USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 844 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 Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 70:sc= 0.41 USER MOD Single : A 37 HIS : no HD1:sc= -1.56 K(o=-1.6,f=-2.3) USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 23 SER OG : rot 180:sc= 0 USER MOD Single : B 31 SER OG : rot 70:sc= 0.411 USER MOD Single : B 37 HIS : no HD1:sc= -1.52 K(o=-1.5,f=-2.3) USER MOD Single : C 22 SER OG : rot 180:sc= 0 USER MOD Single : C 23 SER OG : rot 180:sc= 0 USER MOD Single : C 31 SER OG : rot 68:sc= 0.415 USER MOD Single : C 37 HIS : no HD1:sc= -1.53 K(o=-1.5,f=-2.3) USER MOD Single : D 22 SER OG : rot 180:sc= 0 USER MOD Single : D 23 SER OG : rot 180:sc= 0 USER MOD Single : D 31 SER OG : rot 69:sc= 0.414 USER MOD Single : D 37 HIS : no HD1:sc= -1.55 K(o=-1.6,f=-2.3) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 22 0.608 10.412 18.988 1.00 99.99 N ATOM 2 CA SER A 22 1.253 10.116 17.676 1.00 99.99 C ATOM 3 C SER A 22 1.594 8.656 17.532 1.00 99.99 C ATOM 4 O SER A 22 1.451 7.869 18.469 1.00 99.99 O ATOM 5 CB SER A 22 2.512 11.011 17.446 1.00 99.99 C ATOM 6 OG SER A 22 3.546 10.784 18.402 1.00 99.99 O ATOM 0 HA SER A 22 0.524 10.356 16.902 1.00 99.99 H new ATOM 0 HB2 SER A 22 2.904 10.825 16.446 1.00 99.99 H new ATOM 0 HB3 SER A 22 2.216 12.059 17.483 1.00 99.99 H new ATOM 0 HG SER A 22 4.307 11.370 18.206 1.00 99.99 H new ATOM 11 N SER A 23 2.065 8.272 16.322 1.00 99.99 N ATOM 12 CA SER A 23 2.542 6.942 16.027 1.00 99.99 C ATOM 13 C SER A 23 3.965 7.113 15.559 1.00 99.99 C ATOM 14 O SER A 23 4.560 8.174 15.748 1.00 99.99 O ATOM 15 CB SER A 23 1.685 6.222 14.957 1.00 99.99 C ATOM 16 OG SER A 23 0.357 6.043 15.429 1.00 99.99 O ATOM 0 H SER A 23 2.116 8.905 15.524 1.00 99.99 H new ATOM 0 HA SER A 23 2.475 6.309 16.912 1.00 99.99 H new ATOM 0 HB2 SER A 23 1.676 6.805 14.036 1.00 99.99 H new ATOM 0 HB3 SER A 23 2.127 5.255 14.718 1.00 99.99 H new ATOM 0 HG SER A 23 -0.175 5.588 14.743 1.00 99.99 H new ATOM 22 N ASP A 24 4.560 6.051 14.958 1.00 99.99 N ATOM 23 CA ASP A 24 5.963 6.013 14.586 1.00 99.99 C ATOM 24 C ASP A 24 6.101 6.540 13.174 1.00 99.99 C ATOM 25 O ASP A 24 5.150 6.407 12.411 1.00 99.99 O ATOM 26 CB ASP A 24 6.541 4.571 14.628 1.00 99.99 C ATOM 27 CG ASP A 24 6.488 3.984 16.043 1.00 99.99 C ATOM 28 OD1 ASP A 24 6.402 4.765 17.029 1.00 99.99 O ATOM 29 OD2 ASP A 24 6.544 2.730 16.152 1.00 99.99 O ATOM 0 H ASP A 24 4.056 5.196 14.723 1.00 99.99 H new ATOM 0 HA ASP A 24 6.517 6.622 15.301 1.00 99.99 H new ATOM 0 HB2 ASP A 24 5.978 3.933 13.947 1.00 99.99 H new ATOM 0 HB3 ASP A 24 7.573 4.581 14.276 1.00 99.99 H new ATOM 34 N PRO A 25 7.210 7.156 12.756 1.00 99.99 N ATOM 35 CA PRO A 25 7.248 7.974 11.553 1.00 99.99 C ATOM 36 C PRO A 25 7.246 7.153 10.283 1.00 99.99 C ATOM 37 O PRO A 25 6.856 7.703 9.264 1.00 99.99 O ATOM 38 CB PRO A 25 8.548 8.787 11.676 1.00 99.99 C ATOM 39 CG PRO A 25 9.427 7.957 12.615 1.00 99.99 C ATOM 40 CD PRO A 25 8.405 7.350 13.574 1.00 99.99 C ATOM 0 HA PRO A 25 6.359 8.601 11.480 1.00 99.99 H new ATOM 0 HB2 PRO A 25 9.024 8.926 10.705 1.00 99.99 H new ATOM 0 HB3 PRO A 25 8.359 9.780 12.083 1.00 99.99 H new ATOM 0 HG2 PRO A 25 9.984 7.190 12.077 1.00 99.99 H new ATOM 0 HG3 PRO A 25 10.158 8.574 13.138 1.00 99.99 H new ATOM 0 HD2 PRO A 25 8.760 6.407 13.988 1.00 99.99 H new ATOM 0 HD3 PRO A 25 8.207 8.013 14.416 1.00 99.99 H new ATOM 48 N LEU A 26 7.679 5.872 10.322 1.00 99.99 N ATOM 49 CA LEU A 26 7.644 4.887 9.249 1.00 99.99 C ATOM 50 C LEU A 26 6.201 4.492 8.974 1.00 99.99 C ATOM 51 O LEU A 26 5.832 4.379 7.833 1.00 99.99 O ATOM 52 CB LEU A 26 8.388 3.591 9.600 1.00 99.99 C ATOM 53 CG LEU A 26 8.216 2.414 8.614 1.00 99.99 C ATOM 54 CD1 LEU A 26 8.794 2.713 7.229 1.00 99.99 C ATOM 55 CD2 LEU A 26 8.839 1.138 9.196 1.00 99.99 C ATOM 0 H LEU A 26 8.089 5.485 11.172 1.00 99.99 H new ATOM 0 HA LEU A 26 8.125 5.355 8.391 1.00 99.99 H new ATOM 0 HB2 LEU A 26 9.451 3.818 9.680 1.00 99.99 H new ATOM 0 HB3 LEU A 26 8.057 3.263 10.585 1.00 99.99 H new ATOM 0 HG LEU A 26 7.145 2.264 8.480 1.00 99.99 H new ATOM 0 HD11 LEU A 26 8.645 1.851 6.579 1.00 99.99 H new ATOM 0 HD12 LEU A 26 8.289 3.580 6.804 1.00 99.99 H new ATOM 0 HD13 LEU A 26 9.860 2.921 7.317 1.00 99.99 H new ATOM 0 HD21 LEU A 26 8.711 0.316 8.491 1.00 99.99 H new ATOM 0 HD22 LEU A 26 9.902 1.301 9.374 1.00 99.99 H new ATOM 0 HD23 LEU A 26 8.347 0.889 10.136 1.00 99.99 H new ATOM 67 N VAL A 27 5.469 4.296 9.984 1.00 99.99 N ATOM 68 CA VAL A 27 4.073 3.889 9.869 1.00 99.99 C ATOM 69 C VAL A 27 3.254 5.047 9.318 1.00 99.99 C ATOM 70 O VAL A 27 2.457 4.834 8.439 1.00 99.99 O ATOM 71 CB VAL A 27 3.445 3.520 11.220 1.00 99.99 C ATOM 72 CG1 VAL A 27 1.943 3.216 11.059 1.00 99.99 C ATOM 73 CG2 VAL A 27 4.160 2.280 11.799 1.00 99.99 C ATOM 0 H VAL A 27 5.793 4.406 10.945 1.00 99.99 H new ATOM 0 HA VAL A 27 4.062 3.016 9.217 1.00 99.99 H new ATOM 0 HB VAL A 27 3.559 4.366 11.898 1.00 99.99 H new ATOM 0 HG11 VAL A 27 1.518 2.957 12.029 1.00 99.99 H new ATOM 0 HG12 VAL A 27 1.434 4.095 10.663 1.00 99.99 H new ATOM 0 HG13 VAL A 27 1.813 2.381 10.371 1.00 99.99 H new ATOM 0 HG21 VAL A 27 3.714 2.018 12.758 1.00 99.99 H new ATOM 0 HG22 VAL A 27 4.054 1.443 11.109 1.00 99.99 H new ATOM 0 HG23 VAL A 27 5.218 2.502 11.939 1.00 99.99 H new ATOM 83 N VAL A 28 3.461 6.181 9.831 1.00 99.99 N ATOM 84 CA VAL A 28 2.730 7.373 9.418 1.00 99.99 C ATOM 85 C VAL A 28 3.146 7.753 8.006 1.00 99.99 C ATOM 86 O VAL A 28 2.298 8.061 7.207 1.00 99.99 O ATOM 87 CB VAL A 28 3.024 8.591 10.302 1.00 99.99 C ATOM 88 CG1 VAL A 28 2.374 9.868 9.731 1.00 99.99 C ATOM 89 CG2 VAL A 28 2.515 8.331 11.734 1.00 99.99 C ATOM 0 H VAL A 28 4.148 6.350 10.566 1.00 99.99 H new ATOM 0 HA VAL A 28 1.671 7.125 9.494 1.00 99.99 H new ATOM 0 HB VAL A 28 4.103 8.745 10.322 1.00 99.99 H new ATOM 0 HG11 VAL A 28 2.601 10.713 10.380 1.00 99.99 H new ATOM 0 HG12 VAL A 28 2.767 10.061 8.733 1.00 99.99 H new ATOM 0 HG13 VAL A 28 1.294 9.733 9.676 1.00 99.99 H new ATOM 0 HG21 VAL A 28 2.726 9.199 12.358 1.00 99.99 H new ATOM 0 HG22 VAL A 28 1.440 8.153 11.711 1.00 99.99 H new ATOM 0 HG23 VAL A 28 3.019 7.457 12.146 1.00 99.99 H new ATOM 99 N ALA A 29 4.382 7.730 7.757 1.00 99.99 N ATOM 100 CA ALA A 29 4.925 8.099 6.453 1.00 99.99 C ATOM 101 C ALA A 29 4.365 7.161 5.394 1.00 99.99 C ATOM 102 O ALA A 29 4.015 7.620 4.334 1.00 99.99 O ATOM 103 CB ALA A 29 6.451 7.968 6.382 1.00 99.99 C ATOM 0 H ALA A 29 5.089 7.455 8.439 1.00 99.99 H new ATOM 0 HA ALA A 29 4.647 9.140 6.289 1.00 99.99 H new ATOM 0 HB1 ALA A 29 6.795 8.256 5.389 1.00 99.99 H new ATOM 0 HB2 ALA A 29 6.907 8.620 7.127 1.00 99.99 H new ATOM 0 HB3 ALA A 29 6.737 6.935 6.580 1.00 99.99 H new ATOM 109 N ALA A 30 4.308 5.937 5.694 1.00 99.99 N ATOM 110 CA ALA A 30 3.817 4.927 4.765 1.00 99.99 C ATOM 111 C ALA A 30 2.349 5.186 4.466 1.00 99.99 C ATOM 112 O ALA A 30 1.934 4.980 3.352 1.00 99.99 O ATOM 113 CB ALA A 30 3.896 3.504 5.335 1.00 99.99 C ATOM 0 H ALA A 30 4.597 5.564 6.598 1.00 99.99 H new ATOM 0 HA ALA A 30 4.447 4.997 3.878 1.00 99.99 H new ATOM 0 HB1 ALA A 30 3.517 2.795 4.599 1.00 99.99 H new ATOM 0 HB2 ALA A 30 4.933 3.263 5.570 1.00 99.99 H new ATOM 0 HB3 ALA A 30 3.295 3.441 6.242 1.00 99.99 H new ATOM 119 N SER A 31 1.645 5.609 5.422 1.00 99.99 N ATOM 120 CA SER A 31 0.218 5.876 5.284 1.00 99.99 C ATOM 121 C SER A 31 0.010 6.972 4.249 1.00 99.99 C ATOM 122 O SER A 31 -0.832 6.823 3.398 1.00 99.99 O ATOM 123 CB SER A 31 -0.426 6.378 6.582 1.00 99.99 C ATOM 124 OG SER A 31 -0.401 5.365 7.585 1.00 99.99 O ATOM 0 H SER A 31 2.014 5.795 6.354 1.00 99.99 H new ATOM 0 HA SER A 31 -0.243 4.931 4.999 1.00 99.99 H new ATOM 0 HB2 SER A 31 0.104 7.262 6.938 1.00 99.99 H new ATOM 0 HB3 SER A 31 -1.456 6.680 6.389 1.00 99.99 H new ATOM 0 HG SER A 31 0.522 5.219 7.879 1.00 99.99 H new ATOM 130 N ILE A 32 0.744 7.994 4.353 1.00 99.99 N ATOM 131 CA ILE A 32 0.634 9.130 3.446 1.00 99.99 C ATOM 132 C ILE A 32 1.028 8.696 2.042 1.00 99.99 C ATOM 133 O ILE A 32 0.423 9.139 1.101 1.00 99.99 O ATOM 134 CB ILE A 32 1.571 10.285 3.822 1.00 99.99 C ATOM 135 CG1 ILE A 32 1.155 10.890 5.181 1.00 99.99 C ATOM 136 CG2 ILE A 32 1.561 11.378 2.732 1.00 99.99 C ATOM 137 CD1 ILE A 32 2.233 11.796 5.791 1.00 99.99 C ATOM 0 H ILE A 32 1.461 8.103 5.070 1.00 99.99 H new ATOM 0 HA ILE A 32 -0.400 9.471 3.507 1.00 99.99 H new ATOM 0 HB ILE A 32 2.583 9.889 3.904 1.00 99.99 H new ATOM 0 HG12 ILE A 32 0.237 11.464 5.051 1.00 99.99 H new ATOM 0 HG13 ILE A 32 0.930 10.083 5.878 1.00 99.99 H new ATOM 0 HG21 ILE A 32 2.233 12.186 3.021 1.00 99.99 H new ATOM 0 HG22 ILE A 32 1.893 10.951 1.786 1.00 99.99 H new ATOM 0 HG23 ILE A 32 0.550 11.769 2.619 1.00 99.99 H new ATOM 0 HD11 ILE A 32 1.880 12.190 6.744 1.00 99.99 H new ATOM 0 HD12 ILE A 32 3.144 11.220 5.951 1.00 99.99 H new ATOM 0 HD13 ILE A 32 2.441 12.623 5.111 1.00 99.99 H new ATOM 149 N ILE A 33 1.989 7.884 1.954 1.00 99.99 N ATOM 150 CA ILE A 33 2.491 7.403 0.671 1.00 99.99 C ATOM 151 C ILE A 33 1.384 6.651 -0.053 1.00 99.99 C ATOM 152 O ILE A 33 1.188 6.877 -1.220 1.00 99.99 O ATOM 153 CB ILE A 33 3.658 6.417 0.816 1.00 99.99 C ATOM 154 CG1 ILE A 33 4.965 7.226 1.007 1.00 99.99 C ATOM 155 CG2 ILE A 33 3.770 5.468 -0.391 1.00 99.99 C ATOM 156 CD1 ILE A 33 6.151 6.411 1.536 1.00 99.99 C ATOM 0 H ILE A 33 2.483 7.506 2.762 1.00 99.99 H new ATOM 0 HA ILE A 33 2.831 8.284 0.127 1.00 99.99 H new ATOM 0 HB ILE A 33 3.478 5.785 1.686 1.00 99.99 H new ATOM 0 HG12 ILE A 33 5.244 7.670 0.052 1.00 99.99 H new ATOM 0 HG13 ILE A 33 4.770 8.048 1.696 1.00 99.99 H new ATOM 0 HG21 ILE A 33 4.610 4.789 -0.243 1.00 99.99 H new ATOM 0 HG22 ILE A 33 2.850 4.892 -0.487 1.00 99.99 H new ATOM 0 HG23 ILE A 33 3.930 6.051 -1.298 1.00 99.99 H new ATOM 0 HD11 ILE A 33 7.021 7.059 1.638 1.00 99.99 H new ATOM 0 HD12 ILE A 33 5.897 5.988 2.508 1.00 99.99 H new ATOM 0 HD13 ILE A 33 6.379 5.605 0.838 1.00 99.99 H new ATOM 168 N GLY A 34 0.727 5.819 0.631 1.00 99.99 N ATOM 169 CA GLY A 34 -0.347 5.012 0.058 1.00 99.99 C ATOM 170 C GLY A 34 -1.488 5.920 -0.366 1.00 99.99 C ATOM 171 O GLY A 34 -2.087 5.672 -1.382 1.00 99.99 O ATOM 0 H GLY A 34 0.892 5.648 1.623 1.00 99.99 H new ATOM 0 HA2 GLY A 34 0.023 4.450 -0.799 1.00 99.99 H new ATOM 0 HA3 GLY A 34 -0.699 4.284 0.789 1.00 99.99 H new ATOM 175 N ILE A 35 -1.424 7.185 0.018 1.00 99.99 N ATOM 176 CA ILE A 35 -2.444 8.087 -0.509 1.00 99.99 C ATOM 177 C ILE A 35 -1.905 8.795 -1.741 1.00 99.99 C ATOM 178 O ILE A 35 -2.599 8.871 -2.723 1.00 99.99 O ATOM 179 CB ILE A 35 -2.838 9.188 0.485 1.00 99.99 C ATOM 180 CG1 ILE A 35 -3.392 8.563 1.790 1.00 99.99 C ATOM 181 CG2 ILE A 35 -3.889 10.120 -0.155 1.00 99.99 C ATOM 182 CD1 ILE A 35 -3.524 9.537 2.965 1.00 99.99 C ATOM 0 H ILE A 35 -0.732 7.593 0.646 1.00 99.99 H new ATOM 0 HA ILE A 35 -3.315 7.469 -0.725 1.00 99.99 H new ATOM 0 HB ILE A 35 -1.953 9.773 0.734 1.00 99.99 H new ATOM 0 HG12 ILE A 35 -4.371 8.132 1.582 1.00 99.99 H new ATOM 0 HG13 ILE A 35 -2.739 7.742 2.088 1.00 99.99 H new ATOM 0 HG21 ILE A 35 -4.165 10.899 0.555 1.00 99.99 H new ATOM 0 HG22 ILE A 35 -3.471 10.578 -1.052 1.00 99.99 H new ATOM 0 HG23 ILE A 35 -4.774 9.542 -0.421 1.00 99.99 H new ATOM 0 HD11 ILE A 35 -3.919 9.009 3.833 1.00 99.99 H new ATOM 0 HD12 ILE A 35 -2.545 9.950 3.207 1.00 99.99 H new ATOM 0 HD13 ILE A 35 -4.202 10.346 2.693 1.00 99.99 H new ATOM 194 N LEU A 36 -0.739 9.269 -1.655 1.00 99.99 N ATOM 195 CA LEU A 36 -0.108 9.997 -2.751 