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 65:sc= 0.254 USER MOD Single : A 37 HIS : no HD1:sc= -0.422 X(o=-0.42,f=-0.33) 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= 0.253 USER MOD Single : B 37 HIS : no HD1:sc= -0.406 X(o=-0.41,f=-0.33) 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 67:sc= 0.249 USER MOD Single : C 37 HIS : no HD1:sc= -0.388 X(o=-0.39,f=-0.32) 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 64:sc= 0.248 USER MOD Single : D 37 HIS : no HD1:sc= -0.426 X(o=-0.43,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 22 0.514 10.395 18.941 1.00 99.99 N ATOM 2 CA SER A 22 1.252 10.116 17.676 1.00 99.99 C ATOM 3 C SER A 22 1.593 8.656 17.532 1.00 99.99 C ATOM 4 O SER A 22 1.398 7.859 18.450 1.00 99.99 O ATOM 5 CB SER A 22 2.532 11.005 17.557 1.00 99.99 C ATOM 6 OG SER A 22 3.489 10.753 18.584 1.00 99.99 O ATOM 0 HA SER A 22 0.584 10.375 16.855 1.00 99.99 H new ATOM 0 HB2 SER A 22 2.997 10.833 16.586 1.00 99.99 H new ATOM 0 HB3 SER A 22 2.241 12.055 17.590 1.00 99.99 H new ATOM 0 HG SER A 22 4.266 11.336 18.457 1.00 99.99 H new ATOM 11 N SER A 23 2.126 8.284 16.343 1.00 99.99 N ATOM 12 CA SER A 23 2.611 6.954 16.058 1.00 99.99 C ATOM 13 C SER A 23 4.040 7.130 15.611 1.00 99.99 C ATOM 14 O SER A 23 4.635 8.186 15.823 1.00 99.99 O ATOM 15 CB SER A 23 1.773 6.231 14.976 1.00 99.99 C ATOM 16 OG SER A 23 0.437 6.049 15.428 1.00 99.99 O ATOM 0 H SER A 23 2.223 8.926 15.556 1.00 99.99 H new ATOM 0 HA SER A 23 2.533 6.322 16.942 1.00 99.99 H new ATOM 0 HB2 SER A 23 1.776 6.813 14.054 1.00 99.99 H new ATOM 0 HB3 SER A 23 2.221 5.265 14.745 1.00 99.99 H new ATOM 0 HG SER A 23 -0.084 5.592 14.735 1.00 99.99 H new ATOM 22 N ASP A 24 4.641 6.075 15.002 1.00 99.99 N ATOM 23 CA ASP A 24 6.048 6.040 14.648 1.00 99.99 C ATOM 24 C ASP A 24 6.214 6.643 13.270 1.00 99.99 C ATOM 25 O ASP A 24 5.269 6.576 12.492 1.00 99.99 O ATOM 26 CB ASP A 24 6.607 4.589 14.617 1.00 99.99 C ATOM 27 CG ASP A 24 6.526 3.925 15.995 1.00 99.99 C ATOM 28 OD1 ASP A 24 6.436 4.650 17.022 1.00 99.99 O ATOM 29 OD2 ASP A 24 6.565 2.666 16.034 1.00 99.99 O ATOM 0 H ASP A 24 4.139 5.224 14.748 1.00 99.99 H new ATOM 0 HA ASP A 24 6.598 6.601 15.403 1.00 99.99 H new ATOM 0 HB2 ASP A 24 6.046 3.997 13.894 1.00 99.99 H new ATOM 0 HB3 ASP A 24 7.644 4.605 14.280 1.00 99.99 H new ATOM 34 N PRO A 25 7.340 7.258 12.900 1.00 99.99 N ATOM 35 CA PRO A 25 7.410 8.142 11.746 1.00 99.99 C ATOM 36 C PRO A 25 7.404 7.396 10.431 1.00 99.99 C ATOM 37 O PRO A 25 6.996 7.998 9.450 1.00 99.99 O ATOM 38 CB PRO A 25 8.725 8.918 11.929 1.00 99.99 C ATOM 39 CG PRO A 25 9.575 8.017 12.827 1.00 99.99 C ATOM 40 CD PRO A 25 8.530 7.379 13.739 1.00 99.99 C ATOM 0 HA PRO A 25 6.536 8.791 11.700 1.00 99.99 H new ATOM 0 HB2 PRO A 25 9.215 9.102 10.973 1.00 99.99 H new ATOM 0 HB3 PRO A 25 8.552 9.890 12.391 1.00 99.99 H new ATOM 0 HG2 PRO A 25 10.122 7.270 12.251 1.00 99.99 H new ATOM 0 HG3 PRO A 25 10.313 8.587 13.392 1.00 99.99 H new ATOM 0 HD2 PRO A 25 8.861 6.406 14.102 1.00 99.99 H new ATOM 0 HD3 PRO A 25 8.337 7.998 14.615 1.00 99.99 H new ATOM 48 N LEU A 26 7.855 6.121 10.392 1.00 99.99 N ATOM 49 CA LEU A 26 7.821 5.199 9.264 1.00 99.99 C ATOM 50 C LEU A 26 6.387 4.752 9.021 1.00 99.99 C ATOM 51 O LEU A 26 5.977 4.690 7.890 1.00 99.99 O ATOM 52 CB LEU A 26 8.636 3.922 9.509 1.00 99.99 C ATOM 53 CG LEU A 26 8.478 2.796 8.462 1.00 99.99 C ATOM 54 CD1 LEU A 26 8.985 3.202 7.076 1.00 99.99 C ATOM 55 CD2 LEU A 26 9.182 1.520 8.943 1.00 99.99 C ATOM 0 H LEU A 26 8.280 5.692 11.214 1.00 99.99 H new ATOM 0 HA LEU A 26 8.245 5.739 8.417 1.00 99.99 H new ATOM 0 HB2 LEU A 26 9.690 4.194 9.562 1.00 99.99 H new ATOM 0 HB3 LEU A 26 8.360 3.522 10.485 1.00 99.99 H new ATOM 0 HG LEU A 26 7.410 2.602 8.360 1.00 99.99 H new ATOM 0 HD11 LEU A 26 8.849 2.373 6.382 1.00 99.99 H new ATOM 0 HD12 LEU A 26 8.424 4.067 6.722 1.00 99.99 H new ATOM 0 HD13 LEU A 26 10.043 3.456 7.136 1.00 99.99 H new ATOM 0 HD21 LEU A 26 9.063 0.735 8.196 1.00 99.99 H new ATOM 0 HD22 LEU A 26 10.243 1.723 9.090 1.00 99.99 H new ATOM 0 HD23 LEU A 26 8.741 1.194 9.885 1.00 99.99 H new ATOM 67 N VAL A 27 5.707 4.461 10.044 1.00 99.99 N ATOM 68 CA VAL A 27 4.327 3.995 9.958 1.00 99.99 C ATOM 69 C VAL A 27 3.452 5.112 9.408 1.00 99.99 C ATOM 70 O VAL A 27 2.660 4.858 8.536 1.00 99.99 O ATOM 71 CB VAL A 27 3.739 3.616 11.323 1.00 99.99 C ATOM 72 CG1 VAL A 27 2.248 3.248 11.192 1.00 99.99 C ATOM 73 CG2 VAL A 27 4.515 2.413 11.903 1.00 99.99 C ATOM 0 H VAL A 27 6.065 4.528 10.997 1.00 99.99 H new ATOM 0 HA VAL A 27 4.341 3.114 9.316 1.00 99.99 H new ATOM 0 HB VAL A 27 3.830 4.473 11.990 1.00 99.99 H new ATOM 0 HG11 VAL A 27 1.851 2.983 12.172 1.00 99.99 H new ATOM 0 HG12 VAL A 27 1.696 4.101 10.796 1.00 99.99 H new ATOM 0 HG13 VAL A 27 2.141 2.400 10.515 1.00 99.99 H new ATOM 0 HG21 VAL A 27 4.097 2.144 12.873 1.00 99.99 H new ATOM 0 HG22 VAL A 27 4.431 1.565 11.224 1.00 99.99 H new ATOM 0 HG23 VAL A 27 5.565 2.680 12.022 1.00 99.99 H new ATOM 83 N VAL A 28 3.610 6.256 9.917 1.00 99.99 N ATOM 84 CA VAL A 28 2.820 7.411 9.505 1.00 99.99 C ATOM 85 C VAL A 28 3.209 7.805 8.089 1.00 99.99 C ATOM 86 O VAL A 28 2.341 8.087 7.300 1.00 99.99 O ATOM 87 CB VAL A 28 3.064 8.645 10.383 1.00 99.99 C ATOM 88 CG1 VAL A 28 2.351 9.888 9.812 1.00 99.99 C ATOM 89 CG2 VAL A 28 2.578 8.367 11.819 1.00 99.99 C ATOM 0 H VAL A 28 4.293 6.459 10.646 1.00 99.99 H new ATOM 0 HA VAL A 28 1.775 7.114 9.589 1.00 99.99 H new ATOM 0 HB VAL A 28 4.135 8.850 10.395 1.00 99.99 H new ATOM 0 HG11 VAL A 28 2.543 10.746 10.457 1.00 99.99 H new ATOM 0 HG12 VAL A 28 2.727 10.095 8.810 1.00 99.99 H new ATOM 0 HG13 VAL A 28 1.278 9.702 9.765 1.00 99.99 H new ATOM 0 HG21 VAL A 28 2.753 9.246 12.439 1.00 99.99 H new ATOM 0 HG22 VAL A 28 1.512 8.140 11.805 1.00 99.99 H new ATOM 0 HG23 VAL A 28 3.124 7.518 12.230 1.00 99.99 H new ATOM 99 N ALA A 29 4.442 7.820 7.825 1.00 99.99 N ATOM 100 CA ALA A 29 4.957 8.206 6.515 1.00 99.99 C ATOM 101 C ALA A 29 4.425 7.243 5.464 1.00 99.99 C ATOM 102 O ALA A 29 4.043 7.686 4.408 1.00 99.99 O ATOM 103 CB ALA A 29 6.487 8.136 6.431 1.00 99.99 C ATOM 0 H ALA A 29 5.166 7.567 8.498 1.00 99.99 H new ATOM 0 HA ALA A 29 4.635 9.234 6.349 1.00 99.99 H new ATOM 0 HB1 ALA A 29 6.811 8.434 5.434 1.00 99.99 H new ATOM 0 HB2 ALA A 29 6.923 8.808 7.170 1.00 99.99 H new ATOM 0 HB3 ALA A 29 6.816 7.116 6.629 1.00 99.99 H new ATOM 109 N ALA A 30 4.424 6.019 5.766 1.00 99.99 N ATOM 110 CA ALA A 30 3.966 4.987 4.844 1.00 99.99 C ATOM 111 C ALA A 30 2.492 5.202 4.537 1.00 99.99 C ATOM 112 O ALA A 30 2.084 4.955 3.428 1.00 99.99 O ATOM 113 CB ALA A 30 4.082 3.572 5.427 1.00 99.99 C ATOM 0 H ALA A 30 4.740 5.661 6.667 1.00 99.99 H new ATOM 0 HA ALA A 30 4.598 5.066 3.960 1.00 99.99 H new ATOM 0 HB1 ALA A 30 3.726 2.847 4.695 1.00 99.99 H new ATOM 0 HB2 ALA A 30 5.124 3.362 5.669 1.00 99.99 H new ATOM 0 HB3 ALA A 30 3.478 3.501 6.332 1.00 99.99 H new ATOM 119 N SER A 31 1.777 5.634 5.480 1.00 99.99 N ATOM 120 CA SER A 31 0.344 5.863 5.333 1.00 99.99 C ATOM 121 C SER A 31 0.112 6.928 4.271 1.00 99.99 C ATOM 122 O SER A 31 -0.721 6.736 3.421 1.00 99.99 O ATOM 123 CB SER A 31 -0.315 6.380 6.618 1.00 99.99 C ATOM 124 OG SER A 31 -0.267 5.391 7.645 1.00 99.99 O ATOM 0 H SER A 31 2.140 5.854 6.407 1.00 99.99 H new ATOM 0 HA SER A 31 -0.094 4.900 5.070 1.00 99.99 H new ATOM 0 HB2 SER A 31 0.192 7.284 6.954 1.00 99.99 H new ATOM 0 HB3 SER A 31 -1.351 6.652 6.417 1.00 99.99 H new ATOM 0 HG SER A 31 0.666 5.227 7.898 1.00 99.99 H new ATOM 130 N ILE A 32 0.816 7.972 4.356 1.00 99.99 N ATOM 131 CA ILE A 32 0.680 9.083 3.422 1.00 99.99 C ATOM 132 C ILE A 32 1.076 8.623 2.027 1.00 99.99 C ATOM 133 O ILE A 32 0.463 9.036 1.077 1.00 99.99 O ATOM 134 CB ILE A 32 1.596 10.266 3.764 1.00 99.99 C ATOM 135 CG1 ILE A 32 1.173 10.895 5.110 1.00 99.99 C ATOM 136 CG2 ILE A 32 1.559 11.331 2.649 1.00 99.99 C ATOM 137 CD1 ILE A 32 2.235 11.837 5.693 1.00 99.99 C ATOM 0 H ILE A 32 1.525 8.117 5.075 1.00 99.99 H new ATOM 0 HA ILE A 32 -0.360 9.404 3.480 1.00 99.99 H new ATOM 0 HB ILE A 32 2.617 9.893 3.849 1.00 99.99 H new ATOM 0 HG12 ILE A 32 0.243 11.447 4.970 1.00 99.99 H new ATOM 0 HG13 ILE A 32 0.967 10.100 5.827 1.00 99.99 H new ATOM 0 HG21 ILE A 32 2.216 12.159 2.915 1.00 99.99 H new ATOM 0 HG22 ILE A 32 1.895 10.888 1.711 1.00 99.99 H new ATOM 0 HG23 ILE A 32 0.540 11.700 2.532 1.00 99.99 H new ATOM 0 HD11 ILE A 32 1.879 12.247 6.638 1.00 99.99 H new ATOM 0 HD12 ILE A 32 3.159 11.283 5.863 1.00 99.99 H new ATOM 0 HD13 ILE A 32 2.423 12.651 4.993 1.00 99.99 H new ATOM 149 N ILE A 33 2.048 7.822 1.954 1.00 99.99 N ATOM 150 CA ILE A 33 2.554 7.320 0.682 1.00 99.99 C ATOM 151 C ILE A 33 1.456 6.535 -0.023 1.00 99.99 C ATOM 152 O ILE A 33 1.249 6.739 -1.191 1.00 99.99 O ATOM 153 CB ILE A 33 3.735 6.353 0.845 1.00 99.99 C ATOM 154 CG1 ILE A 33 5.032 7.184 1.014 1.00 99.99 C ATOM 155 CG2 ILE A 33 3.858 5.379 -0.340 1.00 99.99 C ATOM 156 CD1 ILE A 33 6.230 6.399 1.559 1.00 99.99 C ATOM 0 H ILE A 33 2.549 7.468 2.769 1.00 99.99 H new