.34 C ATOM 666 C MET A 49 -6.076 -1.138 -0.526 1.00 1.24 C ATOM 667 O MET A 49 -5.939 -2.327 -0.823 1.00 1.32 O ATOM 668 CB MET A 49 -4.126 0.428 0.013 1.00 1.49 C ATOM 669 CG MET A 49 -3.567 1.516 0.942 1.00 2.40 C ATOM 670 SD MET A 49 -2.143 2.431 0.304 1.00 3.69 S ATOM 671 CE MET A 49 -2.923 3.423 -0.985 1.00 4.85 C ATOM 0 H MET A 49 -4.518 -2.407 0.939 1.00 1.18 H new ATOM 0 HA MET A 49 -5.907 0.104 1.213 1.00 1.34 H new ATOM 0 HB2 MET A 49 -3.297 -0.201 -0.313 1.00 1.49 H new ATOM 0 HB3 MET A 49 -4.527 0.913 -0.877 1.00 1.49 H new ATOM 0 HG2 MET A 49 -4.364 2.226 1.161 1.00 2.40 H new ATOM 0 HG3 MET A 49 -3.285 1.052 1.887 1.00 2.40 H new ATOM 0 HE1 MET A 49 -2.177 4.069 -1.448 1.00 4.85 H new ATOM 0 HE2 MET A 49 -3.353 2.765 -1.740 1.00 4.85 H new ATOM 0 HE3 MET A 49 -3.711 4.035 -0.546 1.00 4.85 H new ATOM 681 N THR A 50 -6.969 -0.368 -1.164 1.00 1.35 N ATOM 682 CA THR A 50 -7.873 -0.830 -2.234 1.00 1.25 C ATOM 683 C THR A 50 -8.424 0.366 -2.994 1.00 1.40 C ATOM 684 O THR A 50 -8.596 1.416 -2.383 1.00 1.82 O ATOM 685 CB THR A 50 -8.997 -1.693 -1.640 1.00 1.39 C ATOM 686 OG1 THR A 50 -9.385 -2.619 -2.616 1.00 2.34 O ATOM 687 CG2 THR A 50 -10.247 -0.950 -1.154 1.00 2.79 C ATOM 0 H THR A 50 -7.088 0.621 -0.946 1.00 1.35 H new ATOM 0 HA THR A 50 -7.319 -1.450 -2.939 1.00 1.25 H new ATOM 0 HB THR A 50 -8.574 -2.144 -0.742 1.00 1.39 H new ATOM 0 HG1 THR A 50 -10.102 -3.186 -2.262 1.00 2.34 H new ATOM 0 HG21 THR A 50 -10.965 -1.667 -0.757 1.00 2.79 H new ATOM 0 HG22 THR A 50 -9.969 -0.244 -0.371 1.00 2.79 H new ATOM 0 HG23 THR A 50 -10.696 -0.410 -1.987 1.00 2.79 H new ATOM 695 N LEU A 51 -8.723 0.238 -4.285 1.00 1.33 N ATOM 696 CA LEU A 51 -9.379 1.313 -5.033 1.00 1.46 C ATOM 697 C LEU A 51 -10.572 0.773 -5.816 1.00 1.36 C ATOM 698 O LEU A 51 -10.425 0.077 -6.828 1.00 1.87 O ATOM 699 CB LEU A 51 -8.361 2.042 -5.922 1.00 1.86 C ATOM 700 CG LEU A 51 -8.918 3.350 -6.525 1.00 2.79 C ATOM 701 CD1 LEU A 51 -9.187 4.426 -5.458 1.00 3.65 C ATOM 702 CD2 LEU A 51 -7.926 3.903 -7.556 1.00 3.77 C ATOM 0 H LEU A 51 -8.523 -0.597 -4.836 1.00 1.33 H new ATOM 0 HA LEU A 51 -9.774 2.050 -4.334 1.00 1.46 H new ATOM 0 HB2 LEU A 51 -7.471 2.269 -5.336 1.00 1.86 H new ATOM 0 HB3 LEU A 51 -8.051 1.379 -6.729 1.00 1.86 H new ATOM 0 HG LEU A 51 -9.870 3.107 -6.996 1.00 2.79 H new ATOM 0 HD11 LEU A 51 -9.577 5.324 -5.937 1.00 3.65 H new ATOM 0 HD12 LEU A 51 -9.916 4.052 -4.740 1.00 3.65 H new ATOM 0 HD13 LEU A 51 -8.258 4.665 -4.940 1.00 3.65 H new ATOM 0 HD21 LEU A 51 -8.320 4.826 -7.981 1.00 3.77 H new ATOM 0 HD22 LEU A 51 -6.971 4.105 -7.070 1.00 3.77 H new ATOM 0 HD23 LEU A 51 -7.781 3.171 -8.350 1.00 3.77 H new ATOM 714 N THR A 52 -11.764 1.119 -5.319 1.00 1.26 N ATOM 715 CA THR A 52 -13.047 0.823 -5.957 1.00 1.40 C ATOM 716 C THR A 52 -13.234 1.675 -7.211 1.00 1.38 C ATOM 717 O THR A 52 -12.631 2.733 -7.348 1.00 1.99 O ATOM 718 CB THR A 52 -14.183 1.029 -4.939 1.00 2.04 C ATOM 719 OG1 THR A 52 -15.260 0.207 -5.311 1.00 2.54 O ATOM 720 CG2 THR A 52 -14.709 2.465 -4.849 1.00 2.69 C ATOM 0 H THR A 52 -11.864 1.626 -4.439 1.00 1.26 H new ATOM 0 HA THR A 52 -13.066 -0.218 -6.279 1.00 1.40 H new ATOM 0 HB THR A 52 -13.765 0.783 -3.963 1.00 2.04 H new ATOM 0 HG1 THR A 52 -15.995 0.322 -4.673 1.00 2.54 H new ATOM 0 HG21 THR A 52 -15.506 2.515 -4.107 1.00 2.69 H new ATOM 0 HG22 THR A 52 -13.898 3.132 -4.555 1.00 2.69 H new ATOM 0 HG23 THR A 52 -15.097 2.772 -5.820 1.00 2.69 H new ATOM 728 N ASN A 53 -14.125 1.245 -8.094 1.00 1.51 N ATOM 729 CA ASN A 53 -14.629 2.064 -9.188 1.00 1.52 C ATOM 730 C ASN A 53 -16.071 1.662 -9.489 1.00 1.72 C ATOM 731 O ASN A 53 -16.411 0.479 -9.552 1.00 1.94 O ATOM 732 CB ASN A 53 -13.725 2.001 -10.427 1.00 1.49 C ATOM 733 CG ASN A 53 -13.234 0.607 -10.785 1.00 2.35 C ATOM 734 OD1 ASN A 53 -13.826 -0.082 -11.593 1.00 3.81 O ATOM 735 ND2 ASN A 53 -12.124 0.197 -10.213 1.00 2.97 N ATOM 0 H ASN A 53 -14.523 0.306 -8.070 1.00 1.51 H new ATOM 0 HA ASN A 53 -14.618 3.110 -8.882 1.00 1.52 H new ATOM 0 HB2 ASN A 53 -14.269 2.409 -11.278 1.00 1.49 H new ATOM 0 HB3 ASN A 53 -12.861 2.645 -10.263 1.00 1.49 H new ATOM 0 HD21 ASN A 53 -11.740 -0.719 -10.444 1.00 2.97 H new ATOM 0 HD22 ASN A 53 -11.647 0.795 -9.538 1.00 2.97 H new ATOM 742 N LYS A 54 -16.940 2.668 -9.659 1.00 1.83 N ATOM 743 CA LYS A 54 -18.394 2.471 -9.812 1.00 2.05 C ATOM 744 C LYS A 54 -18.984 3.277 -10.989 1.00 1.98 C ATOM 745 O LYS A 54 -20.182 3.533 -11.065 1.00 2.47 O ATOM 746 CB LYS A 54 -19.121 2.720 -8.466 1.00 2.53 C ATOM 747 CG LYS A 54 -18.711 1.691 -7.391 1.00 2.99 C ATOM 748 CD LYS A 54 -19.543 1.728 -6.099 1.00 3.57 C ATOM 749 CE LYS A 54 -20.999 1.283 -6.317 1.00 4.09 C ATOM 750 NZ LYS A 54 -21.712 1.046 -5.037 1.00 4.53 N ATOM 0 H LYS A 54 -16.656 3.647 -9.695 1.00 1.83 H new ATOM 0 HA LYS A 54 -18.566 1.428 -10.080 1.00 2.05 H new ATOM 0 HB2 LYS A 54 -18.894 3.725 -8.111 1.00 2.53 H new ATOM 0 HB3 LYS A 54 -20.199 2.673 -8.621 1.00 2.53 H new ATOM 0 HG2 LYS A 54 -18.782 0.692 -7.821 1.00 2.99 H new ATOM 0 HG3 LYS A 54 -17.664 1.854 -7.135 1.00 2.99 H new ATOM 0 HD2 LYS A 54 -19.078 1.083 -5.354 1.00 3.57 H new ATOM 0 HD3 LYS A 54 -19.534 2.740 -5.695 1.00 3.57 H new ATOM 0 HE2 LYS A 54 -21.528 2.045 -6.889 1.00 4.09 H new ATOM 0 HE3 LYS A 54 -21.013 0.370 -6.913 1.00 4.09 H new ATOM 0 HZ1 LYS A 54 -22.689 0.748 -5.234 1.00 4.53 H new ATOM 0 HZ2 LYS A 54 -21.224 0.300 -4.501 1.00 4.53 H new ATOM 0 HZ3 LYS A 54 -21.723 1.923 -4.478 1.00 4.53 H new ATOM 764 N SER A 55 -18.142 3.652 -11.945 1.00 1.64 N ATOM 765 CA SER A 55 -18.540 4.146 -13.278 1.00 1.84 C ATOM 766 C SER A 55 -17.468 3.731 -14.303 1.00 1.89 C ATOM 767 O SER A 55 -17.605 2.673 -14.920 1.00 3.08 O ATOM 768 CB SER A 55 -18.813 5.669 -13.279 1.00 2.24 C ATOM 769 OG SER A 55 -19.720 6.061 -12.260 1.00 2.31 O ATOM 0 H SER A 55 -17.130 3.624 -11.820 1.00 1.64 H new ATOM 0 HA SER A 55 -19.488 3.689 -13.562 1.00 1.84 H new ATOM 0 HB2 SER A 55 -17.872 6.203 -13.148 1.00 2.24 H new ATOM 0 HB3 SER A 55 -19.214 5.962 -14.249 1.00 2.24 H new ATOM 0 HG SER A 55 -20.097 5.263 -11.833 1.00 2.31 H new ATOM 775 N ASP A 56 -16.387 4.523 -14.416 1.00 1.39 N ATOM 776 CA ASP A 56 -15.427 4.527 -15.529 1.00 1.44 C ATOM 777 C ASP A 56 -14.272 5.542 -15.334 1.00 1.50 C ATOM 778 O ASP A 56 -13.652 5.942 -16.313 1.00 1.92 O ATOM 779 CB ASP A 56 -16.181 4.744 -16.864 1.00 1.76 C ATOM 780 CG ASP A 56 -17.174 5.923 -16.864 1.00 2.99 C ATOM 781 OD1 ASP A 56 -17.004 6.890 -16.078 1.00 4.36 O ATOM 782 OD2 ASP A 56 -18.172 5.797 -17.617 1.00 3.65 O ATOM 0 H ASP A 56 -16.150 5.209 -13.699 1.00 1.39 H new ATOM 0 HA ASP A 56 -14.941 3.552 -15.555 1.00 1.44 H new ATOM 0 HB2 ASP A 56 -15.449 4.904 -17.656 1.00 1.76 H new ATOM 0 HB3 ASP A 56 -16.723 3.831 -17.111 1.00 1.76 H new ATOM 787 N GLN A 57 -13.951 5.936 -14.091 1.00 1.49 N ATOM 788 CA GLN A 57 -12.804 6.816 -13.806 1.00 1.62 C ATOM 789 C GLN A 57 -11.539 5.968 -13.554 1.00 1.57 C ATOM 790 O GLN A 57 -11.456 5.359 -12.484 1.00 1.72 O ATOM 791 CB GLN A 57 -13.049 7.718 -12.568 1.00 1.90 C ATOM 792 CG GLN A 57 -14.228 8.715 -12.640 1.00 2.09 C ATOM 793 CD GLN A 57 -13.919 10.092 -12.019 1.00 2.76 C ATOM 794 OE1 GLN A 57 -12.908 10.734 -12.280 1.00 3.35 O ATOM 795 NE2 GLN A 57 -14.753 10.624 -11.134 1.00 3.35 N ATOM 0 H GLN A 57 -14.474 5.657 -13.261 1.00 1.49 H new ATOM 0 HA GLN A 57 -12.671 7.457 -14.677 1.00 1.62 H new ATOM 0 HB2 GLN A 57 -13.206 7.071 -11.705 1.00 1.90 H new ATOM 0 HB3 GLN A 57 -12.138 8.286 -12.379 1.00 1.90 H new ATOM 0 HG2 GLN A 57 -14.511 8.853 -13.683 1.00 2.09 H new ATOM 0 HG3 GLN A 57 -15.089 8.282 -12.130 1.00 2.09 H new ATOM 0 HE21 GLN A 57 -15.610 10.132 -10.880 1.00 3.35 H new ATOM 0 HE22 GLN A 57 -14.537 11.525 -10.708 1.00 3.35 H new ATOM 804 N PRO A 58 -10.531 5.934 -14.451 1.00 1.55 N ATOM 805 CA PRO A 58 -9.231 5.362 -14.124 1.00 1.64 C ATOM 806 C PRO A 58 -8.378 6.364 -13.344 1.00 1.70 C ATOM 807 O PRO A 58 -8.283 7.532 -13.714 1.00 2.12 O ATOM 808 CB PRO A 58 -8.558 5.046 -15.457 1.00 1.82 C ATOM 809 CG PRO A 58 -9.132 6.115 -16.393 1.00 1.85 C ATOM 810 CD PRO A 58 -10.540 6.370 -15.843 1.00 1.64 C ATOM 0 HA PRO A 58 -9.344 4.474 -13.503 1.00 1.64 H new ATOM 0 HB2 PRO A 58 -7.472 5.112 -15.387 1.00 1.82 H new ATOM 0 HB3 PRO A 58 -8.795 4.039 -15.800 1.00 1.82 H new ATOM 0 HG2 PRO A 58 -8.528 7.022 -16.381 1.00 1.85 H new ATOM 0 HG3 PRO A 58 -9.163 5.767 -17.425 1.00 1.85 H new ATOM 0 HD2 PRO A 58 -10.799 7.426 -15.916 1.00 1.64 H new ATOM 0 HD3 PRO A 58 -11.285 5.819 -16.416 1.00 1.64 H new ATOM 818 N ILE A 59 -7.690 5.892 -12.302 1.00 1.51 N ATOM 819 CA ILE A 59 -6.648 6.689 -11.620 1.00 1.55 C ATOM 820 C ILE A 59 -5.250 6.110 -11.902 1.00 1.50 C ATOM 821 O ILE A 59 -5.048 4.908 -11.740 1.00 1.92 O ATOM 822 CB ILE A 59 -6.956 6.811 -10.106 1.00 1.93 C ATOM 823 CG1 ILE A 59 -8.333 7.504 -9.925 1.00 2.39 C ATOM 824 CG2 ILE A 59 -5.833 7.579 -9.380 1.00 2.21 C ATOM 825 CD1 ILE A 59 -8.722 7.869 -8.487 1.00 3.47 C ATOM 0 H ILE A 59 -7.830 4.962 -11.906 1.00 1.51 H new ATOM 0 HA ILE A 59 -6.654 7.702 -12.023 1.00 1.55 H new ATOM 0 HB ILE A 59 -7.002 5.818 -9.659 1.00 1.93 H new ATOM 0 HG12 ILE A 59 -8.340 8.415 -10.524 1.00 2.39 H new ATOM 0 HG13 ILE A 59 -9.103 6.849 -10.333 1.00 2.39 H new ATOM 0 HG21 ILE A 59 -6.070 7.653 -8.319 1.00 2.21 H new ATOM 0 HG22 ILE A 59 -4.889 7.048 -9.505 1.00 2.21 H new ATOM 0 HG23 ILE A 59 -5.745 8.580 -9.802 1.00 2.21 H new ATOM 0 HD11 ILE A 59 -9.702 8.347 -8.485 1.00 3.47 H new ATOM 0 HD12 ILE A 59 -8.758 6.965 -7.879 1.00 3.47 H new ATOM 0 HD13 ILE A 59 -7.983 8.555 -8.073 1.00 3.47 H new ATOM 837 N LYS A 60 -4.282 6.965 -12.266 1.00 1.41 N ATOM 838 CA LYS A 60 -2.855 6.621 -12.377 1.00 1.67 C ATOM 839 C LYS A 60 -2.053 7.109 -11.149 1.00 1.32 C ATOM 840 O LYS A 60 -2.205 8.264 -10.747 1.00 1.49 O ATOM 841 CB LYS A 60 -2.289 7.171 -13.710 1.00 2.43 C ATOM 842 CG LYS A 60 -2.413 8.702 -13.893 1.00 3.24 C ATOM 843 CD LYS A 60 -1.746 9.234 -15.172 1.00 4.19 C ATOM 844 CE LYS A 60 -2.443 8.766 -16.456 1.00 4.79 C ATOM 845 NZ LYS A 60 -1.757 9.302 -17.653 1.00 5.64 N ATOM 0 H LYS A 60 -4.474 7.940 -12.497 1.00 1.41 H new ATOM 0 HA LYS A 60 -2.753 5.536 -12.388 1.00 1.67 H new ATOM 0 HB2 LYS A 60 -1.237 6.896 -13.781 1.00 2.43 H new ATOM 0 HB3 LYS A 60 -2.803 6.679 -14.536 1.00 2.43 H new ATOM 0 HG2 LYS A 60 -3.469 8.972 -13.907 1.00 3.24 H new ATOM 0 HG3 LYS A 60 -1.969 9.198 -13.030 1.00 3.24 H new ATOM 0 HD2 LYS A 60 -1.741 10.324 -15.145 1.00 4.19 H new ATOM 0 HD3 LYS A 60 -0.705 8.911 -15.193 1.00 4.19 H new ATOM 0 HE2 LYS A 60 -2.452 7.677 -16.494 1.00 4.79 H new ATOM 0 HE3 LYS A 60 -3.483 9.093 -16.450 1.00 4.79 H new ATOM 0 HZ1 