USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 635 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 191 GLN : amide:sc= -0.676 K(o=-0.68,f=-0.16) USER MOD Set 1.2: A 193 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 113 CYS SG : rot 149:sc= 0.977 USER MOD Set 2.2: A 194 TYR OH : rot 152:sc= 0.0596 USER MOD Single : A 89 SER OG : rot -160:sc= -0.269 USER MOD Single : A 90 SER OG : rot 47:sc= 0.111 USER MOD Single : A 101 LYS NZ :NH3+ -165:sc= -0.137 (180deg=-0.666) USER MOD Single : A 103 LYS NZ :NH3+ 172:sc= -0.0059 (180deg=-0.0925) USER MOD Single : A 104 MET CE :methyl 153:sc= -3.77 (180deg=-4.71!) USER MOD Single : A 167 SER OG : rot 180:sc= 0 USER MOD Single : A 170 LYS NZ :NH3+ -169:sc= -0.0123 (180deg=-0.152) USER MOD Single : A 171 TYR OH : rot 180:sc= 0 USER MOD Single : A 176 CYS SG : rot -29:sc= 0.171 USER MOD Single : A 177 SER OG : rot 180:sc= 0 USER MOD Single : A 178 CYS SG : rot 180:sc= 0 USER MOD Single : A 181 GLN : amide:sc= -0.509 X(o=-0.51,f=-0.071) USER MOD Single : A 182 ASN : amide:sc= -6.57! C(o=-6.6!,f=-8.7!) USER MOD Single : A 184 THR OG1 : rot 180:sc= 0 USER MOD Single : A 185 MET CE :methyl -126:sc= -0.507 (180deg=-1.92) USER MOD Single : A 186 CYS SG : rot 180:sc= -0.126 USER MOD Single : A 187 GLN : amide:sc= -0.636 X(o=-0.64,f=-0.34) USER MOD Single : A 189 SER OG : rot 180:sc= 0 USER MOD Single : A 195 LYS NZ :NH3+ -164:sc= -0.0661 (180deg=-0.368) USER MOD Single : A 198 LYS NZ :NH3+ -141:sc= 0.265 (180deg=0) USER MOD Single : A 209 HIS : no HD1:sc= -1.2 K(o=-1.2,f=-0.5) USER MOD ----------------------------------------------------------------- ATOM 388 N ILE A 78 -7.749 4.629 4.969 1.00 1.90 N ATOM 389 CA ILE A 78 -6.566 3.795 5.072 1.00 1.74 C ATOM 390 C ILE A 78 -5.800 4.141 6.342 1.00 1.48 C ATOM 391 O ILE A 78 -5.360 5.280 6.504 1.00 1.42 O ATOM 392 CB ILE A 78 -5.635 4.002 3.861 1.00 1.86 C ATOM 393 CG1 ILE A 78 -6.403 3.816 2.548 1.00 2.18 C ATOM 394 CG2 ILE A 78 -4.456 3.042 3.929 1.00 1.84 C ATOM 395 CD1 ILE A 78 -5.593 4.175 1.320 1.00 2.45 C ATOM 0 HA ILE A 78 -6.890 2.755 5.097 1.00 1.74 H new ATOM 0 HB ILE A 78 -5.254 5.023 3.892 1.00 1.86 H new ATOM 0 HG12 ILE A 78 -6.727 2.778 2.469 1.00 2.18 H new ATOM 0 HG13 ILE A 78 -7.303 4.430 2.572 1.00 2.18 H new ATOM 0 HG21 ILE A 78 -3.808 3.200 3.067 1.00 1.84 H new ATOM 0 HG22 ILE A 78 -3.893 3.222 4.845 1.00 1.84 H new ATOM 0 HG23 ILE A 78 -4.822 2.015 3.924 1.00 1.84 H new ATOM 0 HD11 ILE A 78 -6.198 4.020 0.427 1.00 2.45 H new ATOM 0 HD12 ILE A 78 -5.291 5.221 1.376 1.00 2.45 H new ATOM 0 HD13 ILE A 78 -4.706 3.543 1.272 1.00 2.45 H new ATOM 407 N PRO A 79 -5.652 3.185 7.269 1.00 1.44 N ATOM 408 CA PRO A 79 -4.878 3.395 8.495 1.00 1.27 C ATOM 409 C PRO A 79 -3.414 3.699 8.193 1.00 1.11 C ATOM 410 O PRO A 79 -2.696 2.861 7.640 1.00 1.23 O ATOM 411 CB PRO A 79 -4.999 2.060 9.238 1.00 1.50 C ATOM 412 CG PRO A 79 -6.179 1.380 8.636 1.00 1.75 C ATOM 413 CD PRO A 79 -6.234 1.837 7.206 1.00 1.70 C ATOM 0 HA PRO A 79 -5.246 4.246 9.069 1.00 1.27 H new ATOM 0 HB2 PRO A 79 -4.097 1.460 9.119 1.00 1.50 H new ATOM 0 HB3 PRO A 79 -5.139 2.217 10.308 1.00 1.50 H new ATOM 0 HG2 PRO A 79 -6.078 0.296 8.696 1.00 1.75 H new ATOM 0 HG3 PRO A 79 -7.094 1.644 9.166 1.00 1.75 H new ATOM 0 HD2 PRO A 79 -5.662 1.181 6.550 1.00 1.70 H new ATOM 0 HD3 PRO A 79 -7.256 1.856 6.827 1.00 1.70 H new ATOM 421 N ILE A 80 -2.976 4.895 8.557 1.00 0.93 N ATOM 422 CA ILE A 80 -1.614 5.325 8.292 1.00 0.82 C ATOM 423 C ILE A 80 -0.944 5.798 9.578 1.00 0.72 C ATOM 424 O ILE A 80 -1.583 6.429 10.425 1.00 0.74 O ATOM 425 CB ILE A 80 -1.542 6.468 7.239 1.00 0.86 C ATOM 426 CG1 ILE A 80 -2.171 7.769 7.767 1.00 0.89 C ATOM 427 CG2 ILE A 80 -2.220 6.051 5.945 1.00 1.01 C ATOM 428 CD1 ILE A 80 -3.686 7.774 7.786 1.00 0.99 C ATOM 0 H ILE A 80 -3.549 5.587 9.039 1.00 0.93 H new ATOM 0 HA ILE A 80 -1.091 4.458 7.888 1.00 0.82 H new ATOM 0 HB ILE A 80 -0.487 6.659 7.042 1.00 0.86 H new ATOM 0 HG12 ILE A 80 -1.807 7.949 8.779 1.00 0.89 H new ATOM 0 HG13 ILE A 80 -1.826 8.600 7.152 1.00 0.89 H new ATOM 0 HG21 ILE A 80 -2.158 6.865 5.223 1.00 1.01 H new ATOM 0 HG22 ILE A 80 -1.722 5.169 5.541 1.00 1.01 H new ATOM 0 HG23 ILE A 80 -3.267 5.819 6.141 1.00 1.01 H new ATOM 0 HD11 ILE A 80 -4.042 8.729 8.172 1.00 0.99 H new ATOM 0 HD12 ILE A 80 -4.063 7.629 6.774 1.00 0.99 H new ATOM 0 HD13 ILE A 80 -4.045 6.968 8.426 1.00 0.99 H new ATOM 440 N PRO A 81 0.346 5.475 9.752 1.00 0.68 N ATOM 441 CA PRO A 81 1.129 5.949 10.896 1.00 0.67 C ATOM 442 C PRO A 81 1.186 7.473 10.946 1.00 0.64 C ATOM 443 O PRO A 81 1.372 8.125 9.918 1.00 0.61 O ATOM 444 CB PRO A 81 2.527 5.375 10.642 1.00 0.69 C ATOM 445 CG PRO A 81 2.314 4.231 9.711 1.00 0.71 C ATOM 446 CD PRO A 81 1.134 4.606 8.863 1.00 0.73 C ATOM 0 HA PRO A 81 0.697 5.636 11.847 1.00 0.67 H new ATOM 0 HB2 PRO A 81 3.186 6.123 10.202 1.00 0.69 H new ATOM 0 HB3 PRO A 81 2.993 5.046 11.571 1.00 0.69 H new ATOM 0 HG2 PRO A 81 3.197 4.058 9.096 1.00 0.71 H new ATOM 0 HG3 PRO A 81 2.123 3.310 10.261 1.00 0.71 H new ATOM 0 HD2 PRO A 81 1.439 5.128 7.956 1.00 0.73 H new ATOM 0 HD3 PRO A 81 0.567 3.729 8.551 1.00 0.73 H new ATOM 454 N ALA A 82 1.052 8.029 12.146 1.00 0.75 N ATOM 455 CA ALA A 82 1.043 9.480 12.338 1.00 0.80 C ATOM 456 C ALA A 82 2.413 10.087 12.050 1.00 0.71 C ATOM 457 O ALA A 82 2.591 11.307 12.088 1.00 0.78 O ATOM 458 CB ALA A 82 0.603 9.818 13.752 1.00 1.04 C ATOM 0 H ALA A 82 0.947 7.494 13.008 1.00 0.75 H new ATOM 0 HA ALA A 82 0.333 9.909 11.631 1.00 0.80 H new ATOM 0 HB1 ALA A 82 0.600 10.900 13.883 1.00 1.04 H new ATOM 0 HB2 ALA A 82 -0.401 9.429 13.924 1.00 1.04 H new ATOM 0 HB3 ALA A 82 1.293 9.368 14.465 1.00 1.04 H new ATOM 464 N ASP A 83 3.378 9.224 11.768 1.00 0.67 N ATOM 465 CA ASP A 83 4.723 9.649 11.403 1.00 0.70 C ATOM 466 C ASP A 83 4.702 10.256 10.002 1.00 0.55 C ATOM 467 O ASP A 83 5.558 11.064 9.639 1.00 0.60 O ATOM 468 CB ASP A 83 5.670 8.445 11.450 1.00 0.88 C ATOM 469 CG ASP A 83 7.032 8.778 12.029 1.00 1.05 C ATOM 470 OD1 ASP A 83 7.158 8.803 13.276 1.00 1.39 O ATOM 471 OD2 ASP A 83 7.982 8.992 11.252 1.00 1.66 O ATOM 0 H ASP A 83 3.252 8.212 11.785 1.00 0.67 H new ATOM 0 HA ASP A 83 5.076 10.402 12.108 1.00 0.70 H new ATOM 0 HB2 ASP A 83 5.213 7.654 12.045 1.00 0.88 H new ATOM 0 HB3 ASP A 83 5.797 8.052 10.441 1.00 0.88 H new ATOM 476 N PHE A 84 3.689 9.871 9.231 1.00 0.45 N ATOM 477 CA PHE A 84 3.510 10.364 7.872 1.00 0.41 C ATOM 478 C PHE A 84 2.090 10.885 7.721 1.00 0.40 C ATOM 479 O PHE A 84 1.295 10.802 8.660 1.00 0.56 O ATOM 480 CB PHE A 84 3.773 9.248 6.853 1.00 0.42 C ATOM 481 CG PHE A 84 4.859 8.309 7.284 1.00 0.56 C ATOM 482 CD1 PHE A 84 4.552 7.053 7.774 1.00 0.66 C ATOM 483 CD2 PHE A 84 6.190 8.678 7.173 1.00 0.79 C ATOM 484 CE1 PHE A 84 5.553 6.180 8.145 1.00 0.87 C ATOM 485 CE2 PHE A 84 7.194 7.808 7.548 1.00 0.98 C ATOM 486 CZ PHE A 84 6.863 6.587 8.122 1.00 1.00 C ATOM 0 H PHE A 84 2.972 9.210 9.531 1.00 0.45 H new ATOM 0 HA PHE A 84 4.221 11.168 7.684 1.00 0.41 H new ATOM 0 HB2 PHE A 84 2.854 8.684 6.694 1.00 0.42 H new ATOM 0 HB3 PHE A 84 4.043 9.693 5.896 1.00 0.42 H new ATOM 0 HD1 PHE A 84 3.519 6.753 7.867 1.00 0.66 H new ATOM 0 HD2 PHE A 84 6.444 9.655 6.790 1.00 0.79 H new ATOM 0 HE1 PHE A 84 5.306 5.175 8.454 1.00 0.87 H new ATOM 0 HE2 PHE A 84 8.229 8.075 7.396 1.00 0.98 H new ATOM 0 HZ PHE A 84 7.633 5.961 8.548 1.00 1.00 H new ATOM 496 N GLU A 85 1.759 11.425 6.563 1.00 0.39 N ATOM 497 CA GLU A 85 0.413 11.918 6.347 1.00 0.44 C ATOM 498 C GLU A 85 -0.018 11.703 4.908 1.00 0.39 C ATOM 499 O GLU A 85 0.712 12.033 3.974 1.00 0.40 O ATOM 500 CB GLU A 85 0.326 13.398 6.713 1.00 0.61 C ATOM 501 CG GLU A 85 -1.096 13.897 6.891 1.00 1.15 C ATOM 502 CD GLU A 85 -1.145 15.353 7.294 1.00 1.60 C ATOM 503 OE1 GLU A 85 -0.386 15.749 8.200 1.00 1.88 O ATOM 504 OE2 GLU A 85 -1.946 16.107 6.708 1.00 2.27 O ATOM 0 H GLU A 85 2.392 11.532 5.770 1.00 0.39 H new ATOM 0 HA GLU A 85 -0.264 11.357 6.991 1.00 0.44 H new ATOM 0 HB2 GLU A 85 0.880 13.569 7.636 1.00 0.61 H new ATOM 0 HB3 GLU A 85 0.814 13.985 5.935 1.00 0.61 H new ATOM 0 HG2 GLU A 85 -1.646 13.761 5.960 1.00 1.15 H new ATOM 0 HG3 GLU A 85 -1.598 13.295 7.649 1.00 1.15 H new ATOM 511 N LEU A 86 -1.205 11.151 4.735 1.00 0.41 N ATOM 512 CA LEU A 86 -1.729 10.873 3.411 1.00 0.43 C ATOM 513 C LEU A 86 -2.568 12.042 2.936 1.00 0.44 C ATOM 514 O LEU A 86 -3.447 12.524 3.652 1.00 0.48 O ATOM 515 CB LEU A 86 -2.554 9.587 3.433 1.00 0.52 C ATOM 516 CG LEU A 86 -2.919 8.991 2.066 1.00 0.59 C ATOM 517 CD1 LEU A 86 -3.268 7.522 2.217 1.00 0.79 C ATOM 518 CD2 LEU A 86 -4.087 9.732 1.428 1.00 0.70 C ATOM 0 H LEU A 86 -1.827 10.885 5.499 1.00 0.41 H new ATOM 0 HA LEU A 86 -0.900 10.736 2.717 1.00 0.43 H new ATOM 0 HB2 LEU A 86 -2.002 8.836 3.998 1.00 0.52 H new ATOM 0 HB3 LEU A 86 -3.477 9.782 3.979 1.00 0.52 H new ATOM 0 HG LEU A 86 -2.052 9.098 1.414 1.00 0.59 H new ATOM 0 HD11 LEU A 86 -3.526 7.107 1.242 1.00 0.79 H new ATOM 0 HD12 LEU A 86 -2.412 6.985 