ATOM 0 HA ILE A 33 2.880 8.195 0.119 1.00 99.99 H new ATOM 0 HB ILE A 33 3.565 5.739 1.729 1.00 99.99 H new ATOM 0 HG12 ILE A 33 5.303 7.609 0.048 1.00 99.99 H new ATOM 0 HG13 ILE A 33 4.827 8.019 1.684 1.00 99.99 H new ATOM 0 HG21 ILE A 33 4.708 4.715 -0.179 1.00 99.99 H new ATOM 0 HG22 ILE A 33 2.946 4.788 -0.421 1.00 99.99 H new ATOM 0 HG23 ILE A 33 4.008 5.943 -1.261 1.00 99.99 H new ATOM 0 HD11 ILE A 33 7.091 7.062 1.643 1.00 99.99 H new ATOM 0 HD12 ILE A 33 5.984 5.996 2.542 1.00 99.99 H new ATOM 0 HD13 ILE A 33 6.468 5.580 0.880 1.00 99.99 H new ATOM 168 N GLY A 34 0.818 5.704 0.680 1.00 99.99 N ATOM 169 CA GLY A 34 -0.244 4.868 0.128 1.00 99.99 C ATOM 170 C GLY A 34 -1.413 5.747 -0.285 1.00 99.99 C ATOM 171 O GLY A 34 -2.041 5.459 -1.273 1.00 99.99 O ATOM 0 H GLY A 34 0.992 5.554 1.674 1.00 99.99 H new ATOM 0 HA2 GLY A 34 0.127 4.309 -0.731 1.00 99.99 H new ATOM 0 HA3 GLY A 34 -0.568 4.136 0.868 1.00 99.99 H new ATOM 175 N ILE A 35 -1.354 7.024 0.057 1.00 99.99 N ATOM 176 CA ILE A 35 -2.405 7.895 -0.463 1.00 99.99 C ATOM 177 C ILE A 35 -1.905 8.595 -1.717 1.00 99.99 C ATOM 178 O ILE A 35 -2.612 8.621 -2.692 1.00 99.99 O ATOM 179 CB ILE A 35 -2.803 9.002 0.521 1.00 99.99 C ATOM 180 CG1 ILE A 35 -3.318 8.386 1.846 1.00 99.99 C ATOM 181 CG2 ILE A 35 -3.887 9.901 -0.112 1.00 99.99 C ATOM 182 CD1 ILE A 35 -3.448 9.375 3.009 1.00 99.99 C ATOM 0 H ILE A 35 -0.647 7.461 0.648 1.00 99.99 H new ATOM 0 HA ILE A 35 -3.267 7.255 -0.652 1.00 99.99 H new ATOM 0 HB ILE A 35 -1.926 9.610 0.743 1.00 99.99 H new ATOM 0 HG12 ILE A 35 -4.292 7.931 1.664 1.00 99.99 H new ATOM 0 HG13 ILE A 35 -2.642 7.584 2.144 1.00 99.99 H new ATOM 0 HG21 ILE A 35 -4.166 10.685 0.592 1.00 99.99 H new ATOM 0 HG22 ILE A 35 -3.498 10.353 -1.024 1.00 99.99 H new ATOM 0 HG23 ILE A 35 -4.764 9.300 -0.351 1.00 99.99 H new ATOM 0 HD11 ILE A 35 -3.815 8.852 3.892 1.00 99.99 H new ATOM 0 HD12 ILE A 35 -2.473 9.813 3.225 1.00 99.99 H new ATOM 0 HD13 ILE A 35 -4.148 10.165 2.738 1.00 99.99 H new ATOM 194 N LEU A 36 -0.758 9.117 -1.653 1.00 99.99 N ATOM 195 CA LEU A 36 -0.168 9.843 -2.772 1.00 99.99 C ATOM 196 C LEU A 36 -0.070 8.917 -3.976 1.00 99.99 C ATOM 197 O LEU A 36 -0.366 9.340 -5.064 1.00 99.99 O ATOM 198 CB LEU A 36 1.259 10.327 -2.483 1.00 99.99 C ATOM 199 CG LEU A 36 1.990 10.987 -3.671 1.00 99.99 C ATOM 200 CD1 LEU A 36 1.274 12.269 -4.120 1.00 99.99 C ATOM 201 CD2 LEU A 36 3.457 11.273 -3.325 1.00 99.99 C ATOM 0 H LEU A 36 -0.163 9.072 -0.826 1.00 99.99 H new ATOM 0 HA LEU A 36 -0.811 10.705 -2.951 1.00 99.99 H new ATOM 0 HB2 LEU A 36 1.222 11.041 -1.660 1.00 99.99 H new ATOM 0 HB3 LEU A 36 1.850 9.477 -2.142 1.00 99.99 H new ATOM 0 HG LEU A 36 1.971 10.284 -4.504 1.00 99.99 H new ATOM 0 HD11 LEU A 36 1.812 12.712 -4.958 1.00 99.99 H new ATOM 0 HD12 LEU A 36 0.256 12.029 -4.428 1.00 99.99 H new ATOM 0 HD13 LEU A 36 1.245 12.978 -3.293 1.00 99.99 H new ATOM 0 HD21 LEU A 36 3.948 11.738 -4.180 1.00 99.99 H new ATOM 0 HD22 LEU A 36 3.504 11.946 -2.469 1.00 99.99 H new ATOM 0 HD23 LEU A 36 3.962 10.339 -3.080 1.00 99.99 H new ATOM 213 N HIS A 37 0.368 7.651 -3.782 1.00 99.99 N ATOM 214 CA HIS A 37 0.561 6.674 -4.827 1.00 99.99 C ATOM 215 C HIS A 37 -0.750 6.370 -5.501 1.00 99.99 C ATOM 216 O HIS A 37 -0.785 6.032 -6.683 1.00 99.99 O ATOM 217 CB HIS A 37 1.157 5.360 -4.269 1.00 99.99 C ATOM 218 CG HIS A 37 1.561 4.366 -5.327 1.00 99.99 C ATOM 219 ND1 HIS A 37 1.799 3.048 -5.044 1.00 99.99 N ATOM 220 CD2 HIS A 37 1.813 4.541 -6.646 1.00 99.99 C ATOM 221 CE1 HIS A 37 2.174 2.442 -6.163 1.00 99.99 C ATOM 222 NE2 HIS A 37 2.190 3.326 -7.150 1.00 99.99 N ATOM 0 H HIS A 37 0.598 7.291 -2.856 1.00 99.99 H new ATOM 0 HA HIS A 37 1.261 7.097 -5.547 1.00 99.99 H new ATOM 0 HB2 HIS A 37 2.029 5.600 -3.660 1.00 99.99 H new ATOM 0 HB3 HIS A 37 0.425 4.894 -3.609 1.00 99.99 H new ATOM 0 HD2 HIS A 37 1.732 5.466 -7.197 1.00 99.99 H new ATOM 0 HE1 HIS A 37 2.426 1.396 -6.255 1.00 99.99 H new ATOM 0 HE2 HIS A 37 2.441 3.134 -8.120 1.00 99.99 H new ATOM 230 N LEU A 38 -1.868 6.528 -4.752 1.00 99.99 N ATOM 231 CA LEU A 38 -3.212 6.289 -5.264 1.00 99.99 C ATOM 232 C LEU A 38 -3.592 7.408 -6.222 1.00 99.99 C ATOM 233 O LEU A 38 -4.131 7.131 -7.263 1.00 99.99 O ATOM 234 CB LEU A 38 -4.281 6.282 -4.162 1.00 99.99 C ATOM 235 CG LEU A 38 -5.716 6.054 -4.696 1.00 99.99 C ATOM 236 CD1 LEU A 38 -5.841 4.719 -5.442 1.00 99.99 C ATOM 237 CD2 LEU A 38 -6.765 6.146 -3.587 1.00 99.99 C ATOM 0 H LEU A 38 -1.848 6.825 -3.777 1.00 99.99 H new ATOM 0 HA LEU A 38 -3.186 5.311 -5.744 1.00 99.99 H new ATOM 0 HB2 LEU A 38 -4.042 5.501 -3.440 1.00 99.99 H new ATOM 0 HB3 LEU A 38 -4.247 7.231 -3.628 1.00 99.99 H new ATOM 0 HG LEU A 38 -5.910 6.859 -5.405 1.00 99.99 H new ATOM 0 HD11 LEU A 38 -6.863 4.597 -5.801 1.00 99.99 H new ATOM 0 HD12 LEU A 38 -5.155 4.710 -6.289 1.00 99.99 H new ATOM 0 HD13 LEU A 38 -5.593 3.900 -4.766 1.00 99.99 H new ATOM 0 HD21 LEU A 38 -7.756 5.979 -4.009 1.00 99.99 H new ATOM 0 HD22 LEU A 38 -6.561 5.389 -2.830 1.00 99.99 H new ATOM 0 HD23 LEU A 38 -6.726 7.135 -3.131 1.00 99.99 H new ATOM 249 N ILE A 39 -3.317 8.582 -5.855 1.00 99.99 N ATOM 250 CA ILE A 39 -3.649 9.752 -6.661 1.00 99.99 C ATOM 251 C ILE A 39 -2.824 9.730 -7.939 1.00 99.99 C ATOM 252 O ILE A 39 -3.359 9.997 -8.986 1.00 99.99 O ATOM 253 CB ILE A 39 -3.321 11.076 -5.957 1.00 99.99 C ATOM 254 CG1 ILE A 39 -4.251 11.266 -4.738 1.00 99.99 C ATOM 255 CG2 ILE A 39 -3.471 12.256 -6.940 1.00 99.99 C ATOM 256 CD1 ILE A 39 -3.883 12.471 -3.861 1.00 99.99 C ATOM 0 H ILE A 39 -2.847 8.802 -4.977 1.00 99.99 H new ATOM 0 HA ILE A 39 -4.722 9.702 -6.848 1.00 99.99 H new ATOM 0 HB ILE A 39 -2.288 11.048 -5.610 1.00 99.99 H new ATOM 0 HG12 ILE A 39 -5.276 11.384 -5.089 1.00 99.99 H new ATOM 0 HG13 ILE A 39 -4.225 10.363 -4.128 1.00 99.99 H new ATOM 0 HG21 ILE A 39 -3.235 13.189 -6.427 1.00 99.99 H new ATOM 0 HG22 ILE A 39 -2.788 12.120 -7.778 1.00 99.99 H new ATOM 0 HG23 ILE A 39 -4.496 12.294 -7.309 1.00 99.99 H new ATOM 0 HD11 ILE A 39 -4.580 12.540 -3.026 1.00 99.99 H new ATOM 0 HD12 ILE A 39 -2.870 12.347 -3.479 1.00 99.99 H new ATOM 0 HD13 ILE A 39 -3.938 13.383 -4.455 1.00 99.99 H new ATOM 268 N LEU A 40 -1.604 9.437 -7.819 1.00 99.99 N ATOM 269 CA LEU A 40 -0.692 9.403 -8.956 1.00 99.99 C ATOM 270 C LEU A 40 -1.190 8.386 -9.972 1.00 99.99 C ATOM 271 O LEU A 40 -1.191 8.678 -11.141 1.00 99.99 O ATOM 272 CB LEU A 40 0.728 8.970 -8.571 1.00 99.99 C ATOM 273 CG LEU A 40 1.535 9.994 -7.742 1.00 99.99 C ATOM 274 CD1 LEU A 40 2.889 9.379 -7.335 1.00 99.99 C ATOM 275 CD2 LEU A 40 1.765 11.308 -8.501 1.00 99.99 C ATOM 0 H LEU A 40 -1.166 9.204 -6.928 1.00 99.99 H new ATOM 0 HA LEU A 40 -0.662 10.418 -9.353 1.00 99.99 H new ATOM 0 HB2 LEU A 40 0.665 8.040 -8.005 1.00 99.99 H new ATOM 0 HB3 LEU A 40 1.282 8.751 -9.484 1.00 99.99 H new ATOM 0 HG LEU A 40 0.950 10.232 -6.854 1.00 99.99 H new ATOM 0 HD11 LEU A 40 3.456 10.103 -6.750 1.00 99.99 H new ATOM 0 HD12 LEU A 40 2.717 8.484 -6.737 1.00 99.99 H new ATOM 0 HD13 LEU A 40 3.452 9.114 -8.230 1.00 99.99 H new ATOM 0 HD21 LEU A 40 2.336 11.994 -7.876 1.00 99.99 H new ATOM 0 HD22 LEU A 40 2.318 11.106 -9.418 1.00 99.99 H new ATOM 0 HD23 LEU A 40 0.804 11.758 -8.749 1.00 99.99 H new ATOM 287 N TRP A 41 -1.575 7.274 -9.516 1.00 99.99 N ATOM 288 CA TRP A 41 -2.050 6.198 -10.377 1.00 99.99 C ATOM 289 C TRP A 41 -3.361 6.618 -11.025 1.00 99.99 C ATOM 290 O TRP A 41 -3.545 6.369 -12.190 1.00 99.99 O ATOM 291 CB TRP A 41 -2.340 4.902 -9.609 1.00 99.99 C ATOM 292 CG TRP A 41 -2.735 3.734 -10.495 1.00 99.99 C ATOM 293 CD1 TRP A 41 -1.908 2.958 -11.247 1.00 99.99 C ATOM 294 CD2 TRP A 41 -4.077 3.307 -10.784 1.00 99.99 C ATOM 295 NE1 TRP A 41 -2.630 2.018 -11.926 1.00 99.99 N ATOM 296 CE2 TRP A 41 -3.966 2.237 -11.692 1.00 99.99 C ATOM 297 CE3 TRP A 41 -5.321 3.754 -10.327 1.00 99.99 C ATOM 298 CZ2 TRP A 41 -5.096 1.577 -12.151 1.00 99.99 C ATOM 299 CZ3 TRP A 41 -6.455 3.095 -10.804 1.00 99.99 C ATOM 300 CH2 TRP A 41 -6.352 2.019 -11.703 1.00 99.99 C ATOM 0 H TRP A 41 -1.583 7.045 -8.522 1.00 99.99 H new ATOM 0 HA TRP A 41 -1.259 6.013 -11.103 1.00 99.99 H new ATOM 0 HB2 TRP A 41 -1.455 4.626 -9.035 1.00 99.99 H new ATOM 0 HB3 TRP A 41 -3.140 5.088 -8.892 1.00 99.99 H new ATOM 0 HD1 TRP A 41 -0.835 3.069 -11.299 1.00 99.99 H new ATOM 0 HE1 TRP A 41 -2.242 1.277 -12.510 1.00 99.99 H new ATOM 0 HE3 TRP A 41 -5.401 4.577 -9.632 1.00 99.99 H new ATOM 0 HZ2 TRP A 41 -5.013 0.745 -12.835 1.00 99.99 H new ATOM 0 HZ3 TRP A 41 -7.432 3.418 -10.476 1.00 99.99 H new ATOM 0 HH2 TRP A 41 -7.248 1.527 -12.053 1.00 99.99 H new ATOM 311 N ILE A 42 -4.196 7.203 -10.281 1.00 99.99 N ATOM 312 CA ILE A 42 -5.504 7.636 -10.764 1.00 99.99 C ATOM 313 C ILE A 42 -5.317 8.730 -11.804 1.00 99.99 C ATOM 314 O ILE A 42 -5.990 8.707 -12.804 1.00 99.99 O ATOM 315 CB ILE A 42 -6.379 8.236 -9.658 1.00 99.99 C ATOM 316 CG1 ILE A 42 -6.851 7.124 -8.691 1.00 99.99 C ATOM 317 CG2 ILE A 42 -7.596 8.973 -10.258 1.00 99.99 C ATOM 318 CD1 ILE A 42 -7.657 7.650 -7.494 1.00 99.99 C ATOM 0 H ILE A 42 -4.024 