LYS A 60 -2.246 8.973 -18.510 1.00 5.64 H new ATOM 0 HZ2 LYS A 60 -1.771 10.342 -17.625 1.00 5.64 H new ATOM 0 HZ3 LYS A 60 -0.772 8.969 -17.667 1.00 5.64 H new ATOM 859 N LEU A 61 -1.154 6.278 -10.596 1.00 1.39 N ATOM 860 CA LEU A 61 -0.338 6.553 -9.395 1.00 1.23 C ATOM 861 C LEU A 61 0.680 5.409 -9.199 1.00 1.17 C ATOM 862 O LEU A 61 0.351 4.261 -9.493 1.00 1.61 O ATOM 863 CB LEU A 61 -1.256 6.791 -8.162 1.00 1.47 C ATOM 864 CG LEU A 61 -0.574 7.425 -6.932 1.00 1.80 C ATOM 865 CD1 LEU A 61 -1.590 8.172 -6.061 1.00 2.37 C ATOM 866 CD2 LEU A 61 0.197 6.413 -6.081 1.00 3.20 C ATOM 0 H LEU A 61 -0.966 5.356 -10.988 1.00 1.39 H new ATOM 0 HA LEU A 61 0.235 7.471 -9.522 1.00 1.23 H new ATOM 0 HB2 LEU A 61 -2.083 7.432 -8.466 1.00 1.47 H new ATOM 0 HB3 LEU A 61 -1.687 5.835 -7.863 1.00 1.47 H new ATOM 0 HG LEU A 61 0.154 8.133 -7.328 1.00 1.80 H new ATOM 0 HD11 LEU A 61 -1.081 8.609 -5.202 1.00 2.37 H new ATOM 0 HD12 LEU A 61 -2.058 8.964 -6.646 1.00 2.37 H new ATOM 0 HD13 LEU A 61 -2.354 7.476 -5.715 1.00 2.37 H new ATOM 0 HD21 LEU A 61 0.653 6.923 -5.232 1.00 3.20 H new ATOM 0 HD22 LEU A 61 -0.487 5.646 -5.718 1.00 3.20 H new ATOM 0 HD23 LEU A 61 0.976 5.948 -6.685 1.00 3.20 H new ATOM 878 N VAL A 62 1.898 5.706 -8.724 1.00 1.10 N ATOM 879 CA VAL A 62 2.961 4.694 -8.557 1.00 1.18 C ATOM 880 C VAL A 62 2.591 3.723 -7.423 1.00 1.07 C ATOM 881 O VAL A 62 2.214 2.590 -7.695 1.00 1.72 O ATOM 882 CB VAL A 62 4.343 5.353 -8.338 1.00 1.65 C ATOM 883 CG1 VAL A 62 5.458 4.318 -8.107 1.00 2.59 C ATOM 884 CG2 VAL A 62 4.734 6.226 -9.549 1.00 2.10 C ATOM 0 H VAL A 62 2.177 6.647 -8.445 1.00 1.10 H new ATOM 0 HA VAL A 62 3.041 4.117 -9.478 1.00 1.18 H new ATOM 0 HB VAL A 62 4.246 5.968 -7.443 1.00 1.65 H new ATOM 0 HG11 VAL A 62 6.407 4.833 -7.959 1.00 2.59 H new ATOM 0 HG12 VAL A 62 5.226 3.724 -7.223 1.00 2.59 H new ATOM 0 HG13 VAL A 62 5.532 3.663 -8.975 1.00 2.59 H new ATOM 0 HG21 VAL A 62 5.709 6.679 -9.371 1.00 2.10 H new ATOM 0 HG22 VAL A 62 4.779 5.606 -10.445 1.00 2.10 H new ATOM 0 HG23 VAL A 62 3.990 7.010 -9.688 1.00 2.10 H new ATOM 894 N GLY A 63 2.608 4.184 -6.165 1.00 1.39 N ATOM 895 CA GLY A 63 2.042 3.466 -5.015 1.00 1.29 C ATOM 896 C GLY A 63 2.647 3.876 -3.677 1.00 1.16 C ATOM 897 O GLY A 63 3.221 4.957 -3.567 1.00 1.68 O ATOM 0 H GLY A 63 3.022 5.081 -5.914 1.00 1.39 H new ATOM 0 HA2 GLY A 63 0.966 3.638 -4.985 1.00 1.29 H new ATOM 0 HA3 GLY A 63 2.190 2.396 -5.158 1.00 1.29 H new ATOM 901 N ALA A 64 2.417 3.052 -2.651 1.00 1.00 N ATOM 902 CA ALA A 64 2.633 3.376 -1.236 1.00 1.08 C ATOM 903 C ALA A 64 4.095 3.242 -0.760 1.00 0.95 C ATOM 904 O ALA A 64 4.683 2.163 -0.824 1.00 1.19 O ATOM 905 CB ALA A 64 1.715 2.444 -0.431 1.00 1.66 C ATOM 0 H ALA A 64 2.062 2.105 -2.787 1.00 1.00 H new ATOM 0 HA ALA A 64 2.400 4.430 -1.084 1.00 1.08 H new ATOM 0 HB1 ALA A 64 1.837 2.644 0.634 1.00 1.66 H new ATOM 0 HB2 ALA A 64 0.678 2.619 -0.717 1.00 1.66 H new ATOM 0 HB3 ALA A 64 1.978 1.407 -0.638 1.00 1.66 H new ATOM 911 N ALA A 65 4.640 4.321 -0.195 1.00 0.80 N ATOM 912 CA ALA A 65 5.969 4.361 0.420 1.00 0.82 C ATOM 913 C ALA A 65 5.989 5.144 1.752 1.00 0.84 C ATOM 914 O ALA A 65 5.050 5.873 2.103 1.00 0.88 O ATOM 915 CB ALA A 65 6.948 4.956 -0.602 1.00 0.92 C ATOM 0 H ALA A 65 4.155 5.217 -0.151 1.00 0.80 H new ATOM 0 HA ALA A 65 6.269 3.346 0.682 1.00 0.82 H new ATOM 0 HB1 ALA A 65 7.947 4.997 -0.168 1.00 0.92 H new ATOM 0 HB2 ALA A 65 6.966 4.331 -1.495 1.00 0.92 H new ATOM 0 HB3 ALA A 65 6.627 5.963 -0.870 1.00 0.92 H new ATOM 921 N THR A 66 7.106 5.016 2.490 1.00 0.90 N ATOM 922 CA THR A 66 7.385 5.703 3.765 1.00 1.05 C ATOM 923 C THR A 66 8.834 5.448 4.220 1.00 1.12 C ATOM 924 O THR A 66 9.273 4.298 4.180 1.00 1.11 O ATOM 925 CB THR A 66 6.370 5.313 4.854 1.00 1.16 C ATOM 926 OG1 THR A 66 6.705 5.981 6.046 1.00 1.50 O ATOM 927 CG2 THR A 66 6.317 3.811 5.142 1.00 1.20 C ATOM 0 H THR A 66 7.871 4.406 2.203 1.00 0.90 H new ATOM 0 HA THR A 66 7.273 6.774 3.597 1.00 1.05 H new ATOM 0 HB THR A 66 5.387 5.601 4.481 1.00 1.16 H new ATOM 0 HG1 THR A 66 6.063 5.741 6.747 1.00 1.50 H new ATOM 0 HG21 THR A 66 5.579 3.616 5.920 1.00 1.20 H new ATOM 0 HG22 THR A 66 6.038 3.276 4.234 1.00 1.20 H new ATOM 0 HG23 THR A 66 7.297 3.470 5.477 1.00 1.20 H new ATOM 935 N PRO A 67 9.586 6.483 4.652 1.00 1.38 N ATOM 936 CA PRO A 67 10.956 6.349 5.147 1.00 1.52 C ATOM 937 C PRO A 67 11.017 5.963 6.637 1.00 1.42 C ATOM 938 O PRO A 67 12.093 5.988 7.230 1.00 1.52 O ATOM 939 CB PRO A 67 11.579 7.724 4.901 1.00 1.90 C ATOM 940 CG PRO A 67 10.405 8.653 5.197 1.00 1.97 C ATOM 941 CD PRO A 67 9.213 7.892 4.622 1.00 1.67 C ATOM 0 HA PRO A 67 11.488 5.545 4.638 1.00 1.52 H new ATOM 0 HB2 PRO A 67 12.427 7.913 5.560 1.00 1.90 H new ATOM 0 HB3 PRO A 67 11.939 7.833 3.878 1.00 1.90 H new ATOM 0 HG2 PRO A 67 10.292 8.833 6.266 1.00 1.97 H new ATOM 0 HG3 PRO A 67 10.530 9.626 4.722 1.00 1.97 H new ATOM 0 HD2 PRO A 67 8.314 8.071 5.212 1.00 1.67 H new ATOM 0 HD3 PRO A 67 8.996 8.217 3.604 1.00 1.67 H new ATOM 949 N LEU A 68 9.881 5.636 7.273 1.00 1.31 N ATOM 950 CA LEU A 68 9.823 5.264 8.694 1.00 1.25 C ATOM 951 C LEU A 68 10.483 3.900 8.983 1.00 1.20 C ATOM 952 O LEU A 68 10.777 3.608 10.143 1.00 1.29 O ATOM 953 CB LEU A 68 8.352 5.306 9.157 1.00 1.34 C ATOM 954 CG LEU A 68 7.861 6.688 9.647 1.00 1.63 C ATOM 955 CD1 LEU A 68 8.123 7.860 8.686 1.00 2.82 C ATOM 956 CD2 LEU A 68 6.356 6.609 9.945 1.00 2.15 C ATOM 0 H LEU A 68 8.971 5.622 6.812 1.00 1.31 H new ATOM 0 HA LEU A 68 10.404 5.986 9.267 1.00 1.25 H new ATOM 0 HB2 LEU A 68 7.718 4.983 8.332 1.00 1.34 H new ATOM 0 HB3 LEU A 68 8.219 4.583 9.962 1.00 1.34 H new ATOM 0 HG LEU A 68 8.448 6.907 10.539 1.00 1.63 H new ATOM 0 HD11 LEU A 68 7.741 8.782 9.124 1.00 2.82 H new ATOM 0 HD12 LEU A 68 9.195 7.957 8.514 1.00 2.82 H new ATOM 0 HD13 LEU A 68 7.619 7.673 7.738 1.00 2.82 H new ATOM 0 HD21 LEU A 68 6.002 7.580 10.291 1.00 2.15 H new ATOM 0 HD22 LEU A 68 5.820 6.330 9.038 1.00 2.15 H new ATOM 0 HD23 LEU A 68 6.177 5.861 10.717 1.00 2.15 H new ATOM 968 N ALA A 69 10.754 3.100 7.949 1.00 1.28 N ATOM 969 CA ALA A 69 11.549 1.877 8.014 1.00 1.36 C ATOM 970 C ALA A 69 12.873 2.038 7.255 1.00 1.31 C ATOM 971 O ALA A 69 12.927 2.744 6.245 1.00 1.42 O ATOM 972 CB ALA A 69 10.708 0.742 7.421 1.00 1.55 C ATOM 0 H ALA A 69 10.411 3.296 7.009 1.00 1.28 H new ATOM 0 HA ALA A 69 11.807 1.652 9.049 1.00 1.36 H new ATOM 0 HB1 ALA A 69 11.276 -0.188 7.455 1.00 1.55 H new ATOM 0 HB2 ALA A 69 9.791 0.629 7.999 1.00 1.55 H new ATOM 0 HB3 ALA A 69 10.458 0.977 6.386 1.00 1.55 H new ATOM 978 N THR A 70 13.918 1.344 7.722 1.00 1.32 N ATOM 979 CA THR A 70 15.256 1.283 7.106 1.00 1.38 C ATOM 980 C THR A 70 15.220 0.636 5.725 1.00 1.27 C ATOM 981 O THR A 70 16.110 0.869 4.911 1.00 1.52 O ATOM 982 CB THR A 70 16.197 0.567 8.087 1.00 1.51 C ATOM 983 OG1 THR A 70 16.347 1.434 9.187 1.00 1.77 O ATOM 984 CG2 THR A 70 17.594 0.247 7.555 1.00 1.93 C ATOM 0 H THR A 70 13.856 0.786 8.574 1.00 1.32 H new ATOM 0 HA THR A 70 15.634 2.290 6.927 1.00 1.38 H new ATOM 0 HB THR A 70 15.745 -0.399 8.315 1.00 1.51 H new ATOM 0 HG1 THR A 70 16.941 1.023 9.849 1.00 1.77 H new ATOM 0 HG21 THR A 70 18.172 -0.257 8.330 1.00 1.93 H new ATOM 0 HG22 THR A 70 17.512 -0.402 6.684 1.00 1.93 H new ATOM 0 HG23 THR A 70 18.096 1.172 7.272 1.00 1.93 H new ATOM 992 N SER A 71 14.191 -0.151 5.415 1.00 1.03 N ATOM 993 CA SER A 71 13.933 -0.689 4.078 1.00 1.05 C ATOM 994 C SER A 71 12.413 -0.747 3.779 1.00 0.95 C ATOM 995 O SER A 71 11.746 -1.707 4.182 1.00 0.88 O ATOM 996 CB SER A 71 14.598 -2.074 3.972 1.00 1.12 C ATOM 997 OG SER A 71 15.991 -1.997 4.267 1.00 2.05 O ATOM 0 H SER A 71 13.496 -0.440 6.103 1.00 1.03 H new ATOM 0 HA SER A 71 14.364 -0.030 3.324 1.00 1.05 H new ATOM 0 HB2 SER A 71 14.115 -2.767 4.661 1.00 1.12 H new ATOM 0 HB3 SER A 71 14.457 -2.473 2.967 1.00 1.12 H new ATOM 0 HG SER A 71 16.390 -2.889 4.195 1.00 2.05 H new ATOM 1003 N PRO A 72 11.832 0.260 3.088 1.00 1.02 N ATOM 1004 CA PRO A 72 10.483 0.149 2.542 1.00 1.00 C ATOM 1005 C PRO A 72 10.509 -0.832 1.367 1.00 0.93 C ATOM 1006 O PRO A 72 11.025 -0.538 0.288 1.00 1.00 O ATOM 1007 CB PRO A 72 10.067 1.566 2.147 1.00 1.17 C ATOM 1008 CG PRO A 72 11.392 2.270 1.869 1.00 1.26 C ATOM 1009 CD PRO A 72 12.381 1.583 2.810 1.00 1.19 C ATOM 0 HA PRO A 72 9.755 -0.245 3.251 1.00 1.00 H new ATOM 0 HB2 PRO A 72 9.423 1.563 1.268 1.00 1.17 H new ATOM 0 HB3 PRO A 72 9.513 2.058 2.946 1.00 1.17 H new ATOM 0 HG2 PRO A 72 11.691 2.160 0.827 1.00 1.26 H new ATOM 0 HG3 PRO A 72 11.326 3.339 2.071 1.00 1.26 H new ATOM 0 HD2 PRO A 72 13.366 1.506 2.350 1.00 1.19 H new ATOM 0 HD3 PRO A 72 12.503 2.154 3.730 1.00 1.19 H new ATOM 1017 N MET A 73 9.994 -2.038 1.610 1.00 0.98 N ATOM 1018 CA MET A 73 10.099 -3.188 0.720 1.00 0.98 C ATOM 1019 C MET A 73 8.771 -3.417 -0.001 1.00 0.96 C ATOM 1020 O MET A 73 7.707 -3.341 0.607 1.00 1.11 O ATOM 1021 CB MET A 73 10.524 -4.399 1.565 1.00 1.02 C ATOM 1022 CG MET A 73 11.110 -5.529 0.706 1.00 1.11 C ATOM 1023 SD MET A 73 12.618 -5.087 -0.198 1.00 2.32 S ATOM 1024 CE MET A 73 12.783 -6.544 -1.256 1.00 2.47 C ATOM 0 H MET A 73 9.474 -2.245 2.463 1.00 0.98 H new ATOM 0 HA MET A 73 10.847 -3.020 -0.055 1.00 0.98 H new ATOM 0 HB2 MET A 73 11.263 -4.084 2.302 1.00 1.02 H new ATOM 0 HB3 MET A 73 9.663 -4.774 2.118 1.00 1.02 H new ATOM 0 HG2 MET A 73 11.325 -6.382 1.349 1.00 1.11 H new ATOM 0 HG3 MET A 73 10.355 -5.852 -0.010 1.00 1.11 H new ATOM 0 HE1 MET A 73 13.667 -6.439 -1.884 1.00 2.47 H new ATOM 0 HE2 MET A 73 12.882 -7.435 -0.636 1.00 2.47 H new ATOM 0 HE3 MET A 73 11.899 -6.638 -1.887 1.00 2.47 H new ATOM 1034 N LEU A 74 8.818 -3.670 -1.305 1.00 1.13 N ATOM 1035 CA LEU A 74 7.651 -3.510 -2.171 1.00 1.22 C ATOM 1036 C LEU A 74 7.506 -4.711 -3.114 1.00 1.25 C ATOM 1037 O LEU A 74 8.291 -4.900 -4.041 1.00 1.36 O ATOM 1038 CB LEU A 74 7.750 -2.106 -2.806 1.00 1.53 C ATOM 1039 CG LEU A 74 8.790 -1.840 -3.923 1.00 2.37 C ATOM 1040 CD1 LEU A 74 8.760 -0.344 -4.279 1.00 2.23 C ATOM 1041 CD2 LEU A 74 10.244 -2.206 -3.572 1.00 3.91 C ATOM 0 H LEU A 74 9.657 -3.989 -1.790 1.00 1.13 H new ATOM 0 HA LEU A 74 6.702 -3.531 -1.635 1.00 1.22 H new ATOM 0 HB2 LEU A 74 6.768 -1.862 -3.211 1.00 1.53 H new ATOM 0 HB3 LEU A 74 7.948 -1.398 -2.001 1.00 1.53 H new ATOM 0 HG LEU A 74 8.498 -2.489 -4.749 1.00 2.37 H new ATOM 0 HD11 LEU A 74 9.488 -0.142 -5.065 1.00 2.23 H new ATOM 0 HD12 LEU A 74 7.764 -0.073 -4.629 1.00 2.23 H new ATOM 0 HD13 LEU A 74 9.007 0.245 -3.396 1.00 2.23 H new ATOM 0 HD21 LEU A 74 10.891 -1.981 -4.420 1.00 3.91 H new ATOM 0 HD22 LEU A 74 10.566 -1.627 -2.707 1.00 3.91 H new ATOM 0 HD23 LEU A 74 10.306 -3.269 -3.340 