USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 862 hydrogens (18 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 69:sc= 0.44 USER MOD Single : A 37 HIS : no HD1:sc= -1.93! C(o=-1.9!,f=-3.1!) 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 69:sc= 0.445 USER MOD Single : B 37 HIS : no HD1:sc= -1.93! C(o=-1.9!,f=-3.1!) 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= 0.45 USER MOD Single : C 37 HIS : no HD1:sc= -1.87! C(o=-1.9!,f=-3.1!) 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= 0.446 USER MOD Single : D 37 HIS : no HD1:sc= -1.95! C(o=-1.9!,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 22 0.567 10.404 18.968 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 1.421 7.863 18.459 1.00 99.99 O ATOM 5 CB SER A 22 2.522 11.009 17.495 1.00 99.99 C ATOM 6 OG SER A 22 3.522 10.770 18.482 1.00 99.99 O ATOM 0 HA SER A 22 0.550 10.364 16.880 1.00 99.99 H new ATOM 0 HB2 SER A 22 2.946 10.831 16.507 1.00 99.99 H new ATOM 0 HB3 SER A 22 2.228 12.058 17.531 1.00 99.99 H new ATOM 0 HG SER A 22 4.291 11.355 18.317 1.00 99.99 H new ATOM 11 N SER A 23 2.100 8.279 16.333 1.00 99.99 N ATOM 12 CA SER A 23 2.581 6.949 16.044 1.00 99.99 C ATOM 13 C SER A 23 4.003 7.124 15.575 1.00 99.99 C ATOM 14 O SER A 23 4.589 8.194 15.744 1.00 99.99 O ATOM 15 CB SER A 23 1.727 6.223 14.976 1.00 99.99 C ATOM 16 OG SER A 23 0.399 6.041 15.450 1.00 99.99 O ATOM 0 H SER A 23 2.177 8.917 15.541 1.00 99.99 H new ATOM 0 HA SER A 23 2.516 6.319 16.931 1.00 99.99 H new ATOM 0 HB2 SER A 23 1.715 6.803 14.053 1.00 99.99 H new ATOM 0 HB3 SER A 23 2.172 5.257 14.739 1.00 99.99 H new ATOM 0 HG SER A 23 -0.133 5.583 14.766 1.00 99.99 H new ATOM 22 N ASP A 24 4.609 6.055 14.996 1.00 99.99 N ATOM 23 CA ASP A 24 6.013 6.023 14.627 1.00 99.99 C ATOM 24 C ASP A 24 6.153 6.556 13.218 1.00 99.99 C ATOM 25 O ASP A 24 5.208 6.414 12.449 1.00 99.99 O ATOM 26 CB ASP A 24 6.594 4.582 14.665 1.00 99.99 C ATOM 27 CG ASP A 24 6.539 3.989 16.077 1.00 99.99 C ATOM 28 OD1 ASP A 24 6.449 4.766 17.066 1.00 99.99 O ATOM 29 OD2 ASP A 24 6.599 2.735 16.182 1.00 99.99 O ATOM 0 H ASP A 24 4.114 5.190 14.778 1.00 99.99 H new ATOM 0 HA ASP A 24 6.564 6.631 15.345 1.00 99.99 H new ATOM 0 HB2 ASP A 24 6.034 3.945 13.980 1.00 99.99 H new ATOM 0 HB3 ASP A 24 7.626 4.596 14.315 1.00 99.99 H new ATOM 34 N PRO A 25 7.257 7.186 12.808 1.00 99.99 N ATOM 35 CA PRO A 25 7.293 8.007 11.608 1.00 99.99 C ATOM 36 C PRO A 25 7.307 7.190 10.335 1.00 99.99 C ATOM 37 O PRO A 25 6.925 7.742 9.315 1.00 99.99 O ATOM 38 CB PRO A 25 8.583 8.835 11.741 1.00 99.99 C ATOM 39 CG PRO A 25 9.465 8.012 12.682 1.00 99.99 C ATOM 40 CD PRO A 25 8.445 7.391 13.633 1.00 99.99 C ATOM 0 HA PRO A 25 6.397 8.624 11.532 1.00 99.99 H new ATOM 0 HB2 PRO A 25 9.063 8.982 10.773 1.00 99.99 H new ATOM 0 HB3 PRO A 25 8.380 9.825 12.150 1.00 99.99 H new ATOM 0 HG2 PRO A 25 10.034 7.253 12.145 1.00 99.99 H new ATOM 0 HG3 PRO A 25 10.186 8.635 13.211 1.00 99.99 H new ATOM 0 HD2 PRO A 25 8.809 6.450 14.047 1.00 99.99 H new ATOM 0 HD3 PRO A 25 8.235 8.050 14.476 1.00 99.99 H new ATOM 48 N LEU A 26 7.747 5.912 10.375 1.00 99.99 N ATOM 49 CA LEU A 26 7.727 4.930 9.298 1.00 99.99 C ATOM 50 C LEU A 26 6.289 4.528 9.008 1.00 99.99 C ATOM 51 O LEU A 26 5.932 4.416 7.863 1.00 99.99 O ATOM 52 CB LEU A 26 8.474 3.637 9.653 1.00 99.99 C ATOM 53 CG LEU A 26 8.318 2.461 8.661 1.00 99.99 C ATOM 54 CD1 LEU A 26 8.908 2.768 7.283 1.00 99.99 C ATOM 55 CD2 LEU A 26 8.943 1.187 9.246 1.00 99.99 C ATOM 0 H LEU A 26 8.152 5.525 11.227 1.00 99.99 H new ATOM 0 HA LEU A 26 8.214 5.404 8.445 1.00 99.99 H new ATOM 0 HB2 LEU A 26 9.535 3.869 9.744 1.00 99.99 H new ATOM 0 HB3 LEU A 26 8.135 3.304 10.634 1.00 99.99 H new ATOM 0 HG LEU A 26 7.249 2.304 8.515 1.00 99.99 H new ATOM 0 HD11 LEU A 26 8.770 1.908 6.628 1.00 99.99 H new ATOM 0 HD12 LEU A 26 8.403 3.634 6.856 1.00 99.99 H new ATOM 0 HD13 LEU A 26 9.972 2.981 7.382 1.00 99.99 H new ATOM 0 HD21 LEU A 26 8.827 0.366 8.538 1.00 99.99 H new ATOM 0 HD22 LEU A 26 10.003 1.356 9.435 1.00 99.99 H new ATOM 0 HD23 LEU A 26 8.444 0.933 10.181 1.00 99.99 H new ATOM 67 N VAL A 27 5.548 4.327 10.010 1.00 99.99 N ATOM 68 CA VAL A 27 4.155 3.913 9.880 1.00 99.99 C ATOM 69 C VAL A 27 3.341 5.061 9.301 1.00 99.99 C ATOM 70 O VAL A 27 2.558 4.833 8.413 1.00 99.99 O ATOM 71 CB VAL A 27 3.509 3.560 11.226 1.00 99.99 C ATOM 72 CG1 VAL A 27 2.010 3.248 11.048 1.00 99.99 C ATOM 73 CG2 VAL A 27 4.220 2.330 11.833 1.00 99.99 C ATOM 0 H VAL A 27 5.861 4.437 10.974 1.00 99.99 H new ATOM 0 HA VAL A 27 4.156 3.031 9.240 1.00 99.99 H new ATOM 0 HB VAL A 27 3.611 4.415 11.894 1.00 99.99 H new ATOM 0 HG11 VAL A 27 1.573 3.000 12.015 1.00 99.99 H new ATOM 0 HG12 VAL A 27 1.504 4.120 10.633 1.00 99.99 H new ATOM 0 HG13 VAL A 27 1.892 2.403 10.370 1.00 99.99 H new ATOM 0 HG21 VAL A 27 3.761 2.079 12.789 1.00 99.99 H new ATOM 0 HG22 VAL A 27 4.127 1.483 11.153 1.00 99.99 H new ATOM 0 HG23 VAL A 27 5.275 2.558 11.986 1.00 99.99 H new ATOM 83 N VAL A 28 3.536 6.202 9.803 1.00 99.99 N ATOM 84 CA VAL A 28 2.806 7.385 9.363 1.00 99.99 C ATOM 85 C VAL A 28 3.252 7.757 7.957 1.00 99.99 C ATOM 86 O VAL A 28 2.420 8.053 7.138 1.00 99.99 O ATOM 87 CB VAL A 28 3.073 8.613 10.243 1.00 99.99 C ATOM 88 CG1 VAL A 28 2.427 9.881 9.646 1.00 99.99 C ATOM 89 CG2 VAL A 28 2.533 8.362 11.665 1.00 99.99 C ATOM 0 H VAL A 28 4.211 6.383 10.546 1.00 99.99 H new ATOM 0 HA VAL A 28 1.748 7.130 9.416 1.00 99.99 H new ATOM 0 HB VAL A 28 4.150 8.775 10.286 1.00 99.99 H new ATOM 0 HG11 VAL A 28 2.634 10.734 10.293 1.00 99.99 H new ATOM 0 HG12 VAL A 28 2.841 10.068 8.655 1.00 99.99 H new ATOM 0 HG13 VAL A 28 1.349 9.738 9.568 1.00 99.99 H new ATOM 0 HG21 VAL A 28 2.725 9.237 12.287 1.00 99.99 H new ATOM 0 HG22 VAL A 28 1.460 8.178 11.619 1.00 99.99 H new ATOM 0 HG23 VAL A 28 3.032 7.494 12.096 1.00 99.99 H new ATOM 99 N ALA A 29 4.493 7.739 7.736 1.00 99.99 N ATOM 100 CA ALA A 29 5.063 8.100 6.441 1.00 99.99 C ATOM 101 C ALA A 29 4.522 7.158 5.376 1.00 99.99 C ATOM 102 O ALA A 29 4.189 7.613 4.309 1.00 99.99 O ATOM 103 CB ALA A 29 6.590 7.964 6.402 1.00 99.99 C ATOM 0 H ALA A 29 5.186 7.474 8.436 1.00 99.99 H new ATOM 0 HA ALA A 29 4.791 9.141 6.265 1.00 99.99 H new ATOM 0 HB1 ALA A 29 6.955 8.246 5.415 1.00 99.99 H new ATOM 0 HB2 ALA A 29 7.033 8.618 7.153 1.00 99.99 H new ATOM 0 HB3 ALA A 29 6.869 6.931 6.611 1.00 99.99 H new ATOM 109 N ALA A 30 4.461 5.935 5.679 1.00 99.99 N ATOM 110 CA ALA A 30 3.986 4.922 4.745 1.00 99.99 C ATOM 111 C ALA A 30 2.521 5.174 4.426 1.00 99.99 C ATOM 112 O ALA A 30 2.119 4.953 3.310 1.00 99.99 O ATOM 113 CB ALA A 30 4.064 3.499 5.317 1.00 99.99 C ATOM 0 H ALA A 30 4.736 5.565 6.589 1.00 99.99 H new ATOM 0 HA ALA A 30 4.628 4.994 3.867 1.00 99.99 H new ATOM 0 HB1 ALA A 30 3.697 2.789 4.576 1.00 99.99 H new ATOM 0 HB2 ALA A 30 5.099 3.263 5.565 1.00 99.99 H new ATOM 0 HB3 ALA A 30 3.452 3.434 6.216 1.00 99.99 H new ATOM 119 N SER A 31 1.806 5.607 5.369 1.00 99.99 N ATOM 120 CA SER A 31 0.379 5.869 5.212 1.00 99.99 C ATOM 121 C SER A 31 0.182 6.964 4.173 1.00 99.99 C ATOM 122 O SER A 31 -0.651 6.815 3.315 1.00 99.99 O ATOM 123 CB SER A 31 -0.283 6.370 6.501 1.00 99.99 C ATOM 124 OG SER A 31 -0.269 5.356 7.505 1.00 99.99 O ATOM 0 H SER A 31 2.165 5.805 6.303 1.00 99.99 H new ATOM 0 HA SER A 31 -0.076 4.922 4.922 1.00 99.99 H new ATOM 0 HB2 SER A 31 0.240 7.255 6.864 1.00 99.99 H new ATOM 0 HB3 SER A 31 -1.310 6.670 6.295 1.00 99.99 H new ATOM 0 HG SER A 31 0.652 5.204 7.803 1.00 99.99 H new ATOM 130 N ILE A 32 0.915 7.986 4.284 1.00 99.99 N ATOM 131 CA ILE A 32 0.814 9.121 3.375 1.00 99.99 C ATOM 132 C ILE A 32 1.211 8.683 1.973 1.00 99.99 C ATOM 133 O ILE A 32 0.610 9.125 1.029 1.00 99.99 O ATOM 134 CB ILE A 32 1.756 10.273 3.752 1.00 99.99 C ATOM 135 CG1 ILE A 32 1.337 10.881 5.109 1.00 99.99 C ATOM 136 CG2 ILE A 32 1.756 11.364 2.661 1.00 99.99 C ATOM 137 CD1 ILE A 32 2.417 11.783 5.721 1.00 99.99 C ATOM 0 H ILE A 32 1.625 8.095 5.008 1.00 99.99 H new ATOM 0 HA ILE A 32 -0.218 9.467 3.432 1.00 99.99 H new ATOM 0 HB ILE A 32 2.766 9.873 3.837 1.00 99.99 H new ATOM 0 HG12 ILE A 32 0.422 11.458 4.975 1.00 99.99 H new ATOM 0 HG13 ILE A 32 1.106 10.075 5.806 1.00 99.99 H new ATOM 0 HG21 ILE A 32 2.431 12.169 2.952 1.00 99.99 H new ATOM 0 HG22 ILE A 32 2.089 10.934 1.716 1.00 99.99 H new ATOM 0 HG23 ILE A 32 0.748 11.761 2.543 1.00 99.99 H new ATOM 0 HD11 ILE A 32 2.063 12.180 6.673 1.00 99.99 H new ATOM 0 HD12 ILE A 32 3.325 11.203 5.885 1.00 99.99 H new ATOM 0 HD13 ILE A 32 2.631 12.608 5.041 1.00 99.99 H new ATOM 149 N ILE A 33 2.171 7.869 1.889 1.00 99.99 N ATOM 150 CA ILE A 33 2.676 7.385 0.609 1.00 99.99 C ATOM 151 C ILE A 33 1.569 6.634 -0.118 1.00 99.99 C ATOM 152 O ILE A 33 1.370 6.869 -1.282 1.00 99.99 O ATOM 153 CB ILE A 33 3.840 6.395 0.760 1.00 99.99 C ATOM 154 CG1 ILE A 33 5.149 7.200 0.954 1.00 99.99 C ATOM 155 CG2 ILE A 33 3.953 5.444 -0.445 1.00 99.99 C ATOM 156 CD1 ILE A 33 6.331 6.383 1.488 1.00 99.99 C ATOM 0 H ILE A 33 2.662 7.491 2.699 1.00 99.99 H new ATOM 0 HA ILE A 33 3.020 8.265 0.065 1.00 99.99 H new ATOM 0 HB ILE A 33 3.655 5.766 1.630 1.00 99.99 H new ATOM 0 HG12 ILE A 33 5.433 7.642 -0.001 1.00 99.99 H new ATOM 0 HG13 ILE A 33 4.954 8.024 1.641 1.00 99.99 H new ATOM 0 HG21 ILE A 33 4.790 4.762 -0.293 1.00 99.99 H new ATOM 0 HG22 ILE A 33 3.031 4.871 -0.544 1.00 99.99 H new ATOM 0 HG23 ILE A 33 4.118 6.025 -1.353 1.00 99.99 H new ATOM 0 HD11 ILE A 33 7.203 7.029 1.592 1.00 99.99 H new ATOM 0 HD12 ILE A 33 6.073 5.963 2.460 1.00 99.99 H new ATOM 0 HD13 ILE A 33 6.559 5.575 0.792 1.00 99.99 H new ATOM 168 N GLY A 34 0.916 5.796 0.563 1.00 99.99 N ATOM 169 CA GLY A 34 -0.157 4.990 -0.013 1.00 99.99 C ATOM 170 C GLY A 34 -1.306 5.897 -0.419 1.00 99.99 C ATOM 171 O GLY A 34 -1.910 5.658 -1.434 1.00 99.99 O ATOM 0 H GLY A 34 1.084 5.619 1.553 1.00 99.99 H new ATOM 0 HA2 GLY A 34 0.211 4.440 -0.879 1.00 99.99 H new ATOM 0 HA3 GLY A 34 -0.501 4.251 0.711 1.00 99.99 H new ATOM 175 N ILE A 35 -1.245 7.158 -0.021 1.00 99.99 N ATOM 176 CA ILE A 35 -2.274 8.061 -0.530 1.00 99.99 C ATOM 177 C ILE A 35 -1.754 8.770 -1.771 1.00 99.99 C ATOM 178 O ILE A 35 -2.459 8.835 -2.745 1.00 99.99 O ATOM 179 CB ILE A 35 -2.651 9.161 0.471 1.00 99.99 C ATOM 180 CG1 ILE A 35 -3.184 8.535 1.784 1.00 99.99 C ATOM 181 CG2 ILE A 35 -3.712 10.094 -0.151 1.00 99.99 C ATOM 182 CD1 ILE A 35 -3.297 9.507 2.962 1.00 99.99 C ATOM 0 H ILE A 35 -0.550 7.562 0.607 1.00 99.99 H new ATOM 0 HA ILE A 35 -3.149 7.444 -0.732 1.00 99.99 H new ATOM 0 HB ILE A 35 -1.762 9.746 0.706 1.00 99.99 H new ATOM 0 HG12 ILE A 35 -4.167 8.104 1.591 1.00 99.99 H new ATOM 0 HG13 ILE A 35 -2.527 7.714 2.071 1.00 99.99 H new ATOM 0 HG21 ILE A 35 -3.976 10.873 0.564 1.00 99.99 H new ATOM 0 HG22 ILE A 35 -3.309 10.552 -1.054 1.00 99.99 H new ATOM 0 HG23 ILE A 35 -4.601 9.517 -0.403 1.00 99.99 H new ATOM 0 HD11 ILE A 35 -3.678 8.978 3.835 1.00 99.99 H new ATOM 0 HD12 ILE A 35 -2.314 9.920 3.189 1.00 99.99 H new ATOM 0 HD13 ILE A 35 -3.979 10.316 2.702 1.00 99.99 H new ATOM 194 N LEU A 36 -0.592 9.257 -1.697 1.00 99.99 N ATOM 195 CA LEU A 36 0.020 9.987 -2.802 1.00 99.99 C ATOM 196 C LEU A 36 0.132 9.068 -4.010 1.00 99.99 C ATOM 197 O LEU A 36 -0.150 9.496 -5.099 1.00 99.99 O ATOM 198 CB LEU A 36 1.444 10.463 -2.487 1.00 99.99 C ATOM 199 CG LEU A 36 2.196 11.127 -3.660 1.00 99.99 C ATOM 200 CD1 LEU A 36 1.494 12.414 -4.112 1.00 99.99 C ATOM 201 CD2 LEU A 36 3.659 11.404 -3.288 1.00 99.99 C ATOM 0 H LEU A 36 0.001 9.179 -0.871 1.00 99.99 H new ATOM 0 HA LEU A 36 -0.615 