USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 844 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 68:sc= 0.382 USER MOD Single : A 37 HIS : no HD1:sc= -0.522 X(o=-0.52,f=-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 67:sc= 0.387 USER MOD Single : B 37 HIS : no HD1:sc= -0.508 X(o=-0.51,f=-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 66:sc= 0.387 USER MOD Single : C 37 HIS : no HD1:sc= -0.485 X(o=-0.48,f=-0.98) 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 67:sc= 0.386 USER MOD Single : D 37 HIS : no HD1:sc= -0.516 X(o=-0.52,f=-0.98) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 22 0.601 10.411 18.985 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 1.454 7.870 18.470 1.00 99.99 O ATOM 5 CB SER A 22 2.514 11.011 17.455 1.00 99.99 C ATOM 6 OG SER A 22 3.542 10.781 18.416 1.00 99.99 O ATOM 0 HA SER A 22 0.528 10.357 16.898 1.00 99.99 H new ATOM 0 HB2 SER A 22 2.911 10.827 16.457 1.00 99.99 H new ATOM 0 HB3 SER A 22 2.218 12.059 17.493 1.00 99.99 H new ATOM 0 HG SER A 22 4.304 11.367 18.226 1.00 99.99 H new ATOM 11 N SER A 23 2.062 8.271 16.321 1.00 99.99 N ATOM 12 CA SER A 23 2.538 6.941 16.026 1.00 99.99 C ATOM 13 C SER A 23 3.962 7.112 15.561 1.00 99.99 C ATOM 14 O SER A 23 4.555 8.175 15.744 1.00 99.99 O ATOM 15 CB SER A 23 1.684 6.224 14.952 1.00 99.99 C ATOM 16 OG SER A 23 0.354 6.045 15.421 1.00 99.99 O ATOM 0 H SER A 23 2.111 8.903 15.522 1.00 99.99 H new ATOM 0 HA SER A 23 2.468 6.307 16.910 1.00 99.99 H new ATOM 0 HB2 SER A 23 1.677 6.809 14.032 1.00 99.99 H new ATOM 0 HB3 SER A 23 2.126 5.257 14.712 1.00 99.99 H new ATOM 0 HG SER A 23 -0.177 5.592 14.733 1.00 99.99 H new ATOM 22 N ASP A 24 4.562 6.046 14.971 1.00 99.99 N ATOM 23 CA ASP A 24 5.966 6.008 14.604 1.00 99.99 C ATOM 24 C ASP A 24 6.115 6.572 13.208 1.00 99.99 C ATOM 25 O ASP A 24 5.173 6.451 12.432 1.00 99.99 O ATOM 26 CB ASP A 24 6.534 4.561 14.610 1.00 99.99 C ATOM 27 CG ASP A 24 6.470 3.937 16.008 1.00 99.99 C ATOM 28 OD1 ASP A 24 6.385 4.692 17.015 1.00 99.99 O ATOM 29 OD2 ASP A 24 6.517 2.680 16.084 1.00 99.99 O ATOM 0 H ASP A 24 4.061 5.187 14.742 1.00 99.99 H new ATOM 0 HA ASP A 24 6.520 6.594 15.337 1.00 99.99 H new ATOM 0 HB2 ASP A 24 5.970 3.945 13.910 1.00 99.99 H new ATOM 0 HB3 ASP A 24 7.567 4.573 14.263 1.00 99.99 H new ATOM 34 N PRO A 25 7.222 7.208 12.818 1.00 99.99 N ATOM 35 CA PRO A 25 7.267 8.056 11.636 1.00 99.99 C ATOM 36 C PRO A 25 7.285 7.268 10.346 1.00 99.99 C ATOM 37 O PRO A 25 6.871 7.830 9.344 1.00 99.99 O ATOM 38 CB PRO A 25 8.558 8.877 11.794 1.00 99.99 C ATOM 39 CG PRO A 25 9.434 8.031 12.721 1.00 99.99 C ATOM 40 CD PRO A 25 8.408 7.391 13.653 1.00 99.99 C ATOM 0 HA PRO A 25 6.374 8.677 11.569 1.00 99.99 H new ATOM 0 HB2 PRO A 25 9.043 9.045 10.832 1.00 99.99 H new ATOM 0 HB3 PRO A 25 8.355 9.858 12.224 1.00 99.99 H new ATOM 0 HG2 PRO A 25 10.004 7.283 12.170 1.00 99.99 H new ATOM 0 HG3 PRO A 25 10.154 8.641 13.267 1.00 99.99 H new ATOM 0 HD2 PRO A 25 8.767 6.440 14.046 1.00 99.99 H new ATOM 0 HD3 PRO A 25 8.196 8.031 14.510 1.00 99.99 H new ATOM 48 N LEU A 26 7.762 6.002 10.351 1.00 99.99 N ATOM 49 CA LEU A 26 7.754 5.044 9.253 1.00 99.99 C ATOM 50 C LEU A 26 6.326 4.593 8.987 1.00 99.99 C ATOM 51 O LEU A 26 5.939 4.514 7.849 1.00 99.99 O ATOM 52 CB LEU A 26 8.559 3.774 9.561 1.00 99.99 C ATOM 53 CG LEU A 26 8.424 2.615 8.547 1.00 99.99 C ATOM 54 CD1 LEU A 26 8.968 2.974 7.162 1.00 99.99 C ATOM 55 CD2 LEU A 26 9.111 1.353 9.088 1.00 99.99 C ATOM 0 H LEU A 26 8.190 5.608 11.189 1.00 99.99 H new ATOM 0 HA LEU A 26 8.201 5.555 8.400 1.00 99.99 H new ATOM 0 HB2 LEU A 26 9.612 4.045 9.632 1.00 99.99 H new ATOM 0 HB3 LEU A 26 8.257 3.407 10.542 1.00 99.99 H new ATOM 0 HG LEU A 26 7.359 2.421 8.423 1.00 99.99 H new ATOM 0 HD11 LEU A 26 8.847 2.123 6.492 1.00 99.99 H new ATOM 0 HD12 LEU A 26 8.420 3.829 6.766 1.00 99.99 H new ATOM 0 HD13 LEU A 26 10.025 3.226 7.241 1.00 99.99 H new ATOM 0 HD21 LEU A 26 9.009 0.544 8.364 1.00 99.99 H new ATOM 0 HD22 LEU A 26 10.168 1.558 9.256 1.00 99.99 H new ATOM 0 HD23 LEU A 26 8.644 1.060 10.028 1.00 99.99 H new ATOM 67 N VAL A 27 5.625 4.317 10.001 1.00 99.99 N ATOM 68 CA VAL A 27 4.247 3.850 9.893 1.00 99.99 C ATOM 69 C VAL A 27 3.369 4.982 9.381 1.00 99.99 C ATOM 70 O VAL A 27 2.579 4.757 8.499 1.00 99.99 O ATOM 71 CB VAL A 27 3.656 3.419 11.242 1.00 99.99 C ATOM 72 CG1 VAL A 27 2.167 3.050 11.093 1.00 99.99 C ATOM 73 CG2 VAL A 27 4.435 2.198 11.780 1.00 99.99 C ATOM 0 H VAL A 27 5.963 4.398 10.960 1.00 99.99 H new ATOM 0 HA VAL A 27 4.266 2.994 9.219 1.00 99.99 H new ATOM 0 HB VAL A 27 3.741 4.252 11.940 1.00 99.99 H new ATOM 0 HG11 VAL A 27 1.768 2.747 12.061 1.00 99.99 H new ATOM 0 HG12 VAL A 27 1.613 3.914 10.726 1.00 99.99 H new ATOM 0 HG13 VAL A 27 2.065 2.227 10.386 1.00 99.99 H new ATOM 0 HG21 VAL A 27 4.015 1.892 12.738 1.00 99.99 H new ATOM 0 HG22 VAL A 27 4.357 1.375 11.070 1.00 99.99 H new ATOM 0 HG23 VAL A 27 5.484 2.465 11.912 1.00 99.99 H new ATOM 83 N VAL A 28 3.522 6.108 9.930 1.00 99.99 N ATOM 84 CA VAL A 28 2.730 7.274 9.558 1.00 99.99 C ATOM 85 C VAL A 28 3.136 7.733 8.166 1.00 99.99 C ATOM 86 O VAL A 28 2.277 8.031 7.374 1.00 99.99 O ATOM 87 CB VAL A 28 2.952 8.470 10.492 1.00 99.99 C ATOM 88 CG1 VAL A 28 2.237 9.732 9.966 1.00 99.99 C ATOM 89 CG2 VAL A 28 2.447 8.125 11.907 1.00 99.99 C ATOM 0 H VAL A 28 4.203 6.287 10.668 1.00 99.99 H new ATOM 0 HA VAL A 28 1.686 6.966 9.614 1.00 99.99 H new ATOM 0 HB VAL A 28 4.021 8.682 10.529 1.00 99.99 H new ATOM 0 HG11 VAL A 28 2.414 10.562 10.650 1.00 99.99 H new ATOM 0 HG12 VAL A 28 2.625 9.986 8.980 1.00 99.99 H new ATOM 0 HG13 VAL A 28 1.166 9.541 9.896 1.00 99.99 H new ATOM 0 HG21 VAL A 28 2.606 8.977 12.568 1.00 99.99 H new ATOM 0 HG22 VAL A 28 1.383 7.891 11.867 1.00 99.99 H new ATOM 0 HG23 VAL A 28 2.994 7.263 12.288 1.00 99.99 H new ATOM 99 N ALA A 29 4.373 7.782 7.926 1.00 99.99 N ATOM 100 CA ALA A 29 4.904 8.230 6.642 1.00 99.99 C ATOM 101 C ALA A 29 4.409 7.301 5.543 1.00 99.99 C ATOM 102 O ALA A 29 4.047 7.778 4.496 1.00 99.99 O ATOM 103 CB ALA A 29 6.436 8.192 6.584 1.00 99.99 C ATOM 0 H ALA A 29 5.089 7.516 8.602 1.00 99.99 H new ATOM 0 HA ALA A 29 4.566 9.258 6.512 1.00 99.99 H new ATOM 0 HB1 ALA A 29 6.772 8.536 5.606 1.00 99.99 H new ATOM 0 HB2 ALA A 29 6.846 8.842 7.357 1.00 99.99 H new ATOM 0 HB3 ALA A 29 6.781 7.171 6.748 1.00 99.99 H new ATOM 109 N ALA A 30 4.417 6.066 5.800 1.00 99.99 N ATOM 110 CA ALA A 30 3.994 5.065 4.829 1.00 99.99 C ATOM 111 C ALA A 30 2.520 5.259 4.511 1.00 99.99 C ATOM 112 O ALA A 30 2.134 5.064 3.385 1.00 99.99 O ATOM 113 CB ALA A 30 4.136 3.629 5.353 1.00 99.99 C ATOM 0 H ALA A 30 4.716 5.678 6.695 1.00 99.99 H new ATOM 0 HA ALA A 30 4.635 5.197 3.957 1.00 99.99 H new ATOM 0 HB1 ALA A 30 3.806 2.928 4.587 1.00 99.99 H new ATOM 0 HB2 ALA A 30 5.180 3.433 5.599 1.00 99.99 H new ATOM 0 HB3 ALA A 30 3.523 3.505 6.246 1.00 99.99 H new ATOM 119 N SER A 31 1.781 5.620 5.466 1.00 99.99 N ATOM 120 CA SER A 31 0.344 5.820 5.310 1.00 99.99 C ATOM 121 C SER A 31 0.099 6.916 4.283 1.00 99.99 C ATOM 122 O SER A 31 -0.732 6.743 3.427 1.00 99.99 O ATOM 123 CB SER A 31 -0.341 6.275 6.604 1.00 99.99 C ATOM 124 OG SER A 31 -0.281 5.253 7.596 1.00 99.99 O ATOM 0 H SER A 31 2.125 5.798 6.409 1.00 99.99 H new ATOM 0 HA SER A 31 -0.068 4.857 5.008 1.00 99.99 H new ATOM 0 HB2 SER A 31 0.141 7.179 6.977 1.00 99.99 H new ATOM 0 HB3 SER A 31 -1.381 6.529 6.400 1.00 99.99 H new ATOM 0 HG SER A 31 0.647 5.136 7.889 1.00 99.99 H new ATOM 130 N ILE A 32 0.791 7.965 4.402 1.00 99.99 N ATOM 131 CA ILE A 32 0.641 9.104 3.505 1.00 99.99 C ATOM 132 C ILE A 32 1.049 8.698 2.097 1.00 99.99 C ATOM 133 O ILE A 32 0.428 9.125 1.160 1.00 99.99 O ATOM 134 CB ILE A 32 1.536 10.290 3.891 1.00 99.99 C ATOM 135 CG1 ILE A 32 1.099 10.867 5.255 1.00 99.99 C ATOM 136 CG2 ILE A 32 1.487 11.391 2.811 1.00 99.99 C ATOM 137 CD1 ILE A 32 2.143 11.805 5.873 1.00 99.99 C ATOM 0 H ILE A 32 1.499 8.095 5.125 1.00 99.99 H new ATOM 0 HA ILE A 32 -0.404 9.406 3.569 1.00 99.99 H new ATOM 0 HB ILE A 32 2.562 9.930 3.969 1.00 99.99 H new ATOM 0 HG12 ILE A 32 0.161 11.408 5.130 1.00 99.99 H new ATOM 0 HG13 ILE A 32 0.904 10.046 5.945 1.00 99.99 H new ATOM 0 HG21 ILE A 32 2.129 12.220 3.108 1.00 99.99 H new ATOM 0 HG22 ILE A 32 1.834 10.985 1.861 1.00 99.99 H new ATOM 0 HG23 ILE A 32 0.463 11.747 2.700 1.00 99.99 H new ATOM 0 HD11 ILE A 32 1.777 12.177 6.830 1.00 99.99 H new ATOM 0 HD12 ILE A 32 3.075 11.261 6.028 1.00 99.99 H new ATOM 0 HD13 ILE A 32 2.321 12.645 5.201 1.00 99.99 H new ATOM 149 N ILE A 33 2.041 7.923 2.002 1.00 99.99 N ATOM 150 CA ILE A 33 2.560 7.473 0.715 1.00 99.99 C ATOM 151 C ILE A 33 1.478 6.694 -0.020 1.00 99.99 C ATOM 152 O ILE A 33 1.277 6.928 -1.184 1.00 99.99 O ATOM 153 CB ILE A 33 3.757 6.522 0.851 1.00 99.99 C ATOM 154 CG1 ILE A 33 5.038 7.369 1.054 1.00 99.99 C ATOM 155 CG2 ILE A 33 3.901 5.590 -0.365 1.00 99.99 C ATOM 156 CD1 ILE A 33 6.248 6.586 1.577 1.00 99.99 C ATOM 0 H ILE A 33 2.549 7.556 2.807 1.00 99.99 H new ATOM 0 HA ILE A 33 2.873 8.371 0.182 1.00 99.99 H new ATOM 0 HB ILE A 33 3.595 5.875 1.713 1.00 99.99 H new ATOM 0 HG12 ILE A 33 5.305 7.832 0.104 1.00 99.99 H new ATOM 0 HG13 ILE A 33 4.816 8.177 1.751 1.00 99.99 H new ATOM 0 HG21 ILE A 33 4.761 4.936 -0.222 1.00 99.99 H new ATOM 0 HG22 ILE A 33 3.000 4.986 -0.469 1.00 99.99 H new ATOM 0 HG23 ILE A 33 4.044 6.187 -1.266 1.00 99.99 H new ATOM 0 HD11 ILE A 33 7.097 7.260 1.688 1.00 99.99 H new ATOM 0 HD12 ILE A 33 6.006 6.145 2.544 1.00 99.99 H new ATOM 0 HD13 ILE A 33 6.502 5.795 0.871 1.00 99.99 H new ATOM 168 N GLY A 34 0.847 5.834 0.654 1.00 99.99 N ATOM 169 CA GLY A 34 -0.200 5.000 0.070 1.00 99.99 C ATOM 170 C GLY A 34 -1.367 5.878 -0.351 1.00 99.99 C ATOM 171 O GLY A 34 -1.964 5.611 -1.363 1.00 99.99 O ATOM 0 H GLY A 34 1.017 5.657 1.644 1.00 99.99 H new ATOM 0 HA2 GLY A 34 0.190 4.457 -0.791 1.00 99.99 H new ATOM 0 HA3 GLY A 34 -0.533 4.255 0.793 1.00 99.99 H new ATOM 175 N ILE A 35 -1.333 7.145 0.029 1.00 99.99 N ATOM 176 CA ILE A 35 -2.379 8.020 -0.495 1.00 99.99 C ATOM 177 C ILE A 35 -1.862 8.741 -1.730 1.00 99.99 C ATOM 178 O ILE A 35 -2.563 8.800 -2.708 1.00 99.99 O ATOM 179 CB ILE A 35 -2.799 9.110 0.499 1.00 99.99 C ATOM 180 CG1 ILE A 35 -3.332 8.471 1.806 1.00 99.99 C ATOM 181 CG2 ILE A 35 -3.876 10.013 -0.139 1.00 99.99 C ATOM 182 CD1 ILE A 35 -3.487 9.442 2.981 1.00 99.99 C ATOM 0 H ILE A 35 -0.648 7.572 0.652 1.00 99.99 H new ATOM 0 HA ILE A 35 -3.235 7.379 -0.708 1.00 99.99 H new ATOM 0 HB ILE A 35 -1.929 9.719 0.746 1.00 99.99 H new ATOM 0 HG12 ILE A 35 -4.300 8.013 1.601 1.00 99.99 H new ATOM 0 HG13 ILE A 35 -2.657 7.669 2.103 1.00 99.99 H new ATOM 0 HG21 ILE A 35 -4.171 10.785 0.571 1.00 99.99 H new ATOM 0 HG22 ILE A 35 -3.473 10.481 -1.037 1.00 99.99 H new ATOM 0 HG23 ILE A 35 -4.746 9.411 -0.402 1.00 99.99 H new ATOM 0 HD11 ILE A 35 -3.865 8.904 3.850 1.00 99.99 H new ATOM 0 HD12 ILE A 35 -2.519 9.882 3.220 1.00 99.99 H new ATOM 0 HD13 ILE A 35 -4.188 10.232 2.710 1.00 99.99 H new ATOM 194 N LEU A 36 -0.708 9.243 -1.648 1.00 99.99 N ATOM 195 CA LEU A 36 -0.100 9.986 -2.747 1.00 99.99 C ATOM 196 C LEU A 36 0.014 9.079 -3.963 1.00 99.99 C ATOM 197 O LEU A 36 -0.275 9.515 -5.048 1.00 99.99 O ATOM 198 CB LEU A 36 1.322 10.465 -2.429 1.00 99.99 C ATOM 199 CG LEU A 36 2.071 11.142 -3.596 1.00 