2.625 1.00 0.79 H new ATOM 0 HD13 LEU A 86 -4.117 7.417 2.892 1.00 0.79 H new ATOM 0 HD21 LEU A 86 -4.318 9.284 0.462 1.00 0.70 H new ATOM 0 HD22 LEU A 86 -4.960 9.664 2.078 1.00 0.70 H new ATOM 0 HD23 LEU A 86 -3.820 10.779 1.287 1.00 0.70 H new ATOM 530 N ARG A 87 -2.292 12.482 1.726 1.00 0.47 N ATOM 531 CA ARG A 87 -2.961 13.630 1.146 1.00 0.55 C ATOM 532 C ARG A 87 -3.042 13.469 -0.361 1.00 0.61 C ATOM 533 O ARG A 87 -2.190 12.816 -0.964 1.00 0.66 O ATOM 534 CB ARG A 87 -2.181 14.910 1.445 1.00 0.62 C ATOM 535 CG ARG A 87 -2.150 15.333 2.903 1.00 0.69 C ATOM 536 CD ARG A 87 -1.531 16.714 3.038 1.00 1.04 C ATOM 537 NE ARG A 87 -1.004 16.968 4.374 1.00 1.63 N ATOM 538 CZ ARG A 87 0.062 17.732 4.615 1.00 2.32 C ATOM 539 NH1 ARG A 87 0.677 18.356 3.617 1.00 2.62 N ATOM 540 NH2 ARG A 87 0.502 17.880 5.855 1.00 3.21 N ATOM 0 H ARG A 87 -1.596 12.054 1.115 1.00 0.47 H new ATOM 0 HA ARG A 87 -3.960 13.696 1.578 1.00 0.55 H new ATOM 0 HB2 ARG A 87 -1.155 14.778 1.102 1.00 0.62 H new ATOM 0 HB3 ARG A 87 -2.611 15.722 0.859 1.00 0.62 H new ATOM 0 HG2 ARG A 87 -3.162 15.339 3.309 1.00 0.69 H new ATOM 0 HG3 ARG A 87 -1.577 14.612 3.486 1.00 0.69 H new ATOM 0 HD2 ARG A 87 -0.728 16.820 2.309 1.00 1.04 H new ATOM 0 HD3 ARG A 87 -2.280 17.468 2.798 1.00 1.04 H new ATOM 0 HE ARG A 87 -1.477 16.537 5.168 1.00 1.63 H new ATOM 0 HH11 ARG A 87 0.334 18.252 2.662 1.00 2.62 H new ATOM 0 HH12 ARG A 87 1.492 18.940 3.806 1.00 2.62 H new ATOM 0 HH21 ARG A 87 0.026 17.410 6.625 1.00 3.21 H new ATOM 0 HH22 ARG A 87 1.317 18.464 6.041 1.00 3.21 H new ATOM 554 N GLU A 88 -4.062 14.045 -0.969 1.00 0.73 N ATOM 555 CA GLU A 88 -4.101 14.127 -2.413 1.00 0.84 C ATOM 556 C GLU A 88 -3.281 15.326 -2.855 1.00 0.87 C ATOM 557 O GLU A 88 -3.682 16.474 -2.654 1.00 0.98 O ATOM 558 CB GLU A 88 -5.534 14.265 -2.914 1.00 1.06 C ATOM 559 CG GLU A 88 -6.423 13.097 -2.542 1.00 1.61 C ATOM 560 CD GLU A 88 -7.814 13.243 -3.108 1.00 1.96 C ATOM 561 OE1 GLU A 88 -8.687 13.791 -2.406 1.00 2.46 O ATOM 562 OE2 GLU A 88 -8.047 12.799 -4.254 1.00 2.21 O ATOM 0 H GLU A 88 -4.864 14.457 -0.492 1.00 0.73 H new ATOM 0 HA GLU A 88 -3.686 13.211 -2.834 1.00 0.84 H new ATOM 0 HB2 GLU A 88 -5.964 15.181 -2.510 1.00 1.06 H new ATOM 0 HB3 GLU A 88 -5.522 14.370 -3.999 1.00 1.06 H new ATOM 0 HG2 GLU A 88 -5.978 12.172 -2.908 1.00 1.61 H new ATOM 0 HG3 GLU A 88 -6.480 13.016 -1.457 1.00 1.61 H new ATOM 569 N SER A 89 -2.143 15.054 -3.460 1.00 0.85 N ATOM 570 CA SER A 89 -1.221 16.094 -3.876 1.00 0.95 C ATOM 571 C SER A 89 -0.298 15.547 -4.950 1.00 0.90 C ATOM 572 O SER A 89 0.811 15.104 -4.659 1.00 1.11 O ATOM 573 CB SER A 89 -0.391 16.588 -2.684 1.00 1.03 C ATOM 574 OG SER A 89 -1.217 17.034 -1.616 1.00 1.58 O ATOM 0 H SER A 89 -1.830 14.108 -3.677 1.00 0.85 H new ATOM 0 HA SER A 89 -1.792 16.934 -4.272 1.00 0.95 H new ATOM 0 HB2 SER A 89 0.255 15.784 -2.333 1.00 1.03 H new ATOM 0 HB3 SER A 89 0.259 17.402 -3.006 1.00 1.03 H new ATOM 0 HG SER A 89 -0.699 17.619 -1.025 1.00 1.58 H new ATOM 580 N SER A 90 -0.776 15.542 -6.180 1.00 0.86 N ATOM 581 CA SER A 90 0.004 15.033 -7.288 1.00 0.88 C ATOM 582 C SER A 90 1.197 15.939 -7.576 1.00 0.87 C ATOM 583 O SER A 90 1.047 17.036 -8.118 1.00 1.02 O ATOM 584 CB SER A 90 -0.887 14.899 -8.521 1.00 1.13 C ATOM 585 OG SER A 90 -1.695 16.054 -8.687 1.00 1.86 O ATOM 0 H SER A 90 -1.702 15.885 -6.435 1.00 0.86 H new ATOM 0 HA SER A 90 0.394 14.050 -7.024 1.00 0.88 H new ATOM 0 HB2 SER A 90 -0.270 14.751 -9.407 1.00 1.13 H new ATOM 0 HB3 SER A 90 -1.521 14.017 -8.423 1.00 1.13 H new ATOM 0 HG SER A 90 -1.142 16.857 -8.586 1.00 1.86 H new ATOM 591 N ILE A 91 2.374 15.484 -7.188 1.00 0.86 N ATOM 592 CA ILE A 91 3.598 16.209 -7.473 1.00 1.01 C ATOM 593 C ILE A 91 4.045 15.895 -8.901 1.00 1.09 C ATOM 594 O ILE A 91 4.195 14.727 -9.270 1.00 1.08 O ATOM 595 CB ILE A 91 4.706 15.884 -6.425 1.00 1.10 C ATOM 596 CG1 ILE A 91 6.053 16.550 -6.778 1.00 1.35 C ATOM 597 CG2 ILE A 91 4.872 14.383 -6.255 1.00 1.07 C ATOM 598 CD1 ILE A 91 6.948 15.733 -7.696 1.00 1.45 C ATOM 0 H ILE A 91 2.508 14.614 -6.673 1.00 0.86 H new ATOM 0 HA ILE A 91 3.411 17.280 -7.396 1.00 1.01 H new ATOM 0 HB ILE A 91 4.379 16.303 -5.474 1.00 1.10 H new ATOM 0 HG12 ILE A 91 5.854 17.512 -7.250 1.00 1.35 H new ATOM 0 HG13 ILE A 91 6.594 16.754 -5.854 1.00 1.35 H new ATOM 0 HG21 ILE A 91 5.651 14.184 -5.519 1.00 1.07 H new ATOM 0 HG22 ILE A 91 3.932 13.949 -5.915 1.00 1.07 H new ATOM 0 HG23 ILE A 91 5.153 13.938 -7.209 1.00 1.07 H new ATOM 0 HD11 ILE A 91 7.870 16.281 -7.888 1.00 1.45 H new ATOM 0 HD12 ILE A 91 7.184 14.781 -7.221 1.00 1.45 H new ATOM 0 HD13 ILE A 91 6.432 15.550 -8.639 1.00 1.45 H new ATOM 610 N PRO A 92 4.209 16.944 -9.731 1.00 1.24 N ATOM 611 CA PRO A 92 4.562 16.802 -11.148 1.00 1.37 C ATOM 612 C PRO A 92 5.753 15.881 -11.383 1.00 1.47 C ATOM 613 O PRO A 92 6.869 16.172 -10.953 1.00 1.61 O ATOM 614 CB PRO A 92 4.908 18.230 -11.572 1.00 1.58 C ATOM 615 CG PRO A 92 4.121 19.095 -10.655 1.00 1.59 C ATOM 616 CD PRO A 92 4.053 18.361 -9.344 1.00 1.37 C ATOM 0 HA PRO A 92 3.748 16.350 -11.715 1.00 1.37 H new ATOM 0 HB2 PRO A 92 5.977 18.423 -11.479 1.00 1.58 H new ATOM 0 HB3 PRO A 92 4.641 18.410 -12.613 1.00 1.58 H new ATOM 0 HG2 PRO A 92 4.597 20.068 -10.533 1.00 1.59 H new ATOM 0 HG3 PRO A 92 3.122 19.277 -11.052 1.00 1.59 H new ATOM 0 HD2 PRO A 92 4.843 18.680 -8.664 1.00 1.37 H new ATOM 0 HD3 PRO A 92 3.105 18.536 -8.835 1.00 1.37 H new ATOM 624 N GLY A 93 5.504 14.768 -12.057 1.00 1.47 N ATOM 625 CA GLY A 93 6.573 13.848 -12.386 1.00 1.62 C ATOM 626 C GLY A 93 6.515 12.573 -11.576 1.00 1.58 C ATOM 627 O GLY A 93 7.175 11.590 -11.909 1.00 1.74 O ATOM 0 H GLY A 93 4.580 14.485 -12.382 1.00 1.47 H new ATOM 0 HA2 GLY A 93 6.522 13.602 -13.447 1.00 1.62 H new ATOM 0 HA3 GLY A 93 7.532 14.337 -12.218 1.00 1.62 H new ATOM 631 N ALA A 94 5.729 12.579 -10.510 1.00 1.40 N ATOM 632 CA ALA A 94 5.608 11.402 -9.662 1.00 1.40 C ATOM 633 C ALA A 94 4.149 11.027 -9.433 1.00 1.27 C ATOM 634 O ALA A 94 3.736 9.894 -9.697 1.00 1.38 O ATOM 635 CB ALA A 94 6.305 11.644 -8.337 1.00 1.41 C ATOM 0 H ALA A 94 5.170 13.378 -10.213 1.00 1.40 H new ATOM 0 HA ALA A 94 6.088 10.567 -10.173 1.00 1.40 H new ATOM 0 HB1 ALA A 94 6.210 10.758 -7.709 1.00 1.41 H new ATOM 0 HB2 ALA A 94 7.360 11.852 -8.514 1.00 1.41 H new ATOM 0 HB3 ALA A 94 5.847 12.496 -7.835 1.00 1.41 H new ATOM 641 N GLY A 95 3.377 11.978 -8.928 1.00 1.09 N ATOM 642 CA GLY A 95 1.967 11.753 -8.709 1.00 1.02 C ATOM 643 C GLY A 95 1.576 11.936 -7.259 1.00 0.91 C ATOM 644 O GLY A 95 2.143 12.779 -6.566 1.00 1.02 O ATOM 0 H GLY A 95 3.707 12.907 -8.665 1.00 1.09 H new ATOM 0 HA2 GLY A 95 1.391 12.441 -9.328 1.00 1.02 H new ATOM 0 HA3 GLY A 95 1.708 10.743 -9.028 1.00 1.02 H new ATOM 648 N LEU A 96 0.599 11.162 -6.802 1.00 0.79 N ATOM 649 CA LEU A 96 0.165 11.205 -5.407 1.00 0.70 C ATOM 650 C LEU A 96 1.238 10.634 -4.485 1.00 0.65 C ATOM 651 O LEU A 96 2.108 9.897 -4.935 1.00 0.99 O ATOM 652 CB LEU A 96 -1.165 10.448 -5.231 1.00 0.77 C ATOM 653 CG LEU A 96 -1.293 9.106 -5.972 1.00 1.35 C ATOM 654 CD1 LEU A 96 -0.366 8.050 -5.388 1.00 2.05 C ATOM 655 CD2 LEU A 96 -2.733 8.621 -5.933 1.00 2.31 C ATOM 0 H LEU A 96 0.089 10.493 -7.379 1.00 0.79 H new ATOM 0 HA LEU A 96 0.006 12.248 -5.132 1.00 0.70 H new ATOM 0 HB2 LEU A 96 -1.316 10.266 -4.167 1.00 0.77 H new ATOM 0 HB3 LEU A 96 -1.975 11.099 -5.561 1.00 0.77 H new ATOM 0 HG LEU A 96 -0.997 9.270 -7.008 1.00 1.35 H new ATOM 0 HD11 LEU A 96 -0.486 7.117 -5.938 1.00 2.05 H new ATOM 0 HD12 LEU A 96 0.667 8.388 -5.468 1.00 2.05 H new ATOM 0 HD13 LEU A 96 -0.615 7.887 -4.339 1.00 2.05 H new ATOM 0 HD21 LEU A 96 -2.811 7.670 -6.461 1.00 2.31 H new ATOM 0 HD22 LEU A 96 -3.044 8.488 -4.897 1.00 2.31 H new ATOM 0 HD23 LEU A 96 -3.378 9.357 -6.413 1.00 2.31 H new ATOM 667 N GLY A 97 1.184 10.991 -3.210 1.00 0.59 N ATOM 668 CA GLY A 97 2.148 10.481 -2.255 1.00 0.57 C ATOM 669 C GLY A 97 1.761 10.810 -0.827 1.00 0.52 C ATOM 670 O GLY A 97 0.805 11.556 -0.598 1.00 0.55 O ATOM 0 H GLY A 97 0.488 11.626 -2.819 1.00 0.59 H new ATOM 0 HA2 GLY A 97 2.233 9.400 -2.368 1.00 0.57 H new ATOM 0 HA3 GLY A 97 3.130 10.902 -2.471 1.00 0.57 H new ATOM 674 N VAL A 98 2.488 10.253 0.131 1.00 0.48 N ATOM 675 CA VAL A 98 2.247 10.550 1.536 1.00 0.46 C ATOM 676 C VAL A 98 3.377 11.415 2.087 1.00 0.47 C ATOM 677 O VAL A 98 4.546 11.033 2.078 1.00 0.67 O ATOM 678 CB VAL A 98 2.075 9.275 2.402 1.00 0.47 C ATOM 679 CG1 VAL A 98 0.855 8.485 1.955 1.00 0.49 C ATOM 680 CG2 VAL A 98 3.313 8.391 2.368 1.00 0.53 C ATOM 0 H VAL A 98 3.248 9.594 -0.038 1.00 0.48 H new ATOM 0 HA VAL A 98 1.304 11.095 1.590 1.00 0.46 H new ATOM 0 HB VAL A 98 1.931 9.603 3.432 1.00 0.47 H new ATOM 0 HG11 VAL A 98 0.751 7.594 2.575 1.00 0.49 H new ATOM 0 HG12 VAL A 98 -0.037 9.104 2.057 1.00 0.49 H new ATOM 0 HG13 VAL A 98 0.975 8.190 0.913 1.00 0.49 H new ATOM 0 HG21 VAL A 98 3.148 7.510 2.988 1.00 0.53 H new ATOM 0 HG22 VAL A 98 3.511 8.081 1.342 1.00 0.53 H new ATOM 0 