10.853 -2.986 1.00 99.99 H new ATOM 0 HB2 LEU A 36 1.397 11.172 -1.660 1.00 99.99 H new ATOM 0 HB3 LEU A 36 2.026 9.609 -2.142 1.00 99.99 H new ATOM 0 HG LEU A 36 2.186 10.430 -4.498 1.00 99.99 H new ATOM 0 HD11 LEU A 36 2.047 12.859 -4.939 1.00 99.99 H new ATOM 0 HD12 LEU A 36 0.480 12.181 -4.437 1.00 99.99 H new ATOM 0 HD13 LEU A 36 1.455 13.118 -3.281 1.00 99.99 H new ATOM 0 HD21 LEU A 36 4.167 11.872 -4.132 1.00 99.99 H new ATOM 0 HD22 LEU A 36 3.695 12.071 -2.427 1.00 99.99 H new ATOM 0 HD23 LEU A 36 4.156 10.466 -3.041 1.00 99.99 H new ATOM 213 N HIS A 37 0.567 7.802 -3.824 1.00 99.99 N ATOM 214 CA HIS A 37 0.774 6.839 -4.878 1.00 99.99 C ATOM 215 C HIS A 37 -0.536 6.524 -5.548 1.00 99.99 C ATOM 216 O HIS A 37 -0.569 6.175 -6.726 1.00 99.99 O ATOM 217 CB HIS A 37 1.390 5.527 -4.336 1.00 99.99 C ATOM 218 CG HIS A 37 1.804 4.549 -5.406 1.00 99.99 C ATOM 219 ND1 HIS A 37 2.056 3.231 -5.139 1.00 99.99 N ATOM 220 CD2 HIS A 37 2.053 4.742 -6.723 1.00 99.99 C ATOM 221 CE1 HIS A 37 2.436 2.641 -6.265 1.00 99.99 C ATOM 222 NE2 HIS A 37 2.442 3.538 -7.241 1.00 99.99 N ATOM 0 H HIS A 37 0.785 7.431 -2.899 1.00 99.99 H new ATOM 0 HA HIS A 37 1.468 7.278 -5.594 1.00 99.99 H new ATOM 0 HB2 HIS A 37 2.260 5.772 -3.727 1.00 99.99 H new ATOM 0 HB3 HIS A 37 0.667 5.044 -3.679 1.00 99.99 H new ATOM 0 HD2 HIS A 37 1.961 5.673 -7.263 1.00 99.99 H new ATOM 0 HE1 HIS A 37 2.698 1.598 -6.369 1.00 99.99 H new ATOM 0 HE2 HIS A 37 2.694 3.360 -8.213 1.00 99.99 H new ATOM 230 N LEU A 38 -1.655 6.687 -4.801 1.00 99.99 N ATOM 231 CA LEU A 38 -2.996 6.441 -5.318 1.00 99.99 C ATOM 232 C LEU A 38 -3.378 7.557 -6.279 1.00 99.99 C ATOM 233 O LEU A 38 -3.894 7.274 -7.330 1.00 99.99 O ATOM 234 CB LEU A 38 -4.069 6.431 -4.219 1.00 99.99 C ATOM 235 CG LEU A 38 -5.501 6.196 -4.758 1.00 99.99 C ATOM 236 CD1 LEU A 38 -5.617 4.858 -5.502 1.00 99.99 C ATOM 237 CD2 LEU A 38 -6.554 6.285 -3.653 1.00 99.99 C ATOM 0 H LEU A 38 -1.639 6.992 -3.828 1.00 99.99 H new ATOM 0 HA LEU A 38 -2.963 5.462 -5.797 1.00 99.99 H new ATOM 0 HB2 LEU A 38 -3.829 5.652 -3.495 1.00 99.99 H new ATOM 0 HB3 LEU A 38 -4.041 7.381 -3.686 1.00 99.99 H new ATOM 0 HG LEU A 38 -5.696 6.999 -5.469 1.00 99.99 H new ATOM 0 HD11 LEU A 38 -6.637 4.731 -5.865 1.00 99.99 H new ATOM 0 HD12 LEU A 38 -4.928 4.850 -6.347 1.00 99.99 H new ATOM 0 HD13 LEU A 38 -5.369 4.042 -4.824 1.00 99.99 H new ATOM 0 HD21 LEU A 38 -7.543 6.114 -4.078 1.00 99.99 H new ATOM 0 HD22 LEU A 38 -6.349 5.530 -2.894 1.00 99.99 H new ATOM 0 HD23 LEU A 38 -6.521 7.275 -3.198 1.00 99.99 H new ATOM 249 N ILE A 39 -3.129 8.734 -5.904 1.00 99.99 N ATOM 250 CA ILE A 39 -3.466 9.901 -6.713 1.00 99.99 C ATOM 251 C ILE A 39 -2.676 9.854 -8.012 1.00 99.99 C ATOM 252 O ILE A 39 -3.239 10.106 -9.049 1.00 99.99 O ATOM 253 CB ILE A 39 -3.100 11.227 -6.032 1.00 99.99 C ATOM 254 CG1 ILE A 39 -3.993 11.442 -4.790 1.00 99.99 C ATOM 255 CG2 ILE A 39 -3.260 12.399 -7.023 1.00 99.99 C ATOM 256 CD1 ILE A 39 -3.585 12.650 -3.935 1.00 99.99 C ATOM 0 H ILE A 39 -2.678 8.959 -5.017 1.00 99.99 H new ATOM 0 HA ILE A 39 -4.544 9.865 -6.870 1.00 99.99 H new ATOM 0 HB ILE A 39 -2.058 11.188 -5.713 1.00 99.99 H new ATOM 0 HG12 ILE A 39 -5.026 11.571 -5.114 1.00 99.99 H new ATOM 0 HG13 ILE A 39 -3.962 10.544 -4.172 1.00 99.99 H new ATOM 0 HG21 ILE A 39 -2.997 13.333 -6.527 1.00 99.99 H new ATOM 0 HG22 ILE A 39 -2.602 12.245 -7.878 1.00 99.99 H new ATOM 0 HG23 ILE A 39 -4.294 12.448 -7.365 1.00 99.99 H new ATOM 0 HD11 ILE A 39 -4.258 12.736 -3.082 1.00 99.99 H new ATOM 0 HD12 ILE A 39 -2.564 12.516 -3.579 1.00 99.99 H new ATOM 0 HD13 ILE A 39 -3.643 13.557 -4.536 1.00 99.99 H new ATOM 268 N LEU A 40 -1.455 9.558 -7.922 1.00 99.99 N ATOM 269 CA LEU A 40 -0.574 9.501 -9.082 1.00 99.99 C ATOM 270 C LEU A 40 -1.076 8.435 -10.044 1.00 99.99 C ATOM 271 O LEU A 40 -1.096 8.675 -11.225 1.00 99.99 O ATOM 272 CB LEU A 40 0.866 9.116 -8.723 1.00 99.99 C ATOM 273 CG LEU A 40 1.672 10.189 -7.957 1.00 99.99 C ATOM 274 CD1 LEU A 40 3.050 9.621 -7.566 1.00 99.99 C ATOM 275 CD2 LEU A 40 1.848 11.478 -8.770 1.00 99.99 C ATOM 0 H LEU A 40 -0.993 9.338 -7.040 1.00 99.99 H new ATOM 0 HA LEU A 40 -0.579 10.500 -9.517 1.00 99.99 H new ATOM 0 HB2 LEU A 40 0.841 8.207 -8.121 1.00 99.99 H new ATOM 0 HB3 LEU A 40 1.399 8.875 -9.643 1.00 99.99 H new ATOM 0 HG LEU A 40 1.107 10.447 -7.062 1.00 99.99 H new ATOM 0 HD11 LEU A 40 3.616 10.380 -7.026 1.00 99.99 H new ATOM 0 HD12 LEU A 40 2.916 8.747 -6.929 1.00 99.99 H new ATOM 0 HD13 LEU A 40 3.594 9.334 -8.466 1.00 99.99 H new ATOM 0 HD21 LEU A 40 2.421 12.200 -8.188 1.00 99.99 H new ATOM 0 HD22 LEU A 40 2.379 11.255 -9.695 1.00 99.99 H new ATOM 0 HD23 LEU A 40 0.869 11.896 -9.005 1.00 99.99 H new ATOM 287 N TRP A 41 -1.444 7.341 -9.534 1.00 99.99 N ATOM 288 CA TRP A 41 -1.920 6.224 -10.339 1.00 99.99 C ATOM 289 C TRP A 41 -3.231 6.612 -11.008 1.00 99.99 C ATOM 290 O TRP A 41 -3.408 6.321 -12.165 1.00 99.99 O ATOM 291 CB TRP A 41 -2.212 4.968 -9.506 1.00 99.99 C ATOM 292 CG TRP A 41 -2.608 3.758 -10.332 1.00 99.99 C ATOM 293 CD1 TRP A 41 -1.782 2.943 -11.044 1.00 99.99 C ATOM 294 CD2 TRP A 41 -3.951 3.318 -10.600 1.00 99.99 C ATOM 295 NE1 TRP A 41 -2.505 1.971 -11.674 1.00 99.99 N ATOM 296 CE2 TRP A 41 -3.841 2.204 -11.452 1.00 99.99 C ATOM 297 CE3 TRP A 41 -5.194 3.790 -10.165 1.00 99.99 C ATOM 298 CZ2 TRP A 41 -4.972 1.523 -11.877 1.00 99.99 C ATOM 299 CZ3 TRP A 41 -6.329 3.108 -10.609 1.00 99.99 C ATOM 300 CH2 TRP A 41 -6.227 1.988 -11.452 1.00 99.99 C ATOM 0 H TRP A 41 -1.437 7.156 -8.531 1.00 99.99 H new ATOM 0 HA TRP A 41 -1.129 6.002 -11.055 1.00 99.99 H new ATOM 0 HB2 TRP A 41 -1.328 4.720 -8.918 1.00 99.99 H new ATOM 0 HB3 TRP A 41 -3.012 5.191 -8.800 1.00 99.99 H new ATOM 0 HD1 TRP A 41 -0.709 3.050 -11.102 1.00 99.99 H new ATOM 0 HE1 TRP A 41 -2.118 1.200 -12.219 1.00 99.99 H new ATOM 0 HE3 TRP A 41 -5.273 4.647 -9.512 1.00 99.99 H new ATOM 0 HZ2 TRP A 41 -4.890 0.658 -12.518 1.00 99.99 H new ATOM 0 HZ3 TRP A 41 -7.306 3.448 -10.298 1.00 99.99 H new ATOM 0 HH2 TRP A 41 -7.123 1.480 -11.776 1.00 99.99 H new ATOM 311 N ILE A 42 -4.073 7.217 -10.288 1.00 99.99 N ATOM 312 CA ILE A 42 -5.382 7.624 -10.792 1.00 99.99 C ATOM 313 C ILE A 42 -5.199 8.706 -11.845 1.00 99.99 C ATOM 314 O ILE A 42 -5.863 8.661 -12.851 1.00 99.99 O ATOM 315 CB ILE A 42 -6.279 8.225 -9.705 1.00 99.99 C ATOM 316 CG1 ILE A 42 -6.745 7.120 -8.728 1.00 99.99 C ATOM 317 CG2 ILE A 42 -7.499 8.936 -10.329 1.00 99.99 C ATOM 318 CD1 ILE A 42 -7.573 7.651 -7.548 1.00 99.99 C ATOM 0 H ILE A 42 -3.907 7.465 -9.313 1.00 99.99 H new ATOM 0 HA ILE A 42 -5.852 6.724 -11.187 1.00 99.99 H new ATOM 0 HB ILE A 42 -5.699 8.965 -9.153 1.00 99.99 H new ATOM 0 HG12 ILE A 42 -7.338 6.388 -9.277 1.00 99.99 H new ATOM 0 HG13 ILE A 42 -5.871 6.597 -8.341 1.00 99.99 H new ATOM 0 HG21 ILE A 42 -8.121 9.354 -9.537 1.00 99.99 H new ATOM 0 HG22 ILE A 42 -7.157 9.738 -10.984 1.00 99.99 H new ATOM 0 HG23 ILE A 42 -8.082 8.219 -10.907 1.00 99.99 H new ATOM 0 HD11 ILE A 42 -7.865 6.820 -6.905 1.00 99.99 H new ATOM 0 HD12 ILE A 42 -6.976 8.361 -6.975 1.00 99.99 H new ATOM 0 HD13 ILE A 42 -8.466 8.149 -7.925 1.00 99.99 H new ATOM 330 N LEU A 43 -4.354 9.607 -11.591 1.00 99.99 N ATOM 331 CA LEU A 43 -4.099 10.718 -12.499 1.00 99.99 C ATOM 332 C LEU A 43 -3.547 10.179 -13.812 1.00 99.99 C ATOM 333 O LEU A 43 -3.862 10.715 -14.844 1.00 99.99 O ATOM 334 CB LEU A 43 -3.051 11.701 -11.961 1.00 99.99 C ATOM 335 CG LEU A 43 -3.522 12.531 -10.744 1.00 99.99 C ATOM 336 CD1 LEU A 43 -2.330 13.279 -10.117 1.00 99.99 C ATOM 337 CD2 LEU A 43 -4.629 13.528 -11.120 1.00 99.99 C ATOM 0 H LEU A 43 -3.791 9.628 -10.741 1.00 99.99 H new ATOM 0 HA LEU A 43 -5.050 11.237 -12.621 1.00 99.99 H new ATOM 0 HB2 LEU A 43 -2.157 11.144 -11.682 1.00 99.99 H new ATOM 0 HB3 LEU A 43 -2.764 12.383 -12.762 1.00 99.99 H new ATOM 0 HG LEU A 43 -3.939 11.835 -10.016 1.00 99.99 H new ATOM 0 HD11 LEU A 43 -2.674 13.860 -9.261 1.00 99.99 H new ATOM 0 HD12 LEU A 43 -1.580 12.559 -9.789 1.00 99.99 H new ATOM 0 HD13 LEU A 43 -1.891 13.948 -10.857 1.00 99.99 H new ATOM 0 HD21 LEU A 43 -4.929 14.089 -10.235 1.00 99.99 H new ATOM 0 HD22 LEU A 43 -4.256 14.217 -11.878 1.00 99.99 H new ATOM 0 HD23 LEU A 43 -5.488 12.986 -11.515 1.00 99.99 H new ATOM 349 N ASP A 44 -2.769 9.189 -13.732 1.00 99.99 N ATOM 350 CA ASP A 44 -2.148 8.589 -14.905 1.00 99.99 C ATOM 351 C ASP A 44 -3.218 7.916 -15.754 1.00 99.99 C ATOM 352 O ASP A 44 -3.144 7.988 -16.955 1.00 99.99 O ATOM 353 CB ASP A 44 -1.128 7.498 -14.551 1.00 99.99 C ATOM 354 CG ASP A 44 -0.413 6.933 -15.794 1.00 99.99 C ATOM 355 OD1 ASP A 44 0.354 7.691 -16.435 1.00 99.99 O ATOM 356 OD2 ASP A 44 -0.580 5.716 -16.104 1.00 99.99 O ATOM 0 H ASP A 44 -2.518 8.738 -12.852 1.00 99.99 H new ATOM 0 HA ASP A 44 -1.640 9.399 -15.428 1.00 99.99 H new ATOM 0 HB2 ASP A 44 -0.387 7.907 -13.864 1.00 99.99 H new ATOM 0 HB3 ASP A 44 -1.635 6.687 -14.027 1.00 99.99 H new ATOM 361 N ARG A 45 -4.131 7.308 -15.133 1.00 99.99 N ATOM 362 CA ARG A 45 -5.206 6.600 -15.819 1.00 99.99 C ATOM 363 C ARG A 45 -6.067 7.599 -16.575 1.00 99.99 C ATOM 364 O ARG A 45 -6.417 7.338 -17.698 1.00 99.99 O ATOM 365 CB ARG A 45 -6.146 5.863 -14.855 1.00 99.99 C ATOM 366 CG ARG A 45 -5.466 4.714 -14.082 1.00 99.99 C ATOM 367 CD ARG A 45 -5.234 3.463 -14.941 1.00 99.99 C ATOM 368 NE ARG A 45 -3.847 3.533 -15.526 1.00 99.99 N ATOM 369 CZ ARG A 45 -3.519 2.837 -16.631 1.00 99.99 C ATOM 370 NH1 ARG A 45 -4.405 2.032 -17.245 1.00 99.99 N ATOM 371 NH2 ARG A 45 -2.264 2.936 -17.097 1.00 99.99 N ATOM 0 H ARG A 45 -4.188 7.265 -14.116 1.00 99.99 H new ATOM 0 HA ARG A 45 -4.723 5.876 -16.476 1.00 99.99 H new ATOM 0 HB2 ARG A 45 -6.553 6.579 -14.141 1.00 99.99 H new ATOM 0 HB3 ARG A 45 -6.988 5.461 -15.419 1.00 99.99 H new ATOM 0 HG2 ARG A 45 -4.509 5.062 -13.693 1.00 99.99 H new ATOM 0 HG3 ARG A 45 -6.082 4.448 -13.223 1.00 99.99 H new ATOM 0 HD2 ARG A 45 -5.345 2.563 -14.336 1.00 99.99 H new ATOM 0 HD3 ARG A 45 -5.978 3.406 -15.736 1.00 99.99 H new ATOM 0 HE ARG A 45 -3.143 4.119 -15.076 1.00 99.99 H new ATOM 0 HH11 ARG A 45 -5.351 1.938 -16.875 1.00 99.99 H new ATOM 0 HH12 ARG A 45 -4.131 1.516 -18.081 1.00 99.99 H new ATOM 0 HH21 ARG A 45 -1.586 3.527 -16.616 1.00 99.99 H new ATOM 0 HH22 ARG A 45 -1.988 2.420 -17.932 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 -6.482 10.311 -17.743 1.00 99.99 C ATOM 388 O LEU A 46 -5.462 10.980 -17.581 1.00 0.00 O ATOM 389 CB LEU A 46 -7.518 10.844 -15.593 1.00 99.99 C ATOM 390 CG LEU A 46 -8.255 10.490 -14.277 1.00 99.99 C ATOM 391 CD1 LEU A 46 -8.243 11.731 -13.364 1.00 99.99 C ATOM 392 CD2 LEU A 46 -9.694 10.010 -14.497 1.00 99.99 C ATOM 0 H LEU A 46 -6.056 8.874 -15.017 1.00 99.99 H new ATOM 0 HA LEU A 46 -8.140 9.203 -16.843 1.00 99.99 H new ATOM 0 HB2 LEU A 46 -6.576 11.327 -15.333 1.00 99.99 H new ATOM 0 HB3 LEU A 46 -8.118 11.581 -16.127 1.00 99.99 H new ATOM 0 HG LEU A 46 -7.728 9.656 -13.814 1.00 99.99 H new ATOM 0 HD11 LEU A 46 -8.758 11.501 -12.431 1.00 99.99 H new ATOM 0 HD12 LEU A 46 -7.213 12.015 -13.149 1.00 99.99 H new ATOM 0 HD13 LEU A 46 -8.750 12.556 -13.865 1.00 99.99 H new ATOM 0 HD21 LEU A 46 -10.152 9.779 -13.535 1.00 99.99 H new ATOM 0 HD22 LEU A 46 -10.267 10.793 -14.993 1.00 99.99 H new ATOM 0 HD23 LEU A 46 -9.688 9.115 -15.120 1.00 99.99 H new TER 404 LEU A 46 ATOM 405 N SER B 22 -10.404 0.567 18.968 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 -7.863 1.421 18.459 1.00 99.99 O ATOM 409 CB SER B 22 -11.009 2.522 17.495 1.00 99.99 C ATOM 410 OG SER B 22 -10.770 3.522 18.482 1.00 