99.99 C ATOM 200 CD1 LEU A 36 1.363 12.431 -4.036 1.00 99.99 C ATOM 201 CD2 LEU A 36 3.533 11.422 -3.224 1.00 99.99 C ATOM 0 H LEU A 36 -0.118 9.170 -0.819 1.00 99.99 H new ATOM 0 HA LEU A 36 -0.739 10.851 -2.923 1.00 99.99 H new ATOM 0 HB2 LEU A 36 1.273 11.166 -1.596 1.00 99.99 H new ATOM 0 HB3 LEU A 36 1.908 9.610 -2.091 1.00 99.99 H new ATOM 0 HG LEU A 36 2.064 10.451 -4.439 1.00 99.99 H new ATOM 0 HD11 LEU A 36 1.914 12.886 -4.859 1.00 99.99 H new ATOM 0 HD12 LEU A 36 0.350 12.196 -4.363 1.00 99.99 H new ATOM 0 HD13 LEU A 36 1.322 13.128 -3.199 1.00 99.99 H new ATOM 0 HD21 LEU A 36 4.037 11.899 -4.064 1.00 99.99 H new ATOM 0 HD22 LEU A 36 3.568 12.082 -2.357 1.00 99.99 H new ATOM 0 HD23 LEU A 36 4.034 10.484 -2.986 1.00 99.99 H new ATOM 213 N HIS A 37 0.458 7.814 -3.783 1.00 99.99 N ATOM 214 CA HIS A 37 0.668 6.854 -4.839 1.00 99.99 C ATOM 215 C HIS A 37 -0.633 6.555 -5.534 1.00 99.99 C ATOM 216 O HIS A 37 -0.650 6.211 -6.714 1.00 99.99 O ATOM 217 CB HIS A 37 1.261 5.533 -4.292 1.00 99.99 C ATOM 218 CG HIS A 37 1.683 4.555 -5.358 1.00 99.99 C ATOM 219 ND1 HIS A 37 1.914 3.233 -5.093 1.00 99.99 N ATOM 220 CD2 HIS A 37 1.957 4.751 -6.670 1.00 99.99 C ATOM 221 CE1 HIS A 37 2.306 2.643 -6.214 1.00 99.99 C ATOM 222 NE2 HIS A 37 2.340 3.544 -7.187 1.00 99.99 N ATOM 0 H HIS A 37 0.681 7.442 -2.860 1.00 99.99 H new ATOM 0 HA HIS A 37 1.376 7.291 -5.543 1.00 99.99 H new ATOM 0 HB2 HIS A 37 2.123 5.766 -3.668 1.00 99.99 H new ATOM 0 HB3 HIS A 37 0.522 5.055 -3.649 1.00 99.99 H new ATOM 0 HD2 HIS A 37 1.886 5.685 -7.207 1.00 99.99 H new ATOM 0 HE1 HIS A 37 2.557 1.598 -6.318 1.00 99.99 H new ATOM 0 HE2 HIS A 37 2.606 3.367 -8.156 1.00 99.99 H new ATOM 230 N LEU A 38 -1.762 6.725 -4.805 1.00 99.99 N ATOM 231 CA LEU A 38 -3.099 6.494 -5.338 1.00 99.99 C ATOM 232 C LEU A 38 -3.455 7.612 -6.307 1.00 99.99 C ATOM 233 O LEU A 38 -3.972 7.334 -7.359 1.00 99.99 O ATOM 234 CB LEU A 38 -4.185 6.498 -4.254 1.00 99.99 C ATOM 235 CG LEU A 38 -5.613 6.278 -4.811 1.00 99.99 C ATOM 236 CD1 LEU A 38 -5.735 4.941 -5.554 1.00 99.99 C ATOM 237 CD2 LEU A 38 -6.679 6.381 -3.720 1.00 99.99 C ATOM 0 H LEU A 38 -1.756 7.027 -3.831 1.00 99.99 H new ATOM 0 HA LEU A 38 -3.072 5.514 -5.814 1.00 99.99 H new ATOM 0 HB2 LEU A 38 -3.963 5.718 -3.526 1.00 99.99 H new ATOM 0 HB3 LEU A 38 -4.153 7.449 -3.722 1.00 99.99 H new ATOM 0 HG LEU A 38 -5.790 7.081 -5.526 1.00 99.99 H new ATOM 0 HD11 LEU A 38 -6.752 4.825 -5.929 1.00 99.99 H new ATOM 0 HD12 LEU A 38 -5.036 4.924 -6.390 1.00 99.99 H new ATOM 0 HD13 LEU A 38 -5.504 4.123 -4.871 1.00 99.99 H new ATOM 0 HD21 LEU A 38 -7.664 6.220 -4.158 1.00 99.99 H new ATOM 0 HD22 LEU A 38 -6.493 5.625 -2.957 1.00 99.99 H new ATOM 0 HD23 LEU A 38 -6.641 7.371 -3.267 1.00 99.99 H new ATOM 249 N ILE A 39 -3.185 8.786 -5.936 1.00 99.99 N ATOM 250 CA ILE A 39 -3.496 9.955 -6.751 1.00 99.99 C ATOM 251 C ILE A 39 -2.685 9.899 -8.037 1.00 99.99 C ATOM 252 O ILE A 39 -3.225 10.166 -9.082 1.00 99.99 O ATOM 253 CB ILE A 39 -3.129 11.278 -6.065 1.00 99.99 C ATOM 254 CG1 ILE A 39 -4.041 11.504 -4.839 1.00 99.99 C ATOM 255 CG2 ILE A 39 -3.260 12.450 -7.060 1.00 99.99 C ATOM 256 CD1 ILE A 39 -3.635 12.708 -3.979 1.00 99.99 C ATOM 0 H ILE A 39 -2.734 9.007 -5.048 1.00 99.99 H new ATOM 0 HA ILE A 39 -4.572 9.929 -6.926 1.00 99.99 H new ATOM 0 HB ILE A 39 -2.094 11.228 -5.728 1.00 99.99 H new ATOM 0 HG12 ILE A 39 -5.066 11.643 -5.181 1.00 99.99 H new ATOM 0 HG13 ILE A 39 -4.031 10.607 -4.220 1.00 99.99 H new ATOM 0 HG21 ILE A 39 -2.997 13.382 -6.561 1.00 99.99 H new ATOM 0 HG22 ILE A 39 -2.589 12.288 -7.903 1.00 99.99 H new ATOM 0 HG23 ILE A 39 -4.287 12.509 -7.420 1.00 99.99 H new ATOM 0 HD11 ILE A 39 -4.322 12.802 -3.138 1.00 99.99 H new ATOM 0 HD12 ILE A 39 -2.621 12.563 -3.606 1.00 99.99 H new ATOM 0 HD13 ILE A 39 -3.673 13.615 -4.582 1.00 99.99 H new ATOM 268 N LEU A 40 -1.472 9.579 -7.927 1.00 99.99 N ATOM 269 CA LEU A 40 -0.572 9.511 -9.072 1.00 99.99 C ATOM 270 C LEU A 40 -1.070 8.450 -10.042 1.00 99.99 C ATOM 271 O LEU A 40 -1.086 8.697 -11.222 1.00 99.99 O ATOM 272 CB LEU A 40 0.857 9.108 -8.688 1.00 99.99 C ATOM 273 CG LEU A 40 1.663 10.171 -7.909 1.00 99.99 C ATOM 274 CD1 LEU A 40 3.027 9.586 -7.494 1.00 99.99 C ATOM 275 CD2 LEU A 40 1.869 11.457 -8.719 1.00 99.99 C ATOM 0 H LEU A 40 -1.030 9.345 -7.038 1.00 99.99 H new ATOM 0 HA LEU A 40 -0.558 10.510 -9.507 1.00 99.99 H new ATOM 0 HB2 LEU A 40 0.810 8.200 -8.086 1.00 99.99 H new ATOM 0 HB3 LEU A 40 1.402 8.859 -9.598 1.00 99.99 H new ATOM 0 HG LEU A 40 1.086 10.437 -7.024 1.00 99.99 H new ATOM 0 HD11 LEU A 40 3.593 10.338 -6.945 1.00 99.99 H new ATOM 0 HD12 LEU A 40 2.871 8.714 -6.859 1.00 99.99 H new ATOM 0 HD13 LEU A 40 3.583 9.292 -8.384 1.00 99.99 H new ATOM 0 HD21 LEU A 40 2.441 12.172 -8.127 1.00 99.99 H new ATOM 0 HD22 LEU A 40 2.413 11.227 -9.635 1.00 99.99 H new ATOM 0 HD23 LEU A 40 0.900 11.887 -8.971 1.00 99.99 H new ATOM 287 N TRP A 41 -1.441 7.354 -9.539 1.00 99.99 N ATOM 288 CA TRP A 41 -1.915 6.241 -10.353 1.00 99.99 C ATOM 289 C TRP A 41 -3.244 6.617 -10.990 1.00 99.99 C ATOM 290 O TRP A 41 -3.441 6.337 -12.146 1.00 99.99 O ATOM 291 CB TRP A 41 -2.169 4.968 -9.534 1.00 99.99 C ATOM 292 CG TRP A 41 -2.562 3.764 -10.371 1.00 99.99 C ATOM 293 CD1 TRP A 41 -1.737 2.974 -11.111 1.00 99.99 C ATOM 294 CD2 TRP A 41 -3.902 3.306 -10.619 1.00 99.99 C ATOM 295 NE1 TRP A 41 -2.456 2.000 -11.743 1.00 99.99 N ATOM 296 CE2 TRP A 41 -3.791 2.207 -11.491 1.00 99.99 C ATOM 297 CE3 TRP A 41 -5.144 3.750 -10.154 1.00 99.99 C ATOM 298 CZ2 TRP A 41 -4.919 1.514 -11.905 1.00 99.99 C ATOM 299 CZ3 TRP A 41 -6.277 3.057 -10.586 1.00 99.99 C ATOM 300 CH2 TRP A 41 -6.173 1.952 -11.448 1.00 99.99 C ATOM 0 H TRP A 41 -1.438 7.164 -8.537 1.00 99.99 H new ATOM 0 HA TRP A 41 -1.135 6.043 -11.088 1.00 99.99 H new ATOM 0 HB2 TRP A 41 -1.269 4.726 -8.968 1.00 99.99 H new ATOM 0 HB3 TRP A 41 -2.958 5.166 -8.808 1.00 99.99 H new ATOM 0 HD1 TRP A 41 -0.667 3.099 -11.187 1.00 99.99 H new ATOM 0 HE1 TRP A 41 -2.067 1.245 -12.308 1.00 99.99 H new ATOM 0 HE3 TRP A 41 -5.224 4.596 -9.487 1.00 99.99 H new ATOM 0 HZ2 TRP A 41 -4.835 0.660 -12.561 1.00 99.99 H new ATOM 0 HZ3 TRP A 41 -7.253 3.377 -10.251 1.00 99.99 H new ATOM 0 HH2 TRP A 41 -7.067 1.434 -11.763 1.00 99.99 H new ATOM 311 N ILE A 42 -4.080 7.202 -10.246 1.00 99.99 N ATOM 312 CA ILE A 42 -5.404 7.595 -10.718 1.00 99.99 C ATOM 313 C ILE A 42 -5.259 8.682 -11.773 1.00 99.99 C ATOM 314 O ILE A 42 -5.942 8.629 -12.765 1.00 99.99 O ATOM 315 CB ILE A 42 -6.282 8.185 -9.609 1.00 99.99 C ATOM 316 CG1 ILE A 42 -6.713 7.073 -8.624 1.00 99.99 C ATOM 317 CG2 ILE A 42 -7.525 8.883 -10.203 1.00 99.99 C ATOM 318 CD1 ILE A 42 -7.519 7.592 -7.423 1.00 99.99 C ATOM 0 H ILE A 42 -3.897 7.442 -9.272 1.00 99.99 H new ATOM 0 HA ILE A 42 -5.873 6.690 -11.104 1.00 99.99 H new ATOM 0 HB ILE A 42 -5.698 8.931 -9.070 1.00 99.99 H new ATOM 0 HG12 ILE A 42 -7.311 6.336 -9.160 1.00 99.99 H new ATOM 0 HG13 ILE A 42 -5.824 6.558 -8.259 1.00 99.99 H new ATOM 0 HG21 ILE A 42 -8.132 9.293 -9.396 1.00 99.99 H new ATOM 0 HG22 ILE A 42 -7.208 9.689 -10.865 1.00 99.99 H new ATOM 0 HG23 ILE A 42 -8.113 8.160 -10.768 1.00 99.99 H new ATOM 0 HD11 ILE A 42 -7.786 6.757 -6.776 1.00 99.99 H new ATOM 0 HD12 ILE A 42 -6.917 8.307 -6.862 1.00 99.99 H new ATOM 0 HD13 ILE A 42 -8.426 8.081 -7.778 1.00 99.99 H new ATOM 330 N LEU A 43 -4.421 9.594 -11.534 1.00 99.99 N ATOM 331 CA LEU A 43 -4.200 10.709 -12.446 1.00 99.99 C ATOM 332 C LEU A 43 -3.629 10.184 -13.755 1.00 99.99 C ATOM 333 O LEU A 43 -3.953 10.713 -14.789 1.00 99.99 O ATOM 334 CB LEU A 43 -3.185 11.727 -11.909 1.00 99.99 C ATOM 335 CG LEU A 43 -3.684 12.545 -10.695 1.00 99.99 C ATOM 336 CD1 LEU A 43 -2.518 13.332 -10.068 1.00 99.99 C ATOM 337 CD2 LEU A 43 -4.822 13.505 -11.075 1.00 99.99 C ATOM 0 H LEU A 43 -3.841 9.621 -10.695 1.00 99.99 H new ATOM 0 HA LEU A 43 -5.167 11.197 -12.572 1.00 99.99 H new ATOM 0 HB2 LEU A 43 -2.274 11.200 -11.627 1.00 99.99 H new ATOM 0 HB3 LEU A 43 -2.919 12.415 -12.711 1.00 99.99 H new ATOM 0 HG LEU A 43 -4.079 11.837 -9.966 1.00 99.99 H new ATOM 0 HD11 LEU A 43 -2.882 13.904 -9.214 1.00 99.99 H new ATOM 0 HD12 LEU A 43 -1.746 12.637 -9.737 1.00 99.99 H new ATOM 0 HD13 LEU A 43 -2.099 14.013 -10.809 1.00 99.99 H new ATOM 0 HD21 LEU A 43 -5.141 14.059 -10.192 1.00 99.99 H new ATOM 0 HD22 LEU A 43 -4.470 14.204 -11.834 1.00 99.99 H new ATOM 0 HD23 LEU A 43 -5.663 12.934 -11.469 1.00 99.99 H new ATOM 349 N ASP A 44 -2.827 9.214 -13.672 1.00 99.99 N ATOM 350 CA ASP A 44 -2.186 8.630 -14.842 1.00 99.99 C ATOM 351 C ASP A 44 -3.241 7.960 -15.713 1.00 99.99 C ATOM 352 O ASP A 44 -3.167 8.069 -16.912 1.00 99.99 O ATOM 353 CB ASP A 44 -1.165 7.540 -14.485 1.00 99.99 C ATOM 354 CG ASP A 44 -0.430 6.993 -15.724 1.00 99.99 C ATOM 355 OD1 ASP A 44 0.342 7.761 -16.345 1.00 99.99 O ATOM 356 OD2 ASP A 44 -0.586 5.778 -16.048 1.00 99.99 O ATOM 0 H ASP A 44 -2.569 8.769 -12.791 1.00 99.99 H new ATOM 0 HA ASP A 44 -1.675 9.448 -15.349 1.00 99.99 H new ATOM 0 HB2 ASP A 44 -0.436 7.945 -13.783 1.00 99.99 H new ATOM 0 HB3 ASP A 44 -1.675 6.721 -13.978 1.00 99.99 H new ATOM 361 N ARG A 45 -4.141 7.313 -15.113 1.00 99.99 N ATOM 362 CA ARG A 45 -5.200 6.603 -15.822 1.00 99.99 C ATOM 363 C ARG A 45 -6.060 7.604 -16.579 1.00 99.99 C ATOM 364 O ARG A 45 -6.402 7.346 -17.705 1.00 99.99 O ATOM 365 CB ARG A 45 -6.146 5.846 -14.880 1.00 99.99 C ATOM 366 CG ARG A 45 -5.466 4.694 -14.111 1.00 99.99 C ATOM 367 CD ARG A 45 -5.210 3.457 -14.982 1.00 99.99 C ATOM 368 NE ARG A 45 -3.816 3.546 -15.546 1.00 99.99 N ATOM 369 CZ ARG A 45 -3.466 2.866 -16.654 1.00 99.99 C ATOM 370 NH1 ARG A 45 -4.335 2.060 -17.290 1.00 99.99 N ATOM 371 NH2 ARG A 45 -2.205 2.983 -17.101 1.00 99.99 N ATOM 0 H ARG A 45 -4.198 7.237 -14.097 1.00 99.99 H new ATOM 0 HA ARG A 45 -4.702 5.891 -16.480 1.00 99.99 H new ATOM 0 HB2 ARG A 45 -6.570 6.549 -14.163 1.00 99.99 H new ATOM 0 HB3 ARG A 45 -6.976 5.443 -15.460 1.00 99.99 H new ATOM 0 HG2 ARG A 45 -4.518 5.047 -13.704 1.00 99.99 H new ATOM 0 HG3 ARG A 45 -6.091 4.412 -13.264 1.00 99.99 H new ATOM 0 HD2 ARG A 45 -5.321 2.548 -14.390 1.00 99.99 H new ATOM 0 HD3 ARG A 45 -5.942 3.404 -15.788 1.00 99.99 H new ATOM 0 HE ARG A 45 -3.124 4.133 -15.080 1.00 99.99 H new ATOM 0 HH11 ARG A 45 -5.285 1.953 -16.935 1.00 99.99 H new ATOM 0 HH12 ARG A 45 -4.044 1.556 -18.128 1.00 99.99 H new ATOM 0 HH21 ARG A 45 -1.540 3.576 -16.603 1.00 99.99 H new ATOM 0 HH22 ARG A 45 -1.912 2.479 -17.938 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 -6.461 10.346 -17.711 1.00 99.99 C ATOM 388 O LEU A 46 -5.456 11.026 -17.509 1.00 99.99 O ATOM 389 CB LEU A 46 -7.560 10.818 -15.577 1.00 99.99 C ATOM 390 CG LEU A 46 -8.325 10.426 -14.289 1.00 99.99 C ATOM 391 CD1 LEU A 46 -8.355 11.648 -13.351 1.00 99.99 C ATOM 392 CD2 LEU A 46 -9.750 9.930 -14.556 1.00 99.99 C ATOM 0 H LEU A 46 -6.062 8.870 -15.014 1.00 99.99 H new ATOM 0 HA LEU A 46 -8.125 9.196 -16.878 1.00 99.99 H new ATOM 0 HB2 LEU A 46 -6.633 11.309 -15.282 1.00 99.99 H new ATOM 0 HB3 LEU A 46 -8.156 11.558 -16.111 1.00 99.99 H new ATOM 0 HG LEU A 46 -7.798 9.590 -13.829 1.00 99.99 H new ATOM 0 HD11 LEU A 46 -8.890 11.392 -12.437 1.00 99.99 H new ATOM 0 HD12 LEU A 46 -7.335 11.942 -13.104 1.00 99.99 H new ATOM 0 HD13 LEU A 46 -8.861 12.476 -13.848 1.00 99.99 H new ATOM 0 HD21 LEU A 46 -10.229 