HG23 VAL A 98 4.169 8.948 2.750 1.00 0.53 H new ATOM 690 N TRP A 99 3.027 12.591 2.568 1.00 0.38 N ATOM 691 CA TRP A 99 4.024 13.550 2.996 1.00 0.39 C ATOM 692 C TRP A 99 4.485 13.255 4.412 1.00 0.35 C ATOM 693 O TRP A 99 3.741 13.436 5.377 1.00 0.38 O ATOM 694 CB TRP A 99 3.475 14.971 2.899 1.00 0.44 C ATOM 695 CG TRP A 99 2.961 15.312 1.532 1.00 0.50 C ATOM 696 CD1 TRP A 99 1.696 15.704 1.214 1.00 0.66 C ATOM 697 CD2 TRP A 99 3.693 15.269 0.300 1.00 0.62 C ATOM 698 NE1 TRP A 99 1.598 15.926 -0.137 1.00 0.69 N ATOM 699 CE2 TRP A 99 2.808 15.662 -0.722 1.00 0.66 C ATOM 700 CE3 TRP A 99 5.010 14.942 -0.040 1.00 0.88 C ATOM 701 CZ2 TRP A 99 3.199 15.736 -2.058 1.00 0.82 C ATOM 702 CZ3 TRP A 99 5.395 15.015 -1.364 1.00 1.13 C ATOM 703 CH2 TRP A 99 4.491 15.411 -2.359 1.00 1.06 C ATOM 0 H TRP A 99 2.062 12.905 2.672 1.00 0.38 H new ATOM 0 HA TRP A 99 4.885 13.464 2.333 1.00 0.39 H new ATOM 0 HB2 TRP A 99 2.670 15.093 3.624 1.00 0.44 H new ATOM 0 HB3 TRP A 99 4.260 15.677 3.172 1.00 0.44 H new ATOM 0 HD1 TRP A 99 0.888 15.823 1.921 1.00 0.66 H new ATOM 0 HE1 TRP A 99 0.759 16.237 -0.627 1.00 0.69 H new ATOM 0 HE3 TRP A 99 5.714 14.638 0.720 1.00 0.88 H new ATOM 0 HZ2 TRP A 99 2.505 16.040 -2.828 1.00 0.82 H new ATOM 0 HZ3 TRP A 99 6.409 14.763 -1.637 1.00 1.13 H new ATOM 0 HH2 TRP A 99 4.823 15.460 -3.386 1.00 1.06 H new ATOM 714 N ALA A 100 5.708 12.761 4.523 1.00 0.39 N ATOM 715 CA ALA A 100 6.314 12.521 5.815 1.00 0.42 C ATOM 716 C ALA A 100 6.597 13.842 6.515 1.00 0.43 C ATOM 717 O ALA A 100 7.395 14.648 6.034 1.00 0.49 O ATOM 718 CB ALA A 100 7.596 11.713 5.655 1.00 0.54 C ATOM 0 H ALA A 100 6.299 12.519 3.728 1.00 0.39 H new ATOM 0 HA ALA A 100 5.620 11.946 6.428 1.00 0.42 H new ATOM 0 HB1 ALA A 100 8.041 11.540 6.635 1.00 0.54 H new ATOM 0 HB2 ALA A 100 7.367 10.756 5.186 1.00 0.54 H new ATOM 0 HB3 ALA A 100 8.298 12.265 5.030 1.00 0.54 H new ATOM 724 N LYS A 101 5.928 14.072 7.640 1.00 0.47 N ATOM 725 CA LYS A 101 6.144 15.290 8.412 1.00 0.57 C ATOM 726 C LYS A 101 7.307 15.081 9.368 1.00 0.56 C ATOM 727 O LYS A 101 7.743 16.001 10.065 1.00 0.63 O ATOM 728 CB LYS A 101 4.881 15.697 9.193 1.00 0.69 C ATOM 729 CG LYS A 101 4.568 14.814 10.397 1.00 1.17 C ATOM 730 CD LYS A 101 3.674 13.643 10.029 1.00 0.84 C ATOM 731 CE LYS A 101 2.237 14.071 9.804 1.00 0.88 C ATOM 732 NZ LYS A 101 1.669 14.792 10.977 1.00 1.68 N ATOM 0 H LYS A 101 5.236 13.435 8.035 1.00 0.47 H new ATOM 0 HA LYS A 101 6.376 16.099 7.719 1.00 0.57 H new ATOM 0 HB2 LYS A 101 4.996 16.726 9.534 1.00 0.69 H new ATOM 0 HB3 LYS A 101 4.028 15.679 8.514 1.00 0.69 H new ATOM 0 HG2 LYS A 101 5.499 14.439 10.823 1.00 1.17 H new ATOM 0 HG3 LYS A 101 4.082 15.412 11.168 1.00 1.17 H new ATOM 0 HD2 LYS A 101 4.055 13.166 9.126 1.00 0.84 H new ATOM 0 HD3 LYS A 101 3.710 12.897 10.823 1.00 0.84 H new ATOM 0 HE2 LYS A 101 2.186 14.715 8.926 1.00 0.88 H new ATOM 0 HE3 LYS A 101 1.628 13.192 9.591 1.00 0.88 H new ATOM 0 HZ1 LYS A 101 0.634 14.840 10.887 1.00 1.68 H new ATOM 0 HZ2 LYS A 101 1.918 14.285 11.850 1.00 1.68 H new ATOM 0 HZ3 LYS A 101 2.058 15.756 11.014 1.00 1.68 H new ATOM 746 N ARG A 102 7.798 13.856 9.390 1.00 0.54 N ATOM 747 CA ARG A 102 8.900 13.480 10.247 1.00 0.58 C ATOM 748 C ARG A 102 9.967 12.782 9.413 1.00 0.54 C ATOM 749 O ARG A 102 9.681 12.283 8.322 1.00 0.54 O ATOM 750 CB ARG A 102 8.405 12.549 11.349 1.00 0.72 C ATOM 751 CG ARG A 102 9.377 12.407 12.503 1.00 0.83 C ATOM 752 CD ARG A 102 8.904 11.359 13.486 1.00 1.16 C ATOM 753 NE ARG A 102 9.782 11.257 14.644 1.00 1.80 N ATOM 754 CZ ARG A 102 9.904 10.165 15.394 1.00 2.52 C ATOM 755 NH1 ARG A 102 9.236 9.060 15.086 1.00 2.75 N ATOM 756 NH2 ARG A 102 10.707 10.178 16.449 1.00 3.50 N ATOM 0 H ARG A 102 7.442 13.095 8.812 1.00 0.54 H new ATOM 0 HA ARG A 102 9.326 14.371 10.707 1.00 0.58 H new ATOM 0 HB2 ARG A 102 7.454 12.922 11.729 1.00 0.72 H new ATOM 0 HB3 ARG A 102 8.213 11.564 10.923 1.00 0.72 H new ATOM 0 HG2 ARG A 102 10.362 12.135 12.122 1.00 0.83 H new ATOM 0 HG3 ARG A 102 9.485 13.365 13.012 1.00 0.83 H new ATOM 0 HD2 ARG A 102 7.895 11.603 13.817 1.00 1.16 H new ATOM 0 HD3 ARG A 102 8.850 10.392 12.986 1.00 1.16 H new ATOM 0 HE ARG A 102 10.338 12.074 14.896 1.00 1.80 H new ATOM 0 HH11 ARG A 102 8.624 9.045 14.270 1.00 2.75 H new ATOM 0 HH12 ARG A 102 9.334 8.226 15.665 1.00 2.75 H new ATOM 0 HH21 ARG A 102 11.228 11.023 16.683 1.00 3.50 H new ATOM 0 HH22 ARG A 102 10.803 9.343 17.027 1.00 3.50 H new ATOM 770 N LYS A 103 11.186 12.754 9.919 1.00 0.59 N ATOM 771 CA LYS A 103 12.291 12.155 9.191 1.00 0.63 C ATOM 772 C LYS A 103 12.348 10.651 9.442 1.00 0.68 C ATOM 773 O LYS A 103 12.156 10.183 10.565 1.00 0.82 O ATOM 774 CB LYS A 103 13.630 12.818 9.574 1.00 0.73 C ATOM 775 CG LYS A 103 14.254 12.316 10.873 1.00 0.98 C ATOM 776 CD LYS A 103 13.334 12.518 12.064 1.00 1.17 C ATOM 777 CE LYS A 103 13.909 11.894 13.326 1.00 2.05 C ATOM 778 NZ LYS A 103 15.208 12.506 13.709 1.00 2.40 N ATOM 0 H LYS A 103 11.437 13.138 10.830 1.00 0.59 H new ATOM 0 HA LYS A 103 12.123 12.322 8.127 1.00 0.63 H new ATOM 0 HB2 LYS A 103 14.341 12.660 8.763 1.00 0.73 H new ATOM 0 HB3 LYS A 103 13.474 13.894 9.656 1.00 0.73 H new ATOM 0 HG2 LYS A 103 14.492 11.257 10.775 1.00 0.98 H new ATOM 0 HG3 LYS A 103 15.194 12.839 11.049 1.00 0.98 H new ATOM 0 HD2 LYS A 103 13.174 13.584 12.225 1.00 1.17 H new ATOM 0 HD3 LYS A 103 12.360 12.078 11.851 1.00 1.17 H new ATOM 0 HE2 LYS A 103 13.198 12.011 14.144 1.00 2.05 H new ATOM 0 HE3 LYS A 103 14.044 10.824 13.172 1.00 2.05 H new ATOM 0 HZ1 LYS A 103 15.498 12.150 14.642 1.00 2.40 H new ATOM 0 HZ2 LYS A 103 15.930 12.257 13.004 1.00 2.40 H new ATOM 0 HZ3 LYS A 103 15.106 13.540 13.750 1.00 2.40 H new ATOM 792 N MET A 104 12.578 9.901 8.387 1.00 0.73 N ATOM 793 CA MET A 104 12.826 8.475 8.501 1.00 0.83 C ATOM 794 C MET A 104 14.322 8.243 8.541 1.00 0.87 C ATOM 795 O MET A 104 15.019 8.565 7.584 1.00 0.93 O ATOM 796 CB MET A 104 12.198 7.741 7.320 1.00 0.85 C ATOM 797 CG MET A 104 10.688 7.632 7.410 1.00 0.97 C ATOM 798 SD MET A 104 9.913 7.473 5.795 1.00 1.22 S ATOM 799 CE MET A 104 10.071 9.158 5.226 1.00 0.92 C ATOM 0 H MET A 104 12.599 10.256 7.431 1.00 0.73 H new ATOM 0 HA MET A 104 12.377 8.090 9.416 1.00 0.83 H new ATOM 0 HB2 MET A 104 12.463 8.259 6.398 1.00 0.85 H new ATOM 0 HB3 MET A 104 12.624 6.740 7.257 1.00 0.85 H new ATOM 0 HG2 MET A 104 10.425 6.770 8.022 1.00 0.97 H new ATOM 0 HG3 MET A 104 10.292 8.514 7.914 1.00 0.97 H new ATOM 0 HE1 MET A 104 10.104 9.173 4.137 1.00 0.92 H new ATOM 0 HE2 MET A 104 9.217 9.740 5.571 1.00 0.92 H new ATOM 0 HE3 MET A 104 10.989 9.591 5.622 1.00 0.92 H new ATOM 809 N GLU A 105 14.814 7.711 9.650 1.00 0.90 N ATOM 810 CA GLU A 105 16.249 7.629 9.879 1.00 0.93 C ATOM 811 C GLU A 105 16.879 6.469 9.111 1.00 0.89 C ATOM 812 O GLU A 105 16.187 5.655 8.495 1.00 1.13 O ATOM 813 CB GLU A 105 16.554 7.501 11.372 1.00 1.08 C ATOM 814 CG GLU A 105 16.253 6.130 11.951 1.00 1.64 C ATOM 815 CD GLU A 105 16.720 5.990 13.382 1.00 1.94 C ATOM 816 OE1 GLU A 105 15.881 6.109 14.299 1.00 2.25 O ATOM 817 OE2 GLU A 105 17.930 5.769 13.599 1.00 2.31 O ATOM 0 H GLU A 105 14.242 7.330 10.404 1.00 0.90 H new ATOM 0 HA GLU A 105 16.689 8.554 9.507 1.00 0.93 H new ATOM 0 HB2 GLU A 105 17.607 7.730 11.538 1.00 1.08 H new ATOM 0 HB3 GLU A 105 15.975 8.248 11.915 1.00 1.08 H new ATOM 0 HG2 GLU A 105 15.180 5.947 11.903 1.00 1.64 H new ATOM 0 HG3 GLU A 105 16.734 5.367 11.339 1.00 1.64 H new ATOM 824 N ALA A 106 18.203 6.408 9.163 1.00 0.78 N ATOM 825 CA ALA A 106 18.965 5.401 8.442 1.00 0.78 C ATOM 826 C ALA A 106 18.641 3.991 8.925 1.00 0.76 C ATOM 827 O ALA A 106 18.846 3.657 10.095 1.00 0.78 O ATOM 828 CB ALA A 106 20.453 5.679 8.587 1.00 0.84 C ATOM 0 H ALA A 106 18.776 7.054 9.705 1.00 0.78 H new ATOM 0 HA ALA A 106 18.685 5.458 7.390 1.00 0.78 H new ATOM 0 HB1 ALA A 106 21.019 4.922 8.045 1.00 0.84 H new ATOM 0 HB2 ALA A 106 20.681 6.664 8.179 1.00 0.84 H new ATOM 0 HB3 ALA A 106 20.727 5.651 9.642 1.00 0.84 H new ATOM 834 N GLY A 107 18.115 3.174 8.022 1.00 0.83 N ATOM 835 CA GLY A 107 17.890 1.777 8.327 1.00 0.91 C ATOM 836 C GLY A 107 16.484 1.491 8.810 1.00 0.87 C ATOM 837 O GLY A 107 16.155 0.345 9.125 1.00 1.04 O ATOM 0 H GLY A 107 17.840 3.456 7.081 1.00 0.83 H new ATOM 0 HA2 GLY A 107 18.090 1.181 7.437 1.00 0.91 H new ATOM 0 HA3 GLY A 107 18.601 1.459 9.090 1.00 0.91 H new ATOM 841 N GLU A 108 15.647 2.518 8.873 1.00 0.71 N ATOM 842 CA GLU A 108 14.281 2.335 9.334 1.00 0.74 C ATOM 843 C GLU A 108 13.429 1.760 8.202 1.00 0.61 C ATOM 844 O GLU A 108 13.875 1.712 7.056 1.00 0.61 O ATOM 845 CB GLU A 108 13.708 3.648 9.882 1.00 0.87 C ATOM 846 CG GLU A 108 12.965 4.503 8.870 1.00 0.85 C ATOM 847 CD GLU A 108 11.503 4.654 9.257 1.00 1.78 C ATOM 848 OE1 GLU A 108 10.730 3.690 9.078 1.00 2.62 O ATOM 849 OE2 GLU A 108 11.131 5.724 9.783 1.00 2.13 O ATOM 0 H GLU A 108 15.887 3.475 8.614 1.00 0.71 H new ATOM 0 HA GLU A 108 14.270 1.622 10.158 1.00 0.74 H new ATOM 0 HB2 GLU