99.99 O ATOM 0 HA SER B 22 -10.364 0.550 16.880 1.00 99.99 H new ATOM 0 HB2 SER B 22 -10.831 2.946 16.507 1.00 99.99 H new ATOM 0 HB3 SER B 22 -12.058 2.228 17.531 1.00 99.99 H new ATOM 0 HG SER B 22 -11.355 4.291 18.317 1.00 99.99 H new ATOM 415 N SER B 23 -8.279 2.100 16.333 1.00 99.99 N ATOM 416 CA SER B 23 -6.949 2.581 16.044 1.00 99.99 C ATOM 417 C SER B 23 -7.124 4.003 15.575 1.00 99.99 C ATOM 418 O SER B 23 -8.194 4.589 15.744 1.00 99.99 O ATOM 419 CB SER B 23 -6.223 1.727 14.976 1.00 99.99 C ATOM 420 OG SER B 23 -6.041 0.399 15.450 1.00 99.99 O ATOM 0 H SER B 23 -8.917 2.177 15.541 1.00 99.99 H new ATOM 0 HA SER B 23 -6.319 2.516 16.931 1.00 99.99 H new ATOM 0 HB2 SER B 23 -6.803 1.715 14.053 1.00 99.99 H new ATOM 0 HB3 SER B 23 -5.257 2.172 14.739 1.00 99.99 H new ATOM 0 HG SER B 23 -5.583 -0.133 14.766 1.00 99.99 H new ATOM 426 N ASP B 24 -6.055 4.609 14.996 1.00 99.99 N ATOM 427 CA ASP B 24 -6.023 6.013 14.627 1.00 99.99 C ATOM 428 C ASP B 24 -6.556 6.153 13.218 1.00 99.99 C ATOM 429 O ASP B 24 -6.414 5.208 12.449 1.00 99.99 O ATOM 430 CB ASP B 24 -4.582 6.594 14.665 1.00 99.99 C ATOM 431 CG ASP B 24 -3.989 6.539 16.077 1.00 99.99 C ATOM 432 OD1 ASP B 24 -4.766 6.449 17.066 1.00 99.99 O ATOM 433 OD2 ASP B 24 -2.735 6.599 16.182 1.00 99.99 O ATOM 0 H ASP B 24 -5.190 4.114 14.778 1.00 99.99 H new ATOM 0 HA ASP B 24 -6.631 6.564 15.345 1.00 99.99 H new ATOM 0 HB2 ASP B 24 -3.945 6.034 13.980 1.00 99.99 H new ATOM 0 HB3 ASP B 24 -4.596 7.626 14.315 1.00 99.99 H new ATOM 438 N PRO B 25 -7.186 7.257 12.808 1.00 99.99 N ATOM 439 CA PRO B 25 -8.007 7.293 11.608 1.00 99.99 C ATOM 440 C PRO B 25 -7.190 7.307 10.335 1.00 99.99 C ATOM 441 O PRO B 25 -7.742 6.925 9.315 1.00 99.99 O ATOM 442 CB PRO B 25 -8.835 8.583 11.741 1.00 99.99 C ATOM 443 CG PRO B 25 -8.012 9.465 12.682 1.00 99.99 C ATOM 444 CD PRO B 25 -7.391 8.445 13.633 1.00 99.99 C ATOM 0 HA PRO B 25 -8.624 6.397 11.532 1.00 99.99 H new ATOM 0 HB2 PRO B 25 -8.982 9.063 10.773 1.00 99.99 H new ATOM 0 HB3 PRO B 25 -9.825 8.380 12.150 1.00 99.99 H new ATOM 0 HG2 PRO B 25 -7.253 10.034 12.145 1.00 99.99 H new ATOM 0 HG3 PRO B 25 -8.635 10.186 13.211 1.00 99.99 H new ATOM 0 HD2 PRO B 25 -6.450 8.809 14.047 1.00 99.99 H new ATOM 0 HD3 PRO B 25 -8.050 8.235 14.476 1.00 99.99 H new ATOM 452 N LEU B 26 -5.912 7.747 10.375 1.00 99.99 N ATOM 453 CA LEU B 26 -4.930 7.727 9.298 1.00 99.99 C ATOM 454 C LEU B 26 -4.528 6.289 9.008 1.00 99.99 C ATOM 455 O LEU B 26 -4.416 5.932 7.863 1.00 99.99 O ATOM 456 CB LEU B 26 -3.637 8.474 9.653 1.00 99.99 C ATOM 457 CG LEU B 26 -2.461 8.318 8.661 1.00 99.99 C ATOM 458 CD1 LEU B 26 -2.768 8.908 7.283 1.00 99.99 C ATOM 459 CD2 LEU B 26 -1.187 8.943 9.246 1.00 99.99 C ATOM 0 H LEU B 26 -5.525 8.152 11.227 1.00 99.99 H new ATOM 0 HA LEU B 26 -5.404 8.214 8.445 1.00 99.99 H new ATOM 0 HB2 LEU B 26 -3.869 9.535 9.744 1.00 99.99 H new ATOM 0 HB3 LEU B 26 -3.304 8.135 10.634 1.00 99.99 H new ATOM 0 HG LEU B 26 -2.304 7.249 8.515 1.00 99.99 H new ATOM 0 HD11 LEU B 26 -1.908 8.770 6.628 1.00 99.99 H new ATOM 0 HD12 LEU B 26 -3.634 8.403 6.856 1.00 99.99 H new ATOM 0 HD13 LEU B 26 -2.981 9.972 7.382 1.00 99.99 H new ATOM 0 HD21 LEU B 26 -0.366 8.827 8.538 1.00 99.99 H new ATOM 0 HD22 LEU B 26 -1.356 10.003 9.435 1.00 99.99 H new ATOM 0 HD23 LEU B 26 -0.933 8.444 10.181 1.00 99.99 H new ATOM 471 N VAL B 27 -4.327 5.548 10.010 1.00 99.99 N ATOM 472 CA VAL B 27 -3.913 4.155 9.880 1.00 99.99 C ATOM 473 C VAL B 27 -5.061 3.341 9.301 1.00 99.99 C ATOM 474 O VAL B 27 -4.833 2.558 8.413 1.00 99.99 O ATOM 475 CB VAL B 27 -3.560 3.509 11.226 1.00 99.99 C ATOM 476 CG1 VAL B 27 -3.248 2.010 11.048 1.00 99.99 C ATOM 477 CG2 VAL B 27 -2.330 4.220 11.833 1.00 99.99 C ATOM 0 H VAL B 27 -4.437 5.861 10.974 1.00 99.99 H new ATOM 0 HA VAL B 27 -3.031 4.156 9.240 1.00 99.99 H new ATOM 0 HB VAL B 27 -4.415 3.611 11.894 1.00 99.99 H new ATOM 0 HG11 VAL B 27 -3.000 1.573 12.015 1.00 99.99 H new ATOM 0 HG12 VAL B 27 -4.120 1.504 10.633 1.00 99.99 H new ATOM 0 HG13 VAL B 27 -2.403 1.892 10.370 1.00 99.99 H new ATOM 0 HG21 VAL B 27 -2.079 3.761 12.789 1.00 99.99 H new ATOM 0 HG22 VAL B 27 -1.483 4.127 11.153 1.00 99.99 H new ATOM 0 HG23 VAL B 27 -2.558 5.275 11.986 1.00 99.99 H new ATOM 487 N VAL B 28 -6.202 3.536 9.803 1.00 99.99 N ATOM 488 CA VAL B 28 -7.385 2.806 9.363 1.00 99.99 C ATOM 489 C VAL B 28 -7.757 3.252 7.957 1.00 99.99 C ATOM 490 O VAL B 28 -8.053 2.420 7.138 1.00 99.99 O ATOM 491 CB VAL B 28 -8.613 3.073 10.243 1.00 99.99 C ATOM 492 CG1 VAL B 28 -9.881 2.427 9.646 1.00 99.99 C ATOM 493 CG2 VAL B 28 -8.362 2.533 11.665 1.00 99.99 C ATOM 0 H VAL B 28 -6.383 4.211 10.546 1.00 99.99 H new ATOM 0 HA VAL B 28 -7.130 1.748 9.416 1.00 99.99 H new ATOM 0 HB VAL B 28 -8.775 4.150 10.286 1.00 99.99 H new ATOM 0 HG11 VAL B 28 -10.734 2.634 10.293 1.00 99.99 H new ATOM 0 HG12 VAL B 28 -10.068 2.841 8.655 1.00 99.99 H new ATOM 0 HG13 VAL B 28 -9.738 1.349 9.568 1.00 99.99 H new ATOM 0 HG21 VAL B 28 -9.237 2.725 12.287 1.00 99.99 H new ATOM 0 HG22 VAL B 28 -8.178 1.460 11.619 1.00 99.99 H new ATOM 0 HG23 VAL B 28 -7.494 3.032 12.096 1.00 99.99 H new ATOM 503 N ALA B 29 -7.739 4.493 7.736 1.00 99.99 N ATOM 504 CA ALA B 29 -8.100 5.063 6.441 1.00 99.99 C ATOM 505 C ALA B 29 -7.158 4.522 5.376 1.00 99.99 C ATOM 506 O ALA B 29 -7.613 4.189 4.309 1.00 99.99 O ATOM 507 CB ALA B 29 -7.964 6.590 6.402 1.00 99.99 C ATOM 0 H ALA B 29 -7.474 5.186 8.436 1.00 99.99 H new ATOM 0 HA ALA B 29 -9.141 4.791 6.265 1.00 99.99 H new ATOM 0 HB1 ALA B 29 -8.246 6.955 5.415 1.00 99.99 H new ATOM 0 HB2 ALA B 29 -8.618 7.033 7.153 1.00 99.99 H new ATOM 0 HB3 ALA B 29 -6.931 6.869 6.611 1.00 99.99 H new ATOM 513 N ALA B 30 -5.935 4.461 5.679 1.00 99.99 N ATOM 514 CA ALA B 30 -4.922 3.986 4.745 1.00 99.99 C ATOM 515 C ALA B 30 -5.174 2.521 4.426 1.00 99.99 C ATOM 516 O ALA B 30 -4.953 2.119 3.310 1.00 99.99 O ATOM 517 CB ALA B 30 -3.499 4.064 5.317 1.00 99.99 C ATOM 0 H ALA B 30 -5.565 4.736 6.589 1.00 99.99 H new ATOM 0 HA ALA B 30 -4.994 4.628 3.867 1.00 99.99 H new ATOM 0 HB1 ALA B 30 -2.789 3.697 4.576 1.00 99.99 H new ATOM 0 HB2 ALA B 30 -3.263 5.099 5.565 1.00 99.99 H new ATOM 0 HB3 ALA B 30 -3.434 3.452 6.216 1.00 99.99 H new ATOM 523 N SER B 31 -5.607 1.806 5.369 1.00 99.99 N ATOM 524 CA SER B 31 -5.869 0.379 5.212 1.00 99.99 C ATOM 525 C SER B 31 -6.964 0.182 4.173 1.00 99.99 C ATOM 526 O SER B 31 -6.815 -0.651 3.315 1.00 99.99 O ATOM 527 CB SER B 31 -6.370 -0.283 6.501 1.00 99.99 C ATOM 528 OG SER B 31 -5.356 -0.269 7.505 1.00 99.99 O ATOM 0 H SER B 31 -5.805 2.165 6.303 1.00 99.99 H new ATOM 0 HA SER B 31 -4.922 -0.076 4.922 1.00 99.99 H new ATOM 0 HB2 SER B 31 -7.255 0.240 6.864 1.00 99.99 H new ATOM 0 HB3 SER B 31 -6.670 -1.310 6.295 1.00 99.99 H new ATOM 0 HG SER B 31 -5.204 0.652 7.803 1.00 99.99 H new ATOM 534 N ILE B 32 -7.986 0.915 4.284 1.00 99.99 N ATOM 535 CA ILE B 32 -9.121 0.814 3.375 1.00 99.99 C ATOM 536 C ILE B 32 -8.683 1.211 1.973 1.00 99.99 C ATOM 537 O ILE B 32 -9.125 0.610 1.029 1.00 99.99 O ATOM 538 CB ILE B 32 -10.273 1.756 3.752 1.00 99.99 C ATOM 539 CG1 ILE B 32 -10.881 1.337 5.109 1.00 99.99 C ATOM 540 CG2 ILE B 32 -11.364 1.756 2.661 1.00 99.99 C ATOM 541 CD1 ILE B 32 -11.783 2.417 5.721 1.00 99.99 C ATOM 0 H ILE B 32 -8.095 1.625 5.008 1.00 99.99 H new ATOM 0 HA ILE B 32 -9.467 -0.218 3.432 1.00 99.99 H new ATOM 0 HB ILE B 32 -9.873 2.766 3.837 1.00 99.99 H new ATOM 0 HG12 ILE B 32 -11.458 0.422 4.975 1.00 99.99 H new ATOM 0 HG13 ILE B 32 -10.075 1.106 5.806 1.00 99.99 H new ATOM 0 HG21 ILE B 32 -12.169 2.431 2.952 1.00 99.99 H new ATOM 0 HG22 ILE B 32 -10.934 2.089 1.716 1.00 99.99 H new ATOM 0 HG23 ILE B 32 -11.761 0.748 2.543 1.00 99.99 H new ATOM 0 HD11 ILE B 32 -12.180 2.063 6.673 1.00 99.99 H new ATOM 0 HD12 ILE B 32 -11.203 3.325 5.885 1.00 99.99 H new ATOM 0 HD13 ILE B 32 -12.608 2.631 5.041 1.00 99.99 H new ATOM 553 N ILE B 33 -7.869 2.171 1.889 1.00 99.99 N ATOM 554 CA ILE B 33 -7.385 2.676 0.609 1.00 99.99 C ATOM 555 C ILE B 33 -6.634 1.569 -0.118 1.00 99.99 C ATOM 556 O ILE B 33 -6.869 1.370 -1.282 1.00 99.99 O ATOM 557 CB ILE B 33 -6.395 3.840 0.760 1.00 99.99 C ATOM 558 CG1 ILE B 33 -7.200 5.149 0.954 1.00 99.99 C ATOM 559 CG2 ILE B 33 -5.444 3.953 -0.445 1.00 99.99 C ATOM 560 CD1 ILE B 33 -6.383 6.331 1.488 1.00 99.99 C ATOM 0 H ILE B 33 -7.491 2.662 2.699 1.00 99.99 H new ATOM 0 HA ILE B 33 -8.265 3.020 0.065 1.00 99.99 H new ATOM 0 HB ILE B 33 -5.766 3.655 1.630 1.00 99.99 H new ATOM 0 HG12 ILE B 33 -7.642 5.433 -0.001 1.00 99.99 H new ATOM 0 HG13 ILE B 33 -8.024 4.954 1.641 1.00 99.99 H new ATOM 0 HG21 ILE B 33 -4.762 4.790 -0.293 1.00 99.99 H new ATOM 0 HG22 ILE B 33 -4.871 3.031 -0.544 1.00 99.99 H new ATOM 0 HG23 ILE B 33 -6.025 4.118 -1.353 1.00 99.99 H new ATOM 0 HD11 ILE B 33 -7.029 7.203 1.592 1.00 99.99 H new ATOM 0 HD12 ILE B 33 -5.963 6.073 2.460 1.00 99.99 H new ATOM 0 HD13 ILE B 33 -5.575 6.559 0.792 1.00 99.99 H new ATOM 572 N GLY B 34 -5.796 0.916 0.563 1.00 99.99 N ATOM 573 CA GLY B 34 -4.990 -0.157 -0.013 1.00 99.99 C ATOM 574 C GLY B 34 -5.897 -1.306 -0.419 1.00 99.99 C ATOM 575 O GLY B 34 -5.658 -1.910 -1.434 1.00 99.99 O ATOM 0 H GLY B 34 -5.619 1.084 1.553 1.00 99.99 H new ATOM 0 HA2 GLY B 34 -4.440 0.211 -0.879 1.00 99.99 H new ATOM 0 HA3 GLY B 34 -4.251 -0.501 0.711 1.00 99.99 H new ATOM 579 N ILE B 35 -7.158 -1.245 -0.021 1.00 99.99 N ATOM 580 CA ILE B 35 -8.061 -2.274 -0.530 1.00 99.99 C ATOM 581 C ILE B 35 -8.770 -1.754 -1.771 1.00 99.99 C ATOM 582 O ILE B 35 -8.835 -2.459 -2.745 1.00 99.99 O ATOM 583 CB ILE B 35 -9.161 -2.651 0.471 1.00 99.99 C ATOM 584 CG1 ILE B 35 -8.535 -3.184 1.784 1.00 99.99 C ATOM 585 CG2 ILE B 35 -10.094 -3.712 -0.151 1.00 99.99 C ATOM 586 CD1 ILE B 35 -9.507 -3.297 2.962 1.00 99.99 C ATOM 0 H ILE B 35 -7.562 -0.550 0.607 1.00 99.99 H new ATOM 0 HA ILE B 35 -7.444 -3.149 -0.732 1.00 99.99 H new ATOM 0 HB ILE B 35 -9.746 -1.762 0.706 1.00 99.99 H new ATOM 0 HG12 ILE B 35 -8.104 -4.167 1.591 1.00 99.99 H new ATOM 0 HG13 ILE B 35 -7.714 -2.527 2.071 1.00 99.99 H new ATOM 0 HG21 ILE B 35 -10.873 -3.976 0.564 1.00 99.99 H new ATOM 0 HG22 ILE B 35 -10.552 -3.309 -1.054 1.00 99.99 H new ATOM 0 HG23 ILE B 35 -9.517 -4.601 -0.403 1.00 99.99 H new ATOM 0 HD11 ILE B 35 -8.978 -3.678 3.835 1.00 99.99 H new ATOM 0 HD12 ILE B 35 -9.920 -2.314 3.189 1.00 99.99 H new ATOM 0 HD13 ILE B 35 -10.316 -3.979 2.702 1.00 99.99 H new ATOM 598 N LEU B 36 -9.257 -0.592 -1.697 1.00 99.99 N ATOM 599 CA LEU B 36 -9.987 0.020 -2.802 1.00 99.99 C ATOM 600 C LEU B 36 -9.068 0.132 -4.010 1.00 99.99 C ATOM 601 O LEU B 36 -9.496 -0.150 -5.099 1.00 99.99 O ATOM 602 CB LEU B 36 -10.463 1.444 -2.487 1.00 99.99 C ATOM 603 CG LEU B 36 -11.127 2.196 -3.660 1.00 99.99 C ATOM 604 CD1 LEU B 36 -12.414 1.494 -4.112 1.00 99.99 C ATOM 605 CD2 LEU B 36 -11.404 3.659 -3.288 1.00 99.99 C ATOM 0 H LEU B 36 -9.179 0.001 -0.871 1.00 99.99 H new ATOM 0 HA LEU B 36 -10.853 -0.615 -2.986 1.00 99.99 H new ATOM 0 HB2 LEU B 36 -11.172 1.397 -1.660 1.00 99.99 H new ATOM 0 HB3 LEU B 36 -9.609 2.026 -2.142 1.00 99.99 H new ATOM 0 HG LEU B 36 -10.430 2.186 -4.498 1.00 99.99 H new ATOM 0 HD11 LEU B 36 -12.859 2.047 -4.939 1.00 99.99 H new ATOM 0 HD12 LEU B 36 -12.181 0.480 -4.437 1.00 99.99 H new ATOM 0 HD13 LEU B 36 -13.118 1.455 -3.281 1.00 99.99 H new ATOM 0 HD21 LEU B 36 -11.872 4.167 -4.132 1.00 99.99 H new ATOM 0 HD22 LEU B 36 -12.071 3.695 -2.427 1.00 99.99 H new ATOM 0 HD23 LEU B 36 -10.466 4.156 -3.041 1.00 99.99 H new ATOM 617 N HIS B 37 -7.802 0.567 -3.824 1.00 