9.673 -13.611 1.00 99.99 H new ATOM 0 HD22 LEU A 46 -10.322 10.715 -15.050 1.00 99.99 H new ATOM 0 HD23 LEU A 46 -9.715 9.049 -15.197 1.00 99.99 H new ATOM 405 N SER B 22 -10.411 0.601 18.985 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 -7.870 1.454 18.470 1.00 99.99 O ATOM 409 CB SER B 22 -11.011 2.514 17.455 1.00 99.99 C ATOM 410 OG SER B 22 -10.781 3.542 18.416 1.00 99.99 O ATOM 0 HA SER B 22 -10.357 0.528 16.898 1.00 99.99 H new ATOM 0 HB2 SER B 22 -10.827 2.911 16.457 1.00 99.99 H new ATOM 0 HB3 SER B 22 -12.059 2.218 17.493 1.00 99.99 H new ATOM 0 HG SER B 22 -11.367 4.304 18.226 1.00 99.99 H new ATOM 415 N SER B 23 -8.271 2.062 16.321 1.00 99.99 N ATOM 416 CA SER B 23 -6.941 2.538 16.026 1.00 99.99 C ATOM 417 C SER B 23 -7.112 3.962 15.561 1.00 99.99 C ATOM 418 O SER B 23 -8.175 4.555 15.744 1.00 99.99 O ATOM 419 CB SER B 23 -6.224 1.684 14.952 1.00 99.99 C ATOM 420 OG SER B 23 -6.045 0.354 15.421 1.00 99.99 O ATOM 0 H SER B 23 -8.903 2.111 15.522 1.00 99.99 H new ATOM 0 HA SER B 23 -6.307 2.468 16.910 1.00 99.99 H new ATOM 0 HB2 SER B 23 -6.809 1.677 14.032 1.00 99.99 H new ATOM 0 HB3 SER B 23 -5.257 2.126 14.712 1.00 99.99 H new ATOM 0 HG SER B 23 -5.592 -0.177 14.733 1.00 99.99 H new ATOM 426 N ASP B 24 -6.046 4.562 14.971 1.00 99.99 N ATOM 427 CA ASP B 24 -6.008 5.966 14.604 1.00 99.99 C ATOM 428 C ASP B 24 -6.572 6.115 13.208 1.00 99.99 C ATOM 429 O ASP B 24 -6.451 5.173 12.432 1.00 99.99 O ATOM 430 CB ASP B 24 -4.561 6.534 14.610 1.00 99.99 C ATOM 431 CG ASP B 24 -3.937 6.470 16.008 1.00 99.99 C ATOM 432 OD1 ASP B 24 -4.692 6.385 17.015 1.00 99.99 O ATOM 433 OD2 ASP B 24 -2.680 6.517 16.084 1.00 99.99 O ATOM 0 H ASP B 24 -5.187 4.061 14.742 1.00 99.99 H new ATOM 0 HA ASP B 24 -6.594 6.520 15.337 1.00 99.99 H new ATOM 0 HB2 ASP B 24 -3.945 5.970 13.910 1.00 99.99 H new ATOM 0 HB3 ASP B 24 -4.573 7.567 14.263 1.00 99.99 H new ATOM 438 N PRO B 25 -7.208 7.222 12.818 1.00 99.99 N ATOM 439 CA PRO B 25 -8.056 7.267 11.636 1.00 99.99 C ATOM 440 C PRO B 25 -7.268 7.285 10.346 1.00 99.99 C ATOM 441 O PRO B 25 -7.830 6.871 9.344 1.00 99.99 O ATOM 442 CB PRO B 25 -8.877 8.558 11.794 1.00 99.99 C ATOM 443 CG PRO B 25 -8.031 9.434 12.721 1.00 99.99 C ATOM 444 CD PRO B 25 -7.391 8.408 13.653 1.00 99.99 C ATOM 0 HA PRO B 25 -8.677 6.374 11.569 1.00 99.99 H new ATOM 0 HB2 PRO B 25 -9.045 9.043 10.832 1.00 99.99 H new ATOM 0 HB3 PRO B 25 -9.858 8.355 12.224 1.00 99.99 H new ATOM 0 HG2 PRO B 25 -7.283 10.004 12.170 1.00 99.99 H new ATOM 0 HG3 PRO B 25 -8.641 10.154 13.267 1.00 99.99 H new ATOM 0 HD2 PRO B 25 -6.440 8.767 14.046 1.00 99.99 H new ATOM 0 HD3 PRO B 25 -8.031 8.196 14.510 1.00 99.99 H new ATOM 452 N LEU B 26 -6.002 7.762 10.351 1.00 99.99 N ATOM 453 CA LEU B 26 -5.044 7.754 9.253 1.00 99.99 C ATOM 454 C LEU B 26 -4.593 6.326 8.987 1.00 99.99 C ATOM 455 O LEU B 26 -4.514 5.939 7.849 1.00 99.99 O ATOM 456 CB LEU B 26 -3.774 8.559 9.561 1.00 99.99 C ATOM 457 CG LEU B 26 -2.615 8.424 8.547 1.00 99.99 C ATOM 458 CD1 LEU B 26 -2.974 8.968 7.162 1.00 99.99 C ATOM 459 CD2 LEU B 26 -1.353 9.111 9.088 1.00 99.99 C ATOM 0 H LEU B 26 -5.608 8.190 11.189 1.00 99.99 H new ATOM 0 HA LEU B 26 -5.555 8.201 8.400 1.00 99.99 H new ATOM 0 HB2 LEU B 26 -4.045 9.612 9.632 1.00 99.99 H new ATOM 0 HB3 LEU B 26 -3.407 8.257 10.542 1.00 99.99 H new ATOM 0 HG LEU B 26 -2.421 7.359 8.423 1.00 99.99 H new ATOM 0 HD11 LEU B 26 -2.123 8.847 6.492 1.00 99.99 H new ATOM 0 HD12 LEU B 26 -3.829 8.420 6.766 1.00 99.99 H new ATOM 0 HD13 LEU B 26 -3.226 10.025 7.241 1.00 99.99 H new ATOM 0 HD21 LEU B 26 -0.544 9.009 8.364 1.00 99.99 H new ATOM 0 HD22 LEU B 26 -1.558 10.168 9.256 1.00 99.99 H new ATOM 0 HD23 LEU B 26 -1.060 8.644 10.028 1.00 99.99 H new ATOM 471 N VAL B 27 -4.317 5.625 10.001 1.00 99.99 N ATOM 472 CA VAL B 27 -3.850 4.247 9.893 1.00 99.99 C ATOM 473 C VAL B 27 -4.982 3.369 9.381 1.00 99.99 C ATOM 474 O VAL B 27 -4.757 2.579 8.499 1.00 99.99 O ATOM 475 CB VAL B 27 -3.419 3.656 11.242 1.00 99.99 C ATOM 476 CG1 VAL B 27 -3.050 2.167 11.093 1.00 99.99 C ATOM 477 CG2 VAL B 27 -2.198 4.435 11.780 1.00 99.99 C ATOM 0 H VAL B 27 -4.398 5.963 10.960 1.00 99.99 H new ATOM 0 HA VAL B 27 -2.994 4.266 9.219 1.00 99.99 H new ATOM 0 HB VAL B 27 -4.252 3.741 11.940 1.00 99.99 H new ATOM 0 HG11 VAL B 27 -2.747 1.768 12.061 1.00 99.99 H new ATOM 0 HG12 VAL B 27 -3.914 1.613 10.726 1.00 99.99 H new ATOM 0 HG13 VAL B 27 -2.227 2.065 10.386 1.00 99.99 H new ATOM 0 HG21 VAL B 27 -1.892 4.015 12.738 1.00 99.99 H new ATOM 0 HG22 VAL B 27 -1.375 4.357 11.070 1.00 99.99 H new ATOM 0 HG23 VAL B 27 -2.465 5.484 11.912 1.00 99.99 H new ATOM 487 N VAL B 28 -6.108 3.522 9.930 1.00 99.99 N ATOM 488 CA VAL B 28 -7.274 2.730 9.558 1.00 99.99 C ATOM 489 C VAL B 28 -7.733 3.136 8.166 1.00 99.99 C ATOM 490 O VAL B 28 -8.031 2.277 7.374 1.00 99.99 O ATOM 491 CB VAL B 28 -8.470 2.952 10.492 1.00 99.99 C ATOM 492 CG1 VAL B 28 -9.732 2.237 9.966 1.00 99.99 C ATOM 493 CG2 VAL B 28 -8.125 2.447 11.907 1.00 99.99 C ATOM 0 H VAL B 28 -6.287 4.203 10.668 1.00 99.99 H new ATOM 0 HA VAL B 28 -6.966 1.686 9.614 1.00 99.99 H new ATOM 0 HB VAL B 28 -8.682 4.021 10.529 1.00 99.99 H new ATOM 0 HG11 VAL B 28 -10.562 2.414 10.650 1.00 99.99 H new ATOM 0 HG12 VAL B 28 -9.986 2.625 8.980 1.00 99.99 H new ATOM 0 HG13 VAL B 28 -9.541 1.166 9.896 1.00 99.99 H new ATOM 0 HG21 VAL B 28 -8.977 2.606 12.568 1.00 99.99 H new ATOM 0 HG22 VAL B 28 -7.891 1.383 11.867 1.00 99.99 H new ATOM 0 HG23 VAL B 28 -7.263 2.994 12.288 1.00 99.99 H new ATOM 503 N ALA B 29 -7.782 4.373 7.926 1.00 99.99 N ATOM 504 CA ALA B 29 -8.230 4.904 6.642 1.00 99.99 C ATOM 505 C ALA B 29 -7.301 4.409 5.543 1.00 99.99 C ATOM 506 O ALA B 29 -7.778 4.047 4.496 1.00 99.99 O ATOM 507 CB ALA B 29 -8.192 6.436 6.584 1.00 99.99 C ATOM 0 H ALA B 29 -7.516 5.089 8.602 1.00 99.99 H new ATOM 0 HA ALA B 29 -9.258 4.566 6.512 1.00 99.99 H new ATOM 0 HB1 ALA B 29 -8.536 6.772 5.606 1.00 99.99 H new ATOM 0 HB2 ALA B 29 -8.842 6.846 7.357 1.00 99.99 H new ATOM 0 HB3 ALA B 29 -7.171 6.781 6.748 1.00 99.99 H new ATOM 513 N ALA B 30 -6.066 4.417 5.800 1.00 99.99 N ATOM 514 CA ALA B 30 -5.065 3.994 4.829 1.00 99.99 C ATOM 515 C ALA B 30 -5.259 2.520 4.511 1.00 99.99 C ATOM 516 O ALA B 30 -5.064 2.134 3.385 1.00 99.99 O ATOM 517 CB ALA B 30 -3.629 4.136 5.353 1.00 99.99 C ATOM 0 H ALA B 30 -5.678 4.716 6.695 1.00 99.99 H new ATOM 0 HA ALA B 30 -5.197 4.635 3.957 1.00 99.99 H new ATOM 0 HB1 ALA B 30 -2.928 3.806 4.587 1.00 99.99 H new ATOM 0 HB2 ALA B 30 -3.433 5.180 5.599 1.00 99.99 H new ATOM 0 HB3 ALA B 30 -3.505 3.523 6.246 1.00 99.99 H new ATOM 523 N SER B 31 -5.620 1.781 5.466 1.00 99.99 N ATOM 524 CA SER B 31 -5.820 0.344 5.310 1.00 99.99 C ATOM 525 C SER B 31 -6.916 0.099 4.283 1.00 99.99 C ATOM 526 O SER B 31 -6.743 -0.732 3.427 1.00 99.99 O ATOM 527 CB SER B 31 -6.275 -0.341 6.604 1.00 99.99 C ATOM 528 OG SER B 31 -5.253 -0.281 7.596 1.00 99.99 O ATOM 0 H SER B 31 -5.798 2.125 6.409 1.00 99.99 H new ATOM 0 HA SER B 31 -4.857 -0.068 5.008 1.00 99.99 H new ATOM 0 HB2 SER B 31 -7.179 0.141 6.977 1.00 99.99 H new ATOM 0 HB3 SER B 31 -6.529 -1.381 6.400 1.00 99.99 H new ATOM 0 HG SER B 31 -5.125 0.649 7.878 1.00 99.99 H new ATOM 534 N ILE B 32 -7.965 0.791 4.402 1.00 99.99 N ATOM 535 CA ILE B 32 -9.104 0.641 3.505 1.00 99.99 C ATOM 536 C ILE B 32 -8.698 1.049 2.097 1.00 99.99 C ATOM 537 O ILE B 32 -9.125 0.428 1.160 1.00 99.99 O ATOM 538 CB ILE B 32 -10.290 1.536 3.891 1.00 99.99 C ATOM 539 CG1 ILE B 32 -10.867 1.099 5.255 1.00 99.99 C ATOM 540 CG2 ILE B 32 -11.391 1.487 2.811 1.00 99.99 C ATOM 541 CD1 ILE B 32 -11.805 2.143 5.873 1.00 99.99 C ATOM 0 H ILE B 32 -8.095 1.499 5.125 1.00 99.99 H new ATOM 0 HA ILE B 32 -9.406 -0.404 3.569 1.00 99.99 H new ATOM 0 HB ILE B 32 -9.930 2.562 3.969 1.00 99.99 H new ATOM 0 HG12 ILE B 32 -11.408 0.161 5.130 1.00 99.99 H new ATOM 0 HG13 ILE B 32 -10.046 0.904 5.945 1.00 99.99 H new ATOM 0 HG21 ILE B 32 -12.220 2.129 3.108 1.00 99.99 H new ATOM 0 HG22 ILE B 32 -10.985 1.834 1.861 1.00 99.99 H new ATOM 0 HG23 ILE B 32 -11.747 0.463 2.700 1.00 99.99 H new ATOM 0 HD11 ILE B 32 -12.177 1.777 6.830 1.00 99.99 H new ATOM 0 HD12 ILE B 32 -11.261 3.075 6.028 1.00 99.99 H new ATOM 0 HD13 ILE B 32 -12.645 2.321 5.201 1.00 99.99 H new ATOM 553 N ILE B 33 -7.923 2.041 2.002 1.00 99.99 N ATOM 554 CA ILE B 33 -7.473 2.560 0.715 1.00 99.99 C ATOM 555 C ILE B 33 -6.694 1.478 -0.020 1.00 99.99 C ATOM 556 O ILE B 33 -6.928 1.277 -1.184 1.00 99.99 O ATOM 557 CB ILE B 33 -6.522 3.757 0.851 1.00 99.99 C ATOM 558 CG1 ILE B 33 -7.369 5.038 1.054 1.00 99.99 C ATOM 559 CG2 ILE B 33 -5.590 3.901 -0.365 1.00 99.99 C ATOM 560 CD1 ILE B 33 -6.586 6.248 1.577 1.00 99.99 C ATOM 0 H ILE B 33 -7.556 2.549 2.807 1.00 99.99 H new ATOM 0 HA ILE B 33 -8.371 2.873 0.182 1.00 99.99 H new ATOM 0 HB ILE B 33 -5.875 3.595 1.713 1.00 99.99 H new ATOM 0 HG12 ILE B 33 -7.832 5.305 0.104 1.00 99.99 H new ATOM 0 HG13 ILE B 33 -8.177 4.816 1.751 1.00 99.99 H new ATOM 0 HG21 ILE B 33 -4.936 4.761 -0.222 1.00 99.99 H new ATOM 0 HG22 ILE B 33 -4.986 3.000 -0.469 1.00 99.99 H new ATOM 0 HG23 ILE B 33 -6.187 4.044 -1.266 1.00 99.99 H new ATOM 0 HD11 ILE B 33 -7.260 7.097 1.688 1.00 99.99 H new ATOM 0 HD12 ILE B 33 -6.145 6.006 2.544 1.00 99.99 H new ATOM 0 HD13 ILE B 33 -5.795 6.502 0.871 1.00 99.99 H new ATOM 572 N GLY B 34 -5.834 0.847 0.654 1.00 99.99 N ATOM 573 CA GLY B 34 -5.000 -0.200 0.070 1.00 99.99 C ATOM 574 C GLY B 34 -5.878 -1.367 -0.351 1.00 99.99 C ATOM 575 O GLY B 34 -5.611 -1.964 -1.363 1.00 99.99 O ATOM 0 H GLY B 34 -5.657 1.017 1.644 1.00 99.99 H new ATOM 0 HA2 GLY B 34 -4.457 0.190 -0.791 1.00 99.99 H new ATOM 0 HA3 GLY B 34 -4.255 -0.533 0.793 1.00 99.99 H new ATOM 579 N ILE B 35 -7.145 -1.333 0.029 1.00 99.99 N ATOM 580 CA ILE B 35 -8.020 -2.379 -0.495 1.00 99.99 C ATOM 581 C ILE B 35 -8.741 -1.862 -1.730 1.00 99.99 C ATOM 582 O ILE B 35 -8.800 -2.563 -2.708 1.00 99.99 O ATOM 583 CB ILE B 35 -9.110 -2.799 0.499 1.00 99.99 C ATOM 584 CG1 ILE B 35 -8.471 -3.332 1.806 1.00 99.99 C ATOM 585 CG2 ILE B 35 -10.013 -3.876 -0.139 1.00 99.99 C ATOM 586 CD1 ILE B 35 -9.442 -3.487 2.981 1.00 99.99 C ATOM 0 H ILE B 35 -7.572 -0.648 0.652 1.00 99.99 H new ATOM 0 HA ILE B 35 -7.379 -3.235 -0.708 1.00 99.99 H new ATOM 0 HB ILE B 35 -9.719 -1.929 0.746 1.00 99.99 H new ATOM 0 HG12 ILE B 35 -8.013 -4.300 1.601 1.00 99.99 H new ATOM 0 HG13 ILE B 35 -7.669 -2.657 2.103 1.00 99.99 H new ATOM 0 HG21 ILE B 35 -10.785 -4.171 0.571 1.00 99.99 H new ATOM 0 HG22 ILE B 35 -10.481 -3.473 -1.037 1.00 99.99 H new ATOM 0 HG23 ILE B 35 -9.411 -4.746 -0.402 1.00 99.99 H new ATOM 0 HD11 ILE B 35 -8.904 -3.865 3.850 1.00 99.99 H new ATOM 0 HD12 ILE B 35 -9.882 -2.519 3.220 1.00 99.99 H new ATOM 0 HD13 ILE B 35 -10.232 -4.188 2.710 1.00 99.99 H new ATOM 598 N LEU B 36 -9.243 -0.708 -1.648 1.00 99.99 N ATOM 599 CA LEU B 36 -9.986 -0.100 -2.747 1.00 99.99 C ATOM 600 C LEU B 36 -9.079 0.014 -3.963 1.00 99.99 C ATOM 601 O LEU B 36 -9.515 -0.275 -5.048 1.00 99.99 O ATOM 602 CB LEU B 36 -10.465 1.322 -2.429 1.00 99.99 C ATOM 603 CG LEU B 36 -11.142 2.071 -3.596 1.00 99.99 C ATOM 604 CD1 LEU B 36 -12.431 1.363 -4.036 1.00 99.99 C ATOM 605 CD2 LEU B 36 -11.422 3.533 -3.224 1.00 99.99 C ATOM 0 H LEU B 36 -9.170 -0.118 -0.819 1.00 99.99 H new ATOM 0 HA LEU B 36 -10.851 -0.739 -2.923 