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 113 CYS SG : rot 132:sc= 0.0587 USER MOD Set 1.2: A 185 MET CE :methyl -139:sc= -0.983 (180deg=-2.96) USER MOD Set 1.3: A 194 TYR OH : rot 161:sc= 0.0102 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 178:sc= 0.821 (180deg=0.805) USER MOD Single : A 103 LYS NZ :NH3+ 155:sc= -0.164 (180deg=-0.677) USER MOD Single : A 104 MET CE :methyl -122:sc= -1.54 (180deg=-3.05!) USER MOD Single : A 167 SER OG : rot 180:sc= 0.0632 USER MOD Single : A 170 LYS NZ :NH3+ -170:sc=-0.00175 (180deg=-0.0932) USER MOD Single : A 171 TYR OH : rot 180:sc= 0 USER MOD Single : A 176 CYS SG : rot 170:sc= -0.925 USER MOD Single : A 177 SER OG : rot 180:sc= 0 USER MOD Single : A 178 CYS SG : rot 88:sc= 1.24 USER MOD Single : A 181 GLN : amide:sc= -1.02 K(o=-1,f=-0.19) USER MOD Single : A 182 ASN : amide:sc= -9.33! C(o=-9.3!,f=-16!) USER MOD Single : A 184 THR OG1 : rot 4:sc= 0.322 USER MOD Single : A 186 CYS SG : rot 180:sc= -0.387 USER MOD Single : A 187 GLN : amide:sc= -0.033 K(o=-0.033,f=-0.63) USER MOD Single : A 189 SER OG : rot -56:sc= 0.105 USER MOD Single : A 191 GLN : amide:sc= -0.0109 X(o=-0.011,f=-0.49) USER MOD Single : A 193 TYR OH : rot 180:sc= -0.23 USER MOD Single : A 195 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0446) USER MOD Single : A 198 LYS NZ :NH3+ -135:sc= 0.352 (180deg=-0.015) USER MOD Single : A 209 HIS : no HD1:sc= -0.0278 X(o=-0.028,f=-0.0026) USER MOD ----------------------------------------------------------------- ATOM 388 N ILE A 78 -8.660 4.193 5.190 1.00 1.90 N ATOM 389 CA ILE A 78 -7.377 3.517 5.141 1.00 1.74 C ATOM 390 C ILE A 78 -6.621 3.740 6.447 1.00 1.48 C ATOM 391 O ILE A 78 -6.362 4.884 6.821 1.00 1.42 O ATOM 392 CB ILE A 78 -6.514 4.040 3.971 1.00 1.86 C ATOM 393 CG1 ILE A 78 -7.246 3.854 2.638 1.00 2.18 C ATOM 394 CG2 ILE A 78 -5.164 3.337 3.953 1.00 1.84 C ATOM 395 CD1 ILE A 78 -6.516 4.459 1.457 1.00 2.45 C ATOM 0 HA ILE A 78 -7.567 2.454 4.993 1.00 1.74 H new ATOM 0 HB ILE A 78 -6.341 5.106 4.115 1.00 1.86 H new ATOM 0 HG12 ILE A 78 -7.391 2.789 2.458 1.00 2.18 H new ATOM 0 HG13 ILE A 78 -8.237 4.303 2.711 1.00 2.18 H new ATOM 0 HG21 ILE A 78 -4.567 3.716 3.123 1.00 1.84 H new ATOM 0 HG22 ILE A 78 -4.643 3.527 4.891 1.00 1.84 H new ATOM 0 HG23 ILE A 78 -5.314 2.264 3.832 1.00 1.84 H new ATOM 0 HD11 ILE A 78 -7.092 4.289 0.547 1.00 2.45 H new ATOM 0 HD12 ILE A 78 -6.394 5.531 1.615 1.00 2.45 H new ATOM 0 HD13 ILE A 78 -5.536 3.993 1.358 1.00 2.45 H new ATOM 407 N PRO A 79 -6.289 2.661 7.171 1.00 1.44 N ATOM 408 CA PRO A 79 -5.473 2.752 8.385 1.00 1.27 C ATOM 409 C PRO A 79 -4.062 3.238 8.073 1.00 1.11 C ATOM 410 O PRO A 79 -3.313 2.576 7.348 1.00 1.23 O ATOM 411 CB PRO A 79 -5.436 1.312 8.917 1.00 1.50 C ATOM 412 CG PRO A 79 -6.547 0.604 8.219 1.00 1.75 C ATOM 413 CD PRO A 79 -6.693 1.278 6.886 1.00 1.70 C ATOM 0 HA PRO A 79 -5.883 3.463 9.102 1.00 1.27 H new ATOM 0 HB2 PRO A 79 -4.476 0.840 8.707 1.00 1.50 H new ATOM 0 HB3 PRO A 79 -5.573 1.289 9.998 1.00 1.50 H new ATOM 0 HG2 PRO A 79 -6.320 -0.455 8.098 1.00 1.75 H new ATOM 0 HG3 PRO A 79 -7.472 0.668 8.792 1.00 1.75 H new ATOM 0 HD2 PRO A 79 -6.056 0.819 6.129 1.00 1.70 H new ATOM 0 HD3 PRO A 79 -7.717 1.224 6.516 1.00 1.70 H new ATOM 421 N ILE A 80 -3.705 4.395 8.611 1.00 0.93 N ATOM 422 CA ILE A 80 -2.401 4.984 8.363 1.00 0.82 C ATOM 423 C ILE A 80 -1.757 5.419 9.675 1.00 0.72 C ATOM 424 O ILE A 80 -2.452 5.793 10.621 1.00 0.74 O ATOM 425 CB ILE A 80 -2.472 6.217 7.418 1.00 0.86 C ATOM 426 CG1 ILE A 80 -3.195 7.399 8.085 1.00 0.89 C ATOM 427 CG2 ILE A 80 -3.157 5.854 6.110 1.00 1.01 C ATOM 428 CD1 ILE A 80 -4.704 7.273 8.118 1.00 0.99 C ATOM 0 H ILE A 80 -4.305 4.946 9.225 1.00 0.93 H new ATOM 0 HA ILE A 80 -1.803 4.213 7.877 1.00 0.82 H new ATOM 0 HB ILE A 80 -1.448 6.525 7.206 1.00 0.86 H new ATOM 0 HG12 ILE A 80 -2.829 7.503 9.106 1.00 0.89 H new ATOM 0 HG13 ILE A 80 -2.931 8.315 7.557 1.00 0.89 H new ATOM 0 HG21 ILE A 80 -3.196 6.731 5.464 1.00 1.01 H new ATOM 0 HG22 ILE A 80 -2.596 5.062 5.613 1.00 1.01 H new ATOM 0 HG23 ILE A 80 -4.170 5.508 6.314 1.00 1.01 H new ATOM 0 HD11 ILE A 80 -5.132 8.149 8.605 1.00 0.99 H new ATOM 0 HD12 ILE A 80 -5.086 7.202 7.099 1.00 0.99 H new ATOM 0 HD13 ILE A 80 -4.982 6.377 8.673 1.00 0.99 H new ATOM 440 N PRO A 81 -0.422 5.344 9.766 1.00 0.68 N ATOM 441 CA PRO A 81 0.315 5.899 10.894 1.00 0.67 C ATOM 442 C PRO A 81 0.404 7.418 10.787 1.00 0.64 C ATOM 443 O PRO A 81 0.739 7.952 9.727 1.00 0.61 O ATOM 444 CB PRO A 81 1.713 5.268 10.776 1.00 0.69 C ATOM 445 CG PRO A 81 1.626 4.276 9.661 1.00 0.71 C ATOM 446 CD PRO A 81 0.473 4.704 8.800 1.00 0.73 C ATOM 0 HA PRO A 81 -0.164 5.686 11.850 1.00 0.67 H new ATOM 0 HB2 PRO A 81 2.467 6.027 10.565 1.00 0.69 H new ATOM 0 HB3 PRO A 81 2.002 4.783 11.708 1.00 0.69 H new ATOM 0 HG2 PRO A 81 2.552 4.255 9.087 1.00 0.71 H new ATOM 0 HG3 PRO A 81 1.468 3.269 10.048 1.00 0.71 H new ATOM 0 HD2 PRO A 81 0.786 5.395 8.017 1.00 0.73 H new ATOM 0 HD3 PRO A 81 -0.002 3.856 8.306 1.00 0.73 H new ATOM 454 N ALA A 82 0.119 8.108 11.885 1.00 0.75 N ATOM 455 CA ALA A 82 0.091 9.570 11.899 1.00 0.80 C ATOM 456 C ALA A 82 1.480 10.160 11.683 1.00 0.71 C ATOM 457 O ALA A 82 1.630 11.369 11.505 1.00 0.78 O ATOM 458 CB ALA A 82 -0.493 10.076 13.207 1.00 1.04 C ATOM 0 H ALA A 82 -0.098 7.677 12.784 1.00 0.75 H new ATOM 0 HA ALA A 82 -0.543 9.895 11.074 1.00 0.80 H new ATOM 0 HB1 ALA A 82 -0.507 11.166 13.202 1.00 1.04 H new ATOM 0 HB2 ALA A 82 -1.510 9.701 13.321 1.00 1.04 H new ATOM 0 HB3 ALA A 82 0.118 9.725 14.038 1.00 1.04 H new ATOM 464 N ASP A 83 2.488 9.299 11.704 1.00 0.67 N ATOM 465 CA ASP A 83 3.866 9.716 11.481 1.00 0.70 C ATOM 466 C ASP A 83 4.080 10.107 10.018 1.00 0.55 C ATOM 467 O ASP A 83 5.023 10.827 9.681 1.00 0.60 O ATOM 468 CB ASP A 83 4.817 8.586 11.877 1.00 0.88 C ATOM 469 CG ASP A 83 6.244 9.058 12.056 1.00 1.05 C ATOM 470 OD1 ASP A 83 6.444 10.118 12.687 1.00 1.39 O ATOM 471 OD2 ASP A 83 7.175 8.342 11.619 1.00 1.66 O ATOM 0 H ASP A 83 2.376 8.300 11.875 1.00 0.67 H new ATOM 0 HA ASP A 83 4.075 10.589 12.099 1.00 0.70 H new ATOM 0 HB2 ASP A 83 4.469 8.133 12.806 1.00 0.88 H new ATOM 0 HB3 ASP A 83 4.789 7.809 11.113 1.00 0.88 H new ATOM 476 N PHE A 84 3.185 9.640 9.153 1.00 0.45 N ATOM 477 CA PHE A 84 3.249 9.962 7.733 1.00 0.41 C ATOM 478 C PHE A 84 1.935 10.595 7.300 1.00 0.40 C ATOM 479 O PHE A 84 0.880 10.284 7.850 1.00 0.56 O ATOM 480 CB PHE A 84 3.526 8.706 6.903 1.00 0.42 C ATOM 481 CG PHE A 84 4.613 7.842 7.477 1.00 0.56 C ATOM 482 CD1 PHE A 84 4.299 6.749 8.269 1.00 0.66 C ATOM 483 CD2 PHE A 84 5.947 8.132 7.239 1.00 0.79 C ATOM 484 CE1 PHE A 84 5.293 5.961 8.811 1.00 0.87 C ATOM 485 CE2 PHE A 84 6.945 7.346 7.778 1.00 0.98 C ATOM 486 CZ PHE A 84 6.617 6.260 8.565 1.00 1.00 C ATOM 0 H PHE A 84 2.405 9.036 9.412 1.00 0.45 H new ATOM 0 HA PHE A 84 4.066 10.665 7.567 1.00 0.41 H new ATOM 0 HB2 PHE A 84 2.610 8.121 6.825 1.00 0.42 H new ATOM 0 HB3 PHE A 84 3.803 9.001 5.891 1.00 0.42 H new ATOM 0 HD1 PHE A 84 3.264 6.511 8.464 1.00 0.66 H new ATOM 0 HD2 PHE A 84 6.208 8.982 6.626 1.00 0.79 H new ATOM 0 HE1 PHE A 84 5.035 5.112 9.427 1.00 0.87 H new ATOM 0 HE2 PHE A 84 7.981 7.580 7.584 1.00 0.98 H new ATOM 0 HZ PHE A 84 7.397 5.645 8.988 1.00 1.00 H new ATOM 496 N GLU A 85 1.991 11.493 6.333 1.00 0.39 N ATOM 497 CA GLU A 85 0.794 12.175 5.884 1.00 0.44 C ATOM 498 C GLU A 85 0.408 11.710 4.489 1.00 0.39 C ATOM 499 O GLU A 85 1.159 11.898 3.535 1.00 0.40 O ATOM 500 CB GLU A 85 1.015 13.691 5.890 1.00 0.61 C ATOM 501 CG GLU A 85 -0.271 14.495 5.907 1.00 1.15 C ATOM 502 CD GLU A 85 -1.094 14.224 7.149 1.00 1.60 C ATOM 503 OE1 GLU A 85 -0.773 14.790 8.216 1.00 1.88 O ATOM 504 OE2 GLU A 85 -2.059 13.438 7.067 1.00 2.27 O ATOM 0 H GLU A 85 2.846 11.765 5.848 1.00 0.39 H new ATOM 0 HA GLU A 85 -0.019 11.933 6.569 1.00 0.44 H new ATOM 0 HB2 GLU A 85 1.612 13.959 6.762 1.00 0.61 H new ATOM 0 HB3 GLU A 85 1.595 13.968 5.010 1.00 0.61 H new ATOM 0 HG2 GLU A 85 -0.035 15.558 5.854 1.00 1.15 H new ATOM 0 HG3 GLU A 85 -0.860 14.255 5.022 1.00 1.15 H new ATOM 511 N LEU A 86 -0.761 11.104 4.376 1.00 0.41 N ATOM 512 CA LEU A 86 -1.258 10.650 3.090 1.00 0.43 C ATOM 513 C LEU A 86 -1.933 11.805 2.374 1.00 0.44 C ATOM 514 O LEU A 86 -2.781 12.491 2.947 1.00 0.48 O ATOM 515 CB LEU A 86 -2.234 9.486 3.285 1.00 0.52 C ATOM 516 CG LEU A 86 -2.670 8.743 2.015 1.00 0.59 C ATOM 517 CD1 LEU A 86 -3.175 7.361 2.375 1.00 0.79 C ATOM 518 CD2 LEU A 86 -3.758 9.506 1.270 1.00 0.70 C ATOM 0 H LEU A 86 -1.384 10.915 5.161 1.00 0.41 H new ATOM 0 HA LEU A 86 -0.426 10.297 2.481 1.00 0.43 H new ATOM 0 HB2 LEU A 86 -1.776 8.765 3.962 1.00 0.52 H new ATOM 0 HB3 LEU A 86 -3.126 9.867 3.781 1.00 0.52 H new ATOM 0 HG LEU A 86 -1.802 8.660 1.360 1.00 0.59 H new ATOM 0 HD11 LEU A 86 -3.483 6.839 1.469 1.00 0.79 H new ATOM 0 HD12 LEU A 86 -2.380 6.799 2.865 1.00 0.79 H new ATOM 0 HD13 LEU A 86 -4.026 7.449 3.050 1.00 0.79 H new ATOM 0 HD21 LEU