7.416 -9.298 1.00 99.99 H new ATOM 0 HA ILE A 42 -5.992 6.748 -11.166 1.00 99.99 H new ATOM 0 HB ILE A 42 -5.782 8.960 -9.103 1.00 99.99 H new ATOM 0 HG12 ILE A 42 -7.461 6.409 -9.243 1.00 99.99 H new ATOM 0 HG13 ILE A 42 -5.980 6.582 -8.322 1.00 99.99 H new ATOM 0 HG21 ILE A 42 -8.202 9.390 -9.453 1.00 99.99 H new ATOM 0 HG22 ILE A 42 -7.250 9.778 -10.907 1.00 99.99 H new ATOM 0 HG23 ILE A 42 -8.196 8.272 -10.838 1.00 99.99 H new ATOM 0 HD11 ILE A 42 -7.954 6.815 -6.860 1.00 99.99 H new ATOM 0 HD12 ILE A 42 -7.043 8.342 -6.918 1.00 99.99 H new ATOM 0 HD13 ILE A 42 -8.547 8.167 -7.853 1.00 99.99 H new ATOM 330 N LEU A 43 -4.458 9.617 -11.545 1.00 99.99 N ATOM 331 CA LEU A 43 -4.197 10.736 -12.442 1.00 99.99 C ATOM 332 C LEU A 43 -3.614 10.212 -13.746 1.00 99.99 C ATOM 333 O LEU A 43 -3.908 10.757 -14.780 1.00 99.99 O ATOM 334 CB LEU A 43 -3.172 11.727 -11.876 1.00 99.99 C ATOM 335 CG LEU A 43 -3.675 12.544 -10.663 1.00 99.99 C ATOM 336 CD1 LEU A 43 -2.505 13.300 -10.008 1.00 99.99 C ATOM 337 CD2 LEU A 43 -4.786 13.531 -11.054 1.00 99.99 C ATOM 0 H LEU A 43 -3.887 9.620 -10.700 1.00 99.99 H new ATOM 0 HA LEU A 43 -5.151 11.245 -12.581 1.00 99.99 H new ATOM 0 HB2 LEU A 43 -2.277 11.178 -11.583 1.00 99.99 H new ATOM 0 HB3 LEU A 43 -2.877 12.417 -12.666 1.00 99.99 H new ATOM 0 HG LEU A 43 -4.098 11.838 -9.948 1.00 99.99 H new ATOM 0 HD11 LEU A 43 -2.873 13.871 -9.156 1.00 99.99 H new ATOM 0 HD12 LEU A 43 -1.754 12.586 -9.670 1.00 99.99 H new ATOM 0 HD13 LEU A 43 -2.059 13.979 -10.734 1.00 99.99 H new ATOM 0 HD21 LEU A 43 -5.109 14.083 -10.172 1.00 99.99 H new ATOM 0 HD22 LEU A 43 -4.406 14.229 -11.800 1.00 99.99 H new ATOM 0 HD23 LEU A 43 -5.632 12.982 -11.468 1.00 99.99 H new ATOM 349 N ASP A 44 -2.833 9.225 -13.658 1.00 99.99 N ATOM 350 CA ASP A 44 -2.183 8.639 -14.822 1.00 99.99 C ATOM 351 C ASP A 44 -3.231 7.971 -15.703 1.00 99.99 C ATOM 352 O ASP A 44 -3.151 8.087 -16.900 1.00 99.99 O ATOM 353 CB ASP A 44 -1.167 7.548 -14.456 1.00 99.99 C ATOM 354 CG ASP A 44 -0.422 6.999 -15.688 1.00 99.99 C ATOM 355 OD1 ASP A 44 0.357 7.765 -16.303 1.00 99.99 O ATOM 356 OD2 ASP A 44 -0.577 5.784 -16.013 1.00 99.99 O ATOM 0 H ASP A 44 -2.600 8.767 -12.777 1.00 99.99 H new ATOM 0 HA ASP A 44 -1.666 9.456 -15.325 1.00 99.99 H new ATOM 0 HB2 ASP A 44 -0.443 7.952 -13.748 1.00 99.99 H new ATOM 0 HB3 ASP A 44 -1.682 6.730 -13.953 1.00 99.99 H new ATOM 361 N ARG A 45 -4.133 7.319 -15.110 1.00 99.99 N ATOM 362 CA ARG A 45 -5.186 6.610 -15.828 1.00 99.99 C ATOM 363 C ARG A 45 -6.044 7.612 -16.586 1.00 99.99 C ATOM 364 O ARG A 45 -6.369 7.365 -17.719 1.00 99.99 O ATOM 365 CB ARG A 45 -6.136 5.848 -14.895 1.00 99.99 C ATOM 366 CG ARG A 45 -5.458 4.694 -14.128 1.00 99.99 C ATOM 367 CD ARG A 45 -5.195 3.460 -15.002 1.00 99.99 C ATOM 368 NE ARG A 45 -3.798 3.555 -15.558 1.00 99.99 N ATOM 369 CZ ARG A 45 -3.440 2.880 -16.667 1.00 99.99 C ATOM 370 NH1 ARG A 45 -4.303 2.076 -17.311 1.00 99.99 N ATOM 371 NH2 ARG A 45 -2.177 3.002 -17.106 1.00 99.99 N ATOM 0 H ARG A 45 -4.195 7.238 -14.095 1.00 99.99 H new ATOM 0 HA ARG A 45 -4.682 5.902 -16.486 1.00 99.99 H new ATOM 0 HB2 ARG A 45 -6.564 6.547 -14.177 1.00 99.99 H new ATOM 0 HB3 ARG A 45 -6.963 5.447 -15.481 1.00 99.99 H new ATOM 0 HG2 ARG A 45 -4.513 5.047 -13.715 1.00 99.99 H new ATOM 0 HG3 ARG A 45 -6.087 4.407 -13.285 1.00 99.99 H new ATOM 0 HD2 ARG A 45 -5.307 2.549 -14.414 1.00 99.99 H new ATOM 0 HD3 ARG A 45 -5.922 3.408 -15.812 1.00 99.99 H new ATOM 0 HE ARG A 45 -3.110 4.142 -15.086 1.00 99.99 H new ATOM 0 HH11 ARG A 45 -5.255 1.966 -16.962 1.00 99.99 H new ATOM 0 HH12 ARG A 45 -4.006 1.576 -18.149 1.00 99.99 H new ATOM 0 HH21 ARG A 45 -1.517 3.594 -16.602 1.00 99.99 H new ATOM 0 HH22 ARG A 45 -1.878 2.502 -17.943 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 -6.464 10.341 -17.716 1.00 99.99 C ATOM 388 O LEU A 46 -5.457 11.019 -17.520 1.00 99.99 O ATOM 389 CB LEU A 46 -7.554 10.822 -15.580 1.00 99.99 C ATOM 390 CG LEU A 46 -8.314 10.436 -14.287 1.00 99.99 C ATOM 391 CD1 LEU A 46 -8.337 11.661 -13.352 1.00 99.99 C ATOM 392 CD2 LEU A 46 -9.742 9.942 -14.547 1.00 99.99 C ATOM 0 H LEU A 46 -6.076 8.863 -15.008 1.00 99.99 H new ATOM 0 HA LEU A 46 -8.128 9.197 -16.872 1.00 99.99 H new ATOM 0 HB2 LEU A 46 -6.625 11.313 -15.291 1.00 99.99 H new ATOM 0 HB3 LEU A 46 -8.152 11.560 -16.114 1.00 99.99 H new ATOM 0 HG LEU A 46 -7.787 9.600 -13.827 1.00 99.99 H new ATOM 0 HD11 LEU A 46 -8.869 11.409 -12.435 1.00 99.99 H new ATOM 0 HD12 LEU A 46 -7.315 11.954 -13.110 1.00 99.99 H new ATOM 0 HD13 LEU A 46 -8.843 12.489 -13.849 1.00 99.99 H new ATOM 0 HD21 LEU A 46 -10.217 9.689 -13.599 1.00 99.99 H new ATOM 0 HD22 LEU A 46 -10.314 10.727 -15.042 1.00 99.99 H new ATOM 0 HD23 LEU A 46 -9.711 9.059 -15.185 1.00 99.99 H new ATOM 405 N SER B 22 -10.395 0.514 18.941 1.00 99.99 N ATOM 406 CA SER B 22 -10.116 1.252 17.676 1.00 99.99 C ATOM 407 C SER B 22 -8.656 1.593 17.532 1.00 99.99 C ATOM 408 O SER B 22 -7.859 1.398 18.450 1.00 99.99 O ATOM 409 CB SER B 22 -11.005 2.532 17.557 1.00 99.99 C ATOM 410 OG SER B 22 -10.753 3.489 18.584 1.00 99.99 O ATOM 0 HA SER B 22 -10.375 0.584 16.855 1.00 99.99 H new ATOM 0 HB2 SER B 22 -10.833 2.997 16.586 1.00 99.99 H new ATOM 0 HB3 SER B 22 -12.055 2.241 17.590 1.00 99.99 H new ATOM 0 HG SER B 22 -11.336 4.266 18.457 1.00 99.99 H new ATOM 415 N SER B 23 -8.284 2.126 16.343 1.00 99.99 N ATOM 416 CA SER B 23 -6.954 2.611 16.058 1.00 99.99 C ATOM 417 C SER B 23 -7.130 4.040 15.611 1.00 99.99 C ATOM 418 O SER B 23 -8.186 4.635 15.823 1.00 99.99 O ATOM 419 CB SER B 23 -6.231 1.773 14.976 1.00 99.99 C ATOM 420 OG SER B 23 -6.049 0.437 15.428 1.00 99.99 O ATOM 0 H SER B 23 -8.926 2.223 15.556 1.00 99.99 H new ATOM 0 HA SER B 23 -6.322 2.533 16.942 1.00 99.99 H new ATOM 0 HB2 SER B 23 -6.813 1.776 14.054 1.00 99.99 H new ATOM 0 HB3 SER B 23 -5.265 2.221 14.745 1.00 99.99 H new ATOM 0 HG SER B 23 -5.592 -0.084 14.735 1.00 99.99 H new ATOM 426 N ASP B 24 -6.075 4.641 15.002 1.00 99.99 N ATOM 427 CA ASP B 24 -6.040 6.048 14.648 1.00 99.99 C ATOM 428 C ASP B 24 -6.643 6.214 13.270 1.00 99.99 C ATOM 429 O ASP B 24 -6.576 5.269 12.492 1.00 99.99 O ATOM 430 CB ASP B 24 -4.589 6.607 14.617 1.00 99.99 C ATOM 431 CG ASP B 24 -3.925 6.526 15.995 1.00 99.99 C ATOM 432 OD1 ASP B 24 -4.650 6.436 17.022 1.00 99.99 O ATOM 433 OD2 ASP B 24 -2.666 6.565 16.034 1.00 99.99 O ATOM 0 H ASP B 24 -5.224 4.139 14.748 1.00 99.99 H new ATOM 0 HA ASP B 24 -6.601 6.598 15.403 1.00 99.99 H new ATOM 0 HB2 ASP B 24 -3.997 6.046 13.894 1.00 99.99 H new ATOM 0 HB3 ASP B 24 -4.605 7.644 14.280 1.00 99.99 H new ATOM 438 N PRO B 25 -7.258 7.340 12.900 1.00 99.99 N ATOM 439 CA PRO B 25 -8.142 7.410 11.746 1.00 99.99 C ATOM 440 C PRO B 25 -7.396 7.404 10.431 1.00 99.99 C ATOM 441 O PRO B 25 -7.998 6.996 9.450 1.00 99.99 O ATOM 442 CB PRO B 25 -8.918 8.725 11.929 1.00 99.99 C ATOM 443 CG PRO B 25 -8.017 9.575 12.827 1.00 99.99 C ATOM 444 CD PRO B 25 -7.379 8.530 13.739 1.00 99.99 C ATOM 0 HA PRO B 25 -8.791 6.536 11.700 1.00 99.99 H new ATOM 0 HB2 PRO B 25 -9.102 9.215 10.973 1.00 99.99 H new ATOM 0 HB3 PRO B 25 -9.890 8.552 12.391 1.00 99.99 H new ATOM 0 HG2 PRO B 25 -7.270 10.122 12.251 1.00 99.99 H new ATOM 0 HG3 PRO B 25 -8.587 10.313 13.392 1.00 99.99 H new ATOM 0 HD2 PRO B 25 -6.406 8.861 14.102 1.00 99.99 H new ATOM 0 HD3 PRO B 25 -7.998 8.337 14.615 1.00 99.99 H new ATOM 452 N LEU B 26 -6.121 7.855 10.392 1.00 99.99 N ATOM 453 CA LEU B 26 -5.199 7.821 9.264 1.00 99.99 C ATOM 454 C LEU B 26 -4.752 6.387 9.021 1.00 99.99 C ATOM 455 O LEU B 26 -4.690 5.977 7.890 1.00 99.99 O ATOM 456 CB LEU B 26 -3.922 8.636 9.509 1.00 99.99 C ATOM 457 CG LEU B 26 -2.796 8.478 8.462 1.00 99.99 C ATOM 458 CD1 LEU B 26 -3.202 8.985 7.076 1.00 99.99 C ATOM 459 CD2 LEU B 26 -1.520 9.182 8.943 1.00 99.99 C ATOM 0 H LEU B 26 -5.692 8.280 11.214 1.00 99.99 H new ATOM 0 HA LEU B 26 -5.739 8.245 8.417 1.00 99.99 H new ATOM 0 HB2 LEU B 26 -4.194 9.690 9.562 1.00 99.99 H new ATOM 0 HB3 LEU B 26 -3.522 8.360 10.485 1.00 99.99 H new ATOM 0 HG LEU B 26 -2.602 7.410 8.360 1.00 99.99 H new ATOM 0 HD11 LEU B 26 -2.373 8.849 6.382 1.00 99.99 H new ATOM 0 HD12 LEU B 26 -4.067 8.424 6.722 1.00 99.99 H new ATOM 0 HD13 LEU B 26 -3.456 10.043 7.136 1.00 99.99 H new ATOM 0 HD21 LEU B 26 -0.735 9.063 8.196 1.00 99.99 H new ATOM 0 HD22 LEU B 26 -1.723 10.243 9.090 1.00 99.99 H new ATOM 0 HD23 LEU B 26 -1.194 8.741 9.885 1.00 99.99 H new ATOM 471 N VAL B 27 -4.461 5.707 10.044 1.00 99.99 N ATOM 472 CA VAL B 27 -3.995 4.327 9.958 1.00 99.99 C ATOM 473 C VAL B 27 -5.112 3.452 9.408 1.00 99.99 C ATOM 474 O VAL B 27 -4.858 2.660 8.536 1.00 99.99 O ATOM 475 CB VAL B 27 -3.616 3.739 11.323 1.00 99.99 C ATOM 476 CG1 VAL B 27 -3.248 2.248 11.192 1.00 99.99 C ATOM 477 CG2 VAL B 27 -2.413 4.515 11.903 1.00 99.99 C ATOM 0 H VAL B 27 -4.528 6.065 10.997 1.00 99.99 H new ATOM 0 HA VAL B 27 -3.114 4.341 9.316 1.00 99.99 H new ATOM 0 HB VAL B 27 -4.473 3.830 11.990 1.00 99.99 H new ATOM 0 HG11 VAL B 27 -2.983 1.851 12.172 1.00 99.99 H new