1.00 3.91 H new ATOM 1053 N MET A 75 6.551 -5.602 -2.818 1.00 1.34 N ATOM 1054 CA MET A 75 6.553 -6.976 -3.339 1.00 1.70 C ATOM 1055 C MET A 75 5.147 -7.473 -3.651 1.00 1.80 C ATOM 1056 O MET A 75 4.364 -7.824 -2.765 1.00 2.27 O ATOM 1057 CB MET A 75 7.235 -7.927 -2.336 1.00 1.94 C ATOM 1058 CG MET A 75 8.723 -7.626 -2.124 1.00 2.94 C ATOM 1059 SD MET A 75 9.629 -8.904 -1.211 1.00 3.10 S ATOM 1060 CE MET A 75 8.803 -8.828 0.403 1.00 3.82 C ATOM 0 H MET A 75 5.757 -5.392 -2.213 1.00 1.34 H new ATOM 0 HA MET A 75 7.115 -6.966 -4.273 1.00 1.70 H new ATOM 0 HB2 MET A 75 6.719 -7.863 -1.378 1.00 1.94 H new ATOM 0 HB3 MET A 75 7.126 -8.953 -2.688 1.00 1.94 H new ATOM 0 HG2 MET A 75 9.195 -7.490 -3.097 1.00 2.94 H new ATOM 0 HG3 MET A 75 8.816 -6.681 -1.589 1.00 2.94 H new ATOM 0 HE1 MET A 75 9.297 -9.508 1.097 1.00 3.82 H new ATOM 0 HE2 MET A 75 8.856 -7.811 0.791 1.00 3.82 H new ATOM 0 HE3 MET A 75 7.759 -9.120 0.291 1.00 3.82 H new ATOM 1070 N THR A 76 4.851 -7.524 -4.950 1.00 1.64 N ATOM 1071 CA THR A 76 3.489 -7.610 -5.459 1.00 1.60 C ATOM 1072 C THR A 76 3.372 -8.733 -6.494 1.00 1.56 C ATOM 1073 O THR A 76 4.146 -8.789 -7.453 1.00 1.74 O ATOM 1074 CB THR A 76 3.089 -6.226 -5.987 1.00 2.12 C ATOM 1075 OG1 THR A 76 3.912 -5.908 -7.086 1.00 3.93 O ATOM 1076 CG2 THR A 76 3.335 -5.127 -4.951 1.00 3.13 C ATOM 0 H THR A 76 5.560 -7.506 -5.683 1.00 1.64 H new ATOM 0 HA THR A 76 2.786 -7.878 -4.671 1.00 1.60 H new ATOM 0 HB THR A 76 2.030 -6.270 -6.241 1.00 2.12 H new ATOM 0 HG1 THR A 76 3.355 -5.752 -7.877 1.00 3.93 H new ATOM 0 HG21 THR A 76 3.038 -4.163 -5.365 1.00 3.13 H new ATOM 0 HG22 THR A 76 2.748 -5.333 -4.056 1.00 3.13 H new ATOM 0 HG23 THR A 76 4.394 -5.101 -4.693 1.00 3.13 H new ATOM 1084 N THR A 77 2.475 -9.688 -6.226 1.00 1.57 N ATOM 1085 CA THR A 77 2.194 -10.857 -7.074 1.00 1.61 C ATOM 1086 C THR A 77 1.145 -10.400 -8.090 1.00 1.94 C ATOM 1087 O THR A 77 1.293 -9.348 -8.694 1.00 3.24 O ATOM 1088 CB THR A 77 1.730 -12.065 -6.226 1.00 1.66 C ATOM 1089 OG1 THR A 77 2.461 -12.142 -5.026 1.00 2.15 O ATOM 1090 CG2 THR A 77 1.954 -13.403 -6.936 1.00 2.53 C ATOM 0 H THR A 77 1.902 -9.670 -5.382 1.00 1.57 H new ATOM 0 HA THR A 77 3.087 -11.208 -7.592 1.00 1.61 H new ATOM 0 HB THR A 77 0.667 -11.902 -6.051 1.00 1.66 H new ATOM 0 HG1 THR A 77 2.152 -12.911 -4.503 1.00 2.15 H new ATOM 0 HG21 THR A 77 1.611 -14.216 -6.296 1.00 2.53 H new ATOM 0 HG22 THR A 77 1.395 -13.417 -7.872 1.00 2.53 H new ATOM 0 HG23 THR A 77 3.016 -13.530 -7.146 1.00 2.53 H new ATOM 1098 N THR A 78 0.051 -11.135 -8.239 1.00 1.73 N ATOM 1099 CA THR A 78 -1.117 -10.762 -9.034 1.00 2.17 C ATOM 1100 C THR A 78 -2.318 -11.526 -8.533 1.00 2.21 C ATOM 1101 O THR A 78 -2.184 -12.705 -8.215 1.00 3.23 O ATOM 1102 CB THR A 78 -0.943 -11.171 -10.490 1.00 3.42 C ATOM 1103 OG1 THR A 78 -0.531 -12.517 -10.495 1.00 4.14 O ATOM 1104 CG2 THR A 78 0.025 -10.307 -11.293 1.00 4.62 C ATOM 0 H THR A 78 -0.054 -12.046 -7.792 1.00 1.73 H new ATOM 0 HA THR A 78 -1.240 -9.682 -8.950 1.00 2.17 H new ATOM 0 HB THR A 78 -1.900 -11.028 -10.992 1.00 3.42 H new ATOM 0 HG1 THR A 78 -0.870 -12.966 -9.693 1.00 4.14 H new ATOM 0 HG21 THR A 78 0.081 -10.678 -12.316 1.00 4.62 H new ATOM 0 HG22 THR A 78 -0.327 -9.276 -11.299 1.00 4.62 H new ATOM 0 HG23 THR A 78 1.014 -10.349 -10.837 1.00 4.62 H new ATOM 1112 N HIS A 79 -3.492 -10.915 -8.634 1.00 2.50 N ATOM 1113 CA HIS A 79 -4.772 -11.619 -8.597 1.00 3.32 C ATOM 1114 C HIS A 79 -5.898 -10.742 -9.202 1.00 3.28 C ATOM 1115 O HIS A 79 -6.955 -10.544 -8.604 1.00 4.58 O ATOM 1116 CB HIS A 79 -5.069 -12.058 -7.143 1.00 4.93 C ATOM 1117 CG HIS A 79 -6.214 -13.024 -6.962 1.00 5.49 C ATOM 1118 ND1 HIS A 79 -6.797 -13.363 -5.760 1.00 6.71 N ATOM 1119 CD2 HIS A 79 -6.825 -13.782 -7.927 1.00 5.46 C ATOM 1120 CE1 HIS A 79 -7.689 -14.338 -5.991 1.00 7.16 C ATOM 1121 NE2 HIS A 79 -7.759 -14.620 -7.306 1.00 6.52 N ATOM 0 H HIS A 79 -3.585 -9.905 -8.745 1.00 2.50 H new ATOM 0 HA HIS A 79 -4.722 -12.517 -9.213 1.00 3.32 H new ATOM 0 HB2 HIS A 79 -4.168 -12.513 -6.731 1.00 4.93 H new ATOM 0 HB3 HIS A 79 -5.275 -11.166 -6.551 1.00 4.93 H new ATOM 0 HD1 HIS A 79 -6.587 -12.946 -4.853 1.00 6.71 H new ATOM 0 HD2 HIS A 79 -6.621 -13.740 -8.987 1.00 5.46 H new ATOM 0 HE1 HIS A 79 -8.272 -14.830 -5.226 1.00 7.16 H new ATOM 1129 N SER A 80 -5.649 -10.134 -10.368 1.00 2.35 N ATOM 1130 CA SER A 80 -6.591 -9.188 -10.995 1.00 2.72 C ATOM 1131 C SER A 80 -7.067 -9.731 -12.350 1.00 2.72 C ATOM 1132 O SER A 80 -6.283 -10.352 -13.064 1.00 3.54 O ATOM 1133 CB SER A 80 -5.954 -7.793 -11.160 1.00 3.25 C ATOM 1134 OG SER A 80 -5.703 -7.175 -9.908 1.00 4.33 O ATOM 0 H SER A 80 -4.794 -10.280 -10.905 1.00 2.35 H new ATOM 0 HA SER A 80 -7.454 -9.083 -10.338 1.00 2.72 H new ATOM 0 HB2 SER A 80 -5.020 -7.884 -11.714 1.00 3.25 H new ATOM 0 HB3 SER A 80 -6.615 -7.160 -11.752 1.00 3.25 H new ATOM 0 HG SER A 80 -6.190 -6.326 -9.859 1.00 4.33 H new ATOM 1140 N GLY A 81 -8.339 -9.482 -12.712 1.00 2.70 N ATOM 1141 CA GLY A 81 -9.156 -10.288 -13.644 1.00 3.53 C ATOM 1142 C GLY A 81 -8.545 -10.744 -14.982 1.00 3.88 C ATOM 1143 O GLY A 81 -8.985 -11.744 -15.547 1.00 5.16 O ATOM 0 H GLY A 81 -8.850 -8.678 -12.348 1.00 2.70 H new ATOM 0 HA2 GLY A 81 -9.477 -11.182 -13.109 1.00 3.53 H new ATOM 0 HA3 GLY A 81 -10.054 -9.714 -13.873 1.00 3.53 H new ATOM 1147 N GLY A 82 -7.551 -10.018 -15.494 1.00 3.24 N ATOM 1148 CA GLY A 82 -6.872 -10.294 -16.765 1.00 3.74 C ATOM 1149 C GLY A 82 -5.344 -10.290 -16.696 1.00 3.67 C ATOM 1150 O GLY A 82 -4.723 -10.016 -17.723 1.00 3.86 O ATOM 0 H GLY A 82 -7.182 -9.193 -15.021 1.00 3.24 H new ATOM 0 HA2 GLY A 82 -7.202 -11.266 -17.132 1.00 3.74 H new ATOM 0 HA3 GLY A 82 -7.190 -9.552 -17.498 1.00 3.74 H new ATOM 1154 N MET A 83 -4.735 -10.544 -15.524 1.00 3.55 N ATOM 1155 CA MET A 83 -3.276 -10.480 -15.318 1.00 3.53 C ATOM 1156 C MET A 83 -2.752 -11.449 -14.238 1.00 3.40 C ATOM 1157 O MET A 83 -3.260 -11.490 -13.115 1.00 3.32 O ATOM 1158 CB MET A 83 -2.894 -9.029 -14.973 1.00 3.49 C ATOM 1159 CG MET A 83 -1.379 -8.787 -14.994 1.00 3.99 C ATOM 1160 SD MET A 83 -0.590 -9.050 -16.604 1.00 5.47 S ATOM 1161 CE MET A 83 1.113 -8.661 -16.128 1.00 6.01 C ATOM 0 H MET A 83 -5.249 -10.803 -14.682 1.00 3.55 H new ATOM 0 HA MET A 83 -2.801 -10.800 -16.245 1.00 3.53 H new ATOM 0 HB2 MET A 83 -3.374 -8.354 -15.682 1.00 3.49 H new ATOM 0 HB3 MET A 83 -3.282 -8.782 -13.985 1.00 3.49 H new ATOM 0 HG2 MET A 83 -1.184 -7.764 -14.672 1.00 3.99 H new ATOM 0 HG3 MET A 83 -0.910 -9.446 -14.263 1.00 3.99 H new ATOM 0 HE1 MET A 83 1.766 -8.766 -16.994 1.00 6.01 H new ATOM 0 HE2 MET A 83 1.163 -7.637 -15.758 1.00 6.01 H new ATOM 0 HE3 MET A 83 1.437 -9.346 -15.344 1.00 6.01 H new ATOM 1171 N ALA A 84 -1.663 -12.161 -14.558 1.00 3.47 N ATOM 1172 CA ALA A 84 -0.938 -13.100 -13.705 1.00 3.38 C ATOM 1173 C ALA A 84 0.591 -12.857 -13.764 1.00 3.45 C ATOM 1174 O ALA A 84 1.128 -12.593 -14.838 1.00 3.87 O ATOM 1175 CB ALA A 84 -1.281 -14.534 -14.132 1.00 3.69 C ATOM 0 H ALA A 84 -1.240 -12.088 -15.483 1.00 3.47 H new ATOM 0 HA ALA A 84 -1.245 -12.945 -12.671 1.00 3.38 H new ATOM 0 HB1 ALA A 84 -0.743 -15.240 -13.500 1.00 3.69 H new ATOM 0 HB2 ALA A 84 -2.354 -14.698 -14.028 1.00 3.69 H new ATOM 0 HB3 ALA A 84 -0.990 -14.684 -15.172 1.00 3.69 H new ATOM 1181 N GLY A 85 1.275 -12.957 -12.623 1.00 3.14 N ATOM 1182 CA GLY A 85 2.711 -12.697 -12.460 1.00 3.22 C ATOM 1183 C GLY A 85 3.209 -13.007 -11.045 1.00 2.92 C ATOM 1184 O GLY A 85 2.624 -13.822 -10.335 1.00 3.54 O ATOM 0 H GLY A 85 0.827 -13.233 -11.749 1.00 3.14 H new ATOM 0 HA2 GLY A 85 3.269 -13.299 -13.177 1.00 3.22 H new ATOM 0 HA3 GLY A 85 2.916 -11.652 -12.692 1.00 3.22 H new ATOM 1188 N MET A 86 4.312 -12.373 -10.635 1.00 2.55 N ATOM 1189 CA MET A 86 5.005 -12.614 -9.360 1.00 2.48 C ATOM 1190 C MET A 86 5.860 -11.410 -8.940 1.00 2.14 C ATOM 1191 O MET A 86 6.380 -10.713 -9.801 1.00 2.42 O ATOM 1192 CB MET A 86 5.848 -13.894 -9.492 1.00 3.40 C ATOM 1193 CG MET A 86 6.407 -14.390 -8.156 1.00 4.59 C ATOM 1194 SD MET A 86 7.090 -16.059 -8.276 1.00 5.57 S ATOM 1195 CE MET A 86 7.226 -16.435 -6.514 1.00 7.10 C ATOM 0 H MET A 86 4.764 -11.653 -11.199 1.00 2.55 H new ATOM 0 HA MET A 86 4.267 -12.749 -8.569 1.00 2.48 H new ATOM 0 HB2 MET A 86 5.237 -14.679 -9.936 1.00 3.40 H new ATOM 0 HB3 MET A 86 6.675 -13.707 -10.177 1.00 3.40 H new ATOM 0 HG2 MET A 86 7.183 -13.706 -7.813 1.00 4.59 H new ATOM 0 HG3 MET A 86 5.616 -14.376 -7.406 1.00 4.59 H new ATOM 0 HE1 MET A 86 7.634 -17.438 -6.386 1.00 7.10 H new ATOM 0 HE2 MET A 86 7.887 -15.711 -6.037 1.00 7.10 H new ATOM 0 HE3 MET A 86 6.239 -16.384 -6.054 1.00 7.10 H new ATOM 1205 N LYS A 87 6.020 -11.197 -7.621 1.00 2.13 N ATOM 1206 CA LYS A 87 6.767 -10.123 -6.928 1.00 2.15 C ATOM 1207 C LYS A 87 7.602 -9.144 -7.808 1.00 1.49 C ATOM 1208 O LYS A 87 8.814 -9.334 -7.921 1.00 2.16 O ATOM 1209 CB LYS A 87 7.606 -10.751 -5.785 1.00 3.61 C ATOM 1210 CG LYS A 87 6.829 -11.147 -4.511 1.00 4.91 C ATOM 1211 CD LYS A 87 6.122 -12.512 -4.545 1.00 6.36 C ATOM 1212 CE LYS A 87 5.398 -12.813 -3.220 1.00 7.90 C ATOM 1213 NZ LYS A 87 6.317 -13.072 -2.082 1.00 9.01 N ATOM 0 H LYS A 87 5.590 -11.831 -6.947 1.00 2.13 H new ATOM 0 HA LYS A 87 6.003 -9.453 -6.534 1.00 2.15 H new ATOM 0 HB2 LYS A 87 8.104 -11.639 -6.173 1.00 3.61 H new ATOM 0 HB3 LYS A 87 8.387 -10.044 -5.505 1.00 3.61 H new ATOM 0 HG2 LYS A 87 7.523 -11.141 -3.671 1.00 4.91 H new ATOM 0 HG3 LYS A 87 6.082 -10.379 -4.313 1.00 4.91 H new ATOM 0 HD2 LYS A 87 5.403 -12.529 -5.364 1.00 6.36 H new ATOM 0 HD3 LYS A 87 6.853 -13.295 -4.746 1.00 6.36 H new ATOM 0 HE2 LYS A 87 4.753 -11.971 -2.970 1.00 7.90 H new ATOM 0 HE3 LYS A 87 4.752 -13.680 -3.358 1.00 7.90 H new ATOM 0 HZ1 LYS A 87 5.762 -13.300 -1.233 1.00 9.01 H new ATOM 0 HZ2 LYS A 87 6.940 -13.872 -2.314 1.00 9.01 H new ATOM 0 HZ3 LYS A 87 6.894 -12.225 -1.902 1.00 9.01 H new ATOM 1227 N MET A 88 7.013 -8.043 -8.313 1.00 1.74 N ATOM 1228 CA MET A 88 7.691 -7.107 -9.232 1.00 2.45 C ATOM 1229 C MET A 88 7.236 -5.626 -9.124 1.00 2.17 C ATOM 1230 O MET A 88 6.872 -5.019 -10.121 1.00 3.02 O ATOM 1231 CB MET A 88 7.553 -7.655 -10.665 1.00 3.86 C ATOM 1232 CG MET A 88 8.768 -7.198 -11.457 1.00 4.24 C ATOM 1233 SD MET A 88 8.641 -7.388 -13.252 1.00 5.81 S ATOM 1234 CE MET A 88 7.752 -5.852 -13.611 1.00 6.57 C ATOM 0 H MET A 88 6.053 -7.777 -8.095 1.00 1.74 H new ATOM 0 HA MET A 88 8.739 -7.062 -8.935 1.00 2.45 H new ATOM 0 HB2 MET A 88 7.492 -8.743 -10.653 1.00 3.86 H new ATOM 0 HB3 MET A 88 6.636 -7.289 -11.127 1.00 3.86 H new ATOM 0 HG2 MET A 88 8.953 -6.148 -11.232 1.00 4.24 H new ATOM 0 HG3 MET A 88 9.638 -7.756 -11.110 1.00 4.24 H new ATOM 0 HE1 MET