1.00 99.99 C ATOM 196 C LEU A 36 0.013 9.078 -3.958 1.00 99.99 C ATOM 197 O LEU A 36 -0.276 9.502 -5.048 1.00 99.99 O ATOM 198 CB LEU A 36 1.315 10.463 -2.417 1.00 99.99 C ATOM 199 CG LEU A 36 2.086 11.122 -3.580 1.00 99.99 C ATOM 200 CD1 LEU A 36 1.398 12.415 -4.040 1.00 99.99 C ATOM 201 CD2 LEU A 36 3.546 11.389 -3.190 1.00 99.99 C ATOM 0 H LEU A 36 -0.155 9.181 -0.824 1.00 99.99 H new ATOM 0 HA LEU A 36 -0.735 10.868 -2.943 1.00 99.99 H new ATOM 0 HB2 LEU A 36 1.262 11.172 -1.591 1.00 99.99 H new ATOM 0 HB3 LEU A 36 1.887 9.605 -2.065 1.00 99.99 H new ATOM 0 HG LEU A 36 2.082 10.425 -4.418 1.00 99.99 H new ATOM 0 HD11 LEU A 36 1.964 12.856 -4.860 1.00 99.99 H new ATOM 0 HD12 LEU A 36 0.387 12.189 -4.378 1.00 99.99 H new ATOM 0 HD13 LEU A 36 1.354 13.119 -3.209 1.00 99.99 H new ATOM 0 HD21 LEU A 36 4.067 11.854 -4.027 1.00 99.99 H new ATOM 0 HD22 LEU A 36 3.576 12.056 -2.328 1.00 99.99 H new ATOM 0 HD23 LEU A 36 4.033 10.447 -2.937 1.00 99.99 H new ATOM 213 N HIS A 37 0.461 7.817 -3.772 1.00 99.99 N ATOM 214 CA HIS A 37 0.680 6.857 -4.827 1.00 99.99 C ATOM 215 C HIS A 37 -0.623 6.530 -5.505 1.00 99.99 C ATOM 216 O HIS A 37 -0.647 6.180 -6.683 1.00 99.99 O ATOM 217 CB HIS A 37 1.306 5.549 -4.285 1.00 99.99 C ATOM 218 CG HIS A 37 1.739 4.580 -5.355 1.00 99.99 C ATOM 219 ND1 HIS A 37 2.004 3.264 -5.090 1.00 99.99 N ATOM 220 CD2 HIS A 37 1.996 4.781 -6.669 1.00 99.99 C ATOM 221 CE1 HIS A 37 2.399 2.682 -6.214 1.00 99.99 C ATOM 222 NE2 HIS A 37 2.402 3.582 -7.188 1.00 99.99 N ATOM 0 H HIS A 37 0.681 7.447 -2.847 1.00 99.99 H new ATOM 0 HA HIS A 37 1.373 7.305 -5.539 1.00 99.99 H new ATOM 0 HB2 HIS A 37 2.169 5.801 -3.668 1.00 99.99 H new ATOM 0 HB3 HIS A 37 0.583 5.056 -3.635 1.00 99.99 H new ATOM 0 HD2 HIS A 37 1.899 5.713 -7.206 1.00 99.99 H new ATOM 0 HE1 HIS A 37 2.674 1.643 -6.319 1.00 99.99 H new ATOM 0 HE2 HIS A 37 2.663 3.410 -8.159 1.00 99.99 H new ATOM 230 N LEU A 38 -1.748 6.685 -4.765 1.00 99.99 N ATOM 231 CA LEU A 38 -3.085 6.433 -5.290 1.00 99.99 C ATOM 232 C LEU A 38 -3.464 7.546 -6.256 1.00 99.99 C ATOM 233 O LEU A 38 -3.975 7.260 -7.308 1.00 99.99 O ATOM 234 CB LEU A 38 -4.165 6.419 -4.200 1.00 99.99 C ATOM 235 CG LEU A 38 -5.592 6.177 -4.749 1.00 99.99 C ATOM 236 CD1 LEU A 38 -5.697 4.839 -5.492 1.00 99.99 C ATOM 237 CD2 LEU A 38 -6.653 6.262 -3.651 1.00 99.99 C ATOM 0 H LEU A 38 -1.739 6.988 -3.791 1.00 99.99 H new ATOM 0 HA LEU A 38 -3.046 5.454 -5.767 1.00 99.99 H new ATOM 0 HB2 LEU A 38 -3.927 5.642 -3.474 1.00 99.99 H new ATOM 0 HB3 LEU A 38 -4.145 7.370 -3.668 1.00 99.99 H new ATOM 0 HG LEU A 38 -5.786 6.978 -5.463 1.00 99.99 H new ATOM 0 HD11 LEU A 38 -6.714 4.707 -5.862 1.00 99.99 H new ATOM 0 HD12 LEU A 38 -5.002 4.834 -6.332 1.00 99.99 H new ATOM 0 HD13 LEU A 38 -5.450 4.024 -4.811 1.00 99.99 H new ATOM 0 HD21 LEU A 38 -7.638 6.086 -4.083 1.00 99.99 H new ATOM 0 HD22 LEU A 38 -6.450 5.509 -2.890 1.00 99.99 H new ATOM 0 HD23 LEU A 38 -6.628 7.252 -3.197 1.00 99.99 H new ATOM 249 N ILE A 39 -3.218 8.724 -5.882 1.00 99.99 N ATOM 250 CA ILE A 39 -3.553 9.889 -6.694 1.00 99.99 C ATOM 251 C ILE A 39 -2.758 9.841 -7.990 1.00 99.99 C ATOM 252 O ILE A 39 -3.316 10.096 -9.029 1.00 99.99 O ATOM 253 CB ILE A 39 -3.193 11.217 -6.014 1.00 99.99 C ATOM 254 CG1 ILE A 39 -4.092 11.433 -4.776 1.00 99.99 C ATOM 255 CG2 ILE A 39 -3.350 12.387 -7.008 1.00 99.99 C ATOM 256 CD1 ILE A 39 -3.688 12.643 -3.922 1.00 99.99 C ATOM 0 H ILE A 39 -2.771 8.951 -4.994 1.00 99.99 H new ATOM 0 HA ILE A 39 -4.630 9.851 -6.855 1.00 99.99 H new ATOM 0 HB ILE A 39 -2.153 11.180 -5.690 1.00 99.99 H new ATOM 0 HG12 ILE A 39 -5.123 11.560 -5.105 1.00 99.99 H new ATOM 0 HG13 ILE A 39 -4.063 10.537 -4.156 1.00 99.99 H new ATOM 0 HG21 ILE A 39 -3.091 13.323 -6.512 1.00 99.99 H new ATOM 0 HG22 ILE A 39 -2.687 12.232 -7.860 1.00 99.99 H new ATOM 0 HG23 ILE A 39 -4.382 12.433 -7.355 1.00 99.99 H new ATOM 0 HD11 ILE A 39 -4.364 12.730 -3.072 1.00 99.99 H new ATOM 0 HD12 ILE A 39 -2.668 12.510 -3.562 1.00 99.99 H new ATOM 0 HD13 ILE A 39 -3.745 13.549 -4.525 1.00 99.99 H new ATOM 268 N LEU A 40 -1.539 9.540 -7.895 1.00 99.99 N ATOM 269 CA LEU A 40 -0.653 9.482 -9.051 1.00 99.99 C ATOM 270 C LEU A 40 -1.154 8.419 -10.017 1.00 99.99 C ATOM 271 O LEU A 40 -1.169 8.660 -11.198 1.00 99.99 O ATOM 272 CB LEU A 40 0.784 9.091 -8.686 1.00 99.99 C ATOM 273 CG LEU A 40 1.590 10.160 -7.915 1.00 99.99 C ATOM 274 CD1 LEU A 40 2.965 9.586 -7.519 1.00 99.99 C ATOM 275 CD2 LEU A 40 1.775 11.450 -8.726 1.00 99.99 C ATOM 0 H LEU A 40 -1.082 9.316 -7.011 1.00 99.99 H new ATOM 0 HA LEU A 40 -0.653 10.482 -9.484 1.00 99.99 H new ATOM 0 HB2 LEU A 40 0.753 8.182 -8.086 1.00 99.99 H new ATOM 0 HB3 LEU A 40 1.320 8.849 -9.604 1.00 99.99 H new ATOM 0 HG LEU A 40 1.021 10.419 -7.022 1.00 99.99 H new ATOM 0 HD11 LEU A 40 3.532 10.342 -6.975 1.00 99.99 H new ATOM 0 HD12 LEU A 40 2.825 8.711 -6.884 1.00 99.99 H new ATOM 0 HD13 LEU A 40 3.512 9.299 -8.417 1.00 99.99 H new ATOM 0 HD21 LEU A 40 2.348 12.169 -8.140 1.00 99.99 H new ATOM 0 HD22 LEU A 40 2.310 11.226 -9.649 1.00 99.99 H new ATOM 0 HD23 LEU A 40 0.799 11.872 -8.966 1.00 99.99 H new ATOM 287 N TRP A 41 -1.528 7.325 -9.510 1.00 99.99 N ATOM 288 CA TRP A 41 -2.005 6.211 -10.319 1.00 99.99 C ATOM 289 C TRP A 41 -3.314 6.602 -10.988 1.00 99.99 C ATOM 290 O TRP A 41 -3.488 6.316 -12.146 1.00 99.99 O ATOM 291 CB TRP A 41 -2.299 4.953 -9.489 1.00 99.99 C ATOM 292 CG TRP A 41 -2.696 3.745 -10.318 1.00 99.99 C ATOM 293 CD1 TRP A 41 -1.870 2.932 -11.031 1.00 99.99 C ATOM 294 CD2 TRP A 41 -4.039 3.308 -10.589 1.00 99.99 C ATOM 295 NE1 TRP A 41 -2.594 1.962 -11.665 1.00 99.99 N ATOM 296 CE2 TRP A 41 -3.929 2.196 -11.444 1.00 99.99 C ATOM 297 CE3 TRP A 41 -5.282 3.780 -10.155 1.00 99.99 C ATOM 298 CZ2 TRP A 41 -5.060 1.517 -11.873 1.00 99.99 C ATOM 299 CZ3 TRP A 41 -6.417 3.101 -10.602 1.00 99.99 C ATOM 300 CH2 TRP A 41 -6.316 1.983 -11.448 1.00 99.99 C ATOM 0 H TRP A 41 -1.525 7.139 -8.507 1.00 99.99 H new ATOM 0 HA TRP A 41 -1.214 5.990 -11.035 1.00 99.99 H new ATOM 0 HB2 TRP A 41 -1.415 4.703 -8.902 1.00 99.99 H new ATOM 0 HB3 TRP A 41 -3.099 5.175 -8.783 1.00 99.99 H new ATOM 0 HD1 TRP A 41 -0.797 3.038 -11.088 1.00 99.99 H new ATOM 0 HE1 TRP A 41 -2.207 1.192 -12.211 1.00 99.99 H new ATOM 0 HE3 TRP A 41 -5.361 4.635 -9.500 1.00 99.99 H new ATOM 0 HZ2 TRP A 41 -4.978 0.653 -12.516 1.00 99.99 H new ATOM 0 HZ3 TRP A 41 -7.393 3.442 -10.291 1.00 99.99 H new ATOM 0 HH2 TRP A 41 -7.212 1.477 -11.775 1.00 99.99 H new ATOM 311 N ILE A 42 -4.157 7.205 -10.268 1.00 99.99 N ATOM 312 CA ILE A 42 -5.464 7.614 -10.772 1.00 99.99 C ATOM 313 C ILE A 42 -5.279 8.702 -11.820 1.00 99.99 C ATOM 314 O ILE A 42 -5.931 8.655 -12.833 1.00 99.99 O ATOM 315 CB ILE A 42 -6.364 8.210 -9.684 1.00 99.99 C ATOM 316 CG1 ILE A 42 -6.832 7.100 -8.714 1.00 99.99 C ATOM 317 CG2 ILE A 42 -7.583 8.924 -10.308 1.00 99.99 C ATOM 318 CD1 ILE A 42 -7.663 7.625 -7.533 1.00 99.99 C ATOM 0 H ILE A 42 -3.992 7.450 -9.292 1.00 99.99 H new ATOM 0 HA ILE A 42 -5.933 6.715 -11.172 1.00 99.99 H new ATOM 0 HB ILE A 42 -5.786 8.947 -9.127 1.00 99.99 H new ATOM 0 HG12 ILE A 42 -7.423 6.371 -9.268 1.00 99.99 H new ATOM 0 HG13 ILE A 42 -5.959 6.575 -8.328 1.00 99.99 H new ATOM 0 HG21 ILE A 42 -8.207 9.339 -9.516 1.00 99.99 H new ATOM 0 HG22 ILE A 42 -7.240 9.729 -10.958 1.00 99.99 H new ATOM 0 HG23 ILE A 42 -8.164 8.209 -10.891 1.00 99.99 H new ATOM 0 HD11 ILE A 42 -7.956 6.791 -6.895 1.00 99.99 H new ATOM 0 HD12 ILE A 42 -7.068 8.332 -6.955 1.00 99.99 H new ATOM 0 HD13 ILE A 42 -8.555 8.125 -7.910 1.00 99.99 H new ATOM 330 N LEU A 43 -4.444 9.609 -11.552 1.00 99.99 N ATOM 331 CA LEU A 43 -4.189 10.725 -12.454 1.00 99.99 C ATOM 332 C LEU A 43 -3.605 10.197 -13.757 1.00 99.99 C ATOM 333 O LEU A 43 -3.900 10.737 -14.793 1.00 99.99 O ATOM 334 CB LEU A 43 -3.165 11.722 -11.895 1.00 99.99 C ATOM 335 CG LEU A 43 -3.670 12.543 -10.685 1.00 99.99 C ATOM 336 CD1 LEU A 43 -2.502 13.306 -10.035 1.00 99.99 C ATOM 337 CD2 LEU A 43 -4.785 13.524 -11.080 1.00 99.99 C ATOM 0 H LEU A 43 -3.891 9.631 -10.696 1.00 99.99 H new ATOM 0 HA LEU A 43 -5.145 11.230 -12.593 1.00 99.99 H new ATOM 0 HB2 LEU A 43 -2.268 11.177 -11.600 1.00 99.99 H new ATOM 0 HB3 LEU A 43 -2.874 12.409 -12.689 1.00 99.99 H new ATOM 0 HG LEU A 43 -4.089 11.840 -9.966 1.00 99.99 H new ATOM 0 HD11 LEU A 43 -2.871 13.880 -9.185 1.00 99.99 H new ATOM 0 HD12 LEU A 43 -1.748 12.596 -9.694 1.00 99.99 H new ATOM 0 HD13 LEU A 43 -2.059 13.983 -10.765 1.00 99.99 H new ATOM 0 HD21 LEU A 43 -5.110 14.079 -10.200 1.00 99.99 H new ATOM 0 HD22 LEU A 43 -4.409 14.220 -11.830 1.00 99.99 H new ATOM 0 HD23 LEU A 43 -5.629 12.970 -11.491 1.00 99.99 H new ATOM 349 N ASP A 44 -2.822 9.211 -13.666 1.00 99.99 N ATOM 350 CA ASP A 44 -2.172 8.621 -14.828 1.00 99.99 C ATOM 351 C ASP A 44 -3.220 7.950 -15.706 1.00 99.99 C ATOM 352 O ASP A 44 -3.128 8.046 -16.905 1.00 99.99 O ATOM 353 CB ASP A 44 -1.156 7.531 -14.458 1.00 99.99 C ATOM 354 CG ASP A 44 -0.411 6.978 -15.688 1.00 99.99 C ATOM 355 OD1 ASP A 44 0.368 7.743 -16.305 1.00 99.99 O ATOM 356 OD2 ASP A 44 -0.566 5.762 -16.010 1.00 99.99 O ATOM 0 H ASP A 44 -2.587 8.757 -12.783 1.00 99.99 H new ATOM 0 HA ASP A 44 -1.655 9.436 -15.334 1.00 99.99 H new ATOM 0 HB2 ASP A 44 -0.433 7.938 -13.751 1.00 99.99 H new ATOM 0 HB3 ASP A 44 -1.672 6.715 -13.952 1.00 99.99 H new ATOM 361 N ARG A 45 -4.134 7.318 -15.111 1.00 99.99 N ATOM 362 CA ARG A 45 -5.188 6.609 -15.827 1.00 99.99 C ATOM 363 C ARG A 45 -6.047 7.611 -16.585 1.00 99.99 C ATOM 364 O ARG A 45 -6.375 7.361 -17.716 1.00 99.99 O ATOM 365 CB ARG A 45 -6.138 5.848 -14.892 1.00 99.99 C ATOM 366 CG ARG A 45 -5.459 4.694 -14.124 1.00 99.99 C ATOM 367 CD ARG A 45 -5.198 3.460 -14.997 1.00 99.99 C ATOM 368 NE ARG A 45 -3.802 3.553 -15.555 1.00 99.99 N ATOM 369 CZ ARG A 45 -3.446 2.877 -16.664 1.00 99.99 C ATOM 370 NH1 ARG A 45 -4.311 2.072 -17.306 1.00 99.99 N ATOM 371 NH2 ARG A 45 -2.183 2.997 -17.105 1.00 99.99 N ATOM 0 H ARG A 45 -4.206 7.254 -14.096 1.00 99.99 H new ATOM 0 HA ARG A 45 -4.685 5.900 -16.485 1.00 99.99 H new ATOM 0 HB2 ARG A 45 -6.566 6.548 -14.174 1.00 99.99 H new ATOM 0 HB3 ARG A 45 -6.965 5.446 -15.477 1.00 99.99 H new ATOM 0 HG2 ARG A 45 -4.513 5.047 -13.712 1.00 99.99 H new ATOM 0 HG3 ARG A 45 -6.087 4.408 -13.280 1.00 99.99 H new ATOM 0 HD2 ARG A 45 -5.310 2.550 -14.408 1.00 99.99 H new ATOM 0 HD3 ARG A 45 -5.926 3.408 -15.806 1.00 99.99 H new ATOM 0 HE ARG A 45 -3.113 4.139 -15.084 1.00 99.99 H new ATOM 0 HH11 ARG A 45 -5.262 1.962 -16.955 1.00 99.99 H new ATOM 0 HH12 ARG A 45 -4.016 1.571 -18.144 1.00 99.99 H new ATOM 0 HH21 ARG A 45 -1.521 3.589 -16.602 1.00 99.99 H new ATOM 0 HH22 ARG A 45 -1.885 2.496 -17.942 1.00 99.99 H new ATOM 385 N LEU A 46 -6.370 8.660 -15.963 1.00 99.99 N ATOM 386 CA LEU A 46 -7.209 9.693 -16.559 1.00 99.99 C ATOM 387 C LEU A 46 -6.456 10.357 -17.701 1.00 99.99 C ATOM 388 O LEU A 46 -5.456 11.040 -17.488 1.00 99.99 O ATOM 389 CB LEU A 46 -7.573 10.811 -15.573 1.00 99.99 C ATOM 390 CG LEU A 46 -8.346 10.407 -14.293 1.00 99.99 C ATOM 391 CD1 LEU A 46 -8.388 11.623 -13.347 1.00 99.99 C ATOM 392 CD2 LEU A 46 -9.767 9.907 -14.574 1.00 99.99 C ATOM 0 H LEU A 46 -6.074 8.864 -15.009 1.00 99.99 H new ATOM 0 HA LEU A 46 -8.120 9.193 -16.887 1.00 99.99 H new ATOM 0 HB2 LEU A 46 -6.650 11.305 -15.268 1.00 99.99 H new ATOM 0 HB3 LEU A 46 -8.169 11.551 -16.107 1.00 99.99 H new ATOM 0 HG LEU A 46 -7.819 9.570 -13.835 1.00 99.99 H new ATOM 0 HD11 LEU A 