99.99 N ATOM 618 CA HIS B 37 -6.839 0.774 -4.878 1.00 99.99 C ATOM 619 C HIS B 37 -6.524 -0.536 -5.548 1.00 99.99 C ATOM 620 O HIS B 37 -6.175 -0.569 -6.726 1.00 99.99 O ATOM 621 CB HIS B 37 -5.527 1.390 -4.336 1.00 99.99 C ATOM 622 CG HIS B 37 -4.549 1.804 -5.406 1.00 99.99 C ATOM 623 ND1 HIS B 37 -3.231 2.056 -5.139 1.00 99.99 N ATOM 624 CD2 HIS B 37 -4.742 2.053 -6.723 1.00 99.99 C ATOM 625 CE1 HIS B 37 -2.641 2.436 -6.265 1.00 99.99 C ATOM 626 NE2 HIS B 37 -3.538 2.442 -7.241 1.00 99.99 N ATOM 0 H HIS B 37 -7.431 0.785 -2.899 1.00 99.99 H new ATOM 0 HA HIS B 37 -7.278 1.468 -5.594 1.00 99.99 H new ATOM 0 HB2 HIS B 37 -5.772 2.260 -3.727 1.00 99.99 H new ATOM 0 HB3 HIS B 37 -5.044 0.667 -3.679 1.00 99.99 H new ATOM 0 HD2 HIS B 37 -5.673 1.961 -7.263 1.00 99.99 H new ATOM 0 HE1 HIS B 37 -1.598 2.698 -6.369 1.00 99.99 H new ATOM 0 HE2 HIS B 37 -3.360 2.694 -8.213 1.00 99.99 H new ATOM 634 N LEU B 38 -6.687 -1.655 -4.801 1.00 99.99 N ATOM 635 CA LEU B 38 -6.441 -2.996 -5.318 1.00 99.99 C ATOM 636 C LEU B 38 -7.557 -3.378 -6.279 1.00 99.99 C ATOM 637 O LEU B 38 -7.274 -3.894 -7.330 1.00 99.99 O ATOM 638 CB LEU B 38 -6.431 -4.069 -4.219 1.00 99.99 C ATOM 639 CG LEU B 38 -6.196 -5.501 -4.758 1.00 99.99 C ATOM 640 CD1 LEU B 38 -4.858 -5.617 -5.502 1.00 99.99 C ATOM 641 CD2 LEU B 38 -6.285 -6.554 -3.653 1.00 99.99 C ATOM 0 H LEU B 38 -6.992 -1.639 -3.828 1.00 99.99 H new ATOM 0 HA LEU B 38 -5.462 -2.963 -5.797 1.00 99.99 H new ATOM 0 HB2 LEU B 38 -5.652 -3.829 -3.495 1.00 99.99 H new ATOM 0 HB3 LEU B 38 -7.381 -4.041 -3.686 1.00 99.99 H new ATOM 0 HG LEU B 38 -6.999 -5.696 -5.469 1.00 99.99 H new ATOM 0 HD11 LEU B 38 -4.731 -6.637 -5.865 1.00 99.99 H new ATOM 0 HD12 LEU B 38 -4.850 -4.928 -6.347 1.00 99.99 H new ATOM 0 HD13 LEU B 38 -4.042 -5.369 -4.824 1.00 99.99 H new ATOM 0 HD21 LEU B 38 -6.114 -7.543 -4.078 1.00 99.99 H new ATOM 0 HD22 LEU B 38 -5.530 -6.349 -2.894 1.00 99.99 H new ATOM 0 HD23 LEU B 38 -7.275 -6.521 -3.198 1.00 99.99 H new ATOM 653 N ILE B 39 -8.734 -3.129 -5.904 1.00 99.99 N ATOM 654 CA ILE B 39 -9.901 -3.466 -6.713 1.00 99.99 C ATOM 655 C ILE B 39 -9.854 -2.676 -8.012 1.00 99.99 C ATOM 656 O ILE B 39 -10.106 -3.239 -9.049 1.00 99.99 O ATOM 657 CB ILE B 39 -11.227 -3.100 -6.032 1.00 99.99 C ATOM 658 CG1 ILE B 39 -11.442 -3.993 -4.790 1.00 99.99 C ATOM 659 CG2 ILE B 39 -12.399 -3.260 -7.023 1.00 99.99 C ATOM 660 CD1 ILE B 39 -12.650 -3.585 -3.935 1.00 99.99 C ATOM 0 H ILE B 39 -8.959 -2.678 -5.017 1.00 99.99 H new ATOM 0 HA ILE B 39 -9.865 -4.544 -6.870 1.00 99.99 H new ATOM 0 HB ILE B 39 -11.188 -2.058 -5.713 1.00 99.99 H new ATOM 0 HG12 ILE B 39 -11.571 -5.026 -5.114 1.00 99.99 H new ATOM 0 HG13 ILE B 39 -10.544 -3.962 -4.172 1.00 99.99 H new ATOM 0 HG21 ILE B 39 -13.333 -2.997 -6.527 1.00 99.99 H new ATOM 0 HG22 ILE B 39 -12.245 -2.602 -7.878 1.00 99.99 H new ATOM 0 HG23 ILE B 39 -12.448 -4.294 -7.365 1.00 99.99 H new ATOM 0 HD11 ILE B 39 -12.736 -4.258 -3.082 1.00 99.99 H new ATOM 0 HD12 ILE B 39 -12.516 -2.564 -3.579 1.00 99.99 H new ATOM 0 HD13 ILE B 39 -13.557 -3.643 -4.536 1.00 99.99 H new ATOM 672 N LEU B 40 -9.558 -1.455 -7.922 1.00 99.99 N ATOM 673 CA LEU B 40 -9.501 -0.574 -9.082 1.00 99.99 C ATOM 674 C LEU B 40 -8.435 -1.076 -10.044 1.00 99.99 C ATOM 675 O LEU B 40 -8.675 -1.096 -11.225 1.00 99.99 O ATOM 676 CB LEU B 40 -9.116 0.866 -8.723 1.00 99.99 C ATOM 677 CG LEU B 40 -10.189 1.672 -7.957 1.00 99.99 C ATOM 678 CD1 LEU B 40 -9.621 3.050 -7.566 1.00 99.99 C ATOM 679 CD2 LEU B 40 -11.478 1.848 -8.770 1.00 99.99 C ATOM 0 H LEU B 40 -9.338 -0.993 -7.040 1.00 99.99 H new ATOM 0 HA LEU B 40 -10.500 -0.579 -9.517 1.00 99.99 H new ATOM 0 HB2 LEU B 40 -8.207 0.841 -8.121 1.00 99.99 H new ATOM 0 HB3 LEU B 40 -8.875 1.399 -9.643 1.00 99.99 H new ATOM 0 HG LEU B 40 -10.447 1.107 -7.062 1.00 99.99 H new ATOM 0 HD11 LEU B 40 -10.380 3.616 -7.026 1.00 99.99 H new ATOM 0 HD12 LEU B 40 -8.747 2.916 -6.929 1.00 99.99 H new ATOM 0 HD13 LEU B 40 -9.334 3.594 -8.466 1.00 99.99 H new ATOM 0 HD21 LEU B 40 -12.200 2.421 -8.188 1.00 99.99 H new ATOM 0 HD22 LEU B 40 -11.255 2.379 -9.695 1.00 99.99 H new ATOM 0 HD23 LEU B 40 -11.896 0.869 -9.005 1.00 99.99 H new ATOM 691 N TRP B 41 -7.341 -1.444 -9.534 1.00 99.99 N ATOM 692 CA TRP B 41 -6.224 -1.920 -10.339 1.00 99.99 C ATOM 693 C TRP B 41 -6.612 -3.231 -11.008 1.00 99.99 C ATOM 694 O TRP B 41 -6.321 -3.408 -12.165 1.00 99.99 O ATOM 695 CB TRP B 41 -4.968 -2.212 -9.506 1.00 99.99 C ATOM 696 CG TRP B 41 -3.758 -2.608 -10.332 1.00 99.99 C ATOM 697 CD1 TRP B 41 -2.943 -1.782 -11.044 1.00 99.99 C ATOM 698 CD2 TRP B 41 -3.318 -3.951 -10.600 1.00 99.99 C ATOM 699 NE1 TRP B 41 -1.971 -2.505 -11.674 1.00 99.99 N ATOM 700 CE2 TRP B 41 -2.204 -3.841 -11.452 1.00 99.99 C ATOM 701 CE3 TRP B 41 -3.790 -5.194 -10.165 1.00 99.99 C ATOM 702 CZ2 TRP B 41 -1.523 -4.972 -11.877 1.00 99.99 C ATOM 703 CZ3 TRP B 41 -3.108 -6.329 -10.609 1.00 99.99 C ATOM 704 CH2 TRP B 41 -1.988 -6.227 -11.452 1.00 99.99 C ATOM 0 H TRP B 41 -7.156 -1.437 -8.531 1.00 99.99 H new ATOM 0 HA TRP B 41 -6.002 -1.129 -11.055 1.00 99.99 H new ATOM 0 HB2 TRP B 41 -4.720 -1.328 -8.918 1.00 99.99 H new ATOM 0 HB3 TRP B 41 -5.191 -3.012 -8.800 1.00 99.99 H new ATOM 0 HD1 TRP B 41 -3.050 -0.709 -11.102 1.00 99.99 H new ATOM 0 HE1 TRP B 41 -1.200 -2.118 -12.219 1.00 99.99 H new ATOM 0 HE3 TRP B 41 -4.647 -5.273 -9.512 1.00 99.99 H new ATOM 0 HZ2 TRP B 41 -0.658 -4.890 -12.518 1.00 99.99 H new ATOM 0 HZ3 TRP B 41 -3.448 -7.306 -10.298 1.00 99.99 H new ATOM 0 HH2 TRP B 41 -1.480 -7.123 -11.776 1.00 99.99 H new ATOM 715 N ILE B 42 -7.217 -4.073 -10.288 1.00 99.99 N ATOM 716 CA ILE B 42 -7.624 -5.382 -10.792 1.00 99.99 C ATOM 717 C ILE B 42 -8.706 -5.199 -11.845 1.00 99.99 C ATOM 718 O ILE B 42 -8.661 -5.863 -12.851 1.00 99.99 O ATOM 719 CB ILE B 42 -8.225 -6.279 -9.705 1.00 99.99 C ATOM 720 CG1 ILE B 42 -7.120 -6.745 -8.728 1.00 99.99 C ATOM 721 CG2 ILE B 42 -8.936 -7.499 -10.329 1.00 99.99 C ATOM 722 CD1 ILE B 42 -7.651 -7.573 -7.548 1.00 99.99 C ATOM 0 H ILE B 42 -7.465 -3.907 -9.313 1.00 99.99 H new ATOM 0 HA ILE B 42 -6.724 -5.852 -11.187 1.00 99.99 H new ATOM 0 HB ILE B 42 -8.965 -5.699 -9.153 1.00 99.99 H new ATOM 0 HG12 ILE B 42 -6.388 -7.338 -9.277 1.00 99.99 H new ATOM 0 HG13 ILE B 42 -6.597 -5.871 -8.341 1.00 99.99 H new ATOM 0 HG21 ILE B 42 -9.354 -8.121 -9.537 1.00 99.99 H new ATOM 0 HG22 ILE B 42 -9.738 -7.157 -10.984 1.00 99.99 H new ATOM 0 HG23 ILE B 42 -8.219 -8.082 -10.907 1.00 99.99 H new ATOM 0 HD11 ILE B 42 -6.820 -7.865 -6.905 1.00 99.99 H new ATOM 0 HD12 ILE B 42 -8.361 -6.976 -6.975 1.00 99.99 H new ATOM 0 HD13 ILE B 42 -8.149 -8.466 -7.925 1.00 99.99 H new ATOM 734 N LEU B 43 -9.607 -4.354 -11.591 1.00 99.99 N ATOM 735 CA LEU B 43 -10.718 -4.099 -12.499 1.00 99.99 C ATOM 736 C LEU B 43 -10.179 -3.547 -13.812 1.00 99.99 C ATOM 737 O LEU B 43 -10.715 -3.862 -14.844 1.00 99.99 O ATOM 738 CB LEU B 43 -11.701 -3.051 -11.961 1.00 99.99 C ATOM 739 CG LEU B 43 -12.531 -3.522 -10.744 1.00 99.99 C ATOM 740 CD1 LEU B 43 -13.279 -2.330 -10.117 1.00 99.99 C ATOM 741 CD2 LEU B 43 -13.528 -4.629 -11.120 1.00 99.99 C ATOM 0 H LEU B 43 -9.628 -3.791 -10.741 1.00 99.99 H new ATOM 0 HA LEU B 43 -11.237 -5.050 -12.621 1.00 99.99 H new ATOM 0 HB2 LEU B 43 -11.144 -2.157 -11.682 1.00 99.99 H new ATOM 0 HB3 LEU B 43 -12.383 -2.764 -12.762 1.00 99.99 H new ATOM 0 HG LEU B 43 -11.835 -3.939 -10.016 1.00 99.99 H new ATOM 0 HD11 LEU B 43 -13.860 -2.674 -9.261 1.00 99.99 H new ATOM 0 HD12 LEU B 43 -12.559 -1.580 -9.789 1.00 99.99 H new ATOM 0 HD13 LEU B 43 -13.948 -1.891 -10.857 1.00 99.99 H new ATOM 0 HD21 LEU B 43 -14.089 -4.929 -10.235 1.00 99.99 H new ATOM 0 HD22 LEU B 43 -14.217 -4.256 -11.878 1.00 99.99 H new ATOM 0 HD23 LEU B 43 -12.986 -5.488 -11.515 1.00 99.99 H new ATOM 753 N ASP B 44 -9.189 -2.769 -13.732 1.00 99.99 N ATOM 754 CA ASP B 44 -8.589 -2.148 -14.905 1.00 99.99 C ATOM 755 C ASP B 44 -7.916 -3.218 -15.754 1.00 99.99 C ATOM 756 O ASP B 44 -7.988 -3.144 -16.955 1.00 99.99 O ATOM 757 CB ASP B 44 -7.498 -1.128 -14.551 1.00 99.99 C ATOM 758 CG ASP B 44 -6.933 -0.413 -15.794 1.00 99.99 C ATOM 759 OD1 ASP B 44 -7.691 0.354 -16.435 1.00 99.99 O ATOM 760 OD2 ASP B 44 -5.716 -0.580 -16.104 1.00 99.99 O ATOM 0 H ASP B 44 -8.738 -2.518 -12.852 1.00 99.99 H new ATOM 0 HA ASP B 44 -9.399 -1.640 -15.428 1.00 99.99 H new ATOM 0 HB2 ASP B 44 -7.907 -0.387 -13.864 1.00 99.99 H new ATOM 0 HB3 ASP B 44 -6.687 -1.635 -14.027 1.00 99.99 H new ATOM 765 N ARG B 45 -7.308 -4.131 -15.133 1.00 99.99 N ATOM 766 CA ARG B 45 -6.600 -5.206 -15.819 1.00 99.99 C ATOM 767 C ARG B 45 -7.599 -6.067 -16.575 1.00 99.99 C ATOM 768 O ARG B 45 -7.338 -6.417 -17.698 1.00 99.99 O ATOM 769 CB ARG B 45 -5.863 -6.146 -14.855 1.00 99.99 C ATOM 770 CG ARG B 45 -4.714 -5.466 -14.082 1.00 99.99 C ATOM 771 CD ARG B 45 -3.463 -5.234 -14.941 1.00 99.99 C ATOM 772 NE ARG B 45 -3.533 -3.847 -15.526 1.00 99.99 N ATOM 773 CZ ARG B 45 -2.837 -3.519 -16.631 1.00 99.99 C ATOM 774 NH1 ARG B 45 -2.032 -4.405 -17.245 1.00 99.99 N ATOM 775 NH2 ARG B 45 -2.936 -2.264 -17.097 1.00 99.99 N ATOM 0 H ARG B 45 -7.265 -4.188 -14.116 1.00 99.99 H new ATOM 0 HA ARG B 45 -5.876 -4.723 -16.476 1.00 99.99 H new ATOM 0 HB2 ARG B 45 -6.579 -6.553 -14.141 1.00 99.99 H new ATOM 0 HB3 ARG B 45 -5.461 -6.988 -15.419 1.00 99.99 H new ATOM 0 HG2 ARG B 45 -5.062 -4.509 -13.693 1.00 99.99 H new ATOM 0 HG3 ARG B 45 -4.448 -6.082 -13.223 1.00 99.99 H new ATOM 0 HD2 ARG B 45 -2.563 -5.345 -14.336 1.00 99.99 H new ATOM 0 HD3 ARG B 45 -3.406 -5.978 -15.736 1.00 99.99 H new ATOM 0 HE ARG B 45 -4.119 -3.143 -15.076 1.00 99.99 H new ATOM 0 HH11 ARG B 45 -1.938 -5.351 -16.875 1.00 99.99 H new ATOM 0 HH12 ARG B 45 -1.516 -4.131 -18.081 1.00 99.99 H new ATOM 0 HH21 ARG B 45 -3.527 -1.586 -16.616 1.00 99.99 H new ATOM 0 HH22 ARG B 45 -2.420 -1.988 -17.932 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 -10.311 -6.482 -17.743 1.00 99.99 C ATOM 792 O LEU B 46 -10.980 -5.462 -17.581 1.00 0.00 O ATOM 793 CB LEU B 46 -10.844 -7.518 -15.593 1.00 99.99 C ATOM 794 CG LEU B 46 -10.490 -8.255 -14.277 1.00 99.99 C ATOM 795 CD1 LEU B 46 -11.731 -8.243 -13.364 1.00 99.99 C ATOM 796 CD2 LEU B 46 -10.010 -9.694 -14.497 1.00 99.99 C ATOM 0 H LEU B 46 -8.874 -6.056 -15.017 1.00 99.99 H new ATOM 0 HA LEU B 46 -9.203 -8.140 -16.843 1.00 99.99 H new ATOM 0 HB2 LEU B 46 -11.327 -6.576 -15.333 1.00 99.99 H new ATOM 0 HB3 LEU B 46 -11.581 -8.118 -16.127 1.00 99.99 H new ATOM 0 HG LEU B 46 -9.656 -7.728 -13.814 1.00 99.99 H new ATOM 0 HD11 LEU B 46 -11.501 -8.758 -12.431 1.00 99.99 H new ATOM 0 HD12 LEU B 46 -12.015 -7.213 -13.149 1.00 99.99 H new ATOM 0 HD13 LEU B 46 -12.556 -8.750 -13.865 1.00 99.99 H new ATOM 0 HD21 LEU B 46 -9.779 -10.152 -13.535 1.00 99.99 H new ATOM 0 HD22 LEU B 46 -10.793 -10.267 -14.993 1.00 99.99 H new ATOM 0 HD23 LEU B 46 -9.115 -9.688 -15.120 1.00 99.99 H new TER 808 LEU B 46 ATOM 809 N SER C 22 -0.567 -10.404 18.968 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 -1.421 -7.863 18.459 1.00 99.99 O ATOM 813 CB SER C 22 -2.522 -11.009 17.495 1.00 99.99 C ATOM 814 OG SER C 22 -3.522 -10.770 18.482 1.00 99.99 O ATOM 0 HA SER C 22 -0.550 -10.364 16.880 1.00 99.99 H new ATOM 0 HB2 SER C 22 -2.946 -10.831 16.507 1.00 99.99 H new ATOM 0 HB3 SER C 22 -2.228 -12.058 17.531 1.00 99.99 H new ATOM 0 HG SER C 22 -4.291 -11.355 18.317 1.00 99.99 H new ATOM 819 N SER C 23 -2.100 -8.279 16.333 1.00 99.99 N ATOM 820 CA SER C 23 -2.581 -6.949 16.044 1.00 99.99 C ATOM 821 C SER C 23 -4.003 -7.124 15.575 1.00 99.99 C