A 86 -4.044 8.952 0.376 1.00 0.70 H new ATOM 0 HD22 LEU A 86 -4.627 9.624 1.917 1.00 0.70 H new ATOM 0 HD23 LEU A 86 -3.382 10.488 0.984 1.00 0.70 H new ATOM 530 N ARG A 87 -1.558 12.012 1.126 1.00 0.47 N ATOM 531 CA ARG A 87 -2.067 13.131 0.356 1.00 0.55 C ATOM 532 C ARG A 87 -2.267 12.756 -1.104 1.00 0.61 C ATOM 533 O ARG A 87 -1.346 12.279 -1.766 1.00 0.66 O ATOM 534 CB ARG A 87 -1.112 14.322 0.443 1.00 0.62 C ATOM 535 CG ARG A 87 -1.206 15.110 1.741 1.00 0.69 C ATOM 536 CD ARG A 87 -0.585 16.488 1.578 1.00 1.04 C ATOM 537 NE ARG A 87 -0.959 17.400 2.656 1.00 1.63 N ATOM 538 CZ ARG A 87 -0.993 18.725 2.521 1.00 2.32 C ATOM 539 NH1 ARG A 87 -0.672 19.287 1.362 1.00 2.62 N ATOM 540 NH2 ARG A 87 -1.357 19.490 3.541 1.00 3.21 N ATOM 0 H ARG A 87 -0.900 11.417 0.622 1.00 0.47 H new ATOM 0 HA ARG A 87 -3.032 13.405 0.782 1.00 0.55 H new ATOM 0 HB2 ARG A 87 -0.090 13.962 0.324 1.00 0.62 H new ATOM 0 HB3 ARG A 87 -1.312 14.994 -0.391 1.00 0.62 H new ATOM 0 HG2 ARG A 87 -2.250 15.209 2.038 1.00 0.69 H new ATOM 0 HG3 ARG A 87 -0.698 14.568 2.539 1.00 0.69 H new ATOM 0 HD2 ARG A 87 0.500 16.393 1.547 1.00 1.04 H new ATOM 0 HD3 ARG A 87 -0.895 16.912 0.623 1.00 1.04 H new ATOM 0 HE ARG A 87 -1.208 17.001 3.561 1.00 1.63 H new ATOM 0 HH11 ARG A 87 -0.398 18.704 0.571 1.00 2.62 H new ATOM 0 HH12 ARG A 87 -0.699 20.302 1.262 1.00 2.62 H new ATOM 0 HH21 ARG A 87 -1.612 19.064 4.432 1.00 3.21 H new ATOM 0 HH22 ARG A 87 -1.382 20.504 3.434 1.00 3.21 H new ATOM 554 N GLU A 88 -3.478 12.951 -1.598 1.00 0.73 N ATOM 555 CA GLU A 88 -3.744 12.797 -3.017 1.00 0.84 C ATOM 556 C GLU A 88 -3.363 14.081 -3.747 1.00 0.87 C ATOM 557 O GLU A 88 -3.993 15.126 -3.559 1.00 0.98 O ATOM 558 CB GLU A 88 -5.217 12.455 -3.255 1.00 1.06 C ATOM 559 CG GLU A 88 -5.637 11.127 -2.641 1.00 1.61 C ATOM 560 CD GLU A 88 -7.107 10.823 -2.844 1.00 1.96 C ATOM 561 OE1 GLU A 88 -7.931 11.286 -2.031 1.00 2.46 O ATOM 562 OE2 GLU A 88 -7.448 10.117 -3.816 1.00 2.21 O ATOM 0 H GLU A 88 -4.289 13.215 -1.039 1.00 0.73 H new ATOM 0 HA GLU A 88 -3.143 11.975 -3.407 1.00 0.84 H new ATOM 0 HB2 GLU A 88 -5.838 13.250 -2.842 1.00 1.06 H new ATOM 0 HB3 GLU A 88 -5.407 12.427 -4.328 1.00 1.06 H new ATOM 0 HG2 GLU A 88 -5.042 10.326 -3.078 1.00 1.61 H new ATOM 0 HG3 GLU A 88 -5.418 11.141 -1.573 1.00 1.61 H new ATOM 569 N SER A 89 -2.328 13.995 -4.568 1.00 0.85 N ATOM 570 CA SER A 89 -1.808 15.146 -5.289 1.00 0.95 C ATOM 571 C SER A 89 -0.793 14.672 -6.319 1.00 0.90 C ATOM 572 O SER A 89 -0.144 13.647 -6.122 1.00 1.11 O ATOM 573 CB SER A 89 -1.153 16.136 -4.314 1.00 1.03 C ATOM 574 OG SER A 89 -0.714 17.312 -4.979 1.00 1.58 O ATOM 0 H SER A 89 -1.826 13.127 -4.753 1.00 0.85 H new ATOM 0 HA SER A 89 -2.628 15.657 -5.794 1.00 0.95 H new ATOM 0 HB2 SER A 89 -1.865 16.403 -3.533 1.00 1.03 H new ATOM 0 HB3 SER A 89 -0.306 15.657 -3.823 1.00 1.03 H new ATOM 0 HG SER A 89 -0.304 17.921 -4.330 1.00 1.58 H new ATOM 580 N SER A 90 -0.680 15.391 -7.423 1.00 0.86 N ATOM 581 CA SER A 90 0.279 15.046 -8.456 1.00 0.88 C ATOM 582 C SER A 90 1.521 15.929 -8.362 1.00 0.87 C ATOM 583 O SER A 90 1.489 17.103 -8.735 1.00 1.02 O ATOM 584 CB SER A 90 -0.367 15.187 -9.834 1.00 1.13 C ATOM 585 OG SER A 90 -1.543 14.397 -9.925 1.00 1.86 O ATOM 0 H SER A 90 -1.242 16.218 -7.626 1.00 0.86 H new ATOM 0 HA SER A 90 0.587 14.011 -8.310 1.00 0.88 H new ATOM 0 HB2 SER A 90 -0.611 16.233 -10.020 1.00 1.13 H new ATOM 0 HB3 SER A 90 0.341 14.883 -10.605 1.00 1.13 H new ATOM 0 HG SER A 90 -1.941 14.504 -10.814 1.00 1.86 H new ATOM 591 N ILE A 91 2.609 15.364 -7.859 1.00 0.86 N ATOM 592 CA ILE A 91 3.879 16.073 -7.813 1.00 1.01 C ATOM 593 C ILE A 91 4.735 15.654 -9.014 1.00 1.09 C ATOM 594 O ILE A 91 4.983 14.465 -9.224 1.00 1.08 O ATOM 595 CB ILE A 91 4.621 15.838 -6.458 1.00 1.10 C ATOM 596 CG1 ILE A 91 5.967 16.582 -6.397 1.00 1.35 C ATOM 597 CG2 ILE A 91 4.821 14.354 -6.190 1.00 1.07 C ATOM 598 CD1 ILE A 91 7.133 15.840 -7.024 1.00 1.45 C ATOM 0 H ILE A 91 2.638 14.418 -7.478 1.00 0.86 H new ATOM 0 HA ILE A 91 3.690 17.145 -7.874 1.00 1.01 H new ATOM 0 HB ILE A 91 3.983 16.249 -5.675 1.00 1.10 H new ATOM 0 HG12 ILE A 91 5.857 17.545 -6.896 1.00 1.35 H new ATOM 0 HG13 ILE A 91 6.205 16.789 -5.354 1.00 1.35 H new ATOM 0 HG21 ILE A 91 5.340 14.222 -5.240 1.00 1.07 H new ATOM 0 HG22 ILE A 91 3.851 13.858 -6.145 1.00 1.07 H new ATOM 0 HG23 ILE A 91 5.416 13.916 -6.992 1.00 1.07 H new ATOM 0 HD11 ILE A 91 8.038 16.441 -6.934 1.00 1.45 H new ATOM 0 HD12 ILE A 91 7.277 14.889 -6.512 1.00 1.45 H new ATOM 0 HD13 ILE A 91 6.923 15.657 -8.078 1.00 1.45 H new ATOM 610 N PRO A 92 5.171 16.630 -9.830 1.00 1.24 N ATOM 611 CA PRO A 92 5.913 16.365 -11.070 1.00 1.37 C ATOM 612 C PRO A 92 7.209 15.597 -10.829 1.00 1.47 C ATOM 613 O PRO A 92 8.089 16.047 -10.092 1.00 1.61 O ATOM 614 CB PRO A 92 6.210 17.761 -11.629 1.00 1.58 C ATOM 615 CG PRO A 92 6.046 18.686 -10.473 1.00 1.59 C ATOM 616 CD PRO A 92 4.986 18.074 -9.607 1.00 1.37 C ATOM 0 HA PRO A 92 5.338 15.737 -11.751 1.00 1.37 H new ATOM 0 HB2 PRO A 92 7.219 17.815 -12.037 1.00 1.58 H new ATOM 0 HB3 PRO A 92 5.525 18.016 -12.438 1.00 1.58 H new ATOM 0 HG2 PRO A 92 6.982 18.797 -9.926 1.00 1.59 H new ATOM 0 HG3 PRO A 92 5.752 19.681 -10.807 1.00 1.59 H new ATOM 0 HD2 PRO A 92 5.117 18.341 -8.558 1.00 1.37 H new ATOM 0 HD3 PRO A 92 3.988 18.403 -9.897 1.00 1.37 H new ATOM 624 N GLY A 93 7.313 14.436 -11.454 1.00 1.47 N ATOM 625 CA GLY A 93 8.491 13.613 -11.303 1.00 1.62 C ATOM 626 C GLY A 93 8.218 12.376 -10.476 1.00 1.58 C ATOM 627 O GLY A 93 9.003 11.427 -10.488 1.00 1.74 O ATOM 0 H GLY A 93 6.597 14.047 -12.067 1.00 1.47 H new ATOM 0 HA2 GLY A 93 8.855 13.318 -12.287 1.00 1.62 H new ATOM 0 HA3 GLY A 93 9.282 14.196 -10.832 1.00 1.62 H new ATOM 631 N ALA A 94 7.101 12.375 -9.762 1.00 1.40 N ATOM 632 CA ALA A 94 6.732 11.229 -8.943 1.00 1.40 C ATOM 633 C ALA A 94 5.273 10.835 -9.149 1.00 1.27 C ATOM 634 O ALA A 94 4.975 9.720 -9.574 1.00 1.38 O ATOM 635 CB ALA A 94 6.992 11.520 -7.476 1.00 1.41 C ATOM 0 H ALA A 94 6.438 13.150 -9.733 1.00 1.40 H new ATOM 0 HA ALA A 94 7.352 10.389 -9.256 1.00 1.40 H new ATOM 0 HB1 ALA A 94 6.711 10.653 -6.878 1.00 1.41 H new ATOM 0 HB2 ALA A 94 8.051 11.734 -7.330 1.00 1.41 H new ATOM 0 HB3 ALA A 94 6.401 12.382 -7.166 1.00 1.41 H new ATOM 641 N GLY A 95 4.374 11.760 -8.855 1.00 1.09 N ATOM 642 CA GLY A 95 2.958 11.480 -8.927 1.00 1.02 C ATOM 643 C GLY A 95 2.284 11.714 -7.596 1.00 0.91 C ATOM 644 O GLY A 95 2.400 12.793 -7.027 1.00 1.02 O ATOM 0 H GLY A 95 4.604 12.710 -8.565 1.00 1.09 H new ATOM 0 HA2 GLY A 95 2.498 12.113 -9.686 1.00 1.02 H new ATOM 0 HA3 GLY A 95 2.805 10.447 -9.238 1.00 1.02 H new ATOM 648 N LEU A 96 1.580 10.715 -7.101 1.00 0.79 N ATOM 649 CA LEU A 96 1.000 10.771 -5.764 1.00 0.70 C ATOM 650 C LEU A 96 2.002 10.239 -4.743 1.00 0.65 C ATOM 651 O LEU A 96 2.969 9.578 -5.119 1.00 0.99 O ATOM 652 CB LEU A 96 -0.331 9.999 -5.698 1.00 0.77 C ATOM 653 CG LEU A 96 -0.414 8.719 -6.540 1.00 1.35 C ATOM 654 CD1 LEU A 96 0.517 7.654 -6.001 1.00 2.05 C ATOM 655 CD2 LEU A 96 -1.845 8.204 -6.580 1.00 2.31 C ATOM 0 H LEU A 96 1.392 9.848 -7.604 1.00 0.79 H new ATOM 0 HA LEU A 96 0.778 11.811 -5.524 1.00 0.70 H new ATOM 0 HB2 LEU A 96 -0.524 9.738 -4.658 1.00 0.77 H new ATOM 0 HB3 LEU A 96 -1.131 10.669 -6.013 1.00 0.77 H new ATOM 0 HG LEU A 96 -0.100 8.959 -7.556 1.00 1.35 H new ATOM 0 HD11 LEU A 96 0.439 6.757 -6.616 1.00 2.05 H new ATOM 0 HD12 LEU A 96 1.543 8.022 -6.025 1.00 2.05 H new ATOM 0 HD13 LEU A 96 0.241 7.415 -4.974 1.00 2.05 H new ATOM 0 HD21 LEU A 96 -1.888 7.296 -7.181 1.00 2.31 H new ATOM 0 HD22 LEU A 96 -2.181 7.985 -5.567 1.00 2.31 H new ATOM 0 HD23 LEU A 96 -2.492 8.962 -7.021 1.00 2.31 H new ATOM 667 N GLY A 97 1.813 10.571 -3.472 1.00 0.59 N ATOM 668 CA GLY A 97 2.701 10.062 -2.446 1.00 0.57 C ATOM 669 C GLY A 97 2.307 10.510 -1.055 1.00 0.52 C ATOM 670 O GLY A 97 1.439 11.367 -0.895 1.00 0.55 O ATOM 0 H GLY A 97 1.066 11.179 -3.135 1.00 0.59 H new ATOM 0 HA2 GLY A 97 2.706 8.973 -2.484 1.00 0.57 H new ATOM 0 HA3 GLY A 97 3.718 10.393 -2.655 1.00 0.57 H new ATOM 674 N VAL A 98 2.935 9.916 -0.050 1.00 0.48 N ATOM 675 CA VAL A 98 2.734 10.335 1.329 1.00 0.46 C ATOM 676 C VAL A 98 3.943 11.136 1.787 1.00 0.47 C ATOM 677 O VAL A 98 5.052 10.916 1.303 1.00 0.67 O ATOM 678 CB VAL A 98 2.493 9.142 2.289 1.00 0.47 C ATOM 679 CG1 VAL A 98 1.375 8.250 1.771 1.00 0.49 C ATOM 680 CG2 VAL A 98 3.763 8.332 2.509 1.00 0.53 C ATOM 0 H VAL A 98 3.589 9.141 -0.165 1.00 0.48 H new ATOM 0 HA VAL A 98 1.834 10.949 1.360 1.00 0.46 H new ATOM 0 HB VAL A 98 2.192 9.554 3.252 1.00 0.47 H new ATOM 0 HG11 VAL A 98 1.223 7.419 2.460 1.00 0.49 H new ATOM 0 HG12 VAL A 98 0.455 8.829 1.692 1.00 0.49 H new ATOM 0 HG13 VAL A 98 1.645 7.862 0.789 1.00 0.49 H new ATOM 0 HG21 VAL A 98 3.554 7.505 3.187 1.00 0.53 H new ATOM 0 HG22 VAL A 98 4.114 7.939 1.555 1.00 0.53 H new ATOM 0 HG23 VAL A 98 4.532 8.971 2.943 1.00 0.53 H new ATOM 690 N TRP A 99 3.730 12.087 