A 88 7.573 -5.777 -14.684 1.00 6.57 H new ATOM 0 HE2 MET A 88 6.798 -5.852 -13.083 1.00 6.57 H new ATOM 0 HE3 MET A 88 8.349 -5.001 -13.283 1.00 6.57 H new ATOM 1244 N VAL A 89 7.298 -5.074 -7.908 1.00 1.72 N ATOM 1245 CA VAL A 89 7.032 -3.675 -7.493 1.00 1.64 C ATOM 1246 C VAL A 89 5.573 -3.192 -7.699 1.00 1.36 C ATOM 1247 O VAL A 89 4.927 -3.594 -8.662 1.00 1.44 O ATOM 1248 CB VAL A 89 8.073 -2.641 -8.008 1.00 2.02 C ATOM 1249 CG1 VAL A 89 9.510 -3.104 -7.712 1.00 3.71 C ATOM 1250 CG2 VAL A 89 7.973 -2.214 -9.483 1.00 2.45 C ATOM 0 H VAL A 89 7.561 -5.644 -7.104 1.00 1.72 H new ATOM 0 HA VAL A 89 7.166 -3.723 -6.412 1.00 1.64 H new ATOM 0 HB VAL A 89 7.814 -1.746 -7.443 1.00 2.02 H new ATOM 0 HG11 VAL A 89 10.216 -2.361 -8.084 1.00 3.71 H new ATOM 0 HG12 VAL A 89 9.640 -3.222 -6.636 1.00 3.71 H new ATOM 0 HG13 VAL A 89 9.694 -4.058 -8.206 1.00 3.71 H new ATOM 0 HG21 VAL A 89 8.758 -1.491 -9.707 1.00 2.45 H new ATOM 0 HG22 VAL A 89 8.091 -3.088 -10.124 1.00 2.45 H new ATOM 0 HG23 VAL A 89 6.999 -1.760 -9.665 1.00 2.45 H new ATOM 1260 N PRO A 90 5.015 -2.357 -6.796 1.00 1.46 N ATOM 1261 CA PRO A 90 3.591 -2.048 -6.745 1.00 1.57 C ATOM 1262 C PRO A 90 3.099 -1.144 -7.865 1.00 1.66 C ATOM 1263 O PRO A 90 3.832 -0.358 -8.462 1.00 2.84 O ATOM 1264 CB PRO A 90 3.330 -1.399 -5.375 1.00 2.00 C ATOM 1265 CG PRO A 90 4.682 -0.785 -5.035 1.00 2.14 C ATOM 1266 CD PRO A 90 5.645 -1.826 -5.603 1.00 1.75 C ATOM 0 HA PRO A 90 3.034 -2.975 -6.882 1.00 1.57 H new ATOM 0 HB2 PRO A 90 2.544 -0.645 -5.427 1.00 2.00 H new ATOM 0 HB3 PRO A 90 3.020 -2.133 -4.631 1.00 2.00 H new ATOM 0 HG2 PRO A 90 4.816 0.193 -5.498 1.00 2.14 H new ATOM 0 HG3 PRO A 90 4.812 -0.650 -3.961 1.00 2.14 H new ATOM 0 HD2 PRO A 90 6.609 -1.375 -5.840 1.00 1.75 H new ATOM 0 HD3 PRO A 90 5.833 -2.618 -4.878 1.00 1.75 H new ATOM 1274 N TRP A 91 1.789 -1.244 -8.070 1.00 1.22 N ATOM 1275 CA TRP A 91 0.967 -0.381 -8.895 1.00 1.34 C ATOM 1276 C TRP A 91 -0.156 0.174 -8.023 1.00 1.93 C ATOM 1277 O TRP A 91 -0.865 -0.574 -7.361 1.00 2.45 O ATOM 1278 CB TRP A 91 0.390 -1.197 -10.068 1.00 1.67 C ATOM 1279 CG TRP A 91 -0.023 -2.600 -9.726 1.00 1.96 C ATOM 1280 CD1 TRP A 91 -1.194 -2.981 -9.171 1.00 1.92 C ATOM 1281 CD2 TRP A 91 0.805 -3.800 -9.750 1.00 2.62 C ATOM 1282 NE1 TRP A 91 -1.148 -4.320 -8.837 1.00 2.39 N ATOM 1283 CE2 TRP A 91 0.075 -4.872 -9.156 1.00 2.88 C ATOM 1284 CE3 TRP A 91 2.137 -4.057 -10.136 1.00 3.18 C ATOM 1285 CZ2 TRP A 91 0.636 -6.142 -8.964 1.00 3.62 C ATOM 1286 CZ3 TRP A 91 2.707 -5.331 -9.972 1.00 3.94 C ATOM 1287 CH2 TRP A 91 1.961 -6.367 -9.387 1.00 4.15 C ATOM 0 H TRP A 91 1.241 -1.984 -7.631 1.00 1.22 H new ATOM 0 HA TRP A 91 1.554 0.441 -9.305 1.00 1.34 H new ATOM 0 HB2 TRP A 91 -0.475 -0.668 -10.468 1.00 1.67 H new ATOM 0 HB3 TRP A 91 1.135 -1.238 -10.863 1.00 1.67 H new ATOM 0 HD1 TRP A 91 -2.043 -2.333 -9.012 1.00 1.92 H new ATOM 0 HE1 TRP A 91 -1.918 -4.834 -8.410 1.00 2.39 H new ATOM 0 HE3 TRP A 91 2.729 -3.262 -10.565 1.00 3.18 H new ATOM 0 HZ2 TRP A 91 0.064 -6.932 -8.501 1.00 3.62 H new ATOM 0 HZ3 TRP A 91 3.721 -5.514 -10.297 1.00 3.94 H new ATOM 0 HH2 TRP A 91 2.406 -7.343 -9.260 1.00 4.15 H new ATOM 1298 N LEU A 92 -0.388 1.487 -8.069 1.00 2.43 N ATOM 1299 CA LEU A 92 -1.645 2.099 -7.638 1.00 3.19 C ATOM 1300 C LEU A 92 -2.336 2.776 -8.843 1.00 2.68 C ATOM 1301 O LEU A 92 -3.047 3.769 -8.711 1.00 3.36 O ATOM 1302 CB LEU A 92 -1.389 2.992 -6.410 1.00 4.68 C ATOM 1303 CG LEU A 92 -2.636 3.185 -5.528 1.00 5.71 C ATOM 1304 CD1 LEU A 92 -2.916 1.957 -4.642 1.00 6.95 C ATOM 1305 CD2 LEU A 92 -2.495 4.401 -4.610 1.00 7.05 C ATOM 0 H LEU A 92 0.298 2.161 -8.410 1.00 2.43 H new ATOM 0 HA LEU A 92 -2.363 1.354 -7.294 1.00 3.19 H new ATOM 0 HB2 LEU A 92 -0.592 2.553 -5.810 1.00 4.68 H new ATOM 0 HB3 LEU A 92 -1.035 3.967 -6.746 1.00 4.68 H new ATOM 0 HG LEU A 92 -3.464 3.332 -6.221 1.00 5.71 H new ATOM 0 HD11 LEU A 92 -3.805 2.139 -4.038 1.00 6.95 H new ATOM 0 HD12 LEU A 92 -3.079 1.083 -5.273 1.00 6.95 H new ATOM 0 HD13 LEU A 92 -2.063 1.778 -3.988 1.00 6.95 H new ATOM 0 HD21 LEU A 92 -3.394 4.505 -4.003 1.00 7.05 H new ATOM 0 HD22 LEU A 92 -1.631 4.267 -3.959 1.00 7.05 H new ATOM 0 HD23 LEU A 92 -2.359 5.299 -5.213 1.00 7.05 H new ATOM 1317 N THR A 93 -2.098 2.201 -10.025 1.00 2.15 N ATOM 1318 CA THR A 93 -2.753 2.541 -11.287 1.00 2.25 C ATOM 1319 C THR A 93 -3.855 1.528 -11.556 1.00 1.93 C ATOM 1320 O THR A 93 -3.625 0.322 -11.487 1.00 2.33 O ATOM 1321 CB THR A 93 -1.706 2.679 -12.399 1.00 3.30 C ATOM 1322 OG1 THR A 93 -2.298 3.322 -13.493 1.00 3.75 O ATOM 1323 CG2 THR A 93 -1.047 1.395 -12.897 1.00 4.51 C ATOM 0 H THR A 93 -1.413 1.453 -10.131 1.00 2.15 H new ATOM 0 HA THR A 93 -3.242 3.514 -11.240 1.00 2.25 H new ATOM 0 HB THR A 93 -0.896 3.246 -11.940 1.00 3.30 H new ATOM 0 HG1 THR A 93 -1.639 3.419 -14.212 1.00 3.75 H new ATOM 0 HG21 THR A 93 -0.329 1.635 -13.681 1.00 4.51 H new ATOM 0 HG22 THR A 93 -0.532 0.906 -12.070 1.00 4.51 H new ATOM 0 HG23 THR A 93 -1.809 0.726 -13.296 1.00 4.51 H new ATOM 1331 N ILE A 94 -5.081 1.994 -11.802 1.00 1.65 N ATOM 1332 CA ILE A 94 -6.242 1.142 -12.069 1.00 1.54 C ATOM 1333 C ILE A 94 -6.672 1.253 -13.551 1.00 1.40 C ATOM 1334 O ILE A 94 -6.900 2.366 -14.028 1.00 1.72 O ATOM 1335 CB ILE A 94 -7.348 1.457 -11.032 1.00 2.04 C ATOM 1336 CG1 ILE A 94 -8.379 0.320 -10.894 1.00 3.17 C ATOM 1337 CG2 ILE A 94 -8.018 2.830 -11.174 1.00 2.82 C ATOM 1338 CD1 ILE A 94 -9.453 0.275 -11.974 1.00 4.32 C ATOM 0 H ILE A 94 -5.299 2.990 -11.822 1.00 1.65 H new ATOM 0 HA ILE A 94 -5.997 0.088 -11.939 1.00 1.54 H new ATOM 0 HB ILE A 94 -6.801 1.522 -10.092 1.00 2.04 H new ATOM 0 HG12 ILE A 94 -7.847 -0.631 -10.895 1.00 3.17 H new ATOM 0 HG13 ILE A 94 -8.867 0.411 -9.924 1.00 3.17 H new ATOM 0 HG21 ILE A 94 -8.776 2.947 -10.399 1.00 2.82 H new ATOM 0 HG22 ILE A 94 -7.268 3.614 -11.069 1.00 2.82 H new ATOM 0 HG23 ILE A 94 -8.487 2.906 -12.155 1.00 2.82 H new ATOM 0 HD11 ILE A 94 -10.126 -0.561 -11.783 1.00 4.32 H new ATOM 0 HD12 ILE A 94 -10.019 1.206 -11.963 1.00 4.32 H new ATOM 0 HD13 ILE A 94 -8.983 0.147 -12.949 1.00 4.32 H new ATOM 1350 N PRO A 95 -6.806 0.136 -14.298 1.00 1.62 N ATOM 1351 CA PRO A 95 -7.186 0.152 -15.712 1.00 2.14 C ATOM 1352 C PRO A 95 -8.705 0.331 -15.919 1.00 1.94 C ATOM 1353 O PRO A 95 -9.366 -0.521 -16.510 1.00 2.56 O ATOM 1354 CB PRO A 95 -6.630 -1.164 -16.266 1.00 2.88 C ATOM 1355 CG PRO A 95 -6.787 -2.121 -15.086 1.00 2.70 C ATOM 1356 CD PRO A 95 -6.470 -1.224 -13.891 1.00 2.06 C ATOM 0 HA PRO A 95 -6.775 1.009 -16.246 1.00 2.14 H new ATOM 0 HB2 PRO A 95 -7.188 -1.503 -17.139 1.00 2.88 H new ATOM 0 HB3 PRO A 95 -5.588 -1.066 -16.572 1.00 2.88 H new ATOM 0 HG2 PRO A 95 -7.794 -2.533 -15.029 1.00 2.70 H new ATOM 0 HG3 PRO A 95 -6.101 -2.965 -15.154 1.00 2.70 H new ATOM 0 HD2 PRO A 95 -7.049 -1.522 -13.017 1.00 2.06 H new ATOM 0 HD3 PRO A 95 -5.418 -1.299 -13.617 1.00 2.06 H new ATOM 1364 N ALA A 96 -9.259 1.453 -15.440 1.00 1.98 N ATOM 1365 CA ALA A 96 -10.672 1.838 -15.566 1.00 2.03 C ATOM 1366 C ALA A 96 -11.622 0.746 -15.070 1.00 2.00 C ATOM 1367 O ALA A 96 -11.698 0.520 -13.868 1.00 3.04 O ATOM 1368 CB ALA A 96 -10.948 2.355 -16.993 1.00 2.35 C ATOM 0 H ALA A 96 -8.711 2.147 -14.932 1.00 1.98 H new ATOM 0 HA ALA A 96 -10.882 2.671 -14.896 1.00 2.03 H new ATOM 0 HB1 ALA A 96 -11.997 2.639 -17.081 1.00 2.35 H new ATOM 0 HB2 ALA A 96 -10.319 3.222 -17.194 1.00 2.35 H new ATOM 0 HB3 ALA A 96 -10.723 1.569 -17.714 1.00 2.35 H new ATOM 1374 N ARG A 97 -12.369 0.090 -15.960 1.00 2.28 N ATOM 1375 CA ARG A 97 -13.181 -1.085 -15.628 1.00 2.30 C ATOM 1376 C ARG A 97 -12.304 -2.323 -15.316 1.00 2.43 C ATOM 1377 O ARG A 97 -12.279 -3.301 -16.067 1.00 3.52 O ATOM 1378 CB ARG A 97 -14.211 -1.345 -16.747 1.00 2.49 C ATOM 1379 CG ARG A 97 -15.268 -2.398 -16.355 1.00 2.38 C ATOM 1380 CD ARG A 97 -16.081 -2.880 -17.564 1.00 3.02 C ATOM 1381 NE ARG A 97 -17.073 -1.887 -18.003 1.00 4.31 N ATOM 1382 CZ ARG A 97 -17.866 -1.998 -19.060 1.00 5.31 C ATOM 1383 NH1 ARG A 97 -17.802 -2.994 -19.912 1.00 5.33 N ATOM 1384 NH2 ARG A 97 -18.775 -1.078 -19.261 1.00 6.77 N ATOM 0 H ARG A 97 -12.429 0.361 -16.941 1.00 2.28 H new ATOM 0 HA ARG A 97 -13.734 -0.882 -14.711 1.00 2.30 H new ATOM 0 HB2 ARG A 97 -14.712 -0.410 -16.997 1.00 2.49 H new ATOM 0 HB3 ARG A 97 -13.689 -1.677 -17.644 1.00 2.49 H new ATOM 0 HG2 ARG A 97 -14.774 -3.250 -15.888 1.00 2.38 H new ATOM 0 HG3 ARG A 97 -15.943 -1.974 -15.611 1.00 2.38 H new ATOM 0 HD2 ARG A 97 -15.404 -3.102 -18.389 1.00 3.02 H new ATOM 0 HD3 ARG A 97 -16.590 -3.810 -17.309 1.00 3.02 H new ATOM 0 HE ARG A 97 -17.159 -1.038 -17.445 1.00 4.31 H new ATOM 0 HH11 ARG A 97 -17.115 -3.736 -19.778 1.00 5.33 H new ATOM 0 HH12 ARG A 97 -18.439 -3.026 -20.708 1.00 5.33 H new ATOM 0 HH21 ARG A 97 -18.862 -0.297 -18.611 1.00 6.77 H new ATOM 0 HH22 ARG A 97 -19.396 -1.142 -20.067 1.00 6.77 H new ATOM 1398 N GLY A 98 -11.575 -2.276 -14.200 1.00 1.71 N ATOM 1399 CA GLY A 98 -10.923 -3.431 -13.557 1.00 1.73 C ATOM 1400 C GLY A 98 -10.791 -3.226 -12.049 1.00 1.79 C ATOM 1401 O GLY A 98 -11.644 -2.587 -11.431 1.00 2.92 O ATOM 0 H GLY A 98 -11.413 -1.404 -13.696 1.00 1.71 H new ATOM 0 HA2 GLY A 98 -11.501 -4.334 -13.754 1.00 1.73 H new ATOM 0 HA3 GLY A 98 -9.936 -3.583 -13.993 1.00 1.73 H new ATOM 1405 N THR A 99 -9.751 -3.794 -11.420 1.00 1.54 N ATOM 1406 CA THR A 99 -9.622 -3.798 -9.953 1.00 1.76 C ATOM 1407 C THR A 99 -8.176 -3.663 -9.518 1.00 1.50 C ATOM 1408 O THR A 99 -7.356 -4.548 -9.772 1.00 1.84 O ATOM 1409 CB THR A 99 -10.230 -5.079 -9.364 1.00 2.49 C ATOM 1410 OG1 THR A 99 -11.552 -5.188 -9.825 1.00 3.51 O ATOM 1411 CG2 THR A 99 -10.271 -5.060 -7.835 1.00 2.52 C ATOM 0 H THR A 99 -8.984 -4.258 -11.906 1.00 1.54 H new ATOM 0 HA THR A 99 -10.169 -2.934 -9.574 1.00 1.76 H new ATOM 0 HB THR A 99 -9.607 -5.917 -9.677 1.00 2.49 H new ATOM 0 HG1 THR A 99 -11.959 -6.002 -9.461 1.00 3.51 H new ATOM 0 HG21 THR A 99 -10.710 -5.989 -7.471 1.00 2.52 H new ATOM 0 HG22 THR A 99 -9.258 -4.960 -7.445 1.00 2.52 H new ATOM 0 HG23 THR A 99 -10.874 -4.217 -7.498 1.00 2.52 H new ATOM 1419 N LEU A 100 -7.903 -2.556 -8.827 1.00 1.36 N ATOM 1420 CA LEU A 100 -6.683 -2.308 -8.083 1.00 1.34 C ATOM 1421 C LEU A 100 -6.863 -2.672 -6.599 1.00 1.29 C ATOM 1422 O LEU A 100 -7.459 -1.919 -5.825 1.00 1.33 O ATOM 1423 CB LEU A 100 -6.350 -0.829 -8.303 1.00 1.80 C ATOM 1424 CG LEU A 100 -5.283 -0.248 -7.372 1.00 2.60 C ATOM 1425 CD1 LEU A 100 -3.957 -1.002 -7.472 1.00 3.10 C ATOM 1426 CD2 LEU A 100 -5.098 1.218 -7.759 1.00 3.69 C ATOM 0 H LEU A 100 -8.560 -1.778 -8.773 1.00 1.36 H new ATOM 0 HA LEU A 100 -5.857 -2.930 -8.426 1.00 1.34 H new ATOM 0 HB2 LEU A 100 -6.018 -0.699 -9.333 1.00 1.80 H new ATOM 0 HB3 LEU A 100 -7.265 -0.247 -8.187 1.00 1.80 H new ATOM 0 HG LEU A 100 -5.609 -0.345 -6.336 1.00 2.60 H new ATOM 0 HD11 LEU A 100 -3.231 -0.554 -6.793 1.00 3.10 H new ATOM 0 HD12 LEU A 100 -4.111 -2.046 -7.200 1.00 3.10 H new ATOM 0 HD13 LEU A 100 -3.582 -0.945 -8.494 1.00 3.10 H new ATOM 0 HD21 LEU A 100 -4.343 1.671 -7.117 1.00 3.69 H new ATOM 0 HD22 LEU A 100 -4.776 1.282 -8.799 1.00 3.69 H new ATOM 0 HD23 LEU A 100 -6.043 1.748 -7.638 1.00 3.69 H new ATOM 1438 N THR A 101 -6.274 -3.802 -6.207 1.00 1.35 N ATOM 1439 CA THR A 101 -6.032 -4.216 -4.820 1.00 1.30 C ATOM 1440 C THR A 101 -4.595 -3.865 -4.428 1.00 1.33 C ATOM 1441 O THR A 101 -3.690 -4.045 -5.235 1.00 1.90 O ATOM 1442 CB THR A 101 -6.236 -5.739 -4.665 1.00 2.01 C ATOM 1443 OG1 THR A 101 -6.266 -6.422 -5.897 1.00 2.91 O ATOM 1444 CG2 THR A 101 -7.576 -6.026 -3.988 1.00 2.82 C ATOM 0 H THR A 101 -5.935 -4.489 -6.880 1.00 1.35 H new ATOM 0 HA THR A 101 -6.738 -3.694 -4.173 1.00 1.30 H new ATOM 0 HB THR A 101 -5.387 -6.086 -4.076 1.00 2.01 H new ATOM 0 HG1 THR A 101 -6.396 -7.380 -5.737 1.00 2.91 H new ATOM 0 HG21 THR A 101 -7.708 -7.103 -3.884 1.00 2.82 H new ATOM 0 HG22 THR A 101 -7.592 -5.562 -3.002 1.00 2.82 H new ATOM 0 HG23 THR A 101 -8.385 -5.618 -4.594 1.00 2.82 H new ATOM 1452 N LEU A 102 -4.375 -3.425 -3.180 1.00 1.46 N ATOM 1453 CA LEU A 102 -3.060 -3.397 -2.508 1.00 1.88 C ATOM 1454 C LEU A 102 -3.219 -4.143 -1.171 1.00 1.62 C ATOM 1455 O LEU A 102 -3.489 -3.571 -0.119 1.00 1.59 O ATOM 1456 CB LEU A 102 -2.530 -1.941 -2.452 1.00 2.64 C ATOM 1457 CG LEU A 102 -1.400 -1.602 -1.444 1.00 3.36 C ATOM 1458 CD1 LEU A 102 -0.193 -2.534 -1.414 1.00 4.12 C ATOM 1459 CD2 LEU A 102 -0.890 -0.178 -1.717 1.00 4.20 C ATOM 0 H LEU A 102 -5.127 -3.068 -2.590 1.00 1.46 H new ATOM 0 HA LEU A 102 -2.274 -3.922 -3.050 1.00 1.88 H new ATOM 0 HB2 LEU A 102 -2.175 -1.679 -3.449 1.00 2.64 H new ATOM 0 HB3 LEU A 102 -3.376 -1.289 -2.234 1.00 2.64 H new ATOM 0 HG LEU A 102 -1.876 -1.719 -0.470 1.00 3.36 H new ATOM 0 HD11 LEU A 102 0.519 -2.183 -0.667 1.00 4.12 H new ATOM 0 HD12 LEU A 102 -0.518 -3.543 -1.159 1.00 4.12 H new ATOM 0 HD13 LEU A 102 0.284 -2.544 -2.394 1.00 4.12 H new ATOM 0 HD21 LEU A 102 -0.096 0.066 -1.011 1.00 4.20 H new ATOM 0 HD22 LEU A 102 -0.503 -0.119 -2.734 1.00 4.20 H new ATOM 0 HD23 LEU A 102 -1.710 0.531 -1.599 1.00 4.20 H new ATOM 1471 N GLN A 103 -3.129 -5.464 -1.245 1.00 1.54 N ATOM 1472 CA GLN A 103 -3.341 -6.420 -0.155 1.00 1.46 C ATOM 1473 C GLN A 103 -2.827 -7.790 -0.567 1.00 1.52 C ATOM 1474 O GLN A 103 -2.937 -8.144 -1.736 1.00 1.88 O ATOM 1475 CB GLN A 103 -4.820 -6.542 0.259 1.00 1.88 C ATOM 1476 CG GLN A 103 -5.855 -6.497 -0.878 1.00 1.82 C ATOM 1477 CD GLN A 103 -7.214 -6.097 -0.334 1.00 1.87 C ATOM 1478 OE1 GLN A 103 -7.962 -6.894 0.218 1.00 1.91 O ATOM 1479 NE2 GLN A 103 -7.547 -4.820 -0.419 1.00 3.10 N ATOM 0 H GLN A 103 -2.891 -5.930 -2.120 1.00 1.54 H new ATOM 0 HA GLN A 103 -2.790 -6.042 0.706 1.00 1.46 H new ATOM 0 HB2 GLN A 103 -4.947 -7.480 0.800 1.00 1.88 H new ATOM 0 HB3 GLN A 103 -5.046 -5.738 0.959 1.00 1.88 H new ATOM 0 HG2 GLN A 103 -5.537 -5.786 -1.641 1.00 1.82 H new ATOM 0 HG3 GLN A 103 -5.921 -7.473 -1.359 1.00 1.82 H new ATOM 0 HE21 GLN A 103 -6.921 -4.159 -0.880 1.00 3.10 H new ATOM 0 HE22 GLN A 103 -8.430 -4.496 -0.024 1.00 3.10 H new ATOM 1488 N ARG A 104 -2.363 -8.594 0.402 1.00 1.65 N ATOM 1489 CA ARG A 104 -1.877 -9.981 0.253 1.00 2.00 C ATOM 1490 C ARG A 104 -2.798 -10.940 -0.535 1.00 2.23 C ATOM 1491 O ARG A 104 -2.405 -12.074 -0.812 1.00 2.61 O ATOM 1492 CB ARG A 104 -1.617 -10.556 1.660 1.00 2.14 C ATOM 1493 CG ARG A 104 -0.212 -10.237 2.199 1.00 3.19 C ATOM 1494 CD ARG A 104 0.776 -11.364 1.844 1.00 4.49 C ATOM 1495 NE ARG A 104 2.164 -11.109 2.276 1.00 5.74 N ATOM 1496 CZ ARG A 104 2.634 -10.924 3.508 1.00 6.42 C ATOM 1497 NH1 ARG A 104 1.863 -10.816 4.577 1.00 6.06 N ATOM 1498 NH2 ARG A 104 3.928 -10.843 3.674 1.00 7.99 N ATOM 0 H ARG A 104 -2.313 -8.277 1.370 1.00 1.65 H new ATOM 0 HA ARG A 104 -0.971 -9.916 -0.350 1.00 2.00 H new ATOM 0 HB2 ARG A 104 -2.362 -10.159 2.350 1.00 2.14 H new ATOM 0 HB3 ARG A 104 -1.751 -11.637 1.633 1.00 2.14 H new ATOM 0 HG2 ARG A 104 0.138 -9.294 1.780 1.00 3.19 H new ATOM 0 HG3 ARG A 104 -0.252 -10.109 3.281 1.00 3.19 H new ATOM 0 HD2 ARG A 104 0.430 -12.292 2.299 1.00 4.49 H new ATOM 0 HD3 ARG A 104 0.765 -11.515 0.765 1.00 4.49 H new ATOM 0 HE ARG A 104 2.858 -11.069 1.529 1.00 5.74 H new ATOM 0 HH11 ARG A 104 0.849 -10.874 4.482 1.00 6.06 H new ATOM 0 HH12 ARG A 104 2.282 -10.675 5.496 1.00 6.06 H new ATOM 0 HH21 ARG A 104 4.551 -10.921 2.870 1.00 7.99 H new ATOM 0 HH22 ARG A 104 4.315 -10.701 4.607 1.00 7.99 H new ATOM 1512 N ASP A 105 -3.998 -10.491 -0.904 1.00 2.26 N ATOM 1513 CA ASP A 105 -4.865 -11.085 -1.925 1.00 2.73 C ATOM 1514 C ASP A 105 -4.114 -11.211 -3.279 1.00 2.56 C ATOM 1515 O ASP A 105 -4.160 -12.257 -3.929 1.00 2.62 O ATOM 1516 CB ASP A 105 -6.144 -10.218 -2.039 1.00 3.22 C ATOM 1517 CG ASP A 105 -7.369 -10.942 -2.626 1.00 3.92 C ATOM 1518 OD1 ASP A 105 -7.196 -11.909 -3.376 1.00 4.34 O ATOM 1519 OD2 ASP A 105 -8.513 -10.482 -2.305 1.00 4.76 O ATOM 0 H ASP A 105 -4.413 -9.662 -0.479 1.00 2.26 H new ATOM 0 HA ASP A 105 -5.151 -12.098 -1.640 1.00 2.73 H new ATOM 0 HB2 ASP A 105 -6.402 -9.845 -1.048 1.00 3.22 H new ATOM 0 HB3 ASP A 105 -5.922 -9.349 -2.659 1.00 3.22 H new ATOM 1524 N GLY A 106 -3.305 -10.197 -3.645 1.00 2.45 N ATOM 1525 CA GLY A 106 -2.425 -10.205 -4.820 1.00 2.42 C ATOM 1526 C GLY A 106 -1.253 -9.209 -4.839 1.00 2.50 C ATOM 1527 O GLY A 106 -0.325 -9.442 -5.604 1.00 2.80 O ATOM 0 H GLY A 106 -3.248 -9.328 -3.114 1.00 2.45 H new ATOM 0 HA2 GLY A 106 -2.014 -11.209 -4.925 1.00 2.42 H new ATOM 0 HA3 GLY A 106 -3.039 -10.018 -5.701 1.00 2.42 H new ATOM 1531 N ASP A 107 -1.239 -8.135 -4.042 1.00 2.48 N ATOM 1532 CA ASP A 107 -0.217 -7.070 -4.101 1.00 2.75 C ATOM 1533 C ASP A 107 0.144 -6.610 -2.676 1.00 1.73 C ATOM 1534 O ASP A 107 -0.763 -6.411 -1.892 1.00 1.55 O ATOM 1535 CB ASP A 107 -0.843 -5.927 -4.926 1.00 3.96 C ATOM 1536 CG ASP A 107 -0.006 -4.647 -4.994 1.00 5.35 C ATOM 1537 OD1 ASP A 107 0.257 -4.070 -3.921 1.00 6.04 O ATOM 1538 OD2 ASP A 107 0.417 -4.268 -6.102 1.00 6.44 O ATOM 0 H ASP A 107 -1.946 -7.974 -3.325 1.00 2.48 H new ATOM 0 HA ASP A 107 0.709 -7.412 -4.563 1.00 2.75 H new ATOM 0 HB2 ASP A 107 -1.017 -6.284 -5.941 1.00 3.96 H new ATOM 0 HB3 ASP A 107 -1.817 -5.684 -4.502 1.00 3.96 H new ATOM 1543 N HIS A 108 1.400 -6.395 -2.270 1.00 1.55 N ATOM 1544 CA HIS A 108 1.636 -5.739 -0.970 1.00 1.11 C ATOM 1545 C HIS A 108 2.974 -4.986 -0.800 1.00 1.08 C ATOM 1546 O HIS A 108 3.919 -5.154 -1.576 1.00 1.39 O ATOM 1547 CB HIS A 108 1.336 -6.724 0.183 1.00 1.27 C ATOM 1548 CG HIS A 108 2.537 -7.336 0.842 1.00 1.71 C ATOM 1549 ND1 HIS A 108 3.658 -7.840 0.222 1.00 2.57 N ATOM 1550 CD2 HIS A 108 2.731 -7.444 2.192 1.00 2.43 C ATOM 1551 CE1 HIS A 108 4.505 -8.235 1.186 1.00 2.87 C ATOM 1552 NE2 HIS A 108 3.983 -8.018 2.403 1.00 2.86 N ATOM 0 H HIS A 108 2.238 -6.651 -2.792 1.00 1.55 H new ATOM 0 HA HIS A 108 0.925 -4.914 -0.935 1.00 1.11 H new ATOM 0 HB2 HIS A 108 0.755 -6.201 0.942 1.00 1.27 H new ATOM 0 HB3 HIS A 108 0.707 -7.526 -0.203 1.00 1.27 H new ATOM 0 HD1 HIS A 108 3.816 -7.902 -0.784 1.00 2.57 H new ATOM 0 HD2 HIS A 108 2.036 -7.138 2.960 1.00 2.43 H new ATOM 0 HE1 HIS A 108 5.477 -8.670 1.006 1.00 2.87 H new ATOM 1560 N VAL A 109 3.075 -4.178 0.266 1.00 0.94 N ATOM 1561 CA VAL A 109 4.281 -3.452 0.670 1.00 0.90 C ATOM 1562 C VAL A 109 4.511 -3.624 2.177 1.00 0.84 C ATOM 1563 O VAL A 109 3.553 -3.714 2.952 1.00 0.88 O ATOM 1564 CB VAL A 109 4.217 -1.957 0.281 1.00 1.03 C ATOM 1565 CG1 VAL A 109 4.001 -1.754 -1.231 1.00 2.68 C ATOM 1566 CG2 VAL A 109 3.149 -1.165 1.060 1.00 1.71 C ATOM 0 H VAL A 109 2.287 -4.008 0.892 1.00 0.94 H new ATOM 0 HA VAL A 109 5.128 -3.877 0.131 1.00 0.90 H new ATOM 0 HB VAL A 109 5.194 -1.561 0.558 1.00 1.03 H new ATOM 0 HG11 VAL A 109 3.963 -0.688 -1.453 1.00 2.68 H new ATOM 0 HG12 VAL A 109 4.824 -2.210 -1.781 1.00 2.68 H new ATOM 0 HG13 VAL A 109 3.062 -2.220 -1.530 1.00 2.68 H new ATOM 0 HG21 VAL A 109 3.160 -0.124 0.736 1.00 1.71 H new ATOM 0 HG22 VAL A 109 2.166 -1.594 0.868 1.00 1.71 H new ATOM 0 HG23 VAL A 109 3.365 -1.215 2.127 1.00 1.71 H new ATOM 1576 N MET A 110 5.782 -3.702 2.568 1.00 0.91 N ATOM 1577 CA MET A 110 6.251 -4.160 3.874 1.00 0.82 C ATOM 1578 C MET A 110 7.387 -3.271 4.367 1.00 0.81 C ATOM 1579 O MET A 110 8.443 -3.157 3.747 1.00 1.06 O ATOM 1580 CB MET A 110 6.680 -5.630 3.742 1.00 0.85 C ATOM 1581 CG MET A 110 7.106 -6.247 5.075 1.00 1.69 C ATOM 1582 SD MET A 110 7.512 -8.001 4.949 1.00 1.73 S ATOM 1583 CE MET A 110 7.969 -8.300 6.675 1.00 2.37 C ATOM 0 H MET A 110 6.550 -3.434 1.952 1.00 0.91 H new ATOM 0 HA MET A 110 5.456 -4.092 4.616 1.00 0.82 H new ATOM 0 HB2 MET A 110 5.855 -6.208 3.327 1.00 0.85 H new ATOM 0 HB3 MET A 110 7.506 -5.700 3.034 1.00 0.85 H new ATOM 0 HG2 MET A 110 7.972 -5.707 5.458 1.00 1.69 H new ATOM 0 HG3 MET A 110 6.303 -6.118 5.801 1.00 1.69 H new ATOM 0 HE1 MET A 110 8.255 -9.344 6.800 1.00 2.37 H new ATOM 0 HE2 MET A 110 8.808 -7.659 6.945 1.00 2.37 H new ATOM 0 HE3 MET A 110 7.119 -8.077 7.320 1.00 2.37 H new ATOM 1593 N LEU A 111 7.170 -2.632 5.511 1.00 0.80 N ATOM 1594 CA LEU A 111 8.084 -1.646 6.075 1.00 0.87 C ATOM 1595 C LEU A 111 9.057 -2.408 6.980 1.00 0.75 C ATOM 1596 O LEU A 111 8.732 -2.722 8.129 1.00 0.77 O ATOM 1597 CB LEU A 111 7.293 -0.514 6.773 1.00 1.17 C ATOM 1598 CG LEU A 111 5.890 -0.163 6.223 1.00 0.98 C ATOM 1599 CD1 LEU A 111 5.283 0.942 7.100 1.00 2.31 C ATOM 1600 CD2 LEU A 111 5.944 0.284 4.753 1.00 2.26 C ATOM 0 H LEU A 111 6.339 -2.787 6.082 1.00 0.80 H new ATOM 0 HA LEU A 111 8.669 -1.132 5.313 1.00 0.87 H new ATOM 0 HB2 LEU A 111 7.182 -0.783 7.824 1.00 1.17 H new ATOM 0 HB3 LEU A 111 7.901 0.390 6.737 1.00 1.17 H new ATOM 0 HG LEU A 111 5.267 -1.056 6.257 1.00 0.98 H new ATOM 0 HD11 LEU A 111 4.293 1.201 6.725 1.00 2.31 H new ATOM 0 HD12 LEU A 111 5.201 0.587 8.127 1.00 2.31 H new ATOM 0 HD13 LEU A 111 5.924 1.823 7.071 1.00 2.31 H new ATOM 0 HD21 LEU A 111 4.938 0.521 4.407 1.00 2.26 H new ATOM 0 HD22 LEU A 111 6.575 1.168 4.665 1.00 2.26 H new ATOM 0 HD23 LEU A 111 6.357 -0.519 4.143 1.00 2.26 H new ATOM 1612 N MET A 112 10.199 -2.801 6.415 1.00 0.77 N ATOM 1613 CA MET A 112 11.158 -3.742 7.015 1.00 0.77 C ATOM 1614 C MET A 112 12.296 -2.976 7.703 1.00 0.95 C ATOM 1615 O MET A 112 12.821 -1.994 7.168 1.00 1.05 O ATOM 1616 CB MET A 112 11.657 -4.683 5.904 1.00 0.86 C ATOM 1617 CG MET A 112 12.527 -5.846 6.393 