1.00 99.99 H new ATOM 0 HB2 LEU B 36 -11.166 1.273 -1.596 1.00 99.99 H new ATOM 0 HB3 LEU B 36 -9.610 1.908 -2.091 1.00 99.99 H new ATOM 0 HG LEU B 36 -10.451 2.064 -4.439 1.00 99.99 H new ATOM 0 HD11 LEU B 36 -12.886 1.914 -4.859 1.00 99.99 H new ATOM 0 HD12 LEU B 36 -12.196 0.350 -4.363 1.00 99.99 H new ATOM 0 HD13 LEU B 36 -13.128 1.322 -3.199 1.00 99.99 H new ATOM 0 HD21 LEU B 36 -11.899 4.037 -4.064 1.00 99.99 H new ATOM 0 HD22 LEU B 36 -12.082 3.568 -2.357 1.00 99.99 H new ATOM 0 HD23 LEU B 36 -10.484 4.034 -2.986 1.00 99.99 H new ATOM 617 N HIS B 37 -7.814 0.458 -3.783 1.00 99.99 N ATOM 618 CA HIS B 37 -6.854 0.668 -4.839 1.00 99.99 C ATOM 619 C HIS B 37 -6.555 -0.633 -5.534 1.00 99.99 C ATOM 620 O HIS B 37 -6.211 -0.650 -6.714 1.00 99.99 O ATOM 621 CB HIS B 37 -5.533 1.261 -4.292 1.00 99.99 C ATOM 622 CG HIS B 37 -4.555 1.683 -5.358 1.00 99.99 C ATOM 623 ND1 HIS B 37 -3.233 1.914 -5.093 1.00 99.99 N ATOM 624 CD2 HIS B 37 -4.751 1.957 -6.670 1.00 99.99 C ATOM 625 CE1 HIS B 37 -2.643 2.306 -6.214 1.00 99.99 C ATOM 626 NE2 HIS B 37 -3.544 2.340 -7.187 1.00 99.99 N ATOM 0 H HIS B 37 -7.442 0.681 -2.860 1.00 99.99 H new ATOM 0 HA HIS B 37 -7.291 1.376 -5.543 1.00 99.99 H new ATOM 0 HB2 HIS B 37 -5.766 2.123 -3.668 1.00 99.99 H new ATOM 0 HB3 HIS B 37 -5.055 0.522 -3.649 1.00 99.99 H new ATOM 0 HD2 HIS B 37 -5.685 1.886 -7.207 1.00 99.99 H new ATOM 0 HE1 HIS B 37 -1.598 2.557 -6.318 1.00 99.99 H new ATOM 0 HE2 HIS B 37 -3.367 2.606 -8.156 1.00 99.99 H new ATOM 634 N LEU B 38 -6.725 -1.762 -4.805 1.00 99.99 N ATOM 635 CA LEU B 38 -6.494 -3.099 -5.338 1.00 99.99 C ATOM 636 C LEU B 38 -7.612 -3.455 -6.307 1.00 99.99 C ATOM 637 O LEU B 38 -7.334 -3.972 -7.359 1.00 99.99 O ATOM 638 CB LEU B 38 -6.498 -4.185 -4.254 1.00 99.99 C ATOM 639 CG LEU B 38 -6.278 -5.613 -4.811 1.00 99.99 C ATOM 640 CD1 LEU B 38 -4.941 -5.735 -5.554 1.00 99.99 C ATOM 641 CD2 LEU B 38 -6.381 -6.679 -3.720 1.00 99.99 C ATOM 0 H LEU B 38 -7.027 -1.756 -3.831 1.00 99.99 H new ATOM 0 HA LEU B 38 -5.514 -3.072 -5.814 1.00 99.99 H new ATOM 0 HB2 LEU B 38 -5.718 -3.963 -3.526 1.00 99.99 H new ATOM 0 HB3 LEU B 38 -7.449 -4.153 -3.722 1.00 99.99 H new ATOM 0 HG LEU B 38 -7.081 -5.790 -5.526 1.00 99.99 H new ATOM 0 HD11 LEU B 38 -4.825 -6.752 -5.929 1.00 99.99 H new ATOM 0 HD12 LEU B 38 -4.924 -5.036 -6.390 1.00 99.99 H new ATOM 0 HD13 LEU B 38 -4.123 -5.504 -4.871 1.00 99.99 H new ATOM 0 HD21 LEU B 38 -6.220 -7.664 -4.158 1.00 99.99 H new ATOM 0 HD22 LEU B 38 -5.625 -6.493 -2.957 1.00 99.99 H new ATOM 0 HD23 LEU B 38 -7.371 -6.641 -3.267 1.00 99.99 H new ATOM 653 N ILE B 39 -8.786 -3.185 -5.936 1.00 99.99 N ATOM 654 CA ILE B 39 -9.955 -3.496 -6.751 1.00 99.99 C ATOM 655 C ILE B 39 -9.899 -2.685 -8.037 1.00 99.99 C ATOM 656 O ILE B 39 -10.166 -3.225 -9.082 1.00 99.99 O ATOM 657 CB ILE B 39 -11.278 -3.129 -6.065 1.00 99.99 C ATOM 658 CG1 ILE B 39 -11.504 -4.041 -4.839 1.00 99.99 C ATOM 659 CG2 ILE B 39 -12.450 -3.260 -7.060 1.00 99.99 C ATOM 660 CD1 ILE B 39 -12.708 -3.635 -3.979 1.00 99.99 C ATOM 0 H ILE B 39 -9.007 -2.734 -5.048 1.00 99.99 H new ATOM 0 HA ILE B 39 -9.929 -4.572 -6.926 1.00 99.99 H new ATOM 0 HB ILE B 39 -11.228 -2.094 -5.728 1.00 99.99 H new ATOM 0 HG12 ILE B 39 -11.643 -5.066 -5.181 1.00 99.99 H new ATOM 0 HG13 ILE B 39 -10.607 -4.031 -4.220 1.00 99.99 H new ATOM 0 HG21 ILE B 39 -13.382 -2.997 -6.561 1.00 99.99 H new ATOM 0 HG22 ILE B 39 -12.288 -2.589 -7.903 1.00 99.99 H new ATOM 0 HG23 ILE B 39 -12.509 -4.287 -7.420 1.00 99.99 H new ATOM 0 HD11 ILE B 39 -12.802 -4.322 -3.138 1.00 99.99 H new ATOM 0 HD12 ILE B 39 -12.563 -2.621 -3.606 1.00 99.99 H new ATOM 0 HD13 ILE B 39 -13.615 -3.673 -4.582 1.00 99.99 H new ATOM 672 N LEU B 40 -9.579 -1.472 -7.927 1.00 99.99 N ATOM 673 CA LEU B 40 -9.511 -0.572 -9.072 1.00 99.99 C ATOM 674 C LEU B 40 -8.450 -1.070 -10.042 1.00 99.99 C ATOM 675 O LEU B 40 -8.697 -1.086 -11.222 1.00 99.99 O ATOM 676 CB LEU B 40 -9.108 0.857 -8.688 1.00 99.99 C ATOM 677 CG LEU B 40 -10.171 1.663 -7.909 1.00 99.99 C ATOM 678 CD1 LEU B 40 -9.586 3.027 -7.494 1.00 99.99 C ATOM 679 CD2 LEU B 40 -11.457 1.869 -8.719 1.00 99.99 C ATOM 0 H LEU B 40 -9.345 -1.030 -7.038 1.00 99.99 H new ATOM 0 HA LEU B 40 -10.510 -0.558 -9.507 1.00 99.99 H new ATOM 0 HB2 LEU B 40 -8.200 0.810 -8.086 1.00 99.99 H new ATOM 0 HB3 LEU B 40 -8.859 1.402 -9.598 1.00 99.99 H new ATOM 0 HG LEU B 40 -10.437 1.086 -7.024 1.00 99.99 H new ATOM 0 HD11 LEU B 40 -10.338 3.593 -6.945 1.00 99.99 H new ATOM 0 HD12 LEU B 40 -8.714 2.871 -6.859 1.00 99.99 H new ATOM 0 HD13 LEU B 40 -9.292 3.583 -8.384 1.00 99.99 H new ATOM 0 HD21 LEU B 40 -12.172 2.441 -8.127 1.00 99.99 H new ATOM 0 HD22 LEU B 40 -11.227 2.413 -9.635 1.00 99.99 H new ATOM 0 HD23 LEU B 40 -11.887 0.900 -8.971 1.00 99.99 H new ATOM 691 N TRP B 41 -7.354 -1.441 -9.539 1.00 99.99 N ATOM 692 CA TRP B 41 -6.241 -1.915 -10.353 1.00 99.99 C ATOM 693 C TRP B 41 -6.617 -3.244 -10.990 1.00 99.99 C ATOM 694 O TRP B 41 -6.337 -3.441 -12.146 1.00 99.99 O ATOM 695 CB TRP B 41 -4.968 -2.169 -9.534 1.00 99.99 C ATOM 696 CG TRP B 41 -3.764 -2.562 -10.371 1.00 99.99 C ATOM 697 CD1 TRP B 41 -2.974 -1.737 -11.111 1.00 99.99 C ATOM 698 CD2 TRP B 41 -3.306 -3.902 -10.619 1.00 99.99 C ATOM 699 NE1 TRP B 41 -2.000 -2.456 -11.743 1.00 99.99 N ATOM 700 CE2 TRP B 41 -2.207 -3.791 -11.491 1.00 99.99 C ATOM 701 CE3 TRP B 41 -3.750 -5.144 -10.154 1.00 99.99 C ATOM 702 CZ2 TRP B 41 -1.514 -4.919 -11.905 1.00 99.99 C ATOM 703 CZ3 TRP B 41 -3.057 -6.277 -10.586 1.00 99.99 C ATOM 704 CH2 TRP B 41 -1.952 -6.173 -11.448 1.00 99.99 C ATOM 0 H TRP B 41 -7.164 -1.438 -8.537 1.00 99.99 H new ATOM 0 HA TRP B 41 -6.043 -1.135 -11.088 1.00 99.99 H new ATOM 0 HB2 TRP B 41 -4.726 -1.269 -8.968 1.00 99.99 H new ATOM 0 HB3 TRP B 41 -5.166 -2.958 -8.808 1.00 99.99 H new ATOM 0 HD1 TRP B 41 -3.099 -0.667 -11.187 1.00 99.99 H new ATOM 0 HE1 TRP B 41 -1.245 -2.067 -12.308 1.00 99.99 H new ATOM 0 HE3 TRP B 41 -4.596 -5.224 -9.487 1.00 99.99 H new ATOM 0 HZ2 TRP B 41 -0.660 -4.835 -12.561 1.00 99.99 H new ATOM 0 HZ3 TRP B 41 -3.377 -7.253 -10.251 1.00 99.99 H new ATOM 0 HH2 TRP B 41 -1.434 -7.067 -11.763 1.00 99.99 H new ATOM 715 N ILE B 42 -7.202 -4.080 -10.246 1.00 99.99 N ATOM 716 CA ILE B 42 -7.595 -5.404 -10.718 1.00 99.99 C ATOM 717 C ILE B 42 -8.682 -5.259 -11.773 1.00 99.99 C ATOM 718 O ILE B 42 -8.629 -5.942 -12.765 1.00 99.99 O ATOM 719 CB ILE B 42 -8.185 -6.282 -9.609 1.00 99.99 C ATOM 720 CG1 ILE B 42 -7.073 -6.713 -8.624 1.00 99.99 C ATOM 721 CG2 ILE B 42 -8.883 -7.525 -10.203 1.00 99.99 C ATOM 722 CD1 ILE B 42 -7.592 -7.519 -7.423 1.00 99.99 C ATOM 0 H ILE B 42 -7.442 -3.897 -9.272 1.00 99.99 H new ATOM 0 HA ILE B 42 -6.690 -5.873 -11.104 1.00 99.99 H new ATOM 0 HB ILE B 42 -8.931 -5.698 -9.070 1.00 99.99 H new ATOM 0 HG12 ILE B 42 -6.336 -7.311 -9.160 1.00 99.99 H new ATOM 0 HG13 ILE B 42 -6.558 -5.824 -8.259 1.00 99.99 H new ATOM 0 HG21 ILE B 42 -9.293 -8.132 -9.396 1.00 99.99 H new ATOM 0 HG22 ILE B 42 -9.689 -7.208 -10.865 1.00 99.99 H new ATOM 0 HG23 ILE B 42 -8.160 -8.113 -10.768 1.00 99.99 H new ATOM 0 HD11 ILE B 42 -6.757 -7.786 -6.776 1.00 99.99 H new ATOM 0 HD12 ILE B 42 -8.307 -6.917 -6.862 1.00 99.99 H new ATOM 0 HD13 ILE B 42 -8.081 -8.426 -7.778 1.00 99.99 H new ATOM 734 N LEU B 43 -9.594 -4.421 -11.534 1.00 99.99 N ATOM 735 CA LEU B 43 -10.709 -4.200 -12.446 1.00 99.99 C ATOM 736 C LEU B 43 -10.184 -3.629 -13.755 1.00 99.99 C ATOM 737 O LEU B 43 -10.713 -3.953 -14.789 1.00 99.99 O ATOM 738 CB LEU B 43 -11.727 -3.185 -11.909 1.00 99.99 C ATOM 739 CG LEU B 43 -12.545 -3.684 -10.695 1.00 99.99 C ATOM 740 CD1 LEU B 43 -13.332 -2.518 -10.068 1.00 99.99 C ATOM 741 CD2 LEU B 43 -13.505 -4.822 -11.075 1.00 99.99 C ATOM 0 H LEU B 43 -9.621 -3.841 -10.695 1.00 99.99 H new ATOM 0 HA LEU B 43 -11.197 -5.167 -12.572 1.00 99.99 H new ATOM 0 HB2 LEU B 43 -11.200 -2.274 -11.627 1.00 99.99 H new ATOM 0 HB3 LEU B 43 -12.415 -2.919 -12.711 1.00 99.99 H new ATOM 0 HG LEU B 43 -11.837 -4.079 -9.966 1.00 99.99 H new ATOM 0 HD11 LEU B 43 -13.904 -2.882 -9.214 1.00 99.99 H new ATOM 0 HD12 LEU B 43 -12.637 -1.746 -9.737 1.00 99.99 H new ATOM 0 HD13 LEU B 43 -14.013 -2.099 -10.809 1.00 99.99 H new ATOM 0 HD21 LEU B 43 -14.059 -5.141 -10.192 1.00 99.99 H new ATOM 0 HD22 LEU B 43 -14.204 -4.470 -11.834 1.00 99.99 H new ATOM 0 HD23 LEU B 43 -12.934 -5.663 -11.469 1.00 99.99 H new ATOM 753 N ASP B 44 -9.214 -2.827 -13.672 1.00 99.99 N ATOM 754 CA ASP B 44 -8.630 -2.186 -14.842 1.00 99.99 C ATOM 755 C ASP B 44 -7.960 -3.241 -15.713 1.00 99.99 C ATOM 756 O ASP B 44 -8.069 -3.167 -16.912 1.00 99.99 O ATOM 757 CB ASP B 44 -7.540 -1.165 -14.485 1.00 99.99 C ATOM 758 CG ASP B 44 -6.993 -0.430 -15.724 1.00 99.99 C ATOM 759 OD1 ASP B 44 -7.761 0.342 -16.345 1.00 99.99 O ATOM 760 OD2 ASP B 44 -5.778 -0.586 -16.048 1.00 99.99 O ATOM 0 H ASP B 44 -8.769 -2.569 -12.791 1.00 99.99 H new ATOM 0 HA ASP B 44 -9.448 -1.675 -15.349 1.00 99.99 H new ATOM 0 HB2 ASP B 44 -7.945 -0.436 -13.783 1.00 99.99 H new ATOM 0 HB3 ASP B 44 -6.721 -1.675 -13.978 1.00 99.99 H new ATOM 765 N ARG B 45 -7.313 -4.141 -15.113 1.00 99.99 N ATOM 766 CA ARG B 45 -6.603 -5.200 -15.822 1.00 99.99 C ATOM 767 C ARG B 45 -7.604 -6.060 -16.579 1.00 99.99 C ATOM 768 O ARG B 45 -7.346 -6.402 -17.705 1.00 99.99 O ATOM 769 CB ARG B 45 -5.846 -6.146 -14.880 1.00 99.99 C ATOM 770 CG ARG B 45 -4.694 -5.466 -14.111 1.00 99.99 C ATOM 771 CD ARG B 45 -3.457 -5.210 -14.982 1.00 99.99 C ATOM 772 NE ARG B 45 -3.546 -3.816 -15.546 1.00 99.99 N ATOM 773 CZ ARG B 45 -2.866 -3.466 -16.654 1.00 99.99 C ATOM 774 NH1 ARG B 45 -2.060 -4.335 -17.290 1.00 99.99 N ATOM 775 NH2 ARG B 45 -2.983 -2.205 -17.101 1.00 99.99 N ATOM 0 H ARG B 45 -7.237 -4.198 -14.097 1.00 99.99 H new ATOM 0 HA ARG B 45 -5.891 -4.702 -16.480 1.00 99.99 H new ATOM 0 HB2 ARG B 45 -6.549 -6.570 -14.163 1.00 99.99 H new ATOM 0 HB3 ARG B 45 -5.443 -6.976 -15.460 1.00 99.99 H new ATOM 0 HG2 ARG B 45 -5.047 -4.518 -13.704 1.00 99.99 H new ATOM 0 HG3 ARG B 45 -4.412 -6.091 -13.264 1.00 99.99 H new ATOM 0 HD2 ARG B 45 -2.548 -5.321 -14.390 1.00 99.99 H new ATOM 0 HD3 ARG B 45 -3.404 -5.942 -15.788 1.00 99.99 H new ATOM 0 HE ARG B 45 -4.133 -3.124 -15.080 1.00 99.99 H new ATOM 0 HH11 ARG B 45 -1.953 -5.285 -16.935 1.00 99.99 H new ATOM 0 HH12 ARG B 45 -1.556 -4.044 -18.128 1.00 99.99 H new ATOM 0 HH21 ARG B 45 -3.576 -1.540 -16.603 1.00 99.99 H new ATOM 0 HH22 ARG B 45 -2.479 -1.912 -17.938 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 -10.346 -6.461 -17.711 1.00 99.99 C ATOM 792 O LEU B 46 -11.026 -5.456 -17.509 1.00 99.99 O ATOM 793 CB LEU B 46 -10.818 -7.560 -15.577 1.00 99.99 C ATOM 794 CG LEU B 46 -10.426 -8.325 -14.289 1.00 99.99 C ATOM 795 CD1 LEU B 46 -11.648 -8.355 -13.351 1.00 99.99 C ATOM 796 CD2 LEU B 46 -9.930 -9.750 -14.556 1.00 99.99 C ATOM 0 H LEU B 46 -8.870 -6.062 -15.014 1.00 99.99 H new ATOM 0 HA LEU B 46 -9.196 -8.125 -16.878 1.00 99.99 H new ATOM 0 HB2 LEU B 46 -11.309 -6.633 -15.282 1.00 99.99 H new ATOM 0 HB3 LEU B 46 -11.558 -8.156 -16.111 1.00 99.99 H new ATOM 0 HG LEU B 46 -9.590 -7.798 -13.829 1.00 99.99 H new ATOM 0 HD11 LEU B 46 -11.392 -8.890 -12.437 1.00 99.99 H new ATOM 0 HD12 LEU B 46 -11.942 -7.335 -13.104 1.00 99.99 H new ATOM 0 HD13 LEU B 46 -12.476 -8.861 -13.848 1.00 99.99 H new ATOM 0 HD21 LEU B 46 -9.673 -10.229 -13.611 1.00 