46 -8.929 11.359 -12.438 1.00 99.99 H new ATOM 0 HD12 LEU A 46 -7.371 11.920 -13.091 1.00 99.99 H new ATOM 0 HD13 LEU A 46 -8.894 12.452 -13.842 1.00 99.99 H new ATOM 0 HD21 LEU A 46 -10.252 9.641 -13.635 1.00 99.99 H new ATOM 0 HD22 LEU A 46 -10.338 10.693 -15.067 1.00 99.99 H new ATOM 0 HD23 LEU A 46 -9.723 9.030 -15.220 1.00 99.99 H new ATOM 405 N SER B 22 -10.412 0.608 18.988 1.00 99.99 N ATOM 406 CA SER B 22 -10.116 1.253 17.676 1.00 99.99 C ATOM 407 C SER B 22 -8.656 1.594 17.532 1.00 99.99 C ATOM 408 O SER B 22 -7.869 1.451 18.469 1.00 99.99 O ATOM 409 CB SER B 22 -11.011 2.512 17.446 1.00 99.99 C ATOM 410 OG SER B 22 -10.784 3.546 18.402 1.00 99.99 O ATOM 0 HA SER B 22 -10.356 0.524 16.902 1.00 99.99 H new ATOM 0 HB2 SER B 22 -10.825 2.904 16.446 1.00 99.99 H new ATOM 0 HB3 SER B 22 -12.059 2.216 17.483 1.00 99.99 H new ATOM 0 HG SER B 22 -11.370 4.307 18.206 1.00 99.99 H new ATOM 415 N SER B 23 -8.272 2.065 16.322 1.00 99.99 N ATOM 416 CA SER B 23 -6.942 2.542 16.027 1.00 99.99 C ATOM 417 C SER B 23 -7.113 3.965 15.559 1.00 99.99 C ATOM 418 O SER B 23 -8.174 4.560 15.748 1.00 99.99 O ATOM 419 CB SER B 23 -6.222 1.685 14.957 1.00 99.99 C ATOM 420 OG SER B 23 -6.043 0.357 15.429 1.00 99.99 O ATOM 0 H SER B 23 -8.905 2.116 15.524 1.00 99.99 H new ATOM 0 HA SER B 23 -6.309 2.475 16.912 1.00 99.99 H new ATOM 0 HB2 SER B 23 -6.805 1.676 14.036 1.00 99.99 H new ATOM 0 HB3 SER B 23 -5.255 2.127 14.718 1.00 99.99 H new ATOM 0 HG SER B 23 -5.588 -0.175 14.743 1.00 99.99 H new ATOM 426 N ASP B 24 -6.051 4.560 14.958 1.00 99.99 N ATOM 427 CA ASP B 24 -6.013 5.963 14.586 1.00 99.99 C ATOM 428 C ASP B 24 -6.540 6.101 13.174 1.00 99.99 C ATOM 429 O ASP B 24 -6.407 5.150 12.411 1.00 99.99 O ATOM 430 CB ASP B 24 -4.571 6.541 14.628 1.00 99.99 C ATOM 431 CG ASP B 24 -3.984 6.488 16.043 1.00 99.99 C ATOM 432 OD1 ASP B 24 -4.765 6.402 17.029 1.00 99.99 O ATOM 433 OD2 ASP B 24 -2.730 6.544 16.152 1.00 99.99 O ATOM 0 H ASP B 24 -5.196 4.056 14.723 1.00 99.99 H new ATOM 0 HA ASP B 24 -6.622 6.517 15.301 1.00 99.99 H new ATOM 0 HB2 ASP B 24 -3.933 5.978 13.947 1.00 99.99 H new ATOM 0 HB3 ASP B 24 -4.581 7.573 14.276 1.00 99.99 H new ATOM 438 N PRO B 25 -7.156 7.210 12.756 1.00 99.99 N ATOM 439 CA PRO B 25 -7.974 7.248 11.553 1.00 99.99 C ATOM 440 C PRO B 25 -7.153 7.246 10.283 1.00 99.99 C ATOM 441 O PRO B 25 -7.703 6.856 9.264 1.00 99.99 O ATOM 442 CB PRO B 25 -8.787 8.548 11.676 1.00 99.99 C ATOM 443 CG PRO B 25 -7.957 9.427 12.615 1.00 99.99 C ATOM 444 CD PRO B 25 -7.350 8.405 13.574 1.00 99.99 C ATOM 0 HA PRO B 25 -8.601 6.359 11.480 1.00 99.99 H new ATOM 0 HB2 PRO B 25 -8.926 9.024 10.705 1.00 99.99 H new ATOM 0 HB3 PRO B 25 -9.780 8.359 12.083 1.00 99.99 H new ATOM 0 HG2 PRO B 25 -7.190 9.984 12.077 1.00 99.99 H new ATOM 0 HG3 PRO B 25 -8.574 10.158 13.138 1.00 99.99 H new ATOM 0 HD2 PRO B 25 -6.407 8.760 13.988 1.00 99.99 H new ATOM 0 HD3 PRO B 25 -8.013 8.207 14.416 1.00 99.99 H new ATOM 452 N LEU B 26 -5.872 7.679 10.322 1.00 99.99 N ATOM 453 CA LEU B 26 -4.887 7.644 9.249 1.00 99.99 C ATOM 454 C LEU B 26 -4.492 6.201 8.974 1.00 99.99 C ATOM 455 O LEU B 26 -4.379 5.832 7.833 1.00 99.99 O ATOM 456 CB LEU B 26 -3.591 8.388 9.600 1.00 99.99 C ATOM 457 CG LEU B 26 -2.414 8.216 8.614 1.00 99.99 C ATOM 458 CD1 LEU B 26 -2.713 8.794 7.229 1.00 99.99 C ATOM 459 CD2 LEU B 26 -1.138 8.839 9.196 1.00 99.99 C ATOM 0 H LEU B 26 -5.485 8.089 11.172 1.00 99.99 H new ATOM 0 HA LEU B 26 -5.355 8.125 8.391 1.00 99.99 H new ATOM 0 HB2 LEU B 26 -3.818 9.451 9.680 1.00 99.99 H new ATOM 0 HB3 LEU B 26 -3.263 8.057 10.585 1.00 99.99 H new ATOM 0 HG LEU B 26 -2.264 7.145 8.480 1.00 99.99 H new ATOM 0 HD11 LEU B 26 -1.851 8.645 6.579 1.00 99.99 H new ATOM 0 HD12 LEU B 26 -3.580 8.289 6.804 1.00 99.99 H new ATOM 0 HD13 LEU B 26 -2.921 9.860 7.317 1.00 99.99 H new ATOM 0 HD21 LEU B 26 -0.316 8.711 8.491 1.00 99.99 H new ATOM 0 HD22 LEU B 26 -1.301 9.902 9.374 1.00 99.99 H new ATOM 0 HD23 LEU B 26 -0.889 8.347 10.136 1.00 99.99 H new ATOM 471 N VAL B 27 -4.296 5.469 9.984 1.00 99.99 N ATOM 472 CA VAL B 27 -3.889 4.073 9.869 1.00 99.99 C ATOM 473 C VAL B 27 -5.047 3.254 9.318 1.00 99.99 C ATOM 474 O VAL B 27 -4.834 2.457 8.439 1.00 99.99 O ATOM 475 CB VAL B 27 -3.520 3.445 11.220 1.00 99.99 C ATOM 476 CG1 VAL B 27 -3.216 1.943 11.059 1.00 99.99 C ATOM 477 CG2 VAL B 27 -2.280 4.160 11.799 1.00 99.99 C ATOM 0 H VAL B 27 -4.406 5.793 10.945 1.00 99.99 H new ATOM 0 HA VAL B 27 -3.016 4.062 9.217 1.00 99.99 H new ATOM 0 HB VAL B 27 -4.366 3.559 11.898 1.00 99.99 H new ATOM 0 HG11 VAL B 27 -2.957 1.518 12.029 1.00 99.99 H new ATOM 0 HG12 VAL B 27 -4.095 1.434 10.663 1.00 99.99 H new ATOM 0 HG13 VAL B 27 -2.381 1.813 10.371 1.00 99.99 H new ATOM 0 HG21 VAL B 27 -2.018 3.714 12.758 1.00 99.99 H new ATOM 0 HG22 VAL B 27 -1.443 4.054 11.109 1.00 99.99 H new ATOM 0 HG23 VAL B 27 -2.502 5.218 11.939 1.00 99.99 H new ATOM 487 N VAL B 28 -6.181 3.461 9.831 1.00 99.99 N ATOM 488 CA VAL B 28 -7.373 2.730 9.418 1.00 99.99 C ATOM 489 C VAL B 28 -7.753 3.146 8.006 1.00 99.99 C ATOM 490 O VAL B 28 -8.061 2.298 7.207 1.00 99.99 O ATOM 491 CB VAL B 28 -8.591 3.024 10.302 1.00 99.99 C ATOM 492 CG1 VAL B 28 -9.868 2.374 9.731 1.00 99.99 C ATOM 493 CG2 VAL B 28 -8.331 2.515 11.734 1.00 99.99 C ATOM 0 H VAL B 28 -6.350 4.148 10.566 1.00 99.99 H new ATOM 0 HA VAL B 28 -7.125 1.671 9.494 1.00 99.99 H new ATOM 0 HB VAL B 28 -8.745 4.103 10.322 1.00 99.99 H new ATOM 0 HG11 VAL B 28 -10.713 2.601 10.380 1.00 99.99 H new ATOM 0 HG12 VAL B 28 -10.061 2.767 8.733 1.00 99.99 H new ATOM 0 HG13 VAL B 28 -9.733 1.294 9.676 1.00 99.99 H new ATOM 0 HG21 VAL B 28 -9.199 2.726 12.358 1.00 99.99 H new ATOM 0 HG22 VAL B 28 -8.153 1.440 11.711 1.00 99.99 H new ATOM 0 HG23 VAL B 28 -7.457 3.019 12.146 1.00 99.99 H new ATOM 503 N ALA B 29 -7.730 4.382 7.757 1.00 99.99 N ATOM 504 CA ALA B 29 -8.099 4.925 6.453 1.00 99.99 C ATOM 505 C ALA B 29 -7.161 4.365 5.394 1.00 99.99 C ATOM 506 O ALA B 29 -7.620 4.015 4.334 1.00 99.99 O ATOM 507 CB ALA B 29 -7.968 6.451 6.382 1.00 99.99 C ATOM 0 H ALA B 29 -7.455 5.089 8.439 1.00 99.99 H new ATOM 0 HA ALA B 29 -9.140 4.647 6.289 1.00 99.99 H new ATOM 0 HB1 ALA B 29 -8.256 6.795 5.389 1.00 99.99 H new ATOM 0 HB2 ALA B 29 -8.620 6.907 7.127 1.00 99.99 H new ATOM 0 HB3 ALA B 29 -6.935 6.737 6.580 1.00 99.99 H new ATOM 513 N ALA B 30 -5.937 4.308 5.694 1.00 99.99 N ATOM 514 CA ALA B 30 -4.927 3.817 4.765 1.00 99.99 C ATOM 515 C ALA B 30 -5.186 2.349 4.466 1.00 99.99 C ATOM 516 O ALA B 30 -4.980 1.934 3.352 1.00 99.99 O ATOM 517 CB ALA B 30 -3.504 3.896 5.335 1.00 99.99 C ATOM 0 H ALA B 30 -5.564 4.597 6.598 1.00 99.99 H new ATOM 0 HA ALA B 30 -4.997 4.447 3.878 1.00 99.99 H new ATOM 0 HB1 ALA B 30 -2.795 3.517 4.599 1.00 99.99 H new ATOM 0 HB2 ALA B 30 -3.263 4.933 5.570 1.00 99.99 H new ATOM 0 HB3 ALA B 30 -3.441 3.295 6.242 1.00 99.99 H new ATOM 523 N SER B 31 -5.609 1.645 5.422 1.00 99.99 N ATOM 524 CA SER B 31 -5.876 0.218 5.284 1.00 99.99 C ATOM 525 C SER B 31 -6.972 0.010 4.249 1.00 99.99 C ATOM 526 O SER B 31 -6.823 -0.832 3.398 1.00 99.99 O ATOM 527 CB SER B 31 -6.378 -0.426 6.582 1.00 99.99 C ATOM 528 OG SER B 31 -5.365 -0.401 7.585 1.00 99.99 O ATOM 0 H SER B 31 -5.795 2.014 6.354 1.00 99.99 H new ATOM 0 HA SER B 31 -4.931 -0.243 4.999 1.00 99.99 H new ATOM 0 HB2 SER B 31 -7.262 0.104 6.938 1.00 99.99 H new ATOM 0 HB3 SER B 31 -6.680 -1.456 6.389 1.00 99.99 H new ATOM 0 HG SER B 31 -5.219 0.522 7.879 1.00 99.99 H new ATOM 534 N ILE B 32 -7.994 0.744 4.353 1.00 99.99 N ATOM 535 CA ILE B 32 -9.130 0.634 3.446 1.00 99.99 C ATOM 536 C ILE B 32 -8.696 1.028 2.042 1.00 99.99 C ATOM 537 O ILE B 32 -9.139 0.423 1.101 1.00 99.99 O ATOM 538 CB ILE B 32 -10.285 1.571 3.822 1.00 99.99 C ATOM 539 CG1 ILE B 32 -10.890 1.155 5.181 1.00 99.99 C ATOM 540 CG2 ILE B 32 -11.378 1.561 2.732 1.00 99.99 C ATOM 541 CD1 ILE B 32 -11.796 2.233 5.791 1.00 99.99 C ATOM 0 H ILE B 32 -8.103 1.461 5.070 1.00 99.99 H new ATOM 0 HA ILE B 32 -9.471 -0.400 3.507 1.00 99.99 H new ATOM 0 HB ILE B 32 -9.889 2.583 3.904 1.00 99.99 H new ATOM 0 HG12 ILE B 32 -11.464 0.237 5.051 1.00 99.99 H new ATOM 0 HG13 ILE B 32 -10.083 0.930 5.878 1.00 99.99 H new ATOM 0 HG21 ILE B 32 -12.186 2.233 3.021 1.00 99.99 H new ATOM 0 HG22 ILE B 32 -10.951 1.893 1.786 1.00 99.99 H new ATOM 0 HG23 ILE B 32 -11.769 0.550 2.619 1.00 99.99 H new ATOM 0 HD11 ILE B 32 -12.190 1.880 6.744 1.00 99.99 H new ATOM 0 HD12 ILE B 32 -11.220 3.144 5.951 1.00 99.99 H new ATOM 0 HD13 ILE B 32 -12.623 2.441 5.111 1.00 99.99 H new ATOM 553 N ILE B 33 -7.884 1.989 1.954 1.00 99.99 N ATOM 554 CA ILE B 33 -7.403 2.491 0.671 1.00 99.99 C ATOM 555 C ILE B 33 -6.651 1.384 -0.053 1.00 99.99 C ATOM 556 O ILE B 33 -6.877 1.188 -1.220 1.00 99.99 O ATOM 557 CB ILE B 33 -6.417 3.658 0.816 1.00 99.99 C ATOM 558 CG1 ILE B 33 -7.226 4.965 1.007 1.00 99.99 C ATOM 559 CG2 ILE B 33 -5.468 3.770 -0.391 1.00 99.99 C ATOM 560 CD1 ILE B 33 -6.411 6.151 1.536 1.00 99.99 C ATOM 0 H ILE B 33 -7.506 2.483 2.762 1.00 99.99 H new ATOM 0 HA ILE B 33 -8.284 2.831 0.127 1.00 99.99 H new ATOM 0 HB ILE B 33 -5.785 3.478 1.686 1.00 99.99 H new ATOM 0 HG12 ILE B 33 -7.670 5.244 0.052 1.00 99.99 H new ATOM 0 HG13 ILE B 33 -8.048 4.770 1.696 1.00 99.99 H new ATOM 0 HG21 ILE B 33 -4.789 4.610 -0.243 1.00 99.99 H new ATOM 0 HG22 ILE B 33 -4.892 2.850 -0.487 1.00 99.99 H new ATOM 0 HG23 ILE B 33 -6.051 3.930 -1.298 1.00 99.99 H new ATOM 0 HD11 ILE B 33 -7.059 7.021 1.638 1.00 99.99 H new ATOM 0 HD12 ILE B 33 -5.988 5.897 2.508 1.00 99.99 H new ATOM 0 HD13 ILE B 33 -5.605 6.379 0.838 1.00 99.99 H new ATOM 572 N GLY B 34 -5.819 0.727 0.631 1.00 99.99 N ATOM 573 CA GLY B 34 -5.012 -0.347 0.058 1.00 99.99 C ATOM 574 C GLY B 34 -5.920 -1.488 -0.366 1.00 99.99 C ATOM 575 O GLY B 34 -5.672 -2.087 -1.382 1.00 99.99 O ATOM 0 H GLY B 34 -5.648 0.892 1.623 1.00 99.99 H new ATOM 0 HA2 GLY B 34 -4.450 0.023 -0.799 1.00 99.99 H new ATOM 0 HA3 GLY B 34 -4.284 -0.699 0.789 1.00 99.99 H new ATOM 579 N ILE B 35 -7.185 -1.424 0.018 1.00 99.99 N ATOM 580 CA ILE B 35 -8.087 -2.444 -0.509 1.00 99.99 C ATOM 581 C ILE B 35 -8.795 -1.905 -1.741 1.00 99.99 C ATOM 582 O ILE B 35 -8.871 -2.599 -2.723 1.00 99.99 O ATOM 583 CB ILE B 35 -9.188 -2.838 0.485 1.00 99.99 C ATOM 584 CG1 ILE B 35 -8.563 -3.392 1.790 1.00 99.99 C ATOM 585 CG2 ILE B 35 -10.120 -3.889 -0.155 1.00 99.99 C ATOM 586 CD1 ILE B 35 -9.537 -3.524 2.965 1.00 99.99 C ATOM 0 H ILE B 35 -7.593 -0.732 0.646 1.00 99.99 H new ATOM 0 HA ILE B 35 -7.469 -3.315 -0.725 1.00 99.99 H new ATOM 0 HB ILE B 35 -9.773 -1.953 0.734 1.00 99.99 H new ATOM 0 HG12 ILE B 35 -8.132 -4.371 1.582 1.00 99.99 H new ATOM 0 HG13 ILE B 35 -7.742 -2.739 2.088 1.00 99.99 H new ATOM 0 HG21 ILE B 35 -10.899 -4.165 0.555 1.00 99.99 H new ATOM 0 HG22 ILE B 35 -10.578 -3.471 -1.052 1.00 99.99 H new ATOM 0 HG23 ILE B 35 -9.542 -4.774 -0.421 1.00 99.99 H new ATOM 0 HD11 ILE B 35 -9.009 -3.919 3.833 1.00 99.99 H new ATOM 0 HD12 ILE B 35 -9.950 -2.545 3.207 1.00 99.99 H new ATOM 0 HD13 ILE B 35 -10.346 -4.202 2.693 1.00 99.99 H new ATOM 598 N LEU B 36 -9.269 -0.739 -1.655 1.00 99.99 N ATOM 599 CA LEU B 36 -9.997 -0.108 -2.751 1.00 99.99 C ATOM 600 C LEU B 36 -9.078 0.013 -3.958 1.00 99.99 C ATOM 601 O LEU B 36 -9.502 -0.276 -5.048 1.00 99.99 O ATOM 602 CB LEU B 36 -10.463 1.315 -2.417 1.00 99.99 C ATOM 603 CG LEU B 36 -11.122 2.086 -3.580 1.00 99.99 C ATOM 604 CD1 LEU B 36 -12.415 1.398 -4.040 1.00 99.99 C