ATOM 0 HG12 VAL B 27 -4.101 1.696 10.796 1.00 99.99 H new ATOM 0 HG13 VAL B 27 -2.400 2.141 10.515 1.00 99.99 H new ATOM 0 HG21 VAL B 27 -2.144 4.097 12.873 1.00 99.99 H new ATOM 0 HG22 VAL B 27 -1.565 4.431 11.224 1.00 99.99 H new ATOM 0 HG23 VAL B 27 -2.680 5.565 12.022 1.00 99.99 H new ATOM 487 N VAL B 28 -6.256 3.610 9.917 1.00 99.99 N ATOM 488 CA VAL B 28 -7.411 2.820 9.505 1.00 99.99 C ATOM 489 C VAL B 28 -7.805 3.209 8.089 1.00 99.99 C ATOM 490 O VAL B 28 -8.087 2.341 7.300 1.00 99.99 O ATOM 491 CB VAL B 28 -8.645 3.064 10.383 1.00 99.99 C ATOM 492 CG1 VAL B 28 -9.888 2.351 9.812 1.00 99.99 C ATOM 493 CG2 VAL B 28 -8.367 2.578 11.819 1.00 99.99 C ATOM 0 H VAL B 28 -6.459 4.293 10.646 1.00 99.99 H new ATOM 0 HA VAL B 28 -7.114 1.775 9.589 1.00 99.99 H new ATOM 0 HB VAL B 28 -8.850 4.135 10.395 1.00 99.99 H new ATOM 0 HG11 VAL B 28 -10.746 2.543 10.457 1.00 99.99 H new ATOM 0 HG12 VAL B 28 -10.095 2.727 8.810 1.00 99.99 H new ATOM 0 HG13 VAL B 28 -9.702 1.278 9.765 1.00 99.99 H new ATOM 0 HG21 VAL B 28 -9.246 2.753 12.439 1.00 99.99 H new ATOM 0 HG22 VAL B 28 -8.140 1.512 11.805 1.00 99.99 H new ATOM 0 HG23 VAL B 28 -7.518 3.124 12.230 1.00 99.99 H new ATOM 503 N ALA B 29 -7.820 4.442 7.825 1.00 99.99 N ATOM 504 CA ALA B 29 -8.206 4.957 6.515 1.00 99.99 C ATOM 505 C ALA B 29 -7.243 4.425 5.464 1.00 99.99 C ATOM 506 O ALA B 29 -7.686 4.043 4.408 1.00 99.99 O ATOM 507 CB ALA B 29 -8.136 6.487 6.431 1.00 99.99 C ATOM 0 H ALA B 29 -7.567 5.166 8.498 1.00 99.99 H new ATOM 0 HA ALA B 29 -9.234 4.635 6.349 1.00 99.99 H new ATOM 0 HB1 ALA B 29 -8.434 6.811 5.434 1.00 99.99 H new ATOM 0 HB2 ALA B 29 -8.808 6.923 7.170 1.00 99.99 H new ATOM 0 HB3 ALA B 29 -7.116 6.816 6.629 1.00 99.99 H new ATOM 513 N ALA B 30 -6.019 4.424 5.766 1.00 99.99 N ATOM 514 CA ALA B 30 -4.987 3.966 4.844 1.00 99.99 C ATOM 515 C ALA B 30 -5.202 2.492 4.537 1.00 99.99 C ATOM 516 O ALA B 30 -4.955 2.084 3.428 1.00 99.99 O ATOM 517 CB ALA B 30 -3.572 4.082 5.427 1.00 99.99 C ATOM 0 H ALA B 30 -5.661 4.740 6.667 1.00 99.99 H new ATOM 0 HA ALA B 30 -5.066 4.598 3.960 1.00 99.99 H new ATOM 0 HB1 ALA B 30 -2.847 3.726 4.695 1.00 99.99 H new ATOM 0 HB2 ALA B 30 -3.362 5.124 5.669 1.00 99.99 H new ATOM 0 HB3 ALA B 30 -3.501 3.478 6.332 1.00 99.99 H new ATOM 523 N SER B 31 -5.634 1.777 5.480 1.00 99.99 N ATOM 524 CA SER B 31 -5.863 0.344 5.333 1.00 99.99 C ATOM 525 C SER B 31 -6.928 0.112 4.271 1.00 99.99 C ATOM 526 O SER B 31 -6.736 -0.721 3.421 1.00 99.99 O ATOM 527 CB SER B 31 -6.380 -0.315 6.618 1.00 99.99 C ATOM 528 OG SER B 31 -5.391 -0.267 7.645 1.00 99.99 O ATOM 0 H SER B 31 -5.854 2.140 6.407 1.00 99.99 H new ATOM 0 HA SER B 31 -4.900 -0.094 5.070 1.00 99.99 H new ATOM 0 HB2 SER B 31 -7.284 0.192 6.954 1.00 99.99 H new ATOM 0 HB3 SER B 31 -6.652 -1.351 6.417 1.00 99.99 H new ATOM 0 HG SER B 31 -5.250 0.663 7.920 1.00 99.99 H new ATOM 534 N ILE B 32 -7.972 0.816 4.356 1.00 99.99 N ATOM 535 CA ILE B 32 -9.083 0.680 3.422 1.00 99.99 C ATOM 536 C ILE B 32 -8.623 1.076 2.027 1.00 99.99 C ATOM 537 O ILE B 32 -9.036 0.463 1.077 1.00 99.99 O ATOM 538 CB ILE B 32 -10.266 1.596 3.764 1.00 99.99 C ATOM 539 CG1 ILE B 32 -10.895 1.173 5.110 1.00 99.99 C ATOM 540 CG2 ILE B 32 -11.331 1.559 2.649 1.00 99.99 C ATOM 541 CD1 ILE B 32 -11.837 2.235 5.693 1.00 99.99 C ATOM 0 H ILE B 32 -8.117 1.525 5.075 1.00 99.99 H new ATOM 0 HA ILE B 32 -9.404 -0.360 3.480 1.00 99.99 H new ATOM 0 HB ILE B 32 -9.893 2.617 3.849 1.00 99.99 H new ATOM 0 HG12 ILE B 32 -11.447 0.243 4.970 1.00 99.99 H new ATOM 0 HG13 ILE B 32 -10.100 0.967 5.827 1.00 99.99 H new ATOM 0 HG21 ILE B 32 -12.159 2.216 2.915 1.00 99.99 H new ATOM 0 HG22 ILE B 32 -10.888 1.895 1.711 1.00 99.99 H new ATOM 0 HG23 ILE B 32 -11.700 0.540 2.532 1.00 99.99 H new ATOM 0 HD11 ILE B 32 -12.247 1.879 6.638 1.00 99.99 H new ATOM 0 HD12 ILE B 32 -11.283 3.159 5.863 1.00 99.99 H new ATOM 0 HD13 ILE B 32 -12.651 2.423 4.993 1.00 99.99 H new ATOM 553 N ILE B 33 -7.822 2.048 1.954 1.00 99.99 N ATOM 554 CA ILE B 33 -7.320 2.554 0.682 1.00 99.99 C ATOM 555 C ILE B 33 -6.535 1.456 -0.023 1.00 99.99 C ATOM 556 O ILE B 33 -6.739 1.249 -1.191 1.00 99.99 O ATOM 557 CB ILE B 33 -6.353 3.735 0.845 1.00 99.99 C ATOM 558 CG1 ILE B 33 -7.184 5.032 1.014 1.00 99.99 C ATOM 559 CG2 ILE B 33 -5.379 3.858 -0.340 1.00 99.99 C ATOM 560 CD1 ILE B 33 -6.399 6.230 1.559 1.00 99.99 C ATOM 0 H ILE B 33 -7.468 2.549 2.769 1.00 99.99 H new ATOM 0 HA ILE B 33 -8.195 2.880 0.119 1.00 99.99 H new ATOM 0 HB ILE B 33 -5.739 3.565 1.729 1.00 99.99 H new ATOM 0 HG12 ILE B 33 -7.609 5.303 0.048 1.00 99.99 H new ATOM 0 HG13 ILE B 33 -8.019 4.827 1.684 1.00 99.99 H new ATOM 0 HG21 ILE B 33 -4.715 4.708 -0.179 1.00 99.99 H new ATOM 0 HG22 ILE B 33 -4.788 2.946 -0.421 1.00 99.99 H new ATOM 0 HG23 ILE B 33 -5.943 4.008 -1.261 1.00 99.99 H new ATOM 0 HD11 ILE B 33 -7.062 7.091 1.643 1.00 99.99 H new ATOM 0 HD12 ILE B 33 -5.996 5.984 2.542 1.00 99.99 H new ATOM 0 HD13 ILE B 33 -5.580 6.468 0.880 1.00 99.99 H new ATOM 572 N GLY B 34 -5.704 0.818 0.680 1.00 99.99 N ATOM 573 CA GLY B 34 -4.868 -0.244 0.128 1.00 99.99 C ATOM 574 C GLY B 34 -5.747 -1.413 -0.285 1.00 99.99 C ATOM 575 O GLY B 34 -5.459 -2.041 -1.273 1.00 99.99 O ATOM 0 H GLY B 34 -5.554 0.992 1.674 1.00 99.99 H new ATOM 0 HA2 GLY B 34 -4.309 0.127 -0.731 1.00 99.99 H new ATOM 0 HA3 GLY B 34 -4.136 -0.568 0.868 1.00 99.99 H new ATOM 579 N ILE B 35 -7.024 -1.354 0.057 1.00 99.99 N ATOM 580 CA ILE B 35 -7.895 -2.405 -0.463 1.00 99.99 C ATOM 581 C ILE B 35 -8.595 -1.905 -1.717 1.00 99.99 C ATOM 582 O ILE B 35 -8.621 -2.612 -2.692 1.00 99.99 O ATOM 583 CB ILE B 35 -9.002 -2.803 0.521 1.00 99.99 C ATOM 584 CG1 ILE B 35 -8.386 -3.318 1.846 1.00 99.99 C ATOM 585 CG2 ILE B 35 -9.901 -3.887 -0.112 1.00 99.99 C ATOM 586 CD1 ILE B 35 -9.375 -3.448 3.009 1.00 99.99 C ATOM 0 H ILE B 35 -7.461 -0.647 0.648 1.00 99.99 H new ATOM 0 HA ILE B 35 -7.255 -3.267 -0.652 1.00 99.99 H new ATOM 0 HB ILE B 35 -9.610 -1.926 0.743 1.00 99.99 H new ATOM 0 HG12 ILE B 35 -7.931 -4.292 1.664 1.00 99.99 H new ATOM 0 HG13 ILE B 35 -7.584 -2.642 2.144 1.00 99.99 H new ATOM 0 HG21 ILE B 35 -10.685 -4.166 0.592 1.00 99.99 H new ATOM 0 HG22 ILE B 35 -10.353 -3.498 -1.024 1.00 99.99 H new ATOM 0 HG23 ILE B 35 -9.300 -4.764 -0.351 1.00 99.99 H new ATOM 0 HD11 ILE B 35 -8.852 -3.815 3.892 1.00 99.99 H new ATOM 0 HD12 ILE B 35 -9.813 -2.473 3.225 1.00 99.99 H new ATOM 0 HD13 ILE B 35 -10.165 -4.148 2.738 1.00 99.99 H new ATOM 598 N LEU B 36 -9.117 -0.758 -1.653 1.00 99.99 N ATOM 599 CA LEU B 36 -9.843 -0.168 -2.772 1.00 99.99 C ATOM 600 C LEU B 36 -8.917 -0.070 -3.976 1.00 99.99 C ATOM 601 O LEU B 36 -9.340 -0.366 -5.064 1.00 99.99 O ATOM 602 CB LEU B 36 -10.327 1.259 -2.483 1.00 99.99 C ATOM 603 CG LEU B 36 -10.987 1.990 -3.671 1.00 99.99 C ATOM 604 CD1 LEU B 36 -12.269 1.274 -4.120 1.00 99.99 C ATOM 605 CD2 LEU B 36 -11.273 3.457 -3.325 1.00 99.99 C ATOM 0 H LEU B 36 -9.072 -0.163 -0.826 1.00 99.99 H new ATOM 0 HA LEU B 36 -10.705 -0.811 -2.951 1.00 99.99 H new ATOM 0 HB2 LEU B 36 -11.041 1.222 -1.660 1.00 99.99 H new ATOM 0 HB3 LEU B 36 -9.477 1.850 -2.142 1.00 99.99 H new ATOM 0 HG LEU B 36 -10.284 1.971 -4.504 1.00 99.99 H new ATOM 0 HD11 LEU B 36 -12.712 1.812 -4.958 1.00 99.99 H new ATOM 0 HD12 LEU B 36 -12.029 0.256 -4.428 1.00 99.99 H new ATOM 0 HD13 LEU B 36 -12.978 1.245 -3.293 1.00 99.99 H new ATOM 0 HD21 LEU B 36 -11.738 3.948 -4.180 1.00 99.99 H new ATOM 0 HD22 LEU B 36 -11.946 3.504 -2.469 1.00 99.99 H new ATOM 0 HD23 LEU B 36 -10.339 3.962 -3.080 1.00 99.99 H new ATOM 617 N HIS B 37 -7.651 0.368 -3.782 1.00 99.99 N ATOM 618 CA HIS B 37 -6.674 0.561 -4.827 1.00 99.99 C ATOM 619 C HIS B 37 -6.370 -0.750 -5.501 1.00 99.99 C ATOM 620 O HIS B 37 -6.032 -0.785 -6.683 1.00 99.99 O ATOM 621 CB HIS B 37 -5.360 1.157 -4.269 1.00 99.99 C ATOM 622 CG HIS B 37 -4.366 1.561 -5.327 1.00 99.99 C ATOM 623 ND1 HIS B 37 -3.048 1.799 -5.044 1.00 99.99 N ATOM 624 CD2 HIS B 37 -4.541 1.813 -6.646 1.00 99.99 C ATOM 625 CE1 HIS B 37 -2.442 2.174 -6.163 1.00 99.99 C ATOM 626 NE2 HIS B 37 -3.326 2.190 -7.150 1.00 99.99 N ATOM 0 H HIS B 37 -7.291 0.598 -2.856 1.00 99.99 H new ATOM 0 HA HIS B 37 -7.097 1.261 -5.547 1.00 99.99 H new ATOM 0 HB2 HIS B 37 -5.600 2.029 -3.660 1.00 99.99 H new ATOM 0 HB3 HIS B 37 -4.894 0.425 -3.609 1.00 99.99 H new ATOM 0 HD2 HIS B 37 -5.466 1.732 -7.197 1.00 99.99 H new ATOM 0 HE1 HIS B 37 -1.396 2.426 -6.255 1.00 99.99 H new ATOM 0 HE2 HIS B 37 -3.134 2.441 -8.120 1.00 99.99 H new ATOM 634 N LEU B 38 -6.528 -1.868 -4.752 1.00 99.99 N ATOM 635 CA LEU B 38 -6.289 -3.212 -5.264 1.00 99.99 C ATOM 636 C LEU B 38 -7.408 -3.592 -6.222 1.00 99.99 C ATOM 637 O LEU B 38 -7.131 -4.131 -7.263 1.00 99.99 O ATOM 638 CB LEU B 38 -6.282 -4.281 -4.162 1.00 99.99 C ATOM 639 CG LEU B 38 -6.054 -5.716 -4.696 1.00 99.99 C ATOM 640 CD1 LEU B 38 -4.719 -5.841 -5.442 1.00 99.99 C ATOM 641 CD2 LEU B 38 -6.146 -6.765 -3.587 1.00 99.99 C ATOM 0 H LEU B 38 -6.825 -1.848 -3.777 1.00 99.99 H new ATOM 0 HA LEU B 38 -5.311 -3.186 -5.744 