99.99 H new ATOM 0 HD22 LEU B 46 -10.715 -10.322 -15.050 1.00 99.99 H new ATOM 0 HD23 LEU B 46 -9.049 -9.715 -15.197 1.00 99.99 H new ATOM 809 N SER C 22 -0.601 -10.411 18.985 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 -1.454 -7.870 18.470 1.00 99.99 O ATOM 813 CB SER C 22 -2.514 -11.011 17.455 1.00 99.99 C ATOM 814 OG SER C 22 -3.542 -10.781 18.416 1.00 99.99 O ATOM 0 HA SER C 22 -0.528 -10.357 16.898 1.00 99.99 H new ATOM 0 HB2 SER C 22 -2.911 -10.827 16.457 1.00 99.99 H new ATOM 0 HB3 SER C 22 -2.218 -12.059 17.493 1.00 99.99 H new ATOM 0 HG SER C 22 -4.304 -11.367 18.226 1.00 99.99 H new ATOM 819 N SER C 23 -2.062 -8.271 16.321 1.00 99.99 N ATOM 820 CA SER C 23 -2.538 -6.941 16.026 1.00 99.99 C ATOM 821 C SER C 23 -3.962 -7.112 15.561 1.00 99.99 C ATOM 822 O SER C 23 -4.555 -8.175 15.744 1.00 99.99 O ATOM 823 CB SER C 23 -1.684 -6.224 14.952 1.00 99.99 C ATOM 824 OG SER C 23 -0.354 -6.045 15.421 1.00 99.99 O ATOM 0 H SER C 23 -2.111 -8.903 15.522 1.00 99.99 H new ATOM 0 HA SER C 23 -2.468 -6.307 16.910 1.00 99.99 H new ATOM 0 HB2 SER C 23 -1.677 -6.809 14.032 1.00 99.99 H new ATOM 0 HB3 SER C 23 -2.126 -5.257 14.712 1.00 99.99 H new ATOM 0 HG SER C 23 0.177 -5.592 14.733 1.00 99.99 H new ATOM 830 N ASP C 24 -4.562 -6.046 14.971 1.00 99.99 N ATOM 831 CA ASP C 24 -5.966 -6.008 14.604 1.00 99.99 C ATOM 832 C ASP C 24 -6.115 -6.572 13.208 1.00 99.99 C ATOM 833 O ASP C 24 -5.173 -6.451 12.432 1.00 99.99 O ATOM 834 CB ASP C 24 -6.534 -4.561 14.610 1.00 99.99 C ATOM 835 CG ASP C 24 -6.470 -3.937 16.008 1.00 99.99 C ATOM 836 OD1 ASP C 24 -6.385 -4.692 17.015 1.00 99.99 O ATOM 837 OD2 ASP C 24 -6.517 -2.680 16.084 1.00 99.99 O ATOM 0 H ASP C 24 -4.061 -5.187 14.742 1.00 99.99 H new ATOM 0 HA ASP C 24 -6.520 -6.594 15.337 1.00 99.99 H new ATOM 0 HB2 ASP C 24 -5.970 -3.945 13.910 1.00 99.99 H new ATOM 0 HB3 ASP C 24 -7.567 -4.573 14.263 1.00 99.99 H new ATOM 842 N PRO C 25 -7.222 -7.208 12.818 1.00 99.99 N ATOM 843 CA PRO C 25 -7.267 -8.056 11.636 1.00 99.99 C ATOM 844 C PRO C 25 -7.285 -7.268 10.346 1.00 99.99 C ATOM 845 O PRO C 25 -6.871 -7.830 9.344 1.00 99.99 O ATOM 846 CB PRO C 25 -8.558 -8.877 11.794 1.00 99.99 C ATOM 847 CG PRO C 25 -9.434 -8.031 12.721 1.00 99.99 C ATOM 848 CD PRO C 25 -8.408 -7.391 13.653 1.00 99.99 C ATOM 0 HA PRO C 25 -6.374 -8.677 11.569 1.00 99.99 H new ATOM 0 HB2 PRO C 25 -9.043 -9.045 10.832 1.00 99.99 H new ATOM 0 HB3 PRO C 25 -8.355 -9.858 12.224 1.00 99.99 H new ATOM 0 HG2 PRO C 25 -10.004 -7.283 12.170 1.00 99.99 H new ATOM 0 HG3 PRO C 25 -10.154 -8.641 13.267 1.00 99.99 H new ATOM 0 HD2 PRO C 25 -8.767 -6.440 14.046 1.00 99.99 H new ATOM 0 HD3 PRO C 25 -8.196 -8.031 14.510 1.00 99.99 H new ATOM 856 N LEU C 26 -7.762 -6.002 10.351 1.00 99.99 N ATOM 857 CA LEU C 26 -7.754 -5.044 9.253 1.00 99.99 C ATOM 858 C LEU C 26 -6.326 -4.593 8.987 1.00 99.99 C ATOM 859 O LEU C 26 -5.939 -4.514 7.849 1.00 99.99 O ATOM 860 CB LEU C 26 -8.559 -3.774 9.561 1.00 99.99 C ATOM 861 CG LEU C 26 -8.424 -2.615 8.547 1.00 99.99 C ATOM 862 CD1 LEU C 26 -8.968 -2.974 7.162 1.00 99.99 C ATOM 863 CD2 LEU C 26 -9.111 -1.353 9.088 1.00 99.99 C ATOM 0 H LEU C 26 -8.190 -5.608 11.189 1.00 99.99 H new ATOM 0 HA LEU C 26 -8.201 -5.555 8.400 1.00 99.99 H new ATOM 0 HB2 LEU C 26 -9.612 -4.045 9.632 1.00 99.99 H new ATOM 0 HB3 LEU C 26 -8.257 -3.407 10.542 1.00 99.99 H new ATOM 0 HG LEU C 26 -7.359 -2.421 8.423 1.00 99.99 H new ATOM 0 HD11 LEU C 26 -8.847 -2.123 6.492 1.00 99.99 H new ATOM 0 HD12 LEU C 26 -8.420 -3.829 6.766 1.00 99.99 H new ATOM 0 HD13 LEU C 26 -10.025 -3.226 7.241 1.00 99.99 H new ATOM 0 HD21 LEU C 26 -9.009 -0.544 8.364 1.00 99.99 H new ATOM 0 HD22 LEU C 26 -10.168 -1.558 9.256 1.00 99.99 H new ATOM 0 HD23 LEU C 26 -8.644 -1.060 10.028 1.00 99.99 H new ATOM 875 N VAL C 27 -5.625 -4.317 10.001 1.00 99.99 N ATOM 876 CA VAL C 27 -4.247 -3.850 9.893 1.00 99.99 C ATOM 877 C VAL C 27 -3.369 -4.982 9.381 1.00 99.99 C ATOM 878 O VAL C 27 -2.579 -4.757 8.499 1.00 99.99 O ATOM 879 CB VAL C 27 -3.656 -3.419 11.242 1.00 99.99 C ATOM 880 CG1 VAL C 27 -2.167 -3.050 11.093 1.00 99.99 C ATOM 881 CG2 VAL C 27 -4.435 -2.198 11.780 1.00 99.99 C ATOM 0 H VAL C 27 -5.963 -4.398 10.960 1.00 99.99 H new ATOM 0 HA VAL C 27 -4.266 -2.994 9.219 1.00 99.99 H new ATOM 0 HB VAL C 27 -3.741 -4.252 11.940 1.00 99.99 H new ATOM 0 HG11 VAL C 27 -1.768 -2.747 12.061 1.00 99.99 H new ATOM 0 HG12 VAL C 27 -1.613 -3.914 10.726 1.00 99.99 H new ATOM 0 HG13 VAL C 27 -2.065 -2.227 10.386 1.00 99.99 H new ATOM 0 HG21 VAL C 27 -4.015 -1.892 12.738 1.00 99.99 H new ATOM 0 HG22 VAL C 27 -4.357 -1.375 11.070 1.00 99.99 H new ATOM 0 HG23 VAL C 27 -5.484 -2.465 11.912 1.00 99.99 H new ATOM 891 N VAL C 28 -3.522 -6.108 9.930 1.00 99.99 N ATOM 892 CA VAL C 28 -2.730 -7.274 9.558 1.00 99.99 C ATOM 893 C VAL C 28 -3.136 -7.733 8.166 1.00 99.99 C ATOM 894 O VAL C 28 -2.277 -8.031 7.374 1.00 99.99 O ATOM 895 CB VAL C 28 -2.952 -8.470 10.492 1.00 99.99 C ATOM 896 CG1 VAL C 28 -2.237 -9.732 9.966 1.00 99.99 C ATOM 897 CG2 VAL C 28 -2.447 -8.125 11.907 1.00 99.99 C ATOM 0 H VAL C 28 -4.203 -6.287 10.668 1.00 99.99 H new ATOM 0 HA VAL C 28 -1.686 -6.966 9.614 1.00 99.99 H new ATOM 0 HB VAL C 28 -4.021 -8.682 10.529 1.00 99.99 H new ATOM 0 HG11 VAL C 28 -2.414 -10.562 10.650 1.00 99.99 H new ATOM 0 HG12 VAL C 28 -2.625 -9.986 8.980 1.00 99.99 H new ATOM 0 HG13 VAL C 28 -1.166 -9.541 9.896 1.00 99.99 H new ATOM 0 HG21 VAL C 28 -2.606 -8.977 12.568 1.00 99.99 H new ATOM 0 HG22 VAL C 28 -1.383 -7.891 11.867 1.00 99.99 H new ATOM 0 HG23 VAL C 28 -2.994 -7.263 12.288 1.00 99.99 H new ATOM 907 N ALA C 29 -4.373 -7.782 7.926 1.00 99.99 N ATOM 908 CA ALA C 29 -4.904 -8.230 6.642 1.00 99.99 C ATOM 909 C ALA C 29 -4.409 -7.301 5.543 1.00 99.99 C ATOM 910 O ALA C 29 -4.047 -7.778 4.496 1.00 99.99 O ATOM 911 CB ALA C 29 -6.436 -8.192 6.584 1.00 99.99 C ATOM 0 H ALA C 29 -5.089 -7.516 8.602 1.00 99.99 H new ATOM 0 HA ALA C 29 -4.566 -9.258 6.512 1.00 99.99 H new ATOM 0 HB1 ALA C 29 -6.772 -8.536 5.606 1.00 99.99 H new ATOM 0 HB2 ALA C 29 -6.846 -8.842 7.357 1.00 99.99 H new ATOM 0 HB3 ALA C 29 -6.781 -7.171 6.748 1.00 99.99 H new ATOM 917 N ALA C 30 -4.417 -6.066 5.800 1.00 99.99 N ATOM 918 CA ALA C 30 -3.994 -5.065 4.829 1.00 99.99 C ATOM 919 C ALA C 30 -2.520 -5.259 4.511 1.00 99.99 C ATOM 920 O ALA C 30 -2.134 -5.064 3.385 1.00 99.99 O ATOM 921 CB ALA C 30 -4.136 -3.629 5.353 1.00 99.99 C ATOM 0 H ALA C 30 -4.716 -5.678 6.695 1.00 99.99 H new ATOM 0 HA ALA C 30 -4.635 -5.197 3.957 1.00 99.99 H new ATOM 0 HB1 ALA C 30 -3.806 -2.928 4.587 1.00 99.99 H new ATOM 0 HB2 ALA C 30 -5.180 -3.433 5.599 1.00 99.99 H new ATOM 0 HB3 ALA C 30 -3.523 -3.505 6.246 1.00 99.99 H new ATOM 927 N SER C 31 -1.781 -5.620 5.466 1.00 99.99 N ATOM 928 CA SER C 31 -0.344 -5.820 5.310 1.00 99.99 C ATOM 929 C SER C 31 -0.099 -6.916 4.283 1.00 99.99 C ATOM 930 O SER C 31 0.732 -6.743 3.427 1.00 99.99 O ATOM 931 CB SER C 31 0.341 -6.275 6.604 1.00 99.99 C ATOM 932 OG SER C 31 0.281 -5.253 7.596 1.00 99.99 O ATOM 0 H SER C 31 -2.125 -5.798 6.409 1.00 99.99 H new ATOM 0 HA SER C 31 0.068 -4.857 5.008 1.00 99.99 H new ATOM 0 HB2 SER C 31 -0.141 -7.179 6.977 1.00 99.99 H new ATOM 0 HB3 SER C 31 1.381 -6.529 6.400 1.00 99.99 H new ATOM 0 HG SER C 31 -0.651 -5.114 7.866 1.00 99.99 H new ATOM 938 N ILE C 32 -0.791 -7.965 4.402 1.00 99.99 N ATOM 939 CA ILE C 32 -0.641 -9.104 3.505 1.00 99.99 C ATOM 940 C ILE C 32 -1.049 -8.698 2.097 1.00 99.99 C ATOM 941 O ILE C 32 -0.428 -9.125 1.160 1.00 99.99 O ATOM 942 CB ILE C 32 -1.536 -10.290 3.891 1.00 99.99 C ATOM 943 CG1 ILE C 32 -1.099 -10.867 5.255 1.00 99.99 C ATOM 944 CG2 ILE C 32 -1.487 -11.391 2.811 1.00 99.99 C ATOM 945 CD1 ILE C 32 -2.143 -11.805 5.873 1.00 99.99 C ATOM 0 H ILE C 32 -1.499 -8.095 5.125 1.00 99.99 H new ATOM 0 HA ILE C 32 0.404 -9.406 3.569 1.00 99.99 H new ATOM 0 HB ILE C 32 -2.562 -9.930 3.969 1.00 99.99 H new ATOM 0 HG12 ILE C 32 -0.161 -11.408 5.130 1.00 99.99 H new ATOM 0 HG13 ILE C 32 -0.904 -10.046 5.945 1.00 99.99 H new ATOM 0 HG21 ILE C 32 -2.129 -12.220 3.108 1.00 99.99 H new ATOM 0 HG22 ILE C 32 -1.834 -10.985 1.861 1.00 99.99 H new ATOM 0 HG23 ILE C 32 -0.463 -11.747 2.700 1.00 99.99 H new ATOM 0 HD11 ILE C 32 -1.777 -12.177 6.830 1.00 99.99 H new ATOM 0 HD12 ILE C 32 -3.075 -11.261 6.028 1.00 99.99 H new ATOM 0 HD13 ILE C 32 -2.321 -12.645 5.201 1.00 99.99 H new ATOM 957 N ILE C 33 -2.041 -7.923 2.002 1.00 99.99 N ATOM 958 CA ILE C 33 -2.560 -7.473 0.715 1.00 99.99 C ATOM 959 C ILE C 33 -1.478 -6.694 -0.020 1.00 99.99 C ATOM 960 O ILE C 33 -1.277 -6.928 -1.184 1.00 99.99 O ATOM 961 CB ILE C 33 -3.757 -6.522 0.851 1.00 99.99 C ATOM 962 CG1 ILE C 33 -5.038 -7.369 1.054 1.00 99.99 C ATOM 963 CG2 ILE C 33 -3.901 -5.590 -0.365 1.00 99.99 C ATOM 964 CD1 ILE C 33 -6.248 -6.586 1.577 1.00 99.99 C ATOM 0 H ILE C 33 -2.549 -7.556 2.807 1.00 99.99 H new ATOM 0 HA ILE C 33 -2.873 -8.371 0.182 1.00 99.99 H new ATOM 0 HB ILE C 33 -3.595 -5.875 1.713 1.00 99.99 H new ATOM 0 HG12 ILE C 33 -5.305 -7.832 0.104 1.00 99.99 H new ATOM 0 HG13 ILE C 33 -4.816 -8.177 1.751 1.00 99.99 H new ATOM 0 HG21 ILE C 33 -4.761 -4.936 -0.222 1.00 99.99 H new ATOM 0 HG22 ILE C 33 -3.000 -4.986 -0.469 1.00 99.99 H new ATOM 0 HG23 ILE C 33 -4.044 -6.187 -1.266 1.00 99.99 H new ATOM 0 HD11 ILE C 33 -7.097 -7.260 1.688 1.00 99.99 H new ATOM 0 HD12 ILE C 33 -6.006 -6.145 2.544 1.00 99.99 H new ATOM 0 HD13 ILE C 33 -6.502 -5.795 0.871 1.00 99.99 H new ATOM 976 N GLY C 34 -0.847 -5.834 0.654 1.00 99.99 N ATOM 977 CA GLY C 34 0.200 -5.000 0.070 1.00 99.99 C ATOM 978 C GLY C 34 1.367 -5.878 -0.351 1.00 99.99 C ATOM 979 O GLY C 34 1.964 -5.611 -1.363 1.00 99.99 O ATOM 0 H GLY C 34 -1.017 -5.657 1.644 1.00 99.99 H new ATOM 0 HA2 GLY C 34 -0.190 -4.457 -0.791 1.00 99.99 H new ATOM 0 HA3 GLY C 34 0.533 -4.255 0.793 1.00 99.99 H new ATOM 983 N ILE C 35 1.333 -7.145 0.029 1.00 99.99 N ATOM 984 CA ILE C 35 2.379 -8.020 -0.495 1.00 99.99 C ATOM 985 C ILE C 35 1.862 -8.741 -1.730 1.00 99.99 C ATOM 986 O ILE C 35 2.563 -8.800 -2.708 1.00 99.99 O ATOM 987 CB ILE C 35 2.799 -9.110 0.499 1.00 99.99 C ATOM 988 CG1 ILE C 35 3.332 -8.471 1.806 1.00 99.99 C ATOM 989 CG2 ILE C 35 3.876 -10.013 -0.139 1.00 99.99 C ATOM 990 CD1 ILE C 35 3.487 -9.442 2.981 1.00 99.99 C ATOM 0 H ILE C 35 0.648 -7.572 0.652 1.00 99.99 H new ATOM 0 HA ILE C 35 3.235 -7.379 -0.708 1.00 99.99 H new ATOM 0 HB ILE C 35 1.929 -9.719 0.746 1.00 99.99 H new ATOM 0 HG12 ILE C 35 4.300 -8.013 1.601 1.00 99.99 H new ATOM 0 HG13 ILE C 35 2.657 -7.669 2.103 1.00 99.99 H new ATOM 0 HG21 ILE C 35 4.171 -10.785 0.571 1.00 99.99 H new ATOM 0 HG22 ILE C 35 3.473 -10.481 -1.037 1.00 99.99 H new ATOM 0 HG23 ILE C 35 4.746 -9.411 -0.402 1.00 99.99 H new ATOM 0 HD11 ILE C 35 3.865 -8.904 3.850 1.00 99.99 H new ATOM 0 HD12 ILE C 35 2.519 -9.882 3.220 1.00 99.99 H new ATOM 0 HD13 ILE C 35 4.188 -10.232 2.710 1.00 99.99 H new ATOM 1002 N LEU C 36 0.708 -9.243 -1.648 1.00 99.99 N ATOM 1003 CA LEU C 36 0.100 -9.986 -2.747 1.00 99.99 C ATOM 1004 C LEU C 36 -0.014 -9.079 -3.963 1.00 99.99 C ATOM 1005 O LEU C 36 0.275 -9.515 -5.048 1.00 99.99 O ATOM 1006 CB LEU C 36 -1.322 -10.465 -2.429 1.00 99.99 C ATOM 1007 CG LEU C 36 -2.071 -11.142 -3.596 1.00 99.99 C ATOM 1008 CD1 LEU C 36 -1.363 -12.431 -4.036 1.00 99.99 C ATOM 1009 CD2 LEU C 36 -3.533 -11.422 -3.224 1.00 99.99 C ATOM 0 H LEU C 36 0.118 -9.170 -0.819 1.00 99.99 H new ATOM 0 HA LEU C 36 0.739 -10.851 -2.923 1.00 99.99 H new ATOM 0 HB2 LEU C 36 -1.273 -11.166 -1.596 1.00 99.99 H new ATOM 0 HB3 LEU C 36 -1.908 -9.610 -2.091 1.00 99.99 H new ATOM 0 HG LEU C 36 -2.064 -10.451 -4.439 1.00 99.99 H new ATOM 0 HD11 LEU C 36 -1.914 -12.886 -4.859 1.00 99.99 H new ATOM 0 HD12 LEU C 36 -0.350 -12.196 -4.363 1.00 99.99 H new ATOM 0 HD13 LEU C 36 -1.322 -13.128 -3.199 1.00 99.99 H new ATOM 0 HD21 LEU C 36 -4.037 -11.899 -4.064 1.00 99.99 H new ATOM 0 HD22 LEU C 36 -3.568 -12.082 -2.357 1.00 99.99 H new ATOM 0 HD23 LEU C 36 -4.034 -10.484 -2.986 1.00 99.99 H new ATOM 1021 N HIS C 37 -0.458 -7.814 -3.783 1.00 99.99 N ATOM 1022 CA HIS C 37 -0.668 -6.854 -4.839 1.00 99.99 C ATOM 1023 C HIS C 37 0.633 -6.555 -5.534 1.00 99.99 C ATOM 1024 O HIS C 37 0.650 -6.211 -6.714 1.00 99.99 O ATOM 1025 CB HIS C 37 -1.261 -5.533 -4.292 1.00 99.99 C ATOM 1026 CG HIS C 37 -1.683 -4.555 -5.358 1.00 99.99 C ATOM 1027 ND1 HIS C 37 -1.914 -3.233 -5.093 1.00 99.99 N ATOM 1028 CD2 HIS C 37 -1.957 -4.751 -6.670 1.00 99.99 C ATOM 1029 CE1 HIS C 37 -2.306 -2.643 -6.214 1.00 99.99 C ATOM 1030 NE2 HIS C 37 -2.340 -3.544 -7.187 1.00 99.99 N ATOM 0 H HIS C 37 -0.681 -7.442 -2.860 1.00 99.99 H new ATOM 0 HA HIS C 37 -1.376 -7.291 -5.543 1.00 99.99 H new ATOM 0 HB2 HIS C 37 -2.123 -5.766 -3.668 1.00 99.99 H new ATOM 0 HB3 HIS C 37 -0.522 -5.055 -3.649 1.00 99.99 H new ATOM 0 HD2 HIS C 37 -1.886 -5.685 -7.207 1.00 99.99 H new ATOM 0 HE1 HIS C 37 -2.557 -1.598 -6.318 1.00 99.99 H new ATOM 0 HE2 HIS C 37 -2.606 -3.367 -8.156 1.00 99.99 H new ATOM 1038 N LEU C 38 1.762 -6.725 -4.805 1.00 99.99 N ATOM 1039 CA LEU C 38 3.099 -6.494 -5.338 1.00 99.99 C ATOM 1040 C LEU C 38 3.455 -7.612 -6.307 1.00 99.99 C ATOM 1041 O LEU C 38 3.972 -7.334 -7.359 1.00 99.99 O ATOM 1042 CB LEU C 38 4.185 -6.498 -4.254 1.00 99.99 C ATOM 1043 CG LEU C 38 5.613 -6.278 -4.811 1.00 99.99 C ATOM 1044 CD1 LEU C 38 5.735 -4.941 -5.554 1.00 99.99 C ATOM 1045 CD2 LEU C 38 6.679 -6.381 -3.720 1.00 99.99 C ATOM 0 H LEU C 38 1.756 -7.027 -3.831 1.00 99.99 H new ATOM 0 HA LEU C 38 3.072 -5.514 -5.814 1.00 99.99 H new ATOM 0 HB2 LEU C 38 3.963 -5.718 -3.526 1.00 99.99 H new ATOM 0 HB3 LEU C 38 4.153 -7.449 -3.722 1.00 99.99 H new ATOM 0 HG LEU C 38 5.790 -7.081 -5.526 1.00 99.99 H new ATOM 0 HD11 LEU C 38 6.752 -4.825 -5.929 1.00 99.99 H new ATOM 0 HD12 LEU C 38 5.036 -4.924 -6.390 1.00 99.99 H new ATOM 0 HD13 LEU C 38 5.504 -4.123 -4.871 1.00 99.99 H new ATOM 0 HD21 LEU C 38 7.664 -6.220 -4.158 1.00 99.99 H new ATOM 0 HD22 LEU C 38 6.493 -5.625 -2.957 1.00 99.99 H new ATOM 0 HD23 LEU C 38 6.641 -7.371 -3.267 1.00 99.99 H new ATOM 1057 N ILE C 39 3.185 -8.786 -5.936 1.00 99.99 N ATOM 1058 CA ILE C 39 3.496 -9.955 -6.751 1.00 99.99 C ATOM 1059 C ILE C 39 2.685 -9.899 -8.037 1.00 99.99 C ATOM 1060 O ILE C 39 3.225 -10.166 -9.082 1.00 99.99 O ATOM 1061 CB ILE C 39 3.129 -11.278 -6.065 1.00 99.99 C ATOM 1062 CG1 ILE C 39 4.041 -11.504 -4.839 1.00 99.99 C ATOM 1063 CG2 ILE C 39 3.260 -12.450 -7.060 1.00 99.99 C ATOM 1064 CD1 ILE C 39 3.635 -12.708 -3.979 1.00 99.99 C ATOM 0 H ILE C 39 2.734 -9.007 -5.048 1.00 99.99 H new ATOM 0 HA ILE C 39 4.572 -9.929 -6.926 1.00 99.99 H new ATOM 0 HB ILE C 39 2.094 -11.228 -5.728 1.00 99.99 H new ATOM 0 HG12 ILE C 39 5.066 -11.643 -5.181 1.00 99.99 H new ATOM 0 HG13 ILE C 39 4.031 -10.607 -4.220 1.00 99.99 H new ATOM 0 HG21 ILE C 39 2.997 -13.382 -6.561 1.00 99.99 H new ATOM 0 HG22 ILE C 39 2.589 -12.288 -7.903 1.00 99.99 H new ATOM 0 HG23 ILE C 39 4.287 -12.509 -7.420 1.00 99.99 H new ATOM 0 HD11 ILE C 39 4.322 -12.802 -3.138 1.00 99.99 H new ATOM 0 HD12 ILE C 39 2.621 -12.563 -3.606 1.00 99.99 H new ATOM 0 HD13 ILE C 39 3.673 -13.615 -4.582 1.00 99.99 H new ATOM 1076 N LEU C 40 1.472 -9.579 -7.927 1.00 99.99 N ATOM 1077 CA LEU C 40 0.572 -9.511 -9.072 1.00 99.99 C ATOM 1078 C LEU C 40 1.070 -8.450 -10.042 1.00 99.99 C ATOM 1079 O LEU C 40 1.086 -8.697 -11.222 1.00 99.99 O ATOM 1080 CB LEU C 40 -0.857 -9.108 -8.688 1.00 99.99 C ATOM 1081 CG LEU C 40 -1.663 -10.171 -7.909 1.00 99.99 C ATOM 1082 CD1 LEU C 40 -3.027 -9.586 -7.494 1.00 99.99 C ATOM 1083 CD2 LEU C 40 -1.869 -11.457 -8.719 1.00 99.99 C ATOM 0 H LEU C 40 1.030 -9.345 -7.038 1.00 99.99 H new ATOM 0 HA LEU C 40 0.558 -10.510 -9.507 1.00 99.99 H new ATOM 0 HB2 LEU C 40 -0.810 -8.200 -8.086 1.00 99.99 H new ATOM 0 HB3 LEU C 40 -1.402 -8.859 -9.598 1.00 99.99 H new ATOM 0 HG LEU C 40 -1.086 -10.437 -7.024 1.00 99.99 H new ATOM 0 HD11 LEU C 40 -3.593 -10.338 -6.945 1.00 99.99 H new ATOM 0 HD12 LEU C 40 -2.871 -8.714 -6.859 1.00 99.99 H new ATOM 0 HD13 LEU C 40 -3.583 -9.292 -8.384 1.00 99.99 H new ATOM 0 HD21 LEU C 40 -2.441 -12.172 -8.127 1.00 99.99 H new ATOM 0 HD22 LEU C 40 -2.413 -11.227 -9.635 1.00 99.99 H new ATOM 0 HD23 LEU C 40 -0.900 -11.887 -8.971 1.00 99.99 H new ATOM 1095 N TRP C 41 1.441 -7.354 -9.539 1.00 99.99 N ATOM 1096 CA TRP C 41 1.915 -6.241 -10.353 1.00 99.99 C ATOM 1097 C TRP C 41 3.244 -6.617 -10.990 1.00 99.99 C ATOM 1098 O TRP C 41 3.441 -6.337 -12.146 1.00 99.99 O ATOM 1099 CB TRP C 41 2.169 -4.968 -9.534 1.00 99.99 C ATOM 1100 CG TRP C 41 2.562 -3.764 -10.371 1.00 99.99 C ATOM 1101 CD1 TRP C 41 1.737 -2.974 -11.111 1.00 99.99 C ATOM 1102 CD2 TRP C 41 3.902 -3.306 -10.619 1.00 99.99 C ATOM 1103 NE1 TRP C 41 2.456 -2.000 -11.743 1.00 99.99 N ATOM 1104 CE2 TRP C 41 3.791 -2.207 -11.491 1.00 99.99 C ATOM 1105 CE3 TRP C 41 5.144 -3.750 -10.154 1.00 99.99 C ATOM 1106 CZ2 TRP C 41 4.919 -1.514 -11.905 1.00 99.99 C ATOM 1107 CZ3 TRP C 41 6.277 -3.057 -10.586 1.00 99.99 C ATOM 1108 CH2 TRP C 41 6.173 -1.952 -11.448 1.00 99.99 C ATOM 0 H TRP C 41 1.438 -7.164 -8.537 1.00 99.99 H new ATOM 0 HA TRP C 41 1.135 -6.043 -11.088 1.00 99.99 H new ATOM 0 HB2 TRP C 41 1.269 -4.726 -8.968 1.00 99.99 H new ATOM 0 HB3 TRP C 41 2.958 -5.166 -8.808 1.00 99.99 H new ATOM 0 HD1 TRP C 41 0.667 -3.099 -11.187 1.00 99.99 H new ATOM 0 HE1 TRP C 41 2.067 -1.245 -12.308 1.00 99.99 H new ATOM 0 HE3 TRP C 41 5.224 -4.596 -9.487 1.00 99.99 H new ATOM 0 HZ2 TRP C 41 4.835 -0.660 -12.561 1.00 99.99 H new ATOM 0 HZ3 TRP C 41 7.253 -3.377 -10.251 1.00 99.99 H new ATOM 0 HH2 TRP C 41 7.067 -1.434 -11.763 1.00 99.99 H new ATOM 1119 N ILE C 42 4.080 -7.202 -10.246 1.00 99.99 N ATOM 1120 CA ILE C 42 5.404 -7.595 -10.718 1.00 99.99 C ATOM 1121 C ILE C 42 5.259 -8.682 -11.773 1.00 99.99 C ATOM 1122 O ILE C 42 5.942 -8.629 -12.765 1.00 99.99 O ATOM 1123 CB ILE C 42 6.282 -8.185 -9.609 1.00 99.99 C ATOM 1124 CG1 ILE C 42 6.713 -7.073 -8.624 1.00 99.99 C ATOM 1125 CG2 ILE C 42 7.525 -8.883 -10.203 1.00 99.99 C ATOM 1126 CD1 ILE C 42 7.519 -7.592 -7.423 1.00 99.99 C ATOM 0 H ILE C 42 3.897 -7.442 -9.272 1.00 99.99 H new ATOM 0 HA ILE C 42 5.873 -6.690 -11.104 1.00 99.99 H new ATOM 0 HB ILE C 42 5.698 -8.931 -9.070 1.00 99.99 H new ATOM 0 HG12 ILE C 42 7.311 -6.336 -9.160 1.00 99.99 H new ATOM 0 HG13 ILE C 42 5.824 -6.558 -8.259 1.00 99.99 H new ATOM 0 HG21 ILE C 42 8.132 -9.293 -9.396 1.00 99.99 H new ATOM 0 HG22 ILE C 42 7.208 -9.689 -10.865 1.00 99.99 H new ATOM 0 HG23 ILE C 42 8.113 -8.160 -10.768 1.00 99.99 H new ATOM 0 HD11 ILE C 42 7.786 -6.757 -6.776 1.00 99.99 H new ATOM 0 HD12 ILE C 42 6.917 -8.307 -6.862 1.00 99.99 H new ATOM 0 HD13 ILE C 42 8.426 -8.081 -7.778 1.00 99.99 H new ATOM 1138 N LEU C 43 4.421 -9.594 -11.534 1.00 99.99 N ATOM 1139 CA LEU C 43 4.200 -10.709 -12.446 1.00 99.99 C ATOM 1140 C LEU C 43 3.629 -10.184 -13.755 1.00 99.99 C ATOM 1141 O LEU C 43 3.953 -10.713 -14.789 1.00 99.99 O ATOM 1142 CB LEU C 43 3.185 -11.727 -11.909 1.00 99.99 C ATOM 1143 CG LEU C 43 3.684 -12.545 -10.695 1.00 99.99 C ATOM 1144 CD1 LEU C 43 2.518 -13.332 -10.068 1.00 99.99 C ATOM 1145 CD2 LEU C 43 4.822 -13.505 -11.075 1.00 99.99 C ATOM 0 H LEU C 43 3.841 -9.621 -10.695 1.00 99.99 H new ATOM 0 HA LEU C 43 5.167 -11.197 -12.572 1.00 99.99 H new ATOM 0 HB2 LEU C 43 2.274 -11.200 -11.627 1.00 99.99 H new ATOM 0 HB3 LEU C 43 2.919 -12.415 -12.711 1.00 99.99 H new ATOM 0 HG LEU C 43 4.079 -11.837 -9.966 1.00 99.99 H new ATOM 0 HD11 LEU C 43 2.882 -13.904 -9.214 1.00 99.99 H new ATOM 0 HD12 LEU C 43 1.746 -12.637 -9.737 1.00 99.99 H new ATOM 0 HD13 LEU C 43 2.099 -14.013 -10.809 1.00 99.99 H new ATOM 0 HD21 LEU C 43 5.141 -14.059 -10.192 1.00 99.99 H new ATOM 0 HD22 LEU C 43 4.470 -14.204 -11.834 1.00 99.99 H new ATOM 0 HD23 LEU C 43 5.663 -12.934 -11.469 1.00 99.99 H new ATOM 1157 N ASP C 44 2.827 -9.214 -13.672 1.00 99.99 N ATOM 1158 CA ASP C 44 2.186 -8.630 -14.842 1.00 99.99 C ATOM 1159 C ASP C 44 3.241 -7.960 -15.713 1.00 99.99 C ATOM 1160 O ASP C 44 3.167 -8.069 -16.912 1.00 99.99 O ATOM 1161 CB ASP C 44 1.165 -7.540 -14.485 1.00 99.99 C ATOM 1162 CG ASP C 44 0.430 -6.993 -15.724 1.00 99.99 C ATOM 1163 OD1 ASP C 44 -0.342 -7.761 -16.345 1.00 99.99 O ATOM 1164 OD2 ASP C 44 0.586 -5.778 -16.048 1.00 99.99 O ATOM 0 H ASP C 44 2.569 -8.769 -12.791 1.00 99.99 H new ATOM 0 HA ASP C 44 1.675 -9.448 -15.349 1.00 99.99 H new ATOM 0 HB2 ASP C 44 0.436 -7.945 -13.783 1.00 99.99 H new ATOM 0 HB3 ASP C 44 1.675 -6.721 -13.978 1.00 99.99 H new ATOM 1169 N ARG C 45 4.141 -7.313 -15.113 1.00 99.99 N ATOM 1170 CA ARG C 45 5.200 -6.603 -15.822 1.00 99.99 C ATOM 1171 C ARG C 45 6.060 -7.604 -16.579 1.00 99.99 C ATOM 1172 O ARG C 45 6.402 -7.346 -17.705 1.00 99.99 O ATOM 1173 CB ARG C 45 6.146 -5.846 -14.880 1.00 99.99 C ATOM 1174 CG ARG C 45 5.466 -4.694 -14.111 1.00 99.99 C ATOM 1175 CD ARG C 45 5.210 -3.457 -14.982 1.00 99.99 C ATOM 1176 NE ARG C 45 3.816 -3.546 -15.546 1.00 99.99 N ATOM 1177 CZ ARG C 45 3.466 -2.866 -16.654 1.00 99.99 C ATOM 1178 NH1 ARG C 45 4.335 -2.060 -17.290 1.00 99.99 N ATOM 1179 NH2 ARG C 45 2.205 -2.983 -17.101 1.00 99.99 N ATOM 0 H ARG C 45 4.198 -7.237 -14.097 1.00 99.99 H new ATOM 0 HA ARG C 45 4.702 -5.891 -16.480 1.00 99.99 H new ATOM 0 HB2 ARG C 45 6.570 -6.549 -14.163 1.00 99.99 H new ATOM 0 HB3 ARG C 45 6.976 -5.443 -15.460 1.00 99.99 H new ATOM 0 HG2 ARG C 45 4.518 -5.047 -13.704 1.00 99.99 H new ATOM 0 HG3 ARG C 45 6.091 -4.412 -13.264 1.00 99.99 H new ATOM 0 HD2 ARG C 45 5.321 -2.548 -14.390 1.00 99.99 H new ATOM 0 HD3 ARG C 45 5.942 -3.404 -15.788 1.00 99.99 H new ATOM 0 HE ARG C 45 3.124 -4.133 -15.080 1.00 99.99 H new ATOM 0 HH11 ARG C 45 5.285 -1.953 -16.935 1.00 99.99 H new ATOM 0 HH12 ARG C 45 4.044 -1.556 -18.128 1.00 99.99 H new ATOM 0 HH21 ARG C 45 1.540 -3.576 -16.603 1.00 99.99 H new ATOM 0 HH22 ARG C 45 1.912 -2.479 -17.938 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 6.461 -10.346 -17.711 1.00 99.99 C ATOM 1196 O LEU C 46 5.456 -11.026 -17.509 1.00 99.99 O ATOM 1197 CB LEU C 46 7.560 -10.818 -15.577 1.00 99.99 C ATOM 1198 CG LEU C 46 8.325 -10.426 -14.289 1.00 99.99 C ATOM 1199 CD1 LEU C 46 8.355 -11.648 -13.351 1.00 99.99 C ATOM 1200 CD2 LEU C 46 9.750 -9.930 -14.556 1.00 99.99 C ATOM 0 H LEU C 46 6.062 -8.870 -15.014 1.00 99.99 H new ATOM 0 HA LEU C 46 8.125 -9.196 -16.878 1.00 99.99 H new ATOM 0 HB2 LEU C 46 6.633 -11.309 -15.282 1.00 99.99 H new ATOM 0 HB3 LEU C 46 8.156 -11.558 -16.111 1.00 99.99 H new ATOM 0 HG LEU C 46 7.798 -9.590 -13.829 1.00 99.99 H new ATOM 0 HD11 LEU C 46 8.890 -11.392 -12.437 1.00 99.99 H new ATOM 0 HD12 LEU C 46 7.335 -11.942 -13.104 1.00 99.99 H new ATOM 0 HD13 LEU C 