ATOM 605 CD2 LEU B 36 -11.389 3.546 -3.190 1.00 99.99 C ATOM 0 H LEU B 36 -9.181 -0.155 -0.824 1.00 99.99 H new ATOM 0 HA LEU B 36 -10.868 -0.735 -2.943 1.00 99.99 H new ATOM 0 HB2 LEU B 36 -11.172 1.262 -1.591 1.00 99.99 H new ATOM 0 HB3 LEU B 36 -9.605 1.887 -2.065 1.00 99.99 H new ATOM 0 HG LEU B 36 -10.425 2.082 -4.418 1.00 99.99 H new ATOM 0 HD11 LEU B 36 -12.856 1.964 -4.860 1.00 99.99 H new ATOM 0 HD12 LEU B 36 -12.189 0.387 -4.378 1.00 99.99 H new ATOM 0 HD13 LEU B 36 -13.119 1.354 -3.209 1.00 99.99 H new ATOM 0 HD21 LEU B 36 -11.854 4.067 -4.027 1.00 99.99 H new ATOM 0 HD22 LEU B 36 -12.056 3.576 -2.328 1.00 99.99 H new ATOM 0 HD23 LEU B 36 -10.447 4.033 -2.937 1.00 99.99 H new ATOM 617 N HIS B 37 -7.817 0.461 -3.772 1.00 99.99 N ATOM 618 CA HIS B 37 -6.857 0.680 -4.827 1.00 99.99 C ATOM 619 C HIS B 37 -6.530 -0.623 -5.505 1.00 99.99 C ATOM 620 O HIS B 37 -6.180 -0.647 -6.683 1.00 99.99 O ATOM 621 CB HIS B 37 -5.549 1.306 -4.285 1.00 99.99 C ATOM 622 CG HIS B 37 -4.580 1.739 -5.355 1.00 99.99 C ATOM 623 ND1 HIS B 37 -3.264 2.004 -5.090 1.00 99.99 N ATOM 624 CD2 HIS B 37 -4.781 1.996 -6.669 1.00 99.99 C ATOM 625 CE1 HIS B 37 -2.682 2.399 -6.214 1.00 99.99 C ATOM 626 NE2 HIS B 37 -3.582 2.402 -7.188 1.00 99.99 N ATOM 0 H HIS B 37 -7.447 0.681 -2.847 1.00 99.99 H new ATOM 0 HA HIS B 37 -7.305 1.373 -5.539 1.00 99.99 H new ATOM 0 HB2 HIS B 37 -5.801 2.169 -3.668 1.00 99.99 H new ATOM 0 HB3 HIS B 37 -5.056 0.583 -3.635 1.00 99.99 H new ATOM 0 HD2 HIS B 37 -5.713 1.899 -7.206 1.00 99.99 H new ATOM 0 HE1 HIS B 37 -1.643 2.674 -6.319 1.00 99.99 H new ATOM 0 HE2 HIS B 37 -3.410 2.663 -8.159 1.00 99.99 H new ATOM 634 N LEU B 38 -6.685 -1.748 -4.765 1.00 99.99 N ATOM 635 CA LEU B 38 -6.433 -3.085 -5.290 1.00 99.99 C ATOM 636 C LEU B 38 -7.546 -3.464 -6.256 1.00 99.99 C ATOM 637 O LEU B 38 -7.260 -3.975 -7.308 1.00 99.99 O ATOM 638 CB LEU B 38 -6.419 -4.165 -4.200 1.00 99.99 C ATOM 639 CG LEU B 38 -6.177 -5.592 -4.749 1.00 99.99 C ATOM 640 CD1 LEU B 38 -4.839 -5.697 -5.492 1.00 99.99 C ATOM 641 CD2 LEU B 38 -6.262 -6.653 -3.651 1.00 99.99 C ATOM 0 H LEU B 38 -6.988 -1.739 -3.791 1.00 99.99 H new ATOM 0 HA LEU B 38 -5.454 -3.046 -5.767 1.00 99.99 H new ATOM 0 HB2 LEU B 38 -5.642 -3.927 -3.474 1.00 99.99 H new ATOM 0 HB3 LEU B 38 -7.370 -4.145 -3.668 1.00 99.99 H new ATOM 0 HG LEU B 38 -6.978 -5.786 -5.463 1.00 99.99 H new ATOM 0 HD11 LEU B 38 -4.707 -6.714 -5.862 1.00 99.99 H new ATOM 0 HD12 LEU B 38 -4.834 -5.002 -6.332 1.00 99.99 H new ATOM 0 HD13 LEU B 38 -4.024 -5.450 -4.811 1.00 99.99 H new ATOM 0 HD21 LEU B 38 -6.086 -7.638 -4.083 1.00 99.99 H new ATOM 0 HD22 LEU B 38 -5.509 -6.450 -2.890 1.00 99.99 H new ATOM 0 HD23 LEU B 38 -7.252 -6.628 -3.197 1.00 99.99 H new ATOM 653 N ILE B 39 -8.724 -3.218 -5.882 1.00 99.99 N ATOM 654 CA ILE B 39 -9.889 -3.553 -6.694 1.00 99.99 C ATOM 655 C ILE B 39 -9.841 -2.758 -7.990 1.00 99.99 C ATOM 656 O ILE B 39 -10.096 -3.316 -9.029 1.00 99.99 O ATOM 657 CB ILE B 39 -11.217 -3.193 -6.014 1.00 99.99 C ATOM 658 CG1 ILE B 39 -11.433 -4.092 -4.776 1.00 99.99 C ATOM 659 CG2 ILE B 39 -12.387 -3.350 -7.008 1.00 99.99 C ATOM 660 CD1 ILE B 39 -12.643 -3.688 -3.922 1.00 99.99 C ATOM 0 H ILE B 39 -8.951 -2.771 -4.994 1.00 99.99 H new ATOM 0 HA ILE B 39 -9.851 -4.630 -6.855 1.00 99.99 H new ATOM 0 HB ILE B 39 -11.180 -2.153 -5.690 1.00 99.99 H new ATOM 0 HG12 ILE B 39 -11.560 -5.123 -5.105 1.00 99.99 H new ATOM 0 HG13 ILE B 39 -10.537 -4.063 -4.156 1.00 99.99 H new ATOM 0 HG21 ILE B 39 -13.323 -3.091 -6.512 1.00 99.99 H new ATOM 0 HG22 ILE B 39 -12.232 -2.687 -7.860 1.00 99.99 H new ATOM 0 HG23 ILE B 39 -12.433 -4.382 -7.355 1.00 99.99 H new ATOM 0 HD11 ILE B 39 -12.730 -4.364 -3.072 1.00 99.99 H new ATOM 0 HD12 ILE B 39 -12.510 -2.668 -3.562 1.00 99.99 H new ATOM 0 HD13 ILE B 39 -13.549 -3.745 -4.525 1.00 99.99 H new ATOM 672 N LEU B 40 -9.540 -1.539 -7.895 1.00 99.99 N ATOM 673 CA LEU B 40 -9.482 -0.653 -9.051 1.00 99.99 C ATOM 674 C LEU B 40 -8.419 -1.154 -10.017 1.00 99.99 C ATOM 675 O LEU B 40 -8.660 -1.169 -11.198 1.00 99.99 O ATOM 676 CB LEU B 40 -9.091 0.784 -8.686 1.00 99.99 C ATOM 677 CG LEU B 40 -10.160 1.590 -7.915 1.00 99.99 C ATOM 678 CD1 LEU B 40 -9.586 2.965 -7.519 1.00 99.99 C ATOM 679 CD2 LEU B 40 -11.450 1.775 -8.726 1.00 99.99 C ATOM 0 H LEU B 40 -9.316 -1.082 -7.011 1.00 99.99 H new ATOM 0 HA LEU B 40 -10.482 -0.653 -9.484 1.00 99.99 H new ATOM 0 HB2 LEU B 40 -8.182 0.753 -8.086 1.00 99.99 H new ATOM 0 HB3 LEU B 40 -8.849 1.320 -9.604 1.00 99.99 H new ATOM 0 HG LEU B 40 -10.419 1.021 -7.022 1.00 99.99 H new ATOM 0 HD11 LEU B 40 -10.342 3.532 -6.975 1.00 99.99 H new ATOM 0 HD12 LEU B 40 -8.711 2.825 -6.884 1.00 99.99 H new ATOM 0 HD13 LEU B 40 -9.299 3.512 -8.417 1.00 99.99 H new ATOM 0 HD21 LEU B 40 -12.169 2.348 -8.140 1.00 99.99 H new ATOM 0 HD22 LEU B 40 -11.226 2.310 -9.649 1.00 99.99 H new ATOM 0 HD23 LEU B 40 -11.872 0.799 -8.966 1.00 99.99 H new ATOM 691 N TRP B 41 -7.325 -1.528 -9.510 1.00 99.99 N ATOM 692 CA TRP B 41 -6.211 -2.005 -10.319 1.00 99.99 C ATOM 693 C TRP B 41 -6.602 -3.314 -10.988 1.00 99.99 C ATOM 694 O TRP B 41 -6.316 -3.488 -12.146 1.00 99.99 O ATOM 695 CB TRP B 41 -4.953 -2.299 -9.489 1.00 99.99 C ATOM 696 CG TRP B 41 -3.745 -2.696 -10.318 1.00 99.99 C ATOM 697 CD1 TRP B 41 -2.932 -1.870 -11.031 1.00 99.99 C ATOM 698 CD2 TRP B 41 -3.308 -4.039 -10.589 1.00 99.99 C ATOM 699 NE1 TRP B 41 -1.962 -2.594 -11.665 1.00 99.99 N ATOM 700 CE2 TRP B 41 -2.196 -3.929 -11.444 1.00 99.99 C ATOM 701 CE3 TRP B 41 -3.780 -5.282 -10.155 1.00 99.99 C ATOM 702 CZ2 TRP B 41 -1.517 -5.060 -11.873 1.00 99.99 C ATOM 703 CZ3 TRP B 41 -3.101 -6.417 -10.602 1.00 99.99 C ATOM 704 CH2 TRP B 41 -1.983 -6.316 -11.448 1.00 99.99 C ATOM 0 H TRP B 41 -7.139 -1.525 -8.507 1.00 99.99 H new ATOM 0 HA TRP B 41 -5.990 -1.214 -11.035 1.00 99.99 H new ATOM 0 HB2 TRP B 41 -4.703 -1.415 -8.902 1.00 99.99 H new ATOM 0 HB3 TRP B 41 -5.175 -3.099 -8.783 1.00 99.99 H new ATOM 0 HD1 TRP B 41 -3.038 -0.797 -11.088 1.00 99.99 H new ATOM 0 HE1 TRP B 41 -1.192 -2.207 -12.211 1.00 99.99 H new ATOM 0 HE3 TRP B 41 -4.635 -5.361 -9.500 1.00 99.99 H new ATOM 0 HZ2 TRP B 41 -0.653 -4.978 -12.516 1.00 99.99 H new ATOM 0 HZ3 TRP B 41 -3.442 -7.393 -10.291 1.00 99.99 H new ATOM 0 HH2 TRP B 41 -1.477 -7.212 -11.775 1.00 99.99 H new ATOM 715 N ILE B 42 -7.205 -4.157 -10.268 1.00 99.99 N ATOM 716 CA ILE B 42 -7.614 -5.464 -10.772 1.00 99.99 C ATOM 717 C ILE B 42 -8.702 -5.279 -11.820 1.00 99.99 C ATOM 718 O ILE B 42 -8.655 -5.931 -12.833 1.00 99.99 O ATOM 719 CB ILE B 42 -8.210 -6.364 -9.684 1.00 99.99 C ATOM 720 CG1 ILE B 42 -7.100 -6.832 -8.714 1.00 99.99 C ATOM 721 CG2 ILE B 42 -8.924 -7.583 -10.308 1.00 99.99 C ATOM 722 CD1 ILE B 42 -7.625 -7.663 -7.533 1.00 99.99 C ATOM 0 H ILE B 42 -7.450 -3.992 -9.292 1.00 99.99 H new ATOM 0 HA ILE B 42 -6.715 -5.933 -11.172 1.00 99.99 H new ATOM 0 HB ILE B 42 -8.947 -5.786 -9.127 1.00 99.99 H new ATOM 0 HG12 ILE B 42 -6.371 -7.423 -9.268 1.00 99.99 H new ATOM 0 HG13 ILE B 42 -6.575 -5.959 -8.328 1.00 99.99 H new ATOM 0 HG21 ILE B 42 -9.339 -8.207 -9.516 1.00 99.99 H new ATOM 0 HG22 ILE B 42 -9.729 -7.240 -10.958 1.00 99.99 H new ATOM 0 HG23 ILE B 42 -8.209 -8.164 -10.891 1.00 99.99 H new ATOM 0 HD11 ILE B 42 -6.791 -7.956 -6.895 1.00 99.99 H new ATOM 0 HD12 ILE B 42 -8.332 -7.068 -6.955 1.00 99.99 H new ATOM 0 HD13 ILE B 42 -8.125 -8.555 -7.910 1.00 99.99 H new ATOM 734 N LEU B 43 -9.609 -4.444 -11.552 1.00 99.99 N ATOM 735 CA LEU B 43 -10.725 -4.189 -12.454 1.00 99.99 C ATOM 736 C LEU B 43 -10.197 -3.605 -13.757 1.00 99.99 C ATOM 737 O LEU B 43 -10.737 -3.900 -14.793 1.00 99.99 O ATOM 738 CB LEU B 43 -11.722 -3.165 -11.895 1.00 99.99 C ATOM 739 CG LEU B 43 -12.543 -3.670 -10.685 1.00 99.99 C ATOM 740 CD1 LEU B 43 -13.306 -2.502 -10.035 1.00 99.99 C ATOM 741 CD2 LEU B 43 -13.524 -4.785 -11.080 1.00 99.99 C ATOM 0 H LEU B 43 -9.631 -3.891 -10.696 1.00 99.99 H new ATOM 0 HA LEU B 43 -11.230 -5.145 -12.593 1.00 99.99 H new ATOM 0 HB2 LEU B 43 -11.177 -2.268 -11.600 1.00 99.99 H new ATOM 0 HB3 LEU B 43 -12.409 -2.874 -12.689 1.00 99.99 H new ATOM 0 HG LEU B 43 -11.840 -4.089 -9.966 1.00 99.99 H new ATOM 0 HD11 LEU B 43 -13.880 -2.871 -9.185 1.00 99.99 H new ATOM 0 HD12 LEU B 43 -12.596 -1.748 -9.694 1.00 99.99 H new ATOM 0 HD13 LEU B 43 -13.983 -2.059 -10.765 1.00 99.99 H new ATOM 0 HD21 LEU B 43 -14.079 -5.110 -10.200 1.00 99.99 H new ATOM 0 HD22 LEU B 43 -14.220 -4.409 -11.830 1.00 99.99 H new ATOM 0 HD23 LEU B 43 -12.970 -5.629 -11.491 1.00 99.99 H new ATOM 753 N ASP B 44 -9.211 -2.822 -13.666 1.00 99.99 N ATOM 754 CA ASP B 44 -8.621 -2.172 -14.828 1.00 99.99 C ATOM 755 C ASP B 44 -7.950 -3.220 -15.706 1.00 99.99 C ATOM 756 O ASP B 44 -8.046 -3.128 -16.905 1.00 99.99 O ATOM 757 CB ASP B 44 -7.531 -1.156 -14.458 1.00 99.99 C ATOM 758 CG ASP B 44 -6.978 -0.411 -15.688 1.00 99.99 C ATOM 759 OD1 ASP B 44 -7.743 0.368 -16.305 1.00 99.99 O ATOM 760 OD2 ASP B 44 -5.762 -0.566 -16.010 1.00 99.99 O ATOM 0 H ASP B 44 -8.757 -2.587 -12.783 1.00 99.99 H new ATOM 0 HA ASP B 44 -9.436 -1.655 -15.334 1.00 99.99 H new ATOM 0 HB2 ASP B 44 -7.938 -0.433 -13.751 1.00 99.99 H new ATOM 0 HB3 ASP B 44 -6.715 -1.672 -13.952 1.00 99.99 H new ATOM 765 N ARG B 45 -7.318 -4.134 -15.111 1.00 99.99 N ATOM 766 CA ARG B 45 -6.609 -5.188 -15.827 1.00 99.99 C ATOM 767 C ARG B 45 -7.611 -6.047 -16.585 1.00 99.99 C ATOM 768 O ARG B 45 -7.361 -6.375 -17.716 1.00 99.99 O ATOM 769 CB ARG B 45 -5.848 -6.138 -14.892 1.00 99.99 C ATOM 770 CG ARG B 45 -4.694 -5.459 -14.124 1.00 99.99 C ATOM 771 CD ARG B 45 -3.460 -5.198 -14.997 1.00 99.99 C ATOM 772 NE ARG B 45 -3.553 -3.802 -15.555 1.00 99.99 N ATOM 773 CZ ARG B 45 -2.877 -3.446 -16.664 1.00 99.99 C ATOM 774 NH1 ARG B 45 -2.072 -4.311 -17.306 1.00 99.99 N ATOM 775 NH2 ARG B 45 -2.997 -2.183 -17.105 1.00 99.99 N ATOM 0 H ARG B 45 -7.254 -4.206 -14.096 1.00 99.99 H new ATOM 0 HA ARG B 45 -5.900 -4.685 -16.485 1.00 99.99 H new ATOM 0 HB2 ARG B 45 -6.548 -6.566 -14.174 1.00 99.99 H new ATOM 0 HB3 ARG B 45 -5.446 -6.965 -15.477 1.00 99.99 H new ATOM 0 HG2 ARG B 45 -5.047 -4.513 -13.712 1.00 99.99 H new ATOM 0 HG3 ARG B 45 -4.408 -6.087 -13.280 1.00 99.99 H new ATOM 0 HD2 ARG B 45 -2.550 -5.310 -14.408 1.00 99.99 H new ATOM 0 HD3 ARG B 45 -3.408 -5.926 -15.806 1.00 99.99 H new ATOM 0 HE ARG B 45 -4.139 -3.113 -15.084 1.00 99.99 H new ATOM 0 HH11 ARG B 45 -1.962 -5.262 -16.955 1.00 99.99 H new ATOM 0 HH12 ARG B 45 -1.571 -4.016 -18.144 1.00 99.99 H new ATOM 0 HH21 ARG B 45 -3.589 -1.521 -16.602 1.00 99.99 H new ATOM 0 HH22 ARG B 45 -2.496 -1.885 -17.942 1.00 99.99 H new ATOM 789 N LEU B 46 -8.660 -6.370 -15.963 1.00 99.99 N ATOM 790 CA LEU B 46 -9.693 -7.209 -16.559 1.00 99.99 C ATOM 791 C LEU B 46 -10.357 -6.456 -17.701 1.00 99.99 C ATOM 792 O LEU B 46 -11.040 -5.456 -17.488 1.00 99.99 O ATOM 793 CB LEU B 46 -10.811 -7.573 -15.573 1.00 99.99 C ATOM 794 CG LEU B 46 -10.407 -8.346 -14.293 1.00 99.99 C ATOM 795 CD1 LEU B 46 -11.623 -8.388 -13.347 1.00 99.99 C ATOM 796 CD2 LEU B 46 -9.907 -9.767 -14.574 1.00 99.99 C ATOM 0 H LEU B 46 -8.864 -6.074 -15.009 1.00 99.99 H new ATOM 0 HA LEU B 46 -9.193 -8.120 -16.887 1.00 99.99 H new ATOM 0 HB2 LEU B 46 -11.305 -6.650 -15.268 1.00 99.99 H new ATOM 0 HB3 LEU B 46 -11.551 -8.169 -16.107 1.00 99.99 H new ATOM 0 HG LEU B 46 -9.570 -7.819 -13.835 1.00 99.99 H new ATOM 0 HD11 LEU B 46 -11.359 -8.929 -12.438 1.00 99.99 H new ATOM 0 HD12 LEU B 46 -11.920 -7.371 -13.091 