1.00 1.16 C ATOM 1618 SD MET A 112 14.260 -5.430 6.729 1.00 2.18 S ATOM 1619 CE MET A 112 14.883 -7.110 6.997 1.00 2.28 C ATOM 0 H MET A 112 10.496 -2.465 5.499 1.00 0.77 H new ATOM 0 HA MET A 112 10.686 -4.343 7.792 1.00 0.77 H new ATOM 0 HB2 MET A 112 10.794 -5.089 5.376 1.00 0.86 H new ATOM 0 HB3 MET A 112 12.227 -4.099 5.181 1.00 0.86 H new ATOM 0 HG2 MET A 112 12.085 -6.251 7.303 1.00 1.16 H new ATOM 0 HG3 MET A 112 12.499 -6.638 5.645 1.00 1.16 H new ATOM 0 HE1 MET A 112 15.949 -7.071 7.221 1.00 2.28 H new ATOM 0 HE2 MET A 112 14.353 -7.566 7.833 1.00 2.28 H new ATOM 0 HE3 MET A 112 14.723 -7.705 6.098 1.00 2.28 H new ATOM 1629 N GLY A 113 12.637 -3.384 8.930 1.00 1.04 N ATOM 1630 CA GLY A 113 13.592 -2.658 9.783 1.00 1.23 C ATOM 1631 C GLY A 113 13.015 -1.322 10.275 1.00 1.30 C ATOM 1632 O GLY A 113 13.628 -0.264 10.086 1.00 1.63 O ATOM 0 H GLY A 113 12.260 -4.227 9.363 1.00 1.04 H new ATOM 0 HA2 GLY A 113 13.858 -3.277 10.640 1.00 1.23 H new ATOM 0 HA3 GLY A 113 14.511 -2.474 9.226 1.00 1.23 H new ATOM 1636 N LEU A 114 11.806 -1.358 10.847 1.00 1.22 N ATOM 1637 CA LEU A 114 11.136 -0.274 11.522 1.00 1.35 C ATOM 1638 C LEU A 114 11.881 0.131 12.811 1.00 1.66 C ATOM 1639 O LEU A 114 12.712 -0.631 13.312 1.00 2.60 O ATOM 1640 CB LEU A 114 9.655 -0.682 11.684 1.00 1.49 C ATOM 1641 CG LEU A 114 8.678 0.514 11.811 1.00 1.79 C ATOM 1642 CD1 LEU A 114 8.429 1.184 10.453 1.00 2.61 C ATOM 1643 CD2 LEU A 114 7.326 -0.002 12.321 1.00 2.57 C ATOM 0 H LEU A 114 11.244 -2.209 10.842 1.00 1.22 H new ATOM 0 HA LEU A 114 11.150 0.649 10.943 1.00 1.35 H new ATOM 0 HB2 LEU A 114 9.361 -1.288 10.827 1.00 1.49 H new ATOM 0 HB3 LEU A 114 9.558 -1.312 12.568 1.00 1.49 H new ATOM 0 HG LEU A 114 9.123 1.237 12.494 1.00 1.79 H new ATOM 0 HD11 LEU A 114 7.739 2.018 10.580 1.00 2.61 H new ATOM 0 HD12 LEU A 114 9.373 1.551 10.050 1.00 2.61 H new ATOM 0 HD13 LEU A 114 7.998 0.459 9.763 1.00 2.61 H new ATOM 0 HD21 LEU A 114 6.630 0.832 12.414 1.00 2.57 H new ATOM 0 HD22 LEU A 114 6.926 -0.732 11.617 1.00 2.57 H new ATOM 0 HD23 LEU A 114 7.460 -0.473 13.295 1.00 2.57 H new ATOM 1655 N LYS A 115 11.575 1.342 13.319 1.00 1.35 N ATOM 1656 CA LYS A 115 12.183 1.918 14.504 1.00 1.79 C ATOM 1657 C LYS A 115 11.311 1.988 15.763 1.00 2.07 C ATOM 1658 O LYS A 115 11.818 1.902 16.879 1.00 2.70 O ATOM 1659 CB LYS A 115 12.769 3.267 14.093 1.00 1.98 C ATOM 1660 CG LYS A 115 11.772 4.257 13.458 1.00 2.16 C ATOM 1661 CD LYS A 115 12.480 5.448 12.805 1.00 2.63 C ATOM 1662 CE LYS A 115 13.224 4.975 11.551 1.00 2.71 C ATOM 1663 NZ LYS A 115 14.386 5.827 11.226 1.00 3.58 N ATOM 0 H LYS A 115 10.877 1.952 12.894 1.00 1.35 H new ATOM 0 HA LYS A 115 12.960 1.234 14.844 1.00 1.79 H new ATOM 0 HB2 LYS A 115 13.209 3.736 14.973 1.00 1.98 H new ATOM 0 HB3 LYS A 115 13.580 3.091 13.386 1.00 1.98 H new ATOM 0 HG2 LYS A 115 11.173 3.738 12.710 1.00 2.16 H new ATOM 0 HG3 LYS A 115 11.085 4.619 14.222 1.00 2.16 H new ATOM 0 HD2 LYS A 115 11.754 6.217 12.542 1.00 2.63 H new ATOM 0 HD3 LYS A 115 13.180 5.899 13.508 1.00 2.63 H new ATOM 0 HE2 LYS A 115 13.560 3.949 11.698 1.00 2.71 H new ATOM 0 HE3 LYS A 115 12.536 4.967 10.706 1.00 2.71 H new ATOM 0 HZ1 LYS A 115 14.854 5.465 10.371 1.00 3.58 H new ATOM 0 HZ2 LYS A 115 14.065 6.802 11.059 1.00 3.58 H new ATOM 0 HZ3 LYS A 115 15.058 5.815 12.020 1.00 3.58 H new ATOM 1677 N ARG A 116 10.006 2.145 15.571 1.00 1.85 N ATOM 1678 CA ARG A 116 8.980 2.209 16.610 1.00 2.15 C ATOM 1679 C ARG A 116 7.757 1.432 16.102 1.00 1.73 C ATOM 1680 O ARG A 116 7.464 1.555 14.911 1.00 1.52 O ATOM 1681 CB ARG A 116 8.629 3.669 16.973 1.00 2.60 C ATOM 1682 CG ARG A 116 9.770 4.351 17.757 1.00 3.89 C ATOM 1683 CD ARG A 116 9.460 5.811 18.099 1.00 3.97 C ATOM 1684 NE ARG A 116 10.512 6.372 18.969 1.00 4.87 N ATOM 1685 CZ ARG A 116 10.533 7.586 19.519 1.00 5.34 C ATOM 1686 NH1 ARG A 116 9.614 8.501 19.274 1.00 5.26 N ATOM 1687 NH2 ARG A 116 11.492 7.886 20.367 1.00 6.39 N ATOM 0 H ARG A 116 9.612 2.236 14.635 1.00 1.85 H new ATOM 0 HA ARG A 116 9.348 1.758 17.532 1.00 2.15 H new ATOM 0 HB2 ARG A 116 8.426 4.232 16.062 1.00 2.60 H new ATOM 0 HB3 ARG A 116 7.716 3.687 17.569 1.00 2.60 H new ATOM 0 HG2 ARG A 116 9.954 3.797 18.678 1.00 3.89 H new ATOM 0 HG3 ARG A 116 10.687 4.306 17.169 1.00 3.89 H new ATOM 0 HD2 ARG A 116 9.386 6.397 17.183 1.00 3.97 H new ATOM 0 HD3 ARG A 116 8.493 5.876 18.598 1.00 3.97 H new ATOM 0 HE ARG A 116 11.308 5.766 19.171 1.00 4.87 H new ATOM 0 HH11 ARG A 116 8.844 8.293 18.639 1.00 5.26 H new ATOM 0 HH12 ARG A 116 9.674 9.416 19.720 1.00 5.26 H new ATOM 0 HH21 ARG A 116 12.206 7.194 20.595 1.00 6.39 H new ATOM 0 HH22 ARG A 116 11.522 8.811 20.796 1.00 6.39 H new ATOM 1701 N PRO A 117 7.096 0.630 16.958 1.00 1.96 N ATOM 1702 CA PRO A 117 5.958 -0.222 16.601 1.00 2.03 C ATOM 1703 C PRO A 117 4.695 0.622 16.408 1.00 1.85 C ATOM 1704 O PRO A 117 4.677 1.797 16.777 1.00 1.94 O ATOM 1705 CB PRO A 117 5.811 -1.202 17.771 1.00 2.60 C ATOM 1706 CG PRO A 117 6.295 -0.370 18.960 1.00 2.80 C ATOM 1707 CD PRO A 117 7.432 0.451 18.364 1.00 2.50 C ATOM 0 HA PRO A 117 6.112 -0.749 15.660 1.00 2.03 H new ATOM 0 HB2 PRO A 117 4.780 -1.531 17.898 1.00 2.60 H new ATOM 0 HB3 PRO A 117 6.416 -2.098 17.629 1.00 2.60 H new ATOM 0 HG2 PRO A 117 5.503 0.265 19.357 1.00 2.80 H new ATOM 0 HG3 PRO A 117 6.639 -1.000 19.780 1.00 2.80 H new ATOM 0 HD2 PRO A 117 7.527 1.412 18.869 1.00 2.50 H new ATOM 0 HD3 PRO A 117 8.386 -0.063 18.476 1.00 2.50 H new ATOM 1715 N LEU A 118 3.637 0.021 15.841 1.00 1.85 N ATOM 1716 CA LEU A 118 2.404 0.732 15.476 1.00 1.78 C ATOM 1717 C LEU A 118 1.136 -0.015 15.928 1.00 1.75 C ATOM 1718 O LEU A 118 0.828 -1.116 15.450 1.00 2.05 O ATOM 1719 CB LEU A 118 2.421 0.966 13.951 1.00 1.98 C ATOM 1720 CG LEU A 118 3.444 2.011 13.451 1.00 1.69 C ATOM 1721 CD1 LEU A 118 3.480 1.990 11.916 1.00 2.43 C ATOM 1722 CD2 LEU A 118 3.097 3.435 13.922 1.00 1.78 C ATOM 0 H LEU A 118 3.614 -0.975 15.623 1.00 1.85 H new ATOM 0 HA LEU A 118 2.373 1.688 15.998 1.00 1.78 H new ATOM 0 HB2 LEU A 118 2.627 0.016 13.457 1.00 1.98 H new ATOM 0 HB3 LEU A 118 1.425 1.279 13.638 1.00 1.98 H new ATOM 0 HG LEU A 118 4.416 1.746 13.867 1.00 1.69 H new ATOM 0 HD11 LEU A 118 4.200 2.726 11.559 1.00 2.43 H new ATOM 0 HD12 LEU A 118 3.774 0.998 11.572 1.00 2.43 H new ATOM 0 HD13 LEU A 118 2.491 2.231 11.526 1.00 2.43 H new ATOM 0 HD21 LEU A 118 3.844 4.135 13.546 1.00 1.78 H new ATOM 0 HD22 LEU A 118 2.114 3.715 13.542 1.00 1.78 H new ATOM 0 HD23 LEU A 118 3.087 3.466 15.012 1.00 1.78 H new ATOM 1734 N LYS A 119 0.369 0.632 16.818 1.00 1.66 N ATOM 1735 CA LYS A 119 -0.952 0.199 17.300 1.00 1.51 C ATOM 1736 C LYS A 119 -2.082 0.970 16.578 1.00 1.06 C ATOM 1737 O LYS A 119 -1.982 2.176 16.406 1.00 1.29 O ATOM 1738 CB LYS A 119 -1.019 0.405 18.836 1.00 2.01 C ATOM 1739 CG LYS A 119 -2.429 0.211 19.436 1.00 2.38 C ATOM 1740 CD LYS A 119 -2.480 0.278 20.973 1.00 2.92 C ATOM 1741 CE LYS A 119 -3.954 0.374 21.417 1.00 3.81 C ATOM 1742 NZ LYS A 119 -4.157 0.058 22.854 1.00 4.61 N ATOM 0 H LYS A 119 0.666 1.511 17.241 1.00 1.66 H new ATOM 0 HA LYS A 119 -1.094 -0.858 17.076 1.00 1.51 H new ATOM 0 HB2 LYS A 119 -0.332 -0.292 19.316 1.00 2.01 H new ATOM 0 HB3 LYS A 119 -0.670 1.410 19.073 1.00 2.01 H new ATOM 0 HG2 LYS A 119 -3.092 0.974 19.029 1.00 2.38 H new ATOM 0 HG3 LYS A 119 -2.818 -0.755 19.113 1.00 2.38 H new ATOM 0 HD2 LYS A 119 -2.012 -0.607 21.405 1.00 2.92 H new ATOM 0 HD3 LYS A 119 -1.921 1.142 21.332 1.00 2.92 H new ATOM 0 HE2 LYS A 119 -4.321 1.381 21.218 1.00 3.81 H new ATOM 0 HE3 LYS A 119 -4.553 -0.308 20.814 1.00 3.81 H new ATOM 0 HZ1 LYS A 119 -5.167 0.141 23.088 1.00 4.61 H new ATOM 0 HZ2 LYS A 119 -3.835 -0.912 23.045 1.00 4.61 H new ATOM 0 HZ3 LYS A 119 -3.611 0.724 23.437 1.00 4.61 H new ATOM 1756 N VAL A 120 -3.185 0.282 16.256 1.00 1.27 N ATOM 1757 CA VAL A 120 -4.440 0.771 15.614 1.00 1.45 C ATOM 1758 C VAL A 120 -4.667 2.292 15.637 1.00 1.91 C ATOM 1759 O VAL A 120 -4.557 2.970 14.627 1.00 3.13 O ATOM 1760 CB VAL A 120 -5.676 -0.026 16.117 1.00 1.70 C ATOM 1761 CG1 VAL A 120 -5.677 -0.322 17.625 1.00 1.78 C ATOM 1762 CG2 VAL A 120 -7.027 0.609 15.740 1.00 3.00 C ATOM 0 H VAL A 120 -3.240 -0.718 16.449 1.00 1.27 H new ATOM 0 HA VAL A 120 -4.300 0.566 14.553 1.00 1.45 H new ATOM 0 HB VAL A 120 -5.569 -0.971 15.584 1.00 1.70 H new ATOM 0 HG11 VAL A 120 -6.576 -0.881 17.885 1.00 1.78 H new ATOM 0 HG12 VAL A 120 -4.796 -0.911 17.881 1.00 1.78 H new ATOM 0 HG13 VAL A 120 -5.660 0.616 18.180 1.00 1.78 H new ATOM 0 HG21 VAL A 120 -7.839 -0.007 16.127 1.00 3.00 H new ATOM 0 HG22 VAL A 120 -7.092 1.608 16.171 1.00 3.00 H new ATOM 0 HG23 VAL A 120 -7.108 0.676 14.655 1.00 3.00 H new ATOM 1772 N GLY A 121 -4.980 2.849 16.795 1.00 1.52 N ATOM 1773 CA GLY A 121 -5.360 4.257 16.955 1.00 2.16 C ATOM 1774 C GLY A 121 -4.270 5.291 16.635 1.00 2.18 C ATOM 1775 O GLY A 121 -4.569 6.485 16.675 1.00 2.43 O ATOM 0 H GLY A 121 -4.979 2.330 17.673 1.00 1.52 H new ATOM 0 HA2 GLY A 121 -6.220 4.455 16.315 1.00 2.16 H new ATOM 0 HA3 GLY A 121 -5.686 4.410 17.984 1.00 2.16 H new ATOM 1779 N GLU A 122 -3.037 4.869 16.348 1.00 2.02 N ATOM 1780 CA GLU A 122 -1.911 5.716 15.973 1.00 2.00 C ATOM 1781 C GLU A 122 -1.976 6.046 14.468 1.00 1.79 C ATOM 1782 O GLU A 122 -2.357 5.211 13.634 1.00 1.72 O ATOM 1783 CB GLU A 122 -0.620 5.001 16.422 1.00 1.95 C ATOM 1784 CG GLU A 122 0.615 5.902 16.522 1.00 2.16 C ATOM 1785 CD GLU A 122 1.634 5.383 17.555 1.00 2.38 C ATOM 1786 OE1 GLU A 122 1.808 4.153 17.705 1.00 3.12 O ATOM 1787 OE2 GLU A 122 2.238 6.229 18.264 1.00 2.65 O ATOM 0 H GLU A 122 -2.788 3.880 16.373 1.00 2.02 H new ATOM 0 HA GLU A 122 -1.937 6.685 16.472 1.00 2.00 H new ATOM 0 HB2 GLU A 122 -0.796 4.541 17.395 1.00 1.95 H new ATOM 0 HB3 GLU A 122 -0.407 4.193 15.722 1.00 1.95 H new ATOM 0 HG2 GLU A 122 1.093 5.969 15.545 1.00 2.16 H new ATOM 0 HG3 GLU A 122 0.305 6.911 16.795 1.00 2.16 H new ATOM 1794 N THR A 123 -1.658 7.306 14.150 1.00 1.80 N ATOM 1795 CA THR A 123 -1.678 7.903 12.807 1.00 1.72 C ATOM 1796 C THR A 123 -0.345 7.654 12.122 1.00 1.34 C ATOM 1797 O THR A 123 0.697 7.620 12.772 1.00 1.52 O ATOM 1798 CB THR A 123 -1.999 9.398 12.919 1.00 2.30 C ATOM 1799 OG1 THR A 123 -3.286 9.495 13.475 1.00 2.82 O ATOM 1800 CG2 THR A 123 -2.028 10.140 11.579 1.00 2.81 C ATOM 0 H THR A 123 -1.363 7.975 14.861 1.00 1.80 H new ATOM 0 HA THR A 123 -2.454 7.442 12.197 1.00 1.72 H new ATOM 0 HB THR A 123 -1.212 9.856 13.518 1.00 2.30 H new ATOM 0 HG1 THR A 123 -3.532 10.439 13.567 1.00 2.82 H new ATOM 0 HG21 THR A 123 -2.262 11.191 11.750 1.00 2.81 H new ATOM 0 HG22 THR A 123 -1.054 10.059 11.097 1.00 2.81 H new ATOM 