46 8.861 -12.476 -13.848 1.00 99.99 H new ATOM 0 HD21 LEU C 46 10.229 -9.673 -13.611 1.00 99.99 H new ATOM 0 HD22 LEU C 46 10.322 -10.715 -15.050 1.00 99.99 H new ATOM 0 HD23 LEU C 46 9.715 -9.049 -15.197 1.00 99.99 H new ATOM 1213 N SER D 22 10.411 -0.601 18.985 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 7.870 -1.454 18.470 1.00 99.99 O ATOM 1217 CB SER D 22 11.011 -2.514 17.455 1.00 99.99 C ATOM 1218 OG SER D 22 10.781 -3.542 18.416 1.00 99.99 O ATOM 0 HA SER D 22 10.357 -0.528 16.898 1.00 99.99 H new ATOM 0 HB2 SER D 22 10.827 -2.911 16.457 1.00 99.99 H new ATOM 0 HB3 SER D 22 12.059 -2.218 17.493 1.00 99.99 H new ATOM 0 HG SER D 22 11.367 -4.304 18.226 1.00 99.99 H new ATOM 1223 N SER D 23 8.271 -2.062 16.321 1.00 99.99 N ATOM 1224 CA SER D 23 6.941 -2.538 16.026 1.00 99.99 C ATOM 1225 C SER D 23 7.112 -3.962 15.561 1.00 99.99 C ATOM 1226 O SER D 23 8.175 -4.555 15.744 1.00 99.99 O ATOM 1227 CB SER D 23 6.224 -1.684 14.952 1.00 99.99 C ATOM 1228 OG SER D 23 6.045 -0.354 15.421 1.00 99.99 O ATOM 0 H SER D 23 8.903 -2.111 15.522 1.00 99.99 H new ATOM 0 HA SER D 23 6.307 -2.468 16.910 1.00 99.99 H new ATOM 0 HB2 SER D 23 6.809 -1.677 14.032 1.00 99.99 H new ATOM 0 HB3 SER D 23 5.257 -2.126 14.712 1.00 99.99 H new ATOM 0 HG SER D 23 5.592 0.177 14.733 1.00 99.99 H new ATOM 1234 N ASP D 24 6.046 -4.562 14.971 1.00 99.99 N ATOM 1235 CA ASP D 24 6.008 -5.966 14.604 1.00 99.99 C ATOM 1236 C ASP D 24 6.572 -6.115 13.208 1.00 99.99 C ATOM 1237 O ASP D 24 6.451 -5.173 12.432 1.00 99.99 O ATOM 1238 CB ASP D 24 4.561 -6.534 14.610 1.00 99.99 C ATOM 1239 CG ASP D 24 3.937 -6.470 16.008 1.00 99.99 C ATOM 1240 OD1 ASP D 24 4.692 -6.385 17.015 1.00 99.99 O ATOM 1241 OD2 ASP D 24 2.680 -6.517 16.084 1.00 99.99 O ATOM 0 H ASP D 24 5.187 -4.061 14.742 1.00 99.99 H new ATOM 0 HA ASP D 24 6.594 -6.520 15.337 1.00 99.99 H new ATOM 0 HB2 ASP D 24 3.945 -5.970 13.910 1.00 99.99 H new ATOM 0 HB3 ASP D 24 4.573 -7.567 14.263 1.00 99.99 H new ATOM 1246 N PRO D 25 7.208 -7.222 12.818 1.00 99.99 N ATOM 1247 CA PRO D 25 8.056 -7.267 11.636 1.00 99.99 C ATOM 1248 C PRO D 25 7.268 -7.285 10.346 1.00 99.99 C ATOM 1249 O PRO D 25 7.830 -6.871 9.344 1.00 99.99 O ATOM 1250 CB PRO D 25 8.877 -8.558 11.794 1.00 99.99 C ATOM 1251 CG PRO D 25 8.031 -9.434 12.721 1.00 99.99 C ATOM 1252 CD PRO D 25 7.391 -8.408 13.653 1.00 99.99 C ATOM 0 HA PRO D 25 8.677 -6.374 11.569 1.00 99.99 H new ATOM 0 HB2 PRO D 25 9.045 -9.043 10.832 1.00 99.99 H new ATOM 0 HB3 PRO D 25 9.858 -8.355 12.224 1.00 99.99 H new ATOM 0 HG2 PRO D 25 7.283 -10.004 12.170 1.00 99.99 H new ATOM 0 HG3 PRO D 25 8.641 -10.154 13.267 1.00 99.99 H new ATOM 0 HD2 PRO D 25 6.440 -8.767 14.046 1.00 99.99 H new ATOM 0 HD3 PRO D 25 8.031 -8.196 14.510 1.00 99.99 H new ATOM 1260 N LEU D 26 6.002 -7.762 10.351 1.00 99.99 N ATOM 1261 CA LEU D 26 5.044 -7.754 9.253 1.00 99.99 C ATOM 1262 C LEU D 26 4.593 -6.326 8.987 1.00 99.99 C ATOM 1263 O LEU D 26 4.514 -5.939 7.849 1.00 99.99 O ATOM 1264 CB LEU D 26 3.774 -8.559 9.561 1.00 99.99 C ATOM 1265 CG LEU D 26 2.615 -8.424 8.547 1.00 99.99 C ATOM 1266 CD1 LEU D 26 2.974 -8.968 7.162 1.00 99.99 C ATOM 1267 CD2 LEU D 26 1.353 -9.111 9.088 1.00 99.99 C ATOM 0 H LEU D 26 5.608 -8.190 11.189 1.00 99.99 H new ATOM 0 HA LEU D 26 5.555 -8.201 8.400 1.00 99.99 H new ATOM 0 HB2 LEU D 26 4.045 -9.612 9.632 1.00 99.99 H new ATOM 0 HB3 LEU D 26 3.407 -8.257 10.542 1.00 99.99 H new ATOM 0 HG LEU D 26 2.421 -7.359 8.423 1.00 99.99 H new ATOM 0 HD11 LEU D 26 2.123 -8.847 6.492 1.00 99.99 H new ATOM 0 HD12 LEU D 26 3.829 -8.420 6.766 1.00 99.99 H new ATOM 0 HD13 LEU D 26 3.226 -10.025 7.241 1.00 99.99 H new ATOM 0 HD21 LEU D 26 0.544 -9.009 8.364 1.00 99.99 H new ATOM 0 HD22 LEU D 26 1.558 -10.168 9.256 1.00 99.99 H new ATOM 0 HD23 LEU D 26 1.060 -8.644 10.028 1.00 99.99 H new ATOM 1279 N VAL D 27 4.317 -5.625 10.001 1.00 99.99 N ATOM 1280 CA VAL D 27 3.850 -4.247 9.893 1.00 99.99 C ATOM 1281 C VAL D 27 4.982 -3.369 9.381 1.00 99.99 C ATOM 1282 O VAL D 27 4.757 -2.579 8.499 1.00 99.99 O ATOM 1283 CB VAL D 27 3.419 -3.656 11.242 1.00 99.99 C ATOM 1284 CG1 VAL D 27 3.050 -2.167 11.093 1.00 99.99 C ATOM 1285 CG2 VAL D 27 2.198 -4.435 11.780 1.00 99.99 C ATOM 0 H VAL D 27 4.398 -5.963 10.960 1.00 99.99 H new ATOM 0 HA VAL D 27 2.994 -4.266 9.219 1.00 99.99 H new ATOM 0 HB VAL D 27 4.252 -3.741 11.940 1.00 99.99 H new ATOM 0 HG11 VAL D 27 2.747 -1.768 12.061 1.00 99.99 H new ATOM 0 HG12 VAL D 27 3.914 -1.613 10.726 1.00 99.99 H new ATOM 0 HG13 VAL D 27 2.227 -2.065 10.386 1.00 99.99 H new ATOM 0 HG21 VAL D 27 1.892 -4.015 12.738 1.00 99.99 H new ATOM 0 HG22 VAL D 27 1.375 -4.357 11.070 1.00 99.99 H new ATOM 0 HG23 VAL D 27 2.465 -5.484 11.912 1.00 99.99 H new ATOM 1295 N VAL D 28 6.108 -3.522 9.930 1.00 99.99 N ATOM 1296 CA VAL D 28 7.274 -2.730 9.558 1.00 99.99 C ATOM 1297 C VAL D 28 7.733 -3.136 8.166 1.00 99.99 C ATOM 1298 O VAL D 28 8.031 -2.277 7.374 1.00 99.99 O ATOM 1299 CB VAL D 28 8.470 -2.952 10.492 1.00 99.99 C ATOM 1300 CG1 VAL D 28 9.732 -2.237 9.966 1.00 99.99 C ATOM 1301 CG2 VAL D 28 8.125 -2.447 11.907 1.00 99.99 C ATOM 0 H VAL D 28 6.287 -4.203 10.668 1.00 99.99 H new ATOM 0 HA VAL D 28 6.966 -1.686 9.614 1.00 99.99 H new ATOM 0 HB VAL D 28 8.682 -4.021 10.529 1.00 99.99 H new ATOM 0 HG11 VAL D 28 10.562 -2.414 10.650 1.00 99.99 H new ATOM 0 HG12 VAL D 28 9.986 -2.625 8.980 1.00 99.99 H new ATOM 0 HG13 VAL D 28 9.541 -1.166 9.896 1.00 99.99 H new ATOM 0 HG21 VAL D 28 8.977 -2.606 12.568 1.00 99.99 H new ATOM 0 HG22 VAL D 28 7.891 -1.383 11.867 1.00 99.99 H new ATOM 0 HG23 VAL D 28 7.263 -2.994 12.288 1.00 99.99 H new ATOM 1311 N ALA D 29 7.782 -4.373 7.926 1.00 99.99 N ATOM 1312 CA ALA D 29 8.230 -4.904 6.642 1.00 99.99 C ATOM 1313 C ALA D 29 7.301 -4.409 5.543 1.00 99.99 C ATOM 1314 O ALA D 29 7.778 -4.047 4.496 1.00 99.99 O ATOM 1315 CB ALA D 29 8.192 -6.436 6.584 1.00 99.99 C ATOM 0 H ALA D 29 7.516 -5.089 8.602 1.00 99.99 H new ATOM 0 HA ALA D 29 9.258 -4.566 6.512 1.00 99.99 H new ATOM 0 HB1 ALA D 29 8.536 -6.772 5.606 1.00 99.99 H new ATOM 0 HB2 ALA D 29 8.842 -6.846 7.357 1.00 99.99 H new ATOM 0 HB3 ALA D 29 7.171 -6.781 6.748 1.00 99.99 H new ATOM 1321 N ALA D 30 6.066 -4.417 5.800 1.00 99.99 N ATOM 1322 CA ALA D 30 5.065 -3.994 4.829 1.00 99.99 C ATOM 1323 C ALA D 30 5.259 -2.520 4.511 1.00 99.99 C ATOM 1324 O ALA D 30 5.064 -2.134 3.385 1.00 99.99 O ATOM 1325 CB ALA D 30 3.629 -4.136 5.353 1.00 99.99 C ATOM 0 H ALA D 30 5.678 -4.716 6.695 1.00 99.99 H new ATOM 0 HA ALA D 30 5.197 -4.635 3.957 1.00 99.99 H new ATOM 0 HB1 ALA D 30 2.928 -3.806 4.587 1.00 99.99 H new ATOM 0 HB2 ALA D 30 3.433 -5.180 5.599 1.00 99.99 H new ATOM 0 HB3 ALA D 30 3.505 -3.523 6.246 1.00 99.99 H new ATOM 1331 N SER D 31 5.620 -1.781 5.466 1.00 99.99 N ATOM 1332 CA SER D 31 5.820 -0.344 5.310 1.00 99.99 C ATOM 1333 C SER D 31 6.916 -0.099 4.283 1.00 99.99 C ATOM 1334 O SER D 31 6.743 0.732 3.427 1.00 99.99 O ATOM 1335 CB SER D 31 6.275 0.341 6.604 1.00 99.99 C ATOM 1336 OG SER D 31 5.253 0.281 7.596 1.00 99.99 O ATOM 0 H SER D 31 5.798 -2.125 6.409 1.00 99.99 H new ATOM 0 HA SER D 31 4.857 0.068 5.008 1.00 99.99 H new ATOM 0 HB2 SER D 31 7.179 -0.141 6.977 1.00 99.99 H new ATOM 0 HB3 SER D 31 6.529 1.381 6.400 1.00 99.99 H new ATOM 0 HG SER D 31 5.125 -0.649 7.878 1.00 99.99 H new ATOM 1342 N ILE D 32 7.965 -0.791 4.402 1.00 99.99 N ATOM 1343 CA ILE D 32 9.104 -0.641 3.505 1.00 99.99 C ATOM 1344 C ILE D 32 8.698 -1.049 2.097 1.00 99.99 C ATOM 1345 O ILE D 32 9.125 -0.428 1.160 1.00 99.99 O ATOM 1346 CB ILE D 32 10.290 -1.536 3.891 1.00 99.99 C ATOM 1347 CG1 ILE D 32 10.867 -1.099 5.255 1.00 99.99 C ATOM 1348 CG2 ILE D 32 11.391 -1.487 2.811 1.00 99.99 C ATOM 1349 CD1 ILE D 32 11.805 -2.143 5.873 1.00 99.99 C ATOM 0 H ILE D 32 8.095 -1.499 5.125 1.00 99.99 H new ATOM 0 HA ILE D 32 9.406 0.404 3.569 1.00 99.99 H new ATOM 0 HB ILE D 32 9.930 -2.562 3.969 1.00 99.99 H new ATOM 0 HG12 ILE D 32 11.408 -0.161 5.130 1.00 99.99 H new ATOM 0 HG13 ILE D 32 10.046 -0.904 5.945 1.00 99.99 H new ATOM 0 HG21 ILE D 32 12.220 -2.129 3.108 1.00 99.99 H new ATOM 0 HG22 ILE D 32 10.985 -1.834 1.861 1.00 99.99 H new ATOM 0 HG23 ILE D 32 11.747 -0.463 2.700 1.00 99.99 H new ATOM 0 HD11 ILE D 32 12.177 -1.777 6.830 1.00 99.99 H new ATOM 0 HD12 ILE D 32 11.261 -3.075 6.028 1.00 99.99 H new ATOM 0 HD13 ILE D 32 12.645 -2.321 5.201 1.00 99.99 H new ATOM 1361 N ILE D 33 7.923 -2.041 2.002 1.00 99.99 N ATOM 1362 CA ILE D 33 7.473 -2.560 0.715 1.00 99.99 C ATOM 1363 C ILE D 33 6.694 -1.478 -0.020 1.00 99.99 C ATOM 1364 O ILE D 33 6.928 -1.277 -1.184 1.00 99.99 O ATOM 1365 CB ILE D 33 6.522 -3.757 0.851 1.00 99.99 C ATOM 1366 CG1 ILE D 33 7.369 -5.038 1.054 1.00 99.99 C ATOM 1367 CG2 ILE D 33 5.590 -3.901 -0.365 1.00 99.99 C ATOM 1368 CD1 ILE D 33 6.586 -6.248 1.577 1.00 99.99 C ATOM 0 H ILE D 33 7.556 -2.549 2.807 1.00 99.99 H new ATOM 0 HA ILE D 33 8.371 -2.873 0.182 1.00 99.99 H new ATOM 0 HB ILE D 33 5.875 -3.595 1.713 1.00 99.99 H new ATOM 0 HG12 ILE D 33 7.832 -5.305 0.104 1.00 99.99 H new ATOM 0 HG13 ILE D 33 8.177 -4.816 1.751 1.00 99.99 H new ATOM 0 HG21 ILE D 33 4.936 -4.761 -0.222 1.00 99.99 H new ATOM 0 HG22 ILE D 33 4.986 -3.000 -0.469 1.00 99.99 H new ATOM 0 HG23 ILE D 33 6.187 -4.044 -1.266 1.00 99.99 H new ATOM 0 HD11 ILE D 33 7.260 -7.097 1.688 1.00 99.99 H new ATOM 0 HD12 ILE D 33 6.145 -6.006 2.544 1.00 99.99 H new ATOM 0 HD13 ILE D 33 5.795 -6.502 0.871 1.00 99.99 H new ATOM 1380 N GLY D 34 5.834 -0.847 0.654 1.00 99.99 N ATOM 1381 CA GLY D 34 5.000 0.200 0.070 1.00 99.99 C ATOM 1382 C GLY D 34 5.878 1.367 -0.351 1.00 99.99 C ATOM 1383 O GLY D 34 5.611 1.964 -1.363 1.00 99.99 O ATOM 0 H GLY D 34 5.657 -1.017 1.644 1.00 99.99 H new ATOM 0 HA2 GLY D 34 4.457 -0.190 -0.791 1.00 99.99 H new ATOM 0 HA3 GLY D 34 4.255 0.533 0.793 1.00 99.99 H new ATOM 1387 N ILE D 35 7.145 1.333 0.029 1.00 99.99 N ATOM 1388 CA ILE D 35 8.020 2.379 -0.495 1.00 99.99 C ATOM 1389 C ILE D 35 8.741 1.862 -1.730 1.00 99.99 C ATOM 1390 O ILE D 35 8.800 2.563 -2.708 1.00 99.99 O ATOM 1391 CB ILE D 35 9.110 2.799 0.499 1.00 99.99 C ATOM 1392 CG1 ILE D 35 8.471 3.332 1.806 1.00 99.99 C ATOM 1393 CG2 ILE D 35 10.013 3.876 -0.139 1.00 99.99 C ATOM 1394 CD1 ILE D 35 9.442 3.487 2.981 1.00 99.99 C ATOM 0 H ILE D 35 7.572 0.648 0.652 1.00 99.99 H new ATOM 0 HA ILE D 35 7.379 3.235 -0.708 1.00 99.99 H new ATOM 0 HB ILE D 35 9.719 1.929 0.746 1.00 99.99 H new ATOM 0 HG12 ILE D 35 8.013 4.300 1.601 1.00 99.99 H new ATOM 0 HG13 ILE D 35 7.669 2.657 2.103 1.00 99.99 H new ATOM 0 HG21 ILE D 35 10.785 4.171 0.571 1.00 99.99 H new ATOM 0 HG22 ILE D 35 10.481 3.473 -1.037 1.00 99.99 H new ATOM 0 HG23 ILE D 35 9.411 4.746 -0.402 1.00 99.99 H new ATOM 0 HD11 ILE D 35 8.904 3.865 3.850 1.00 99.99 H new ATOM 0 HD12 ILE D 35 9.882 2.519 3.220 1.00 99.99 H new ATOM 0 HD13 ILE D 35 10.232 4.188 2.710 1.00 99.99 H new ATOM 1406 N LEU D 36 9.243 0.708 -1.648 1.00 99.99 N ATOM 1407 CA LEU D 36 9.986 0.100 -2.747 1.00 99.99 C ATOM 1408 C LEU D 36 9.079 -0.014 -3.963 1.00 99.99 C ATOM 1409 O LEU D 36 9.515 0.275 -5.048 1.00 99.99 O ATOM 1410 CB LEU D 36 10.465 -1.322 -2.429 1.00 99.99 C ATOM 1411 CG LEU D 36 11.142 -2.071 -3.596 1.00 99.99 C ATOM 1412 CD1 LEU D 36 12.431 -1.363 -4.036 1.00 99.99 C ATOM 1413 CD2 LEU D 36 11.422 -3.533 -3.224 1.00 99.99 