1.00 99.99 H new ATOM 0 HD13 LEU B 46 -12.452 -8.894 -13.842 1.00 99.99 H new ATOM 0 HD21 LEU B 46 -9.641 -10.252 -13.635 1.00 99.99 H new ATOM 0 HD22 LEU B 46 -10.693 -10.338 -15.067 1.00 99.99 H new ATOM 0 HD23 LEU B 46 -9.030 -9.723 -15.220 1.00 99.99 H new ATOM 809 N SER C 22 -0.608 -10.412 18.988 1.00 99.99 N ATOM 810 CA SER C 22 -1.253 -10.116 17.676 1.00 99.99 C ATOM 811 C SER C 22 -1.594 -8.656 17.532 1.00 99.99 C ATOM 812 O SER C 22 -1.451 -7.869 18.469 1.00 99.99 O ATOM 813 CB SER C 22 -2.512 -11.011 17.446 1.00 99.99 C ATOM 814 OG SER C 22 -3.546 -10.784 18.402 1.00 99.99 O ATOM 0 HA SER C 22 -0.524 -10.356 16.902 1.00 99.99 H new ATOM 0 HB2 SER C 22 -2.904 -10.825 16.446 1.00 99.99 H new ATOM 0 HB3 SER C 22 -2.216 -12.059 17.483 1.00 99.99 H new ATOM 0 HG SER C 22 -4.307 -11.370 18.206 1.00 99.99 H new ATOM 819 N SER C 23 -2.065 -8.272 16.322 1.00 99.99 N ATOM 820 CA SER C 23 -2.542 -6.942 16.027 1.00 99.99 C ATOM 821 C SER C 23 -3.965 -7.113 15.559 1.00 99.99 C ATOM 822 O SER C 23 -4.560 -8.174 15.748 1.00 99.99 O ATOM 823 CB SER C 23 -1.685 -6.222 14.957 1.00 99.99 C ATOM 824 OG SER C 23 -0.357 -6.043 15.429 1.00 99.99 O ATOM 0 H SER C 23 -2.116 -8.905 15.524 1.00 99.99 H new ATOM 0 HA SER C 23 -2.475 -6.309 16.912 1.00 99.99 H new ATOM 0 HB2 SER C 23 -1.676 -6.805 14.036 1.00 99.99 H new ATOM 0 HB3 SER C 23 -2.127 -5.255 14.718 1.00 99.99 H new ATOM 0 HG SER C 23 0.175 -5.588 14.743 1.00 99.99 H new ATOM 830 N ASP C 24 -4.560 -6.051 14.958 1.00 99.99 N ATOM 831 CA ASP C 24 -5.963 -6.013 14.586 1.00 99.99 C ATOM 832 C ASP C 24 -6.101 -6.540 13.174 1.00 99.99 C ATOM 833 O ASP C 24 -5.150 -6.407 12.411 1.00 99.99 O ATOM 834 CB ASP C 24 -6.541 -4.571 14.628 1.00 99.99 C ATOM 835 CG ASP C 24 -6.488 -3.984 16.043 1.00 99.99 C ATOM 836 OD1 ASP C 24 -6.402 -4.765 17.029 1.00 99.99 O ATOM 837 OD2 ASP C 24 -6.544 -2.730 16.152 1.00 99.99 O ATOM 0 H ASP C 24 -4.056 -5.196 14.723 1.00 99.99 H new ATOM 0 HA ASP C 24 -6.517 -6.622 15.301 1.00 99.99 H new ATOM 0 HB2 ASP C 24 -5.978 -3.933 13.947 1.00 99.99 H new ATOM 0 HB3 ASP C 24 -7.573 -4.581 14.276 1.00 99.99 H new ATOM 842 N PRO C 25 -7.210 -7.156 12.756 1.00 99.99 N ATOM 843 CA PRO C 25 -7.248 -7.974 11.553 1.00 99.99 C ATOM 844 C PRO C 25 -7.246 -7.153 10.283 1.00 99.99 C ATOM 845 O PRO C 25 -6.856 -7.703 9.264 1.00 99.99 O ATOM 846 CB PRO C 25 -8.548 -8.787 11.676 1.00 99.99 C ATOM 847 CG PRO C 25 -9.427 -7.957 12.615 1.00 99.99 C ATOM 848 CD PRO C 25 -8.405 -7.350 13.574 1.00 99.99 C ATOM 0 HA PRO C 25 -6.359 -8.601 11.480 1.00 99.99 H new ATOM 0 HB2 PRO C 25 -9.024 -8.926 10.705 1.00 99.99 H new ATOM 0 HB3 PRO C 25 -8.359 -9.780 12.083 1.00 99.99 H new ATOM 0 HG2 PRO C 25 -9.984 -7.190 12.077 1.00 99.99 H new ATOM 0 HG3 PRO C 25 -10.158 -8.574 13.138 1.00 99.99 H new ATOM 0 HD2 PRO C 25 -8.760 -6.407 13.988 1.00 99.99 H new ATOM 0 HD3 PRO C 25 -8.207 -8.013 14.416 1.00 99.99 H new ATOM 856 N LEU C 26 -7.679 -5.872 10.322 1.00 99.99 N ATOM 857 CA LEU C 26 -7.644 -4.887 9.249 1.00 99.99 C ATOM 858 C LEU C 26 -6.201 -4.492 8.974 1.00 99.99 C ATOM 859 O LEU C 26 -5.832 -4.379 7.833 1.00 99.99 O ATOM 860 CB LEU C 26 -8.388 -3.591 9.600 1.00 99.99 C ATOM 861 CG LEU C 26 -8.216 -2.414 8.614 1.00 99.99 C ATOM 862 CD1 LEU C 26 -8.794 -2.713 7.229 1.00 99.99 C ATOM 863 CD2 LEU C 26 -8.839 -1.138 9.196 1.00 99.99 C ATOM 0 H LEU C 26 -8.089 -5.485 11.172 1.00 99.99 H new ATOM 0 HA LEU C 26 -8.125 -5.355 8.391 1.00 99.99 H new ATOM 0 HB2 LEU C 26 -9.451 -3.818 9.680 1.00 99.99 H new ATOM 0 HB3 LEU C 26 -8.057 -3.263 10.585 1.00 99.99 H new ATOM 0 HG LEU C 26 -7.145 -2.264 8.480 1.00 99.99 H new ATOM 0 HD11 LEU C 26 -8.645 -1.851 6.579 1.00 99.99 H new ATOM 0 HD12 LEU C 26 -8.289 -3.580 6.804 1.00 99.99 H new ATOM 0 HD13 LEU C 26 -9.860 -2.921 7.317 1.00 99.99 H new ATOM 0 HD21 LEU C 26 -8.711 -0.316 8.491 1.00 99.99 H new ATOM 0 HD22 LEU C 26 -9.902 -1.301 9.374 1.00 99.99 H new ATOM 0 HD23 LEU C 26 -8.347 -0.889 10.136 1.00 99.99 H new ATOM 875 N VAL C 27 -5.469 -4.296 9.984 1.00 99.99 N ATOM 876 CA VAL C 27 -4.073 -3.889 9.869 1.00 99.99 C ATOM 877 C VAL C 27 -3.254 -5.047 9.318 1.00 99.99 C ATOM 878 O VAL C 27 -2.457 -4.834 8.439 1.00 99.99 O ATOM 879 CB VAL C 27 -3.445 -3.520 11.220 1.00 99.99 C ATOM 880 CG1 VAL C 27 -1.943 -3.216 11.059 1.00 99.99 C ATOM 881 CG2 VAL C 27 -4.160 -2.280 11.799 1.00 99.99 C ATOM 0 H VAL C 27 -5.793 -4.406 10.945 1.00 99.99 H new ATOM 0 HA VAL C 27 -4.062 -3.016 9.217 1.00 99.99 H new ATOM 0 HB VAL C 27 -3.559 -4.366 11.898 1.00 99.99 H new ATOM 0 HG11 VAL C 27 -1.518 -2.957 12.029 1.00 99.99 H new ATOM 0 HG12 VAL C 27 -1.434 -4.095 10.663 1.00 99.99 H new ATOM 0 HG13 VAL C 27 -1.813 -2.381 10.371 1.00 99.99 H new ATOM 0 HG21 VAL C 27 -3.714 -2.018 12.758 1.00 99.99 H new ATOM 0 HG22 VAL C 27 -4.054 -1.443 11.109 1.00 99.99 H new ATOM 0 HG23 VAL C 27 -5.218 -2.502 11.939 1.00 99.99 H new ATOM 891 N VAL C 28 -3.461 -6.181 9.831 1.00 99.99 N ATOM 892 CA VAL C 28 -2.730 -7.373 9.418 1.00 99.99 C ATOM 893 C VAL C 28 -3.146 -7.753 8.006 1.00 99.99 C ATOM 894 O VAL C 28 -2.298 -8.061 7.207 1.00 99.99 O ATOM 895 CB VAL C 28 -3.024 -8.591 10.302 1.00 99.99 C ATOM 896 CG1 VAL C 28 -2.374 -9.868 9.731 1.00 99.99 C ATOM 897 CG2 VAL C 28 -2.515 -8.331 11.734 1.00 99.99 C ATOM 0 H VAL C 28 -4.148 -6.350 10.566 1.00 99.99 H new ATOM 0 HA VAL C 28 -1.671 -7.125 9.494 1.00 99.99 H new ATOM 0 HB VAL C 28 -4.103 -8.745 10.322 1.00 99.99 H new ATOM 0 HG11 VAL C 28 -2.601 -10.713 10.380 1.00 99.99 H new ATOM 0 HG12 VAL C 28 -2.767 -10.061 8.733 1.00 99.99 H new ATOM 0 HG13 VAL C 28 -1.294 -9.733 9.676 1.00 99.99 H new ATOM 0 HG21 VAL C 28 -2.726 -9.199 12.358 1.00 99.99 H new ATOM 0 HG22 VAL C 28 -1.440 -8.153 11.711 1.00 99.99 H new ATOM 0 HG23 VAL C 28 -3.019 -7.457 12.146 1.00 99.99 H new ATOM 907 N ALA C 29 -4.382 -7.730 7.757 1.00 99.99 N ATOM 908 CA ALA C 29 -4.925 -8.099 6.453 1.00 99.99 C ATOM 909 C ALA C 29 -4.365 -7.161 5.394 1.00 99.99 C ATOM 910 O ALA C 29 -4.015 -7.620 4.334 1.00 99.99 O ATOM 911 CB ALA C 29 -6.451 -7.968 6.382 1.00 99.99 C ATOM 0 H ALA C 29 -5.089 -7.455 8.439 1.00 99.99 H new ATOM 0 HA ALA C 29 -4.647 -9.140 6.289 1.00 99.99 H new ATOM 0 HB1 ALA C 29 -6.795 -8.256 5.389 1.00 99.99 H new ATOM 0 HB2 ALA C 29 -6.907 -8.620 7.127 1.00 99.99 H new ATOM 0 HB3 ALA C 29 -6.737 -6.935 6.580 1.00 99.99 H new ATOM 917 N ALA C 30 -4.308 -5.937 5.694 1.00 99.99 N ATOM 918 CA ALA C 30 -3.817 -4.927 4.765 1.00 99.99 C ATOM 919 C ALA C 30 -2.349 -5.186 4.466 1.00 99.99 C ATOM 920 O ALA C 30 -1.934 -4.980 3.352 1.00 99.99 O ATOM 921 CB ALA C 30 -3.896 -3.504 5.335 1.00 99.99 C ATOM 0 H ALA C 30 -4.597 -5.564 6.598 1.00 99.99 H new ATOM 0 HA ALA C 30 -4.447 -4.997 3.878 1.00 99.99 H new ATOM 0 HB1 ALA C 30 -3.517 -2.795 4.599 1.00 99.99 H new ATOM 0 HB2 ALA C 30 -4.933 -3.263 5.570 1.00 99.99 H new ATOM 0 HB3 ALA C 30 -3.295 -3.441 6.242 1.00 99.99 H new ATOM 927 N SER C 31 -1.645 -5.609 5.422 1.00 99.99 N ATOM 928 CA SER C 31 -0.218 -5.876 5.284 1.00 99.99 C ATOM 929 C SER C 31 -0.010 -6.972 4.249 1.00 99.99 C ATOM 930 O SER C 31 0.832 -6.823 3.398 1.00 99.99 O ATOM 931 CB SER C 31 0.426 -6.378 6.582 1.00 99.99 C ATOM 932 OG SER C 31 0.401 -5.365 7.585 1.00 99.99 O ATOM 0 H SER C 31 -2.014 -5.795 6.354 1.00 99.99 H new ATOM 0 HA SER C 31 0.243 -4.931 4.999 1.00 99.99 H new ATOM 0 HB2 SER C 31 -0.104 -7.262 6.938 1.00 99.99 H new ATOM 0 HB3 SER C 31 1.456 -6.680 6.389 1.00 99.99 H new ATOM 0 HG SER C 31 -0.525 -5.196 7.856 1.00 99.99 H new ATOM 938 N ILE C 32 -0.744 -7.994 4.353 1.00 99.99 N ATOM 939 CA ILE C 32 -0.634 -9.130 3.446 1.00 99.99 C ATOM 940 C ILE C 32 -1.028 -8.696 2.042 1.00 99.99 C ATOM 941 O ILE C 32 -0.423 -9.139 1.101 1.00 99.99 O ATOM 942 CB ILE C 32 -1.571 -10.285 3.822 1.00 99.99 C ATOM 943 CG1 ILE C 32 -1.155 -10.890 5.181 1.00 99.99 C ATOM 944 CG2 ILE C 32 -1.561 -11.378 2.732 1.00 99.99 C ATOM 945 CD1 ILE C 32 -2.233 -11.796 5.791 1.00 99.99 C ATOM 0 H ILE C 32 -1.461 -8.103 5.070 1.00 99.99 H new ATOM 0 HA ILE C 32 0.400 -9.471 3.507 1.00 99.99 H new ATOM 0 HB ILE C 32 -2.583 -9.889 3.904 1.00 99.99 H new ATOM 0 HG12 ILE C 32 -0.237 -11.464 5.051 1.00 99.99 H new ATOM 0 HG13 ILE C 32 -0.930 -10.083 5.878 1.00 99.99 H new ATOM 0 HG21 ILE C 32 -2.233 -12.186 3.021 1.00 99.99 H new ATOM 0 HG22 ILE C 32 -1.893 -10.951 1.786 1.00 99.99 H new ATOM 0 HG23 ILE C 32 -0.550 -11.769 2.619 1.00 99.99 H new ATOM 0 HD11 ILE C 32 -1.880 -12.190 6.744 1.00 99.99 H new ATOM 0 HD12 ILE C 32 -3.144 -11.220 5.951 1.00 99.99 H new ATOM 0 HD13 ILE C 32 -2.441 -12.623 5.111 1.00 99.99 H new ATOM 957 N ILE C 33 -1.989 -7.884 1.954 1.00 99.99 N ATOM 958 CA ILE C 33 -2.491 -7.403 0.671 1.00 99.99 C ATOM 959 C ILE C 33 -1.384 -6.651 -0.053 1.00 99.99 C ATOM 960 O ILE C 33 -1.188 -6.877 -1.220 1.00 99.99 O ATOM 961 CB ILE C 33 -3.658 -6.417 0.816 1.00 99.99 C ATOM 962 CG1 ILE C 33 -4.965 -7.226 1.007 1.00 99.99 C ATOM 963 CG2 ILE C 33 -3.770 -5.468 -0.391 1.00 99.99 C ATOM 964 CD1 ILE C 33 -6.151 -6.411 1.536 1.00 99.99 C ATOM 0 H ILE C 33 -2.483 -7.506 2.762 1.00 99.99 H new ATOM 0 HA ILE C 33 -2.831 -8.284 0.127 1.00 99.99 H new ATOM 0 HB ILE C 33 -3.478 -5.785 1.686 1.00 99.99 H new ATOM 0 HG12 ILE C 33 -5.244 -7.670 0.052 1.00 99.99 H new ATOM 0 HG13 ILE C 33 -4.770 -8.048 1.696 1.00 99.99 H new ATOM 0 HG21 ILE C 33 -4.610 -4.789 -0.243 1.00 99.99 H new ATOM 0 HG22 ILE C 33 -2.850 -4.892 -0.487 1.00 99.99 H new ATOM 0 HG23 ILE C 33 -3.930 -6.051 -1.298 1.00 99.99 H new ATOM 0 HD11 ILE C 33 -7.021 -7.059 1.638 1.00 99.99 H new ATOM 0 HD12 ILE C 33 -5.897 -5.988 2.508 1.00 99.99 H new ATOM 0 HD13 ILE C 33 -6.379 -5.605 0.838 1.00 99.99 H new ATOM 976 N GLY C 34 -0.727 -5.819 0.631 1.00 99.99 N ATOM 977 CA GLY C 34 0.347 -5.012 0.058 1.00 99.99 C ATOM 978 C GLY C 34 1.488 -5.920 -0.366 1.00 99.99 C ATOM 979 O GLY C 34 2.087 -5.672 -1.382 1.00 99.99 O ATOM 0 H GLY C 34 -0.892 -5.648 1.623 1.00 99.99 H new ATOM 0 HA2 GLY C 34 -0.023 -4.450 -0.799 1.00 99.99 H new ATOM 0 HA3 GLY C 34 0.699 -4.284 0.789 1.00 99.99 H new ATOM 983 N ILE C 35 1.424 -7.185 0.018 1.00 99.99 N ATOM 984 CA ILE C 35 2.444 -8.087 -0.509 1.00 99.99 C ATOM 985 C ILE C 35 1.905 -8.795 -1.741 1.00 99.99 C ATOM 986 O ILE C 35 2.599 -8.871 -2.723 1.00 99.99 O ATOM 987 CB ILE C 35 2.838 -9.188 0.485 1.00 99.99 C ATOM 988 CG1 ILE C 35 3.392 -8.563 1.790 1.00 99.99 C ATOM 989 CG2 ILE C 35 3.889 -10.120 -0.155 1.00 99.99 C ATOM 990 CD1 ILE C 35 3.524 -9.537 2.965 1.00 99.99 C ATOM 0 H ILE C 35 0.732 -7.593 0.646 1.00 99.99 H new ATOM 0 HA ILE C 35 3.315 -7.469 -0.725 1.00 99.99 H new ATOM 0 HB ILE C 35 1.953 -9.773 0.734 1.00 99.99 H new ATOM 0 HG12 ILE C 35 4.371 -8.132 1.582 1.00 99.99 H new ATOM 0 HG13 ILE C 35 2.739 -7.742 2.088 1.00 99.99 H new ATOM 0 HG21 ILE C 35 4.165 -10.899 0.555 1.00 99.99 H new ATOM 0 HG22 ILE C 35 3.471 -10.578 -1.052 1.00 99.99 H new ATOM 0 HG23 ILE C 35 4.774 -9.542 -0.421 1.00 99.99 H new ATOM 0 HD11 ILE C 35 3.919 -9.009 3.833 1.00 99.99 H new ATOM 0 HD12 ILE C 35 2.545 -9.950 3.207 1.00 99.99 H new ATOM 0 HD13 ILE C 35 4.202 -10.346 2.693 1.00 99.99 H new ATOM 1002 N LEU C 36 0.739 -9.269 -1.655 1.00 99.99 N ATOM 1003 CA LEU C 36 0.108 -9.997 -2.751 1.00 99.99 C ATOM 1004 C LEU C 36 -0.013 -9.078 -3.958 1.00 99.99 C ATOM 1005 O LEU C 36 0.276 -9.502 -5.048 1.00 99.99 O ATOM 1006 CB LEU C 36 -1.315 -10.463 -2.417 1.00 99.99 C ATOM 1007 CG LEU C 36 -2.086 -11.122 -3.580 1.00 99.99 C