2.677 1.00 0.38 N ATOM 691 CA TRP A 99 4.813 12.938 3.141 1.00 0.39 C ATOM 692 C TRP A 99 5.022 12.776 4.643 1.00 0.35 C ATOM 693 O TRP A 99 4.108 13.010 5.432 1.00 0.38 O ATOM 694 CB TRP A 99 4.513 14.405 2.812 1.00 0.44 C ATOM 695 CG TRP A 99 4.123 14.637 1.381 1.00 0.50 C ATOM 696 CD1 TRP A 99 2.963 15.195 0.936 1.00 0.66 C ATOM 697 CD2 TRP A 99 4.881 14.305 0.213 1.00 0.62 C ATOM 698 NE1 TRP A 99 2.954 15.241 -0.436 1.00 0.69 N ATOM 699 CE2 TRP A 99 4.121 14.696 -0.904 1.00 0.66 C ATOM 700 CE3 TRP A 99 6.128 13.718 0.006 1.00 0.88 C ATOM 701 CZ2 TRP A 99 4.572 14.518 -2.210 1.00 0.82 C ATOM 702 CZ3 TRP A 99 6.575 13.539 -1.290 1.00 1.13 C ATOM 703 CH2 TRP A 99 5.798 13.938 -2.383 1.00 1.06 C ATOM 0 H TRP A 99 2.821 12.290 3.093 1.00 0.38 H new ATOM 0 HA TRP A 99 5.727 12.637 2.628 1.00 0.39 H new ATOM 0 HB2 TRP A 99 3.709 14.756 3.459 1.00 0.44 H new ATOM 0 HB3 TRP A 99 5.393 15.006 3.041 1.00 0.44 H new ATOM 0 HD1 TRP A 99 2.165 15.550 1.571 1.00 0.66 H new ATOM 0 HE1 TRP A 99 2.202 15.619 -1.012 1.00 0.69 H new ATOM 0 HE3 TRP A 99 6.735 13.408 0.844 1.00 0.88 H new ATOM 0 HZ2 TRP A 99 3.975 14.827 -3.055 1.00 0.82 H new ATOM 0 HZ3 TRP A 99 7.539 13.084 -1.461 1.00 1.13 H new ATOM 0 HH2 TRP A 99 6.174 13.785 -3.384 1.00 1.06 H new ATOM 714 N ALA A 100 6.215 12.354 5.034 1.00 0.39 N ATOM 715 CA ALA A 100 6.553 12.236 6.442 1.00 0.42 C ATOM 716 C ALA A 100 6.716 13.615 7.061 1.00 0.43 C ATOM 717 O ALA A 100 7.529 14.414 6.604 1.00 0.49 O ATOM 718 CB ALA A 100 7.824 11.419 6.626 1.00 0.54 C ATOM 0 H ALA A 100 6.964 12.088 4.395 1.00 0.39 H new ATOM 0 HA ALA A 100 5.739 11.718 6.948 1.00 0.42 H new ATOM 0 HB1 ALA A 100 8.058 11.344 7.688 1.00 0.54 H new ATOM 0 HB2 ALA A 100 7.677 10.420 6.215 1.00 0.54 H new ATOM 0 HB3 ALA A 100 8.649 11.907 6.107 1.00 0.54 H new ATOM 724 N LYS A 101 5.939 13.895 8.096 1.00 0.47 N ATOM 725 CA LYS A 101 5.984 15.199 8.750 1.00 0.57 C ATOM 726 C LYS A 101 7.006 15.184 9.881 1.00 0.56 C ATOM 727 O LYS A 101 7.068 16.094 10.708 1.00 0.63 O ATOM 728 CB LYS A 101 4.594 15.612 9.267 1.00 0.69 C ATOM 729 CG LYS A 101 4.116 14.875 10.509 1.00 1.17 C ATOM 730 CD LYS A 101 3.549 13.512 10.162 1.00 0.84 C ATOM 731 CE LYS A 101 2.242 13.605 9.401 1.00 0.88 C ATOM 732 NZ LYS A 101 1.183 14.307 10.168 1.00 1.68 N ATOM 0 H LYS A 101 5.270 13.240 8.502 1.00 0.47 H new ATOM 0 HA LYS A 101 6.292 15.941 8.014 1.00 0.57 H new ATOM 0 HB2 LYS A 101 4.607 16.681 9.482 1.00 0.69 H new ATOM 0 HB3 LYS A 101 3.867 15.456 8.470 1.00 0.69 H new ATOM 0 HG2 LYS A 101 4.946 14.758 11.206 1.00 1.17 H new ATOM 0 HG3 LYS A 101 3.355 15.469 11.016 1.00 1.17 H new ATOM 0 HD2 LYS A 101 4.275 12.961 9.565 1.00 0.84 H new ATOM 0 HD3 LYS A 101 3.393 12.943 11.078 1.00 0.84 H new ATOM 0 HE2 LYS A 101 2.411 14.128 8.460 1.00 0.88 H new ATOM 0 HE3 LYS A 101 1.899 12.601 9.151 1.00 0.88 H new ATOM 0 HZ1 LYS A 101 0.321 14.373 9.590 1.00 1.68 H new ATOM 0 HZ2 LYS A 101 0.976 13.777 11.039 1.00 1.68 H new ATOM 0 HZ3 LYS A 101 1.509 15.264 10.414 1.00 1.68 H new ATOM 746 N ARG A 102 7.807 14.134 9.900 1.00 0.54 N ATOM 747 CA ARG A 102 8.879 13.990 10.865 1.00 0.58 C ATOM 748 C ARG A 102 10.113 13.464 10.144 1.00 0.54 C ATOM 749 O ARG A 102 10.002 12.897 9.059 1.00 0.54 O ATOM 750 CB ARG A 102 8.464 13.030 11.985 1.00 0.72 C ATOM 751 CG ARG A 102 9.487 12.923 13.106 1.00 0.83 C ATOM 752 CD ARG A 102 9.082 11.896 14.146 1.00 1.16 C ATOM 753 NE ARG A 102 8.883 10.573 13.563 1.00 1.80 N ATOM 754 CZ ARG A 102 9.686 9.532 13.764 1.00 2.52 C ATOM 755 NH1 ARG A 102 10.777 9.651 14.514 1.00 2.75 N ATOM 756 NH2 ARG A 102 9.396 8.368 13.204 1.00 3.50 N ATOM 0 H ARG A 102 7.731 13.356 9.245 1.00 0.54 H new ATOM 0 HA ARG A 102 9.101 14.957 11.317 1.00 0.58 H new ATOM 0 HB2 ARG A 102 7.513 13.362 12.403 1.00 0.72 H new ATOM 0 HB3 ARG A 102 8.298 12.040 11.560 1.00 0.72 H new ATOM 0 HG2 ARG A 102 10.457 12.653 12.688 1.00 0.83 H new ATOM 0 HG3 ARG A 102 9.605 13.896 13.583 1.00 0.83 H new ATOM 0 HD2 ARG A 102 9.850 11.840 14.918 1.00 1.16 H new ATOM 0 HD3 ARG A 102 8.162 12.218 14.634 1.00 1.16 H new ATOM 0 HE ARG A 102 8.072 10.437 12.960 1.00 1.80 H new ATOM 0 HH11 ARG A 102 11.006 10.548 14.943 1.00 2.75 H new ATOM 0 HH12 ARG A 102 11.385 8.845 14.661 1.00 2.75 H new ATOM 0 HH21 ARG A 102 8.562 8.275 12.624 1.00 3.50 H new ATOM 0 HH22 ARG A 102 10.006 7.564 13.353 1.00 3.50 H new ATOM 770 N LYS A 103 11.279 13.665 10.733 1.00 0.59 N ATOM 771 CA LYS A 103 12.518 13.227 10.127 1.00 0.63 C ATOM 772 C LYS A 103 12.802 11.773 10.472 1.00 0.68 C ATOM 773 O LYS A 103 12.312 11.253 11.473 1.00 0.82 O ATOM 774 CB LYS A 103 13.674 14.131 10.580 1.00 0.73 C ATOM 775 CG LYS A 103 13.560 14.611 12.022 1.00 0.98 C ATOM 776 CD LYS A 103 13.559 13.460 13.009 1.00 1.17 C ATOM 777 CE LYS A 103 14.967 12.970 13.312 1.00 2.05 C ATOM 778 NZ LYS A 103 15.804 14.030 13.938 1.00 2.40 N ATOM 0 H LYS A 103 11.391 14.131 11.634 1.00 0.59 H new ATOM 0 HA LYS A 103 12.422 13.301 9.044 1.00 0.63 H new ATOM 0 HB2 LYS A 103 14.612 13.589 10.462 1.00 0.73 H new ATOM 0 HB3 LYS A 103 13.722 14.999 9.922 1.00 0.73 H new ATOM 0 HG2 LYS A 103 14.390 15.280 12.247 1.00 0.98 H new ATOM 0 HG3 LYS A 103 12.644 15.189 12.140 1.00 0.98 H new ATOM 0 HD2 LYS A 103 13.078 13.776 13.935 1.00 1.17 H new ATOM 0 HD3 LYS A 103 12.967 12.638 12.607 1.00 1.17 H new ATOM 0 HE2 LYS A 103 14.916 12.108 13.978 1.00 2.05 H new ATOM 0 HE3 LYS A 103 15.440 12.632 12.390 1.00 2.05 H new ATOM 0 HZ1 LYS A 103 16.560 13.589 14.499 1.00 2.40 H new ATOM 0 HZ2 LYS A 103 16.225 14.624 13.195 1.00 2.40 H new ATOM 0 HZ3 LYS A 103 15.212 14.619 14.558 1.00 2.40 H new ATOM 792 N MET A 104 13.579 11.121 9.636 1.00 0.73 N ATOM 793 CA MET A 104 13.990 9.754 9.888 1.00 0.83 C ATOM 794 C MET A 104 15.486 9.637 9.676 1.00 0.87 C ATOM 795 O MET A 104 16.065 10.438 8.946 1.00 0.93 O ATOM 796 CB MET A 104 13.232 8.785 8.982 1.00 0.85 C ATOM 797 CG MET A 104 11.780 8.593 9.387 1.00 0.97 C ATOM 798 SD MET A 104 10.869 7.539 8.247 1.00 1.22 S ATOM 799 CE MET A 104 10.948 8.536 6.760 1.00 0.92 C ATOM 0 H MET A 104 13.942 11.517 8.769 1.00 0.73 H new ATOM 0 HA MET A 104 13.754 9.491 10.919 1.00 0.83 H new ATOM 0 HB2 MET A 104 13.270 9.152 7.956 1.00 0.85 H new ATOM 0 HB3 MET A 104 13.736 7.818 8.993 1.00 0.85 H new ATOM 0 HG2 MET A 104 11.741 8.158 10.386 1.00 0.97 H new ATOM 0 HG3 MET A 104 11.292 9.566 9.443 1.00 0.97 H new ATOM 0 HE1 MET A 104 9.938 8.756 6.416 1.00 0.92 H new ATOM 0 HE2 MET A 104 11.470 9.469 6.975 1.00 0.92 H new ATOM 0 HE3 MET A 104 11.485 7.990 5.984 1.00 0.92 H new ATOM 809 N GLU A 105 16.113 8.692 10.350 1.00 0.90 N ATOM 810 CA GLU A 105 17.551 8.514 10.241 1.00 0.93 C ATOM 811 C GLU A 105 17.887 7.122 9.721 1.00 0.89 C ATOM 812 O GLU A 105 17.217 6.147 10.071 1.00 1.13 O ATOM 813 CB GLU A 105 18.218 8.776 11.591 1.00 1.08 C ATOM 814 CG GLU A 105 17.627 7.988 12.743 1.00 1.64 C ATOM 815 CD GLU A 105 18.134 8.474 14.082 1.00 1.94 C ATOM 816 OE1 GLU A 105 17.515 9.396 14.651 1.00 2.25 O ATOM 817 OE2 GLU A 105 19.158 7.947 14.566 1.00 2.31 O ATOM 0 H GLU A 105 15.651 8.035 10.979 1.00 0.90 H new ATOM 0 HA GLU A 105 17.939 9.236 9.522 1.00 0.93 H new ATOM 0 HB2 GLU A 105 19.279 8.539 11.511 1.00 1.08 H new ATOM 0 HB3 GLU A 105 18.145 9.839 11.819 1.00 1.08 H new ATOM 0 HG2 GLU A 105 16.540 8.067 12.717 1.00 1.64 H new ATOM 0 HG3 GLU A 105 17.873 6.933 12.624 1.00 1.64 H new ATOM 824 N ALA A 106 18.945 7.067 8.902 1.00 0.78 N ATOM 825 CA ALA A 106 19.354 5.865 8.160 1.00 0.78 C ATOM 826 C ALA A 106 19.108 4.566 8.921 1.00 0.76 C ATOM 827 O ALA A 106 19.691 4.330 9.984 1.00 0.78 O ATOM 828 CB ALA A 106 20.825 5.969 7.788 1.00 0.84 C ATOM 0 H ALA A 106 19.552 7.869 8.733 1.00 0.78 H new ATOM 0 HA ALA A 106 18.732 5.825 7.266 1.00 0.78 H new ATOM 0 HB1 ALA A 106 21.125 5.077 7.238 1.00 0.84 H new ATOM 0 HB2 ALA A 106 20.981 6.849 7.164 1.00 0.84 H new ATOM 0 HB3 ALA A 106 21.424 6.055 8.694 1.00 0.84 H new ATOM 834 N GLY A 107 18.251 3.725 8.360 1.00 0.83 N ATOM 835 CA GLY A 107 17.920 2.463 8.989 1.00 0.91 C ATOM 836 C GLY A 107 16.454 2.385 9.352 1.00 0.87 C ATOM 837 O GLY A 107 16.016 1.457 10.036 1.00 1.04 O ATOM 0 H GLY A 107 17.776 3.896 7.474 1.00 0.83 H new ATOM 0 HA2 GLY A 107 18.172 1.644 8.315 1.00 0.91 H new ATOM 0 HA3 GLY A 107 18.524 2.335 9.887 1.00 0.91 H new ATOM 841 N GLU A 108 15.701 3.375 8.903 1.00 0.71 N ATOM 842 CA GLU A 108 14.278 3.448 9.177 1.00 0.74 C ATOM 843 C GLU A 108 13.498 2.539 8.229 1.00 0.61 C ATOM 844 O GLU A 108 14.009 2.114 7.187 1.00 0.61 O ATOM 845 CB GLU A 108 13.778 4.895 9.056 1.00 0.87 C ATOM 846 CG GLU A 108 13.997 5.522 7.685 1.00 0.85 C ATOM 847 CD GLU A 108 15.414 6.019 7.458 1.00 1.78 C ATOM 848 OE1 GLU A 108 16.287 5.202 7.091 1.00 2.62 O ATOM 849 OE2 GLU A 108 15.654 7.227 7.647 1.00 2.13 O ATOM 0 H GLU A 108 16.058 4.147 8.341 1.00 0.71 H new ATOM 0 HA GLU A 108 14.112 3.107 10.199 1.00 0.74 H new ATOM 0 HB2 GLU A 108 12.713 4.920 9.288 1.00 0.87 H new ATOM 0 