A 108 13.031 3.415 10.704 1.00 0.87 H new ATOM 0 HB3 GLU A 108 14.525 4.236 10.300 1.00 0.87 H new ATOM 0 HG2 GLU A 108 13.432 5.486 8.806 1.00 0.85 H new ATOM 0 HG3 GLU A 108 13.039 4.050 7.881 1.00 0.85 H new ATOM 856 N ARG A 109 12.227 1.304 8.513 1.00 0.63 N ATOM 857 CA ARG A 109 11.438 0.568 7.540 1.00 0.56 C ATOM 858 C ARG A 109 9.937 0.839 7.686 1.00 0.46 C ATOM 859 O ARG A 109 9.380 0.741 8.781 1.00 0.55 O ATOM 860 CB ARG A 109 11.754 -0.929 7.686 1.00 0.73 C ATOM 861 CG ARG A 109 10.844 -1.858 6.901 1.00 0.80 C ATOM 862 CD ARG A 109 9.637 -2.277 7.726 1.00 1.22 C ATOM 863 NE ARG A 109 10.013 -3.072 8.893 1.00 2.02 N ATOM 864 CZ ARG A 109 9.503 -2.901 10.111 1.00 2.71 C ATOM 865 NH1 ARG A 109 8.644 -1.912 10.347 1.00 2.91 N ATOM 866 NH2 ARG A 109 9.869 -3.706 11.099 1.00 3.62 N ATOM 0 H ARG A 109 11.780 1.429 9.421 1.00 0.63 H new ATOM 0 HA ARG A 109 11.707 0.906 6.539 1.00 0.56 H new ATOM 0 HB2 ARG A 109 12.783 -1.100 7.369 1.00 0.73 H new ATOM 0 HB3 ARG A 109 11.697 -1.196 8.741 1.00 0.73 H new ATOM 0 HG2 ARG A 109 10.510 -1.360 5.991 1.00 0.80 H new ATOM 0 HG3 ARG A 109 11.402 -2.743 6.594 1.00 0.80 H new ATOM 0 HD2 ARG A 109 9.097 -1.389 8.053 1.00 1.22 H new ATOM 0 HD3 ARG A 109 8.955 -2.853 7.101 1.00 1.22 H new ATOM 0 HE ARG A 109 10.711 -3.805 8.766 1.00 2.02 H new ATOM 0 HH11 ARG A 109 8.373 -1.281 9.593 1.00 2.91 H new ATOM 0 HH12 ARG A 109 8.256 -1.785 11.282 1.00 2.91 H new ATOM 0 HH21 ARG A 109 10.540 -4.454 10.925 1.00 3.62 H new ATOM 0 HH22 ARG A 109 9.480 -3.577 12.033 1.00 3.62 H new ATOM 880 N LEU A 110 9.289 1.155 6.563 1.00 0.38 N ATOM 881 CA LEU A 110 7.837 1.332 6.531 1.00 0.39 C ATOM 882 C LEU A 110 7.183 -0.017 6.266 1.00 0.49 C ATOM 883 O LEU A 110 7.685 -0.801 5.454 1.00 0.53 O ATOM 884 CB LEU A 110 7.388 2.312 5.430 1.00 0.35 C ATOM 885 CG LEU A 110 8.218 3.583 5.246 1.00 0.35 C ATOM 886 CD1 LEU A 110 7.430 4.607 4.435 1.00 0.39 C ATOM 887 CD2 LEU A 110 8.626 4.167 6.587 1.00 0.41 C ATOM 0 H LEU A 110 9.748 1.294 5.663 1.00 0.38 H new ATOM 0 HA LEU A 110 7.535 1.744 7.494 1.00 0.39 H new ATOM 0 HB2 LEU A 110 7.379 1.774 4.482 1.00 0.35 H new ATOM 0 HB3 LEU A 110 6.360 2.607 5.639 1.00 0.35 H new ATOM 0 HG LEU A 110 9.127 3.325 4.703 1.00 0.35 H new ATOM 0 HD11 LEU A 110 8.028 5.509 4.309 1.00 0.39 H new ATOM 0 HD12 LEU A 110 7.191 4.190 3.457 1.00 0.39 H new ATOM 0 HD13 LEU A 110 6.507 4.854 4.960 1.00 0.39 H new ATOM 0 HD21 LEU A 110 9.215 5.070 6.427 1.00 0.41 H new ATOM 0 HD22 LEU A 110 7.734 4.413 7.163 1.00 0.41 H new ATOM 0 HD23 LEU A 110 9.222 3.438 7.135 1.00 0.41 H new ATOM 899 N GLY A 111 6.080 -0.297 6.938 1.00 0.61 N ATOM 900 CA GLY A 111 5.389 -1.543 6.697 1.00 0.77 C ATOM 901 C GLY A 111 4.220 -1.760 7.627 1.00 0.88 C ATOM 902 O GLY A 111 4.018 -0.983 8.560 1.00 1.02 O ATOM 0 H GLY A 111 5.654 0.309 7.639 1.00 0.61 H new ATOM 0 HA2 GLY A 111 5.034 -1.562 5.666 1.00 0.77 H new ATOM 0 HA3 GLY A 111 6.092 -2.369 6.807 1.00 0.77 H new ATOM 906 N PRO A 112 3.430 -2.817 7.399 1.00 1.23 N ATOM 907 CA PRO A 112 3.626 -3.730 6.269 1.00 1.24 C ATOM 908 C PRO A 112 3.044 -3.181 4.967 1.00 1.05 C ATOM 909 O PRO A 112 2.098 -2.394 4.979 1.00 1.19 O ATOM 910 CB PRO A 112 2.875 -4.984 6.710 1.00 1.78 C ATOM 911 CG PRO A 112 1.780 -4.485 7.589 1.00 2.10 C ATOM 912 CD PRO A 112 2.288 -3.220 8.239 1.00 1.83 C ATOM 0 HA PRO A 112 4.681 -3.898 6.051 1.00 1.24 H new ATOM 0 HB2 PRO A 112 2.477 -5.528 5.853 1.00 1.78 H new ATOM 0 HB3 PRO A 112 3.531 -5.669 7.246 1.00 1.78 H new ATOM 0 HG2 PRO A 112 0.878 -4.287 7.010 1.00 2.10 H new ATOM 0 HG3 PRO A 112 1.518 -5.229 8.342 1.00 2.10 H new ATOM 0 HD2 PRO A 112 1.519 -2.448 8.263 1.00 1.83 H new ATOM 0 HD3 PRO A 112 2.594 -3.397 9.270 1.00 1.83 H new ATOM 920 N CYS A 113 3.619 -3.589 3.841 1.00 1.00 N ATOM 921 CA CYS A 113 3.156 -3.123 2.542 1.00 1.00 C ATOM 922 C CYS A 113 2.193 -4.130 1.919 1.00 1.17 C ATOM 923 O CYS A 113 1.673 -3.917 0.825 1.00 1.67 O ATOM 924 CB CYS A 113 4.344 -2.880 1.608 1.00 1.05 C ATOM 925 SG CYS A 113 3.897 -2.176 0.001 1.00 2.00 S ATOM 0 H CYS A 113 4.404 -4.239 3.803 1.00 1.00 H new ATOM 0 HA CYS A 113 2.625 -2.182 2.686 1.00 1.00 H new ATOM 0 HB2 CYS A 113 5.048 -2.210 2.102 1.00 1.05 H new ATOM 0 HB3 CYS A 113 4.863 -3.825 1.446 1.00 1.05 H new ATOM 0 HG CYS A 113 4.865 -1.421 -0.426 1.00 2.00 H new ATOM 1692 N GLY A 166 -0.396 -0.979 3.670 1.00 1.30 N ATOM 1693 CA GLY A 166 0.011 -1.324 2.323 1.00 1.24 C ATOM 1694 C GLY A 166 -0.685 -0.476 1.284 1.00 1.03 C ATOM 1695 O GLY A 166 -0.062 -0.019 0.325 1.00 1.05 O ATOM 0 HA2 GLY A 166 1.090 -1.200 2.228 1.00 1.24 H new ATOM 0 HA3 GLY A 166 -0.207 -2.376 2.137 1.00 1.24 H new ATOM 1699 N SER A 167 -1.975 -0.242 1.486 1.00 0.98 N ATOM 1700 CA SER A 167 -2.756 0.572 0.567 1.00 0.99 C ATOM 1701 C SER A 167 -2.233 2.011 0.563 1.00 0.78 C ATOM 1702 O SER A 167 -2.359 2.728 -0.427 1.00 0.86 O ATOM 1703 CB SER A 167 -4.241 0.530 0.957 1.00 1.17 C ATOM 1704 OG SER A 167 -5.055 1.147 -0.026 1.00 1.82 O ATOM 0 H SER A 167 -2.502 -0.606 2.280 1.00 0.98 H new ATOM 0 HA SER A 167 -2.655 0.169 -0.441 1.00 0.99 H new ATOM 0 HB2 SER A 167 -4.554 -0.506 1.092 1.00 1.17 H new ATOM 0 HB3 SER A 167 -4.381 1.032 1.914 1.00 1.17 H new ATOM 0 HG SER A 167 -5.994 1.102 0.251 1.00 1.82 H new ATOM 1710 N TRP A 168 -1.632 2.421 1.676 1.00 0.62 N ATOM 1711 CA TRP A 168 -1.052 3.754 1.776 1.00 0.51 C ATOM 1712 C TRP A 168 0.380 3.775 1.243 1.00 0.42 C ATOM 1713 O TRP A 168 0.893 4.822 0.869 1.00 0.43 O ATOM 1714 CB TRP A 168 -1.084 4.256 3.226 1.00 0.56 C ATOM 1715 CG TRP A 168 -0.169 3.520 4.161 1.00 0.55 C ATOM 1716 CD1 TRP A 168 -0.405 2.326 4.778 1.00 0.69 C ATOM 1717 CD2 TRP A 168 1.126 3.949 4.600 1.00 0.49 C ATOM 1718 NE1 TRP A 168 0.669 1.980 5.563 1.00 0.70 N ATOM 1719 CE2 TRP A 168 1.620 2.962 5.472 1.00 0.56 C ATOM 1720 CE3 TRP A 168 1.918 5.072 4.336 1.00 0.49 C ATOM 1721 CZ2 TRP A 168 2.868 3.062 6.079 1.00 0.55 C ATOM 1722 CZ3 TRP A 168 3.156 5.170 4.942 1.00 0.51 C ATOM 1723 CH2 TRP A 168 3.620 4.171 5.804 1.00 0.50 C ATOM 0 H TRP A 168 -1.535 1.852 2.517 1.00 0.62 H new ATOM 0 HA TRP A 168 -1.655 4.422 1.162 1.00 0.51 H new ATOM 0 HB2 TRP A 168 -0.819 5.313 3.237 1.00 0.56 H new ATOM 0 HB3 TRP A 168 -2.104 4.179 3.601 1.00 0.56 H new ATOM 0 HD1 TRP A 168 -1.304 1.739 4.666 1.00 0.69 H new ATOM 0 HE1 TRP A 168 0.745 1.130 6.122 1.00 0.70 H new ATOM 0 HE3 TRP A 168 1.568 5.848 3.671 1.00 0.49 H new ATOM 0 HZ2 TRP A 168 3.230 2.291 6.744 1.00 0.55 H new ATOM 0 HZ3 TRP A 168 3.776 6.033 4.747 1.00 0.51 H new ATOM 0 HH2 TRP A 168 4.592 4.277 6.262 1.00 0.50 H new ATOM 1734 N LEU A 169 1.016 2.610 1.195 1.00 0.41 N ATOM 1735 CA LEU A 169 2.418 2.528 0.798 1.00 0.38 C ATOM 1736 C LEU A 169 2.577 2.523 -0.715 1.00 0.39 C ATOM 1737 O LEU A 169 3.669 2.747 -1.229 1.00 0.41 O ATOM 1738 CB LEU A 169 3.093 1.302 1.419 1.00 0.44 C ATOM 1739 CG LEU A 169 3.653 1.524 2.827 1.00 0.46 C ATOM 1740 CD1 LEU A 169 4.203 0.230 3.400 1.00 0.66 C ATOM 1741 CD2 LEU A 169 4.739 2.589 2.804 1.00 0.55 C ATOM 0 H LEU A 169 0.587 1.714 1.424 1.00 0.41 H new ATOM 0 HA LEU A 169 2.914 3.422 1.177 1.00 0.38 H new ATOM 0 HB2 LEU A 169 2.371 0.486 1.454 1.00 0.44 H new ATOM 0 HB3 LEU A 169 3.905 0.982 0.766 1.00 0.44 H new ATOM 0 HG LEU A 169 2.838 1.865 3.466 1.00 0.46 H new ATOM 0 HD11 LEU A 169 4.595 0.413 4.400 1.00 0.66 H new ATOM 0 HD12 LEU A 169 3.406 -0.512 3.452 1.00 0.66 H new ATOM 0 HD13 LEU A 169 5.003 -0.141 2.759 1.00 0.66 H new ATOM 0 HD21 LEU A 169 5.127 2.735 3.812 1.00 0.55 H new ATOM 0 HD22 LEU A 169 5.548 2.270 2.147 1.00 0.55 H new ATOM 0 HD23 LEU A 169 4.322 3.526 2.436 1.00 0.55 H new ATOM 1753 N LYS A 170 1.485 2.284 -1.431 1.00 0.44 N ATOM 1754 CA LYS A 170 1.512 2.381 -2.887 1.00 0.52 C ATOM 1755 C LYS A 170 1.543 3.848 -3.310 1.00 0.50 C ATOM 1756 O LYS A 170 1.643 4.167 -4.494 1.00 0.61 O ATOM 1757 CB LYS A 170 0.309 1.647 -3.514 1.00 0.66 C ATOM 1758 CG LYS A 170 -1.059 2.195 -3.121 1.00 0.74 C ATOM 1759 CD LYS A 170 -1.465 3.393 -3.971 1.00 0.83 C ATOM 1760 CE LYS A 170 -2.827 3.929 -3.570 1.00 1.15 C ATOM 1761 NZ LYS A 170 -3.913 2.943 -3.814 1.00 1.48 N ATOM 0 H LYS A 170 0.581 2.025 -1.035 1.00 0.44 H new ATOM 0 HA LYS A 170 2.417 1.895 -3.252 1.00 0.52 H new ATOM 0 HB2 LYS A 170 0.402 1.690 -4.599 1.00 0.66 H new ATOM 0 HB3 LYS A 170 0.357 0.595 -3.231 1.00 0.66 H new ATOM 0 HG2 LYS A 170 -1.807 1.409 -3.224 1.00 0.74 H new ATOM 0 HG3 LYS A 170 -1.044 2.485 -2.070 1.00 0.74 H new ATOM 0 HD2 LYS A 170 -0.719 4.181 -3.869 1.00 0.83 H new ATOM 0 HD3 LYS A 170 -1.482 3.105 -5.022 1.00 0.83 H new ATOM 0 HE2 LYS A 170 -2.813 4.198 -2.514 1.00 1.15 H new ATOM 0 HE3 LYS A 170 -3.035 4.842 -4.128 1.00 1.15 H new ATOM 0 HZ1 LYS A 170 -4.836 3.409 -3.704 1.00 1.48 H new ATOM 0 HZ2 LYS A 170 -3.828 2.565 -4.779 1.00 1.48 H new ATOM 0 HZ3 LYS A 170 -3.835 2.164 -3.129 1.00 1.48 H new ATOM 1775 N TYR A 171 1.449 4.733 -2.322 1.00 0.45 N ATOM 1776 CA TYR A 171 1.472 6.165 -2.568 1.00 0.52 C ATOM 1777 C TYR A 171 