0 HG23 THR A 123 -2.789 9.699 10.935 1.00 2.81 H new ATOM 1808 N VAL A 124 -0.369 7.497 10.804 1.00 1.01 N ATOM 1809 CA VAL A 124 0.773 7.081 9.983 1.00 0.91 C ATOM 1810 C VAL A 124 1.009 8.123 8.894 1.00 0.75 C ATOM 1811 O VAL A 124 0.111 8.447 8.115 1.00 0.80 O ATOM 1812 CB VAL A 124 0.521 5.673 9.391 1.00 1.24 C ATOM 1813 CG1 VAL A 124 1.561 5.274 8.328 1.00 2.17 C ATOM 1814 CG2 VAL A 124 0.530 4.624 10.516 1.00 2.17 C ATOM 0 H VAL A 124 -1.212 7.660 10.253 1.00 1.01 H new ATOM 0 HA VAL A 124 1.672 7.016 10.596 1.00 0.91 H new ATOM 0 HB VAL A 124 -0.453 5.709 8.903 1.00 1.24 H new ATOM 0 HG11 VAL A 124 1.331 4.278 7.950 1.00 2.17 H new ATOM 0 HG12 VAL A 124 1.533 5.989 7.506 1.00 2.17 H new ATOM 0 HG13 VAL A 124 2.555 5.273 8.774 1.00 2.17 H new ATOM 0 HG21 VAL A 124 0.352 3.635 10.093 1.00 2.17 H new ATOM 0 HG22 VAL A 124 1.498 4.636 11.017 1.00 2.17 H new ATOM 0 HG23 VAL A 124 -0.254 4.857 11.237 1.00 2.17 H new ATOM 1824 N ASN A 125 2.243 8.621 8.821 1.00 0.82 N ATOM 1825 CA ASN A 125 2.677 9.434 7.688 1.00 0.88 C ATOM 1826 C ASN A 125 2.868 8.506 6.468 1.00 0.77 C ATOM 1827 O ASN A 125 3.703 7.598 6.512 1.00 0.86 O ATOM 1828 CB ASN A 125 3.982 10.180 8.040 1.00 1.13 C ATOM 1829 CG ASN A 125 3.827 11.345 9.024 1.00 1.43 C ATOM 1830 OD1 ASN A 125 3.894 12.511 8.649 1.00 2.28 O ATOM 1831 ND2 ASN A 125 3.667 11.098 10.314 1.00 2.01 N ATOM 0 H ASN A 125 2.959 8.475 9.533 1.00 0.82 H new ATOM 0 HA ASN A 125 1.926 10.187 7.449 1.00 0.88 H new ATOM 0 HB2 ASN A 125 4.688 9.464 8.459 1.00 1.13 H new ATOM 0 HB3 ASN A 125 4.423 10.561 7.119 1.00 1.13 H new ATOM 0 HD21 ASN A 125 3.602 11.870 10.977 1.00 2.01 H new ATOM 0 HD22 ASN A 125 3.609 10.135 10.646 1.00 2.01 H new ATOM 1838 N ILE A 126 2.087 8.693 5.394 1.00 0.81 N ATOM 1839 CA ILE A 126 2.109 7.821 4.202 1.00 0.82 C ATOM 1840 C ILE A 126 2.344 8.670 2.952 1.00 0.81 C ATOM 1841 O ILE A 126 1.891 9.818 2.866 1.00 0.83 O ATOM 1842 CB ILE A 126 0.836 6.932 4.176 1.00 0.93 C ATOM 1843 CG1 ILE A 126 1.125 5.455 3.837 1.00 1.19 C ATOM 1844 CG2 ILE A 126 -0.314 7.492 3.327 1.00 1.48 C ATOM 1845 CD1 ILE A 126 1.470 5.136 2.379 1.00 1.87 C ATOM 0 H ILE A 126 1.416 9.458 5.324 1.00 0.81 H new ATOM 0 HA ILE A 126 2.943 7.119 4.235 1.00 0.82 H new ATOM 0 HB ILE A 126 0.484 6.959 5.207 1.00 0.93 H new ATOM 0 HG12 ILE A 126 1.951 5.118 4.463 1.00 1.19 H new ATOM 0 HG13 ILE A 126 0.252 4.865 4.116 1.00 1.19 H new ATOM 0 HG21 ILE A 126 -1.162 6.808 3.366 1.00 1.48 H new ATOM 0 HG22 ILE A 126 -0.615 8.464 3.717 1.00 1.48 H new ATOM 0 HG23 ILE A 126 0.016 7.602 2.294 1.00 1.48 H new ATOM 0 HD11 ILE A 126 1.651 4.066 2.274 1.00 1.87 H new ATOM 0 HD12 ILE A 126 0.640 5.429 1.736 1.00 1.87 H new ATOM 0 HD13 ILE A 126 2.365 5.686 2.088 1.00 1.87 H new ATOM 1857 N THR A 127 3.132 8.158 2.005 1.00 0.83 N ATOM 1858 CA THR A 127 3.593 8.911 0.834 1.00 0.84 C ATOM 1859 C THR A 127 3.322 8.103 -0.427 1.00 0.75 C ATOM 1860 O THR A 127 3.607 6.913 -0.455 1.00 1.01 O ATOM 1861 CB THR A 127 5.081 9.245 0.987 1.00 1.03 C ATOM 1862 OG1 THR A 127 5.217 10.041 2.145 1.00 1.70 O ATOM 1863 CG2 THR A 127 5.625 10.066 -0.182 1.00 1.28 C ATOM 0 H THR A 127 3.473 7.197 2.029 1.00 0.83 H new ATOM 0 HA THR A 127 3.048 9.852 0.755 1.00 0.84 H new ATOM 0 HB THR A 127 5.633 8.306 1.034 1.00 1.03 H new ATOM 0 HG1 THR A 127 6.161 10.272 2.274 1.00 1.70 H new ATOM 0 HG21 THR A 127 6.683 10.273 -0.020 1.00 1.28 H new ATOM 0 HG22 THR A 127 5.503 9.505 -1.109 1.00 1.28 H new ATOM 0 HG23 THR A 127 5.078 11.006 -0.252 1.00 1.28 H new ATOM 1871 N LEU A 128 2.755 8.746 -1.445 1.00 0.71 N ATOM 1872 CA LEU A 128 2.386 8.131 -2.721 1.00 0.83 C ATOM 1873 C LEU A 128 2.242 9.212 -3.789 1.00 0.94 C ATOM 1874 O LEU A 128 1.730 10.283 -3.494 1.00 1.74 O ATOM 1875 CB LEU A 128 1.109 7.270 -2.588 1.00 1.33 C ATOM 1876 CG LEU A 128 -0.165 7.902 -1.977 1.00 1.25 C ATOM 1877 CD1 LEU A 128 -1.366 6.995 -2.276 1.00 2.23 C ATOM 1878 CD2 LEU A 128 -0.091 8.074 -0.453 1.00 2.68 C ATOM 0 H LEU A 128 2.532 9.741 -1.405 1.00 0.71 H new ATOM 0 HA LEU A 128 3.181 7.451 -3.028 1.00 0.83 H new ATOM 0 HB2 LEU A 128 0.851 6.909 -3.584 1.00 1.33 H new ATOM 0 HB3 LEU A 128 1.363 6.396 -1.987 1.00 1.33 H new ATOM 0 HG LEU A 128 -0.264 8.890 -2.426 1.00 1.25 H new ATOM 0 HD11 LEU A 128 -2.268 7.433 -1.849 1.00 2.23 H new ATOM 0 HD12 LEU A 128 -1.487 6.895 -3.355 1.00 2.23 H new ATOM 0 HD13 LEU A 128 -1.197 6.012 -1.837 1.00 2.23 H new ATOM 0 HD21 LEU A 128 -1.017 8.522 -0.092 1.00 2.68 H new ATOM 0 HD22 LEU A 128 0.048 7.100 0.017 1.00 2.68 H new ATOM 0 HD23 LEU A 128 0.748 8.722 -0.200 1.00 2.68 H new ATOM 1890 N LYS A 129 2.673 8.964 -5.028 1.00 0.92 N ATOM 1891 CA LYS A 129 2.791 10.020 -6.050 1.00 1.24 C ATOM 1892 C LYS A 129 2.449 9.509 -7.464 1.00 1.04 C ATOM 1893 O LYS A 129 2.672 8.342 -7.813 1.00 1.06 O ATOM 1894 CB LYS A 129 4.238 10.559 -5.985 1.00 1.86 C ATOM 1895 CG LYS A 129 4.437 11.938 -6.644 1.00 2.87 C ATOM 1896 CD LYS A 129 5.908 12.332 -6.840 1.00 3.29 C ATOM 1897 CE LYS A 129 6.674 11.328 -7.712 1.00 3.27 C ATOM 1898 NZ LYS A 129 8.043 11.793 -8.010 1.00 3.73 N ATOM 0 H LYS A 129 2.949 8.038 -5.354 1.00 0.92 H new ATOM 0 HA LYS A 129 2.072 10.813 -5.844 1.00 1.24 H new ATOM 0 HB2 LYS A 129 4.542 10.623 -4.940 1.00 1.86 H new ATOM 0 HB3 LYS A 129 4.902 9.841 -6.467 1.00 1.86 H new ATOM 0 HG2 LYS A 129 3.939 11.941 -7.614 1.00 2.87 H new ATOM 0 HG3 LYS A 129 3.947 12.695 -6.032 1.00 2.87 H new ATOM 0 HD2 LYS A 129 5.958 13.319 -7.299 1.00 3.29 H new ATOM 0 HD3 LYS A 129 6.393 12.408 -5.867 1.00 3.29 H new ATOM 0 HE2 LYS A 129 6.720 10.365 -7.203 1.00 3.27 H new ATOM 0 HE3 LYS A 129 6.133 11.170 -8.645 1.00 3.27 H new ATOM 0 HZ1 LYS A 129 8.528 11.088 -8.601 1.00 3.73 H new ATOM 0 HZ2 LYS A 129 7.999 12.699 -8.518 1.00 3.73 H new ATOM 0 HZ3 LYS A 129 8.568 11.920 -7.121 1.00 3.73 H new ATOM 1912 N ALA A 130 1.892 10.376 -8.305 1.00 1.23 N ATOM 1913 CA ALA A 130 1.887 10.175 -9.763 1.00 1.29 C ATOM 1914 C ALA A 130 3.307 10.283 -10.376 1.00 1.44 C ATOM 1915 O ALA A 130 4.204 10.882 -9.779 1.00 1.64 O ATOM 1916 CB ALA A 130 0.911 11.187 -10.381 1.00 1.59 C ATOM 0 H ALA A 130 1.432 11.235 -8.004 1.00 1.23 H new ATOM 0 HA ALA A 130 1.555 9.162 -9.989 1.00 1.29 H new ATOM 0 HB1 ALA A 130 0.890 11.058 -11.463 1.00 1.59 H new ATOM 0 HB2 ALA A 130 -0.088 11.023 -9.976 1.00 1.59 H new ATOM 0 HB3 ALA A 130 1.237 12.199 -10.143 1.00 1.59 H new ATOM 1922 N THR A 131 3.502 9.727 -11.576 1.00 1.71 N ATOM 1923 CA THR A 131 4.625 10.062 -12.467 1.00 2.23 C ATOM 1924 C THR A 131 4.465 11.484 -13.008 1.00 2.34 C ATOM 1925 O THR A 131 5.407 12.267 -12.957 1.00 3.18 O ATOM 1926 CB THR A 131 4.733 8.989 -13.568 1.00 2.62 C ATOM 1927 OG1 THR A 131 5.555 7.963 -13.065 1.00 2.99 O ATOM 1928 CG2 THR A 131 5.318 9.457 -14.897 1.00 4.16 C ATOM 0 H THR A 131 2.877 9.021 -11.964 1.00 1.71 H new ATOM 0 HA THR A 131 5.568 10.055 -11.920 1.00 2.23 H new ATOM 0 HB THR A 131 3.714 8.678 -13.796 1.00 2.62 H new ATOM 0 HG1 THR A 131 5.647 7.257 -13.739 1.00 2.99 H new ATOM 0 HG21 THR A 131 5.347 8.621 -15.596 1.00 4.16 H new ATOM 0 HG22 THR A 131 4.697 10.253 -15.308 1.00 4.16 H new ATOM 0 HG23 THR A 131 6.329 9.832 -14.738 1.00 4.16 H new ATOM 1936 N ASP A 132 3.253 11.822 -13.453 1.00 1.91 N ATOM 1937 CA ASP A 132 2.790 13.115 -13.953 1.00 2.38 C ATOM 1938 C ASP A 132 1.324 13.234 -13.516 1.00 2.89 C ATOM 1939 O ASP A 132 0.486 12.391 -13.837 1.00 3.69 O ATOM 1940 CB ASP A 132 2.884 13.202 -15.489 1.00 2.55 C ATOM 1941 CG ASP A 132 4.311 13.287 -16.030 1.00 2.93 C ATOM 1942 OD1 ASP A 132 5.078 14.169 -15.569 1.00 3.96 O ATOM 1943 OD2 ASP A 132 4.641 12.476 -16.931 1.00 3.22 O ATOM 0 H ASP A 132 2.502 11.132 -13.474 1.00 1.91 H new ATOM 0 HA ASP A 132 3.409 13.920 -13.557 1.00 2.38 H new ATOM 0 HB2 ASP A 132 2.396 12.328 -15.921 1.00 2.55 H new ATOM 0 HB3 ASP A 132 2.328 14.077 -15.826 1.00 2.55 H new ATOM 1948 N GLY A 133 1.044 14.253 -12.711 1.00 3.42 N ATOM 1949 CA GLY A 133 -0.205 14.427 -11.960 1.00 4.07 C ATOM 1950 C GLY A 133 0.086 14.886 -10.535 1.00 4.07 C ATOM 1951 O GLY A 133 0.978 15.715 -10.339 1.00 4.40 O ATOM 0 H GLY A 133 1.705 15.014 -12.554 1.00 3.42 H new ATOM 0 HA2 GLY A 133 -0.838 15.159 -12.461 1.00 4.07 H new ATOM 0 HA3 GLY A 133 -0.758 13.488 -11.940 1.00 4.07 H new ATOM 1955 N ARG A 134 -0.642 14.348 -9.546 1.00 4.15 N ATOM 1956 CA ARG A 134 -0.600 14.749 -8.137 1.00 4.55 C ATOM 1957 C ARG A 134 -0.418 13.557 -7.185 1.00 4.12 C ATOM 1958 O ARG A 134 -0.240 12.407 -7.605 1.00 4.62 O ATOM 1959 CB ARG A 134 -1.857 15.609 -7.809 1.00 5.79 C ATOM 1960 CG ARG A 134 -3.153 14.812 -7.524 1.00 7.75 C ATOM 1961 CD ARG A 134 -4.386 15.697 -7.263 1.00 9.20 C ATOM 1962 NE ARG A 134 -5.088 16.003 -8.515 1.00 10.61 N ATOM 1963 CZ ARG A 134 -6.360 15.794 -8.831 1.00 12.33 C ATOM 1964 NH1 ARG A 134 -7.285 15.410 -7.971 1.00 13.09 N ATOM 1965 NH2 ARG A 134 -6.706 15.967 -10.083 1.00 13.57 N ATOM 0 H ARG A 134 -1.303 13.590 -9.716 1.00 4.15 H new ATOM 0 HA ARG A 134 0.286 15.363 -7.975 1.00 4.55 H new ATOM 0 HB2 ARG A 134 -1.635 16.230 -6.941 1.00 5.79 H new ATOM 0 HB3 ARG A 134 -2.042 16.284 -8.645 1.00 5.79 H new ATOM 0 HG2 ARG A 134 -3.360 14.159 -8.372 1.00 7.75 H new ATOM 0 HG3 ARG A 134 -2.990 14.169 -6.659 1.00 7.75 H new ATOM 0 HD2 ARG A 134 -5.064 15.189 -6.577 1.00 9.20 H new ATOM 0 HD3 ARG A 134 -4.077 16.624 -6.779 1.00 9.20 H new ATOM 0 HE ARG A 134 -4.520 16.436 -9.243 1.00 10.61 H new ATOM 0 HH11 ARG A 134 -7.039 15.255 -6.993 1.00 13.09 H new ATOM 0 HH12 ARG A 134 -8.245 15.268 -8.284 1.00 13.09 H new ATOM 0 HH21 ARG A 134 -6.008 16.251 -10.770 1.00 13.57 H new ATOM 0 HH22 ARG A 134 -7.673 15.817 -10.370 1.00 13.57 H new ATOM 1979 N THR A 135 -0.529 13.878 -5.895 1.00 4.16 N ATOM 1980 CA THR A 135 -0.532 13.040 -4.676 1.00 3.93 C ATOM 1981 C THR A 135 0.875 13.042 -4.087 1.00 2.40 C ATOM 1982 O THR A 135 1.836 13.146 -4.846 1.00 2.47 O ATOM 1983 CB THR A 135 -1.094 11.611 -4.837 1.00 5.16 C ATOM 1984 OG1 THR A 135 -2.124 11.578 -5.798 1.00 6.53 O ATOM 1985 CG2 THR A 135 -1.714 11.114 -3.525 1.00 5.65 C ATOM 0 H THR A 135 -0.633 14.860 -5.639 1.00 4.16 H new ATOM 0 HA THR A 135 -1.244 13.494 -3.987 1.00 3.93 H new ATOM 0 HB THR A 135 -0.256 10.983 -5.139 1.00 5.16 H new ATOM 0 HG1 THR A 135 -2.760 10.868 -5.571 1.00 6.53 H new ATOM 0 HG21 THR A 135 -2.102 10.105 -3.665 1.00 5.65 H new ATOM 0 HG22 THR A 135 -0.954 11.105 -2.744 1.00 5.65 H new ATOM 0 HG23 THR A 135 -2.527 11.778 -3.232 1.00 5.65 H new ATOM 1993 N LEU A 136 0.979 12.999 -2.754 1.00 2.06 N ATOM 1994 CA LEU A 136 2.218 13.221 -2.004 1.00 1.38 C ATOM 1995 C LEU A 136 2.086 12.759 -0.537 1.00 1.09 C ATOM 1996 O LEU A 136 