ATOM 1008 CD1 LEU C 36 -1.398 -12.415 -4.040 1.00 99.99 C ATOM 1009 CD2 LEU C 36 -3.546 -11.389 -3.190 1.00 99.99 C ATOM 0 H LEU C 36 0.155 -9.181 -0.824 1.00 99.99 H new ATOM 0 HA LEU C 36 0.735 -10.868 -2.943 1.00 99.99 H new ATOM 0 HB2 LEU C 36 -1.262 -11.172 -1.591 1.00 99.99 H new ATOM 0 HB3 LEU C 36 -1.887 -9.605 -2.065 1.00 99.99 H new ATOM 0 HG LEU C 36 -2.082 -10.425 -4.418 1.00 99.99 H new ATOM 0 HD11 LEU C 36 -1.964 -12.856 -4.860 1.00 99.99 H new ATOM 0 HD12 LEU C 36 -0.387 -12.189 -4.378 1.00 99.99 H new ATOM 0 HD13 LEU C 36 -1.354 -13.119 -3.209 1.00 99.99 H new ATOM 0 HD21 LEU C 36 -4.067 -11.854 -4.027 1.00 99.99 H new ATOM 0 HD22 LEU C 36 -3.576 -12.056 -2.328 1.00 99.99 H new ATOM 0 HD23 LEU C 36 -4.033 -10.447 -2.937 1.00 99.99 H new ATOM 1021 N HIS C 37 -0.461 -7.817 -3.772 1.00 99.99 N ATOM 1022 CA HIS C 37 -0.680 -6.857 -4.827 1.00 99.99 C ATOM 1023 C HIS C 37 0.623 -6.530 -5.505 1.00 99.99 C ATOM 1024 O HIS C 37 0.647 -6.180 -6.683 1.00 99.99 O ATOM 1025 CB HIS C 37 -1.306 -5.549 -4.285 1.00 99.99 C ATOM 1026 CG HIS C 37 -1.739 -4.580 -5.355 1.00 99.99 C ATOM 1027 ND1 HIS C 37 -2.004 -3.264 -5.090 1.00 99.99 N ATOM 1028 CD2 HIS C 37 -1.996 -4.781 -6.669 1.00 99.99 C ATOM 1029 CE1 HIS C 37 -2.399 -2.682 -6.214 1.00 99.99 C ATOM 1030 NE2 HIS C 37 -2.402 -3.582 -7.188 1.00 99.99 N ATOM 0 H HIS C 37 -0.681 -7.447 -2.847 1.00 99.99 H new ATOM 0 HA HIS C 37 -1.373 -7.305 -5.539 1.00 99.99 H new ATOM 0 HB2 HIS C 37 -2.169 -5.801 -3.668 1.00 99.99 H new ATOM 0 HB3 HIS C 37 -0.583 -5.056 -3.635 1.00 99.99 H new ATOM 0 HD2 HIS C 37 -1.899 -5.713 -7.206 1.00 99.99 H new ATOM 0 HE1 HIS C 37 -2.674 -1.643 -6.319 1.00 99.99 H new ATOM 0 HE2 HIS C 37 -2.663 -3.410 -8.159 1.00 99.99 H new ATOM 1038 N LEU C 38 1.748 -6.685 -4.765 1.00 99.99 N ATOM 1039 CA LEU C 38 3.085 -6.433 -5.290 1.00 99.99 C ATOM 1040 C LEU C 38 3.464 -7.546 -6.256 1.00 99.99 C ATOM 1041 O LEU C 38 3.975 -7.260 -7.308 1.00 99.99 O ATOM 1042 CB LEU C 38 4.165 -6.419 -4.200 1.00 99.99 C ATOM 1043 CG LEU C 38 5.592 -6.177 -4.749 1.00 99.99 C ATOM 1044 CD1 LEU C 38 5.697 -4.839 -5.492 1.00 99.99 C ATOM 1045 CD2 LEU C 38 6.653 -6.262 -3.651 1.00 99.99 C ATOM 0 H LEU C 38 1.739 -6.988 -3.791 1.00 99.99 H new ATOM 0 HA LEU C 38 3.046 -5.454 -5.767 1.00 99.99 H new ATOM 0 HB2 LEU C 38 3.927 -5.642 -3.474 1.00 99.99 H new ATOM 0 HB3 LEU C 38 4.145 -7.370 -3.668 1.00 99.99 H new ATOM 0 HG LEU C 38 5.786 -6.978 -5.463 1.00 99.99 H new ATOM 0 HD11 LEU C 38 6.714 -4.707 -5.862 1.00 99.99 H new ATOM 0 HD12 LEU C 38 5.002 -4.834 -6.332 1.00 99.99 H new ATOM 0 HD13 LEU C 38 5.450 -4.024 -4.811 1.00 99.99 H new ATOM 0 HD21 LEU C 38 7.638 -6.086 -4.083 1.00 99.99 H new ATOM 0 HD22 LEU C 38 6.450 -5.509 -2.890 1.00 99.99 H new ATOM 0 HD23 LEU C 38 6.628 -7.252 -3.197 1.00 99.99 H new ATOM 1057 N ILE C 39 3.218 -8.724 -5.882 1.00 99.99 N ATOM 1058 CA ILE C 39 3.553 -9.889 -6.694 1.00 99.99 C ATOM 1059 C ILE C 39 2.758 -9.841 -7.990 1.00 99.99 C ATOM 1060 O ILE C 39 3.316 -10.096 -9.029 1.00 99.99 O ATOM 1061 CB ILE C 39 3.193 -11.217 -6.014 1.00 99.99 C ATOM 1062 CG1 ILE C 39 4.092 -11.433 -4.776 1.00 99.99 C ATOM 1063 CG2 ILE C 39 3.350 -12.387 -7.008 1.00 99.99 C ATOM 1064 CD1 ILE C 39 3.688 -12.643 -3.922 1.00 99.99 C ATOM 0 H ILE C 39 2.771 -8.951 -4.994 1.00 99.99 H new ATOM 0 HA ILE C 39 4.630 -9.851 -6.855 1.00 99.99 H new ATOM 0 HB ILE C 39 2.153 -11.180 -5.690 1.00 99.99 H new ATOM 0 HG12 ILE C 39 5.123 -11.560 -5.105 1.00 99.99 H new ATOM 0 HG13 ILE C 39 4.063 -10.537 -4.156 1.00 99.99 H new ATOM 0 HG21 ILE C 39 3.091 -13.323 -6.512 1.00 99.99 H new ATOM 0 HG22 ILE C 39 2.687 -12.232 -7.860 1.00 99.99 H new ATOM 0 HG23 ILE C 39 4.382 -12.433 -7.355 1.00 99.99 H new ATOM 0 HD11 ILE C 39 4.364 -12.730 -3.072 1.00 99.99 H new ATOM 0 HD12 ILE C 39 2.668 -12.510 -3.562 1.00 99.99 H new ATOM 0 HD13 ILE C 39 3.745 -13.549 -4.525 1.00 99.99 H new ATOM 1076 N LEU C 40 1.539 -9.540 -7.895 1.00 99.99 N ATOM 1077 CA LEU C 40 0.653 -9.482 -9.051 1.00 99.99 C ATOM 1078 C LEU C 40 1.154 -8.419 -10.017 1.00 99.99 C ATOM 1079 O LEU C 40 1.169 -8.660 -11.198 1.00 99.99 O ATOM 1080 CB LEU C 40 -0.784 -9.091 -8.686 1.00 99.99 C ATOM 1081 CG LEU C 40 -1.590 -10.160 -7.915 1.00 99.99 C ATOM 1082 CD1 LEU C 40 -2.965 -9.586 -7.519 1.00 99.99 C ATOM 1083 CD2 LEU C 40 -1.775 -11.450 -8.726 1.00 99.99 C ATOM 0 H LEU C 40 1.082 -9.316 -7.011 1.00 99.99 H new ATOM 0 HA LEU C 40 0.653 -10.482 -9.484 1.00 99.99 H new ATOM 0 HB2 LEU C 40 -0.753 -8.182 -8.086 1.00 99.99 H new ATOM 0 HB3 LEU C 40 -1.320 -8.849 -9.604 1.00 99.99 H new ATOM 0 HG LEU C 40 -1.021 -10.419 -7.022 1.00 99.99 H new ATOM 0 HD11 LEU C 40 -3.532 -10.342 -6.975 1.00 99.99 H new ATOM 0 HD12 LEU C 40 -2.825 -8.711 -6.884 1.00 99.99 H new ATOM 0 HD13 LEU C 40 -3.512 -9.299 -8.417 1.00 99.99 H new ATOM 0 HD21 LEU C 40 -2.348 -12.169 -8.140 1.00 99.99 H new ATOM 0 HD22 LEU C 40 -2.310 -11.226 -9.649 1.00 99.99 H new ATOM 0 HD23 LEU C 40 -0.799 -11.872 -8.966 1.00 99.99 H new ATOM 1095 N TRP C 41 1.528 -7.325 -9.510 1.00 99.99 N ATOM 1096 CA TRP C 41 2.005 -6.211 -10.319 1.00 99.99 C ATOM 1097 C TRP C 41 3.314 -6.602 -10.988 1.00 99.99 C ATOM 1098 O TRP C 41 3.488 -6.316 -12.146 1.00 99.99 O ATOM 1099 CB TRP C 41 2.299 -4.953 -9.489 1.00 99.99 C ATOM 1100 CG TRP C 41 2.696 -3.745 -10.318 1.00 99.99 C ATOM 1101 CD1 TRP C 41 1.870 -2.932 -11.031 1.00 99.99 C ATOM 1102 CD2 TRP C 41 4.039 -3.308 -10.589 1.00 99.99 C ATOM 1103 NE1 TRP C 41 2.594 -1.962 -11.665 1.00 99.99 N ATOM 1104 CE2 TRP C 41 3.929 -2.196 -11.444 1.00 99.99 C ATOM 1105 CE3 TRP C 41 5.282 -3.780 -10.155 1.00 99.99 C ATOM 1106 CZ2 TRP C 41 5.060 -1.517 -11.873 1.00 99.99 C ATOM 1107 CZ3 TRP C 41 6.417 -3.101 -10.602 1.00 99.99 C ATOM 1108 CH2 TRP C 41 6.316 -1.983 -11.448 1.00 99.99 C ATOM 0 H TRP C 41 1.525 -7.139 -8.507 1.00 99.99 H new ATOM 0 HA TRP C 41 1.214 -5.990 -11.035 1.00 99.99 H new ATOM 0 HB2 TRP C 41 1.415 -4.703 -8.902 1.00 99.99 H new ATOM 0 HB3 TRP C 41 3.099 -5.175 -8.783 1.00 99.99 H new ATOM 0 HD1 TRP C 41 0.797 -3.038 -11.088 1.00 99.99 H new ATOM 0 HE1 TRP C 41 2.207 -1.192 -12.211 1.00 99.99 H new ATOM 0 HE3 TRP C 41 5.361 -4.635 -9.500 1.00 99.99 H new ATOM 0 HZ2 TRP C 41 4.978 -0.653 -12.516 1.00 99.99 H new ATOM 0 HZ3 TRP C 41 7.393 -3.442 -10.291 1.00 99.99 H new ATOM 0 HH2 TRP C 41 7.212 -1.477 -11.775 1.00 99.99 H new ATOM 1119 N ILE C 42 4.157 -7.205 -10.268 1.00 99.99 N ATOM 1120 CA ILE C 42 5.464 -7.614 -10.772 1.00 99.99 C ATOM 1121 C ILE C 42 5.279 -8.702 -11.820 1.00 99.99 C ATOM 1122 O ILE C 42 5.931 -8.655 -12.833 1.00 99.99 O ATOM 1123 CB ILE C 42 6.364 -8.210 -9.684 1.00 99.99 C ATOM 1124 CG1 ILE C 42 6.832 -7.100 -8.714 1.00 99.99 C ATOM 1125 CG2 ILE C 42 7.583 -8.924 -10.308 1.00 99.99 C ATOM 1126 CD1 ILE C 42 7.663 -7.625 -7.533 1.00 99.99 C ATOM 0 H ILE C 42 3.992 -7.450 -9.292 1.00 99.99 H new ATOM 0 HA ILE C 42 5.933 -6.715 -11.172 1.00 99.99 H new ATOM 0 HB ILE C 42 5.786 -8.947 -9.127 1.00 99.99 H new ATOM 0 HG12 ILE C 42 7.423 -6.371 -9.268 1.00 99.99 H new ATOM 0 HG13 ILE C 42 5.959 -6.575 -8.328 1.00 99.99 H new ATOM 0 HG21 ILE C 42 8.207 -9.339 -9.516 1.00 99.99 H new ATOM 0 HG22 ILE C 42 7.240 -9.729 -10.958 1.00 99.99 H new ATOM 0 HG23 ILE C 42 8.164 -8.209 -10.891 1.00 99.99 H new ATOM 0 HD11 ILE C 42 7.956 -6.791 -6.895 1.00 99.99 H new ATOM 0 HD12 ILE C 42 7.068 -8.332 -6.955 1.00 99.99 H new ATOM 0 HD13 ILE C 42 8.555 -8.125 -7.910 1.00 99.99 H new ATOM 1138 N LEU C 43 4.444 -9.609 -11.552 1.00 99.99 N ATOM 1139 CA LEU C 43 4.189 -10.725 -12.454 1.00 99.99 C ATOM 1140 C LEU C 43 3.605 -10.197 -13.757 1.00 99.99 C ATOM 1141 O LEU C 43 3.900 -10.737 -14.793 1.00 99.99 O ATOM 1142 CB LEU C 43 3.165 -11.722 -11.895 1.00 99.99 C ATOM 1143 CG LEU C 43 3.670 -12.543 -10.685 1.00 99.99 C ATOM 1144 CD1 LEU C 43 2.502 -13.306 -10.035 1.00 99.99 C ATOM 1145 CD2 LEU C 43 4.785 -13.524 -11.080 1.00 99.99 C ATOM 0 H LEU C 43 3.891 -9.631 -10.696 1.00 99.99 H new ATOM 0 HA LEU C 43 5.145 -11.230 -12.593 1.00 99.99 H new ATOM 0 HB2 LEU C 43 2.268 -11.177 -11.600 1.00 99.99 H new ATOM 0 HB3 LEU C 43 2.874 -12.409 -12.689 1.00 99.99 H new ATOM 0 HG LEU C 43 4.089 -11.840 -9.966 1.00 99.99 H new ATOM 0 HD11 LEU C 43 2.871 -13.880 -9.185 1.00 99.99 H new ATOM 0 HD12 LEU C 43 1.748 -12.596 -9.694 1.00 99.99 H new ATOM 0 HD13 LEU C 43 2.059 -13.983 -10.765 1.00 99.99 H new ATOM 0 HD21 LEU C 43 5.110 -14.079 -10.200 1.00 99.99 H new ATOM 0 HD22 LEU C 43 4.409 -14.220 -11.830 1.00 99.99 H new ATOM 0 HD23 LEU C 43 5.629 -12.970 -11.491 1.00 99.99 H new ATOM 1157 N ASP C 44 2.822 -9.211 -13.666 1.00 99.99 N ATOM 1158 CA ASP C 44 2.172 -8.621 -14.828 1.00 99.99 C ATOM 1159 C ASP C 44 3.220 -7.950 -15.706 1.00 99.99 C ATOM 1160 O ASP C 44 3.128 -8.046 -16.905 1.00 99.99 O ATOM 1161 CB ASP C 44 1.156 -7.531 -14.458 1.00 99.99 C ATOM 1162 CG ASP C 44 0.411 -6.978 -15.688 1.00 99.99 C ATOM 1163 OD1 ASP C 44 -0.368 -7.743 -16.305 1.00 99.99 O ATOM 1164 OD2 ASP C 44 0.566 -5.762 -16.010 1.00 99.99 O ATOM 0 H ASP C 44 2.587 -8.757 -12.783 1.00 99.99 H new ATOM 0 HA ASP C 44 1.655 -9.436 -15.334 1.00 99.99 H new ATOM 0 HB2 ASP C 44 0.433 -7.938 -13.751 1.00 99.99 H new ATOM 0 HB3 ASP C 44 1.672 -6.715 -13.952 1.00 99.99 H new ATOM 1169 N ARG C 45 4.134 -7.318 -15.111 1.00 99.99 N ATOM 1170 CA ARG C 45 5.188 -6.609 -15.827 1.00 99.99 C ATOM 1171 C ARG C 45 6.047 -7.611 -16.585 1.00 99.99 C ATOM 1172 O ARG C 45 6.375 -7.361 -17.716 1.00 99.99 O ATOM 1173 CB ARG C 45 6.138 -5.848 -14.892 1.00 99.99 C ATOM 1174 CG ARG C 45 5.459 -4.694 -14.124 1.00 99.99 C ATOM 1175 CD ARG C 45 5.198 -3.460 -14.997 1.00 99.99 C ATOM 1176 NE ARG C 45 3.802 -3.553 -15.555 1.00 99.99 N ATOM 1177 CZ ARG C 45 3.446 -2.877 -16.664 1.00 99.99 C ATOM 1178 NH1 ARG C 45 4.311 -2.072 -17.306 1.00 99.99 N ATOM 1179 NH2 ARG C 45 2.183 -2.997 -17.105 1.00 99.99 N ATOM 0 H ARG C 45 4.206 -7.254 -14.096 1.00 99.99 H new ATOM 0 HA ARG C 45 4.685 -5.900 -16.485 1.00 99.99 H new ATOM 0 HB2 ARG C 45 6.566 -6.548 -14.174 1.00 99.99 H new ATOM 0 HB3 ARG C 45 6.965 -5.446 -15.477 1.00 99.99 H new ATOM 0 HG2 ARG C 45 4.513 -5.047 -13.712 1.00 99.99 H new ATOM 0 HG3 ARG C 45 6.087 -4.408 -13.280 1.00 99.99 H new ATOM 0 HD2 ARG C 45 5.310 -2.550 -14.408 1.00 99.99 H new ATOM 0 HD3 ARG C 45 5.926 -3.408 -15.806 1.00 99.99 H new ATOM 0 HE ARG C 45 3.113 -4.139 -15.084 1.00 99.99 H new ATOM 0 HH11 ARG C 45 5.262 -1.962 -16.955 1.00 99.99 H new ATOM 0 HH12 ARG C 45 4.016 -1.571 -18.144 1.00 99.99 H new ATOM 0 HH21 ARG C 45 1.521 -3.589 -16.602 1.00 99.99 H new ATOM 0 HH22 ARG C 45 1.885 -2.496 -17.942 1.00 99.99 H new ATOM 1193 N LEU C 46 6.370 -8.660 -15.963 1.00 99.99 N ATOM 1194 CA LEU C 46 7.209 -9.693 -16.559 1.00 99.99 C ATOM 1195 C LEU C 46 6.456 -10.357 -17.701 1.00 99.99 C ATOM 1196 O LEU C 46 5.456 -11.040 -17.488 1.00 99.99 O ATOM 1197 CB LEU C 46 7.573 -10.811 -15.573 1.00 99.99 C ATOM 1198 CG LEU C 46 8.346 -10.407 -14.293 1.00 99.99 C ATOM 1199 CD1 LEU C 46 8.388 -11.623 -13.347 1.00 99.99 C ATOM 1200 CD2 LEU C 46 9.767 -9.907 -14.574 1.00 99.99 C ATOM 0 H LEU C 46 6.074 -8.864 -15.009 1.00 99.99 H new ATOM 0 HA LEU C 46 8.120 -9.193 -16.887 1.00 99.99 H new ATOM 0 HB2 LEU C 46 6.650 -11.305 -15.268 1.00 99.99 H new ATOM 0 HB3 LEU C 46 8.169 -11.551 -16.107 1.00 99.99 H new ATOM 0 HG LEU C 46 7.819 -9.570 -13.835 1.00 99.99 H new ATOM 0 HD11 LEU C 46 8.929 -11.359 -12.438 1.00 99.99 H new ATOM 0 HD12 LEU