HB3 GLU A 108 14.282 5.505 9.806 1.00 0.87 H new ATOM 0 HG2 GLU A 108 13.752 4.789 6.917 1.00 0.85 H new ATOM 0 HG3 GLU A 108 13.305 6.356 7.562 1.00 0.85 H new ATOM 856 N ARG A 109 12.266 2.225 8.603 1.00 0.63 N ATOM 857 CA ARG A 109 11.418 1.371 7.800 1.00 0.56 C ATOM 858 C ARG A 109 9.981 1.871 7.825 1.00 0.46 C ATOM 859 O ARG A 109 9.516 2.386 8.844 1.00 0.55 O ATOM 860 CB ARG A 109 11.487 -0.062 8.334 1.00 0.73 C ATOM 861 CG ARG A 109 10.326 -0.933 7.892 1.00 0.80 C ATOM 862 CD ARG A 109 9.424 -1.305 9.060 1.00 1.22 C ATOM 863 NE ARG A 109 9.151 -0.178 9.953 1.00 2.02 N ATOM 864 CZ ARG A 109 8.445 -0.274 11.079 1.00 2.71 C ATOM 865 NH1 ARG A 109 7.943 -1.445 11.453 1.00 2.91 N ATOM 866 NH2 ARG A 109 8.241 0.805 11.827 1.00 3.62 N ATOM 0 H ARG A 109 11.833 2.555 9.466 1.00 0.63 H new ATOM 0 HA ARG A 109 11.769 1.390 6.768 1.00 0.56 H new ATOM 0 HB2 ARG A 109 12.420 -0.519 8.003 1.00 0.73 H new ATOM 0 HB3 ARG A 109 11.515 -0.034 9.423 1.00 0.73 H new ATOM 0 HG2 ARG A 109 9.744 -0.407 7.136 1.00 0.80 H new ATOM 0 HG3 ARG A 109 10.709 -1.840 7.425 1.00 0.80 H new ATOM 0 HD2 ARG A 109 8.481 -1.693 8.675 1.00 1.22 H new ATOM 0 HD3 ARG A 109 9.890 -2.109 9.630 1.00 1.22 H new ATOM 0 HE ARG A 109 9.524 0.737 9.698 1.00 2.02 H new ATOM 0 HH11 ARG A 109 8.098 -2.273 10.878 1.00 2.91 H new ATOM 0 HH12 ARG A 109 7.403 -1.516 12.315 1.00 2.91 H new ATOM 0 HH21 ARG A 109 8.625 1.705 11.539 1.00 3.62 H new ATOM 0 HH22 ARG A 109 7.701 0.733 12.689 1.00 3.62 H new ATOM 880 N LEU A 110 9.278 1.714 6.712 1.00 0.38 N ATOM 881 CA LEU A 110 7.856 2.024 6.670 1.00 0.39 C ATOM 882 C LEU A 110 7.059 0.729 6.605 1.00 0.49 C ATOM 883 O LEU A 110 7.541 -0.273 6.075 1.00 0.53 O ATOM 884 CB LEU A 110 7.482 2.868 5.448 1.00 0.35 C ATOM 885 CG LEU A 110 8.364 4.076 5.130 1.00 0.35 C ATOM 886 CD1 LEU A 110 7.596 5.038 4.240 1.00 0.39 C ATOM 887 CD2 LEU A 110 8.830 4.785 6.394 1.00 0.41 C ATOM 0 H LEU A 110 9.666 1.376 5.831 1.00 0.38 H new ATOM 0 HA LEU A 110 7.624 2.593 7.571 1.00 0.39 H new ATOM 0 HB2 LEU A 110 7.479 2.214 4.576 1.00 0.35 H new ATOM 0 HB3 LEU A 110 6.461 3.223 5.584 1.00 0.35 H new ATOM 0 HG LEU A 110 9.255 3.721 4.611 1.00 0.35 H new ATOM 0 HD11 LEU A 110 8.222 5.901 4.011 1.00 0.39 H new ATOM 0 HD12 LEU A 110 7.319 4.535 3.314 1.00 0.39 H new ATOM 0 HD13 LEU A 110 6.695 5.370 4.756 1.00 0.39 H new ATOM 0 HD21 LEU A 110 9.454 5.637 6.124 1.00 0.41 H new ATOM 0 HD22 LEU A 110 7.964 5.133 6.956 1.00 0.41 H new ATOM 0 HD23 LEU A 110 9.407 4.093 7.008 1.00 0.41 H new ATOM 899 N GLY A 111 5.850 0.750 7.141 1.00 0.61 N ATOM 900 CA GLY A 111 4.969 -0.385 6.997 1.00 0.77 C ATOM 901 C GLY A 111 4.728 -1.124 8.294 1.00 0.88 C ATOM 902 O GLY A 111 4.647 -0.499 9.352 1.00 1.02 O ATOM 0 H GLY A 111 5.465 1.531 7.672 1.00 0.61 H new ATOM 0 HA2 GLY A 111 4.013 -0.046 6.597 1.00 0.77 H new ATOM 0 HA3 GLY A 111 5.393 -1.075 6.267 1.00 0.77 H new ATOM 906 N PRO A 112 4.619 -2.467 8.253 1.00 1.23 N ATOM 907 CA PRO A 112 4.766 -3.267 7.019 1.00 1.24 C ATOM 908 C PRO A 112 3.683 -2.976 5.975 1.00 1.05 C ATOM 909 O PRO A 112 2.670 -2.342 6.269 1.00 1.19 O ATOM 910 CB PRO A 112 4.646 -4.712 7.514 1.00 1.78 C ATOM 911 CG PRO A 112 3.915 -4.615 8.807 1.00 2.10 C ATOM 912 CD PRO A 112 4.343 -3.315 9.421 1.00 1.83 C ATOM 0 HA PRO A 112 5.705 -3.042 6.513 1.00 1.24 H new ATOM 0 HB2 PRO A 112 4.104 -5.331 6.799 1.00 1.78 H new ATOM 0 HB3 PRO A 112 5.628 -5.166 7.648 1.00 1.78 H new ATOM 0 HG2 PRO A 112 2.837 -4.637 8.649 1.00 2.10 H new ATOM 0 HG3 PRO A 112 4.159 -5.454 9.458 1.00 2.10 H new ATOM 0 HD2 PRO A 112 3.561 -2.891 10.051 1.00 1.83 H new ATOM 0 HD3 PRO A 112 5.226 -3.437 10.048 1.00 1.83 H new ATOM 920 N CYS A 113 3.912 -3.433 4.750 1.00 1.00 N ATOM 921 CA CYS A 113 2.990 -3.168 3.655 1.00 1.00 C ATOM 922 C CYS A 113 1.899 -4.232 3.601 1.00 1.17 C ATOM 923 O CYS A 113 0.711 -3.925 3.693 1.00 1.67 O ATOM 924 CB CYS A 113 3.752 -3.115 2.329 1.00 1.05 C ATOM 925 SG CYS A 113 2.777 -2.522 0.926 1.00 2.00 S ATOM 0 H CYS A 113 4.728 -3.988 4.491 1.00 1.00 H new ATOM 0 HA CYS A 113 2.515 -2.202 3.826 1.00 1.00 H new ATOM 0 HB2 CYS A 113 4.621 -2.469 2.450 1.00 1.05 H new ATOM 0 HB3 CYS A 113 4.126 -4.113 2.099 1.00 1.05 H new ATOM 0 HG CYS A 113 3.448 -1.612 0.285 1.00 2.00 H new ATOM 1692 N GLY A 166 -1.184 -1.293 3.753 1.00 1.30 N ATOM 1693 CA GLY A 166 -0.561 -1.354 2.445 1.00 1.24 C ATOM 1694 C GLY A 166 -1.101 -0.301 1.501 1.00 1.03 C ATOM 1695 O GLY A 166 -0.362 0.250 0.683 1.00 1.05 O ATOM 0 HA2 GLY A 166 0.516 -1.225 2.552 1.00 1.24 H new ATOM 0 HA3 GLY A 166 -0.722 -2.342 2.014 1.00 1.24 H new ATOM 1699 N SER A 167 -2.387 -0.006 1.639 1.00 0.98 N ATOM 1700 CA SER A 167 -3.065 0.962 0.793 1.00 0.99 C ATOM 1701 C SER A 167 -2.389 2.330 0.855 1.00 0.78 C ATOM 1702 O SER A 167 -2.417 3.086 -0.110 1.00 0.86 O ATOM 1703 CB SER A 167 -4.518 1.086 1.239 1.00 1.17 C ATOM 1704 OG SER A 167 -5.017 -0.166 1.678 1.00 1.82 O ATOM 0 H SER A 167 -2.989 -0.433 2.343 1.00 0.98 H new ATOM 0 HA SER A 167 -3.016 0.612 -0.238 1.00 0.99 H new ATOM 0 HB2 SER A 167 -4.595 1.816 2.045 1.00 1.17 H new ATOM 0 HB3 SER A 167 -5.126 1.456 0.414 1.00 1.17 H new ATOM 0 HG SER A 167 -5.950 -0.065 1.961 1.00 1.82 H new ATOM 1710 N TRP A 168 -1.777 2.647 1.991 1.00 0.62 N ATOM 1711 CA TRP A 168 -1.127 3.940 2.153 1.00 0.51 C ATOM 1712 C TRP A 168 0.301 3.910 1.612 1.00 0.42 C ATOM 1713 O TRP A 168 0.855 4.941 1.238 1.00 0.43 O ATOM 1714 CB TRP A 168 -1.146 4.379 3.624 1.00 0.56 C ATOM 1715 CG TRP A 168 -0.250 3.589 4.534 1.00 0.55 C ATOM 1716 CD1 TRP A 168 -0.529 2.397 5.142 1.00 0.69 C ATOM 1717 CD2 TRP A 168 1.069 3.955 4.957 1.00 0.49 C ATOM 1718 NE1 TRP A 168 0.540 1.998 5.908 1.00 0.70 N ATOM 1719 CE2 TRP A 168 1.533 2.939 5.810 1.00 0.56 C ATOM 1720 CE3 TRP A 168 1.902 5.045 4.689 1.00 0.49 C ATOM 1721 CZ2 TRP A 168 2.797 2.982 6.399 1.00 0.55 C ATOM 1722 CZ3 TRP A 168 3.153 5.087 5.273 1.00 0.51 C ATOM 1723 CH2 TRP A 168 3.591 4.062 6.119 1.00 0.50 C ATOM 0 H TRP A 168 -1.718 2.034 2.804 1.00 0.62 H new ATOM 0 HA TRP A 168 -1.688 4.672 1.573 1.00 0.51 H new ATOM 0 HB2 TRP A 168 -0.859 5.429 3.678 1.00 0.56 H new ATOM 0 HB3 TRP A 168 -2.168 4.309 3.995 1.00 0.56 H new ATOM 0 HD1 TRP A 168 -1.454 1.849 5.036 1.00 0.69 H new ATOM 0 HE1 TRP A 168 0.587 1.141 6.460 1.00 0.70 H new ATOM 0 HE3 TRP A 168 1.573 5.840 4.037 1.00 0.49 H new ATOM 0 HZ2 TRP A 168 3.137 2.192 7.052 1.00 0.55 H new ATOM 0 HZ3 TRP A 168 3.804 5.925 5.073 1.00 0.51 H new ATOM 0 HH2 TRP A 168 4.575 4.124 6.560 1.00 0.50 H new ATOM 1734 N LEU A 169 0.886 2.721 1.548 1.00 0.41 N ATOM 1735 CA LEU A 169 2.265 2.575 1.101 1.00 0.38 C ATOM 1736 C LEU A 169 2.359 2.458 -0.414 1.00 0.39 C ATOM 1737 O LEU A 169 3.431 2.630 -0.989 1.00 0.41 O ATOM 1738 CB LEU A 169 2.922 1.367 1.768 1.00 0.44 C ATOM 1739 CG LEU A 169 3.500 1.627 3.160 1.00 0.46 C ATOM 1740 CD1 LEU A 169 4.046 0.344 3.754 1.00 0.66 C ATOM 1741 CD2 LEU A 169 4.590 2.686 3.099 1.00 0.55 C ATOM 0 H LEU A 169 0.428 1.845 1.800 1.00 0.41 H new ATOM 0 HA LEU A 169 2.800 3.477 1.397 1.00 0.38 H new ATOM 0 HB2 LEU A 169 2.185 0.567 1.842 1.00 0.44 H new ATOM 0 HB3 LEU A 169 3.722 1.005 1.122 1.00 0.44 H new ATOM 0 HG LEU A 169 2.698 1.994 3.800 1.00 0.46 H new ATOM 0 HD11 LEU A 169 4.454 0.546 4.744 1.00 0.66 H new ATOM 0 HD12 LEU A 169 3.244 -0.390 3.835 1.00 0.66 H new ATOM 0 HD13 LEU A 169 4.834 -0.048 3.111 1.00 0.66 H new ATOM 0 HD21 LEU A 169 4.988 2.856 4.099 1.00 0.55 H new ATOM 0 HD22 LEU A 169 5.391 2.346 2.443 1.00 0.55 H new ATOM 0 HD23 LEU A 169 4.173 3.615 2.711 1.00 0.55 H new ATOM 1753 N LYS A 170 1.233 2.184 -1.064 1.00 0.44 N ATOM 1754 CA LYS A 170 1.211 2.107 -2.520 1.00 0.52 C ATOM 1755 C LYS A 170 1.247 3.505 -3.127 1.00 0.50 C ATOM 1756 O LYS A 170 1.255 3.660 -4.347 1.00 0.61 O ATOM 1757 CB LYS A 170 -0.010 1.312 -3.027 1.00 0.66 C ATOM 1758 CG LYS A 170 -1.375 1.889 -2.656 1.00 0.74 C ATOM 1759 CD LYS A 170 -1.804 3.016 -3.592 1.00 0.83 C ATOM 1760 CE LYS A 170 -3.203 3.517 -3.264 1.00 1.15 C ATOM 1761 NZ LYS A 170 -4.252 2.509 -3.575 1.00 1.48 N ATOM 0 H LYS A 170 0.334 2.013 -0.613 1.00 0.44 H new ATOM 0 HA LYS A 170 2.103 1.569 -2.842 1.00 0.52 H new ATOM 0 HB2 LYS A 170 0.051 1.241 -4.113 1.00 0.66 H new ATOM 0 HB3 LYS A 170 0.053 0.296 -2.637 1.00 0.66 H new ATOM 0 HG2 LYS A 170 -2.121 1.095 -2.682 1.00 0.74 H new ATOM 0 HG3 LYS A 170 -1.343 2.263 -1.633 1.00 0.74 H new ATOM 0 HD2 LYS A 170 -1.095 3.841 -3.518 1.00 0.83 H new ATOM 0 HD3 LYS A 170 -1.776 2.664 -4.623 1.00 0.83 H new ATOM 0 HE2 LYS A 170 -3.255 3.777 -2.207 1.00 1.15 H new ATOM 0 HE3 LYS A 170 -3.401 4.429 -3.827 1.00 1.15 H new ATOM 0 HZ1 LYS A 170 -5.191 2.950 -3.497 1.00 1.48 H new ATOM 0 HZ2 LYS A 170 -4.116 2.153 -4.543 1.00 1.48 H new ATOM 0 HZ3 LYS A 170 -4.184 1.718 -2.903 1.00 1.48 H new ATOM 1775 N TYR A 171 1.255 4.516 -2.266 1.00 0.45 N ATOM 1776 CA TYR A 171 1.273 5.899 -2.711 1.00 0.52 C ATOM 1777 C TYR A 171 2.678 6.365 -3.075 1.00 0.53 C ATOM 1778 O TYR