1.00 99.99 H new ATOM 0 HB2 LEU B 38 -5.501 -4.042 -3.440 1.00 99.99 H new ATOM 0 HB3 LEU B 38 -7.231 -4.247 -3.628 1.00 99.99 H new ATOM 0 HG LEU B 38 -6.859 -5.910 -5.405 1.00 99.99 H new ATOM 0 HD11 LEU B 38 -4.597 -6.863 -5.801 1.00 99.99 H new ATOM 0 HD12 LEU B 38 -4.710 -5.155 -6.289 1.00 99.99 H new ATOM 0 HD13 LEU B 38 -3.900 -5.593 -4.766 1.00 99.99 H new ATOM 0 HD21 LEU B 38 -5.979 -7.756 -4.009 1.00 99.99 H new ATOM 0 HD22 LEU B 38 -5.389 -6.561 -2.830 1.00 99.99 H new ATOM 0 HD23 LEU B 38 -7.135 -6.726 -3.131 1.00 99.99 H new ATOM 653 N ILE B 39 -8.582 -3.317 -5.855 1.00 99.99 N ATOM 654 CA ILE B 39 -9.752 -3.649 -6.661 1.00 99.99 C ATOM 655 C ILE B 39 -9.730 -2.824 -7.939 1.00 99.99 C ATOM 656 O ILE B 39 -9.997 -3.359 -8.986 1.00 99.99 O ATOM 657 CB ILE B 39 -11.076 -3.321 -5.957 1.00 99.99 C ATOM 658 CG1 ILE B 39 -11.266 -4.251 -4.738 1.00 99.99 C ATOM 659 CG2 ILE B 39 -12.256 -3.471 -6.940 1.00 99.99 C ATOM 660 CD1 ILE B 39 -12.471 -3.883 -3.861 1.00 99.99 C ATOM 0 H ILE B 39 -8.802 -2.847 -4.977 1.00 99.99 H new ATOM 0 HA ILE B 39 -9.702 -4.722 -6.848 1.00 99.99 H new ATOM 0 HB ILE B 39 -11.048 -2.288 -5.610 1.00 99.99 H new ATOM 0 HG12 ILE B 39 -11.384 -5.276 -5.089 1.00 99.99 H new ATOM 0 HG13 ILE B 39 -10.363 -4.225 -4.128 1.00 99.99 H new ATOM 0 HG21 ILE B 39 -13.189 -3.235 -6.427 1.00 99.99 H new ATOM 0 HG22 ILE B 39 -12.120 -2.788 -7.778 1.00 99.99 H new ATOM 0 HG23 ILE B 39 -12.294 -4.496 -7.309 1.00 99.99 H new ATOM 0 HD11 ILE B 39 -12.540 -4.580 -3.026 1.00 99.99 H new ATOM 0 HD12 ILE B 39 -12.347 -2.870 -3.479 1.00 99.99 H new ATOM 0 HD13 ILE B 39 -13.383 -3.938 -4.455 1.00 99.99 H new ATOM 672 N LEU B 40 -9.437 -1.604 -7.819 1.00 99.99 N ATOM 673 CA LEU B 40 -9.403 -0.692 -8.956 1.00 99.99 C ATOM 674 C LEU B 40 -8.386 -1.190 -9.972 1.00 99.99 C ATOM 675 O LEU B 40 -8.678 -1.191 -11.141 1.00 99.99 O ATOM 676 CB LEU B 40 -8.970 0.728 -8.571 1.00 99.99 C ATOM 677 CG LEU B 40 -9.994 1.535 -7.742 1.00 99.99 C ATOM 678 CD1 LEU B 40 -9.379 2.889 -7.335 1.00 99.99 C ATOM 679 CD2 LEU B 40 -11.308 1.765 -8.501 1.00 99.99 C ATOM 0 H LEU B 40 -9.204 -1.166 -6.928 1.00 99.99 H new ATOM 0 HA LEU B 40 -10.418 -0.662 -9.353 1.00 99.99 H new ATOM 0 HB2 LEU B 40 -8.040 0.665 -8.005 1.00 99.99 H new ATOM 0 HB3 LEU B 40 -8.751 1.282 -9.484 1.00 99.99 H new ATOM 0 HG LEU B 40 -10.232 0.950 -6.854 1.00 99.99 H new ATOM 0 HD11 LEU B 40 -10.103 3.456 -6.750 1.00 99.99 H new ATOM 0 HD12 LEU B 40 -8.484 2.717 -6.737 1.00 99.99 H new ATOM 0 HD13 LEU B 40 -9.114 3.452 -8.230 1.00 99.99 H new ATOM 0 HD21 LEU B 40 -11.994 2.336 -7.876 1.00 99.99 H new ATOM 0 HD22 LEU B 40 -11.106 2.318 -9.418 1.00 99.99 H new ATOM 0 HD23 LEU B 40 -11.758 0.804 -8.749 1.00 99.99 H new ATOM 691 N TRP B 41 -7.274 -1.575 -9.516 1.00 99.99 N ATOM 692 CA TRP B 41 -6.198 -2.050 -10.377 1.00 99.99 C ATOM 693 C TRP B 41 -6.618 -3.361 -11.025 1.00 99.99 C ATOM 694 O TRP B 41 -6.369 -3.545 -12.190 1.00 99.99 O ATOM 695 CB TRP B 41 -4.902 -2.340 -9.609 1.00 99.99 C ATOM 696 CG TRP B 41 -3.734 -2.735 -10.495 1.00 99.99 C ATOM 697 CD1 TRP B 41 -2.958 -1.908 -11.247 1.00 99.99 C ATOM 698 CD2 TRP B 41 -3.307 -4.077 -10.784 1.00 99.99 C ATOM 699 NE1 TRP B 41 -2.018 -2.630 -11.926 1.00 99.99 N ATOM 700 CE2 TRP B 41 -2.237 -3.966 -11.692 1.00 99.99 C ATOM 701 CE3 TRP B 41 -3.754 -5.321 -10.327 1.00 99.99 C ATOM 702 CZ2 TRP B 41 -1.577 -5.096 -12.151 1.00 99.99 C ATOM 703 CZ3 TRP B 41 -3.095 -6.455 -10.804 1.00 99.99 C ATOM 704 CH2 TRP B 41 -2.019 -6.352 -11.703 1.00 99.99 C ATOM 0 H TRP B 41 -7.045 -1.583 -8.522 1.00 99.99 H new ATOM 0 HA TRP B 41 -6.013 -1.259 -11.103 1.00 99.99 H new ATOM 0 HB2 TRP B 41 -4.626 -1.455 -9.035 1.00 99.99 H new ATOM 0 HB3 TRP B 41 -5.088 -3.140 -8.892 1.00 99.99 H new ATOM 0 HD1 TRP B 41 -3.069 -0.835 -11.299 1.00 99.99 H new ATOM 0 HE1 TRP B 41 -1.277 -2.242 -12.510 1.00 99.99 H new ATOM 0 HE3 TRP B 41 -4.577 -5.401 -9.632 1.00 99.99 H new ATOM 0 HZ2 TRP B 41 -0.745 -5.013 -12.835 1.00 99.99 H new ATOM 0 HZ3 TRP B 41 -3.418 -7.432 -10.476 1.00 99.99 H new ATOM 0 HH2 TRP B 41 -1.527 -7.248 -12.053 1.00 99.99 H new ATOM 715 N ILE B 42 -7.203 -4.196 -10.281 1.00 99.99 N ATOM 716 CA ILE B 42 -7.636 -5.504 -10.764 1.00 99.99 C ATOM 717 C ILE B 42 -8.730 -5.317 -11.804 1.00 99.99 C ATOM 718 O ILE B 42 -8.707 -5.990 -12.804 1.00 99.99 O ATOM 719 CB ILE B 42 -8.236 -6.379 -9.658 1.00 99.99 C ATOM 720 CG1 ILE B 42 -7.124 -6.851 -8.691 1.00 99.99 C ATOM 721 CG2 ILE B 42 -8.973 -7.596 -10.258 1.00 99.99 C ATOM 722 CD1 ILE B 42 -7.650 -7.657 -7.494 1.00 99.99 C ATOM 0 H ILE B 42 -7.416 -4.024 -9.298 1.00 99.99 H new ATOM 0 HA ILE B 42 -6.748 -5.992 -11.166 1.00 99.99 H new ATOM 0 HB ILE B 42 -8.960 -5.782 -9.103 1.00 99.99 H new ATOM 0 HG12 ILE B 42 -6.409 -7.461 -9.243 1.00 99.99 H new ATOM 0 HG13 ILE B 42 -6.582 -5.980 -8.322 1.00 99.99 H new ATOM 0 HG21 ILE B 42 -9.390 -8.202 -9.453 1.00 99.99 H new ATOM 0 HG22 ILE B 42 -9.778 -7.250 -10.907 1.00 99.99 H new ATOM 0 HG23 ILE B 42 -8.272 -8.196 -10.838 1.00 99.99 H new ATOM 0 HD11 ILE B 42 -6.815 -7.954 -6.860 1.00 99.99 H new ATOM 0 HD12 ILE B 42 -8.342 -7.043 -6.918 1.00 99.99 H new ATOM 0 HD13 ILE B 42 -8.167 -8.547 -7.853 1.00 99.99 H new ATOM 734 N LEU B 43 -9.617 -4.458 -11.545 1.00 99.99 N ATOM 735 CA LEU B 43 -10.736 -4.197 -12.442 1.00 99.99 C ATOM 736 C LEU B 43 -10.212 -3.614 -13.746 1.00 99.99 C ATOM 737 O LEU B 43 -10.757 -3.908 -14.780 1.00 99.99 O ATOM 738 CB LEU B 43 -11.727 -3.172 -11.876 1.00 99.99 C ATOM 739 CG LEU B 43 -12.544 -3.675 -10.663 1.00 99.99 C ATOM 740 CD1 LEU B 43 -13.300 -2.505 -10.008 1.00 99.99 C ATOM 741 CD2 LEU B 43 -13.531 -4.786 -11.054 1.00 99.99 C ATOM 0 H LEU B 43 -9.620 -3.887 -10.700 1.00 99.99 H new ATOM 0 HA LEU B 43 -11.245 -5.151 -12.581 1.00 99.99 H new ATOM 0 HB2 LEU B 43 -11.178 -2.277 -11.583 1.00 99.99 H new ATOM 0 HB3 LEU B 43 -12.417 -2.877 -12.666 1.00 99.99 H new ATOM 0 HG LEU B 43 -11.838 -4.098 -9.948 1.00 99.99 H new ATOM 0 HD11 LEU B 43 -13.871 -2.873 -9.156 1.00 99.99 H new ATOM 0 HD12 LEU B 43 -12.586 -1.754 -9.670 1.00 99.99 H new ATOM 0 HD13 LEU B 43 -13.979 -2.059 -10.734 1.00 99.99 H new ATOM 0 HD21 LEU B 43 -14.083 -5.109 -10.172 1.00 99.99 H new ATOM 0 HD22 LEU B 43 -14.229 -4.406 -11.800 1.00 99.99 H new ATOM 0 HD23 LEU B 43 -12.982 -5.632 -11.468 1.00 99.99 H new ATOM 753 N ASP B 44 -9.225 -2.833 -13.658 1.00 99.99 N ATOM 754 CA ASP B 44 -8.639 -2.183 -14.822 1.00 99.99 C ATOM 755 C ASP B 44 -7.971 -3.231 -15.703 1.00 99.99 C ATOM 756 O ASP B 44 -8.087 -3.151 -16.900 1.00 99.99 O ATOM 757 CB ASP B 44 -7.548 -1.167 -14.456 1.00 99.99 C ATOM 758 CG ASP B 44 -6.999 -0.422 -15.688 1.00 99.99 C ATOM 759 OD1 ASP B 44 -7.765 0.357 -16.303 1.00 99.99 O ATOM 760 OD2 ASP B 44 -5.784 -0.577 -16.013 1.00 99.99 O ATOM 0 H ASP B 44 -8.767 -2.600 -12.777 1.00 99.99 H new ATOM 0 HA ASP B 44 -9.456 -1.666 -15.325 1.00 99.99 H new ATOM 0 HB2 ASP B 44 -7.952 -0.443 -13.748 1.00 99.99 H new ATOM 0 HB3 ASP B 44 -6.730 -1.682 -13.953 1.00 99.99 H new ATOM 765 N ARG B 45 -7.319 -4.133 -15.110 1.00 99.99 N ATOM 766 CA ARG B 45 -6.610 -5.186 -15.828 1.00 99.99 C ATOM 767 C ARG B 45 -7.612 -6.044 -16.586 1.00 99.99 C ATOM 768 O ARG B 45 -7.365 -6.369 -17.719 1.00 99.99 O ATOM 769 CB ARG B 45 -5.848 -6.136 -14.895 1.00 99.99 C ATOM 770 CG ARG B 45 -4.694 -5.458 -14.128 1.00 99.99 C ATOM 771 CD ARG B 45 -3.460 -5.195 -15.002 1.00 99.99 C ATOM 772 NE ARG B 45 -3.555 -3.798 -15.558 1.00 99.99 N ATOM 773 CZ ARG B 45 -2.880 -3.440 -16.667 1.00 99.99 C ATOM 774 NH1 ARG B 45 -2.076 -4.303 -17.311 1.00 99.99 N ATOM 775 NH2 ARG B 45 -3.002 -2.177 -17.106 1.00 99.99 N ATOM 0 H ARG B 45 -7.238 -4.195 -14.095 1.00 99.99 H new ATOM 0 HA ARG B 45 -5.902 -4.682 -16.486 1.00 99.99 H new ATOM 0 HB2 ARG B 45 -6.547 -6.564 -14.177 1.00 99.99 H new ATOM 0 HB3 ARG B 45 -5.447 -6.963 -15.481 1.00 99.99 H new ATOM 0 HG2 ARG B 45 -5.047 -4.513 -13.715 1.00 99.99 H new ATOM 0 HG3 ARG B 45 -4.407 -6.087 -13.285 1.00 99.99 H new ATOM 0 HD2 ARG B 45 -2.549 -5.307 -14.414 1.00 99.99 H new ATOM 0 HD3 ARG B 45 -3.408 -5.922 -15.812 1.00 99.99 H new ATOM 0 HE ARG B 45 -4.142 -3.110 -15.086 1.00 99.99 H new ATOM 0 HH11 ARG B 45 -1.966 -5.255 -16.962 1.00 99.99 H new ATOM 0 HH12 ARG B 45 -1.576 -4.006 -18.149 1.00 99.99 H new ATOM 0 HH21 ARG B 45 -3.594 -1.517 -16.602 1.00 99.99 H new ATOM 0 HH22 ARG B 45 -2.502 -1.878 -17.943 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 -10.341 -6.464 -17.716 1.00 99.99 C ATOM 792 O LEU B 46 -11.019 -5.457 -17.520 1.00 99.99 O ATOM 793 CB LEU B 46 -10.822 -7.554 -15.580 1.00 99.99 C ATOM 794 CG LEU B 46 -10.436 -8.314 -14.287 1.00 99.99 C ATOM 795 CD1 LEU B 46 -11.661 -8.337 -13.352 1.00 99.99 C ATOM 796 CD2 LEU B 46 -9.942 -9.742 -14.547 1.00 99.99 C ATOM 0 H LEU B 46 -8.863 -6.076 -15.008 1.00 99.99 H new ATOM 0 HA LEU B 46 -9.197 -8.128 -16.872 1.00 99.99 H new ATOM 0 HB2 LEU B 46 -11.313 -6.625 -15.291 1.00 99.99 H new ATOM 0 HB3 LEU B 46 -11.560 -8.152 -16.114 1.00 99.99 H new ATOM 0 HG LEU B 46 -9.600 -7.787 -13.827 1.00 99.99 H new ATOM 0 HD11 LEU B 46 -11.409 -8.869 -12.435 1.00 99.99 H new ATOM 0 HD12 LEU B 46 -11.954 -7.315 -13.110 1.00 99.99 H new ATOM 0 HD13 LEU B 46 -12.489 -8.843 -13.849 1.00 99.99 H new ATOM 0 HD21 LEU B 46 -9.689 -10.217 -13.599 1.00 99.99 H new ATOM 0 HD22 LEU B 46 -10.727 -10.314 -15.042 1.00 99.99 H new ATOM 0 HD23 LEU B 46 -9.059 -9.711 -15.185 1.00 99.99 H new ATOM 809 N SER C 22 -0.514 -10.395 18.941 1.00 99.99 N ATOM 810 CA SER C 22 -1.252 -10.116 17.676 1.00 99.99 C ATOM 811 C SER C 22 -1.593 -8.656 17.532 1.00 99.99 C ATOM 812 O SER C 22 -1.398 -7.859 18.450 1.00 99.99 O ATOM 813 CB SER C 22 -2.532 -11.005 17.557 1.00 99.99 C ATOM 814 OG SER C 22 -3.489 -10.753 18.584 1.00 99.99 O ATOM 0 HA SER C 22 -0.584 -10.375 16.855 1.00 99.99 H new ATOM 0 HB2 SER C 22 -2.997 -10.833 16.586 1.00 99.99 H new ATOM 0 HB3 SER C 22 -2.241 -12.055 17.590 1.00 99.99 H new ATOM 0 HG SER C 22 -4.266 -11.336 18.457 1.00 99.99 H new ATOM 819 N SER C 23 -2.126 -8.284 16.343 1.00 99.99 N ATOM 820 CA SER C 23 -2.611 -6.954 16.058 1.00 99.99 C ATOM 821 C SER C 23 -4.040 -7.130 15.611 1.00 99.99 C ATOM 822 O SER C 23 -4.635 -8.186 15.823 1.00 99.99 O ATOM 823 CB SER C 23 -1.773 -6.231 14.976 1.00 99.99 C ATOM 824 OG SER C 23 -0.437 -6.049 15.428 1.00 99.99 O ATOM 0 H SER C 23 -2.223 -8.926 15.556 1.00 99.99 H new ATOM 0 HA SER C 23 -2.533 -6.322 16.942 1.00 99.99 H new ATOM 0 HB2 SER C 23 -1.776 -6.813 14.054 1.00 99.99 H new ATOM 0 HB3 SER C 23 -2.221 -5.265 14.745 1.00 99.99 H new ATOM 0 HG SER C 23 0.084 -5.592 14.735 1.00 99.99 H new ATOM 830 N ASP C 24 -4.641 -6.075 15.002 1.00 99.99 N ATOM 831 CA ASP C 24 -6.048 -6.040 14.648 1.00 99.99 C ATOM 832 C ASP C 24 -6.214 -6.643 13.270 1.00 99.99 C ATOM 833 O ASP C 24 -5.269 -6.576 12.492 1.00 99.99 O ATOM 834 CB ASP C 24 -6.607 -4.589 14.617 1.00 99.99 C ATOM 835 CG ASP C 24 -6.526 -3.925 15.995 1.00 99.99 C ATOM 836 OD1 ASP C 24 -6.436 -4.650 17.022 1.00 99.99 O ATOM 837 OD2 ASP C 24 -6.565 -2.666 16.034 1.00 99.99 O ATOM 0 H ASP C 24 -4.139 -5.224 14.748 1.00 99.99 H new ATOM 0 HA ASP C 24 -6.598 -6.601 15.403 1.00 99.99 H new ATOM 0 HB2 ASP C 24 -6.046 -3.997 13.894 1.00 99.99 H new ATOM 0 HB3 ASP C 24 -7.644 -4.605 14.280 1.00 99.99 H new ATOM 842 N PRO C 25 -7.340 -7.258 12.900 1.00 99.99 N ATOM 843 CA PRO C 25 -7.410 -8.142 11.746 1.00 99.99 C ATOM 844 C PRO C 25 -7.404 -7.396 10.431 1.00 99.99 C ATOM 845 O PRO C 25 -6.996 -7.998 9.450 1.00 99.99 O ATOM 846 CB PRO C 25 -8.725 -8.918 11.929 1.00 99.99 C ATOM 847 CG PRO C 25 -9.575 -8.017 12.827 1.00 99.99 C ATOM 848 CD PRO C 25 -8.530 -7.379 13.739 1.00 99.99 C ATOM 0 HA PRO C 25 -6.536 -8.791 11.700 1.00 99.99 H new ATOM 0 HB2 PRO C 25 -9.215 -9.102 10.973 1.00 99.99 H new ATOM 0 HB3 PRO C 25 -8.552 -9.890 12.391 1.00 99.99 H new ATOM 0 HG2 PRO C 25 -10.122 -7.270 12.251 1.00 99.99 H new ATOM 0 HG3 PRO C 25 -10.313 -8.587 13.392 1.00 99.99 H new ATOM 0 HD2 PRO C 25 -8.861 -6.406 14.102 1.00 99.99 H new ATOM 0 HD3 PRO C 25 -8.337 -7.998 14.615 1.00 99.99 H new ATOM 856 N LEU C 26 -7.855 -6.121 10.392 1.00 99.99 N ATOM 857 CA LEU C 26 -7.821 -5.199 9.264 1.00 99.99 C ATOM 858 C LEU C 26 -6.387 -4.752 9.021 1.00 99.99 C ATOM 859 O LEU C 26 -5.977 -4.690 7.890 1.00 99.99 O ATOM 860 CB LEU C 26 -8.636 -3.922 9.509 1.00 99.99 C ATOM 861 CG LEU C 26 -8.478 -2.796 8.462 1.00 99.99 C ATOM 862 CD1 LEU C 26 -8.985 -3.202 7.076 1.00 99.99 C ATOM 863 CD2 LEU C 26 -9.182 -1.520 8.943 1.00 99.99 C ATOM 0 H LEU C 26 -8.280 -5.692 11.214 1.00 99.99 H new ATOM 0 HA LEU C 26 -8.245 -5.739 8.417 1.00 99.99 H new ATOM 0 HB2 LEU C 26 -9.690 -4.194 9.562 1.00 99.99 H new ATOM 0 HB3 LEU C 26 -8.360 -3.522 10.485 1.00 99.99 H new ATOM 0 HG LEU C 26 -7.410 -2.602 8.360 1.00 99.99 H new ATOM 0 HD11 LEU C 26 -8.849 -2.373 6.382 1.00 99.99 H new ATOM 0 HD12 LEU C 26 -8.424 -4.067 6.722 1.00 99.99 H new ATOM 0 HD13 LEU C 26 -10.043 -3.456 7.136 1.00 99.99 H new ATOM 0 HD21 LEU C 26 -9.063 -0.735 8.196 1.00 99.99 H new ATOM 0 HD22 LEU C 26 -10.243 -1.723 9.090 1.00 99.99 H new ATOM 0 HD23 LEU C 26 -8.741 -1.194 9.885 1.00 99.99 H new ATOM 875 N VAL C 27 -5.707 -4.461 10.044 1.00 99.99 N ATOM 876 CA VAL C 27 -4.327 -3.995 9.958 1.00 99.99 C ATOM 877 C VAL C 27 -3.452 -5.112 9.408 1.00 99.99 C ATOM 878 O VAL C 27 -2.660 -4.858 8.536 1.00 99.99 O ATOM 879 CB VAL C 27 -3.739 -3.616 11.323 1.00 99.99 C ATOM 880 CG1 VAL C 27 -2.248 -3.248 11.192 1.00 99.99 C ATOM 881 CG2 VAL C 27 -4.515 -2.413 11.903 1.00 99.99 C ATOM 0 H VAL C 27 -6.065 -4.528 10.997 1.00 99.99 H new ATOM 0 HA VAL C 27 -4.341 -3.114 9.316 1.00 99.99 H new ATOM 0 HB VAL C 27 -3.830 -4.473 11.990 1.00 99.99 H new ATOM 0 HG11 VAL C 27 -1.851 -2.983 12.172 1.00 99.99 H new ATOM 0 HG12 VAL C 27 -1.696 -4.101 10.796 1.00 99.99 H new ATOM 0 HG13 VAL C 27 -2.141 -2.400 10.515 1.00 99.99 H new ATOM 0 HG21 VAL C 27 -4.097 -2.144 12.873 1.00 99.99 H new ATOM 0 HG22 VAL C 27 -4.431 -1.565 11.224 1.00 99.99 H new ATOM 0 HG23 VAL C 27 -5.565 -2.680 12.022 1.00 99.99 H new ATOM 891 N VAL C 28 -3.610 -6.256 9.917 1.00 99.99 N ATOM 892 CA VAL C 28 -2.820 -7.411 9.505 1.00 99.99 C ATOM 893 C VAL C 28 -3.209 -7.805 8.089 1.00 99.99 C ATOM 894 O VAL C 28 -2.341 -8.087 7.300 1.00 99.99 O ATOM 895 CB VAL C 28 -3.064 -8.645 10.383 1.00 99.99 C ATOM 896 CG1 VAL C 28 -2.351 -9.888 9.812 1.00 99.99 C ATOM 897 CG2 VAL C 28 -2.578 -8.367 11.819 1.00 99.99 C ATOM 0 H VAL C 28 -4.293 -6.459 10.646 1.00 99.99 H new ATOM 0 HA VAL C 28 -1.775 -7.114 9.589 1.00 99.99 H new ATOM 0 HB VAL C 28 -4.135 -8.850 10.395 1.00 99.99 H new ATOM 0 HG11 VAL C 28 -2.543 -10.746 10.457 1.00 99.99 H new ATOM 0 HG12 VAL C 28 -2.727 -10.095 8.810 1.00 99.99 H new ATOM 0 HG13 VAL C 28 -1.278 -9.702 9.765 1.00 99.99 H new ATOM 0 HG21 VAL C 28 -2.753 -9.246 12.439 1.00 99.99 H new ATOM 0 HG22 VAL C 28 -1.512 -8.140 11.805 1.00 99.99 H new ATOM 0 HG23 VAL C 28 -3.124 -7.518 12.230 1.00 99.99 H new ATOM 907 N ALA C 29 -4.442 -7.820 7.825 1.00 99.99 N ATOM 908 CA ALA C 29 -4.957 -8.206 6.515 1.00 99.99 C ATOM 909 C ALA C 29 -4.425 -7.243 5.464 1.00 99.99 C ATOM 910 O ALA C 29 -4.043 -7.686 4.408 1.00 99.99 O ATOM 911 CB ALA C 29 -6.487 -8.136 6.431 1.00 99.99 C ATOM 0 H ALA C 29 -5.166 -7.567 8.498 1.00 99.99 H new ATOM 0 HA ALA C 29 -4.635 -9.234 6.349 1.00 99.99 H new ATOM 0 HB1 ALA C 29 -6.811 -8.434 5.434 1.00 99.99 H new ATOM 0 HB2 ALA C 29 -6.923 -8.808 7.170 1.00 99.99 H new ATOM 0 HB3 ALA C 29 -6.816 -7.116 6.629 1.00 99.99 H new ATOM 917 N ALA C 30 -4.424 -6.019 5.766 1.00 99.99 N ATOM 918 CA ALA C 30 -3.966 -4.987 4.844 1.00 99.99 C ATOM 919 C ALA C 30 -2.492 -5.202 4.537 1.00 99.99 C ATOM 920 O ALA C 30 -2.084 -4.955 3.428 1.00 99.99 O ATOM 921 CB ALA C 30 -4.082 -3.572 5.427 1.00 99.99 C ATOM 0 H ALA C 30 -4.740 -5.661 6.667 1.00 99.99 H new ATOM 0 HA ALA C 30 -4.598 -5.066 3.960 1.00 99.99 H new ATOM 0 HB1 ALA C 30 -3.726 -2.847 4.695 1.00 99.99 H new ATOM 0 HB2 ALA C 30 -5.124 -3.362 5.669 1.00 99.99 H new ATOM 0 HB3 ALA C 30 -3.478 -3.501 6.332 1.00 99.99 H new ATOM 927 N SER C 31 -1.777 -5.634 5.480 1.00 99.99 N ATOM 928 CA SER C 31 -0.344 -5.863 5.333 1.00 99.99 C ATOM 929 C SER C 31 -0.112 -6.928 4.271 1.00 99.99 C ATOM 930 O SER C 31 0.721 -6.736 3.421 1.00 99.99 O ATOM 931 CB SER C 31 0.315 -6.380 6.618 1.00 99.99 C ATOM 932 OG SER C 31 0.267 -5.391 7.645 1.00 99.99 O ATOM 0 H SER C 31 -2.140 -5.854 6.407 1.00 99.99 H new ATOM 0 HA SER C 31 0.094 -4.900 5.070 1.00 99.99 H new ATOM 0 HB2 SER C 31 -0.192 -7.284 6.954 1.00 99.99 H new ATOM 0 HB3 SER C 31 1.351 -6.652 6.417 1.00 99.99 H new ATOM 0 HG SER C 31 -0.663 -5.250 7.920 1.00 99.99 H new ATOM 938 N ILE C 32 -0.816 -7.972 4.356 1.00 99.99 N ATOM 939 CA ILE C 32 -0.680 -9.083 3.422 1.00 99.99 C ATOM 940 C ILE C 32 -1.076 -8.623 2.027 1.00 99.99 C ATOM 941 O ILE C 32 -0.463 -9.036 1.077 1.00 99.99 O ATOM 942 CB ILE C 32 -1.596 -10.266 3.764 1.00 99.99 C ATOM 943 CG1 ILE C 32 -1.173 -10.895 5.110 1.00 99.99 C ATOM 944 CG2 ILE C 32 -1.559 -11.331 2.649 1.00 99.99 C ATOM 945 CD1 ILE C 32 -2.235 -11.837 5.693 1.00 99.99 C ATOM 0 H ILE C 32 -1.525 -8.117 5.075 1.00 99.99 H new ATOM 0 HA ILE C 32 0.360 -9.404 3.480 1.00 99.99 H new ATOM 0 HB ILE C 32 -2.617 -9.893 3.849 1.00 99.99 H new ATOM 0 HG12 ILE C 32 -0.243 -11.447 4.970 1.00 99.99 H new ATOM 0 HG13 ILE C 32 -0.967 -10.100 5.827 1.00 99.99 H new ATOM 0 HG21 ILE C 32 -2.216 -12.159 2.915 1.00 99.99 H new ATOM 0 HG22 ILE C 32 -1.895 -10.888 1.711 1.00 99.99 H new ATOM 0 HG23 ILE C 32 -0.540 -11.700 2.532 1.00 99.99 H new ATOM 0 HD11 ILE C 32 -1.879 -12.247 6.638 1.00 99.99 H new ATOM 0 HD12 ILE C 32 -3.159 -11.283 5.863 1.00 99.99 H new ATOM 0 HD13 ILE C 32 -2.423 -12.651 4.993 1.00 99.99 H new ATOM 957 N ILE C 33 -2.048 -7.822 1.954 1.00 99.99 N ATOM 958 CA ILE C 33 -2.554 -7.320 0.682 1.00 99.99 C ATOM 959 C ILE C 33 -1.456 -6.535 -0.023 1.00 99.99 C ATOM 960 O ILE C 33 -1.249 -6.739 -1.191 1.00 99.99 O ATOM 961 CB ILE C 33 -3.735 -6.353 0.845 1.00 99.99 C ATOM 962 CG1 ILE C 33 -5.032 -7.184 1.014 1.00 99.99 C ATOM 963 CG2 ILE C 33 -3.858 -5.379 -0.340 1.00 99.99 C ATOM 964 CD1 ILE C 33 -6.230 -6.399 1.559 1.00 99.99 C ATOM 0 H ILE C 33 -2.549 -7.468 2.769 1.00 99.99 H new ATOM 0 HA ILE C 33 -2.880 -8.195 0.119 1.00 99.99 H new ATOM 0 HB ILE C 33 -3.565 -5.739 1.729 1.00 99.99 H new ATOM 0 HG12 ILE C 33 -5.303 -7.609 0.048 1.00 99.99 H new ATOM 0 HG13 ILE C 33 -4.827 -8.019 1.684 1.00 99.99 H new ATOM 0 HG21 ILE C 33 -4.708 -4.715 -0.179 1.00 99.99 H new ATOM 0 HG22 ILE C 33 -2.946 -4.788 -0.421 1.00 99.99 H new ATOM 0 HG23 ILE C 33 -4.008 -5.943 -1.261 1.00 99.99 H new ATOM 0 HD11 ILE C 33 -7.091 -7.062 1.643 1.00 99.99 H new ATOM 0 HD12 ILE C 33 -5.984 -5.996 2.542 1.00 99.99 H new ATOM 0 HD13 ILE C 33 -6.468 -5.580 0.880 1.00 99.99 H new ATOM 976 N GLY C 34 -0.818 -5.704 0.680 1.00 99.99 N ATOM 977 CA GLY C 34 0.244 -4.868 0.128 1.00 99.99 C ATOM 978 C GLY C 34 1.413 -5.747 -0.285 1.00 99.99 C ATOM 979 O GLY C 34 2.041 -5.459 -1.273 1.00 99.99 O ATOM 0 H GLY C 34 -0.992 -5.554 1.674 1.00 99.99 H new ATOM 0 HA2 GLY C 34 -0.127 -4.309 -0.731 1.00 99.99 H new ATOM 0 HA3 GLY C 34 0.568 -4.136 0.868 1.00 99.99 H new ATOM 983 N ILE C 35 1.354 -7.024 0.057 1.00 99.99 N ATOM 984 CA ILE C 35 2.405 -7.895 -0.463 1.00 99.99 C ATOM 985 C ILE C 35 1.905 -8.595 -1.717 1.00 99.99 C ATOM 986 O ILE C 35 2.612 -8.621 -2.692 1.00 99.99 O ATOM 987 CB ILE C 35 2.803 -9.002 0.521 1.00 99.99 C ATOM 988 CG1 ILE C 35 3.318 -8.386 1.846 1.00 99.99 C ATOM 989 CG2 ILE C 35 3.887 -9.901 -0.112 1.00 99.99 C ATOM 990 CD1 ILE C 35 3.448 -9.375 3.009 1.00 99.99 C ATOM 0 H ILE C 35 0.647 -7.461 0.648 1.00 99.99 H new ATOM 0 HA ILE C 35 3.267 -7.255 -0.652 1.00 99.99 H new ATOM 0 HB ILE C 35 1.926 -9.610 0.743 1.00 99.99 H new ATOM 0 HG12 ILE C 35 4.292 -7.931 1.664 1.00 99.99 H new ATOM 0 HG13 ILE C 35 2.642 -7.584 2.144 1.00 99.99 H new ATOM 0 HG21 ILE C 35 4.166 -10.685 0.592 1.00 99.99 H new ATOM 0 HG22 ILE C 35 3.498 -10.353 -1.024 1.00 99.99 H new ATOM 0 HG23 ILE C 35 4.764 -9.300 -0.351 1.00 99.99 H new ATOM 0 HD11 ILE C 35 3.815 -8.852 3.892 1.00 99.99 H new ATOM 0 HD12 ILE C 35 2.473 -9.813 3.225 1.00 99.99 H new ATOM 0 HD13 ILE C 35 4.148 -10.165 2.738 1.00 99.99 H new ATOM 1002 N LEU C 36 0.758 -9.117 -1.653 1.00 99.99 N ATOM 1003 CA LEU C 36 0.168 -9.843 -2.772 1.00 99.99 C ATOM 1004 C LEU C 36 0.070 -8.917 -3.976 1.00 99.99 C ATOM 1005 O LEU C 36 0.366 -9.340 -5.064 1.00 99.99 O ATOM 1006 CB LEU C 36 -1.259 -10.327 -2.483 1.00 99.99 C ATOM 1007 CG LEU C 36 -1.990 -10.987 -3.671 1.00 99.99 C ATOM 1008 CD1 LEU C 36 -1.274 -12.269 -4.120 1.00 99.99 C ATOM 1009 CD2 LEU C 36 -3.457 -11.273 -3.325 1.00 99.99 C ATOM 0 H LEU C 36 0.163 -9.072 -0.826 1.00 99.99 H new ATOM 0 HA LEU C 36 0.811 -10.705 -2.951 1.00 99.99 H new ATOM 0 HB2 LEU C 36 -1.222 -11.041 -1.660 1.00 99.99 H new ATOM 0 HB3 LEU C 36 -1.850 -9.477 -2.142 1.00 99.99 H new ATOM 0 HG LEU C 36 -1.971 -10.284 -4.504 1.00 99.99 H new ATOM 0 HD11 LEU C 36 -1.812 -12.712 -4.958 1.00 99.99 H new ATOM 0 HD12 LEU C 36 -0.256 -12.029 -4.428 1.00 99.99 H new ATOM 0 HD13 LEU C 36 -1.245 -12.978 -3.293 1.00 99.99 H new ATOM 0 HD21 LEU C 36 -3.948 -11.738 -4.180 1.00 99.99 H new ATOM 0 HD22 LEU C 36 -3.504 -11.946 -2.469 1.00 99.99 H new ATOM 0 HD23 LEU C 36 -3.962 -10.339 -3.080 1.00 99.99 H new ATOM 1021 N HIS C 37 -0.368 -7.651 -3.782 1.00 99.99 N ATOM 1022 CA HIS C 37 -0.561 -6.674 -4.827 1.00 99.99 C ATOM 1023 C HIS C 37 0.750 -6.370 -5.501 1.00 99.99 C ATOM 1024 O HIS C 37 0.785 -6.032 -6.683 1.00 99.99 O ATOM 1025 CB HIS C 37 -1.157 -5.360 -4.269 1.00 99.99 C ATOM 1026 CG HIS C 37 -1.561 -4.366 -5.327 1.00 99.99 C ATOM 1027 ND1 HIS C 37 -1.799 -3.048 -5.044 1.00 99.99 N ATOM 1028 CD2 HIS C 37 -1.813 -4.541 -6.646 1.00 99.99 C ATOM 1029 CE1 HIS C 37 -2.174 -2.442 -6.163 1.00 99.99 C ATOM 1030 NE2 HIS C 37 -2.190 -3.326 -7.150 1.00 99.99 N ATOM 0 H HIS C 37 -0.598 -7.291 -2.856 1.00 99.99 H new ATOM 0 HA HIS C 37 -1.261 -7.097 -5.547 1.00 99.99 H new ATOM 0 HB2 HIS C 37 -2.029 -5.600 -3.660 1.00 99.99 H new ATOM 0 HB3 HIS C 37 -0.425 -4.894 -3.609 1.00 99.99 H new ATOM 0 HD2 HIS C 37 -1.732 -5.466 -7.197 1.00 99.99 H new ATOM 0 HE1 HIS C 37 -2.426 -1.396 -6.255 1.00 99.99 H new ATOM 0 HE2 HIS C 37 -2.441 -3.134 -8.120 1.00 99.99 H new ATOM 1038 N LEU C 38 1.868 -6.528 -4.752 1.00 99.99 N ATOM 1039 CA LEU C 38 3.212 -6.289 -5.264 1.00 99.99 C ATOM 1040 C LEU C 38 3.592 -7.408 -6.222 1.00 99.99 C ATOM 1041 O LEU C 38 4.131 -7.131 -7.263 1.00 99.99 O ATOM 1042 CB LEU C 38 4.281 -6.282 -4.162 1.00 99.99 C ATOM 1043 CG LEU C 38 5.716 -6.054 -4.696 1.00 99.99 C ATOM 1044 CD1 LEU C 38 5.841 -4.719 -5.442 1.00 99.99 C ATOM 1045 CD2 LEU C 38 6.765 -6.146 -3.587 1.00 99.99 C ATOM 0 H LEU C 38 1.848 -6.825 -3.777 1.00 99.99 H new ATOM 0 HA LEU C 38 3.186 -5.311 -5.744 1.00 99.99 H new ATOM 0 HB2 LEU C 38 4.042 -5.501 -3.440 1.00 99.99 H new ATOM 0 HB3 LEU C 38 4.247 -7.231 -3.628 1.00 99.99 H new ATOM 0 HG LEU C 38 5.910 -6.859 -5.405 1.00 99.99 H new ATOM 0 HD11 LEU C 38 6.863 -4.597 -5.801 1.00 99.99 H new ATOM 0 HD12 LEU C 38 5.155 -4.710 -6.289 1.00 99.99 H new ATOM 0 HD13 LEU C 38 5.593 -3.900 -4.766 1.00 99.99 H new ATOM 0 HD21 LEU C 38 7.756 -5.979 -4.009 1.00 99.99 H new ATOM 0 HD22 LEU C 38 6.561 -5.389 -2.830 1.00 99.99 H new ATOM 0 HD23 LEU C 38 6.726 -7.135 -3.131 1.00 99.99 H new ATOM 1057 N ILE C 39 3.317 -8.582 -5.855 1.00 99.99 N ATOM 1058 CA ILE C 39 3.649 -9.752 -6.661 1.00 99.99 C ATOM 1059 C ILE C 39 2.824 -9.730 -7.939 1.00 99.99 C ATOM 1060 O ILE C 39 3.359 -9.997 -8.986 1.00 99.99 O ATOM 1061 CB ILE C 39 3.321 -11.076 -5.957 1.00 99.99 C ATOM 1062 CG1 ILE C 39 4.251 -11.266 -4.738 1.00 99.99 C ATOM 1063 CG2 ILE C 39 3.471 -12.256 -6.940 1.00 99.99 C ATOM 1064 CD1 ILE C 39 3.883 -12.471 -3.861 1.00 99.99 C ATOM 0 H ILE C 39 2.847 -8.802 -4.977 1.00 99.99 H new ATOM 0 HA ILE C 39 4.722 -9.702 -6.848 1.00 99.99 H new ATOM 0 HB ILE C 39 2.288 -11.048 -5.610 1.00 99.99 H new ATOM 0 HG12 ILE C 39 5.276 -11.384 -5.089 1.00 99.99 H new ATOM 0 HG13 ILE C 39 4.225 -10.363 -4.128 1.00 99.99 H new ATOM 0 HG21 ILE C 39 3.235 -13.189 -6.427 1.00 99.99 H new ATOM 0 HG22 ILE C 39 2.788 -12.120 -7.778 1.00 99.99 H new ATOM 0 HG23 ILE C 39 4.496 -12.294 -7.309 1.00 99.99 H new ATOM 0 HD11 ILE C 39 4.580 -12.540 -3.026 1.00 99.99 H new ATOM 0 HD12 ILE C 39 2.870 -12.347 -3.479 1.00 99.99 H new ATOM 0 HD13 ILE C 39 3.938 -13.383 -4.455 1.00 99.99 H new ATOM 1076 N LEU C 40 1.604 -9.437 -7.819 1.00 99.99 N ATOM 1077 CA LEU C 40 0.692 -9.403 -8.956 1.00 99.99 C ATOM 1078 C LEU C 40 1.190 -8.386 -9.972 1.00 99.99 C ATOM 1079 O LEU C 40 1.191 -8.678 -11.141 1.00 99.99 O ATOM 1080 CB LEU C 40 -0.728 -8.970 -8.571 1.00 99.99 C ATOM 1081 CG LEU C 40 -1.535 -9.994 -7.742 1.00 99.99 C ATOM 1082 CD1 LEU C 40 -2.889 -9.379 -7.335 1.00 99.99 C ATOM 1083 CD2 LEU C 40 -1.765 -11.308 -8.501 1.00 99.99 C ATOM 0 H LEU C 40 1.166 -9.204 -6.928 1.00 99.99 H new ATOM 0 HA LEU C 40 0.662 -10.418 -9.353 1.00 99.99 H new ATOM 0 HB2 LEU C 40 -0.665 -8.040 -8.005 1.00 99.99 H new ATOM 0 HB3 LEU C 40 -1.282 -8.751 -9.484 1.00 99.99 H new ATOM 0 HG LEU C 40 -0.950 -10.232 -6.854 1.00 99.99 H new ATOM 0 HD11 LEU C 40 -3.456 -10.103 -6.750 1.00 99.99 H new ATOM 0 HD12 LEU C 40 -2.717 -8.484 -6.737 1.00 99.99 H new ATOM 0 HD13 LEU C 40 -3.452 -9.114 -8.230 1.00 99.99 H new ATOM 0 HD21 LEU C 40 -2.336 -11.994 -7.876 1.00 99.99 H new ATOM 0 HD22 LEU C 40 -2.318 -11.106 -9.418 1.00 99.99 H new ATOM 0 HD23 LEU C 40 -0.804 -11.758 -8.749 1.00 99.99 H new ATOM 1095 N TRP C 41 1.575 -7.274 -9.516 1.00 99.99 N ATOM 1096 CA TRP C 41 2.050 -6.198 -10.377 1.00 99.99 C ATOM 1097 C TRP C 41 3.361 -6.618 -11.025 1.00 99.99 C ATOM 1098 O TRP C 41 3.545 -6.369 -12.190 1.00 99.99 O ATOM 1099 CB TRP C 41 2.340 -4.902 -9.609 1.00 99.99 C ATOM 1100 CG TRP C 41 2.735 -3.734 -10.495 1.00 99.99 C ATOM 1101 CD1 TRP C 41 1.908 -2.958 -11.247 1.00 99.99 C ATOM 1102 CD2 TRP C 41 4.077 -3.307 -10.784 1.00 99.99 C ATOM 1103 NE1 TRP C 41 2.630 -2.018 -11.926 1.00 99.99 N ATOM 1104 CE2 TRP C 41 3.966 -2.237 -11.692 1.00 99.99 C ATOM 1105 CE3 TRP C 41 5.321 -3.754 -10.327 1.00 99.99 C ATOM 1106 CZ2 TRP C 41 5.096 -1.577 -12.151 1.00 99.99 C ATOM 1107 CZ3 TRP C 41 6.455 -3.095 -10.804 1.00 99.99 C ATOM 1108 CH2 TRP C 41 6.352 -2.019 -11.703 1.00 99.99 C ATOM 0 H TRP C 41 1.583 -7.045 -8.522 1.00 99.99 H new ATOM 0 HA TRP C 41 1.259 -6.013 -11.103 1.00 99.99 H new ATOM 0 HB2 TRP C 41 1.455 -4.626 -9.035 1.00 99.99 H new ATOM 0 HB3 TRP C 41 3.140 -5.088 -8.892 1.00 99.99 H new ATOM 0 HD1 TRP C 41 0.835 -3.069 -11.299 1.00 99.99 H new ATOM 0 HE1 TRP C 41 2.242 -1.277 -12.510 1.00 99.99 H new ATOM 0 HE3 TRP C 41 5.401 -4.577 -9.632 1.00 99.99 H new ATOM 0 HZ2 TRP C 41 5.013 -0.745 -12.835 1.00 99.99 H new ATOM 0 HZ3 TRP C 41 7.432 -3.418 -10.476 1.00 99.99 H new ATOM 0 HH2 TRP C 41 7.248 -1.527 -12.053 1.00 99.99 H new ATOM 1119 N ILE C 42 4.196 -7.203 -10.281 1.00 99.99 N ATOM 1120 CA ILE C 42 5.504 -7.636 -10.764 