2.878 6.658 -2.861 1.00 0.53 C ATOM 1778 O TYR A 171 3.045 7.585 -3.643 1.00 0.68 O ATOM 1779 CB TYR A 171 0.898 6.932 -1.374 1.00 0.56 C ATOM 1780 CG TYR A 171 -0.594 7.160 -1.444 1.00 0.85 C ATOM 1781 CD1 TYR A 171 -1.117 8.368 -1.881 1.00 1.12 C ATOM 1782 CD2 TYR A 171 -1.480 6.157 -1.076 1.00 1.03 C ATOM 1783 CE1 TYR A 171 -2.483 8.570 -1.948 1.00 1.44 C ATOM 1784 CE2 TYR A 171 -2.846 6.352 -1.138 1.00 1.42 C ATOM 1785 CZ TYR A 171 -3.337 7.597 -1.571 1.00 1.58 C ATOM 1786 OH TYR A 171 -4.701 7.755 -1.640 1.00 1.97 O ATOM 0 H TYR A 171 1.356 4.478 -1.339 1.00 0.45 H new ATOM 0 HA TYR A 171 0.852 6.350 -3.445 1.00 0.52 H new ATOM 0 HB2 TYR A 171 1.128 6.384 -0.460 1.00 0.56 H new ATOM 0 HB3 TYR A 171 1.399 7.897 -1.302 1.00 0.56 H new ATOM 0 HD1 TYR A 171 -0.447 9.163 -2.173 1.00 1.12 H new ATOM 0 HD2 TYR A 171 -1.095 5.207 -0.735 1.00 1.03 H new ATOM 0 HE1 TYR A 171 -2.869 9.514 -2.305 1.00 1.44 H new ATOM 0 HE2 TYR A 171 -3.526 5.561 -0.858 1.00 1.42 H new ATOM 0 HH TYR A 171 -5.141 6.939 -1.324 1.00 1.97 H new ATOM 1796 N ILE A 172 3.886 6.033 -2.252 1.00 0.43 N ATOM 1797 CA ILE A 172 5.250 6.508 -2.412 1.00 0.46 C ATOM 1798 C ILE A 172 5.681 6.406 -3.872 1.00 0.56 C ATOM 1799 O ILE A 172 5.431 5.393 -4.534 1.00 0.67 O ATOM 1800 CB ILE A 172 6.259 5.723 -1.558 1.00 0.42 C ATOM 1801 CG1 ILE A 172 5.630 5.192 -0.255 1.00 0.42 C ATOM 1802 CG2 ILE A 172 7.438 6.632 -1.257 1.00 0.57 C ATOM 1803 CD1 ILE A 172 5.849 6.059 0.971 1.00 0.54 C ATOM 0 H ILE A 172 3.782 5.212 -1.655 1.00 0.43 H new ATOM 0 HA ILE A 172 5.250 7.545 -2.078 1.00 0.46 H new ATOM 0 HB ILE A 172 6.589 4.847 -2.117 1.00 0.42 H new ATOM 0 HG12 ILE A 172 4.557 5.075 -0.410 1.00 0.42 H new ATOM 0 HG13 ILE A 172 6.033 4.199 -0.054 1.00 0.42 H new ATOM 0 HG21 ILE A 172 8.167 6.094 -0.651 1.00 0.57 H new ATOM 0 HG22 ILE A 172 7.904 6.946 -2.191 1.00 0.57 H new ATOM 0 HG23 ILE A 172 7.091 7.510 -0.712 1.00 0.57 H new ATOM 0 HD11 ILE A 172 5.368 5.598 1.833 1.00 0.54 H new ATOM 0 HD12 ILE A 172 6.918 6.157 1.161 1.00 0.54 H new ATOM 0 HD13 ILE A 172 5.419 7.046 0.800 1.00 0.54 H new ATOM 1815 N ARG A 173 6.311 7.454 -4.376 1.00 0.71 N ATOM 1816 CA ARG A 173 6.727 7.487 -5.770 1.00 0.92 C ATOM 1817 C ARG A 173 8.245 7.406 -5.904 1.00 0.69 C ATOM 1818 O ARG A 173 8.983 7.669 -4.952 1.00 0.61 O ATOM 1819 CB ARG A 173 6.224 8.762 -6.446 1.00 1.38 C ATOM 1820 CG ARG A 173 4.734 9.015 -6.270 1.00 1.82 C ATOM 1821 CD ARG A 173 3.900 7.790 -6.617 1.00 2.22 C ATOM 1822 NE ARG A 173 4.130 7.323 -7.984 1.00 2.79 N ATOM 1823 CZ ARG A 173 4.441 6.063 -8.296 1.00 3.52 C ATOM 1824 NH1 ARG A 173 4.654 5.166 -7.336 1.00 3.84 N ATOM 1825 NH2 ARG A 173 4.567 5.705 -9.567 1.00 4.34 N ATOM 0 H ARG A 173 6.546 8.292 -3.843 1.00 0.71 H new ATOM 0 HA ARG A 173 6.291 6.617 -6.261 1.00 0.92 H new ATOM 0 HB2 ARG A 173 6.775 9.613 -6.047 1.00 1.38 H new ATOM 0 HB3 ARG A 173 6.449 8.708 -7.511 1.00 1.38 H new ATOM 0 HG2 ARG A 173 4.536 9.308 -5.239 1.00 1.82 H new ATOM 0 HG3 ARG A 173 4.431 9.850 -6.902 1.00 1.82 H new ATOM 0 HD2 ARG A 173 4.133 6.986 -5.918 1.00 2.22 H new ATOM 0 HD3 ARG A 173 2.843 8.026 -6.490 1.00 2.22 H new ATOM 0 HE ARG A 173 4.048 8.000 -8.743 1.00 2.79 H new ATOM 0 HH11 ARG A 173 4.580 5.440 -6.356 1.00 3.84 H new ATOM 0 HH12 ARG A 173 4.891 4.204 -7.580 1.00 3.84 H new ATOM 0 HH21 ARG A 173 4.426 6.393 -10.307 1.00 4.34 H new ATOM 0 HH22 ARG A 173 4.805 4.742 -9.804 1.00 4.34 H new ATOM 1839 N VAL A 174 8.698 7.018 -7.098 1.00 0.70 N ATOM 1840 CA VAL A 174 10.123 6.978 -7.412 1.00 0.63 C ATOM 1841 C VAL A 174 10.677 8.405 -7.433 1.00 0.55 C ATOM 1842 O VAL A 174 9.967 9.340 -7.805 1.00 0.62 O ATOM 1843 CB VAL A 174 10.374 6.306 -8.786 1.00 0.73 C ATOM 1844 CG1 VAL A 174 11.860 6.263 -9.116 1.00 0.98 C ATOM 1845 CG2 VAL A 174 9.793 4.900 -8.809 1.00 1.07 C ATOM 0 H VAL A 174 8.093 6.726 -7.865 1.00 0.70 H new ATOM 0 HA VAL A 174 10.629 6.390 -6.646 1.00 0.63 H new ATOM 0 HB VAL A 174 9.873 6.907 -9.545 1.00 0.73 H new ATOM 0 HG11 VAL A 174 12.004 5.786 -10.086 1.00 0.98 H new ATOM 0 HG12 VAL A 174 12.255 7.278 -9.149 1.00 0.98 H new ATOM 0 HG13 VAL A 174 12.386 5.694 -8.350 1.00 0.98 H new ATOM 0 HG21 VAL A 174 9.979 4.445 -9.782 1.00 1.07 H new ATOM 0 HG22 VAL A 174 10.264 4.299 -8.031 1.00 1.07 H new ATOM 0 HG23 VAL A 174 8.719 4.947 -8.631 1.00 1.07 H new ATOM 1855 N ALA A 175 11.938 8.560 -7.034 1.00 0.53 N ATOM 1856 CA ALA A 175 12.573 9.875 -6.944 1.00 0.57 C ATOM 1857 C ALA A 175 12.479 10.648 -8.253 1.00 0.52 C ATOM 1858 O ALA A 175 12.608 10.083 -9.340 1.00 0.57 O ATOM 1859 CB ALA A 175 14.027 9.738 -6.534 1.00 0.71 C ATOM 0 H ALA A 175 12.545 7.785 -6.766 1.00 0.53 H new ATOM 0 HA ALA A 175 12.032 10.438 -6.183 1.00 0.57 H new ATOM 0 HB1 ALA A 175 14.482 10.726 -6.472 1.00 0.71 H new ATOM 0 HB2 ALA A 175 14.086 9.250 -5.561 1.00 0.71 H new ATOM 0 HB3 ALA A 175 14.559 9.139 -7.273 1.00 0.71 H new ATOM 1865 N CYS A 176 12.265 11.946 -8.127 1.00 0.62 N ATOM 1866 CA CYS A 176 12.150 12.829 -9.271 1.00 0.69 C ATOM 1867 C CYS A 176 13.518 13.407 -9.636 1.00 0.68 C ATOM 1868 O CYS A 176 13.658 14.147 -10.609 1.00 0.84 O ATOM 1869 CB CYS A 176 11.154 13.951 -8.954 1.00 0.85 C ATOM 1870 SG CYS A 176 10.839 15.088 -10.323 1.00 1.88 S ATOM 0 H CYS A 176 12.166 12.416 -7.227 1.00 0.62 H new ATOM 0 HA CYS A 176 11.783 12.263 -10.127 1.00 0.69 H new ATOM 0 HB2 CYS A 176 10.209 13.504 -8.646 1.00 0.85 H new ATOM 0 HB3 CYS A 176 11.528 14.522 -8.104 1.00 0.85 H new ATOM 0 HG CYS A 176 11.894 15.160 -11.079 1.00 1.88 H new ATOM 1876 N SER A 177 14.524 13.067 -8.845 1.00 0.63 N ATOM 1877 CA SER A 177 15.873 13.560 -9.071 1.00 0.71 C ATOM 1878 C SER A 177 16.901 12.466 -8.776 1.00 0.65 C ATOM 1879 O SER A 177 16.713 11.637 -7.883 1.00 0.66 O ATOM 1880 CB SER A 177 16.116 14.786 -8.191 1.00 0.88 C ATOM 1881 OG SER A 177 15.151 15.792 -8.452 1.00 1.63 O ATOM 0 H SER A 177 14.431 12.450 -8.038 1.00 0.63 H new ATOM 0 HA SER A 177 15.983 13.845 -10.117 1.00 0.71 H new ATOM 0 HB2 SER A 177 16.074 14.499 -7.140 1.00 0.88 H new ATOM 0 HB3 SER A 177 17.116 15.179 -8.375 1.00 0.88 H new ATOM 0 HG SER A 177 15.323 16.567 -7.878 1.00 1.63 H new ATOM 1887 N CYS A 178 17.990 12.479 -9.543 1.00 0.71 N ATOM 1888 CA CYS A 178 19.005 11.432 -9.482 1.00 0.76 C ATOM 1889 C CYS A 178 19.827 11.522 -8.202 1.00 0.71 C ATOM 1890 O CYS A 178 20.289 10.508 -7.675 1.00 0.77 O ATOM 1891 CB CYS A 178 19.928 11.529 -10.697 1.00 1.00 C ATOM 1892 SG CYS A 178 19.061 11.477 -12.282 1.00 1.96 S ATOM 0 H CYS A 178 18.192 13.213 -10.221 1.00 0.71 H new ATOM 0 HA CYS A 178 18.492 10.470 -9.486 1.00 0.76 H new ATOM 0 HB2 CYS A 178 20.497 12.457 -10.636 1.00 1.00 H new ATOM 0 HB3 CYS A 178 20.647 10.711 -10.661 1.00 1.00 H new ATOM 0 HG CYS A 178 19.923 11.568 -13.251 1.00 1.96 H new ATOM 1898 N ASP A 179 20.003 12.736 -7.699 1.00 0.76 N ATOM 1899 CA ASP A 179 20.750 12.957 -6.464 1.00 0.88 C ATOM 1900 C ASP A 179 19.851 12.756 -5.258 1.00 0.82 C ATOM 1901 O ASP A 179 20.274 12.921 -4.114 1.00 0.99 O ATOM 1902 CB ASP A 179 21.335 14.373 -6.424 1.00 1.08 C ATOM 1903 CG ASP A 179 22.427 14.591 -7.448 1.00 1.81 C ATOM 1904 OD1 ASP A 179 22.166 15.270 -8.460 1.00 2.40 O ATOM 1905 OD2 ASP A 179 23.544 14.064 -7.254 1.00 2.42 O ATOM 0 H ASP A 179 19.638 13.587 -8.127 1.00 0.76 H new ATOM 0 HA ASP A 179 21.565 12.234 -6.436 1.00 0.88 H new ATOM 0 HB2 ASP A 179 20.536 15.095 -6.594 1.00 1.08 H new ATOM 0 HB3 ASP A 179 21.734 14.567 -5.428 1.00 1.08 H new ATOM 1910 N ASP A 180 18.613 12.381 -5.527 1.00 0.70 N ATOM 1911 CA ASP A 180 17.596 12.288 -4.496 1.00 0.75 C ATOM 1912 C ASP A 180 17.255 10.829 -4.212 1.00 0.60 C ATOM 1913 O ASP A 180 16.212 10.519 -3.641 1.00 0.64 O ATOM 1914 CB ASP A 180 16.354 13.057 -4.940 1.00 0.92 C ATOM 1915 CG ASP A 180 15.499 13.523 -3.785 1.00 1.41 C ATOM 1916 OD1 ASP A 180 15.892 14.481 -3.093 1.00 2.12 O ATOM 1917 OD2 ASP A 180 14.439 12.913 -3.549 1.00 1.55 O ATOM 0 H ASP A 180 18.286 12.134 -6.461 1.00 0.70 H new ATOM 0 HA ASP A 180 17.976 12.728 -3.574 1.00 0.75 H new ATOM 0 HB2 ASP A 180 16.661 13.922 -5.529 1.00 0.92 H new ATOM 0 HB3 ASP A 180 15.756 12.422 -5.594 1.00 0.92 H new ATOM 1922 N GLN A 181 18.128 9.924 -4.651 1.00 0.51 N ATOM 1923 CA GLN A 181 17.922 8.501 -4.417 1.00 0.46 C ATOM 1924 C GLN A 181 17.957 8.194 -2.927 1.00 0.46 C ATOM 1925 O GLN A 181 18.987 8.344 -2.273 1.00 0.56 O ATOM 1926 CB GLN A 181 18.991 7.668 -5.130 1.00 0.56 C ATOM 1927 CG GLN A 181 18.923 7.730 -6.650 1.00 0.62 C ATOM 1928 CD GLN A 181 17.710 7.009 -7.212 1.00 0.70 C ATOM 1929 OE1 GLN A 181 17.758 5.810 -7.485 1.00 1.35 O ATOM 1930 NE2 GLN A 181 16.620 7.730 -7.406 1.00 0.98 N ATOM 0 H GLN A 181 18.978 10.151 -5.167 1.00 0.51 H new ATOM 0 HA GLN A 181 16.943 8.239 -4.818 1.00 0.46 H new ATOM 0 HB2 GLN A 181 19.975 8.009 -4.808 1.00 0.56 H new ATOM 0 HB3 GLN A 181 18.895 6.629 -4.816 1.00 0.56 H new ATOM 0 HG2 GLN A 181 18.900 8.773 -6.966 1.00 0.62 H new ATOM 0 HG3 GLN A 181 19.828 7.290 -7.068 1.00 0.62 H new