C ATOM 0 H LEU D 36 9.170 0.118 -0.819 1.00 99.99 H new ATOM 0 HA LEU D 36 10.851 0.739 -2.923 1.00 99.99 H new ATOM 0 HB2 LEU D 36 11.166 -1.273 -1.596 1.00 99.99 H new ATOM 0 HB3 LEU D 36 9.610 -1.908 -2.091 1.00 99.99 H new ATOM 0 HG LEU D 36 10.451 -2.064 -4.439 1.00 99.99 H new ATOM 0 HD11 LEU D 36 12.886 -1.914 -4.859 1.00 99.99 H new ATOM 0 HD12 LEU D 36 12.196 -0.350 -4.363 1.00 99.99 H new ATOM 0 HD13 LEU D 36 13.128 -1.322 -3.199 1.00 99.99 H new ATOM 0 HD21 LEU D 36 11.899 -4.037 -4.064 1.00 99.99 H new ATOM 0 HD22 LEU D 36 12.082 -3.568 -2.357 1.00 99.99 H new ATOM 0 HD23 LEU D 36 10.484 -4.034 -2.986 1.00 99.99 H new ATOM 1425 N HIS D 37 7.814 -0.458 -3.783 1.00 99.99 N ATOM 1426 CA HIS D 37 6.854 -0.668 -4.839 1.00 99.99 C ATOM 1427 C HIS D 37 6.555 0.633 -5.534 1.00 99.99 C ATOM 1428 O HIS D 37 6.211 0.650 -6.714 1.00 99.99 O ATOM 1429 CB HIS D 37 5.533 -1.261 -4.292 1.00 99.99 C ATOM 1430 CG HIS D 37 4.555 -1.683 -5.358 1.00 99.99 C ATOM 1431 ND1 HIS D 37 3.233 -1.914 -5.093 1.00 99.99 N ATOM 1432 CD2 HIS D 37 4.751 -1.957 -6.670 1.00 99.99 C ATOM 1433 CE1 HIS D 37 2.643 -2.306 -6.214 1.00 99.99 C ATOM 1434 NE2 HIS D 37 3.544 -2.340 -7.187 1.00 99.99 N ATOM 0 H HIS D 37 7.442 -0.681 -2.860 1.00 99.99 H new ATOM 0 HA HIS D 37 7.291 -1.376 -5.543 1.00 99.99 H new ATOM 0 HB2 HIS D 37 5.766 -2.123 -3.668 1.00 99.99 H new ATOM 0 HB3 HIS D 37 5.055 -0.522 -3.649 1.00 99.99 H new ATOM 0 HD2 HIS D 37 5.685 -1.886 -7.207 1.00 99.99 H new ATOM 0 HE1 HIS D 37 1.598 -2.557 -6.318 1.00 99.99 H new ATOM 0 HE2 HIS D 37 3.367 -2.606 -8.156 1.00 99.99 H new ATOM 1442 N LEU D 38 6.725 1.762 -4.805 1.00 99.99 N ATOM 1443 CA LEU D 38 6.494 3.099 -5.338 1.00 99.99 C ATOM 1444 C LEU D 38 7.612 3.455 -6.307 1.00 99.99 C ATOM 1445 O LEU D 38 7.334 3.972 -7.359 1.00 99.99 O ATOM 1446 CB LEU D 38 6.498 4.185 -4.254 1.00 99.99 C ATOM 1447 CG LEU D 38 6.278 5.613 -4.811 1.00 99.99 C ATOM 1448 CD1 LEU D 38 4.941 5.735 -5.554 1.00 99.99 C ATOM 1449 CD2 LEU D 38 6.381 6.679 -3.720 1.00 99.99 C ATOM 0 H LEU D 38 7.027 1.756 -3.831 1.00 99.99 H new ATOM 0 HA LEU D 38 5.514 3.072 -5.814 1.00 99.99 H new ATOM 0 HB2 LEU D 38 5.718 3.963 -3.526 1.00 99.99 H new ATOM 0 HB3 LEU D 38 7.449 4.153 -3.722 1.00 99.99 H new ATOM 0 HG LEU D 38 7.081 5.790 -5.526 1.00 99.99 H new ATOM 0 HD11 LEU D 38 4.825 6.752 -5.929 1.00 99.99 H new ATOM 0 HD12 LEU D 38 4.924 5.036 -6.390 1.00 99.99 H new ATOM 0 HD13 LEU D 38 4.123 5.504 -4.871 1.00 99.99 H new ATOM 0 HD21 LEU D 38 6.220 7.664 -4.158 1.00 99.99 H new ATOM 0 HD22 LEU D 38 5.625 6.493 -2.957 1.00 99.99 H new ATOM 0 HD23 LEU D 38 7.371 6.641 -3.267 1.00 99.99 H new ATOM 1461 N ILE D 39 8.786 3.185 -5.936 1.00 99.99 N ATOM 1462 CA ILE D 39 9.955 3.496 -6.751 1.00 99.99 C ATOM 1463 C ILE D 39 9.899 2.685 -8.037 1.00 99.99 C ATOM 1464 O ILE D 39 10.166 3.225 -9.082 1.00 99.99 O ATOM 1465 CB ILE D 39 11.278 3.129 -6.065 1.00 99.99 C ATOM 1466 CG1 ILE D 39 11.504 4.041 -4.839 1.00 99.99 C ATOM 1467 CG2 ILE D 39 12.450 3.260 -7.060 1.00 99.99 C ATOM 1468 CD1 ILE D 39 12.708 3.635 -3.979 1.00 99.99 C ATOM 0 H ILE D 39 9.007 2.734 -5.048 1.00 99.99 H new ATOM 0 HA ILE D 39 9.929 4.572 -6.926 1.00 99.99 H new ATOM 0 HB ILE D 39 11.228 2.094 -5.728 1.00 99.99 H new ATOM 0 HG12 ILE D 39 11.643 5.066 -5.181 1.00 99.99 H new ATOM 0 HG13 ILE D 39 10.607 4.031 -4.220 1.00 99.99 H new ATOM 0 HG21 ILE D 39 13.382 2.997 -6.561 1.00 99.99 H new ATOM 0 HG22 ILE D 39 12.288 2.589 -7.903 1.00 99.99 H new ATOM 0 HG23 ILE D 39 12.509 4.287 -7.420 1.00 99.99 H new ATOM 0 HD11 ILE D 39 12.802 4.322 -3.138 1.00 99.99 H new ATOM 0 HD12 ILE D 39 12.563 2.621 -3.606 1.00 99.99 H new ATOM 0 HD13 ILE D 39 13.615 3.673 -4.582 1.00 99.99 H new ATOM 1480 N LEU D 40 9.579 1.472 -7.927 1.00 99.99 N ATOM 1481 CA LEU D 40 9.511 0.572 -9.072 1.00 99.99 C ATOM 1482 C LEU D 40 8.450 1.070 -10.042 1.00 99.99 C ATOM 1483 O LEU D 40 8.697 1.086 -11.222 1.00 99.99 O ATOM 1484 CB LEU D 40 9.108 -0.857 -8.688 1.00 99.99 C ATOM 1485 CG LEU D 40 10.171 -1.663 -7.909 1.00 99.99 C ATOM 1486 CD1 LEU D 40 9.586 -3.027 -7.494 1.00 99.99 C ATOM 1487 CD2 LEU D 40 11.457 -1.869 -8.719 1.00 99.99 C ATOM 0 H LEU D 40 9.345 1.030 -7.038 1.00 99.99 H new ATOM 0 HA LEU D 40 10.510 0.558 -9.507 1.00 99.99 H new ATOM 0 HB2 LEU D 40 8.200 -0.810 -8.086 1.00 99.99 H new ATOM 0 HB3 LEU D 40 8.859 -1.402 -9.598 1.00 99.99 H new ATOM 0 HG LEU D 40 10.437 -1.086 -7.024 1.00 99.99 H new ATOM 0 HD11 LEU D 40 10.338 -3.593 -6.945 1.00 99.99 H new ATOM 0 HD12 LEU D 40 8.714 -2.871 -6.859 1.00 99.99 H new ATOM 0 HD13 LEU D 40 9.292 -3.583 -8.384 1.00 99.99 H new ATOM 0 HD21 LEU D 40 12.172 -2.441 -8.127 1.00 99.99 H new ATOM 0 HD22 LEU D 40 11.227 -2.413 -9.635 1.00 99.99 H new ATOM 0 HD23 LEU D 40 11.887 -0.900 -8.971 1.00 99.99 H new ATOM 1499 N TRP D 41 7.354 1.441 -9.539 1.00 99.99 N ATOM 1500 CA TRP D 41 6.241 1.915 -10.353 1.00 99.99 C ATOM 1501 C TRP D 41 6.617 3.244 -10.990 1.00 99.99 C ATOM 1502 O TRP D 41 6.337 3.441 -12.146 1.00 99.99 O ATOM 1503 CB TRP D 41 4.968 2.169 -9.534 1.00 99.99 C ATOM 1504 CG TRP D 41 3.764 2.562 -10.371 1.00 99.99 C ATOM 1505 CD1 TRP D 41 2.974 1.737 -11.111 1.00 99.99 C ATOM 1506 CD2 TRP D 41 3.306 3.902 -10.619 1.00 99.99 C ATOM 1507 NE1 TRP D 41 2.000 2.456 -11.743 1.00 99.99 N ATOM 1508 CE2 TRP D 41 2.207 3.791 -11.491 1.00 99.99 C ATOM 1509 CE3 TRP D 41 3.750 5.144 -10.154 1.00 99.99 C ATOM 1510 CZ2 TRP D 41 1.514 4.919 -11.905 1.00 99.99 C ATOM 1511 CZ3 TRP D 41 3.057 6.277 -10.586 1.00 99.99 C ATOM 1512 CH2 TRP D 41 1.952 6.173 -11.448 1.00 99.99 C ATOM 0 H TRP D 41 7.164 1.438 -8.537 1.00 99.99 H new ATOM 0 HA TRP D 41 6.043 1.135 -11.088 1.00 99.99 H new ATOM 0 HB2 TRP D 41 4.726 1.269 -8.968 1.00 99.99 H new ATOM 0 HB3 TRP D 41 5.166 2.958 -8.808 1.00 99.99 H new ATOM 0 HD1 TRP D 41 3.099 0.667 -11.187 1.00 99.99 H new ATOM 0 HE1 TRP D 41 1.245 2.067 -12.308 1.00 99.99 H new ATOM 0 HE3 TRP D 41 4.596 5.224 -9.487 1.00 99.99 H new ATOM 0 HZ2 TRP D 41 0.660 4.835 -12.561 1.00 99.99 H new ATOM 0 HZ3 TRP D 41 3.377 7.253 -10.251 1.00 99.99 H new ATOM 0 HH2 TRP D 41 1.434 7.067 -11.763 1.00 99.99 H new ATOM 1523 N ILE D 42 7.202 4.080 -10.246 1.00 99.99 N ATOM 1524 CA ILE D 42 7.595 5.404 -10.718 1.00 99.99 C ATOM 1525 C ILE D 42 8.682 5.259 -11.773 1.00 99.99 C ATOM 1526 O ILE D 42 8.629 5.942 -12.765 1.00 99.99 O ATOM 1527 CB ILE D 42 8.185 6.282 -9.609 1.00 99.99 C ATOM 1528 CG1 ILE D 42 7.073 6.713 -8.624 1.00 99.99 C ATOM 1529 CG2 ILE D 42 8.883 7.525 -10.203 1.00 99.99 C ATOM 1530 CD1 ILE D 42 7.592 7.519 -7.423 1.00 99.99 C ATOM 0 H ILE D 42 7.442 3.897 -9.272 1.00 99.99 H new ATOM 0 HA ILE D 42 6.690 5.873 -11.104 1.00 99.99 H new ATOM 0 HB ILE D 42 8.931 5.698 -9.070 1.00 99.99 H new ATOM 0 HG12 ILE D 42 6.336 7.311 -9.160 1.00 99.99 H new ATOM 0 HG13 ILE D 42 6.558 5.824 -8.259 1.00 99.99 H new ATOM 0 HG21 ILE D 42 9.293 8.132 -9.396 1.00 99.99 H new ATOM 0 HG22 ILE D 42 9.689 7.208 -10.865 1.00 99.99 H new ATOM 0 HG23 ILE D 42 8.160 8.113 -10.768 1.00 99.99 H new ATOM 0 HD11 ILE D 42 6.757 7.786 -6.776 1.00 99.99 H new ATOM 0 HD12 ILE D 42 8.307 6.917 -6.862 1.00 99.99 H new ATOM 0 HD13 ILE D 42 8.081 8.426 -7.778 1.00 99.99 H new ATOM 1542 N LEU D 43 9.594 4.421 -11.534 1.00 99.99 N ATOM 1543 CA LEU D 43 10.709 4.200 -12.446 1.00 99.99 C ATOM 1544 C LEU D 43 10.184 3.629 -13.755 1.00 99.99 C ATOM 1545 O LEU D 43 10.713 3.953 -14.789 1.00 99.99 O ATOM 1546 CB LEU D 43 11.727 3.185 -11.909 1.00 99.99 C ATOM 1547 CG LEU D 43 12.545 3.684 -10.695 1.00 99.99 C ATOM 1548 CD1 LEU D 43 13.332 2.518 -10.068 1.00 99.99 C ATOM 1549 CD2 LEU D 43 13.505 4.822 -11.075 1.00 99.99 C ATOM 0 H LEU D 43 9.621 3.841 -10.695 1.00 99.99 H new ATOM 0 HA LEU D 43 11.197 5.167 -12.572 1.00 99.99 H new ATOM 0 HB2 LEU D 43 11.200 2.274 -11.627 1.00 99.99 H new ATOM 0 HB3 LEU D 43 12.415 2.919 -12.711 1.00 99.99 H new ATOM 0 HG LEU D 43 11.837 4.079 -9.966 1.00 99.99 H new ATOM 0 HD11 LEU D 43 13.904 2.882 -9.214 1.00 99.99 H new ATOM 0 HD12 LEU D 43 12.637 1.746 -9.737 1.00 99.99 H new ATOM 0 HD13 LEU D 43 14.013 2.099 -10.809 1.00 99.99 H new ATOM 0 HD21 LEU D 43 14.059 5.141 -10.192 1.00 99.99 H new ATOM 0 HD22 LEU D 43 14.204 4.470 -11.834 1.00 99.99 H new ATOM 0 HD23 LEU D 43 12.934 5.663 -11.469 1.00 99.99 H new ATOM 1561 N ASP D 44 9.214 2.827 -13.672 1.00 99.99 N ATOM 1562 CA ASP D 44 8.630 2.186 -14.842 1.00 99.99 C ATOM 1563 C ASP D 44 7.960 3.241 -15.713 1.00 99.99 C ATOM 1564 O ASP D 44 8.069 3.167 -16.912 1.00 99.99 O ATOM 1565 CB ASP D 44 7.540 1.165 -14.485 1.00 99.99 C ATOM 1566 CG ASP D 44 6.993 0.430 -15.724 1.00 99.99 C ATOM 1567 OD1 ASP D 44 7.761 -0.342 -16.345 1.00 99.99 O ATOM 1568 OD2 ASP D 44 5.778 0.586 -16.048 1.00 99.99 O ATOM 0 H ASP D 44 8.769 2.569 -12.791 1.00 99.99 H new ATOM 0 HA ASP D 44 9.448 1.675 -15.349 1.00 99.99 H new ATOM 0 HB2 ASP D 44 7.945 0.436 -13.783 1.00 99.99 H new ATOM 0 HB3 ASP D 44 6.721 1.675 -13.978 1.00 99.99 H new ATOM 1573 N ARG D 45 7.313 4.141 -15.113 1.00 99.99 N ATOM 1574 CA ARG D 45 6.603 5.200 -15.822 1.00 99.99 C ATOM 1575 C ARG D 45 7.604 6.060 -16.579 1.00 99.99 C ATOM 1576 O ARG D 45 7.346 6.402 -17.705 1.00 99.99 O ATOM 1577 CB ARG D 45 5.846 6.146 -14.880 1.00 99.99 C ATOM 1578 CG ARG D 45 4.694 5.466 -14.111 1.00 99.99 C ATOM 1579 CD ARG D 45 3.457 5.210 -14.982 1.00 99.99 C ATOM 1580 NE ARG D 45 3.546 3.816 -15.546 1.00 99.99 N ATOM 1581 CZ ARG D 45 2.866 3.466 -16.654 1.00 99.99 C ATOM 1582 NH1 ARG D 45 2.060 4.335 -17.290 1.00 99.99 N ATOM 1583 NH2 ARG D 45 2.983 2.205 -17.101 1.00 99.99 N ATOM 0 H ARG D 45 7.237 4.198 -14.097 1.00 99.99 H new ATOM 0 HA ARG D 45 5.891 4.702 -16.480 1.00 99.99 H new ATOM 0 HB2 ARG D 45 6.549 6.570 -14.163 1.00 99.99 H new ATOM 0 HB3 ARG D 45 5.443 6.976 -15.460 1.00 99.99 H new ATOM 0 HG2 ARG D 45 5.047 4.518 -13.704 1.00 99.99 H new ATOM 0 HG3 ARG D 45 4.412 6.091 -13.264 1.00 99.99 H new ATOM 0 HD2 ARG D 45 2.548 5.321 -14.390 1.00 99.99 H new ATOM 0 HD3 ARG D 45 3.404 5.942 -15.788 1.00 99.99 H new ATOM 0 HE ARG D 45 4.133 3.124 -15.080 1.00 99.99 H new ATOM 0 HH11 ARG D 45 1.953 5.285 -16.935 1.00 99.99 H new ATOM 0 HH12 ARG D 45 1.556 4.044 -18.128 1.00 99.99 H new ATOM 0 HH21 ARG D 45 3.576 1.540 -16.603 1.00 99.99 H new ATOM 0 HH22 ARG D 45 2.479 1.912 -17.938 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 10.346 6.461 -17.711 1.00 99.99 C ATOM 1600 O LEU D 46 11.026 5.456 -17.509 1.00 99.99 O ATOM 1601 CB LEU D 46 10.818 7.560 -15.577 1.00 99.99 C ATOM 1602 CG LEU D 46 10.426 8.325 -14.289 1.00 99.99 C ATOM 1603 CD1 LEU D 46 11.648 8.355 -13.351 1.00 99.99 C ATOM 1604 CD2 LEU D 46 9.930 9.750 -14.556 1.00 99.99 C ATOM 0 H LEU D 46 8.870 6.062 -15.014 1.00 99.99 H new ATOM 0 HA LEU D 46 9.196 8.125 -16.878 1.00 99.99 H new ATOM 0 HB2 LEU D 46 11.309 6.633 -15.282 1.00 99.99 H new ATOM 0 HB3 LEU D 46 11.558 8.156 -16.111 1.00 99.99 H new ATOM 0 HG LEU D 46 9.590 7.798 -13.829 1.00 99.99 H new ATOM 0 HD11 LEU D 46 11.392 8.890 -12.437 1.00 99.99 H new ATOM 0 HD12 LEU D 46 11.942 7.335 -13.104 1.00 99.99 H new ATOM 0 HD13 LEU D 46 12.476 8.861 -13.848 1.00 99.99 H new ATOM 0 HD21 LEU D 46 9.673 10.229 -13.611 1.00 99.99 H new ATOM 0 HD22 LEU D 46 10.715 10.322 -15.050 1.00 99.99 H new ATOM 0 HD23 LEU D 46 9.049 9.715 -15.197 1.00 99.99 H new