A 171 2.844 7.114 -4.024 1.00 0.68 O ATOM 1779 CB TYR A 171 0.695 6.825 -1.637 1.00 0.56 C ATOM 1780 CG TYR A 171 -0.817 6.884 -1.617 1.00 0.85 C ATOM 1781 CD1 TYR A 171 -1.501 7.841 -2.355 1.00 1.12 C ATOM 1782 CD2 TYR A 171 -1.556 5.993 -0.855 1.00 1.03 C ATOM 1783 CE1 TYR A 171 -2.880 7.904 -2.336 1.00 1.44 C ATOM 1784 CE2 TYR A 171 -2.936 6.050 -0.832 1.00 1.42 C ATOM 1785 CZ TYR A 171 -3.592 7.007 -1.571 1.00 1.58 C ATOM 1786 OH TYR A 171 -4.967 7.065 -1.546 1.00 1.97 O ATOM 0 H TYR A 171 1.249 4.400 -1.253 1.00 0.45 H new ATOM 0 HA TYR A 171 0.653 5.947 -3.607 1.00 0.52 H new ATOM 0 HB2 TYR A 171 1.047 6.494 -0.660 1.00 0.56 H new ATOM 0 HB3 TYR A 171 1.085 7.831 -1.793 1.00 0.56 H new ATOM 0 HD1 TYR A 171 -0.945 8.548 -2.954 1.00 1.12 H new ATOM 0 HD2 TYR A 171 -1.045 5.242 -0.270 1.00 1.03 H new ATOM 0 HE1 TYR A 171 -3.398 8.652 -2.918 1.00 1.44 H new ATOM 0 HE2 TYR A 171 -3.498 5.346 -0.236 1.00 1.42 H new ATOM 0 HH TYR A 171 -5.313 6.361 -0.959 1.00 1.97 H new ATOM 1796 N ILE A 172 3.690 5.921 -2.334 1.00 0.43 N ATOM 1797 CA ILE A 172 5.039 6.442 -2.546 1.00 0.46 C ATOM 1798 C ILE A 172 5.560 6.059 -3.929 1.00 0.56 C ATOM 1799 O ILE A 172 5.305 4.957 -4.423 1.00 0.67 O ATOM 1800 CB ILE A 172 6.053 5.997 -1.463 1.00 0.42 C ATOM 1801 CG1 ILE A 172 5.365 5.230 -0.318 1.00 0.42 C ATOM 1802 CG2 ILE A 172 6.810 7.214 -0.943 1.00 0.57 C ATOM 1803 CD1 ILE A 172 5.921 5.523 1.063 1.00 0.54 C ATOM 0 H ILE A 172 3.607 5.219 -1.599 1.00 0.43 H new ATOM 0 HA ILE A 172 4.951 7.526 -2.471 1.00 0.46 H new ATOM 0 HB ILE A 172 6.764 5.306 -1.916 1.00 0.42 H new ATOM 0 HG12 ILE A 172 4.302 5.470 -0.325 1.00 0.42 H new ATOM 0 HG13 ILE A 172 5.452 4.161 -0.511 1.00 0.42 H new ATOM 0 HG21 ILE A 172 7.523 6.900 -0.181 1.00 0.57 H new ATOM 0 HG22 ILE A 172 7.344 7.689 -1.766 1.00 0.57 H new ATOM 0 HG23 ILE A 172 6.105 7.923 -0.510 1.00 0.57 H new ATOM 0 HD11 ILE A 172 5.377 4.939 1.806 1.00 0.54 H new ATOM 0 HD12 ILE A 172 6.977 5.256 1.094 1.00 0.54 H new ATOM 0 HD13 ILE A 172 5.809 6.585 1.283 1.00 0.54 H new ATOM 1815 N ARG A 173 6.264 6.990 -4.560 1.00 0.71 N ATOM 1816 CA ARG A 173 6.746 6.799 -5.920 1.00 0.92 C ATOM 1817 C ARG A 173 8.257 6.970 -6.005 1.00 0.69 C ATOM 1818 O ARG A 173 8.947 7.023 -4.987 1.00 0.61 O ATOM 1819 CB ARG A 173 6.055 7.781 -6.874 1.00 1.38 C ATOM 1820 CG ARG A 173 4.604 7.440 -7.167 1.00 1.82 C ATOM 1821 CD ARG A 173 4.486 6.115 -7.902 1.00 2.22 C ATOM 1822 NE ARG A 173 3.098 5.753 -8.157 1.00 2.79 N ATOM 1823 CZ ARG A 173 2.379 4.976 -7.354 1.00 3.52 C ATOM 1824 NH1 ARG A 173 2.903 4.522 -6.222 1.00 3.84 N ATOM 1825 NH2 ARG A 173 1.129 4.666 -7.675 1.00 4.34 N ATOM 0 H ARG A 173 6.514 7.889 -4.148 1.00 0.71 H new ATOM 0 HA ARG A 173 6.503 5.779 -6.216 1.00 0.92 H new ATOM 0 HB2 ARG A 173 6.103 8.782 -6.446 1.00 1.38 H new ATOM 0 HB3 ARG A 173 6.608 7.809 -7.813 1.00 1.38 H new ATOM 0 HG2 ARG A 173 4.044 7.392 -6.233 1.00 1.82 H new ATOM 0 HG3 ARG A 173 4.156 8.232 -7.767 1.00 1.82 H new ATOM 0 HD2 ARG A 173 5.024 6.176 -8.848 1.00 2.22 H new ATOM 0 HD3 ARG A 173 4.963 5.331 -7.314 1.00 2.22 H new ATOM 0 HE ARG A 173 2.653 6.117 -9.000 1.00 2.79 H new ATOM 0 HH11 ARG A 173 3.859 4.770 -5.967 1.00 3.84 H new ATOM 0 HH12 ARG A 173 2.349 3.926 -5.607 1.00 3.84 H new ATOM 0 HH21 ARG A 173 0.720 5.024 -8.538 1.00 4.34 H new ATOM 0 HH22 ARG A 173 0.577 4.070 -7.059 1.00 4.34 H new ATOM 1839 N VAL A 174 8.756 7.055 -7.232 1.00 0.70 N ATOM 1840 CA VAL A 174 10.185 7.171 -7.483 1.00 0.63 C ATOM 1841 C VAL A 174 10.702 8.539 -7.033 1.00 0.55 C ATOM 1842 O VAL A 174 9.932 9.496 -6.921 1.00 0.62 O ATOM 1843 CB VAL A 174 10.495 6.966 -8.986 1.00 0.73 C ATOM 1844 CG1 VAL A 174 11.985 6.756 -9.215 1.00 0.98 C ATOM 1845 CG2 VAL A 174 9.699 5.794 -9.547 1.00 1.07 C ATOM 0 H VAL A 174 8.184 7.045 -8.076 1.00 0.70 H new ATOM 0 HA VAL A 174 10.690 6.394 -6.909 1.00 0.63 H new ATOM 0 HB VAL A 174 10.195 7.871 -9.514 1.00 0.73 H new ATOM 0 HG11 VAL A 174 12.173 6.615 -10.279 1.00 0.98 H new ATOM 0 HG12 VAL A 174 12.534 7.629 -8.862 1.00 0.98 H new ATOM 0 HG13 VAL A 174 12.316 5.874 -8.668 1.00 0.98 H new ATOM 0 HG21 VAL A 174 9.933 5.668 -10.604 1.00 1.07 H new ATOM 0 HG22 VAL A 174 9.961 4.884 -9.007 1.00 1.07 H new ATOM 0 HG23 VAL A 174 8.633 5.990 -9.432 1.00 1.07 H new ATOM 1855 N ALA A 175 12.003 8.612 -6.753 1.00 0.53 N ATOM 1856 CA ALA A 175 12.642 9.861 -6.364 1.00 0.57 C ATOM 1857 C ALA A 175 12.406 10.930 -7.417 1.00 0.52 C ATOM 1858 O ALA A 175 12.582 10.691 -8.612 1.00 0.57 O ATOM 1859 CB ALA A 175 14.131 9.652 -6.148 1.00 0.71 C ATOM 0 H ALA A 175 12.636 7.813 -6.790 1.00 0.53 H new ATOM 0 HA ALA A 175 12.199 10.196 -5.426 1.00 0.57 H new ATOM 0 HB1 ALA A 175 14.593 10.596 -5.858 1.00 0.71 H new ATOM 0 HB2 ALA A 175 14.284 8.915 -5.359 1.00 0.71 H new ATOM 0 HB3 ALA A 175 14.586 9.295 -7.072 1.00 0.71 H new ATOM 1865 N CYS A 176 12.016 12.109 -6.958 1.00 0.62 N ATOM 1866 CA CYS A 176 11.635 13.194 -7.845 1.00 0.69 C ATOM 1867 C CYS A 176 12.853 13.775 -8.553 1.00 0.68 C ATOM 1868 O CYS A 176 12.726 14.406 -9.601 1.00 0.84 O ATOM 1869 CB CYS A 176 10.911 14.277 -7.046 1.00 0.85 C ATOM 1870 SG CYS A 176 9.612 13.631 -5.966 1.00 1.88 S ATOM 0 H CYS A 176 11.955 12.339 -5.966 1.00 0.62 H new ATOM 0 HA CYS A 176 10.964 12.802 -8.609 1.00 0.69 H new ATOM 0 HB2 CYS A 176 11.639 14.819 -6.442 1.00 0.85 H new ATOM 0 HB3 CYS A 176 10.473 14.996 -7.738 1.00 0.85 H new ATOM 0 HG CYS A 176 9.197 14.575 -5.174 1.00 1.88 H new ATOM 1876 N SER A 177 14.032 13.551 -7.983 1.00 0.63 N ATOM 1877 CA SER A 177 15.265 14.031 -8.585 1.00 0.71 C ATOM 1878 C SER A 177 16.309 12.919 -8.666 1.00 0.65 C ATOM 1879 O SER A 177 16.244 11.944 -7.914 1.00 0.66 O ATOM 1880 CB SER A 177 15.816 15.219 -7.798 1.00 0.88 C ATOM 1881 OG SER A 177 14.847 16.248 -7.687 1.00 1.63 O ATOM 0 H SER A 177 14.157 13.042 -7.108 1.00 0.63 H new ATOM 0 HA SER A 177 15.038 14.356 -9.600 1.00 0.71 H new ATOM 0 HB2 SER A 177 16.120 14.892 -6.804 1.00 0.88 H new ATOM 0 HB3 SER A 177 16.707 15.606 -8.292 1.00 0.88 H new ATOM 0 HG SER A 177 15.222 16.997 -7.178 1.00 1.63 H new ATOM 1887 N CYS A 178 17.258 13.069 -9.578 1.00 0.71 N ATOM 1888 CA CYS A 178 18.292 12.066 -9.804 1.00 0.76 C ATOM 1889 C CYS A 178 19.118 11.794 -8.547 1.00 0.71 C ATOM 1890 O CYS A 178 19.194 10.658 -8.072 1.00 0.77 O ATOM 1891 CB CYS A 178 19.203 12.537 -10.933 1.00 1.00 C ATOM 1892 SG CYS A 178 19.671 14.282 -10.803 1.00 1.96 S ATOM 0 H CYS A 178 17.334 13.887 -10.182 1.00 0.71 H new ATOM 0 HA CYS A 178 17.802 11.131 -10.075 1.00 0.76 H new ATOM 0 HB2 CYS A 178 20.106 11.926 -10.939 1.00 1.00 H new ATOM 0 HB3 CYS A 178 18.701 12.374 -11.887 1.00 1.00 H new ATOM 0 HG CYS A 178 20.739 14.391 -10.070 1.00 1.96 H new ATOM 1898 N ASP A 179 19.715 12.846 -8.002 1.00 0.76 N ATOM 1899 CA ASP A 179 20.632 12.724 -6.870 1.00 0.88 C ATOM 1900 C ASP A 179 19.889 12.455 -5.568 1.00 0.82 C ATOM 1901 O ASP A 179 20.502 12.285 -4.515 1.00 0.99 O ATOM 1902 CB ASP A 179 21.471 13.996 -6.730 1.00 1.08 C ATOM 1903 CG ASP A 179 22.424 14.197 -7.889 1.00 1.81 C ATOM 1904 OD1 ASP A 179 21.988 14.708 -8.943 1.00 2.40 O ATOM 1905 OD2 ASP A 179 23.616 13.854 -7.750 1.00 2.42 O ATOM 0 H ASP A 179 19.580 13.803 -8.328 1.00 0.76 H new ATOM 0 HA ASP A 179 21.285 11.874 -7.068 1.00 0.88 H new ATOM 0 HB2 ASP A 179 20.808 14.858 -6.657 1.00 1.08 H new ATOM 0 HB3 ASP A 179 22.039 13.951 -5.801 1.00 1.08 H new ATOM 1910 N ASP A 180 18.569 12.403 -5.647 1.00 0.70 N ATOM 1911 CA ASP A 180 17.741 12.193 -4.470 1.00 0.75 C ATOM 1912 C ASP A 180 17.387 10.727 -4.289 1.00 0.60 C ATOM 1913 O ASP A 180 16.431 10.398 -3.585 1.00 0.64 O ATOM 1914 CB ASP A 180 16.471 13.040 -4.530 1.00 0.92 C ATOM 1915 CG ASP A 180 16.694 14.439 -3.997 1.00 1.41 C ATOM 1916 OD1 ASP A 180 16.692 15.398 -4.795 1.00 2.12 O ATOM 1917 OD2 ASP A 180 16.878 14.584 -2.772 1.00 1.55 O ATOM 0 H ASP A 180 18.046 12.504 -6.517 1.00 0.70 H new ATOM 0 HA ASP A 180 18.327 12.508 -3.607 1.00 0.75 H new ATOM 0 HB2 ASP A 180 16.122 13.097 -5.561 1.00 0.92 H new ATOM 0 HB3 ASP A 180 15.684 12.554 -3.953 1.00 0.92 H new ATOM 1922 N GLN A 181 18.129 9.845 -4.956 1.00 0.51 N ATOM 1923 CA GLN A 181 17.934 8.411 -4.774 1.00 0.46 C ATOM 1924 C GLN A 181 18.090 8.050 -3.305 1.00 0.46 C ATOM 1925 O GLN A 181 19.182 8.147 -2.740 1.00 0.56 O ATOM 1926 CB GLN A 181 18.943 7.609 -5.599 1.00 0.56 C ATOM 1927 CG GLN A 181 18.745 7.712 -7.103 1.00 0.62 C ATOM 1928 CD GLN A 181 17.482 7.019 -7.572 1.00 0.70 C ATOM 1929 OE1 GLN A 181 17.491 5.828 -7.879 1.00 1.35 O ATOM 1930 NE2 GLN A 181 16.386 7.759 -7.644 1.00 0.98 N ATOM 0 H GLN A 181 18.862 10.095 -5.620 1.00 0.51 H new ATOM 0 HA GLN A 181 16.928 8.162 -5.113 1.00 0.46 H new ATOM 0 HB2 GLN A 181 19.949 7.950 -5.353 1.00 0.56 H new ATOM 0 HB3 GLN A 181 18.881 6.561 -5.307 1.00 0.56 H new ATOM 0 HG2 GLN A 181 18.707 8.763 -7.390 1.00 0.62 H new ATOM 0 HG3 GLN A 181 19.605 7.275 -7.610 1.00 0.62 H new ATOM 0 HE21 GLN A 181 16.417 8.744 -7.381 1.00 0.98 H new ATOM 0 HE22 GLN A 181 15.510 7.344 -7.963 1.00 0.98 H new ATOM 1939 N ASN A 182 17.002 7.619 -2.701 1.00 0.40 N ATOM 1940 CA ASN A 182 16.993 7.237 -1.311 1.00 0.41 C ATOM 1941 C ASN A 182 15.795 6.336 -1.077 1.00 0.36 C ATOM 1942 O ASN A 182 15.063 6.463 -0.105 1.00 0.42 O ATOM 1943 CB ASN A 182 16.946 8.482 -0.419 1.00 0.49 C ATOM 1944 CG ASN A 182 17.097 8.151 1.045 1.00 0.99 C ATOM 1945 OD1 ASN A 182 18.193 7.912 1.532 1.00 1.68 O ATOM 1946 ND2 ASN A 182 15.993 8.144 1.752 1.00 0.93 N ATOM 0 H ASN A 182 16.098 7.525 -3.165 1.00 0.40 H new ATOM 0 HA ASN A 182 17.904 6.696 -1.056 1.00 0.41 H new ATOM 0 HB2 ASN A 182 17.739 9.168 -0.717 1.00 0.49 H new ATOM 0 HB3 ASN A 182 16.000 9.001 -0.575 1.00 0.49 H new ATOM 0 HD21 ASN A 182 16.027 7.933 2.749 1.00 0.93 H new ATOM 0 HD22 ASN A 182 15.100 8.349 1.305 1.00 0.93 H new ATOM 1953 N LEU A 183 15.601 5.417 -2.000 1.00 0.34 N ATOM 1954 CA LEU A 183 14.446 4.548 -1.957 1.00 0.35 C ATOM 1955 C LEU A 183 14.790 3.141 -2.404 1.00 0.36 C ATOM 1956 O LEU A 183 15.410 2.934 -3.448 1.00 0.39 O ATOM 1957 CB LEU A 183 13.281 5.125 -2.779 1.00 0.39 C ATOM 1958 CG LEU A 183 13.486 5.382 -4.279 1.00 0.46 C ATOM 1959 CD1 LEU A 183 12.213 5.970 -4.847 1.00 0.73 C ATOM 1960 CD2 LEU A 183 14.636 6.334 -4.560 1.00 0.81 C ATOM 0 H LEU A 183 16.228 5.253 -2.788 1.00 0.34 H new ATOM 0 HA LEU A 183 14.122 4.490 -0.918 1.00 0.35 H new ATOM 0 HB2 LEU A 183 12.435 4.445 -2.674 1.00 0.39 H new ATOM 0 HB3 LEU A 183 12.990 6.070 -2.320 1.00 0.39 H new ATOM 0 HG LEU A 183 13.731 4.429 -4.747 1.00 0.46 H new ATOM 0 HD11 LEU A 183 12.343 6.158 -5.913 1.00 0.73 H new ATOM 0 HD12 LEU A 183 11.391 5.269 -4.700 1.00 0.73 H new ATOM 0 HD13 LEU A 183 11.986 6.907 -4.338 1.00 0.73 H new ATOM 0 HD21 LEU A 183 14.734 6.479 -5.636 1.00 0.81 H new ATOM 0 HD22 LEU A 183 14.439 7.293 -4.081 1.00 0.81 H new ATOM 0 HD23 LEU A 183 15.561 5.914 -4.165 1.00 0.81 H new ATOM 1972 N THR A 184 14.410 2.182 -1.578 1.00 0.37 N ATOM 1973 CA THR A 184 14.640 0.780 -1.857 1.00 0.41 C ATOM 1974 C THR A 184 13.547 -0.072 -1.213 1.00 0.41 C ATOM 1975 O THR A 184 13.347 -0.039 0.002 1.00 0.45 O ATOM 1976 CB THR A 184 16.032 0.351 -1.345 1.00 0.45 C ATOM 1977 OG1 THR A 184 17.050 0.993 -2.124 1.00 0.51 O ATOM 1978 CG2 THR A 184 16.217 -1.153 -1.404 1.00 0.49 C ATOM 0 H THR A 184 13.932 2.357 -0.694 1.00 0.37 H new ATOM 0 HA THR A 184 14.609 0.628 -2.936 1.00 0.41 H new ATOM 0 HB THR A 184 16.111 0.655 -0.301 1.00 0.45 H new ATOM 0 HG1 THR A 184 16.634 1.609 -2.763 1.00 0.51 H new ATOM 0 HG21 THR A 184 17.209 -1.412 -1.035 1.00 0.49 H new ATOM 0 HG22 THR A 184 15.462 -1.637 -0.785 1.00 0.49 H new ATOM 0 HG23 THR A 184 16.113 -1.492 -2.435 1.00 0.49 H new ATOM 1986 N MET A 185 12.833 -0.822 -2.031 1.00 0.49 N ATOM 1987 CA MET A 185 11.776 -1.682 -1.534 1.00 0.51 C ATOM 1988 C MET A 185 12.202 -3.133 -1.650 1.00 0.60 C ATOM 1989 O MET A 185 12.460 -3.629 -2.744 1.00 0.90 O ATOM 1990 CB MET A 185 10.482 -1.444 -2.309 1.00 0.77 C ATOM 1991 CG MET A 185 9.292 -2.214 -1.763 1.00 1.01 C ATOM 1992 SD MET A 185 7.798 -2.000 -2.755 1.00 1.35 S ATOM 1993 CE MET A 185 7.599 -0.221 -2.713 1.00 1.03 C ATOM 0 H MET A 185 12.966 -0.853 -3.042 1.00 0.49 H new ATOM 0 HA MET A 185 11.593 -1.447 -0.486 1.00 0.51 H new ATOM 0 HB2 MET A 185 10.251 -0.379 -2.295 1.00 0.77 H new ATOM 0 HB3 MET A 185 10.637 -1.723 -3.351 1.00 0.77 H new ATOM 0 HG2 MET A 185 9.542 -3.274 -1.717 1.00 1.01 H new ATOM 0 HG3 MET A 185 9.093 -1.889 -0.742 1.00 1.01 H new ATOM 0 HE1 MET A 185 6.545 0.024 -2.586 1.00 1.03 H new ATOM 0 HE2 MET A 185 8.170 0.189 -1.880 1.00 1.03 H new ATOM 0 HE3 MET A 185 7.962 0.208 -3.647 1.00 1.03 H new ATOM 2003 N CYS A 186 12.285 -3.806 -0.521 1.00 0.55 N ATOM 2004 CA CYS A 186 12.760 -5.176 -0.489 1.00 0.81 C ATOM 2005 C CYS A 186 11.627 -6.105 -0.068 1.00 0.71 C ATOM 2006 O CYS A 186 10.588 -5.647 0.407 1.00 0.65 O ATOM 2007 CB CYS A 186 13.938 -5.284 0.484 1.00 1.10 C ATOM 2008 SG CYS A 186 14.790 -6.877 0.460 1.00 1.73 S ATOM 0 H CYS A 186 12.029 -3.426 0.390 1.00 0.55 H new ATOM 0 HA CYS A 186 13.097 -5.472 -1.483 1.00 0.81 H new ATOM 0 HB2 CYS A 186 14.657 -4.499 0.252 1.00 1.10 H new ATOM 0 HB3 CYS A 186 13.576 -5.096 1.495 1.00 1.10 H new ATOM 0 HG CYS A 186 15.768 -6.859 1.316 1.00 1.73 H new ATOM 2014 N GLN A 187 11.810 -7.402 -0.253 1.00 0.81 N ATOM 2015 CA GLN A 187 10.823 -8.367 0.199 1.00 0.79 C ATOM 2016 C GLN A 187 11.458 -9.388 1.128 1.00 0.87 C ATOM 2017 O GLN A 187 12.525 -9.931 0.835 1.00 1.01 O ATOM 2018 CB GLN A 187 10.157 -9.090 -0.969 1.00 0.95 C ATOM 2019 CG GLN A 187 9.140 -10.110 -0.492 1.00 1.08 C ATOM 2020 CD GLN A 187 8.531 -10.935 -1.596 1.00 1.47 C ATOM 2021 OE1 GLN A 187 9.138 -11.162 -2.643 1.00 1.93 O ATOM 2022 NE2 GLN A 187 7.332 -11.421 -1.341 1.00 1.60 N ATOM 0 H GLN A 187 12.627 -7.808 -0.710 1.00 0.81 H new ATOM 0 HA GLN A 187 10.057 -7.809 0.738 1.00 0.79 H new ATOM 0 HB2 GLN A 187 9.667 -8.362 -1.615 1.00 0.95 H new ATOM 0 HB3 GLN A 187 10.918 -9.588 -1.570 1.00 0.95 H new ATOM 0 HG2 GLN A 187 9.620 -10.778 0.224 1.00 1.08 H new ATOM 0 HG3 GLN A 187 8.343 -9.591 0.041 1.00 1.08 H new ATOM 0 HE21 GLN A 187 6.871 -11.203 -0.458 1.00 1.60 H new ATOM 0 HE22 GLN A 187 6.866 -12.015 -2.027 1.00 1.60 H new ATOM 2031 N ILE A 188 10.782 -9.658 2.232 1.00 0.82 N ATOM 2032 CA ILE A 188 11.271 -10.593 3.235 1.00 0.92 C ATOM 2033 C ILE A 188 10.101 -11.292 3.906 1.00 0.95 C ATOM 2034 O ILE A 188 9.069 -10.674 4.155 1.00 0.87 O ATOM 2035 CB ILE A 188 12.116 -9.901 4.329 1.00 0.99 C ATOM 2036 CG1 ILE A 188 11.368 -8.702 4.915 1.00 0.96 C ATOM 2037 CG2 ILE A 188 13.464 -9.466 3.782 1.00 1.07 C ATOM 2038 CD1 ILE A 188 12.027 -8.108 6.145 1.00 1.11 C ATOM 0 H ILE A 188 9.881 -9.237 2.459 1.00 0.82 H new ATOM 0 HA ILE A 188 11.906 -11.308 2.712 1.00 0.92 H new ATOM 0 HB ILE A 188 12.288 -10.625 5.125 1.00 0.99 H new ATOM 0 HG12 ILE A 188 11.285 -7.929 4.151 1.00 0.96 H new ATOM 0 HG13 ILE A 188 10.354 -9.009 5.171 1.00 0.96 H new ATOM 0 HG21 ILE A 188 14.038 -8.982 4.572 1.00 1.07 H new ATOM 0 HG22 ILE A 188 14.008 -10.338 3.420 1.00 1.07 H new ATOM 0 HG23 ILE A 188 13.314 -8.765 2.961 1.00 1.07 H new ATOM 0 HD11 ILE A 188 11.438 -7.263 6.501 1.00 1.11 H new ATOM 0 HD12 ILE A 188 12.086 -8.865 6.927 1.00 1.11 H new ATOM 0 HD13 ILE A 188 13.031 -7.769 5.892 1.00 1.11 H new ATOM 2050 N SER A 189 10.259 -12.582 4.179 1.00 1.12 N ATOM 2051 CA SER A 189 9.243 -13.360 4.879 1.00 1.23 C ATOM 2052 C SER A 189 7.890 -13.246 4.167 1.00 1.13 C ATOM 2053 O SER A 189 6.840 -13.122 4.807 1.00 1.15 O ATOM 2054 CB SER A 189 9.139 -12.890 6.337 1.00 1.31 C ATOM 2055 OG SER A 189 8.419 -13.816 7.134 1.00 1.86 O ATOM 0 H SER A 189 11.090 -13.116 3.923 1.00 1.12 H new ATOM 0 HA SER A 189 9.535 -14.410 4.873 1.00 1.23 H new ATOM 0 HB2 SER A 189 10.139 -12.755 6.749 1.00 1.31 H new ATOM 0 HB3 SER A 189 8.646 -11.918 6.372 1.00 1.31 H new ATOM 0 HG SER A 189 7.535 -13.969 6.740 1.00 1.86 H new ATOM 2061 N GLU A 190 7.948 -13.249 2.830 1.00 1.11 N ATOM 2062 CA GLU A 190 6.760 -13.230 1.972 1.00 1.13 C ATOM 2063 C GLU A 190 6.065 -11.855 1.972 1.00 0.96 C ATOM 2064 O GLU A 190 5.106 -11.633 1.233 1.00 1.05 O ATOM 2065 CB GLU A 190 5.796 -14.345 2.411 1.00 1.34 C ATOM 2066 CG GLU A 190 4.472 -14.386 1.667 1.00 1.74 C ATOM 2067 CD GLU A 190 3.521 -15.398 2.258 1.00 2.26 C ATOM 2068 OE1 GLU A 190 3.025 -16.259 1.510 1.00 2.66 O ATOM 2069 OE2 GLU A 190 3.291 -15.357 3.487 1.00 2.83 O ATOM 0 H GLU A 190 8.826 -13.265 2.311 1.00 1.11 H new ATOM 0 HA GLU A 190 7.075 -13.412 0.945 1.00 1.13 H new ATOM 0 HB2 GLU A 190 6.295 -15.306 2.284 1.00 1.34 H new ATOM 0 HB3 GLU A 190 5.593 -14.229 3.476 1.00 1.34 H new ATOM 0 HG2 GLU A 190 4.012 -13.398 1.692 1.00 1.74 H new ATOM 0 HG3 GLU A 190 4.652 -14.627 0.619 1.00 1.74 H new ATOM 2076 N GLN A 191 6.583 -10.904 2.738 1.00 0.81 N ATOM 2077 CA GLN A 191 5.967 -9.587 2.795 1.00 0.71 C ATOM 2078 C GLN A 191 6.915 -8.509 2.289 1.00 0.61 C ATOM 2079 O GLN A 191 8.136 -8.665 2.314 1.00 0.65 O ATOM 2080 CB GLN A 191 5.491 -9.252 4.212 1.00 0.78 C ATOM 2081 CG GLN A 191 6.579 -9.268 5.272 1.00 0.87 C ATOM 2082 CD GLN A 191 6.093 -8.690 6.584 1.00 1.15 C ATOM 2083 OE1 GLN A 191 6.237 -7.495 6.840 1.00 1.75 O ATOM 2084 NE2 GLN A 191 5.499 -9.529 7.418 1.00 1.46 N ATOM 0 H GLN A 191 7.414 -11.017 3.319 1.00 0.81 H new ATOM 0 HA GLN A 191 5.096 -9.613 2.140 1.00 0.71 H new ATOM 0 HB2 GLN A 191 5.029 -8.265 4.201 1.00 0.78 H new ATOM 0 HB3 GLN A 191 4.716 -9.963 4.497 1.00 0.78 H new ATOM 0 HG2 GLN A 191 6.918 -10.292 5.429 1.00 0.87 H new ATOM 0 HG3 GLN A 191 7.438 -8.698 4.920 1.00 0.87 H new ATOM 0 HE21 GLN A 191 5.400 -10.513 7.167 1.00 1.46 H new ATOM 0 HE22 GLN A 191 5.140 -9.192 8.311 1.00 1.46 H new ATOM 2093 N ILE A 192 6.332 -7.424 1.803 1.00 0.56 N ATOM 2094 CA ILE A 192 7.097 -6.302 1.296 1.00 0.50 C ATOM 2095 C ILE A 192 7.566 -5.400 2.429 1.00 0.47 C ATOM 2096 O ILE A 192 6.779 -4.974 3.279 