ATOM 0 HE21 GLN A 181 16.616 8.722 -7.168 1.00 0.98 H new ATOM 0 HE22 GLN A 181 15.783 7.295 -7.794 1.00 0.98 H new ATOM 1939 N ASN A 182 16.822 7.772 -2.404 1.00 0.40 N ATOM 1940 CA ASN A 182 16.714 7.344 -1.025 1.00 0.41 C ATOM 1941 C ASN A 182 15.642 6.259 -0.949 1.00 0.36 C ATOM 1942 O ASN A 182 14.939 6.104 0.041 1.00 0.42 O ATOM 1943 CB ASN A 182 16.375 8.550 -0.132 1.00 0.49 C ATOM 1944 CG ASN A 182 16.435 8.238 1.353 1.00 0.99 C ATOM 1945 OD1 ASN A 182 17.494 8.284 1.970 1.00 1.68 O ATOM 1946 ND2 ASN A 182 15.295 7.935 1.938 1.00 0.93 N ATOM 0 H ASN A 182 15.947 7.717 -2.926 1.00 0.40 H new ATOM 0 HA ASN A 182 17.658 6.933 -0.666 1.00 0.41 H new ATOM 0 HB2 ASN A 182 17.068 9.362 -0.353 1.00 0.49 H new ATOM 0 HB3 ASN A 182 15.375 8.907 -0.380 1.00 0.49 H new ATOM 0 HD21 ASN A 182 15.273 7.729 2.937 1.00 0.93 H new ATOM 0 HD22 ASN A 182 14.434 7.906 1.392 1.00 0.93 H new ATOM 1953 N LEU A 183 15.537 5.490 -2.022 1.00 0.34 N ATOM 1954 CA LEU A 183 14.461 4.522 -2.154 1.00 0.35 C ATOM 1955 C LEU A 183 15.014 3.109 -2.224 1.00 0.36 C ATOM 1956 O LEU A 183 15.834 2.796 -3.087 1.00 0.39 O ATOM 1957 CB LEU A 183 13.622 4.805 -3.409 1.00 0.39 C ATOM 1958 CG LEU A 183 13.253 6.258 -3.649 1.00 0.46 C ATOM 1959 CD1 LEU A 183 14.378 6.991 -4.360 1.00 0.73 C ATOM 1960 CD2 LEU A 183 11.973 6.353 -4.454 1.00 0.81 C ATOM 0 H LEU A 183 16.182 5.518 -2.812 1.00 0.34 H new ATOM 0 HA LEU A 183 13.825 4.613 -1.274 1.00 0.35 H new ATOM 0 HB2 LEU A 183 14.170 4.442 -4.278 1.00 0.39 H new ATOM 0 HB3 LEU A 183 12.703 4.223 -3.346 1.00 0.39 H new ATOM 0 HG LEU A 183 13.093 6.732 -2.681 1.00 0.46 H new ATOM 0 HD11 LEU A 183 14.091 8.030 -4.521 1.00 0.73 H new ATOM 0 HD12 LEU A 183 15.280 6.954 -3.749 1.00 0.73 H new ATOM 0 HD13 LEU A 183 14.572 6.515 -5.321 1.00 0.73 H new ATOM 0 HD21 LEU A 183 11.723 7.401 -4.617 1.00 0.81 H new ATOM 0 HD22 LEU A 183 12.111 5.859 -5.416 1.00 0.81 H new ATOM 0 HD23 LEU A 183 11.164 5.867 -3.909 1.00 0.81 H new ATOM 1972 N THR A 184 14.583 2.265 -1.302 1.00 0.37 N ATOM 1973 CA THR A 184 14.923 0.855 -1.340 1.00 0.41 C ATOM 1974 C THR A 184 13.795 0.022 -0.739 1.00 0.41 C ATOM 1975 O THR A 184 13.213 0.387 0.281 1.00 0.45 O ATOM 1976 CB THR A 184 16.240 0.565 -0.588 1.00 0.45 C ATOM 1977 OG1 THR A 184 17.318 1.297 -1.191 1.00 0.51 O ATOM 1978 CG2 THR A 184 16.565 -0.918 -0.605 1.00 0.49 C ATOM 0 H THR A 184 13.994 2.535 -0.514 1.00 0.37 H new ATOM 0 HA THR A 184 15.062 0.581 -2.386 1.00 0.41 H new ATOM 0 HB THR A 184 16.114 0.880 0.448 1.00 0.45 H new ATOM 0 HG1 THR A 184 18.150 1.110 -0.709 1.00 0.51 H new ATOM 0 HG21 THR A 184 17.497 -1.092 -0.068 1.00 0.49 H new ATOM 0 HG22 THR A 184 15.760 -1.472 -0.123 1.00 0.49 H new ATOM 0 HG23 THR A 184 16.671 -1.255 -1.636 1.00 0.49 H new ATOM 1986 N MET A 185 13.471 -1.079 -1.391 1.00 0.49 N ATOM 1987 CA MET A 185 12.478 -2.002 -0.874 1.00 0.51 C ATOM 1988 C MET A 185 13.169 -3.245 -0.340 1.00 0.60 C ATOM 1989 O MET A 185 14.145 -3.719 -0.922 1.00 0.90 O ATOM 1990 CB MET A 185 11.479 -2.385 -1.967 1.00 0.77 C ATOM 1991 CG MET A 185 10.430 -3.393 -1.520 1.00 1.01 C ATOM 1992 SD MET A 185 9.386 -3.971 -2.874 1.00 1.35 S ATOM 1993 CE MET A 185 8.547 -2.460 -3.344 1.00 1.03 C ATOM 0 H MET A 185 13.882 -1.356 -2.282 1.00 0.49 H new ATOM 0 HA MET A 185 11.932 -1.516 -0.066 1.00 0.51 H new ATOM 0 HB2 MET A 185 10.976 -1.484 -2.318 1.00 0.77 H new ATOM 0 HB3 MET A 185 12.025 -2.796 -2.816 1.00 0.77 H new ATOM 0 HG2 MET A 185 10.927 -4.248 -1.062 1.00 1.01 H new ATOM 0 HG3 MET A 185 9.802 -2.940 -0.752 1.00 1.01 H new ATOM 0 HE1 MET A 185 7.469 -2.622 -3.329 1.00 1.03 H new ATOM 0 HE2 MET A 185 8.805 -1.667 -2.642 1.00 1.03 H new ATOM 0 HE3 MET A 185 8.856 -2.170 -4.348 1.00 1.03 H new ATOM 2003 N CYS A 186 12.661 -3.767 0.756 1.00 0.55 N ATOM 2004 CA CYS A 186 13.199 -4.973 1.342 1.00 0.81 C ATOM 2005 C CYS A 186 12.185 -6.094 1.201 1.00 0.71 C ATOM 2006 O CYS A 186 10.999 -5.919 1.498 1.00 0.65 O ATOM 2007 CB CYS A 186 13.534 -4.743 2.818 1.00 1.10 C ATOM 2008 SG CYS A 186 14.242 -6.185 3.648 1.00 1.73 S ATOM 0 H CYS A 186 11.869 -3.370 1.262 1.00 0.55 H new ATOM 0 HA CYS A 186 14.116 -5.248 0.822 1.00 0.81 H new ATOM 0 HB2 CYS A 186 14.235 -3.912 2.895 1.00 1.10 H new ATOM 0 HB3 CYS A 186 12.627 -4.444 3.343 1.00 1.10 H new ATOM 0 HG CYS A 186 14.493 -5.891 4.889 1.00 1.73 H new ATOM 2014 N GLN A 187 12.646 -7.235 0.730 1.00 0.81 N ATOM 2015 CA GLN A 187 11.773 -8.367 0.510 1.00 0.79 C ATOM 2016 C GLN A 187 12.233 -9.527 1.377 1.00 0.87 C ATOM 2017 O GLN A 187 13.224 -10.192 1.073 1.00 1.01 O ATOM 2018 CB GLN A 187 11.788 -8.740 -0.978 1.00 0.95 C ATOM 2019 CG GLN A 187 10.572 -9.527 -1.451 1.00 1.08 C ATOM 2020 CD GLN A 187 10.557 -10.962 -0.968 1.00 1.47 C ATOM 2021 OE1 GLN A 187 11.109 -11.848 -1.618 1.00 1.93 O ATOM 2022 NE2 GLN A 187 9.904 -11.208 0.153 1.00 1.60 N ATOM 0 H GLN A 187 13.624 -7.402 0.492 1.00 0.81 H new ATOM 0 HA GLN A 187 10.749 -8.117 0.786 1.00 0.79 H new ATOM 0 HB2 GLN A 187 11.863 -7.826 -1.567 1.00 0.95 H new ATOM 0 HB3 GLN A 187 12.684 -9.325 -1.183 1.00 0.95 H new ATOM 0 HG2 GLN A 187 9.668 -9.026 -1.105 1.00 1.08 H new ATOM 0 HG3 GLN A 187 10.545 -9.518 -2.541 1.00 1.08 H new ATOM 0 HE21 GLN A 187 9.460 -10.444 0.663 1.00 1.60 H new ATOM 0 HE22 GLN A 187 9.844 -12.162 0.509 1.00 1.60 H new ATOM 2031 N ILE A 188 11.504 -9.759 2.456 1.00 0.82 N ATOM 2032 CA ILE A 188 11.837 -10.808 3.407 1.00 0.92 C ATOM 2033 C ILE A 188 10.574 -11.534 3.837 1.00 0.95 C ATOM 2034 O ILE A 188 9.509 -10.926 3.919 1.00 0.87 O ATOM 2035 CB ILE A 188 12.551 -10.250 4.661 1.00 0.99 C ATOM 2036 CG1 ILE A 188 11.760 -9.081 5.256 1.00 0.96 C ATOM 2037 CG2 ILE A 188 13.963 -9.808 4.320 1.00 1.07 C ATOM 2038 CD1 ILE A 188 12.314 -8.572 6.570 1.00 1.11 C ATOM 0 H ILE A 188 10.667 -9.228 2.697 1.00 0.82 H new ATOM 0 HA ILE A 188 12.519 -11.495 2.906 1.00 0.92 H new ATOM 0 HB ILE A 188 12.606 -11.046 5.403 1.00 0.99 H new ATOM 0 HG12 ILE A 188 11.745 -8.262 4.537 1.00 0.96 H new ATOM 0 HG13 ILE A 188 10.726 -9.393 5.405 1.00 0.96 H new ATOM 0 HG21 ILE A 188 14.448 -9.419 5.215 1.00 1.07 H new ATOM 0 HG22 ILE A 188 14.529 -10.659 3.941 1.00 1.07 H new ATOM 0 HG23 ILE A 188 13.926 -9.029 3.559 1.00 1.07 H new ATOM 0 HD11 ILE A 188 11.701 -7.745 6.928 1.00 1.11 H new ATOM 0 HD12 ILE A 188 12.303 -9.376 7.305 1.00 1.11 H new ATOM 0 HD13 ILE A 188 13.338 -8.228 6.424 1.00 1.11 H new ATOM 2050 N SER A 189 10.686 -12.840 4.052 1.00 1.12 N ATOM 2051 CA SER A 189 9.578 -13.647 4.562 1.00 1.23 C ATOM 2052 C SER A 189 8.376 -13.605 3.617 1.00 1.13 C ATOM 2053 O SER A 189 7.226 -13.671 4.054 1.00 1.15 O ATOM 2054 CB SER A 189 9.171 -13.152 5.952 1.00 1.31 C ATOM 2055 OG SER A 189 10.303 -13.034 6.800 1.00 1.86 O ATOM 0 H SER A 189 11.541 -13.369 3.880 1.00 1.12 H new ATOM 0 HA SER A 189 9.915 -14.681 4.629 1.00 1.23 H new ATOM 0 HB2 SER A 189 8.673 -12.186 5.867 1.00 1.31 H new ATOM 0 HB3 SER A 189 8.452 -13.843 6.392 1.00 1.31 H new ATOM 0 HG SER A 189 10.019 -12.715 7.682 1.00 1.86 H new ATOM 2061 N GLU A 190 8.661 -13.480 2.323 1.00 1.11 N ATOM 2062 CA GLU A 190 7.629 -13.434 1.285 1.00 1.13 C ATOM 2063 C GLU A 190 6.670 -12.255 1.480 1.00 0.96 C ATOM 2064 O GLU A 190 5.529 -12.290 1.018 1.00 1.05 O ATOM 2065 CB GLU A 190 6.851 -14.753 1.247 1.00 1.34 C ATOM 2066 CG GLU A 190 7.693 -15.943 0.815 1.00 1.74 C ATOM 2067 CD GLU A 190 8.183 -15.813 -0.611 1.00 2.26 C ATOM 2068 OE1 GLU A 190 9.314 -15.322 -0.817 1.00 2.66 O ATOM 2069 OE2 GLU A 190 7.436 -16.196 -1.533 1.00 2.83 O ATOM 0 H GLU A 190 9.612 -13.408 1.963 1.00 1.11 H new ATOM 0 HA GLU A 190 8.134 -13.289 0.330 1.00 1.13 H new ATOM 0 HB2 GLU A 190 6.438 -14.950 2.236 1.00 1.34 H new ATOM 0 HB3 GLU A 190 6.007 -14.648 0.565 1.00 1.34 H new ATOM 0 HG2 GLU A 190 8.549 -16.041 1.483 1.00 1.74 H new ATOM 0 HG3 GLU A 190 7.105 -16.856 0.913 1.00 1.74 H new ATOM 2076 N GLN A 191 7.132 -11.216 2.167 1.00 0.81 N ATOM 2077 CA GLN A 191 6.332 -10.015 2.357 1.00 0.71 C ATOM 2078 C GLN A 191 7.152 -8.780 1.996 1.00 0.61 C ATOM 2079 O GLN A 191 8.383 -8.845 1.914 1.00 0.65 O ATOM 2080 CB GLN A 191 5.814 -9.930 3.798 1.00 0.78 C ATOM 2081 CG GLN A 191 6.904 -9.774 4.844 1.00 0.87 C ATOM 2082 CD GLN A 191 6.384 -9.880 6.265 1.00 1.15 C ATOM 2083 OE1 GLN A 191 7.107 -10.302 7.169 1.00 1.75 O ATOM 2084 NE2 GLN A 191 5.128 -9.508 6.476 1.00 1.46 N ATOM 0 H GLN A 191 8.055 -11.183 2.600 1.00 0.81 H new ATOM 0 HA GLN A 191 5.467 -10.061 1.696 1.00 0.71 H new ATOM 0 HB2 GLN A 191 5.128 -9.087 3.876 1.00 0.78 H new ATOM 0 HB3 GLN A 191 5.240 -10.830 4.019 1.00 0.78 H new ATOM 0 HG2 GLN A 191 7.665 -10.538 4.684 1.00 0.87 H new ATOM 0 HG3 GLN A 191 7.390 -8.807 4.712 1.00 0.87 H new ATOM 0 HE21 GLN A 191 4.561 -9.164 5.701 1.00 1.46 H new ATOM 0 HE22 GLN A 191 4.729 -9.566 7.413 1.00 1.46 H new ATOM 2093 N ILE A 192 6.467 -7.669 1.752 1.00 0.56 N ATOM 2094 CA ILE A 192 7.117 -6.451 1.286 1.00 0.50 C ATOM 2095 C ILE A 192 7.258 -5.411 2.393 1.00 0.47 C ATOM 2096 O ILE