ATOM 822 O SER C 23 -4.589 -8.194 15.744 1.00 99.99 O ATOM 823 CB SER C 23 -1.727 -6.223 14.976 1.00 99.99 C ATOM 824 OG SER C 23 -0.399 -6.041 15.450 1.00 99.99 O ATOM 0 H SER C 23 -2.177 -8.917 15.541 1.00 99.99 H new ATOM 0 HA SER C 23 -2.516 -6.319 16.931 1.00 99.99 H new ATOM 0 HB2 SER C 23 -1.715 -6.803 14.053 1.00 99.99 H new ATOM 0 HB3 SER C 23 -2.172 -5.257 14.739 1.00 99.99 H new ATOM 0 HG SER C 23 0.133 -5.583 14.766 1.00 99.99 H new ATOM 830 N ASP C 24 -4.609 -6.055 14.996 1.00 99.99 N ATOM 831 CA ASP C 24 -6.013 -6.023 14.627 1.00 99.99 C ATOM 832 C ASP C 24 -6.153 -6.556 13.218 1.00 99.99 C ATOM 833 O ASP C 24 -5.208 -6.414 12.449 1.00 99.99 O ATOM 834 CB ASP C 24 -6.594 -4.582 14.665 1.00 99.99 C ATOM 835 CG ASP C 24 -6.539 -3.989 16.077 1.00 99.99 C ATOM 836 OD1 ASP C 24 -6.449 -4.766 17.066 1.00 99.99 O ATOM 837 OD2 ASP C 24 -6.599 -2.735 16.182 1.00 99.99 O ATOM 0 H ASP C 24 -4.114 -5.190 14.778 1.00 99.99 H new ATOM 0 HA ASP C 24 -6.564 -6.631 15.345 1.00 99.99 H new ATOM 0 HB2 ASP C 24 -6.034 -3.945 13.980 1.00 99.99 H new ATOM 0 HB3 ASP C 24 -7.626 -4.596 14.315 1.00 99.99 H new ATOM 842 N PRO C 25 -7.257 -7.186 12.808 1.00 99.99 N ATOM 843 CA PRO C 25 -7.293 -8.007 11.608 1.00 99.99 C ATOM 844 C PRO C 25 -7.307 -7.190 10.335 1.00 99.99 C ATOM 845 O PRO C 25 -6.925 -7.742 9.315 1.00 99.99 O ATOM 846 CB PRO C 25 -8.583 -8.835 11.741 1.00 99.99 C ATOM 847 CG PRO C 25 -9.465 -8.012 12.682 1.00 99.99 C ATOM 848 CD PRO C 25 -8.445 -7.391 13.633 1.00 99.99 C ATOM 0 HA PRO C 25 -6.397 -8.624 11.532 1.00 99.99 H new ATOM 0 HB2 PRO C 25 -9.063 -8.982 10.773 1.00 99.99 H new ATOM 0 HB3 PRO C 25 -8.380 -9.825 12.150 1.00 99.99 H new ATOM 0 HG2 PRO C 25 -10.034 -7.253 12.145 1.00 99.99 H new ATOM 0 HG3 PRO C 25 -10.186 -8.635 13.211 1.00 99.99 H new ATOM 0 HD2 PRO C 25 -8.809 -6.450 14.047 1.00 99.99 H new ATOM 0 HD3 PRO C 25 -8.235 -8.050 14.476 1.00 99.99 H new ATOM 856 N LEU C 26 -7.747 -5.912 10.375 1.00 99.99 N ATOM 857 CA LEU C 26 -7.727 -4.930 9.298 1.00 99.99 C ATOM 858 C LEU C 26 -6.289 -4.528 9.008 1.00 99.99 C ATOM 859 O LEU C 26 -5.932 -4.416 7.863 1.00 99.99 O ATOM 860 CB LEU C 26 -8.474 -3.637 9.653 1.00 99.99 C ATOM 861 CG LEU C 26 -8.318 -2.461 8.661 1.00 99.99 C ATOM 862 CD1 LEU C 26 -8.908 -2.768 7.283 1.00 99.99 C ATOM 863 CD2 LEU C 26 -8.943 -1.187 9.246 1.00 99.99 C ATOM 0 H LEU C 26 -8.152 -5.525 11.227 1.00 99.99 H new ATOM 0 HA LEU C 26 -8.214 -5.404 8.445 1.00 99.99 H new ATOM 0 HB2 LEU C 26 -9.535 -3.869 9.744 1.00 99.99 H new ATOM 0 HB3 LEU C 26 -8.135 -3.304 10.634 1.00 99.99 H new ATOM 0 HG LEU C 26 -7.249 -2.304 8.515 1.00 99.99 H new ATOM 0 HD11 LEU C 26 -8.770 -1.908 6.628 1.00 99.99 H new ATOM 0 HD12 LEU C 26 -8.403 -3.634 6.856 1.00 99.99 H new ATOM 0 HD13 LEU C 26 -9.972 -2.981 7.382 1.00 99.99 H new ATOM 0 HD21 LEU C 26 -8.827 -0.366 8.538 1.00 99.99 H new ATOM 0 HD22 LEU C 26 -10.003 -1.356 9.435 1.00 99.99 H new ATOM 0 HD23 LEU C 26 -8.444 -0.933 10.181 1.00 99.99 H new ATOM 875 N VAL C 27 -5.548 -4.327 10.010 1.00 99.99 N ATOM 876 CA VAL C 27 -4.155 -3.913 9.880 1.00 99.99 C ATOM 877 C VAL C 27 -3.341 -5.061 9.301 1.00 99.99 C ATOM 878 O VAL C 27 -2.558 -4.833 8.413 1.00 99.99 O ATOM 879 CB VAL C 27 -3.509 -3.560 11.226 1.00 99.99 C ATOM 880 CG1 VAL C 27 -2.010 -3.248 11.048 1.00 99.99 C ATOM 881 CG2 VAL C 27 -4.220 -2.330 11.833 1.00 99.99 C ATOM 0 H VAL C 27 -5.861 -4.437 10.974 1.00 99.99 H new ATOM 0 HA VAL C 27 -4.156 -3.031 9.240 1.00 99.99 H new ATOM 0 HB VAL C 27 -3.611 -4.415 11.894 1.00 99.99 H new ATOM 0 HG11 VAL C 27 -1.573 -3.000 12.015 1.00 99.99 H new ATOM 0 HG12 VAL C 27 -1.504 -4.120 10.633 1.00 99.99 H new ATOM 0 HG13 VAL C 27 -1.892 -2.403 10.370 1.00 99.99 H new ATOM 0 HG21 VAL C 27 -3.761 -2.079 12.789 1.00 99.99 H new ATOM 0 HG22 VAL C 27 -4.127 -1.483 11.153 1.00 99.99 H new ATOM 0 HG23 VAL C 27 -5.275 -2.558 11.986 1.00 99.99 H new ATOM 891 N VAL C 28 -3.536 -6.202 9.803 1.00 99.99 N ATOM 892 CA VAL C 28 -2.806 -7.385 9.363 1.00 99.99 C ATOM 893 C VAL C 28 -3.252 -7.757 7.957 1.00 99.99 C ATOM 894 O VAL C 28 -2.420 -8.053 7.138 1.00 99.99 O ATOM 895 CB VAL C 28 -3.073 -8.613 10.243 1.00 99.99 C ATOM 896 CG1 VAL C 28 -2.427 -9.881 9.646 1.00 99.99 C ATOM 897 CG2 VAL C 28 -2.533 -8.362 11.665 1.00 99.99 C ATOM 0 H VAL C 28 -4.211 -6.383 10.546 1.00 99.99 H new ATOM 0 HA VAL C 28 -1.748 -7.130 9.416 1.00 99.99 H new ATOM 0 HB VAL C 28 -4.150 -8.775 10.286 1.00 99.99 H new ATOM 0 HG11 VAL C 28 -2.634 -10.734 10.293 1.00 99.99 H new ATOM 0 HG12 VAL C 28 -2.841 -10.068 8.655 1.00 99.99 H new ATOM 0 HG13 VAL C 28 -1.349 -9.738 9.568 1.00 99.99 H new ATOM 0 HG21 VAL C 28 -2.725 -9.237 12.287 1.00 99.99 H new ATOM 0 HG22 VAL C 28 -1.460 -8.178 11.619 1.00 99.99 H new ATOM 0 HG23 VAL C 28 -3.032 -7.494 12.096 1.00 99.99 H new ATOM 907 N ALA C 29 -4.493 -7.739 7.736 1.00 99.99 N ATOM 908 CA ALA C 29 -5.063 -8.100 6.441 1.00 99.99 C ATOM 909 C ALA C 29 -4.522 -7.158 5.376 1.00 99.99 C ATOM 910 O ALA C 29 -4.189 -7.613 4.309 1.00 99.99 O ATOM 911 CB ALA C 29 -6.590 -7.964 6.402 1.00 99.99 C ATOM 0 H ALA C 29 -5.186 -7.474 8.436 1.00 99.99 H new ATOM 0 HA ALA C 29 -4.791 -9.141 6.265 1.00 99.99 H new ATOM 0 HB1 ALA C 29 -6.955 -8.246 5.415 1.00 99.99 H new ATOM 0 HB2 ALA C 29 -7.033 -8.618 7.153 1.00 99.99 H new ATOM 0 HB3 ALA C 29 -6.869 -6.931 6.611 1.00 99.99 H new ATOM 917 N ALA C 30 -4.461 -5.935 5.679 1.00 99.99 N ATOM 918 CA ALA C 30 -3.986 -4.922 4.745 1.00 99.99 C ATOM 919 C ALA C 30 -2.521 -5.174 4.426 1.00 99.99 C ATOM 920 O ALA C 30 -2.119 -4.953 3.310 1.00 99.99 O ATOM 921 CB ALA C 30 -4.064 -3.499 5.317 1.00 99.99 C ATOM 0 H ALA C 30 -4.736 -5.565 6.589 1.00 99.99 H new ATOM 0 HA ALA C 30 -4.628 -4.994 3.867 1.00 99.99 H new ATOM 0 HB1 ALA C 30 -3.697 -2.789 4.576 1.00 99.99 H new ATOM 0 HB2 ALA C 30 -5.099 -3.263 5.565 1.00 99.99 H new ATOM 0 HB3 ALA C 30 -3.452 -3.434 6.216 1.00 99.99 H new ATOM 927 N SER C 31 -1.806 -5.607 5.369 1.00 99.99 N ATOM 928 CA SER C 31 -0.379 -5.869 5.212 1.00 99.99 C ATOM 929 C SER C 31 -0.182 -6.964 4.173 1.00 99.99 C ATOM 930 O SER C 31 0.651 -6.815 3.315 1.00 99.99 O ATOM 931 CB SER C 31 0.283 -6.370 6.501 1.00 99.99 C ATOM 932 OG SER C 31 0.269 -5.356 7.505 1.00 99.99 O ATOM 0 H SER C 31 -2.165 -5.805 6.303 1.00 99.99 H new ATOM 0 HA SER C 31 0.076 -4.922 4.922 1.00 99.99 H new ATOM 0 HB2 SER C 31 -0.240 -7.255 6.864 1.00 99.99 H new ATOM 0 HB3 SER C 31 1.310 -6.670 6.295 1.00 99.99 H new ATOM 0 HG SER C 31 -0.654 -5.192 7.792 1.00 99.99 H new ATOM 938 N ILE C 32 -0.915 -7.986 4.284 1.00 99.99 N ATOM 939 CA ILE C 32 -0.814 -9.121 3.375 1.00 99.99 C ATOM 940 C ILE C 32 -1.211 -8.683 1.973 1.00 99.99 C ATOM 941 O ILE C 32 -0.610 -9.125 1.029 1.00 99.99 O ATOM 942 CB ILE C 32 -1.756 -10.273 3.752 1.00 99.99 C ATOM 943 CG1 ILE C 32 -1.337 -10.881 5.109 1.00 99.99 C ATOM 944 CG2 ILE C 32 -1.756 -11.364 2.661 1.00 99.99 C ATOM 945 CD1 ILE C 32 -2.417 -11.783 5.721 1.00 99.99 C ATOM 0 H ILE C 32 -1.625 -8.095 5.008 1.00 99.99 H new ATOM 0 HA ILE C 32 0.218 -9.467 3.432 1.00 99.99 H new ATOM 0 HB ILE C 32 -2.766 -9.873 3.837 1.00 99.99 H new ATOM 0 HG12 ILE C 32 -0.422 -11.458 4.975 1.00 99.99 H new ATOM 0 HG13 ILE C 32 -1.106 -10.075 5.806 1.00 99.99 H new ATOM 0 HG21 ILE C 32 -2.431 -12.169 2.952 1.00 99.99 H new ATOM 0 HG22 ILE C 32 -2.089 -10.934 1.716 1.00 99.99 H new ATOM 0 HG23 ILE C 32 -0.748 -11.761 2.543 1.00 99.99 H new ATOM 0 HD11 ILE C 32 -2.063 -12.180 6.673 1.00 99.99 H new ATOM 0 HD12 ILE C 32 -3.325 -11.203 5.885 1.00 99.99 H new ATOM 0 HD13 ILE C 32 -2.631 -12.608 5.041 1.00 99.99 H new ATOM 957 N ILE C 33 -2.171 -7.869 1.889 1.00 99.99 N ATOM 958 CA ILE C 33 -2.676 -7.385 0.609 1.00 99.99 C ATOM 959 C ILE C 33 -1.569 -6.634 -0.118 1.00 99.99 C ATOM 960 O ILE C 33 -1.370 -6.869 -1.282 1.00 99.99 O ATOM 961 CB ILE C 33 -3.840 -6.395 0.760 1.00 99.99 C ATOM 962 CG1 ILE C 33 -5.149 -7.200 0.954 1.00 99.99 C ATOM 963 CG2 ILE C 33 -3.953 -5.444 -0.445 1.00 99.99 C ATOM 964 CD1 ILE C 33 -6.331 -6.383 1.488 1.00 99.99 C ATOM 0 H ILE C 33 -2.662 -7.491 2.699 1.00 99.99 H new ATOM 0 HA ILE C 33 -3.020 -8.265 0.065 1.00 99.99 H new ATOM 0 HB ILE C 33 -3.655 -5.766 1.630 1.00 99.99 H new ATOM 0 HG12 ILE C 33 -5.433 -7.642 -0.001 1.00 99.99 H new ATOM 0 HG13 ILE C 33 -4.954 -8.024 1.641 1.00 99.99 H new ATOM 0 HG21 ILE C 33 -4.790 -4.762 -0.293 1.00 99.99 H new ATOM 0 HG22 ILE C 33 -3.031 -4.871 -0.544 1.00 99.99 H new ATOM 0 HG23 ILE C 33 -4.118 -6.025 -1.353 1.00 99.99 H new ATOM 0 HD11 ILE C 33 -7.203 -7.029 1.592 1.00 99.99 H new ATOM 0 HD12 ILE C 33 -6.073 -5.963 2.460 1.00 99.99 H new ATOM 0 HD13 ILE C 33 -6.559 -5.575 0.792 1.00 99.99 H new ATOM 976 N GLY C 34 -0.916 -5.796 0.563 1.00 99.99 N ATOM 977 CA GLY C 34 0.157 -4.990 -0.013 1.00 99.99 C ATOM 978 C GLY C 34 1.306 -5.897 -0.419 1.00 99.99 C ATOM 979 O GLY C 34 1.910 -5.658 -1.434 1.00 99.99 O ATOM 0 H GLY C 34 -1.084 -5.619 1.553 1.00 99.99 H new ATOM 0 HA2 GLY C 34 -0.211 -4.440 -0.879 1.00 99.99 H new ATOM 0 HA3 GLY C 34 0.501 -4.251 0.711 1.00 99.99 H new ATOM 983 N ILE C 35 1.245 -7.158 -0.021 1.00 99.99 N ATOM 984 CA ILE C 35 2.274 -8.061 -0.530 1.00 99.99 C ATOM 985 C ILE C 35 1.754 -8.770 -1.771 1.00 99.99 C ATOM 986 O ILE C 35 2.459 -8.835 -2.745 1.00 99.99 O ATOM 987 CB ILE C 35 2.651 -9.161 0.471 1.00 99.99 C ATOM 988 CG1 ILE C 35 3.184 -8.535 1.784 1.00 99.99 C ATOM 989 CG2 ILE C 35 3.712 -10.094 -0.151 1.00 99.99 C ATOM 990 CD1 ILE C 35 3.297 -9.507 2.962 1.00 99.99 C ATOM 0 H ILE C 35 0.550 -7.562 0.607 1.00 99.99 H new ATOM 0 HA ILE C 35 3.149 -7.444 -0.732 1.00 99.99 H new ATOM 0 HB ILE C 35 1.762 -9.746 0.706 1.00 99.99 H new ATOM 0 HG12 ILE C 35 4.167 -8.104 1.591 1.00 99.99 H new ATOM 0 HG13 ILE C 35 2.527 -7.714 2.071 1.00 99.99 H new ATOM 0 HG21 ILE C 35 3.976 -10.873 0.564 1.00 99.99 H new ATOM 0 HG22 ILE C 35 3.309 -10.552 -1.054 1.00 99.99 H new ATOM 0 HG23 ILE C 35 4.601 -9.517 -0.403 1.00 99.99 H new ATOM 0 HD11 ILE C 35 3.678 -8.978 3.835 1.00 99.99 H new ATOM 0 HD12 ILE C 35 2.314 -9.920 3.189 1.00 99.99 H new ATOM 0 HD13 ILE C 35 3.979 -10.316 2.702 1.00 99.99 H new ATOM 1002 N LEU C 36 0.592 -9.257 -1.697 1.00 99.99 N ATOM 1003 CA LEU C 36 -0.020 -9.987 -2.802 1.00 99.99 C ATOM 1004 C LEU C 36 -0.132 -9.068 -4.010 1.00 99.99 C ATOM 1005 O LEU C 36 0.150 -9.496 -5.099 1.00 99.99 O ATOM 1006 CB LEU C 36 -1.444 -10.463 -2.487 1.00 99.99 C ATOM 1007 CG LEU C 36 -2.196 -11.127 -3.660 1.00 99.99 C ATOM 1008 CD1 LEU C 36 -1.494 -12.414 -4.112 1.00 99.99 C ATOM 1009 CD2 LEU C 36 -3.659 -11.404 -3.288 1.00 99.99 C ATOM 0 H LEU C 36 -0.001 -9.179 -0.871 1.00 99.99 H new ATOM 0 HA LEU C 36 0.615 -10.853 -2.986 1.00 99.99 H new ATOM 0 HB2 LEU C 36 -1.397 -11.172 -1.660 1.00 99.99 H new ATOM 0 HB3 LEU C 36 -2.026 -9.609 -2.142 1.00 99.99 H new ATOM 0 HG LEU C 36 -2.186 -10.430 -4.498 1.00 99.99 H new ATOM 0 HD11 LEU C 36 -2.047 -12.859 -4.939 1.00 99.99 H new ATOM 0 HD12 LEU C 36 -0.480 -12.181 -4.437 1.00 99.99 H new ATOM 0 HD13 LEU C 36 -1.455 -13.118 -3.281 1.00 99.99 H new ATOM 0 HD21 LEU C 36 -4.167 -11.872 -4.132 1.00 99.99 H new ATOM 0 HD22 LEU C 36 -3.695 -12.071 -2.427 1.00 99.99 H new ATOM 0 HD23 LEU C 36 -4.156 -10.466 -3.041 1.00 99.99 H new ATOM 1021 N HIS C 37 -0.567 -7.802 -3.824 1.00 99.99 N ATOM 1022 CA HIS C 37 -0.774 -6.839 -4.878 1.00 99.99 C ATOM 1023 C HIS C 37 0.536 -6.524 -5.548 1.00 99.99 C ATOM 1024 O HIS C 37 0.569 -6.175 -6.726 1.00 99.99 O ATOM 1025 CB HIS C 37 -1.390 -5.527 -4.336 1.00 99.99 C ATOM 1026 CG HIS C 37 -1.804 -4.549 -5.406 1.00 99.99 C ATOM 1027 ND1 HIS C 37 -2.056 -3.231 -5.139 1.00 99.99 N ATOM 1028 CD2 HIS C 37 -2.053 -4.742 -6.723 1.00 99.99 C ATOM 1029 CE1 HIS C 37 -2.436 -2.641 -6.265 1.00 99.99 C ATOM 1030 NE2 HIS C 37 -2.442 -3.538 -7.241 1.00 99.99 N ATOM 0 H HIS C 37 -0.785 -7.431 -2.899 1.00 99.99 H new ATOM 0 HA HIS C 37 -1.468 -7.278 -5.594 1.00 99.99 H new ATOM 0 HB2 HIS C 37 -2.260 -5.772 -3.727 1.00 99.99 H new ATOM 0 HB3 HIS C 37 -0.667 -5.044 -3.679 1.00 99.99 H new ATOM 0 HD2 HIS C 37 -1.961 -5.673 -7.263 1.00 99.99 H new ATOM 0 HE1 HIS C 37 -2.698 -1.598 -6.369 1.00 99.99 H new ATOM 0 HE2 HIS C 37 -2.694 -3.360 -8.213 1.00 99.99 H new ATOM 1038 N LEU C 38 1.655 -6.687 -4.801 1.00 99.99 N ATOM 1039 CA LEU C 38 2.996 -6.441 -5.318 1.00 99.99 C ATOM 1040 C LEU C 38 3.378 -7.557 -6.279 1.00 99.99 C ATOM 1041 O LEU C 38 3.894 -7.274 -7.330 1.00 99.99 O ATOM 1042 CB LEU C 38 4.069 -6.431 -4.219 1.00 99.99 C ATOM 1043 CG LEU C 38 5.501 -6.196 -4.758 1.00 99.99 C ATOM 1044 CD1 LEU C 38 5.617 -4.858 -5.502 1.00 99.99 C ATOM 1045 CD2 LEU C 38 6.554 -6.285 -3.653 1.00 99.99 C ATOM 0 H LEU C 38 1.639 -6.992 -3.828 1.00 99.99 H new ATOM 0 HA LEU C 38 2.963 -5.462 -5.797 1.00 99.99 H new ATOM 0 HB2 LEU C 38 3.829 -5.652 -3.495 1.00 99.99 H new ATOM 0 HB3 LEU C 38 4.041 -7.381 -3.686 1.00 99.99 H new ATOM 0 HG LEU C 38 5.696 -6.999 -5.469 1.00 99.99 H new ATOM 0 HD11 LEU C 38 6.637 -4.731 -5.865 1.00 99.99 H new ATOM 0 HD12 LEU C 38 4.928 -4.850 -6.347 1.00 99.99 H new ATOM 0 HD13 LEU C 38 5.369 -4.042 -4.824 1.00 99.99 H new ATOM 0 HD21 LEU C 38 7.543 -6.114 -4.078 1.00 99.99 H new ATOM 0 HD22 LEU C 38 6.349 -5.530 -2.894 1.00 99.99 H new ATOM 0 HD23 LEU C 38 6.521 -7.275 -3.198 1.00 99.99 H new ATOM 1057 N ILE C 39 3.129 -8.734 -5.904 1.00 99.99 N ATOM 1058 CA ILE C 39 3.466 -9.901 -6.713 1.00 99.99 C ATOM 1059 C ILE C 39 2.676 -9.854 -8.012 1.00 99.99 C ATOM 1060 O ILE C 39 3.239 -10.106 -9.049 1.00 99.99 O ATOM 1061 CB ILE C 39 3.100 -11.227 -6.032 1.00 99.99 C ATOM 1062 CG1 ILE C 39 3.993 -11.442 -4.790 1.00 99.99 C ATOM 1063 CG2 ILE C 39 3.260 -12.399 -7.023 1.00 99.99 C ATOM 1064 CD1 ILE C 39 3.585 -12.650 -3.935 1.00 99.99 C ATOM 0 H ILE C 39 2.678 -8.959 -5.017 1.00 99.99 H new ATOM 0 HA ILE C 39 4.544 -9.865 -6.870 1.00 99.99 H new ATOM 0 HB ILE C 39 2.058 -11.188 -5.713 1.00 99.99 H new ATOM 0 HG12 ILE C 39 5.026 -11.571 -5.114 1.00 99.99 H new ATOM 0 HG13 ILE C 39 3.962 -10.544 -4.172 1.00 99.99 H new ATOM 0 HG21 ILE C 39 2.997 -13.333 -6.527 1.00 99.99 H new ATOM 0 HG22 ILE C 39 2.602 -12.245 -7.878 1.00 99.99 H new ATOM 0 HG23 ILE C 39 4.294 -12.448 -7.365 1.00 99.99 H new ATOM 0 HD11 ILE C 39 4.258 -12.736 -3.082 1.00 99.99 H new ATOM 0 HD12 ILE C 39 2.564 -12.516 -3.579 1.00 99.99 H new ATOM 0 HD13 ILE C 39 3.643 -13.557 -4.536 1.00 99.99 H new ATOM 1076 N LEU C 40 1.455 -9.558 -7.922 1.00 99.99 N ATOM 1077 CA LEU C 40 0.574 -9.501 -9.082 1.00 99.99 C ATOM 1078 C LEU C 40 1.076 -8.435 -10.044 1.00 99.99 C ATOM 1079 O LEU C 40 1.096 -8.675 -11.225 1.00 99.99 O ATOM 1080 CB LEU C 40 -0.866 -9.116 -8.723 1.00 99.99 C ATOM 1081 CG LEU C 40 -1.672 -10.189 -7.957 1.00 99.99 C ATOM 1082 CD1 LEU C 40 -3.050 -9.621 -7.566 1.00 99.99 C ATOM 1083 CD2 LEU C 40 -1.848 -11.478 -8.770 1.00 99.99 C ATOM 0 H LEU C 40 0.993 -9.338 -7.040 1.00 99.99 H new ATOM 0 HA LEU C 40 0.579 -10.500 -9.517 1.00 99.99 H new ATOM 0 HB2 LEU C 40 -0.841 -8.207 -8.121 1.00 99.99 H new ATOM 0 HB3 LEU C 40 -1.399 -8.875 -9.643 1.00 99.99 H new ATOM 0 HG LEU C 40 -1.107 -10.447 -7.062 1.00 99.99 H new ATOM 0 HD11 LEU C 40 -3.616 -10.380 -7.026 1.00 99.99 H new ATOM 0 HD12 LEU C 40 -2.916 -8.747 -6.929 1.00 99.99 H new ATOM 0 HD13 LEU C 40 -3.594 -9.334 -8.466 1.00 99.99 H new ATOM 0 HD21 LEU C 40 -2.421 -12.200 -8.188 1.00 99.99 H new ATOM 0 HD22 LEU C 40 -2.379 -11.255 -9.695 1.00 99.99 H new ATOM 0 HD23 LEU C 40 -0.869 -11.896 -9.005 1.00 99.99 H new ATOM 1095 N TRP C 41 1.444 -7.341 -9.534 1.00 99.99 N ATOM 1096 CA TRP C 41 1.920 -6.224 -10.339 1.00 99.99 C ATOM 1097 C TRP C 41 3.231 -6.612 -11.008 1.00 99.99 C ATOM 1098 O TRP C 41 3.408 -6.321 -12.165 1.00 99.99 O ATOM 1099 CB TRP C 41 2.212 -4.968 -9.506 1.00 99.99 C ATOM 1100 CG TRP C 41 2.608 -3.758 -10.332 1.00 99.99 C ATOM 1101 CD1 TRP C 41 1.782 -2.943 -11.044 1.00 99.99 C ATOM 1102 CD2 TRP C 41 3.951 -3.318 -10.600 1.00 99.99 C ATOM 1103 NE1 TRP C 41 2.505 -1.971 -11.674 1.00 99.99 N ATOM 1104 CE2 TRP C 41 3.841 -2.204 -11.452 1.00 99.99 C ATOM 1105 CE3 TRP C 41 5.194 -3.790 -10.165 1.00 99.99 C ATOM 1106 CZ2 TRP C 41 4.972 -1.523 -11.877 1.00 99.99 C ATOM 1107 CZ3 TRP C 41 6.329 -3.108 -10.609 1.00 99.99 C ATOM 1108 CH2 TRP C 41 6.227 -1.988 -11.452 1.00 99.99 C ATOM 0 H TRP C 41 1.437 -7.156 -8.531 1.00 99.99 H new ATOM 0 HA TRP C 41 1.129 -6.002 -11.055 1.00 99.99 H new ATOM 0 HB2 TRP C 41 1.328 -4.720 -8.918 1.00 99.99 H new ATOM 0 HB3 TRP C 41 3.012 -5.191 -8.800 1.00 99.99 H new ATOM 0 HD1 TRP C 41 0.709 -3.050 -11.102 1.00 99.99 H new ATOM 0 HE1 TRP C 41 2.118 -1.200 -12.219 1.00 99.99 H new ATOM 0 HE3 TRP C 41 5.273 -4.647 -9.512 1.00 99.99 H new ATOM 0 HZ2 TRP C 41 4.890 -0.658 -12.518 1.00 99.99 H new ATOM 0 HZ3 TRP C 41 7.306 -3.448 -10.298 1.00 99.99 H new ATOM 0 HH2 TRP C 41 7.123 -1.480 -11.776 1.00 99.99 H new ATOM 1119 N ILE C 42 4.073 -7.217 -10.288 1.00 99.99 N ATOM 1120 CA ILE C 42 5.382 -7.624 -10.792 1.00 99.99 C ATOM 1121 C ILE C 42 5.199 -8.706 -11.845 1.00 99.99 C ATOM 1122 O ILE C 42 5.863 -8.661 -12.851 1.00 99.99 O ATOM 1123 CB ILE C 42 6.279 -8.225 -9.705 1.00 99.99 C ATOM 1124 CG1 ILE C 42 6.745 -7.120 -8.728 1.00 99.99 C ATOM 1125 CG2 ILE C 42 7.499 -8.936 -10.329 1.00 99.99 C ATOM 1126 CD1 ILE C 42 7.573 -7.651 -7.548 1.00 99.99 C ATOM 0 H ILE C 42 3.907 -7.465 -9.313 1.00 99.99 H new ATOM 0 HA ILE C 42 5.852 -6.724 -11.187 1.00 99.99 H new ATOM 0 HB ILE C 42 5.699 -8.965 -9.153 1.00 99.99 H new ATOM 0 HG12 ILE C 42 7.338 -6.388 -9.277 1.00 99.99 H new ATOM 0 HG13 ILE C 42 5.871 -6.597 -8.341 1.00 99.99 H new ATOM 0 HG21 ILE C 42 8.121 -9.354 -9.537 1.00 99.99 H new ATOM 0 HG22 ILE C 42 7.157 -9.738 -10.984 1.00 99.99 H new ATOM 0 HG23 ILE C 42 8.082 -8.219 -10.907 1.00 99.99 H new ATOM 0 HD11 ILE C 42 7.865 -6.820 -6.905 1.00 99.99 H new ATOM 0 HD12 ILE C 42 6.976 -8.361 -6.975 1.00 99.99 H new ATOM 0 HD13 ILE C 42 8.466 -8.149 -7.925 1.00 99.99 H new ATOM 1138 N LEU C 43 4.354 -9.607 -11.591 1.00 99.99 N ATOM 1139 CA LEU C 43 4.099 -10.718 -12.499 1.00 99.99 C ATOM 1140 C LEU C 43 3.547 -10.179 -13.812 1.00 99.99 C ATOM 1141 O LEU C 43 3.862 -10.715 -14.844 1.00 99.99 O ATOM 1142 CB LEU C 43 3.051 -11.701 -11.961 1.00 99.99 C ATOM 1143 CG LEU C 43 3.522 -12.531 -10.744 1.00 99.99 C ATOM 1144 CD1 LEU C 43 2.330 -13.279 -10.117 1.00 99.99 C ATOM 1145 CD2 LEU C 43 4.629 -13.528 -11.120 1.00 99.99 C ATOM 0 H LEU C 43 3.791 -9.628 -10.741 1.00 99.99 H new ATOM 0 HA LEU C 43 5.050 -11.237 -12.621 1.00 99.99 H new ATOM 0 HB2 LEU C 43 2.157 -11.144 -11.682 1.00 99.99 H new ATOM 0 HB3 LEU C 43 2.764 -12.383 -12.762 1.00 99.99 H new ATOM 0 HG LEU C 43 3.939 -11.835 -10.016 1.00 99.99 H new ATOM 0 HD11 LEU C 43 2.674 -13.860 -9.261 1.00 99.99 H new ATOM 0 HD12 LEU C 43 1.580 -12.559 -9.789 1.00 99.99 H new ATOM 0 HD13 LEU C 43 1.891 -13.948 -10.857 1.00 99.99 H new ATOM 0 HD21 LEU C 43 4.929 -14.089 -10.235 1.00 99.99 H new ATOM 0 HD22 LEU C 43 4.256 -14.217 -11.878 1.00 99.99 H new ATOM 0 HD23 LEU C 43 5.488 -12.986 -11.515 1.00 99.99 H new ATOM 1157 N ASP C 44 2.769 -9.189 -13.732 1.00 99.99 N ATOM 1158 CA ASP C 44 2.148 -8.589 -14.905 1.00 99.99 C ATOM 1159 C ASP C 44 3.218 -7.916 -15.754 1.00 99.99 C ATOM 1160 O ASP C 44 3.144 -7.988 -16.955 1.00 99.99 O ATOM 1161 CB ASP C 44 1.128 -7.498 -14.551 1.00 99.99 C ATOM 1162 CG ASP C 44 0.413 -6.933 -15.794 1.00 99.99 C ATOM 1163 OD1 ASP C 44 -0.354 -7.691 -16.435 1.00 99.99 O ATOM 1164 OD2 ASP C 44 0.580 -5.716 -16.104 1.00 99.99 O ATOM 0 H ASP C 44 2.518 -8.738 -12.852 1.00 99.99 H new ATOM 0 HA ASP C 44 1.640 -9.399 -15.428 1.00 99.99 H new ATOM 0 HB2 ASP C 44 0.387 -7.907 -13.864 1.00 99.99 H new ATOM 0 HB3 ASP C 44 1.635 -6.687 -14.027 1.00 99.99 H new ATOM 1169 N ARG C 45 4.131 -7.308 -15.133 1.00 99.99 N ATOM 1170 CA ARG C 45 5.206 -6.600 -15.819 1.00 99.99 C ATOM 1171 C ARG C 45 6.067 -7.599 -16.575 1.00 99.99 C ATOM 1172 O ARG C 45 6.417 -7.338 -17.698 1.00 99.99 O ATOM 1173 CB ARG C 45 6.146 -5.863 -14.855 1.00 99.99 C ATOM 1174 CG ARG C 45 5.466 -4.714 -14.082 1.00 99.99 C ATOM 1175 CD ARG C 45 5.234 -3.463 -14.941 1.00 99.99 C ATOM 1176 NE ARG C 45 3.847 -3.533 -15.526 1.00 99.99 N ATOM 1177 CZ ARG C 45 3.519 -2.837 -16.631 1.00 99.99 C ATOM 1178 NH1 ARG C 45 4.405 -2.032 -17.245 1.00 99.99 N ATOM 1179 NH2 ARG C 45 2.264 -2.936 -17.097 1.00 99.99 N ATOM 0 H ARG C 45 4.188 -7.265 -14.116 1.00 99.99 H new ATOM 0 HA ARG C 45 4.723 -5.876 -16.476 1.00 99.99 H new ATOM 0 HB2 ARG C 45 6.553 -6.579 -14.141 1.00 99.99 H new ATOM 0 HB3 ARG C 45 6.988 -5.461 -15.419 1.00 99.99 H new ATOM 0 HG2 ARG C 45 4.509 -5.062 -13.693 1.00 99.99 H new ATOM 0 HG3 ARG C 45 6.082 -4.448 -13.223 1.00 99.99 H new ATOM 0 HD2 ARG C 45 5.345 -2.563 -14.336 1.00 99.99 H new ATOM 0 HD3 ARG C 45 5.978 -3.406 -15.736 1.00 99.99 H new ATOM 0 HE ARG C 45 3.143 -4.119 -15.076 1.00 99.99 H new ATOM 0 HH11 ARG C 45 5.351 -1.938 -16.875 1.00 99.99 H new ATOM 0 HH12 ARG C 45 4.131 -1.516 -18.081 1.00 99.99 H new ATOM 0 HH21 ARG C 45 1.586 -3.527 -16.616 1.00 99.99 H new ATOM 0 HH22 ARG C 45 1.988 -2.420 -17.932 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 6.482 -10.311 -17.743 1.00 99.99 C ATOM 1196 O LEU C 46 5.462 -10.980 -17.581 1.00 99.99 O ATOM 1197 CB LEU C 46 7.518 -10.844 -15.593 1.00 99.99 C ATOM 1198 CG LEU C 46 8.255 -10.490 -14.277 1.00 99.99 C ATOM 1199 CD1 LEU C 46 8.243 -11.731 -13.364 1.00 99.99 C ATOM 1200 CD2 LEU C 46 9.694 -10.010 -14.497 1.00 99.99 C ATOM 0 H LEU C 46 6.056 -8.874 -15.017 1.00 99.99 H new ATOM 0 HA LEU C 46 8.140 -9.203 -16.843 1.00 99.99 H new ATOM 0 HB2 LEU C 46 6.576 -11.327 -15.333 1.00 99.99 H new ATOM 0 HB3 LEU C 46 8.118 -11.581 -16.127 1.00 99.99 H new ATOM 0 HG LEU C 46 7.728 -9.656 -13.814 1.00 99.99 H new ATOM 0 HD11 LEU C 46 8.758 -11.501 -12.431 1.00 99.99 H new ATOM 0 HD12 LEU C 46 7.213 -12.015 -13.149 1.00 99.99 H new ATOM 0 HD13 LEU C 46 8.750 -12.556 -13.865 1.00 99.99 H new ATOM 0 HD21 LEU C 46 10.152 -9.779 -13.535 1.00 99.99 H new ATOM 0 HD22 LEU C 46 10.267 -10.793 -14.993 1.00 99.99 H new ATOM 0 HD23 LEU C 46 9.688 -9.115 -15.120 1.00 99.99 H new TER 1212 LEU C 46 ATOM 1213 N SER D 22 10.404 -0.567 18.968 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 7.863 -1.421 18.459 1.00 99.99 O ATOM 1217 CB SER D 22 11.009 -2.522 17.495 1.00 99.99 C ATOM 1218 OG SER D 22 10.770 -3.522 18.482 1.00 99.99 O ATOM 0 HA SER D 22 10.364 -0.550 16.880 1.00 99.99 H new ATOM 0 HB2 SER D 22 10.831 -2.946 16.507 1.00 99.99 H new ATOM 0 HB3 SER D 22 12.058 -2.228 17.531 1.00 99.99 H new ATOM 0 HG SER D 22 11.355 -4.291 18.317 1.00 99.99 H new ATOM 1223 N SER D 23 8.279 -2.100 16.333 1.00 99.99 N ATOM 1224 CA SER D 23 6.949 -2.581 16.044 1.00 99.99 C ATOM 1225 C SER D 23 7.124 -4.003 15.575 1.00 99.99 C ATOM 1226 O SER D 23 8.194 -4.589 15.744 1.00 99.99 O ATOM 1227 CB SER D 23 6.223 -1.727 14.976 1.00 99.99 C ATOM 1228 OG SER D 23 6.041 -0.399 15.450 1.00 99.99 O ATOM 0 H SER D 23 8.917 -2.177 15.541 1.00 99.99 H new ATOM 0 HA SER D 23 6.319 -2.516 16.931 1.00 99.99 H new ATOM 0 HB2 SER D 23 6.803 -1.715 14.053 1.00 99.99 H new ATOM 0 HB3 SER D 23 5.257 -2.172 14.739 1.00 99.99 H new ATOM 0 HG SER D 23 5.583 0.133 14.766 1.00 99.99 H new ATOM 1234 N ASP D 24 6.055 -4.609 14.996 1.00 99.99 N ATOM 1235 CA ASP D 24 6.023 -6.013 14.627 1.00 99.99 C ATOM 1236 C ASP D 24 6.556 -6.153 13.218 1.00 99.99 C ATOM 1237 O ASP D 24 6.414 -5.208 12.449 1.00 99.99 O ATOM 1238 CB ASP D 24 4.582 -6.594 14.665 1.00 99.99 C ATOM 1239 CG ASP D 24 3.989 -6.539 16.077 1.00 99.99 C ATOM 1240 OD1 ASP D 24 4.766 -6.449 17.066 1.00 99.99 O ATOM 1241 OD2 ASP D 24 2.735 -6.599 16.182 1.00 99.99 O ATOM 0 H ASP D 24 5.190 -4.114 14.778 1.00 99.99 H new ATOM 0 HA ASP D 24 6.631 -6.564 15.345 1.00 99.99 H new ATOM 0 HB2 ASP D 24 3.945 -6.034 13.980 1.00 99.99 H new ATOM 0 HB3 ASP D 24 4.596 -7.626 14.315 1.00 99.99 H new ATOM 1246 N PRO D 25 7.186 -7.257 12.808 1.00 99.99 N ATOM 1247 CA PRO D 25 8.007 -7.293 11.608 1.00 99.99 C ATOM 1248 C PRO D 25 7.190 -7.307 10.335 1.00 99.99 C ATOM 1249 O PRO D 25 7.742 -6.925 9.315 1.00 99.99 O ATOM 1250 CB PRO D 25 8.835 -8.583 11.741 1.00 99.99 C ATOM 1251 CG PRO D 25 8.012 -9.465 12.682 1.00 99.99 C ATOM 1252 CD PRO D 25 7.391 -8.445 13.633 1.00 99.99 C ATOM 0 HA PRO D 25 8.624 -6.397 11.532 1.00 99.99 H new ATOM 0 HB2 PRO D 25 8.982 -9.063 10.773 1.00 99.99 H new ATOM 0 HB3 PRO D 25 9.825 -8.380 12.150 1.00 99.99 H new ATOM 0 HG2 PRO D 25 7.253 -10.034 12.145 1.00 99.99 H new ATOM 0 HG3 PRO D 25 8.635 -10.186 13.211 1.00 99.99 H new ATOM 0 HD2 PRO D 25 6.450 -8.809 14.047 1.00 99.99 H new ATOM 0 HD3 PRO D 25 8.050 -8.235 14.476 1.00 99.99 H new ATOM 1260 N LEU D 26 5.912 -7.747 10.375 1.00 99.99 N ATOM 1261 CA LEU D 26 4.930 -7.727 9.298 1.00 99.99 C ATOM 1262 C LEU D 26 4.528 -6.289 9.008 1.00 99.99 C ATOM 1263 O LEU D 26 4.416 -5.932 7.863 1.00 99.99 O ATOM 1264 CB LEU D 26 3.637 -8.474 9.653 1.00 99.99 C ATOM 1265 CG LEU D 26 2.461 -8.318 8.661 1.00 99.99 C ATOM 1266 CD1 LEU D 26 2.768 -8.908 7.283 1.00 99.99 C ATOM 1267 CD2 LEU D 26 1.187 -8.943 9.246 1.00 99.99 C ATOM 0 H LEU D 26 5.525 -8.152 11.227 1.00 99.99 H new ATOM 0 HA LEU D 26 5.404 -8.214 8.445 1.00 99.99 H new ATOM 0 HB2 LEU D 26 3.869 -9.535 9.744 1.00 99.99 H new ATOM 0 HB3 LEU D 26 3.304 -8.135 10.634 1.00 99.99 H new ATOM 0 HG LEU D 26 2.304 -7.249 8.515 1.00 99.99 H new ATOM 0 HD11 LEU D 26 1.908 -8.770 6.628 1.00 99.99 H new ATOM 0 HD12 LEU D 26 3.634 -8.403 6.856 1.00 99.99 H new ATOM 0 HD13 LEU D 26 2.981 -9.972 7.382 1.00 99.99 H new ATOM 0 HD21 LEU D 26 0.366 -8.827 8.538 1.00 99.99 H new ATOM 0 HD22 LEU D 26 1.356 -10.003 9.435 1.00 99.99 H new ATOM 0 HD23 LEU D 26 0.933 -8.444 10.181 1.00 99.99 H new ATOM 1279 N VAL D 27 4.327 -5.548 10.010 1.00 99.99 N ATOM 1280 CA VAL D 27 3.913 -4.155 9.880 1.00 99.99 C ATOM 1281 C VAL D 27 5.061 -3.341 9.301 1.00 99.99 C ATOM 1282 O VAL D 27 4.833 -2.558 8.413 1.00 99.99 O ATOM 1283 CB VAL D 27 3.560 -3.509 11.226 1.00 99.99 C ATOM 1284 CG1 VAL D 27 3.248 -2.010 11.048 1.00 99.99 C ATOM 1285 CG2 VAL D 27 2.330 -4.220 11.833 1.00 99.99 C ATOM 0 H VAL D 27 4.437 -5.861 10.974 1.00 99.99 H new ATOM 0 HA VAL D 27 3.031 -4.156 9.240 1.00 99.99 H new ATOM 0 HB VAL D 27 4.415 -3.611 11.894 1.00 99.99 H new ATOM 0 HG11 VAL D 27 3.000 -1.573 12.015 1.00 99.99 H new ATOM 0 HG12 VAL D 27 4.120 -1.504 10.633 1.00 99.99 H new ATOM 0 HG13 VAL D 27 2.403 -1.892 10.370 1.00 99.99 H new ATOM 0 HG21 VAL D 27 2.079 -3.761 12.789 1.00 99.99 H new ATOM 0 HG22 VAL D 27 1.483 -4.127 11.153 1.00 99.99 H new ATOM 0 HG23 VAL D 27 2.558 -5.275 11.986 1.00 99.99 H new ATOM 1295 N VAL D 28 6.202 -3.536 9.803 1.00 99.99 N ATOM 1296 CA VAL D 28 7.385 -2.806 9.363 1.00 99.99 C ATOM 1297 C VAL D 28 7.757 -3.252 7.957 1.00 99.99 C ATOM 1298 O VAL D 28 8.053 -2.420 7.138 1.00 99.99 O ATOM 1299 CB VAL D 28 8.613 -3.073 10.243 1.00 99.99 C ATOM 1300 CG1 VAL D 28 9.881 -2.427 9.646 1.00 99.99 C ATOM 1301 CG2 VAL D 28 8.362 -2.533 11.665 1.00 99.99 C ATOM 0 H VAL D 28 6.383 -4.211 10.546 1.00 99.99 H new ATOM 0 HA VAL D 28 7.130 -1.748 9.416 1.00 99.99 H new ATOM 0 HB VAL D 28 8.775 -4.150 10.286 1.00 99.99 H new ATOM 0 HG11 VAL D 28 10.734 -2.634 10.293 1.00 99.99 H new ATOM 0 HG12 VAL D 28 10.068 -2.841 8.655 1.00 99.99 H new ATOM 0 HG13 VAL D 28 9.738 -1.349 9.568 1.00 99.99 H new ATOM 0 HG21 VAL D 28 9.237 -2.725 12.287 1.00 99.99 H new ATOM 0 HG22 VAL D 28 8.178 -1.460 11.619 1.00 99.99 H new ATOM 0 HG23 VAL D 28 7.494 -3.032 12.096 1.00 99.99 H new ATOM 1311 N ALA D 29 7.739 -4.493 7.736 1.00 99.99 N ATOM 1312 CA ALA D 29 8.100 -5.063 6.441 1.00 99.99 C ATOM 1313 C ALA D 29 7.158 -4.522 5.376 1.00 99.99 C ATOM 1314 O ALA D 29 7.613 -4.189 4.309 1.00 99.99 O ATOM 1315 CB ALA D 29 7.964 -6.590 6.402 1.00 99.99 C ATOM 0 H ALA D 29 7.474 -5.186 8.436 1.00 99.99 H new ATOM 0 HA ALA D 29 9.141 -4.791 6.265 1.00 99.99 H new ATOM 0 HB1 ALA D 29 8.246 -6.955 5.415 1.00 99.99 H new ATOM 0 HB2 ALA D 29 8.618 -7.033 7.153 1.00 99.99 H new ATOM 0 HB3 ALA D 29 6.931 -6.869 6.611 1.00 99.99 H new ATOM 1321 N ALA D 30 5.935 -4.461 5.679 1.00 99.99 N ATOM 1322 CA ALA D 30 4.922 -3.986 4.745 1.00 99.99 C ATOM 1323 C ALA D 30 5.174 -2.521 4.426 1.00 99.99 C ATOM 1324 O ALA D 30 4.953 -2.119 3.310 1.00 99.99 O ATOM 1325 CB ALA D 30 3.499 -4.064 5.317 1.00 99.99 C ATOM 0 H ALA D 30 5.565 -4.736 6.589 1.00 99.99 H new ATOM 0 HA ALA D 30 4.994 -4.628 3.867 1.00 99.99 H new ATOM 0 HB1 ALA D 30 2.789 -3.697 4.576 1.00 99.99 H new ATOM 0 HB2 ALA D 30 3.263 -5.099 5.565 1.00 99.99 H new ATOM 0 HB3 ALA D 30 3.434 -3.452 6.216 1.00 99.99 H new ATOM 1331 N SER D 31 5.607 -1.806 5.369 1.00 99.99 N ATOM 1332 CA SER D 31 5.869 -0.379 5.212 1.00 99.99 C ATOM 1333 C SER D 31 6.964 -0.182 4.173 1.00 99.99 C ATOM 1334 O SER D 31 6.815 0.651 3.315 1.00 99.99 O ATOM 1335 CB SER D 31 6.370 0.283 6.501 1.00 99.99 C ATOM 1336 OG SER D 31 5.356 0.269 7.505 1.00 99.99 O ATOM 0 H SER D 31 5.805 -2.165 6.303 1.00 99.99 H new ATOM 0 HA SER D 31 4.922 0.076 4.922 1.00 99.99 H new ATOM 0 HB2 SER D 31 7.255 -0.240 6.864 1.00 99.99 H new ATOM 0 HB3 SER D 31 6.670 1.310 6.295 1.00 99.99 H new ATOM 0 HG SER D 31 5.204 -0.652 7.803 1.00 99.99 H new ATOM 1342 N ILE D 32 7.986 -0.915 4.284 1.00 99.99 N ATOM 1343 CA ILE D 32 9.121 -0.814 3.375 1.00 99.99 C ATOM 1344 C ILE D 32 8.683 -1.211 1.973 1.00 99.99 C ATOM 1345 O ILE D 32 9.125 -0.610 1.029 1.00 99.99 O ATOM 1346 CB ILE D 32 10.273 -1.756 3.752 1.00 99.99 C ATOM 1347 CG1 ILE D 32 10.881 -1.337 5.109 1.00 99.99 C ATOM 1348 CG2 ILE D 32 11.364 -1.756 2.661 1.00 99.99 C ATOM 1349 CD1 ILE D 32 11.783 -2.417 5.721 1.00 99.99 C ATOM 0 H ILE D 32 8.095 -1.625 5.008 1.00 99.99 H new ATOM 0 HA ILE D 32 9.467 0.218 3.432 1.00 99.99 H new ATOM 0 HB ILE D 32 9.873 -2.766 3.837 1.00 99.99 H new ATOM 0 HG12 ILE D 32 11.458 -0.422 4.975 1.00 99.99 H new ATOM 0 HG13 ILE D 32 10.075 -1.106 5.806 1.00 99.99 H new ATOM 0 HG21 ILE D 32 12.169 -2.431 2.952 1.00 99.99 H new ATOM 0 HG22 ILE D 32 10.934 -2.089 1.716 1.00 99.99 H new ATOM 0 HG23 ILE D 32 11.761 -0.748 2.543 1.00 99.99 H new ATOM 0 HD11 ILE D 32 12.180 -2.063 6.673 1.00 99.99 H new ATOM 0 HD12 ILE D 32 11.203 -3.325 5.885 1.00 99.99 H new ATOM 0 HD13 ILE D 32 12.608 -2.631 5.041 1.00 99.99 H new ATOM 1361 N ILE D 33 7.869 -2.171 1.889 1.00 99.99 N ATOM 1362 CA ILE D 33 7.385 -2.676 0.609 1.00 99.99 C ATOM 1363 C ILE D 33 6.634 -1.569 -0.118 1.00 99.99 C ATOM 1364 O ILE D 33 6.869 -1.370 -1.282 1.00 99.99 O ATOM 1365 CB ILE D 33 6.395 -3.840 0.760 1.00 99.99 C ATOM 1366 CG1 ILE D 33 7.200 -5.149 0.954 1.00 99.99 C ATOM 1367 CG2 ILE D 33 5.444 -3.953 -0.445 1.00 99.99 C ATOM 1368 CD1 ILE D 33 6.383 -6.331 1.488 1.00 99.99 C ATOM 0 H ILE D 33 7.491 -2.662 2.699 1.00 99.99 H new ATOM 0 HA ILE D 33 8.265 -3.020 0.065 1.00 99.99 H new ATOM 0 HB ILE D 33 5.766 -3.655 1.630 1.00 99.99 H new ATOM 0 HG12 ILE D 33 7.642 -5.433 -0.001 1.00 99.99 H new ATOM 0 HG13 ILE D 33 8.024 -4.954 1.641 1.00 99.99 H new ATOM 0 HG21 ILE D 33 4.762 -4.790 -0.293 1.00 99.99 H new ATOM 0 HG22 ILE D 33 4.871 -3.031 -0.544 1.00 99.99 H new ATOM 0 HG23 ILE D 33 6.025 -4.118 -1.353 1.00 99.99 H new ATOM 0 HD11 ILE D 33 7.029 -7.203 1.592 1.00 99.99 H new ATOM 0 HD12 ILE D 33 5.963 -6.073 2.460 1.00 99.99 H new ATOM 0 HD13 ILE D 33 5.575 -6.559 0.792 1.00 99.99 H new ATOM 1380 N GLY D 34 5.796 -0.916 0.563 1.00 99.99 N ATOM 1381 CA GLY D 34 4.990 0.157 -0.013 1.00 99.99 C ATOM 1382 C GLY D 34 5.897 1.306 -0.419 1.00 99.99 C ATOM 1383 O GLY D 34 5.658 1.910 -1.434 1.00 99.99 O ATOM 0 H GLY D 34 5.619 -1.084 1.553 1.00 99.99 H new ATOM 0 HA2 GLY D 34 4.440 -0.211 -0.879 1.00 99.99 H new ATOM 0 HA3 GLY D 34 4.251 0.501 0.711 1.00 99.99 H new ATOM 1387 N ILE D 35 7.158 1.245 -0.021 1.00 99.99 N ATOM 1388 CA ILE D 35 8.061 2.274 -0.530 1.00 99.99 C ATOM 1389 C ILE D 35 8.770 1.754 -1.771 1.00 99.99 C ATOM 1390 O ILE D 35 8.835 2.459 -2.745 1.00 99.99 O ATOM 1391 CB ILE D 35 9.161 2.651 0.471 1.00 99.99 C ATOM 1392 CG1 ILE D 35 8.535 3.184 1.784 1.00 99.99 C ATOM 1393 CG2 ILE D 35 10.094 3.712 -0.151 1.00 99.99 C ATOM 1394 CD1 ILE D 35 9.507 3.297 2.962 1.00 99.99 C ATOM 0 H ILE D 35 7.562 0.550 0.607 1.00 99.99 H new ATOM 0 HA ILE D 35 7.444 3.149 -0.732 1.00 99.99 H new ATOM 0 HB ILE D 35 9.746 1.762 0.706 1.00 99.99 H new ATOM 0 HG12 ILE D 35 8.104 4.167 1.591 1.00 99.99 H new ATOM 0 HG13 ILE D 35 7.714 2.527 2.071 1.00 99.99 H new ATOM 0 HG21 ILE D 35 10.873 3.976 0.564 1.00 99.99 H new ATOM 0 HG22 ILE D 35 10.552 3.309 -1.054 1.00 99.99 H new ATOM 0 HG23 ILE D 35 9.517 4.601 -0.403 1.00 99.99 H new ATOM 0 HD11 ILE D 35 8.978 3.678 3.835 1.00 99.99 H new ATOM 0 HD12 ILE D 35 9.920 2.314 3.189 1.00 99.99 H new ATOM 0 HD13 ILE D 35 10.316 3.979 2.702 1.00 99.99 H new ATOM 1406 N LEU D 36 9.257 0.592 -1.697 1.00 99.99 N ATOM 1407 CA LEU D 36 9.987 -0.020 -2.802 1.00 99.99 C ATOM 1408 C LEU D 36 9.068 -0.132 -4.010 1.00 99.99 C ATOM 1409 O LEU D 36 9.496 0.150 -5.099 1.00 99.99 O ATOM 1410 CB LEU D 36 10.463 -1.444 -2.487 1.00 99.99 C ATOM 1411 CG LEU D 36 11.127 -2.196 -3.660 1.00 99.99 C ATOM 1412 CD1 LEU D 36 12.414 -1.494 -4.112 1.00 99.99 C ATOM 1413 CD2 LEU D 36 11.404 -3.659 -3.288 1.00 99.99 C ATOM 0 H LEU D 36 9.179 -0.001 -0.871 1.00 99.99 H new ATOM 0 HA LEU D 36 10.853 0.615 -2.986 1.00 99.99 H new ATOM 0 HB2 LEU D 36 11.172 -1.397 -1.660 1.00 99.99 H new ATOM 0 HB3 LEU D 36 9.609 -2.026 -2.142 1.00 99.99 H new ATOM 0 HG LEU D 36 10.430 -2.186 -4.498 1.00 99.99 H new ATOM 0 HD11 LEU D 36 12.859 -2.047 -4.939 1.00 99.99 H new ATOM 0 HD12 LEU D 36 12.181 -0.480 -4.437 1.00 99.99 H new ATOM 0 HD13 LEU D 36 13.118 -1.455 -3.281 1.00 99.99 H new ATOM 0 HD21 LEU D 36 11.872 -4.167 -4.132 1.00 99.99 H new ATOM 0 HD22 LEU D 36 12.071 -3.695 -2.427 1.00 99.99 H new ATOM 0 HD23 LEU D 36 10.466 -4.156 -3.041 1.00 99.99 H new ATOM 1425 N HIS D 37 7.802 -0.567 -3.824 1.00 99.99 N ATOM 1426 CA HIS D 37 6.839 -0.774 -4.878 1.00 99.99 C ATOM 1427 C HIS D 37 6.524 0.536 -5.548 1.00 99.99 C ATOM 1428 O HIS D 37 6.175 0.569 -6.726 1.00 99.99 O ATOM 1429 CB HIS D 37 5.527 -1.390 -4.336 1.00 99.99 C ATOM 1430 CG HIS D 37 4.549 -1.804 -5.406 1.00 99.99 C ATOM 1431 ND1 HIS D 37 3.231 -2.056 -5.139 1.00 99.99 N ATOM 1432 CD2 HIS D 37 4.742 -2.053 -6.723 1.00 99.99 C ATOM 1433 CE1 HIS D 37 2.641 -2.436 -6.265 1.00 99.99 C ATOM 1434 NE2 HIS D 37 3.538 -2.442 -7.241 1.00 99.99 N ATOM 0 H HIS D 37 7.431 -0.785 -2.899 1.00 99.99 H new ATOM 0 HA HIS D 37 7.278 -1.468 -5.594 1.00 99.99 H new ATOM 0 HB2 HIS D 37 5.772 -2.260 -3.727 1.00 99.99 H