1.794 11.590 -0.285 1.00 0.97 O ATOM 1997 CB LEU A 136 2.752 14.665 -2.226 1.00 2.77 C ATOM 1998 CG LEU A 136 1.829 15.868 -1.900 1.00 3.34 C ATOM 1999 CD1 LEU A 136 2.701 17.128 -1.803 1.00 4.38 C ATOM 2000 CD2 LEU A 136 0.718 16.135 -2.931 1.00 3.95 C ATOM 0 H LEU A 136 0.180 12.803 -2.151 1.00 2.06 H new ATOM 0 HA LEU A 136 3.006 12.581 -2.400 1.00 1.38 H new ATOM 0 HB2 LEU A 136 3.658 14.775 -1.631 1.00 2.77 H new ATOM 0 HB3 LEU A 136 3.045 14.750 -3.272 1.00 2.77 H new ATOM 0 HG LEU A 136 1.325 15.618 -0.966 1.00 3.34 H new ATOM 0 HD11 LEU A 136 2.073 17.989 -1.574 1.00 4.38 H new ATOM 0 HD12 LEU A 136 3.441 16.999 -1.013 1.00 4.38 H new ATOM 0 HD13 LEU A 136 3.210 17.293 -2.753 1.00 4.38 H new ATOM 0 HD21 LEU A 136 0.127 16.995 -2.615 1.00 3.95 H new ATOM 0 HD22 LEU A 136 1.166 16.340 -3.903 1.00 3.95 H new ATOM 0 HD23 LEU A 136 0.073 15.259 -3.006 1.00 3.95 H new ATOM 2012 N ASN A 137 2.343 13.641 0.433 1.00 1.28 N ATOM 2013 CA ASN A 137 2.242 13.386 1.866 1.00 1.25 C ATOM 2014 C ASN A 137 0.773 13.282 2.309 1.00 1.34 C ATOM 2015 O ASN A 137 0.094 14.287 2.519 1.00 1.84 O ATOM 2016 CB ASN A 137 3.027 14.467 2.640 1.00 1.49 C ATOM 2017 CG ASN A 137 2.530 15.907 2.475 1.00 2.36 C ATOM 2018 OD1 ASN A 137 2.111 16.347 1.410 1.00 3.79 O ATOM 2019 ND2 ASN A 137 2.572 16.695 3.533 1.00 2.60 N ATOM 0 H ASN A 137 2.640 14.595 0.227 1.00 1.28 H new ATOM 0 HA ASN A 137 2.693 12.421 2.096 1.00 1.25 H new ATOM 0 HB2 ASN A 137 3.004 14.215 3.700 1.00 1.49 H new ATOM 0 HB3 ASN A 137 4.070 14.425 2.325 1.00 1.49 H new ATOM 0 HD21 ASN A 137 2.257 17.663 3.461 1.00 2.60 H new ATOM 0 HD22 ASN A 137 2.919 16.336 4.423 1.00 2.60 H new ATOM 2026 N VAL A 138 0.284 12.057 2.450 1.00 1.03 N ATOM 2027 CA VAL A 138 -1.098 11.707 2.799 1.00 1.14 C ATOM 2028 C VAL A 138 -1.153 11.244 4.266 1.00 0.99 C ATOM 2029 O VAL A 138 -0.168 10.739 4.812 1.00 1.09 O ATOM 2030 CB VAL A 138 -1.616 10.636 1.803 1.00 1.45 C ATOM 2031 CG1 VAL A 138 -2.961 9.994 2.184 1.00 1.63 C ATOM 2032 CG2 VAL A 138 -1.756 11.237 0.389 1.00 1.84 C ATOM 0 H VAL A 138 0.868 11.231 2.318 1.00 1.03 H new ATOM 0 HA VAL A 138 -1.756 12.572 2.715 1.00 1.14 H new ATOM 0 HB VAL A 138 -0.864 9.847 1.835 1.00 1.45 H new ATOM 0 HG11 VAL A 138 -3.240 9.259 1.429 1.00 1.63 H new ATOM 0 HG12 VAL A 138 -2.868 9.502 3.152 1.00 1.63 H new ATOM 0 HG13 VAL A 138 -3.729 10.765 2.241 1.00 1.63 H new ATOM 0 HG21 VAL A 138 -2.120 10.472 -0.297 1.00 1.84 H new ATOM 0 HG22 VAL A 138 -2.462 12.067 0.415 1.00 1.84 H new ATOM 0 HG23 VAL A 138 -0.785 11.597 0.049 1.00 1.84 H new ATOM 2042 N ALA A 139 -2.310 11.425 4.907 1.00 1.11 N ATOM 2043 CA ALA A 139 -2.604 10.912 6.244 1.00 1.17 C ATOM 2044 C ALA A 139 -3.171 9.476 6.190 1.00 1.19 C ATOM 2045 O ALA A 139 -4.175 9.225 5.528 1.00 1.44 O ATOM 2046 CB ALA A 139 -3.587 11.882 6.915 1.00 1.58 C ATOM 0 H ALA A 139 -3.087 11.946 4.499 1.00 1.11 H new ATOM 0 HA ALA A 139 -1.686 10.851 6.828 1.00 1.17 H new ATOM 0 HB1 ALA A 139 -3.825 11.524 7.917 1.00 1.58 H new ATOM 0 HB2 ALA A 139 -3.134 12.871 6.981 1.00 1.58 H new ATOM 0 HB3 ALA A 139 -4.501 11.941 6.324 1.00 1.58 H new ATOM 2052 N ALA A 140 -2.542 8.547 6.915 1.00 1.15 N ATOM 2053 CA ALA A 140 -3.004 7.171 7.104 1.00 1.17 C ATOM 2054 C ALA A 140 -3.193 6.849 8.594 1.00 1.16 C ATOM 2055 O ALA A 140 -2.829 7.640 9.471 1.00 1.21 O ATOM 2056 CB ALA A 140 -1.970 6.249 6.453 1.00 1.12 C ATOM 0 H ALA A 140 -1.667 8.740 7.403 1.00 1.15 H new ATOM 0 HA ALA A 140 -3.979 7.027 6.637 1.00 1.17 H new ATOM 0 HB1 ALA A 140 -2.281 5.211 6.574 1.00 1.12 H new ATOM 0 HB2 ALA A 140 -1.891 6.483 5.391 1.00 1.12 H new ATOM 0 HB3 ALA A 140 -1.001 6.395 6.930 1.00 1.12 H new ATOM 2062 N THR A 141 -3.714 5.663 8.911 1.00 1.20 N ATOM 2063 CA THR A 141 -3.873 5.193 10.302 1.00 1.34 C ATOM 2064 C THR A 141 -3.557 3.703 10.361 1.00 1.02 C ATOM 2065 O THR A 141 -3.426 3.040 9.329 1.00 0.96 O ATOM 2066 CB THR A 141 -5.286 5.500 10.836 1.00 1.95 C ATOM 2067 OG1 THR A 141 -5.709 6.782 10.415 1.00 2.28 O ATOM 2068 CG2 THR A 141 -5.371 5.545 12.364 1.00 2.32 C ATOM 0 H THR A 141 -4.041 4.994 8.214 1.00 1.20 H new ATOM 0 HA THR A 141 -3.175 5.726 10.948 1.00 1.34 H new ATOM 0 HB THR A 141 -5.904 4.690 10.447 1.00 1.95 H new ATOM 0 HG1 THR A 141 -6.608 6.960 10.761 1.00 2.28 H new ATOM 0 HG21 THR A 141 -6.395 5.766 12.665 1.00 2.32 H new ATOM 0 HG22 THR A 141 -5.073 4.580 12.774 1.00 2.32 H new ATOM 0 HG23 THR A 141 -4.706 6.321 12.743 1.00 2.32 H new ATOM 2076 N VAL A 142 -3.418 3.154 11.560 1.00 0.98 N ATOM 2077 CA VAL A 142 -3.295 1.707 11.749 1.00 0.79 C ATOM 2078 C VAL A 142 -4.716 1.152 12.019 1.00 0.86 C ATOM 2079 O VAL A 142 -5.611 1.909 12.381 1.00 1.07 O ATOM 2080 CB VAL A 142 -2.267 1.442 12.879 1.00 0.92 C ATOM 2081 CG1 VAL A 142 -1.909 -0.035 13.042 1.00 1.37 C ATOM 2082 CG2 VAL A 142 -0.945 2.221 12.774 1.00 1.25 C ATOM 0 H VAL A 142 -3.387 3.691 12.427 1.00 0.98 H new ATOM 0 HA VAL A 142 -2.912 1.187 10.871 1.00 0.79 H new ATOM 0 HB VAL A 142 -2.811 1.807 13.751 1.00 0.92 H new ATOM 0 HG11 VAL A 142 -1.186 -0.147 13.850 1.00 1.37 H new ATOM 0 HG12 VAL A 142 -2.808 -0.603 13.279 1.00 1.37 H new ATOM 0 HG13 VAL A 142 -1.477 -0.409 12.114 1.00 1.37 H new ATOM 0 HG21 VAL A 142 -0.301 1.960 13.614 1.00 1.25 H new ATOM 0 HG22 VAL A 142 -0.445 1.965 11.840 1.00 1.25 H new ATOM 0 HG23 VAL A 142 -1.151 3.291 12.793 1.00 1.25 H new ATOM 2092 N LYS A 143 -4.965 -0.154 11.860 1.00 0.91 N ATOM 2093 CA LYS A 143 -6.194 -0.809 12.350 1.00 1.08 C ATOM 2094 C LYS A 143 -6.049 -2.337 12.362 1.00 1.23 C ATOM 2095 O LYS A 143 -5.925 -2.977 11.316 1.00 1.67 O ATOM 2096 CB LYS A 143 -7.438 -0.376 11.532 1.00 1.32 C ATOM 2097 CG LYS A 143 -8.763 -0.518 12.299 1.00 1.72 C ATOM 2098 CD LYS A 143 -9.899 0.183 11.532 1.00 2.25 C ATOM 2099 CE LYS A 143 -11.240 0.016 12.257 1.00 2.85 C ATOM 2100 NZ LYS A 143 -12.331 0.774 11.595 1.00 3.43 N ATOM 0 H LYS A 143 -4.322 -0.790 11.388 1.00 0.91 H new ATOM 0 HA LYS A 143 -6.344 -0.480 13.378 1.00 1.08 H new ATOM 0 HB2 LYS A 143 -7.316 0.663 11.225 1.00 1.32 H new ATOM 0 HB3 LYS A 143 -7.489 -0.974 10.622 1.00 1.32 H new ATOM 0 HG2 LYS A 143 -9.002 -1.573 12.434 1.00 1.72 H new ATOM 0 HG3 LYS A 143 -8.664 -0.084 13.294 1.00 1.72 H new ATOM 0 HD2 LYS A 143 -9.670 1.243 11.425 1.00 2.25 H new ATOM 0 HD3 LYS A 143 -9.972 -0.230 10.526 1.00 2.25 H new ATOM 0 HE2 LYS A 143 -11.503 -1.041 12.292 1.00 2.85 H new ATOM 0 HE3 LYS A 143 -11.139 0.354 13.288 1.00 2.85 H new ATOM 0 HZ1 LYS A 143 -13.219 0.633 12.118 1.00 3.43 H new ATOM 0 HZ2 LYS A 143 -12.093 1.786 11.584 1.00 3.43 H new ATOM 0 HZ3 LYS A 143 -12.447 0.435 10.619 1.00 3.43 H new ATOM 2114 N LYS A 144 -6.062 -2.942 13.555 1.00 1.53 N ATOM 2115 CA LYS A 144 -5.982 -4.398 13.740 1.00 1.81 C ATOM 2116 C LYS A 144 -7.120 -5.128 12.988 1.00 2.29 C ATOM 2117 O LYS A 144 -8.271 -4.778 13.234 1.00 3.34 O ATOM 2118 CB LYS A 144 -5.981 -4.699 15.262 1.00 2.70 C ATOM 2119 CG LYS A 144 -7.244 -4.247 16.036 1.00 3.87 C ATOM 2120 CD LYS A 144 -7.133 -4.500 17.548 1.00 4.93 C ATOM 2121 CE LYS A 144 -8.472 -4.265 18.272 1.00 6.29 C ATOM 2122 NZ LYS A 144 -8.814 -2.831 18.448 1.00 7.43 N ATOM 0 H LYS A 144 -6.129 -2.427 14.433 1.00 1.53 H new ATOM 0 HA LYS A 144 -5.057 -4.779 13.307 1.00 1.81 H new ATOM 0 HB2 LYS A 144 -5.857 -5.773 15.401 1.00 2.70 H new ATOM 0 HB3 LYS A 144 -5.111 -4.217 15.709 1.00 2.70 H new ATOM 0 HG2 LYS A 144 -7.412 -3.184 15.861 1.00 3.87 H new ATOM 0 HG3 LYS A 144 -8.113 -4.776 15.646 1.00 3.87 H new ATOM 0 HD2 LYS A 144 -6.802 -5.524 17.721 1.00 4.93 H new ATOM 0 HD3 LYS A 144 -6.372 -3.844 17.971 1.00 4.93 H new ATOM 0 HE2 LYS A 144 -9.269 -4.753 17.710 1.00 6.29 H new ATOM 0 HE3 LYS A 144 -8.434 -4.743 19.251 1.00 6.29 H new ATOM 0 HZ1 LYS A 144 -9.726 -2.750 18.942 1.00 7.43 H new ATOM 0 HZ2 LYS A 144 -8.074 -2.364 19.009 1.00 7.43 H new ATOM 0 HZ3 LYS A 144 -8.883 -2.374 17.517 1.00 7.43 H new ATOM 2136 N ASN A 145 -6.808 -6.094 12.101 1.00 2.31 N ATOM 2137 CA ASN A 145 -7.774 -6.948 11.352 1.00 3.29 C ATOM 2138 C ASN A 145 -7.100 -7.918 10.335 1.00 3.21 C ATOM 2139 O ASN A 145 -7.642 -8.199 9.266 1.00 4.20 O ATOM 2140 CB ASN A 145 -8.953 -6.134 10.742 1.00 4.74 C ATOM 2141 CG ASN A 145 -10.285 -6.507 11.389 1.00 5.80 C ATOM 2142 OD1 ASN A 145 -10.943 -7.459 10.994 1.00 6.10 O ATOM 2143 ND2 ASN A 145 -10.694 -5.813 12.431 1.00 6.81 N ATOM 0 H ASN A 145 -5.839 -6.316 11.872 1.00 2.31 H new ATOM 0 HA ASN A 145 -8.221 -7.602 12.101 1.00 3.29 H new ATOM 0 HB2 ASN A 145 -8.768 -5.068 10.876 1.00 4.74 H new ATOM 0 HB3 ASN A 145 -9.005 -6.316 9.669 1.00 4.74 H new ATOM 0 HD21 ASN A 145 -11.559 -6.070 12.907 1.00 6.81 H new ATOM 0 HD22 ASN A 145 -10.146 -5.019 12.762 1.00 6.81 H new ATOM 2150 N ILE A 146 -5.878 -8.396 10.639 1.00 2.62 N ATOM 2151 CA ILE A 146 -5.054 -9.235 9.733 1.00 3.11 C ATOM 2152 C ILE A 146 -4.500 -10.461 10.477 1.00 3.38 C ATOM 2153 O ILE A 146 -4.714 -11.591 10.044 1.00 4.18 O ATOM 2154 CB ILE A 146 -3.919 -8.401 9.070 1.00 3.30 C ATOM 2155 CG1 ILE A 146 -4.381 -7.286 8.094 1.00 4.72 C ATOM 2156 CG2 ILE A 146 -2.980 -9.324 8.261 1.00 4.09 C ATOM 2157 CD1 ILE A 146 -4.996 -6.028 8.724 1.00 5.70 C ATOM 0 H ILE A 146 -5.424 -8.210 11.533 1.00 2.62 H new ATOM 0 HA ILE A 146 -5.696 -9.599 8.931 1.00 3.11 H new ATOM 0 HB ILE A 146 -3.431 -7.918 9.916 1.00 3.30 H new ATOM 0 HG12 ILE A 146 -3.523 -6.981 7.495 1.00 4.72 H new ATOM 0 HG13 ILE A 146 -5.112 -7.715 7.409 1.00 4.72 H new ATOM 0 HG21 ILE A 146 -2.191 -8.728 7.802 1.00 4.09 H new ATOM 0 HG22 ILE A 146 -2.536 -10.064 8.926 1.00 4.09 H new ATOM 0 HG23 ILE A 146 -3.550 -9.831 7.483 1.00 4.09 H new ATOM 0 HD11 ILE A 146 -5.277 -5.327 7.938 1.00 5.70 H new ATOM 0 HD12 ILE A 146 -5.881 -6.304 9.297 1.00 5.70 H new ATOM 0 HD13 ILE A 146 -4.267 -5.559 9.385 1.00 5.70 H new ATOM 2169 N GLU A 147 -3.818 -10.247 11.609 1.00 3.12 N ATOM 2170 CA GLU A 147 -3.434 -11.265 12.588 1.00 3.76 C ATOM 2171 C GLU A 147 -3.216 -10.527 13.935 1.00 3.57 C ATOM 2172 O GLU A 147 -4.132 -9.815 14.347 1.00 4.75 O ATOM 2173 CB GLU A 147 -2.277 -12.148 12.042 1.00 4.72 C ATOM 2174 CG GLU A 147 -2.393 -13.610 12.506 1.00 5.59 C ATOM 2175 CD GLU A 147 -1.593 -14.577 11.625 1.00 6.78 C ATOM 2176 OE1 GLU A 147 -2.002 -14.811 10.464 1.00 7.61 O ATOM 2177 OE2 GLU A 147 -0.592 -15.145 12.136 1.00 7.38 O ATOM 0 H GLU A 147 -3.505 -9.314 11.878 1.00 3.12 H new ATOM 0 HA GLU A 147 -4.205 -12.012 12.776 1.00 3.76 H new ATOM 0 HB2 GLU A 147 -2.279 -12.113 10.953 1.00 4.72 H new ATOM 0 HB3 GLU A 147 -1.323 -11.738 12.373 1.00 4.72 H new ATOM 0 HG2 GLU A 147 -2.043 -13.689 13.535 1.00 5.59 H new ATOM 0 HG3 GLU A 147 -3.442 -13.906 12.503 1.00 5.59 H new