A 192 6.300 -5.108 3.113 1.00 0.61 O ATOM 2097 CB ILE A 192 6.333 -5.834 0.110 1.00 0.65 C ATOM 2098 CG1 ILE A 192 6.251 -6.836 -1.039 1.00 0.89 C ATOM 2099 CG2 ILE A 192 6.976 -4.535 -0.357 1.00 0.64 C ATOM 2100 CD1 ILE A 192 7.605 -7.237 -1.586 1.00 1.01 C ATOM 0 H ILE A 192 5.457 -7.587 1.870 1.00 0.56 H new ATOM 0 HA ILE A 192 8.117 -6.736 0.958 1.00 0.50 H new ATOM 0 HB ILE A 192 5.325 -5.600 0.451 1.00 0.65 H new ATOM 0 HG12 ILE A 192 5.727 -7.728 -0.696 1.00 0.89 H new ATOM 0 HG13 ILE A 192 5.655 -6.406 -1.844 1.00 0.89 H new ATOM 0 HG21 ILE A 192 6.402 -4.123 -1.187 1.00 0.64 H new ATOM 0 HG22 ILE A 192 6.990 -3.820 0.465 1.00 0.64 H new ATOM 0 HG23 ILE A 192 7.997 -4.732 -0.684 1.00 0.64 H new ATOM 0 HD11 ILE A 192 7.472 -7.950 -2.399 1.00 1.01 H new ATOM 0 HD12 ILE A 192 8.123 -6.353 -1.959 1.00 1.01 H new ATOM 0 HD13 ILE A 192 8.196 -7.696 -0.794 1.00 1.01 H new ATOM 2112 N TYR A 193 8.466 -4.872 2.514 1.00 0.48 N ATOM 2113 CA TYR A 193 8.754 -3.786 3.437 1.00 0.68 C ATOM 2114 C TYR A 193 9.564 -2.702 2.732 1.00 0.50 C ATOM 2115 O TYR A 193 10.343 -2.995 1.829 1.00 0.47 O ATOM 2116 CB TYR A 193 9.532 -4.305 4.646 1.00 1.05 C ATOM 2117 CG TYR A 193 8.680 -5.038 5.654 1.00 1.54 C ATOM 2118 CD1 TYR A 193 8.968 -6.351 5.991 1.00 2.35 C ATOM 2119 CD2 TYR A 193 7.580 -4.435 6.247 1.00 1.86 C ATOM 2120 CE1 TYR A 193 8.189 -7.047 6.889 1.00 3.17 C ATOM 2121 CE2 TYR A 193 6.795 -5.123 7.154 1.00 2.49 C ATOM 2122 CZ TYR A 193 7.122 -6.347 7.544 1.00 3.09 C ATOM 2123 OH TYR A 193 6.325 -7.121 8.367 1.00 3.94 O ATOM 0 H TYR A 193 9.274 -5.178 1.972 1.00 0.48 H new ATOM 0 HA TYR A 193 7.809 -3.364 3.780 1.00 0.68 H new ATOM 0 HB2 TYR A 193 10.321 -4.972 4.299 1.00 1.05 H new ATOM 0 HB3 TYR A 193 10.019 -3.464 5.140 1.00 1.05 H new ATOM 0 HD1 TYR A 193 9.820 -6.838 5.541 1.00 2.35 H new ATOM 0 HD2 TYR A 193 7.333 -3.414 5.997 1.00 1.86 H new ATOM 0 HE1 TYR A 193 8.376 -8.091 7.094 1.00 3.17 H new ATOM 0 HE2 TYR A 193 5.904 -4.657 7.550 1.00 2.49 H new ATOM 0 HH TYR A 193 5.629 -6.561 8.769 1.00 3.94 H new ATOM 2133 N TYR A 194 9.370 -1.451 3.125 1.00 0.49 N ATOM 2134 CA TYR A 194 10.124 -0.351 2.540 1.00 0.41 C ATOM 2135 C TYR A 194 11.239 0.067 3.485 1.00 0.40 C ATOM 2136 O TYR A 194 10.973 0.563 4.574 1.00 0.49 O ATOM 2137 CB TYR A 194 9.208 0.846 2.256 1.00 0.56 C ATOM 2138 CG TYR A 194 8.211 0.630 1.129 1.00 0.59 C ATOM 2139 CD1 TYR A 194 7.932 -0.641 0.642 1.00 0.80 C ATOM 2140 CD2 TYR A 194 7.545 1.706 0.557 1.00 0.78 C ATOM 2141 CE1 TYR A 194 7.025 -0.831 -0.379 1.00 0.89 C ATOM 2142 CE2 TYR A 194 6.634 1.522 -0.467 1.00 0.85 C ATOM 2143 CZ TYR A 194 6.379 0.251 -0.930 1.00 0.80 C ATOM 2144 OH TYR A 194 5.473 0.062 -1.950 1.00 0.92 O ATOM 0 H TYR A 194 8.701 -1.173 3.843 1.00 0.49 H new ATOM 0 HA TYR A 194 10.553 -0.689 1.597 1.00 0.41 H new ATOM 0 HB2 TYR A 194 8.660 1.090 3.166 1.00 0.56 H new ATOM 0 HB3 TYR A 194 9.827 1.710 2.015 1.00 0.56 H new ATOM 0 HD1 TYR A 194 8.435 -1.495 1.071 1.00 0.80 H new ATOM 0 HD2 TYR A 194 7.742 2.704 0.918 1.00 0.78 H new ATOM 0 HE1 TYR A 194 6.822 -1.827 -0.745 1.00 0.89 H new ATOM 0 HE2 TYR A 194 6.126 2.370 -0.901 1.00 0.85 H new ATOM 0 HH TYR A 194 4.805 0.779 -1.931 1.00 0.92 H new ATOM 2154 N LYS A 195 12.480 -0.127 3.073 1.00 0.37 N ATOM 2155 CA LYS A 195 13.613 0.184 3.930 1.00 0.38 C ATOM 2156 C LYS A 195 14.198 1.535 3.558 1.00 0.39 C ATOM 2157 O LYS A 195 14.608 1.755 2.417 1.00 0.43 O ATOM 2158 CB LYS A 195 14.680 -0.918 3.837 1.00 0.40 C ATOM 2159 CG LYS A 195 15.872 -0.712 4.771 1.00 0.43 C ATOM 2160 CD LYS A 195 16.994 0.082 4.112 1.00 0.46 C ATOM 2161 CE LYS A 195 17.718 -0.731 3.049 1.00 0.53 C ATOM 2162 NZ LYS A 195 18.412 -1.915 3.624 1.00 1.11 N ATOM 0 H LYS A 195 12.729 -0.496 2.155 1.00 0.37 H new ATOM 0 HA LYS A 195 13.266 0.232 4.962 1.00 0.38 H new ATOM 0 HB2 LYS A 195 14.216 -1.878 4.063 1.00 0.40 H new ATOM 0 HB3 LYS A 195 15.042 -0.973 2.810 1.00 0.40 H new ATOM 0 HG2 LYS A 195 15.541 -0.191 5.669 1.00 0.43 H new ATOM 0 HG3 LYS A 195 16.254 -1.682 5.088 1.00 0.43 H new ATOM 0 HD2 LYS A 195 16.583 0.985 3.661 1.00 0.46 H new ATOM 0 HD3 LYS A 195 17.707 0.402 4.872 1.00 0.46 H new ATOM 0 HE2 LYS A 195 17.002 -1.061 2.296 1.00 0.53 H new ATOM 0 HE3 LYS A 195 18.445 -0.097 2.541 1.00 0.53 H new ATOM 0 HZ1 LYS A 195 19.102 -2.281 2.937 1.00 1.11 H new ATOM 0 HZ2 LYS A 195 18.906 -1.638 4.496 1.00 1.11 H new ATOM 0 HZ3 LYS A 195 17.714 -2.655 3.841 1.00 1.11 H new ATOM 2176 N VAL A 196 14.232 2.438 4.523 1.00 0.41 N ATOM 2177 CA VAL A 196 14.757 3.766 4.294 1.00 0.45 C ATOM 2178 C VAL A 196 16.248 3.793 4.567 1.00 0.43 C ATOM 2179 O VAL A 196 16.775 3.048 5.394 1.00 0.41 O ATOM 2180 CB VAL A 196 14.067 4.835 5.151 1.00 0.51 C ATOM 2181 CG1 VAL A 196 14.182 6.188 4.474 1.00 0.70 C ATOM 2182 CG2 VAL A 196 12.610 4.478 5.409 1.00 0.68 C ATOM 0 H VAL A 196 13.901 2.272 5.473 1.00 0.41 H new ATOM 0 HA VAL A 196 14.558 4.003 3.249 1.00 0.45 H new ATOM 0 HB VAL A 196 14.567 4.881 6.119 1.00 0.51 H new ATOM 0 HG11 VAL A 196 13.691 6.944 5.086 1.00 0.70 H new ATOM 0 HG12 VAL A 196 15.234 6.446 4.353 1.00 0.70 H new ATOM 0 HG13 VAL A 196 13.704 6.147 3.495 1.00 0.70 H new ATOM 0 HG21 VAL A 196 12.148 5.254 6.019 1.00 0.68 H new ATOM 0 HG22 VAL A 196 12.081 4.399 4.459 1.00 0.68 H new ATOM 0 HG23 VAL A 196 12.557 3.524 5.934 1.00 0.68 H new ATOM 2192 N ILE A 197 16.900 4.683 3.861 1.00 0.47 N ATOM 2193 CA ILE A 197 18.349 4.691 3.731 1.00 0.45 C ATOM 2194 C ILE A 197 18.972 5.632 4.734 1.00 0.45 C ATOM 2195 O ILE A 197 19.853 5.256 5.503 1.00 0.49 O ATOM 2196 CB ILE A 197 18.744 5.162 2.323 1.00 0.47 C ATOM 2197 CG1 ILE A 197 17.595 4.908 1.346 1.00 0.60 C ATOM 2198 CG2 ILE A 197 20.013 4.475 1.861 1.00 0.47 C ATOM 2199 CD1 ILE A 197 17.245 3.449 1.163 1.00 0.62 C ATOM 0 H ILE A 197 16.439 5.436 3.350 1.00 0.47 H new ATOM 0 HA ILE A 197 18.707 3.677 3.910 1.00 0.45 H new ATOM 0 HB ILE A 197 18.942 6.233 2.355 1.00 0.47 H new ATOM 0 HG12 ILE A 197 16.711 5.440 1.697 1.00 0.60 H new ATOM 0 HG13 ILE A 197 17.858 5.331 0.376 1.00 0.60 H new ATOM 0 HG21 ILE A 197 20.273 4.824 0.862 1.00 0.47 H new ATOM 0 HG22 ILE A 197 20.825 4.709 2.550 1.00 0.47 H new ATOM 0 HG23 ILE A 197 19.856 3.397 1.839 1.00 0.47 H new ATOM 0 HD11 ILE A 197 16.421 3.358 0.455 1.00 0.62 H new ATOM 0 HD12 ILE A 197 18.113 2.912 0.781 1.00 0.62 H new ATOM 0 HD13 ILE A 197 16.948 3.023 2.121 1.00 0.62 H new ATOM 2211 N LYS A 198 18.518 6.868 4.687 1.00 0.47 N ATOM 2212 CA LYS A 198 18.968 7.903 5.597 1.00 0.49 C ATOM 2213 C LYS A 198 17.823 8.859 5.894 1.00 0.48 C ATOM 2214 O LYS A 198 16.749 8.739 5.299 1.00 0.49 O ATOM 2215 CB LYS A 198 20.187 8.648 5.024 1.00 0.59 C ATOM 2216 CG LYS A 198 20.187 8.782 3.505 1.00 0.75 C ATOM 2217 CD LYS A 198 20.082 10.229 3.052 1.00 0.94 C ATOM 2218 CE LYS A 198 18.711 10.814 3.343 1.00 0.98 C ATOM 2219 NZ LYS A 198 18.643 12.262 3.021 1.00 1.38 N ATOM 0 H LYS A 198 17.822 7.185 4.012 1.00 0.47 H new ATOM 0 HA LYS A 198 19.283 7.440 6.532 1.00 0.49 H new ATOM 0 HB2 LYS A 198 20.229 9.644 5.464 1.00 0.59 H new ATOM 0 HB3 LYS A 198 21.093 8.126 5.330 1.00 0.59 H new ATOM 0 HG2 LYS A 198 21.101 8.344 3.104 1.00 0.75 H new ATOM 0 HG3 LYS A 198 19.353 8.213 3.093 1.00 0.75 H new ATOM 0 HD2 LYS A 198 20.845 10.823 3.555 1.00 0.94 H new ATOM 0 HD3 LYS A 198 20.284 10.290 1.983 1.00 0.94 H new ATOM 0 HE2 LYS A 198 17.958 10.278 2.764 1.00 0.98 H new ATOM 0 HE3 LYS A 198 18.469 10.665 4.395 1.00 0.98 H new ATOM 0 HZ1 LYS A 198 18.079 12.752 3.744 1.00 1.38 H new ATOM 0 HZ2 LYS A 198 19.604 12.659 3.003 1.00 1.38 H new ATOM 0 HZ3 LYS A 198 18.198 12.390 2.090 1.00 1.38 H new ATOM 2233 N ASP A 199 18.060 9.806 6.793 1.00 0.52 N ATOM 2234 CA ASP A 199 17.008 10.686 7.292 1.00 0.56 C ATOM 2235 C ASP A 199 16.351 11.491 6.174 1.00 0.55 C ATOM 2236 O ASP A 199 16.987 12.300 5.498 1.00 0.67 O ATOM 2237 CB ASP A 199 17.544 11.620 8.390 1.00 0.67 C ATOM 2238 CG ASP A 199 18.653 12.534 7.912 1.00 1.56 C ATOM 2239 OD1 ASP A 199 19.776 12.039 7.674 1.00 2.23 O ATOM 2240 OD2 ASP A 199 18.405 13.750 7.759 1.00 2.13 O ATOM 0 H ASP A 199 18.980 9.986 7.195 1.00 0.52 H new ATOM 0 HA ASP A 199 16.239 10.046 7.726 1.00 0.56 H new ATOM 0 HB2 ASP A 199 16.723 12.226 8.774 1.00 0.67 H new ATOM 0 HB3 ASP A 199 17.912 11.018 9.221 1.00 0.67 H new ATOM 2245 N ILE A 200 15.069 11.224 5.975 1.00 0.52 N ATOM 2246 CA ILE A 200 14.262 11.946 5.001 1.00 0.55 C ATOM 2247 C ILE A 200 14.031 13.379 5.446 1.00 0.54 C ATOM 2248 O ILE A 200 13.822 13.643 6.630 1.00 0.57 O ATOM 2249 CB ILE A 200 12.890 11.251 4.792 1.00 0.63 C ATOM 2250 CG1 ILE A 200 13.019 10.068 3.834 1.00 0.69 C ATOM 2251 CG2 ILE A 200 11.831 12.222 4.286 1.00 0.80 C ATOM 2252 CD1 ILE A 200 13.639 10.430 2.503 1.00 0.88 C ATOM 0 H ILE A 200 14.559 10.502 6.483 1.00 0.52 H new ATOM 0 HA ILE A 200 14.811 11.946 4.059 1.00 0.55 H new ATOM 0 HB ILE A 200 12.567 10.884 5.766 1.00 0.63 H new ATOM 0 HG12 ILE A 200 13.622 9.293 4.307 1.00 0.69 H new ATOM 0 HG13 ILE A 