new ATOM 0 HB3 HIS D 37 5.044 -0.667 -3.679 1.00 99.99 H new ATOM 0 HD2 HIS D 37 5.673 -1.961 -7.263 1.00 99.99 H new ATOM 0 HE1 HIS D 37 1.598 -2.698 -6.369 1.00 99.99 H new ATOM 0 HE2 HIS D 37 3.360 -2.694 -8.213 1.00 99.99 H new ATOM 1442 N LEU D 38 6.687 1.655 -4.801 1.00 99.99 N ATOM 1443 CA LEU D 38 6.441 2.996 -5.318 1.00 99.99 C ATOM 1444 C LEU D 38 7.557 3.378 -6.279 1.00 99.99 C ATOM 1445 O LEU D 38 7.274 3.894 -7.330 1.00 99.99 O ATOM 1446 CB LEU D 38 6.431 4.069 -4.219 1.00 99.99 C ATOM 1447 CG LEU D 38 6.196 5.501 -4.758 1.00 99.99 C ATOM 1448 CD1 LEU D 38 4.858 5.617 -5.502 1.00 99.99 C ATOM 1449 CD2 LEU D 38 6.285 6.554 -3.653 1.00 99.99 C ATOM 0 H LEU D 38 6.992 1.639 -3.828 1.00 99.99 H new ATOM 0 HA LEU D 38 5.462 2.963 -5.797 1.00 99.99 H new ATOM 0 HB2 LEU D 38 5.652 3.829 -3.495 1.00 99.99 H new ATOM 0 HB3 LEU D 38 7.381 4.041 -3.686 1.00 99.99 H new ATOM 0 HG LEU D 38 6.999 5.696 -5.469 1.00 99.99 H new ATOM 0 HD11 LEU D 38 4.731 6.637 -5.865 1.00 99.99 H new ATOM 0 HD12 LEU D 38 4.850 4.928 -6.347 1.00 99.99 H new ATOM 0 HD13 LEU D 38 4.042 5.369 -4.824 1.00 99.99 H new ATOM 0 HD21 LEU D 38 6.114 7.543 -4.078 1.00 99.99 H new ATOM 0 HD22 LEU D 38 5.530 6.349 -2.894 1.00 99.99 H new ATOM 0 HD23 LEU D 38 7.275 6.521 -3.198 1.00 99.99 H new ATOM 1461 N ILE D 39 8.734 3.129 -5.904 1.00 99.99 N ATOM 1462 CA ILE D 39 9.901 3.466 -6.713 1.00 99.99 C ATOM 1463 C ILE D 39 9.854 2.676 -8.012 1.00 99.99 C ATOM 1464 O ILE D 39 10.106 3.239 -9.049 1.00 99.99 O ATOM 1465 CB ILE D 39 11.227 3.100 -6.032 1.00 99.99 C ATOM 1466 CG1 ILE D 39 11.442 3.993 -4.790 1.00 99.99 C ATOM 1467 CG2 ILE D 39 12.399 3.260 -7.023 1.00 99.99 C ATOM 1468 CD1 ILE D 39 12.650 3.585 -3.935 1.00 99.99 C ATOM 0 H ILE D 39 8.959 2.678 -5.017 1.00 99.99 H new ATOM 0 HA ILE D 39 9.865 4.544 -6.870 1.00 99.99 H new ATOM 0 HB ILE D 39 11.188 2.058 -5.713 1.00 99.99 H new ATOM 0 HG12 ILE D 39 11.571 5.026 -5.114 1.00 99.99 H new ATOM 0 HG13 ILE D 39 10.544 3.962 -4.172 1.00 99.99 H new ATOM 0 HG21 ILE D 39 13.333 2.997 -6.527 1.00 99.99 H new ATOM 0 HG22 ILE D 39 12.245 2.602 -7.878 1.00 99.99 H new ATOM 0 HG23 ILE D 39 12.448 4.294 -7.365 1.00 99.99 H new ATOM 0 HD11 ILE D 39 12.736 4.258 -3.082 1.00 99.99 H new ATOM 0 HD12 ILE D 39 12.516 2.564 -3.579 1.00 99.99 H new ATOM 0 HD13 ILE D 39 13.557 3.643 -4.536 1.00 99.99 H new ATOM 1480 N LEU D 40 9.558 1.455 -7.922 1.00 99.99 N ATOM 1481 CA LEU D 40 9.501 0.574 -9.082 1.00 99.99 C ATOM 1482 C LEU D 40 8.435 1.076 -10.044 1.00 99.99 C ATOM 1483 O LEU D 40 8.675 1.096 -11.225 1.00 99.99 O ATOM 1484 CB LEU D 40 9.116 -0.866 -8.723 1.00 99.99 C ATOM 1485 CG LEU D 40 10.189 -1.672 -7.957 1.00 99.99 C ATOM 1486 CD1 LEU D 40 9.621 -3.050 -7.566 1.00 99.99 C ATOM 1487 CD2 LEU D 40 11.478 -1.848 -8.770 1.00 99.99 C ATOM 0 H LEU D 40 9.338 0.993 -7.040 1.00 99.99 H new ATOM 0 HA LEU D 40 10.500 0.579 -9.517 1.00 99.99 H new ATOM 0 HB2 LEU D 40 8.207 -0.841 -8.121 1.00 99.99 H new ATOM 0 HB3 LEU D 40 8.875 -1.399 -9.643 1.00 99.99 H new ATOM 0 HG LEU D 40 10.447 -1.107 -7.062 1.00 99.99 H new ATOM 0 HD11 LEU D 40 10.380 -3.616 -7.026 1.00 99.99 H new ATOM 0 HD12 LEU D 40 8.747 -2.916 -6.929 1.00 99.99 H new ATOM 0 HD13 LEU D 40 9.334 -3.594 -8.466 1.00 99.99 H new ATOM 0 HD21 LEU D 40 12.200 -2.421 -8.188 1.00 99.99 H new ATOM 0 HD22 LEU D 40 11.255 -2.379 -9.695 1.00 99.99 H new ATOM 0 HD23 LEU D 40 11.896 -0.869 -9.005 1.00 99.99 H new ATOM 1499 N TRP D 41 7.341 1.444 -9.534 1.00 99.99 N ATOM 1500 CA TRP D 41 6.224 1.920 -10.339 1.00 99.99 C ATOM 1501 C TRP D 41 6.612 3.231 -11.008 1.00 99.99 C ATOM 1502 O TRP D 41 6.321 3.408 -12.165 1.00 99.99 O ATOM 1503 CB TRP D 41 4.968 2.212 -9.506 1.00 99.99 C ATOM 1504 CG TRP D 41 3.758 2.608 -10.332 1.00 99.99 C ATOM 1505 CD1 TRP D 41 2.943 1.782 -11.044 1.00 99.99 C ATOM 1506 CD2 TRP D 41 3.318 3.951 -10.600 1.00 99.99 C ATOM 1507 NE1 TRP D 41 1.971 2.505 -11.674 1.00 99.99 N ATOM 1508 CE2 TRP D 41 2.204 3.841 -11.452 1.00 99.99 C ATOM 1509 CE3 TRP D 41 3.790 5.194 -10.165 1.00 99.99 C ATOM 1510 CZ2 TRP D 41 1.523 4.972 -11.877 1.00 99.99 C ATOM 1511 CZ3 TRP D 41 3.108 6.329 -10.609 1.00 99.99 C ATOM 1512 CH2 TRP D 41 1.988 6.227 -11.452 1.00 99.99 C ATOM 0 H TRP D 41 7.156 1.437 -8.531 1.00 99.99 H new ATOM 0 HA TRP D 41 6.002 1.129 -11.055 1.00 99.99 H new ATOM 0 HB2 TRP D 41 4.720 1.328 -8.918 1.00 99.99 H new ATOM 0 HB3 TRP D 41 5.191 3.012 -8.800 1.00 99.99 H new ATOM 0 HD1 TRP D 41 3.050 0.709 -11.102 1.00 99.99 H new ATOM 0 HE1 TRP D 41 1.200 2.118 -12.219 1.00 99.99 H new ATOM 0 HE3 TRP D 41 4.647 5.273 -9.512 1.00 99.99 H new ATOM 0 HZ2 TRP D 41 0.658 4.890 -12.518 1.00 99.99 H new ATOM 0 HZ3 TRP D 41 3.448 7.306 -10.298 1.00 99.99 H new ATOM 0 HH2 TRP D 41 1.480 7.123 -11.776 1.00 99.99 H new ATOM 1523 N ILE D 42 7.217 4.073 -10.288 1.00 99.99 N ATOM 1524 CA ILE D 42 7.624 5.382 -10.792 1.00 99.99 C ATOM 1525 C ILE D 42 8.706 5.199 -11.845 1.00 99.99 C ATOM 1526 O ILE D 42 8.661 5.863 -12.851 1.00 99.99 O ATOM 1527 CB ILE D 42 8.225 6.279 -9.705 1.00 99.99 C ATOM 1528 CG1 ILE D 42 7.120 6.745 -8.728 1.00 99.99 C ATOM 1529 CG2 ILE D 42 8.936 7.499 -10.329 1.00 99.99 C ATOM 1530 CD1 ILE D 42 7.651 7.573 -7.548 1.00 99.99 C ATOM 0 H ILE D 42 7.465 3.907 -9.313 1.00 99.99 H new ATOM 0 HA ILE D 42 6.724 5.852 -11.187 1.00 99.99 H new ATOM 0 HB ILE D 42 8.965 5.699 -9.153 1.00 99.99 H new ATOM 0 HG12 ILE D 42 6.388 7.338 -9.277 1.00 99.99 H new ATOM 0 HG13 ILE D 42 6.597 5.871 -8.341 1.00 99.99 H new ATOM 0 HG21 ILE D 42 9.354 8.121 -9.537 1.00 99.99 H new ATOM 0 HG22 ILE D 42 9.738 7.157 -10.984 1.00 99.99 H new ATOM 0 HG23 ILE D 42 8.219 8.082 -10.907 1.00 99.99 H new ATOM 0 HD11 ILE D 42 6.820 7.865 -6.905 1.00 99.99 H new ATOM 0 HD12 ILE D 42 8.361 6.976 -6.975 1.00 99.99 H new ATOM 0 HD13 ILE D 42 8.149 8.466 -7.925 1.00 99.99 H new ATOM 1542 N LEU D 43 9.607 4.354 -11.591 1.00 99.99 N ATOM 1543 CA LEU D 43 10.718 4.099 -12.499 1.00 99.99 C ATOM 1544 C LEU D 43 10.179 3.547 -13.812 1.00 99.99 C ATOM 1545 O LEU D 43 10.715 3.862 -14.844 1.00 99.99 O ATOM 1546 CB LEU D 43 11.701 3.051 -11.961 1.00 99.99 C ATOM 1547 CG LEU D 43 12.531 3.522 -10.744 1.00 99.99 C ATOM 1548 CD1 LEU D 43 13.279 2.330 -10.117 1.00 99.99 C ATOM 1549 CD2 LEU D 43 13.528 4.629 -11.120 1.00 99.99 C ATOM 0 H LEU D 43 9.628 3.791 -10.741 1.00 99.99 H new ATOM 0 HA LEU D 43 11.237 5.050 -12.621 1.00 99.99 H new ATOM 0 HB2 LEU D 43 11.144 2.157 -11.682 1.00 99.99 H new ATOM 0 HB3 LEU D 43 12.383 2.764 -12.762 1.00 99.99 H new ATOM 0 HG LEU D 43 11.835 3.939 -10.016 1.00 99.99 H new ATOM 0 HD11 LEU D 43 13.860 2.674 -9.261 1.00 99.99 H new ATOM 0 HD12 LEU D 43 12.559 1.580 -9.789 1.00 99.99 H new ATOM 0 HD13 LEU D 43 13.948 1.891 -10.857 1.00 99.99 H new ATOM 0 HD21 LEU D 43 14.089 4.929 -10.235 1.00 99.99 H new ATOM 0 HD22 LEU D 43 14.217 4.256 -11.878 1.00 99.99 H new ATOM 0 HD23 LEU D 43 12.986 5.488 -11.515 1.00 99.99 H new ATOM 1561 N ASP D 44 9.189 2.769 -13.732 1.00 99.99 N ATOM 1562 CA ASP D 44 8.589 2.148 -14.905 1.00 99.99 C ATOM 1563 C ASP D 44 7.916 3.218 -15.754 1.00 99.99 C ATOM 1564 O ASP D 44 7.988 3.144 -16.955 1.00 99.99 O ATOM 1565 CB ASP D 44 7.498 1.128 -14.551 1.00 99.99 C ATOM 1566 CG ASP D 44 6.933 0.413 -15.794 1.00 99.99 C ATOM 1567 OD1 ASP D 44 7.691 -0.354 -16.435 1.00 99.99 O ATOM 1568 OD2 ASP D 44 5.716 0.580 -16.104 1.00 99.99 O ATOM 0 H ASP D 44 8.738 2.518 -12.852 1.00 99.99 H new ATOM 0 HA ASP D 44 9.399 1.640 -15.428 1.00 99.99 H new ATOM 0 HB2 ASP D 44 7.907 0.387 -13.864 1.00 99.99 H new ATOM 0 HB3 ASP D 44 6.687 1.635 -14.027 1.00 99.99 H new ATOM 1573 N ARG D 45 7.308 4.131 -15.133 1.00 99.99 N ATOM 1574 CA ARG D 45 6.600 5.206 -15.819 1.00 99.99 C ATOM 1575 C ARG D 45 7.599 6.067 -16.575 1.00 99.99 C ATOM 1576 O ARG D 45 7.338 6.417 -17.698 1.00 99.99 O ATOM 1577 CB ARG D 45 5.863 6.146 -14.855 1.00 99.99 C ATOM 1578 CG ARG D 45 4.714 5.466 -14.082 1.00 99.99 C ATOM 1579 CD ARG D 45 3.463 5.234 -14.941 1.00 99.99 C ATOM 1580 NE ARG D 45 3.533 3.847 -15.526 1.00 99.99 N ATOM 1581 CZ ARG D 45 2.837 3.519 -16.631 1.00 99.99 C ATOM 1582 NH1 ARG D 45 2.032 4.405 -17.245 1.00 99.99 N ATOM 1583 NH2 ARG D 45 2.936 2.264 -17.097 1.00 99.99 N ATOM 0 H ARG D 45 7.265 4.188 -14.116 1.00 99.99 H new ATOM 0 HA ARG D 45 5.876 4.723 -16.476 1.00 99.99 H new ATOM 0 HB2 ARG D 45 6.579 6.553 -14.141 1.00 99.99 H new ATOM 0 HB3 ARG D 45 5.461 6.988 -15.419 1.00 99.99 H new ATOM 0 HG2 ARG D 45 5.062 4.509 -13.693 1.00 99.99 H new ATOM 0 HG3 ARG D 45 4.448 6.082 -13.223 1.00 99.99 H new ATOM 0 HD2 ARG D 45 2.563 5.345 -14.336 1.00 99.99 H new ATOM 0 HD3 ARG D 45 3.406 5.978 -15.736 1.00 99.99 H new ATOM 0 HE ARG D 45 4.119 3.143 -15.076 1.00 99.99 H new ATOM 0 HH11 ARG D 45 1.938 5.351 -16.875 1.00 99.99 H new ATOM 0 HH12 ARG D 45 1.516 4.131 -18.081 1.00 99.99 H new ATOM 0 HH21 ARG D 45 3.527 1.586 -16.616 1.00 99.99 H new ATOM 0 HH22 ARG D 45 2.420 1.988 -17.932 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 10.311 6.482 -17.743 1.00 99.99 C ATOM 1600 O LEU D 46 10.980 5.462 -17.581 1.00 99.99 O ATOM 1601 CB LEU D 46 10.844 7.518 -15.593 1.00 99.99 C ATOM 1602 CG LEU D 46 10.490 8.255 -14.277 1.00 99.99 C ATOM 1603 CD1 LEU D 46 11.731 8.243 -13.364 1.00 99.99 C ATOM 1604 CD2 LEU D 46 10.010 9.694 -14.497 1.00 99.99 C ATOM 0 H LEU D 46 8.874 6.056 -15.017 1.00 99.99 H new ATOM 0 HA LEU D 46 9.203 8.140 -16.843 1.00 99.99 H new ATOM 0 HB2 LEU D 46 11.327 6.576 -15.333 1.00 99.99 H new ATOM 0 HB3 LEU D 46 11.581 8.118 -16.127 1.00 99.99 H new ATOM 0 HG LEU D 46 9.656 7.728 -13.814 1.00 99.99 H new ATOM 0 HD11 LEU D 46 11.501 8.758 -12.431 1.00 99.99 H new ATOM 0 HD12 LEU D 46 12.015 7.213 -13.149 1.00 99.99 H new ATOM 0 HD13 LEU D 46 12.556 8.750 -13.865 1.00 99.99 H new ATOM 0 HD21 LEU D 46 9.779 10.152 -13.535 1.00 99.99 H new ATOM 0 HD22 LEU D 46 10.793 10.267 -14.993 1.00 99.99 H new ATOM 0 HD23 LEU D 46 9.115 9.688 -15.120 1.00 99.99 H new TER 1616 LEU D 46 HETATM 1617 N1 308 C 1 -0.100 -0.016 2.519 1.00 0.00 N HETATM 1618 C10 308 C 1 -0.100 -0.016 3.988 1.00 0.00 C HETATM 1619 C7 308 C 1 -1.303 0.704 4.617 1.00 0.00 C HETATM 1620 C1 308 C 1 -1.156 0.700 6.093 1.00 0.00 C HETATM 1621 C8 308 C 1 -0.100 -1.448 4.515 1.00 0.00 C HETATM 1622 C5 308 C 1 0.050 -1.433 5.940 1.00 0.00 C HETATM 1623 C6 308 C 1 -1.108 -0.714 6.536 1.00 0.00 C HETATM 1624 C4 308 C 1 1.273 -0.661 6.383 1.00 0.00 C HETATM 1625 C9 308 C 1 1.131 0.798 4.458 1.00 0.00 C HETATM 1626 C3 308 C 1 1.233 0.693 5.903 1.00 0.00 C HETATM 1627 C2 308 C 1 0.080 1.375 6.568 1.00 0.00 C HETATM 0 HN1A 308 C 1 0.658 -0.470 2.009 1.00 0.00 H new HETATM 0 HN1 308 C 1 -0.858 0.438 2.009 1.00 0.00 H new HETATM 0 H9A 308 C 1 2.038 0.419 3.986 1.00 0.00 H new HETATM 0 H9 308 C 1 1.030 1.842 4.161 1.00 0.00 H new HETATM 0 H8A 308 C 1 -1.030 -1.947 4.242 1.00 0.00 H new HETATM 0 H8 308 C 1 0.712 -2.015 4.059 1.00 0.00 H new HETATM 0 H7A 308 C 1 -1.363 1.728 4.248 1.00 0.00 H new HETATM 0 H7 308 C 1 -2.230 0.207 4.330 1.00 0.00 H new HETATM 0 H6A 308 C 1 -1.042 -0.754 7.623 1.00 0.00 H new HETATM 0 H6 308 C 1 -2.034 -1.216 6.254 1.00 0.00 H new HETATM 0 H5 308 C 1 0.129 -2.473 6.258 1.00 0.00 H new HETATM 0 H4A 308 C 1 1.333 -0.662 7.471 1.00 0.00 H new HETATM 0 H4 308 C 1 2.172 -1.155 6.013 1.00 0.00 H new HETATM 0 H3 308 C 1 2.178 1.174 6.154 1.00 0.00 H new HETATM 0 H2A 308 C 1 0.062 2.435 6.316 1.00 0.00 H new HETATM 0 H2 308 C 1 0.165 1.306 7.653 1.00 0.00 H new HETATM 0 H1 308 C 1 -2.001 1.249 6.509 1.00 0.00 H new