1.00 0.61 O ATOM 2097 CB ILE A 192 6.278 -5.483 0.276 1.00 0.65 C ATOM 2098 CG1 ILE A 192 6.073 -6.296 -1.002 1.00 0.89 C ATOM 2099 CG2 ILE A 192 6.961 -4.162 -0.041 1.00 0.64 C ATOM 2100 CD1 ILE A 192 7.369 -6.700 -1.673 1.00 1.01 C ATOM 0 H ILE A 192 5.321 -7.299 1.750 1.00 0.56 H new ATOM 0 HA ILE A 192 7.973 -6.709 0.791 1.00 0.50 H new ATOM 0 HB ILE A 192 5.306 -5.260 0.717 1.00 0.65 H new ATOM 0 HG12 ILE A 192 5.500 -7.193 -0.765 1.00 0.89 H new ATOM 0 HG13 ILE A 192 5.476 -5.712 -1.703 1.00 0.89 H new ATOM 0 HG21 ILE A 192 6.362 -3.606 -0.762 1.00 0.64 H new ATOM 0 HG22 ILE A 192 7.064 -3.577 0.873 1.00 0.64 H new ATOM 0 HG23 ILE A 192 7.948 -4.354 -0.461 1.00 0.64 H new ATOM 0 HD11 ILE A 192 7.149 -7.274 -2.573 1.00 1.01 H new ATOM 0 HD12 ILE A 192 7.934 -5.807 -1.941 1.00 1.01 H new ATOM 0 HD13 ILE A 192 7.958 -7.310 -0.989 1.00 1.01 H new ATOM 2112 N TYR A 193 8.856 -5.117 2.413 1.00 0.48 N ATOM 2113 CA TYR A 193 9.503 -4.323 3.436 1.00 0.68 C ATOM 2114 C TYR A 193 10.018 -3.021 2.829 1.00 0.50 C ATOM 2115 O TYR A 193 10.684 -3.032 1.793 1.00 0.47 O ATOM 2116 CB TYR A 193 10.656 -5.139 4.030 1.00 1.05 C ATOM 2117 CG TYR A 193 11.414 -4.465 5.152 1.00 1.54 C ATOM 2118 CD1 TYR A 193 12.560 -3.722 4.892 1.00 2.35 C ATOM 2119 CD2 TYR A 193 10.997 -4.589 6.470 1.00 1.86 C ATOM 2120 CE1 TYR A 193 13.264 -3.119 5.914 1.00 3.17 C ATOM 2121 CE2 TYR A 193 11.696 -3.988 7.497 1.00 2.49 C ATOM 2122 CZ TYR A 193 12.830 -3.253 7.214 1.00 3.09 C ATOM 2123 OH TYR A 193 13.531 -2.648 8.231 1.00 3.94 O ATOM 0 H TYR A 193 9.489 -5.437 1.680 1.00 0.48 H new ATOM 0 HA TYR A 193 8.795 -4.072 4.226 1.00 0.68 H new ATOM 0 HB2 TYR A 193 10.258 -6.084 4.399 1.00 1.05 H new ATOM 0 HB3 TYR A 193 11.358 -5.379 3.232 1.00 1.05 H new ATOM 0 HD1 TYR A 193 12.905 -3.615 3.874 1.00 2.35 H new ATOM 0 HD2 TYR A 193 10.112 -5.165 6.695 1.00 1.86 H new ATOM 0 HE1 TYR A 193 14.152 -2.544 5.695 1.00 3.17 H new ATOM 0 HE2 TYR A 193 11.358 -4.092 8.517 1.00 2.49 H new ATOM 0 HH TYR A 193 13.094 -2.838 9.087 1.00 3.94 H new ATOM 2133 N TYR A 194 9.720 -1.902 3.471 1.00 0.49 N ATOM 2134 CA TYR A 194 10.179 -0.614 2.976 1.00 0.41 C ATOM 2135 C TYR A 194 11.415 -0.198 3.745 1.00 0.40 C ATOM 2136 O TYR A 194 11.348 0.096 4.938 1.00 0.49 O ATOM 2137 CB TYR A 194 9.082 0.453 3.124 1.00 0.56 C ATOM 2138 CG TYR A 194 7.949 0.326 2.121 1.00 0.59 C ATOM 2139 CD1 TYR A 194 7.276 -0.876 1.953 1.00 0.80 C ATOM 2140 CD2 TYR A 194 7.543 1.414 1.349 1.00 0.78 C ATOM 2141 CE1 TYR A 194 6.241 -0.997 1.050 1.00 0.89 C ATOM 2142 CE2 TYR A 194 6.506 1.296 0.442 1.00 0.85 C ATOM 2143 CZ TYR A 194 5.859 0.088 0.297 1.00 0.80 C ATOM 2144 OH TYR A 194 4.821 -0.034 -0.594 1.00 0.92 O ATOM 0 H TYR A 194 9.168 -1.859 4.328 1.00 0.49 H new ATOM 0 HA TYR A 194 10.418 -0.707 1.917 1.00 0.41 H new ATOM 0 HB2 TYR A 194 8.669 0.395 4.131 1.00 0.56 H new ATOM 0 HB3 TYR A 194 9.534 1.439 3.021 1.00 0.56 H new ATOM 0 HD1 TYR A 194 7.569 -1.733 2.541 1.00 0.80 H new ATOM 0 HD2 TYR A 194 8.046 2.363 1.461 1.00 0.78 H new ATOM 0 HE1 TYR A 194 5.731 -1.942 0.934 1.00 0.89 H new ATOM 0 HE2 TYR A 194 6.204 2.147 -0.150 1.00 0.85 H new ATOM 0 HH TYR A 194 4.476 0.855 -0.818 1.00 0.92 H new ATOM 2154 N LYS A 195 12.540 -0.171 3.051 1.00 0.37 N ATOM 2155 CA LYS A 195 13.807 0.163 3.670 1.00 0.38 C ATOM 2156 C LYS A 195 14.293 1.491 3.137 1.00 0.39 C ATOM 2157 O LYS A 195 14.499 1.651 1.932 1.00 0.43 O ATOM 2158 CB LYS A 195 14.845 -0.939 3.400 1.00 0.40 C ATOM 2159 CG LYS A 195 16.196 -0.706 4.077 1.00 0.43 C ATOM 2160 CD LYS A 195 17.122 0.182 3.253 1.00 0.46 C ATOM 2161 CE LYS A 195 17.601 -0.500 1.981 1.00 0.53 C ATOM 2162 NZ LYS A 195 18.562 -1.599 2.262 1.00 1.11 N ATOM 0 H LYS A 195 12.599 -0.378 2.054 1.00 0.37 H new ATOM 0 HA LYS A 195 13.669 0.240 4.748 1.00 0.38 H new ATOM 0 HB2 LYS A 195 14.442 -1.893 3.738 1.00 0.40 H new ATOM 0 HB3 LYS A 195 15.000 -1.021 2.324 1.00 0.40 H new ATOM 0 HG2 LYS A 195 16.034 -0.249 5.053 1.00 0.43 H new ATOM 0 HG3 LYS A 195 16.681 -1.667 4.251 1.00 0.43 H new ATOM 0 HD2 LYS A 195 16.601 1.103 2.993 1.00 0.46 H new ATOM 0 HD3 LYS A 195 17.984 0.463 3.858 1.00 0.46 H new ATOM 0 HE2 LYS A 195 16.743 -0.899 1.439 1.00 0.53 H new ATOM 0 HE3 LYS A 195 18.074 0.237 1.331 1.00 0.53 H new ATOM 0 HZ1 LYS A 195 18.965 -1.945 1.368 1.00 1.11 H new ATOM 0 HZ2 LYS A 195 19.326 -1.244 2.872 1.00 1.11 H new ATOM 0 HZ3 LYS A 195 18.068 -2.377 2.743 1.00 1.11 H new ATOM 2176 N VAL A 196 14.467 2.446 4.022 1.00 0.41 N ATOM 2177 CA VAL A 196 15.002 3.719 3.619 1.00 0.45 C ATOM 2178 C VAL A 196 16.501 3.723 3.833 1.00 0.43 C ATOM 2179 O VAL A 196 17.031 3.028 4.702 1.00 0.41 O ATOM 2180 CB VAL A 196 14.362 4.886 4.368 1.00 0.51 C ATOM 2181 CG1 VAL A 196 14.464 6.135 3.524 1.00 0.70 C ATOM 2182 CG2 VAL A 196 12.913 4.582 4.729 1.00 0.68 C ATOM 0 H VAL A 196 14.247 2.364 5.015 1.00 0.41 H new ATOM 0 HA VAL A 196 14.771 3.856 2.562 1.00 0.45 H new ATOM 0 HB VAL A 196 14.897 5.044 5.304 1.00 0.51 H new ATOM 0 HG11 VAL A 196 14.008 6.971 4.055 1.00 0.70 H new ATOM 0 HG12 VAL A 196 15.513 6.358 3.329 1.00 0.70 H new ATOM 0 HG13 VAL A 196 13.944 5.979 2.579 1.00 0.70 H new ATOM 0 HG21 VAL A 196 12.485 5.431 5.261 1.00 0.68 H new ATOM 0 HG22 VAL A 196 12.342 4.399 3.819 1.00 0.68 H new ATOM 0 HG23 VAL A 196 12.874 3.698 5.366 1.00 0.68 H new ATOM 2192 N ILE A 197 17.170 4.498 3.012 1.00 0.47 N ATOM 2193 CA ILE A 197 18.614 4.408 2.873 1.00 0.45 C ATOM 2194 C ILE A 197 19.305 5.290 3.893 1.00 0.45 C ATOM 2195 O ILE A 197 20.146 4.826 4.663 1.00 0.49 O ATOM 2196 CB ILE A 197 19.075 4.832 1.464 1.00 0.47 C ATOM 2197 CG1 ILE A 197 17.988 4.557 0.429 1.00 0.60 C ATOM 2198 CG2 ILE A 197 20.348 4.101 1.082 1.00 0.47 C ATOM 2199 CD1 ILE A 197 17.530 3.117 0.374 1.00 0.62 C ATOM 0 H ILE A 197 16.736 5.207 2.422 1.00 0.47 H new ATOM 0 HA ILE A 197 18.885 3.365 3.038 1.00 0.45 H new ATOM 0 HB ILE A 197 19.272 5.904 1.483 1.00 0.47 H new ATOM 0 HG12 ILE A 197 17.128 5.191 0.645 1.00 0.60 H new ATOM 0 HG13 ILE A 197 18.358 4.846 -0.555 1.00 0.60 H new ATOM 0 HG21 ILE A 197 20.660 4.411 0.085 1.00 0.47 H new ATOM 0 HG22 ILE A 197 21.134 4.339 1.799 1.00 0.47 H new ATOM 0 HG23 ILE A 197 20.166 3.026 1.087 1.00 0.47 H new ATOM 0 HD11 ILE A 197 16.757 3.010 -0.387 1.00 0.62 H new ATOM 0 HD12 ILE A 197 18.376 2.476 0.126 1.00 0.62 H new ATOM 0 HD13 ILE A 197 17.127 2.826 1.344 1.00 0.62 H new ATOM 2211 N LYS A 198 18.953 6.564 3.882 1.00 0.47 N ATOM 2212 CA LYS A 198 19.504 7.510 4.844 1.00 0.49 C ATOM 2213 C LYS A 198 18.481 8.562 5.260 1.00 0.48 C ATOM 2214 O LYS A 198 17.341 8.543 4.792 1.00 0.49 O ATOM 2215 CB LYS A 198 20.805 8.162 4.330 1.00 0.59 C ATOM 2216 CG LYS A 198 20.840 8.487 2.838 1.00 0.75 C ATOM 2217 CD LYS A 198 20.677 9.978 2.555 1.00 0.94 C ATOM 2218 CE LYS A 198 19.233 10.426 2.683 1.00 0.98 C ATOM 2219 NZ LYS A 198 19.057 11.861 2.348 1.00 1.38 N ATOM 0 H LYS A 198 18.290 6.969 3.221 1.00 0.47 H new ATOM 0 HA LYS A 198 19.759 6.937 5.736 1.00 0.49 H new ATOM 0 HB2 LYS A 198 20.972 9.084 4.888 1.00 0.59 H new ATOM 0 HB3 LYS A 198 21.637 7.496 4.557 1.00 0.59 H new ATOM 0 HG2 LYS A 198 21.785 8.143 2.418 1.00 0.75 H new ATOM 0 HG3 LYS A 198 20.047 7.937 2.332 1.00 0.75 H new ATOM 0 HD2 LYS A 198 21.296 10.548 3.247 1.00 0.94 H new ATOM 0 HD3 LYS A 198 21.037 10.198 1.550 1.00 0.94 H new ATOM 0 HE2 LYS A 198 18.608 9.822 2.025 1.00 0.98 H new ATOM 0 HE3 LYS A 198 18.889 10.248 3.702 1.00 0.98 H new ATOM 0 HZ1 LYS A 198 18.448 12.312 3.060 1.00 1.38 H new ATOM 0 HZ2 LYS A 198 19.984 12.331 2.338 1.00 1.38 H new ATOM 0 HZ3 LYS A 198 18.615 11.947 1.410 1.00 1.38 H new ATOM 2233 N ASP A 199 18.924 9.477 6.122 1.00 0.52 N ATOM 2234 CA ASP A 199 18.057 10.460 6.783 1.00 0.56 C ATOM 2235 C ASP A 199 17.092 11.170 5.831 1.00 0.55 C ATOM 2236 O ASP A 199 17.491 11.717 4.802 1.00 0.67 O ATOM 2237 CB ASP A 199 18.916 11.503 7.506 1.00 0.67 C ATOM 2238 CG ASP A 199 19.536 10.981 8.789 1.00 1.56 C ATOM 2239 OD1 ASP A 199 20.324 10.010 8.735 1.00 2.23 O ATOM 2240 OD2 ASP A 199 19.261 11.563 9.863 1.00 2.13 O ATOM 0 H ASP A 199 19.906 9.560 6.386 1.00 0.52 H new ATOM 0 HA ASP A 199 17.444 9.901 7.490 1.00 0.56 H new ATOM 0 HB2 ASP A 199 19.709 11.838 6.837 1.00 0.67 H new ATOM 0 HB3 ASP A 199 18.302 12.374 7.735 1.00 0.67 H new ATOM 2245 N ILE A 200 15.817 11.163 6.204 1.00 0.52 N ATOM 2246 CA ILE A 200 14.779 11.852 5.446 1.00 0.55 C ATOM 2247 C ILE A 200 14.527 13.242 6.024 1.00 0.54 C ATOM 2248 O ILE A 200 14.475 13.415 7.246 1.00 0.57 O ATOM 2249 CB ILE A 200 13.442 11.069 5.460 1.00 0.63 C ATOM 2250 CG1 ILE A 200 13.577 9.726 4.736 1.00 0.69 C ATOM 2251 CG2 ILE A 200 12.321 11.895 4.840 1.00 0.80 C ATOM 2252 CD1 ILE A 200 13.951 9.855 3.272 1.00 0.88 C ATOM 0 H ILE A 200 15.475 10.682 7.036 1.00 0.52 H new ATOM 0 HA ILE A 200 15.137 11.928 4.419 1.00 0.55 H new ATOM 0 HB ILE A 200 13.189 10.869 6.501 1.00 0.63 H new ATOM 0 HG12 ILE A 200 14.332 9.125 5.243 1.00 0.69 H new ATOM 0 HG13 ILE A 200 