200 12.031 9.642 3.661 1.00 0.69 H new ATOM 0 HG21 ILE A 200 10.887 11.694 4.154 1.00 0.80 H new ATOM 0 HG22 ILE A 200 11.699 13.026 5.010 1.00 0.80 H new ATOM 0 HG23 ILE A 200 12.149 12.642 3.332 1.00 0.80 H new ATOM 0 HD11 ILE A 200 13.698 9.541 1.875 1.00 0.88 H new ATOM 0 HD12 ILE A 200 13.025 11.183 2.008 1.00 0.88 H new ATOM 0 HD13 ILE A 200 14.641 10.828 2.664 1.00 0.88 H new ATOM 2264 N GLU A 201 14.087 14.300 4.500 1.00 0.55 N ATOM 2265 CA GLU A 201 13.700 15.673 4.765 1.00 0.57 C ATOM 2266 C GLU A 201 12.187 15.805 4.620 1.00 0.49 C ATOM 2267 O GLU A 201 11.641 15.538 3.551 1.00 0.55 O ATOM 2268 CB GLU A 201 14.403 16.631 3.802 1.00 0.68 C ATOM 2269 CG GLU A 201 15.918 16.581 3.894 1.00 0.81 C ATOM 2270 CD GLU A 201 16.580 17.700 3.119 1.00 1.29 C ATOM 2271 OE1 GLU A 201 16.719 18.808 3.676 1.00 1.51 O ATOM 2272 OE2 GLU A 201 16.971 17.480 1.956 1.00 2.06 O ATOM 0 H GLU A 201 14.396 14.122 3.544 1.00 0.55 H new ATOM 0 HA GLU A 201 13.997 15.934 5.781 1.00 0.57 H new ATOM 0 HB2 GLU A 201 14.101 16.394 2.782 1.00 0.68 H new ATOM 0 HB3 GLU A 201 14.068 17.648 4.005 1.00 0.68 H new ATOM 0 HG2 GLU A 201 16.218 16.640 4.940 1.00 0.81 H new ATOM 0 HG3 GLU A 201 16.271 15.622 3.515 1.00 0.81 H new ATOM 2279 N PRO A 202 11.489 16.176 5.706 1.00 0.43 N ATOM 2280 CA PRO A 202 10.033 16.354 5.696 1.00 0.43 C ATOM 2281 C PRO A 202 9.544 17.144 4.486 1.00 0.45 C ATOM 2282 O PRO A 202 9.952 18.287 4.267 1.00 0.51 O ATOM 2283 CB PRO A 202 9.774 17.125 6.985 1.00 0.49 C ATOM 2284 CG PRO A 202 10.850 16.667 7.905 1.00 0.49 C ATOM 2285 CD PRO A 202 12.061 16.430 7.043 1.00 0.45 C ATOM 0 HA PRO A 202 9.504 15.403 5.633 1.00 0.43 H new ATOM 0 HB2 PRO A 202 9.821 18.202 6.822 1.00 0.49 H new ATOM 0 HB3 PRO A 202 8.785 16.907 7.388 1.00 0.49 H new ATOM 0 HG2 PRO A 202 11.056 17.417 8.669 1.00 0.49 H new ATOM 0 HG3 PRO A 202 10.557 15.755 8.425 1.00 0.49 H new ATOM 0 HD2 PRO A 202 12.725 17.294 7.038 1.00 0.45 H new ATOM 0 HD3 PRO A 202 12.646 15.581 7.397 1.00 0.45 H new ATOM 2293 N GLY A 203 8.674 16.524 3.700 1.00 0.44 N ATOM 2294 CA GLY A 203 8.176 17.157 2.497 1.00 0.52 C ATOM 2295 C GLY A 203 8.464 16.342 1.250 1.00 0.54 C ATOM 2296 O GLY A 203 7.943 16.636 0.172 1.00 0.70 O ATOM 0 H GLY A 203 8.304 15.590 3.876 1.00 0.44 H new ATOM 0 HA2 GLY A 203 7.100 17.308 2.588 1.00 0.52 H new ATOM 0 HA3 GLY A 203 8.629 18.143 2.395 1.00 0.52 H new ATOM 2300 N GLU A 204 9.304 15.321 1.389 1.00 0.48 N ATOM 2301 CA GLU A 204 9.621 14.434 0.274 1.00 0.51 C ATOM 2302 C GLU A 204 9.557 12.970 0.705 1.00 0.39 C ATOM 2303 O GLU A 204 10.196 12.568 1.675 1.00 0.40 O ATOM 2304 CB GLU A 204 11.006 14.764 -0.292 1.00 0.65 C ATOM 2305 CG GLU A 204 12.114 14.724 0.747 1.00 0.71 C ATOM 2306 CD GLU A 204 13.472 15.046 0.172 1.00 0.99 C ATOM 2307 OE1 GLU A 204 14.387 14.202 0.298 1.00 1.16 O ATOM 2308 OE2 GLU A 204 13.631 16.134 -0.415 1.00 1.27 O ATOM 0 H GLU A 204 9.777 15.087 2.262 1.00 0.48 H new ATOM 0 HA GLU A 204 8.877 14.590 -0.507 1.00 0.51 H new ATOM 0 HB2 GLU A 204 11.241 14.058 -1.089 1.00 0.65 H new ATOM 0 HB3 GLU A 204 10.978 15.756 -0.743 1.00 0.65 H new ATOM 0 HG2 GLU A 204 11.885 15.433 1.542 1.00 0.71 H new ATOM 0 HG3 GLU A 204 12.143 13.734 1.201 1.00 0.71 H new ATOM 2315 N GLU A 205 8.757 12.184 0.004 1.00 0.47 N ATOM 2316 CA GLU A 205 8.647 10.758 0.287 1.00 0.51 C ATOM 2317 C GLU A 205 9.290 9.928 -0.820 1.00 0.43 C ATOM 2318 O GLU A 205 8.773 9.852 -1.929 1.00 0.49 O ATOM 2319 CB GLU A 205 7.179 10.366 0.478 1.00 0.80 C ATOM 2320 CG GLU A 205 6.243 10.901 -0.600 1.00 1.49 C ATOM 2321 CD GLU A 205 5.585 9.798 -1.406 1.00 2.41 C ATOM 2322 OE1 GLU A 205 5.943 9.630 -2.593 1.00 2.84 O ATOM 2323 OE2 GLU A 205 4.717 9.095 -0.848 1.00 2.92 O ATOM 0 H GLU A 205 8.172 12.507 -0.767 1.00 0.47 H new ATOM 0 HA GLU A 205 9.184 10.551 1.212 1.00 0.51 H new ATOM 0 HB2 GLU A 205 7.105 9.279 0.500 1.00 0.80 H new ATOM 0 HB3 GLU A 205 6.841 10.729 1.449 1.00 0.80 H new ATOM 0 HG2 GLU A 205 5.472 11.514 -0.134 1.00 1.49 H new ATOM 0 HG3 GLU A 205 6.804 11.551 -1.272 1.00 1.49 H new ATOM 2330 N LEU A 206 10.440 9.330 -0.542 1.00 0.37 N ATOM 2331 CA LEU A 206 11.083 8.480 -1.536 1.00 0.36 C ATOM 2332 C LEU A 206 11.312 7.078 -0.969 1.00 0.36 C ATOM 2333 O LEU A 206 12.286 6.850 -0.259 1.00 0.39 O ATOM 2334 CB LEU A 206 12.444 9.069 -1.973 1.00 0.41 C ATOM 2335 CG LEU A 206 12.473 10.531 -2.449 1.00 0.44 C ATOM 2336 CD1 LEU A 206 11.383 10.805 -3.475 1.00 0.90 C ATOM 2337 CD2 LEU A 206 12.379 11.482 -1.269 1.00 0.84 C ATOM 0 H LEU A 206 10.939 9.414 0.344 1.00 0.37 H new ATOM 0 HA LEU A 206 10.422 8.427 -2.401 1.00 0.36 H new ATOM 0 HB2 LEU A 206 13.134 8.976 -1.134 1.00 0.41 H new ATOM 0 HB3 LEU A 206 12.835 8.447 -2.778 1.00 0.41 H new ATOM 0 HG LEU A 206 13.429 10.704 -2.944 1.00 0.44 H new ATOM 0 HD11 LEU A 206 11.433 11.847 -3.789 1.00 0.90 H new ATOM 0 HD12 LEU A 206 11.527 10.158 -4.340 1.00 0.90 H new ATOM 0 HD13 LEU A 206 10.407 10.606 -3.031 1.00 0.90 H new ATOM 0 HD21 LEU A 206 12.401 12.511 -1.628 1.00 0.84 H new ATOM 0 HD22 LEU A 206 11.447 11.305 -0.732 1.00 0.84 H new ATOM 0 HD23 LEU A 206 13.221 11.314 -0.598 1.00 0.84 H new ATOM 2349 N LEU A 207 10.421 6.144 -1.306 1.00 0.37 N ATOM 2350 CA LEU A 207 10.562 4.729 -0.941 1.00 0.40 C ATOM 2351 C LEU A 207 9.933 3.865 -2.035 1.00 0.43 C ATOM 2352 O LEU A 207 8.714 3.745 -2.113 1.00 0.53 O ATOM 2353 CB LEU A 207 9.872 4.404 0.406 1.00 0.43 C ATOM 2354 CG LEU A 207 10.649 4.717 1.697 1.00 0.45 C ATOM 2355 CD1 LEU A 207 12.118 4.343 1.570 1.00 0.49 C ATOM 2356 CD2 LEU A 207 10.487 6.177 2.101 1.00 0.44 C ATOM 0 H LEU A 207 9.577 6.346 -1.842 1.00 0.37 H new ATOM 0 HA LEU A 207 11.626 4.518 -0.836 1.00 0.40 H new ATOM 0 HB2 LEU A 207 8.929 4.949 0.441 1.00 0.43 H new ATOM 0 HB3 LEU A 207 9.627 3.342 0.410 1.00 0.43 H new ATOM 0 HG LEU A 207 10.221 4.103 2.490 1.00 0.45 H new ATOM 0 HD11 LEU A 207 12.635 4.578 2.500 1.00 0.49 H new ATOM 0 HD12 LEU A 207 12.205 3.276 1.366 1.00 0.49 H new ATOM 0 HD13 LEU A 207 12.568 4.907 0.753 1.00 0.49 H new ATOM 0 HD21 LEU A 207 11.048 6.366 3.016 1.00 0.44 H new ATOM 0 HD22 LEU A 207 10.865 6.819 1.305 1.00 0.44 H new ATOM 0 HD23 LEU A 207 9.432 6.393 2.271 1.00 0.44 H new ATOM 2368 N VAL A 208 10.774 3.233 -2.837 1.00 0.43 N ATOM 2369 CA VAL A 208 10.353 2.363 -3.937 1.00 0.50 C ATOM 2370 C VAL A 208 11.469 1.362 -4.205 1.00 0.57 C ATOM 2371 O VAL A 208 12.614 1.606 -3.822 1.00 0.59 O ATOM 2372 CB VAL A 208 10.068 3.167 -5.240 1.00 0.48 C ATOM 2373 CG1 VAL A 208 9.471 2.276 -6.320 1.00 0.91 C ATOM 2374 CG2 VAL A 208 9.147 4.325 -4.950 1.00 0.88 C ATOM 0 H VAL A 208 11.787 3.308 -2.745 1.00 0.43 H new ATOM 0 HA VAL A 208 9.429 1.863 -3.648 1.00 0.50 H new ATOM 0 HB VAL A 208 11.018 3.553 -5.610 1.00 0.48 H new ATOM 0 HG11 VAL A 208 9.284 2.867 -7.217 1.00 0.91 H new ATOM 0 HG12 VAL A 208 10.168 1.472 -6.555 1.00 0.91 H new ATOM 0 HG13 VAL A 208 8.533 1.851 -5.963 1.00 0.91 H new ATOM 0 HG21 VAL A 208 8.957 4.878 -5.870 1.00 0.88 H new ATOM 0 HG22 VAL A 208 8.205 3.949 -4.551 1.00 0.88 H new ATOM 0 HG23 VAL A 208 9.613 4.986 -4.219 1.00 0.88 H new ATOM 2384 N HIS A 209 11.158 0.239 -4.833 1.00 0.69 N ATOM 2385 CA HIS A 209 12.202 -0.677 -5.242 1.00 0.82 C ATOM 2386 C HIS A 209 12.724 -0.217 -6.586 1.00 0.94 C ATOM 2387 O HIS A 209 12.039 -0.324 -7.604 1.00 1.09 O ATOM 2388 CB HIS A 209 11.678 -2.112 -5.341 1.00 1.02 C ATOM 2389 CG HIS A 209 12.766 -3.146 -5.366 1.00 1.20 C ATOM 2390 ND1 HIS A 209 12.770 -4.168 -6.281 1.00 1.42 N ATOM 2391 CD2 HIS A 209 13.843 -3.279 -4.553 1.00 1.41 C ATOM 2392 CE1 HIS A 209 13.838 -4.895 -6.008 1.00 1.54 C ATOM 2393 NE2 HIS A 209 14.520 -4.397 -4.969 1.00 1.55 N ATOM 0 H HIS A 209 10.209 -0.053 -5.066 1.00 0.69 H new ATOM 0 HA HIS A 209 12.999 -0.676 -4.498 1.00 0.82 H new ATOM 0 HB2 HIS A 209 11.020 -2.309 -4.495 1.00 1.02 H new ATOM 0 HB3 HIS A 209 11.075 -2.209 -6.244 1.00 1.02 H new ATOM 0 HD2 HIS A 209 14.116 -2.629 -3.735 1.00 1.41 H new ATOM 0 HE1 HIS A 209 14.126 -5.781 -6.555 1.00 1.54 H new ATOM 0 HE2 HIS A 209 15.377 -4.776 -4.565 1.00 1.55 H new ATOM 2401 N VAL A 210 13.928 0.311 -6.582 1.00 1.14 N ATOM 2402 CA VAL A 210 14.516 0.858 -7.784 1.00 1.45 C ATOM 2403 C VAL A 210 15.193 -0.240 -8.601 1.00 1.58 C ATOM 2404 O VAL A 210 16.350 -0.599 -8.370 1.00 1.82 O ATOM 2405 CB VAL A 210 15.501 2.001 -7.451 1.00 1.92 C ATOM 2406 CG1 VAL A 210 14.739 3.222 -6.958 1.00 2.56 C ATOM 2407 CG2 VAL A 210 16.525 1.568 -6.406 1.00 2.44 C ATOM 0 H VAL A 210 14.522 0.373 -5.755 1.00 1.14 H new ATOM 0 HA VAL A 210 13.716 1.282 -8.391 1.00 1.45 H new ATOM 0 HB VAL A 210 16.039 2.255 -8.364 1.00 1.92 H new ATOM 0 HG11 VAL A 210 15.443 4.021 -6.726 1.00 2.56 H new ATOM 0 HG12 VAL A 210 14.050 3.558 -7.733 1.00 2.56 H new ATOM 0 HG13 VAL A 210 14.177 2.962 -6.061 1.00 2.56 H new ATOM 0 HG21 VAL A 210 17.202 2.396 -6.195 1.00 2.44 H new ATOM 0 HG22 VAL A 210 16.010 1.278 -5.490 1.00 2.44 H new ATOM 0 HG23 VAL A 210 17.096 0.720 -6.785 1.00 2.44 H new