C 46 7.371 -11.920 -13.091 1.00 99.99 H new ATOM 0 HD13 LEU C 46 8.894 -12.452 -13.842 1.00 99.99 H new ATOM 0 HD21 LEU C 46 10.252 -9.641 -13.635 1.00 99.99 H new ATOM 0 HD22 LEU C 46 10.338 -10.693 -15.067 1.00 99.99 H new ATOM 0 HD23 LEU C 46 9.723 -9.030 -15.220 1.00 99.99 H new ATOM 1213 N SER D 22 10.412 -0.608 18.988 1.00 99.99 N ATOM 1214 CA SER D 22 10.116 -1.253 17.676 1.00 99.99 C ATOM 1215 C SER D 22 8.656 -1.594 17.532 1.00 99.99 C ATOM 1216 O SER D 22 7.869 -1.451 18.469 1.00 99.99 O ATOM 1217 CB SER D 22 11.011 -2.512 17.446 1.00 99.99 C ATOM 1218 OG SER D 22 10.784 -3.546 18.402 1.00 99.99 O ATOM 0 HA SER D 22 10.356 -0.524 16.902 1.00 99.99 H new ATOM 0 HB2 SER D 22 10.825 -2.904 16.446 1.00 99.99 H new ATOM 0 HB3 SER D 22 12.059 -2.216 17.483 1.00 99.99 H new ATOM 0 HG SER D 22 11.370 -4.307 18.206 1.00 99.99 H new ATOM 1223 N SER D 23 8.272 -2.065 16.322 1.00 99.99 N ATOM 1224 CA SER D 23 6.942 -2.542 16.027 1.00 99.99 C ATOM 1225 C SER D 23 7.113 -3.965 15.559 1.00 99.99 C ATOM 1226 O SER D 23 8.174 -4.560 15.748 1.00 99.99 O ATOM 1227 CB SER D 23 6.222 -1.685 14.957 1.00 99.99 C ATOM 1228 OG SER D 23 6.043 -0.357 15.429 1.00 99.99 O ATOM 0 H SER D 23 8.905 -2.116 15.524 1.00 99.99 H new ATOM 0 HA SER D 23 6.309 -2.475 16.912 1.00 99.99 H new ATOM 0 HB2 SER D 23 6.805 -1.676 14.036 1.00 99.99 H new ATOM 0 HB3 SER D 23 5.255 -2.127 14.718 1.00 99.99 H new ATOM 0 HG SER D 23 5.588 0.175 14.743 1.00 99.99 H new ATOM 1234 N ASP D 24 6.051 -4.560 14.958 1.00 99.99 N ATOM 1235 CA ASP D 24 6.013 -5.963 14.586 1.00 99.99 C ATOM 1236 C ASP D 24 6.540 -6.101 13.174 1.00 99.99 C ATOM 1237 O ASP D 24 6.407 -5.150 12.411 1.00 99.99 O ATOM 1238 CB ASP D 24 4.571 -6.541 14.628 1.00 99.99 C ATOM 1239 CG ASP D 24 3.984 -6.488 16.043 1.00 99.99 C ATOM 1240 OD1 ASP D 24 4.765 -6.402 17.029 1.00 99.99 O ATOM 1241 OD2 ASP D 24 2.730 -6.544 16.152 1.00 99.99 O ATOM 0 H ASP D 24 5.196 -4.056 14.723 1.00 99.99 H new ATOM 0 HA ASP D 24 6.622 -6.517 15.301 1.00 99.99 H new ATOM 0 HB2 ASP D 24 3.933 -5.978 13.947 1.00 99.99 H new ATOM 0 HB3 ASP D 24 4.581 -7.573 14.276 1.00 99.99 H new ATOM 1246 N PRO D 25 7.156 -7.210 12.756 1.00 99.99 N ATOM 1247 CA PRO D 25 7.974 -7.248 11.553 1.00 99.99 C ATOM 1248 C PRO D 25 7.153 -7.246 10.283 1.00 99.99 C ATOM 1249 O PRO D 25 7.703 -6.856 9.264 1.00 99.99 O ATOM 1250 CB PRO D 25 8.787 -8.548 11.676 1.00 99.99 C ATOM 1251 CG PRO D 25 7.957 -9.427 12.615 1.00 99.99 C ATOM 1252 CD PRO D 25 7.350 -8.405 13.574 1.00 99.99 C ATOM 0 HA PRO D 25 8.601 -6.359 11.480 1.00 99.99 H new ATOM 0 HB2 PRO D 25 8.926 -9.024 10.705 1.00 99.99 H new ATOM 0 HB3 PRO D 25 9.780 -8.359 12.083 1.00 99.99 H new ATOM 0 HG2 PRO D 25 7.190 -9.984 12.077 1.00 99.99 H new ATOM 0 HG3 PRO D 25 8.574 -10.158 13.138 1.00 99.99 H new ATOM 0 HD2 PRO D 25 6.407 -8.760 13.988 1.00 99.99 H new ATOM 0 HD3 PRO D 25 8.013 -8.207 14.416 1.00 99.99 H new ATOM 1260 N LEU D 26 5.872 -7.679 10.322 1.00 99.99 N ATOM 1261 CA LEU D 26 4.887 -7.644 9.249 1.00 99.99 C ATOM 1262 C LEU D 26 4.492 -6.201 8.974 1.00 99.99 C ATOM 1263 O LEU D 26 4.379 -5.832 7.833 1.00 99.99 O ATOM 1264 CB LEU D 26 3.591 -8.388 9.600 1.00 99.99 C ATOM 1265 CG LEU D 26 2.414 -8.216 8.614 1.00 99.99 C ATOM 1266 CD1 LEU D 26 2.713 -8.794 7.229 1.00 99.99 C ATOM 1267 CD2 LEU D 26 1.138 -8.839 9.196 1.00 99.99 C ATOM 0 H LEU D 26 5.485 -8.089 11.172 1.00 99.99 H new ATOM 0 HA LEU D 26 5.355 -8.125 8.391 1.00 99.99 H new ATOM 0 HB2 LEU D 26 3.818 -9.451 9.680 1.00 99.99 H new ATOM 0 HB3 LEU D 26 3.263 -8.057 10.585 1.00 99.99 H new ATOM 0 HG LEU D 26 2.264 -7.145 8.480 1.00 99.99 H new ATOM 0 HD11 LEU D 26 1.851 -8.645 6.579 1.00 99.99 H new ATOM 0 HD12 LEU D 26 3.580 -8.289 6.804 1.00 99.99 H new ATOM 0 HD13 LEU D 26 2.921 -9.860 7.317 1.00 99.99 H new ATOM 0 HD21 LEU D 26 0.316 -8.711 8.491 1.00 99.99 H new ATOM 0 HD22 LEU D 26 1.301 -9.902 9.374 1.00 99.99 H new ATOM 0 HD23 LEU D 26 0.889 -8.347 10.136 1.00 99.99 H new ATOM 1279 N VAL D 27 4.296 -5.469 9.984 1.00 99.99 N ATOM 1280 CA VAL D 27 3.889 -4.073 9.869 1.00 99.99 C ATOM 1281 C VAL D 27 5.047 -3.254 9.318 1.00 99.99 C ATOM 1282 O VAL D 27 4.834 -2.457 8.439 1.00 99.99 O ATOM 1283 CB VAL D 27 3.520 -3.445 11.220 1.00 99.99 C ATOM 1284 CG1 VAL D 27 3.216 -1.943 11.059 1.00 99.99 C ATOM 1285 CG2 VAL D 27 2.280 -4.160 11.799 1.00 99.99 C ATOM 0 H VAL D 27 4.406 -5.793 10.945 1.00 99.99 H new ATOM 0 HA VAL D 27 3.016 -4.062 9.217 1.00 99.99 H new ATOM 0 HB VAL D 27 4.366 -3.559 11.898 1.00 99.99 H new ATOM 0 HG11 VAL D 27 2.957 -1.518 12.029 1.00 99.99 H new ATOM 0 HG12 VAL D 27 4.095 -1.434 10.663 1.00 99.99 H new ATOM 0 HG13 VAL D 27 2.381 -1.813 10.371 1.00 99.99 H new ATOM 0 HG21 VAL D 27 2.018 -3.714 12.758 1.00 99.99 H new ATOM 0 HG22 VAL D 27 1.443 -4.054 11.109 1.00 99.99 H new ATOM 0 HG23 VAL D 27 2.502 -5.218 11.939 1.00 99.99 H new ATOM 1295 N VAL D 28 6.181 -3.461 9.831 1.00 99.99 N ATOM 1296 CA VAL D 28 7.373 -2.730 9.418 1.00 99.99 C ATOM 1297 C VAL D 28 7.753 -3.146 8.006 1.00 99.99 C ATOM 1298 O VAL D 28 8.061 -2.298 7.207 1.00 99.99 O ATOM 1299 CB VAL D 28 8.591 -3.024 10.302 1.00 99.99 C ATOM 1300 CG1 VAL D 28 9.868 -2.374 9.731 1.00 99.99 C ATOM 1301 CG2 VAL D 28 8.331 -2.515 11.734 1.00 99.99 C ATOM 0 H VAL D 28 6.350 -4.148 10.566 1.00 99.99 H new ATOM 0 HA VAL D 28 7.125 -1.671 9.494 1.00 99.99 H new ATOM 0 HB VAL D 28 8.745 -4.103 10.322 1.00 99.99 H new ATOM 0 HG11 VAL D 28 10.713 -2.601 10.380 1.00 99.99 H new ATOM 0 HG12 VAL D 28 10.061 -2.767 8.733 1.00 99.99 H new ATOM 0 HG13 VAL D 28 9.733 -1.294 9.676 1.00 99.99 H new ATOM 0 HG21 VAL D 28 9.199 -2.726 12.358 1.00 99.99 H new ATOM 0 HG22 VAL D 28 8.153 -1.440 11.711 1.00 99.99 H new ATOM 0 HG23 VAL D 28 7.457 -3.019 12.146 1.00 99.99 H new ATOM 1311 N ALA D 29 7.730 -4.382 7.757 1.00 99.99 N ATOM 1312 CA ALA D 29 8.099 -4.925 6.453 1.00 99.99 C ATOM 1313 C ALA D 29 7.161 -4.365 5.394 1.00 99.99 C ATOM 1314 O ALA D 29 7.620 -4.015 4.334 1.00 99.99 O ATOM 1315 CB ALA D 29 7.968 -6.451 6.382 1.00 99.99 C ATOM 0 H ALA D 29 7.455 -5.089 8.439 1.00 99.99 H new ATOM 0 HA ALA D 29 9.140 -4.647 6.289 1.00 99.99 H new ATOM 0 HB1 ALA D 29 8.256 -6.795 5.389 1.00 99.99 H new ATOM 0 HB2 ALA D 29 8.620 -6.907 7.127 1.00 99.99 H new ATOM 0 HB3 ALA D 29 6.935 -6.737 6.580 1.00 99.99 H new ATOM 1321 N ALA D 30 5.937 -4.308 5.694 1.00 99.99 N ATOM 1322 CA ALA D 30 4.927 -3.817 4.765 1.00 99.99 C ATOM 1323 C ALA D 30 5.186 -2.349 4.466 1.00 99.99 C ATOM 1324 O ALA D 30 4.980 -1.934 3.352 1.00 99.99 O ATOM 1325 CB ALA D 30 3.504 -3.896 5.335 1.00 99.99 C ATOM 0 H ALA D 30 5.564 -4.597 6.598 1.00 99.99 H new ATOM 0 HA ALA D 30 4.997 -4.447 3.878 1.00 99.99 H new ATOM 0 HB1 ALA D 30 2.795 -3.517 4.599 1.00 99.99 H new ATOM 0 HB2 ALA D 30 3.263 -4.933 5.570 1.00 99.99 H new ATOM 0 HB3 ALA D 30 3.441 -3.295 6.242 1.00 99.99 H new ATOM 1331 N SER D 31 5.609 -1.645 5.422 1.00 99.99 N ATOM 1332 CA SER D 31 5.876 -0.218 5.284 1.00 99.99 C ATOM 1333 C SER D 31 6.972 -0.010 4.249 1.00 99.99 C ATOM 1334 O SER D 31 6.823 0.832 3.398 1.00 99.99 O ATOM 1335 CB SER D 31 6.378 0.426 6.582 1.00 99.99 C ATOM 1336 OG SER D 31 5.365 0.401 7.585 1.00 99.99 O ATOM 0 H SER D 31 5.795 -2.014 6.354 1.00 99.99 H new ATOM 0 HA SER D 31 4.931 0.243 4.999 1.00 99.99 H new ATOM 0 HB2 SER D 31 7.262 -0.104 6.938 1.00 99.99 H new ATOM 0 HB3 SER D 31 6.680 1.456 6.389 1.00 99.99 H new ATOM 0 HG SER D 31 5.207 -0.524 7.868 1.00 99.99 H new ATOM 1342 N ILE D 32 7.994 -0.744 4.353 1.00 99.99 N ATOM 1343 CA ILE D 32 9.130 -0.634 3.446 1.00 99.99 C ATOM 1344 C ILE D 32 8.696 -1.028 2.042 1.00 99.99 C ATOM 1345 O ILE D 32 9.139 -0.423 1.101 1.00 99.99 O ATOM 1346 CB ILE D 32 10.285 -1.571 3.822 1.00 99.99 C ATOM 1347 CG1 ILE D 32 10.890 -1.155 5.181 1.00 99.99 C ATOM 1348 CG2 ILE D 32 11.378 -1.561 2.732 1.00 99.99 C ATOM 1349 CD1 ILE D 32 11.796 -2.233 5.791 1.00 99.99 C ATOM 0 H ILE D 32 8.103 -1.461 5.070 1.00 99.99 H new ATOM 0 HA ILE D 32 9.471 0.400 3.507 1.00 99.99 H new ATOM 0 HB ILE D 32 9.889 -2.583 3.904 1.00 99.99 H new ATOM 0 HG12 ILE D 32 11.464 -0.237 5.051 1.00 99.99 H new ATOM 0 HG13 ILE D 32 10.083 -0.930 5.878 1.00 99.99 H new ATOM 0 HG21 ILE D 32 12.186 -2.233 3.021 1.00 99.99 H new ATOM 0 HG22 ILE D 32 10.951 -1.893 1.786 1.00 99.99 H new ATOM 0 HG23 ILE D 32 11.769 -0.550 2.619 1.00 99.99 H new ATOM 0 HD11 ILE D 32 12.190 -1.880 6.744 1.00 99.99 H new ATOM 0 HD12 ILE D 32 11.220 -3.144 5.951 1.00 99.99 H new ATOM 0 HD13 ILE D 32 12.623 -2.441 5.111 1.00 99.99 H new ATOM 1361 N ILE D 33 7.884 -1.989 1.954 1.00 99.99 N ATOM 1362 CA ILE D 33 7.403 -2.491 0.671 1.00 99.99 C ATOM 1363 C ILE D 33 6.651 -1.384 -0.053 1.00 99.99 C ATOM 1364 O ILE D 33 6.877 -1.188 -1.220 1.00 99.99 O ATOM 1365 CB ILE D 33 6.417 -3.658 0.816 1.00 99.99 C ATOM 1366 CG1 ILE D 33 7.226 -4.965 1.007 1.00 99.99 C ATOM 1367 CG2 ILE D 33 5.468 -3.770 -0.391 1.00 99.99 C ATOM 1368 CD1 ILE D 33 6.411 -6.151 1.536 1.00 99.99 C ATOM 0 H ILE D 33 7.506 -2.483 2.762 1.00 99.99 H new ATOM 0 HA ILE D 33 8.284 -2.831 0.127 1.00 99.99 H new ATOM 0 HB ILE D 33 5.785 -3.478 1.686 1.00 99.99 H new ATOM 0 HG12 ILE D 33 7.670 -5.244 0.052 1.00 99.99 H new ATOM 0 HG13 ILE D 33 8.048 -4.770 1.696 1.00 99.99 H new ATOM 0 HG21 ILE D 33 4.789 -4.610 -0.243 1.00 99.99 H new ATOM 0 HG22 ILE D 33 4.892 -2.850 -0.487 1.00 99.99 H new ATOM 0 HG23 ILE D 33 6.051 -3.930 -1.298 1.00 99.99 H new ATOM 0 HD11 ILE D 33 7.059 -7.021 1.638 1.00 99.99 H new ATOM 0 HD12 ILE D 33 5.988 -5.897 2.508 1.00 99.99 H new ATOM 0 HD13 ILE D 33 5.605 -6.379 0.838 1.00 99.99 H new ATOM 1380 N GLY D 34 5.819 -0.727 0.631 1.00 99.99 N ATOM 1381 CA GLY D 34 5.012 0.347 0.058 1.00 99.99 C ATOM 1382 C GLY D 34 5.920 1.488 -0.366 1.00 99.99 C ATOM 1383 O GLY D 34 5.672 2.087 -1.382 1.00 99.99 O ATOM 0 H GLY D 34 5.648 -0.892 1.623 1.00 99.99 H new ATOM 0 HA2 GLY D 34 4.450 -0.023 -0.799 1.00 99.99 H new ATOM 0 HA3 GLY D 34 4.284 0.699 0.789 1.00 99.99 H new ATOM 1387 N ILE D 35 7.185 1.424 0.018 1.00 99.99 N ATOM 1388 CA ILE D 35 8.087 2.444 -0.509 1.00 99.99 C ATOM 1389 C ILE D 35 8.795 1.905 -1.741 1.00 99.99 C ATOM 1390 O ILE D 35 8.871 2.599 -2.723 1.00 99.99 O ATOM 1391 CB ILE D 35 9.188 2.838 0.485 1.00 99.99 C ATOM 1392 CG1 ILE D 35 8.563 3.392 1.790 1.00 99.99 C ATOM 1393 CG2 ILE D 35 10.120 3.889 -0.155 1.00 99.99 C ATOM 1394 CD1 ILE D 35 9.537 3.524 2.965 1.00 99.99 C ATOM 0 H ILE D 35 7.593 0.732 0.646 1.00 99.99 H new ATOM 0 HA ILE D 35 7.469 3.315 -0.725 1.00 99.99 H new ATOM 0 HB ILE D 35 9.773 1.953 0.734 1.00 99.99 H new ATOM 0 HG12 ILE D 35 8.132 4.371 1.582 1.00 99.99 H new ATOM 0 HG13 ILE D 35 7.742 2.739 2.088 1.00 99.99 H new ATOM 0 HG21 ILE D 35 10.899 4.165 0.555 1.00 99.99 H new ATOM 0 HG22 ILE D 35 10.578 3.471 -1.052 1.00 99.99 H new ATOM 0 HG23 ILE D 35 9.542 4.774 -0.421 1.00 99.99 H new ATOM 0 HD11 ILE D 35 9.009 3.919 3.833 1.00 99.99 H new ATOM 0 HD12 ILE D 35 9.950 2.545 3.207 1.00 99.99 H new ATOM 0 HD13 ILE D 35 10.346 4.202 2.693 1.00 99.99 H new ATOM 1406 N LEU D 36 9.269 0.739 -1.655 1.00 99.99 N ATOM 1407 CA LEU D 36 9.997 0.108 -2.751 1.00 99.99 C ATOM 1408 C LEU D 36 9.078 -0.013 -3.958 1.00 99.99 C ATOM 1409 O LEU D 36 9.502 0.276 -5.048 1.00 99.99 O ATOM 1410 CB LEU D 36 10.463 -1.315 -2.417 1.00 99.99 C ATOM 1411 CG LEU D 36 11.122 -2.086 -3.580 1.00 99.99 C ATOM 1412 CD1 LEU D 36 12.415 -1.398 -4.040 1.00 99.99 C ATOM 1413 CD2 LEU D 36 