12.634 9.185 4.814 1.00 0.69 H new ATOM 0 HG21 ILE A 200 11.393 11.323 4.862 1.00 0.80 H new ATOM 0 HG22 ILE A 200 12.192 12.817 5.407 1.00 0.80 H new ATOM 0 HG23 ILE A 200 12.575 12.136 3.808 1.00 0.80 H new ATOM 0 HD11 ILE A 200 14.028 8.863 2.827 1.00 0.88 H new ATOM 0 HD12 ILE A 200 13.185 10.428 2.750 1.00 0.88 H new ATOM 0 HD13 ILE A 200 14.909 10.367 3.185 1.00 0.88 H new ATOM 2264 N GLU A 201 14.392 14.227 5.147 1.00 0.55 N ATOM 2265 CA GLU A 201 13.973 15.560 5.554 1.00 0.57 C ATOM 2266 C GLU A 201 12.451 15.652 5.503 1.00 0.49 C ATOM 2267 O GLU A 201 11.848 15.404 4.457 1.00 0.55 O ATOM 2268 CB GLU A 201 14.589 16.624 4.647 1.00 0.68 C ATOM 2269 CG GLU A 201 16.104 16.684 4.714 1.00 0.81 C ATOM 2270 CD GLU A 201 16.664 17.875 3.969 1.00 1.29 C ATOM 2271 OE1 GLU A 201 16.851 18.934 4.601 1.00 1.51 O ATOM 2272 OE2 GLU A 201 16.912 17.762 2.751 1.00 2.06 O ATOM 0 H GLU A 201 14.567 14.127 4.147 1.00 0.55 H new ATOM 0 HA GLU A 201 14.317 15.739 6.573 1.00 0.57 H new ATOM 0 HB2 GLU A 201 14.288 16.429 3.618 1.00 0.68 H new ATOM 0 HB3 GLU A 201 14.184 17.599 4.919 1.00 0.68 H new ATOM 0 HG2 GLU A 201 16.418 16.730 5.757 1.00 0.81 H new ATOM 0 HG3 GLU A 201 16.521 15.768 4.296 1.00 0.81 H new ATOM 2279 N PRO A 202 11.817 16.007 6.635 1.00 0.43 N ATOM 2280 CA PRO A 202 10.357 16.060 6.756 1.00 0.43 C ATOM 2281 C PRO A 202 9.700 16.788 5.593 1.00 0.45 C ATOM 2282 O PRO A 202 10.011 17.949 5.314 1.00 0.51 O ATOM 2283 CB PRO A 202 10.133 16.830 8.055 1.00 0.49 C ATOM 2284 CG PRO A 202 11.355 16.577 8.866 1.00 0.49 C ATOM 2285 CD PRO A 202 12.486 16.400 7.888 1.00 0.45 C ATOM 0 HA PRO A 202 9.917 15.063 6.752 1.00 0.43 H new ATOM 0 HB2 PRO A 202 9.999 17.895 7.865 1.00 0.49 H new ATOM 0 HB3 PRO A 202 9.238 16.483 8.571 1.00 0.49 H new ATOM 0 HG2 PRO A 202 11.552 17.410 9.541 1.00 0.49 H new ATOM 0 HG3 PRO A 202 11.233 15.687 9.484 1.00 0.49 H new ATOM 0 HD2 PRO A 202 13.055 17.322 7.765 1.00 0.45 H new ATOM 0 HD3 PRO A 202 13.187 15.635 8.223 1.00 0.45 H new ATOM 2293 N GLY A 203 8.794 16.099 4.922 1.00 0.44 N ATOM 2294 CA GLY A 203 8.110 16.678 3.792 1.00 0.52 C ATOM 2295 C GLY A 203 8.291 15.876 2.522 1.00 0.54 C ATOM 2296 O GLY A 203 7.513 16.024 1.583 1.00 0.70 O ATOM 0 H GLY A 203 8.519 15.142 5.143 1.00 0.44 H new ATOM 0 HA2 GLY A 203 7.047 16.756 4.018 1.00 0.52 H new ATOM 0 HA3 GLY A 203 8.477 17.692 3.631 1.00 0.52 H new ATOM 2300 N GLU A 204 9.304 15.018 2.477 1.00 0.48 N ATOM 2301 CA GLU A 204 9.558 14.231 1.277 1.00 0.51 C ATOM 2302 C GLU A 204 9.784 12.759 1.600 1.00 0.39 C ATOM 2303 O GLU A 204 10.691 12.411 2.343 1.00 0.40 O ATOM 2304 CB GLU A 204 10.774 14.789 0.531 1.00 0.65 C ATOM 2305 CG GLU A 204 12.035 14.866 1.381 1.00 0.71 C ATOM 2306 CD GLU A 204 13.175 15.558 0.670 1.00 0.99 C ATOM 2307 OE1 GLU A 204 14.069 14.864 0.135 1.00 1.16 O ATOM 2308 OE2 GLU A 204 13.181 16.804 0.638 1.00 1.27 O ATOM 0 H GLU A 204 9.954 14.851 3.245 1.00 0.48 H new ATOM 0 HA GLU A 204 8.673 14.302 0.645 1.00 0.51 H new ATOM 0 HB2 GLU A 204 10.972 14.164 -0.340 1.00 0.65 H new ATOM 0 HB3 GLU A 204 10.535 15.786 0.161 1.00 0.65 H new ATOM 0 HG2 GLU A 204 11.813 15.398 2.306 1.00 0.71 H new ATOM 0 HG3 GLU A 204 12.343 13.858 1.659 1.00 0.71 H new ATOM 2315 N GLU A 205 8.952 11.906 1.026 1.00 0.47 N ATOM 2316 CA GLU A 205 9.153 10.470 1.107 1.00 0.51 C ATOM 2317 C GLU A 205 9.546 9.926 -0.248 1.00 0.43 C ATOM 2318 O GLU A 205 8.783 10.042 -1.210 1.00 0.49 O ATOM 2319 CB GLU A 205 7.890 9.754 1.579 1.00 0.80 C ATOM 2320 CG GLU A 205 7.592 9.937 3.054 1.00 1.49 C ATOM 2321 CD GLU A 205 8.666 9.345 3.939 1.00 2.41 C ATOM 2322 OE1 GLU A 205 9.643 10.057 4.236 1.00 2.84 O ATOM 2323 OE2 GLU A 205 8.527 8.172 4.339 1.00 2.92 O ATOM 0 H GLU A 205 8.127 12.186 0.496 1.00 0.47 H new ATOM 0 HA GLU A 205 9.948 10.290 1.831 1.00 0.51 H new ATOM 0 HB2 GLU A 205 7.041 10.117 1.000 1.00 0.80 H new ATOM 0 HB3 GLU A 205 7.988 8.689 1.368 1.00 0.80 H new ATOM 0 HG2 GLU A 205 7.491 11.000 3.272 1.00 1.49 H new ATOM 0 HG3 GLU A 205 6.635 9.471 3.289 1.00 1.49 H new ATOM 2330 N LEU A 206 10.726 9.357 -0.344 1.00 0.37 N ATOM 2331 CA LEU A 206 11.097 8.653 -1.550 1.00 0.36 C ATOM 2332 C LEU A 206 11.203 7.178 -1.228 1.00 0.36 C ATOM 2333 O LEU A 206 12.193 6.742 -0.654 1.00 0.39 O ATOM 2334 CB LEU A 206 12.435 9.158 -2.121 1.00 0.41 C ATOM 2335 CG LEU A 206 12.506 10.649 -2.486 1.00 0.44 C ATOM 2336 CD1 LEU A 206 11.231 11.103 -3.185 1.00 0.90 C ATOM 2337 CD2 LEU A 206 12.784 11.494 -1.251 1.00 0.84 C ATOM 0 H LEU A 206 11.437 9.367 0.388 1.00 0.37 H new ATOM 0 HA LEU A 206 10.334 8.831 -2.307 1.00 0.36 H new ATOM 0 HB2 LEU A 206 13.218 8.948 -1.392 1.00 0.41 H new ATOM 0 HB3 LEU A 206 12.666 8.577 -3.014 1.00 0.41 H new ATOM 0 HG LEU A 206 13.333 10.787 -3.183 1.00 0.44 H new ATOM 0 HD11 LEU A 206 11.309 12.162 -3.432 1.00 0.90 H new ATOM 0 HD12 LEU A 206 11.092 10.526 -4.100 1.00 0.90 H new ATOM 0 HD13 LEU A 206 10.378 10.946 -2.524 1.00 0.90 H new ATOM 0 HD21 LEU A 206 12.830 12.546 -1.533 1.00 0.84 H new ATOM 0 HD22 LEU A 206 11.986 11.348 -0.523 1.00 0.84 H new ATOM 0 HD23 LEU A 206 13.735 11.194 -0.812 1.00 0.84 H new ATOM 2349 N LEU A 207 10.170 6.424 -1.581 1.00 0.37 N ATOM 2350 CA LEU A 207 10.146 4.980 -1.367 1.00 0.40 C ATOM 2351 C LEU A 207 9.437 4.294 -2.532 1.00 0.43 C ATOM 2352 O LEU A 207 8.239 4.477 -2.721 1.00 0.53 O ATOM 2353 CB LEU A 207 9.426 4.618 -0.050 1.00 0.43 C ATOM 2354 CG LEU A 207 10.220 4.821 1.261 1.00 0.45 C ATOM 2355 CD1 LEU A 207 11.661 4.342 1.121 1.00 0.49 C ATOM 2356 CD2 LEU A 207 10.169 6.273 1.718 1.00 0.44 C ATOM 0 H LEU A 207 9.328 6.793 -2.022 1.00 0.37 H new ATOM 0 HA LEU A 207 11.178 4.635 -1.303 1.00 0.40 H new ATOM 0 HB2 LEU A 207 8.513 5.210 0.011 1.00 0.43 H new ATOM 0 HB3 LEU A 207 9.124 3.572 -0.105 1.00 0.43 H new ATOM 0 HG LEU A 207 9.743 4.212 2.028 1.00 0.45 H new ATOM 0 HD11 LEU A 207 12.190 4.500 2.061 1.00 0.49 H new ATOM 0 HD12 LEU A 207 11.669 3.280 0.874 1.00 0.49 H new ATOM 0 HD13 LEU A 207 12.155 4.903 0.328 1.00 0.49 H new ATOM 0 HD21 LEU A 207 10.736 6.384 2.642 1.00 0.44 H new ATOM 0 HD22 LEU A 207 10.601 6.912 0.948 1.00 0.44 H new ATOM 0 HD23 LEU A 207 9.133 6.564 1.891 1.00 0.44 H new ATOM 2368 N VAL A 208 10.164 3.509 -3.316 1.00 0.43 N ATOM 2369 CA VAL A 208 9.551 2.773 -4.408 1.00 0.50 C ATOM 2370 C VAL A 208 10.340 1.505 -4.698 1.00 0.57 C ATOM 2371 O VAL A 208 11.507 1.385 -4.316 1.00 0.59 O ATOM 2372 CB VAL A 208 9.462 3.623 -5.698 1.00 0.48 C ATOM 2373 CG1 VAL A 208 10.760 3.552 -6.486 1.00 0.91 C ATOM 2374 CG2 VAL A 208 8.281 3.189 -6.555 1.00 0.88 C ATOM 0 H VAL A 208 11.169 3.368 -3.216 1.00 0.43 H new ATOM 0 HA VAL A 208 8.538 2.518 -4.096 1.00 0.50 H new ATOM 0 HB VAL A 208 9.302 4.661 -5.406 1.00 0.48 H new ATOM 0 HG11 VAL A 208 10.672 4.158 -7.388 1.00 0.91 H new ATOM 0 HG12 VAL A 208 11.579 3.930 -5.874 1.00 0.91 H new ATOM 0 HG13 VAL A 208 10.962 2.517 -6.762 1.00 0.91 H new ATOM 0 HG21 VAL A 208 8.240 3.802 -7.456 1.00 0.88 H new ATOM 0 HG22 VAL A 208 8.399 2.142 -6.833 1.00 0.88 H new ATOM 0 HG23 VAL A 208 7.357 3.312 -5.990 1.00 0.88 H new ATOM 2384 N HIS A 209 9.687 0.563 -5.348 1.00 0.69 N ATOM 2385 CA HIS A 209 10.348 -0.616 -5.851 1.00 0.82 C ATOM 2386 C HIS A 209 10.631 -0.393 -7.317 1.00 0.94 C ATOM 2387 O HIS A 209 9.705 -0.286 -8.125 1.00 1.09 O ATOM 2388 CB HIS A 209 9.463 -1.852 -5.671 1.00 1.02 C ATOM 2389 CG HIS A 209 10.020 -3.109 -6.269 1.00 1.20 C ATOM 2390 ND1 HIS A 209 9.533 -3.608 -7.451 1.00 1.42 N ATOM 2391 CD2 HIS A 209 10.996 -3.931 -5.814 1.00 1.41 C ATOM 2392 CE1 HIS A 209 10.213 -4.711 -7.691 1.00 1.54 C ATOM 2393 NE2 HIS A 209 11.116 -4.950 -6.728 1.00 1.55 N ATOM 0 H HIS A 209 8.686 0.596 -5.540 1.00 0.69 H new ATOM 0 HA HIS A 209 11.273 -0.788 -5.301 1.00 0.82 H new ATOM 0 HB2 HIS A 209 9.299 -2.013 -4.606 1.00 1.02 H new ATOM 0 HB3 HIS A 209 8.489 -1.653 -6.117 1.00 1.02 H new ATOM 0 HD2 HIS A 209 11.570 -3.809 -4.907 1.00 1.41 H new ATOM 0 HE1 HIS A 209 10.062 -5.343 -8.554 1.00 1.54 H new ATOM 0 HE2 HIS A 209 11.765 -5.735 -6.683 1.00 1.55 H new ATOM 2401 N VAL A 210 11.894 -0.255 -7.654 1.00 1.14 N ATOM 2402 CA VAL A 210 12.270 -0.139 -9.039 1.00 1.45 C ATOM 2403 C VAL A 210 11.982 -1.457 -9.750 1.00 1.58 C ATOM 2404 O VAL A 210 12.619 -2.479 -9.474 1.00 1.82 O ATOM 2405 CB VAL A 210 13.747 0.281 -9.205 1.00 1.92 C ATOM 2406 CG1 VAL A 210 13.944 1.705 -8.712 1.00 2.56 C ATOM 2407 CG2 VAL A 210 14.692 -0.661 -8.471 1.00 2.44 C ATOM 0 H VAL A 210 12.670 -0.221 -6.992 1.00 1.14 H new ATOM 0 HA VAL A 210 11.675 0.652 -9.495 1.00 1.45 H new ATOM 0 HB VAL A 210 13.987 0.227 -10.267 1.00 1.92 H new ATOM 0 HG11 VAL A 210 14.989 1.991 -8.834 1.00 2.56 H new ATOM 0 HG12 VAL A 210 13.313 2.381 -9.290 1.00 2.56 H new ATOM 0 HG13 VAL A 210 13.671 1.766 -7.658 1.00 2.56 H new ATOM 0 HG21 VAL A 210 15.720 -0.329 -8.614 1.00 2.44 H new ATOM 0 HG22 VAL A 210 14.455 -0.659 -7.407 1.00 2.44 H new ATOM 0 HG23 VAL A 210 14.578 -1.671 -8.866 1.00 2.44 H new