11.389 -3.546 -3.190 1.00 99.99 C ATOM 0 H LEU D 36 9.181 0.155 -0.824 1.00 99.99 H new ATOM 0 HA LEU D 36 10.868 0.735 -2.943 1.00 99.99 H new ATOM 0 HB2 LEU D 36 11.172 -1.262 -1.591 1.00 99.99 H new ATOM 0 HB3 LEU D 36 9.605 -1.887 -2.065 1.00 99.99 H new ATOM 0 HG LEU D 36 10.425 -2.082 -4.418 1.00 99.99 H new ATOM 0 HD11 LEU D 36 12.856 -1.964 -4.860 1.00 99.99 H new ATOM 0 HD12 LEU D 36 12.189 -0.387 -4.378 1.00 99.99 H new ATOM 0 HD13 LEU D 36 13.119 -1.354 -3.209 1.00 99.99 H new ATOM 0 HD21 LEU D 36 11.854 -4.067 -4.027 1.00 99.99 H new ATOM 0 HD22 LEU D 36 12.056 -3.576 -2.328 1.00 99.99 H new ATOM 0 HD23 LEU D 36 10.447 -4.033 -2.937 1.00 99.99 H new ATOM 1425 N HIS D 37 7.817 -0.461 -3.772 1.00 99.99 N ATOM 1426 CA HIS D 37 6.857 -0.680 -4.827 1.00 99.99 C ATOM 1427 C HIS D 37 6.530 0.623 -5.505 1.00 99.99 C ATOM 1428 O HIS D 37 6.180 0.647 -6.683 1.00 99.99 O ATOM 1429 CB HIS D 37 5.549 -1.306 -4.285 1.00 99.99 C ATOM 1430 CG HIS D 37 4.580 -1.739 -5.355 1.00 99.99 C ATOM 1431 ND1 HIS D 37 3.264 -2.004 -5.090 1.00 99.99 N ATOM 1432 CD2 HIS D 37 4.781 -1.996 -6.669 1.00 99.99 C ATOM 1433 CE1 HIS D 37 2.682 -2.399 -6.214 1.00 99.99 C ATOM 1434 NE2 HIS D 37 3.582 -2.402 -7.188 1.00 99.99 N ATOM 0 H HIS D 37 7.447 -0.681 -2.847 1.00 99.99 H new ATOM 0 HA HIS D 37 7.305 -1.373 -5.539 1.00 99.99 H new ATOM 0 HB2 HIS D 37 5.801 -2.169 -3.668 1.00 99.99 H new ATOM 0 HB3 HIS D 37 5.056 -0.583 -3.635 1.00 99.99 H new ATOM 0 HD2 HIS D 37 5.713 -1.899 -7.206 1.00 99.99 H new ATOM 0 HE1 HIS D 37 1.643 -2.674 -6.319 1.00 99.99 H new ATOM 0 HE2 HIS D 37 3.410 -2.663 -8.159 1.00 99.99 H new ATOM 1442 N LEU D 38 6.685 1.748 -4.765 1.00 99.99 N ATOM 1443 CA LEU D 38 6.433 3.085 -5.290 1.00 99.99 C ATOM 1444 C LEU D 38 7.546 3.464 -6.256 1.00 99.99 C ATOM 1445 O LEU D 38 7.260 3.975 -7.308 1.00 99.99 O ATOM 1446 CB LEU D 38 6.419 4.165 -4.200 1.00 99.99 C ATOM 1447 CG LEU D 38 6.177 5.592 -4.749 1.00 99.99 C ATOM 1448 CD1 LEU D 38 4.839 5.697 -5.492 1.00 99.99 C ATOM 1449 CD2 LEU D 38 6.262 6.653 -3.651 1.00 99.99 C ATOM 0 H LEU D 38 6.988 1.739 -3.791 1.00 99.99 H new ATOM 0 HA LEU D 38 5.454 3.046 -5.767 1.00 99.99 H new ATOM 0 HB2 LEU D 38 5.642 3.927 -3.474 1.00 99.99 H new ATOM 0 HB3 LEU D 38 7.370 4.145 -3.668 1.00 99.99 H new ATOM 0 HG LEU D 38 6.978 5.786 -5.463 1.00 99.99 H new ATOM 0 HD11 LEU D 38 4.707 6.714 -5.862 1.00 99.99 H new ATOM 0 HD12 LEU D 38 4.834 5.002 -6.332 1.00 99.99 H new ATOM 0 HD13 LEU D 38 4.024 5.450 -4.811 1.00 99.99 H new ATOM 0 HD21 LEU D 38 6.086 7.638 -4.083 1.00 99.99 H new ATOM 0 HD22 LEU D 38 5.509 6.450 -2.890 1.00 99.99 H new ATOM 0 HD23 LEU D 38 7.252 6.628 -3.197 1.00 99.99 H new ATOM 1461 N ILE D 39 8.724 3.218 -5.882 1.00 99.99 N ATOM 1462 CA ILE D 39 9.889 3.553 -6.694 1.00 99.99 C ATOM 1463 C ILE D 39 9.841 2.758 -7.990 1.00 99.99 C ATOM 1464 O ILE D 39 10.096 3.316 -9.029 1.00 99.99 O ATOM 1465 CB ILE D 39 11.217 3.193 -6.014 1.00 99.99 C ATOM 1466 CG1 ILE D 39 11.433 4.092 -4.776 1.00 99.99 C ATOM 1467 CG2 ILE D 39 12.387 3.350 -7.008 1.00 99.99 C ATOM 1468 CD1 ILE D 39 12.643 3.688 -3.922 1.00 99.99 C ATOM 0 H ILE D 39 8.951 2.771 -4.994 1.00 99.99 H new ATOM 0 HA ILE D 39 9.851 4.630 -6.855 1.00 99.99 H new ATOM 0 HB ILE D 39 11.180 2.153 -5.690 1.00 99.99 H new ATOM 0 HG12 ILE D 39 11.560 5.123 -5.105 1.00 99.99 H new ATOM 0 HG13 ILE D 39 10.537 4.063 -4.156 1.00 99.99 H new ATOM 0 HG21 ILE D 39 13.323 3.091 -6.512 1.00 99.99 H new ATOM 0 HG22 ILE D 39 12.232 2.687 -7.860 1.00 99.99 H new ATOM 0 HG23 ILE D 39 12.433 4.382 -7.355 1.00 99.99 H new ATOM 0 HD11 ILE D 39 12.730 4.364 -3.072 1.00 99.99 H new ATOM 0 HD12 ILE D 39 12.510 2.668 -3.562 1.00 99.99 H new ATOM 0 HD13 ILE D 39 13.549 3.745 -4.525 1.00 99.99 H new ATOM 1480 N LEU D 40 9.540 1.539 -7.895 1.00 99.99 N ATOM 1481 CA LEU D 40 9.482 0.653 -9.051 1.00 99.99 C ATOM 1482 C LEU D 40 8.419 1.154 -10.017 1.00 99.99 C ATOM 1483 O LEU D 40 8.660 1.169 -11.198 1.00 99.99 O ATOM 1484 CB LEU D 40 9.091 -0.784 -8.686 1.00 99.99 C ATOM 1485 CG LEU D 40 10.160 -1.590 -7.915 1.00 99.99 C ATOM 1486 CD1 LEU D 40 9.586 -2.965 -7.519 1.00 99.99 C ATOM 1487 CD2 LEU D 40 11.450 -1.775 -8.726 1.00 99.99 C ATOM 0 H LEU D 40 9.316 1.082 -7.011 1.00 99.99 H new ATOM 0 HA LEU D 40 10.482 0.653 -9.484 1.00 99.99 H new ATOM 0 HB2 LEU D 40 8.182 -0.753 -8.086 1.00 99.99 H new ATOM 0 HB3 LEU D 40 8.849 -1.320 -9.604 1.00 99.99 H new ATOM 0 HG LEU D 40 10.419 -1.021 -7.022 1.00 99.99 H new ATOM 0 HD11 LEU D 40 10.342 -3.532 -6.975 1.00 99.99 H new ATOM 0 HD12 LEU D 40 8.711 -2.825 -6.884 1.00 99.99 H new ATOM 0 HD13 LEU D 40 9.299 -3.512 -8.417 1.00 99.99 H new ATOM 0 HD21 LEU D 40 12.169 -2.348 -8.140 1.00 99.99 H new ATOM 0 HD22 LEU D 40 11.226 -2.310 -9.649 1.00 99.99 H new ATOM 0 HD23 LEU D 40 11.872 -0.799 -8.966 1.00 99.99 H new ATOM 1499 N TRP D 41 7.325 1.528 -9.510 1.00 99.99 N ATOM 1500 CA TRP D 41 6.211 2.005 -10.319 1.00 99.99 C ATOM 1501 C TRP D 41 6.602 3.314 -10.988 1.00 99.99 C ATOM 1502 O TRP D 41 6.316 3.488 -12.146 1.00 99.99 O ATOM 1503 CB TRP D 41 4.953 2.299 -9.489 1.00 99.99 C ATOM 1504 CG TRP D 41 3.745 2.696 -10.318 1.00 99.99 C ATOM 1505 CD1 TRP D 41 2.932 1.870 -11.031 1.00 99.99 C ATOM 1506 CD2 TRP D 41 3.308 4.039 -10.589 1.00 99.99 C ATOM 1507 NE1 TRP D 41 1.962 2.594 -11.665 1.00 99.99 N ATOM 1508 CE2 TRP D 41 2.196 3.929 -11.444 1.00 99.99 C ATOM 1509 CE3 TRP D 41 3.780 5.282 -10.155 1.00 99.99 C ATOM 1510 CZ2 TRP D 41 1.517 5.060 -11.873 1.00 99.99 C ATOM 1511 CZ3 TRP D 41 3.101 6.417 -10.602 1.00 99.99 C ATOM 1512 CH2 TRP D 41 1.983 6.316 -11.448 1.00 99.99 C ATOM 0 H TRP D 41 7.139 1.525 -8.507 1.00 99.99 H new ATOM 0 HA TRP D 41 5.990 1.214 -11.035 1.00 99.99 H new ATOM 0 HB2 TRP D 41 4.703 1.415 -8.902 1.00 99.99 H new ATOM 0 HB3 TRP D 41 5.175 3.099 -8.783 1.00 99.99 H new ATOM 0 HD1 TRP D 41 3.038 0.797 -11.088 1.00 99.99 H new ATOM 0 HE1 TRP D 41 1.192 2.207 -12.211 1.00 99.99 H new ATOM 0 HE3 TRP D 41 4.635 5.361 -9.500 1.00 99.99 H new ATOM 0 HZ2 TRP D 41 0.653 4.978 -12.516 1.00 99.99 H new ATOM 0 HZ3 TRP D 41 3.442 7.393 -10.291 1.00 99.99 H new ATOM 0 HH2 TRP D 41 1.477 7.212 -11.775 1.00 99.99 H new ATOM 1523 N ILE D 42 7.205 4.157 -10.268 1.00 99.99 N ATOM 1524 CA ILE D 42 7.614 5.464 -10.772 1.00 99.99 C ATOM 1525 C ILE D 42 8.702 5.279 -11.820 1.00 99.99 C ATOM 1526 O ILE D 42 8.655 5.931 -12.833 1.00 99.99 O ATOM 1527 CB ILE D 42 8.210 6.364 -9.684 1.00 99.99 C ATOM 1528 CG1 ILE D 42 7.100 6.832 -8.714 1.00 99.99 C ATOM 1529 CG2 ILE D 42 8.924 7.583 -10.308 1.00 99.99 C ATOM 1530 CD1 ILE D 42 7.625 7.663 -7.533 1.00 99.99 C ATOM 0 H ILE D 42 7.450 3.992 -9.292 1.00 99.99 H new ATOM 0 HA ILE D 42 6.715 5.933 -11.172 1.00 99.99 H new ATOM 0 HB ILE D 42 8.947 5.786 -9.127 1.00 99.99 H new ATOM 0 HG12 ILE D 42 6.371 7.423 -9.268 1.00 99.99 H new ATOM 0 HG13 ILE D 42 6.575 5.959 -8.328 1.00 99.99 H new ATOM 0 HG21 ILE D 42 9.339 8.207 -9.516 1.00 99.99 H new ATOM 0 HG22 ILE D 42 9.729 7.240 -10.958 1.00 99.99 H new ATOM 0 HG23 ILE D 42 8.209 8.164 -10.891 1.00 99.99 H new ATOM 0 HD11 ILE D 42 6.791 7.956 -6.895 1.00 99.99 H new ATOM 0 HD12 ILE D 42 8.332 7.068 -6.955 1.00 99.99 H new ATOM 0 HD13 ILE D 42 8.125 8.555 -7.910 1.00 99.99 H new ATOM 1542 N LEU D 43 9.609 4.444 -11.552 1.00 99.99 N ATOM 1543 CA LEU D 43 10.725 4.189 -12.454 1.00 99.99 C ATOM 1544 C LEU D 43 10.197 3.605 -13.757 1.00 99.99 C ATOM 1545 O LEU D 43 10.737 3.900 -14.793 1.00 99.99 O ATOM 1546 CB LEU D 43 11.722 3.165 -11.895 1.00 99.99 C ATOM 1547 CG LEU D 43 12.543 3.670 -10.685 1.00 99.99 C ATOM 1548 CD1 LEU D 43 13.306 2.502 -10.035 1.00 99.99 C ATOM 1549 CD2 LEU D 43 13.524 4.785 -11.080 1.00 99.99 C ATOM 0 H LEU D 43 9.631 3.891 -10.696 1.00 99.99 H new ATOM 0 HA LEU D 43 11.230 5.145 -12.593 1.00 99.99 H new ATOM 0 HB2 LEU D 43 11.177 2.268 -11.600 1.00 99.99 H new ATOM 0 HB3 LEU D 43 12.409 2.874 -12.689 1.00 99.99 H new ATOM 0 HG LEU D 43 11.840 4.089 -9.966 1.00 99.99 H new ATOM 0 HD11 LEU D 43 13.880 2.871 -9.185 1.00 99.99 H new ATOM 0 HD12 LEU D 43 12.596 1.748 -9.694 1.00 99.99 H new ATOM 0 HD13 LEU D 43 13.983 2.059 -10.765 1.00 99.99 H new ATOM 0 HD21 LEU D 43 14.079 5.110 -10.200 1.00 99.99 H new ATOM 0 HD22 LEU D 43 14.220 4.409 -11.830 1.00 99.99 H new ATOM 0 HD23 LEU D 43 12.970 5.629 -11.491 1.00 99.99 H new ATOM 1561 N ASP D 44 9.211 2.822 -13.666 1.00 99.99 N ATOM 1562 CA ASP D 44 8.621 2.172 -14.828 1.00 99.99 C ATOM 1563 C ASP D 44 7.950 3.220 -15.706 1.00 99.99 C ATOM 1564 O ASP D 44 8.046 3.128 -16.905 1.00 99.99 O ATOM 1565 CB ASP D 44 7.531 1.156 -14.458 1.00 99.99 C ATOM 1566 CG ASP D 44 6.978 0.411 -15.688 1.00 99.99 C ATOM 1567 OD1 ASP D 44 7.743 -0.368 -16.305 1.00 99.99 O ATOM 1568 OD2 ASP D 44 5.762 0.566 -16.010 1.00 99.99 O ATOM 0 H ASP D 44 8.757 2.587 -12.783 1.00 99.99 H new ATOM 0 HA ASP D 44 9.436 1.655 -15.334 1.00 99.99 H new ATOM 0 HB2 ASP D 44 7.938 0.433 -13.751 1.00 99.99 H new ATOM 0 HB3 ASP D 44 6.715 1.672 -13.952 1.00 99.99 H new ATOM 1573 N ARG D 45 7.318 4.134 -15.111 1.00 99.99 N ATOM 1574 CA ARG D 45 6.609 5.188 -15.827 1.00 99.99 C ATOM 1575 C ARG D 45 7.611 6.047 -16.585 1.00 99.99 C ATOM 1576 O ARG D 45 7.361 6.375 -17.716 1.00 99.99 O ATOM 1577 CB ARG D 45 5.848 6.138 -14.892 1.00 99.99 C ATOM 1578 CG ARG D 45 4.694 5.459 -14.124 1.00 99.99 C ATOM 1579 CD ARG D 45 3.460 5.198 -14.997 1.00 99.99 C ATOM 1580 NE ARG D 45 3.553 3.802 -15.555 1.00 99.99 N ATOM 1581 CZ ARG D 45 2.877 3.446 -16.664 1.00 99.99 C ATOM 1582 NH1 ARG D 45 2.072 4.311 -17.306 1.00 99.99 N ATOM 1583 NH2 ARG D 45 2.997 2.183 -17.105 1.00 99.99 N ATOM 0 H ARG D 45 7.254 4.206 -14.096 1.00 99.99 H new ATOM 0 HA ARG D 45 5.900 4.685 -16.485 1.00 99.99 H new ATOM 0 HB2 ARG D 45 6.548 6.566 -14.174 1.00 99.99 H new ATOM 0 HB3 ARG D 45 5.446 6.965 -15.477 1.00 99.99 H new ATOM 0 HG2 ARG D 45 5.047 4.513 -13.712 1.00 99.99 H new ATOM 0 HG3 ARG D 45 4.408 6.087 -13.280 1.00 99.99 H new ATOM 0 HD2 ARG D 45 2.550 5.310 -14.408 1.00 99.99 H new ATOM 0 HD3 ARG D 45 3.408 5.926 -15.806 1.00 99.99 H new ATOM 0 HE ARG D 45 4.139 3.113 -15.084 1.00 99.99 H new ATOM 0 HH11 ARG D 45 1.962 5.262 -16.955 1.00 99.99 H new ATOM 0 HH12 ARG D 45 1.571 4.016 -18.144 1.00 99.99 H new ATOM 0 HH21 ARG D 45 3.589 1.521 -16.602 1.00 99.99 H new ATOM 0 HH22 ARG D 45 2.496 1.885 -17.942 1.00 99.99 H new ATOM 1597 N LEU D 46 8.660 6.370 -15.963 1.00 99.99 N ATOM 1598 CA LEU D 46 9.693 7.209 -16.559 1.00 99.99 C ATOM 1599 C LEU D 46 10.357 6.456 -17.701 1.00 99.99 C ATOM 1600 O LEU D 46 11.040 5.456 -17.488 1.00 99.99 O ATOM 1601 CB LEU D 46 10.811 7.573 -15.573 1.00 99.99 C ATOM 1602 CG LEU D 46 10.407 8.346 -14.293 1.00 99.99 C ATOM 1603 CD1 LEU D 46 11.623 8.388 -13.347 1.00 99.99 C ATOM 1604 CD2 LEU D 46 9.907 9.767 -14.574 1.00 99.99 C ATOM 0 H LEU D 46 8.864 6.074 -15.009 1.00 99.99 H new ATOM 0 HA LEU D 46 9.193 8.120 -16.887 1.00 99.99 H new ATOM 0 HB2 LEU D 46 11.305 6.650 -15.268 1.00 99.99 H new ATOM 0 HB3 LEU D 46 11.551 8.169 -16.107 1.00 99.99 H new ATOM 0 HG LEU D 46 9.570 7.819 -13.835 1.00 99.99 H new ATOM 0 HD11 LEU D 46 11.359 8.929 -12.438 1.00 99.99 H new ATOM 0 HD12 LEU D 46 11.920 7.371 -13.091 1.00 99.99 H new ATOM 0 HD13 LEU D 46 12.452 8.894 -13.842 1.00 99.99 H new ATOM 0 HD21 LEU D 46 9.641 10.252 -13.635 1.00 99.99 H new ATOM 0 HD22 LEU D 46 10.693 10.338 -15.067 1.00 99.99 H new ATOM 0 HD23 LEU D 46 9.030 9.723 -15.220 1.00 99.99 H new