1.00 99.99 C ATOM 1121 C ILE C 42 5.317 -8.730 -11.804 1.00 99.99 C ATOM 1122 O ILE C 42 5.990 -8.707 -12.804 1.00 99.99 O ATOM 1123 CB ILE C 42 6.379 -8.236 -9.658 1.00 99.99 C ATOM 1124 CG1 ILE C 42 6.851 -7.124 -8.691 1.00 99.99 C ATOM 1125 CG2 ILE C 42 7.596 -8.973 -10.258 1.00 99.99 C ATOM 1126 CD1 ILE C 42 7.657 -7.650 -7.494 1.00 99.99 C ATOM 0 H ILE C 42 4.024 -7.416 -9.298 1.00 99.99 H new ATOM 0 HA ILE C 42 5.992 -6.748 -11.166 1.00 99.99 H new ATOM 0 HB ILE C 42 5.782 -8.960 -9.103 1.00 99.99 H new ATOM 0 HG12 ILE C 42 7.461 -6.409 -9.243 1.00 99.99 H new ATOM 0 HG13 ILE C 42 5.980 -6.582 -8.322 1.00 99.99 H new ATOM 0 HG21 ILE C 42 8.202 -9.390 -9.453 1.00 99.99 H new ATOM 0 HG22 ILE C 42 7.250 -9.778 -10.907 1.00 99.99 H new ATOM 0 HG23 ILE C 42 8.196 -8.272 -10.838 1.00 99.99 H new ATOM 0 HD11 ILE C 42 7.954 -6.815 -6.860 1.00 99.99 H new ATOM 0 HD12 ILE C 42 7.043 -8.342 -6.918 1.00 99.99 H new ATOM 0 HD13 ILE C 42 8.547 -8.167 -7.853 1.00 99.99 H new ATOM 1138 N LEU C 43 4.458 -9.617 -11.545 1.00 99.99 N ATOM 1139 CA LEU C 43 4.197 -10.736 -12.442 1.00 99.99 C ATOM 1140 C LEU C 43 3.614 -10.212 -13.746 1.00 99.99 C ATOM 1141 O LEU C 43 3.908 -10.757 -14.780 1.00 99.99 O ATOM 1142 CB LEU C 43 3.172 -11.727 -11.876 1.00 99.99 C ATOM 1143 CG LEU C 43 3.675 -12.544 -10.663 1.00 99.99 C ATOM 1144 CD1 LEU C 43 2.505 -13.300 -10.008 1.00 99.99 C ATOM 1145 CD2 LEU C 43 4.786 -13.531 -11.054 1.00 99.99 C ATOM 0 H LEU C 43 3.887 -9.620 -10.700 1.00 99.99 H new ATOM 0 HA LEU C 43 5.151 -11.245 -12.581 1.00 99.99 H new ATOM 0 HB2 LEU C 43 2.277 -11.178 -11.583 1.00 99.99 H new ATOM 0 HB3 LEU C 43 2.877 -12.417 -12.666 1.00 99.99 H new ATOM 0 HG LEU C 43 4.098 -11.838 -9.948 1.00 99.99 H new ATOM 0 HD11 LEU C 43 2.873 -13.871 -9.156 1.00 99.99 H new ATOM 0 HD12 LEU C 43 1.754 -12.586 -9.670 1.00 99.99 H new ATOM 0 HD13 LEU C 43 2.059 -13.979 -10.734 1.00 99.99 H new ATOM 0 HD21 LEU C 43 5.109 -14.083 -10.172 1.00 99.99 H new ATOM 0 HD22 LEU C 43 4.406 -14.229 -11.800 1.00 99.99 H new ATOM 0 HD23 LEU C 43 5.632 -12.982 -11.468 1.00 99.99 H new ATOM 1157 N ASP C 44 2.833 -9.225 -13.658 1.00 99.99 N ATOM 1158 CA ASP C 44 2.183 -8.639 -14.822 1.00 99.99 C ATOM 1159 C ASP C 44 3.231 -7.971 -15.703 1.00 99.99 C ATOM 1160 O ASP C 44 3.151 -8.087 -16.900 1.00 99.99 O ATOM 1161 CB ASP C 44 1.167 -7.548 -14.456 1.00 99.99 C ATOM 1162 CG ASP C 44 0.422 -6.999 -15.688 1.00 99.99 C ATOM 1163 OD1 ASP C 44 -0.357 -7.765 -16.303 1.00 99.99 O ATOM 1164 OD2 ASP C 44 0.577 -5.784 -16.013 1.00 99.99 O ATOM 0 H ASP C 44 2.600 -8.767 -12.777 1.00 99.99 H new ATOM 0 HA ASP C 44 1.666 -9.456 -15.325 1.00 99.99 H new ATOM 0 HB2 ASP C 44 0.443 -7.952 -13.748 1.00 99.99 H new ATOM 0 HB3 ASP C 44 1.682 -6.730 -13.953 1.00 99.99 H new ATOM 1169 N ARG C 45 4.133 -7.319 -15.110 1.00 99.99 N ATOM 1170 CA ARG C 45 5.186 -6.610 -15.828 1.00 99.99 C ATOM 1171 C ARG C 45 6.044 -7.612 -16.586 1.00 99.99 C ATOM 1172 O ARG C 45 6.369 -7.365 -17.719 1.00 99.99 O ATOM 1173 CB ARG C 45 6.136 -5.848 -14.895 1.00 99.99 C ATOM 1174 CG ARG C 45 5.458 -4.694 -14.128 1.00 99.99 C ATOM 1175 CD ARG C 45 5.195 -3.460 -15.002 1.00 99.99 C ATOM 1176 NE ARG C 45 3.798 -3.555 -15.558 1.00 99.99 N ATOM 1177 CZ ARG C 45 3.440 -2.880 -16.667 1.00 99.99 C ATOM 1178 NH1 ARG C 45 4.303 -2.076 -17.311 1.00 99.99 N ATOM 1179 NH2 ARG C 45 2.177 -3.002 -17.106 1.00 99.99 N ATOM 0 H ARG C 45 4.195 -7.238 -14.095 1.00 99.99 H new ATOM 0 HA ARG C 45 4.682 -5.902 -16.486 1.00 99.99 H new ATOM 0 HB2 ARG C 45 6.564 -6.547 -14.177 1.00 99.99 H new ATOM 0 HB3 ARG C 45 6.963 -5.447 -15.481 1.00 99.99 H new ATOM 0 HG2 ARG C 45 4.513 -5.047 -13.715 1.00 99.99 H new ATOM 0 HG3 ARG C 45 6.087 -4.407 -13.285 1.00 99.99 H new ATOM 0 HD2 ARG C 45 5.307 -2.549 -14.414 1.00 99.99 H new ATOM 0 HD3 ARG C 45 5.922 -3.408 -15.812 1.00 99.99 H new ATOM 0 HE ARG C 45 3.110 -4.142 -15.086 1.00 99.99 H new ATOM 0 HH11 ARG C 45 5.255 -1.966 -16.962 1.00 99.99 H new ATOM 0 HH12 ARG C 45 4.006 -1.576 -18.149 1.00 99.99 H new ATOM 0 HH21 ARG C 45 1.517 -3.594 -16.602 1.00 99.99 H new ATOM 0 HH22 ARG C 45 1.878 -2.502 -17.943 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 6.464 -10.341 -17.716 1.00 99.99 C ATOM 1196 O LEU C 46 5.457 -11.019 -17.520 1.00 99.99 O ATOM 1197 CB LEU C 46 7.554 -10.822 -15.580 1.00 99.99 C ATOM 1198 CG LEU C 46 8.314 -10.436 -14.287 1.00 99.99 C ATOM 1199 CD1 LEU C 46 8.337 -11.661 -13.352 1.00 99.99 C ATOM 1200 CD2 LEU C 46 9.742 -9.942 -14.547 1.00 99.99 C ATOM 0 H LEU C 46 6.076 -8.863 -15.008 1.00 99.99 H new ATOM 0 HA LEU C 46 8.128 -9.197 -16.872 1.00 99.99 H new ATOM 0 HB2 LEU C 46 6.625 -11.313 -15.291 1.00 99.99 H new ATOM 0 HB3 LEU C 46 8.152 -11.560 -16.114 1.00 99.99 H new ATOM 0 HG LEU C 46 7.787 -9.600 -13.827 1.00 99.99 H new ATOM 0 HD11 LEU C 46 8.869 -11.409 -12.435 1.00 99.99 H new ATOM 0 HD12 LEU C 46 7.315 -11.954 -13.110 1.00 99.99 H new ATOM 0 HD13 LEU C 46 8.843 -12.489 -13.849 1.00 99.99 H new ATOM 0 HD21 LEU C 46 10.217 -9.689 -13.599 1.00 99.99 H new ATOM 0 HD22 LEU C 46 10.314 -10.727 -15.042 1.00 99.99 H new ATOM 0 HD23 LEU C 46 9.711 -9.059 -15.185 1.00 99.99 H new ATOM 1213 N SER D 22 10.395 -0.514 18.941 1.00 99.99 N ATOM 1214 CA SER D 22 10.116 -1.252 17.676 1.00 99.99 C ATOM 1215 C SER D 22 8.656 -1.593 17.532 1.00 99.99 C ATOM 1216 O SER D 22 7.859 -1.398 18.450 1.00 99.99 O ATOM 1217 CB SER D 22 11.005 -2.532 17.557 1.00 99.99 C ATOM 1218 OG SER D 22 10.753 -3.489 18.584 1.00 99.99 O ATOM 0 HA SER D 22 10.375 -0.584 16.855 1.00 99.99 H new ATOM 0 HB2 SER D 22 10.833 -2.997 16.586 1.00 99.99 H new ATOM 0 HB3 SER D 22 12.055 -2.241 17.590 1.00 99.99 H new ATOM 0 HG SER D 22 11.336 -4.266 18.457 1.00 99.99 H new ATOM 1223 N SER D 23 8.284 -2.126 16.343 1.00 99.99 N ATOM 1224 CA SER D 23 6.954 -2.611 16.058 1.00 99.99 C ATOM 1225 C SER D 23 7.130 -4.040 15.611 1.00 99.99 C ATOM 1226 O SER D 23 8.186 -4.635 15.823 1.00 99.99 O ATOM 1227 CB SER D 23 6.231 -1.773 14.976 1.00 99.99 C ATOM 1228 OG SER D 23 6.049 -0.437 15.428 1.00 99.99 O ATOM 0 H SER D 23 8.926 -2.223 15.556 1.00 99.99 H new ATOM 0 HA SER D 23 6.322 -2.533 16.942 1.00 99.99 H new ATOM 0 HB2 SER D 23 6.813 -1.776 14.054 1.00 99.99 H new ATOM 0 HB3 SER D 23 5.265 -2.221 14.745 1.00 99.99 H new ATOM 0 HG SER D 23 5.592 0.084 14.735 1.00 99.99 H new ATOM 1234 N ASP D 24 6.075 -4.641 15.002 1.00 99.99 N ATOM 1235 CA ASP D 24 6.040 -6.048 14.648 1.00 99.99 C ATOM 1236 C ASP D 24 6.643 -6.214 13.270 1.00 99.99 C ATOM 1237 O ASP D 24 6.576 -5.269 12.492 1.00 99.99 O ATOM 1238 CB ASP D 24 4.589 -6.607 14.617 1.00 99.99 C ATOM 1239 CG ASP D 24 3.925 -6.526 15.995 1.00 99.99 C ATOM 1240 OD1 ASP D 24 4.650 -6.436 17.022 1.00 99.99 O ATOM 1241 OD2 ASP D 24 2.666 -6.565 16.034 1.00 99.99 O ATOM 0 H ASP D 24 5.224 -4.139 14.748 1.00 99.99 H new ATOM 0 HA ASP D 24 6.601 -6.598 15.403 1.00 99.99 H new ATOM 0 HB2 ASP D 24 3.997 -6.046 13.894 1.00 99.99 H new ATOM 0 HB3 ASP D 24 4.605 -7.644 14.280 1.00 99.99 H new ATOM 1246 N PRO D 25 7.258 -7.340 12.900 1.00 99.99 N ATOM 1247 CA PRO D 25 8.142 -7.410 11.746 1.00 99.99 C ATOM 1248 C PRO D 25 7.396 -7.404 10.431 1.00 99.99 C ATOM 1249 O PRO D 25 7.998 -6.996 9.450 1.00 99.99 O ATOM 1250 CB PRO D 25 8.918 -8.725 11.929 1.00 99.99 C ATOM 1251 CG PRO D 25 8.017 -9.575 12.827 1.00 99.99 C ATOM 1252 CD PRO D 25 7.379 -8.530 13.739 1.00 99.99 C ATOM 0 HA PRO D 25 8.791 -6.536 11.700 1.00 99.99 H new ATOM 0 HB2 PRO D 25 9.102 -9.215 10.973 1.00 99.99 H new ATOM 0 HB3 PRO D 25 9.890 -8.552 12.391 1.00 99.99 H new ATOM 0 HG2 PRO D 25 7.270 -10.122 12.251 1.00 99.99 H new ATOM 0 HG3 PRO D 25 8.587 -10.313 13.392 1.00 99.99 H new ATOM 0 HD2 PRO D 25 6.406 -8.861 14.102 1.00 99.99 H new ATOM 0 HD3 PRO D 25 7.998 -8.337 14.615 1.00 99.99 H new ATOM 1260 N LEU D 26 6.121 -7.855 10.392 1.00 99.99 N ATOM 1261 CA LEU D 26 5.199 -7.821 9.264 1.00 99.99 C ATOM 1262 C LEU D 26 4.752 -6.387 9.021 1.00 99.99 C ATOM 1263 O LEU D 26 4.690 -5.977 7.890 1.00 99.99 O ATOM 1264 CB LEU D 26 3.922 -8.636 9.509 1.00 99.99 C ATOM 1265 CG LEU D 26 2.796 -8.478 8.462 1.00 99.99 C ATOM 1266 CD1 LEU D 26 3.202 -8.985 7.076 1.00 99.99 C ATOM 1267 CD2 LEU D 26 1.520 -9.182 8.943 1.00 99.99 C ATOM 0 H LEU D 26 5.692 -8.280 11.214 1.00 99.99 H new ATOM 0 HA LEU D 26 5.739 -8.245 8.417 1.00 99.99 H new ATOM 0 HB2 LEU D 26 4.194 -9.690 9.562 1.00 99.99 H new ATOM 0 HB3 LEU D 26 3.522 -8.360 10.485 1.00 99.99 H new ATOM 0 HG LEU D 26 2.602 -7.410 8.360 1.00 99.99 H new ATOM 0 HD11 LEU D 26 2.373 -8.849 6.382 1.00 99.99 H new ATOM 0 HD12 LEU D 26 4.067 -8.424 6.722 1.00 99.99 H new ATOM 0 HD13 LEU D 26 3.456 -10.043 7.136 1.00 99.99 H new ATOM 0 HD21 LEU D 26 0.735 -9.063 8.196 1.00 99.99 H new ATOM 0 HD22 LEU D 26 1.723 -10.243 9.090 1.00 99.99 H new ATOM 0 HD23 LEU D 26 1.194 -8.741 9.885 1.00 99.99 H new ATOM 1279 N VAL D 27 4.461 -5.707 10.044 1.00 99.99 N ATOM 1280 CA VAL D 27 3.995 -4.327 9.958 1.00 99.99 C ATOM 1281 C VAL D 27 5.112 -3.452 9.408 1.00 99.99 C ATOM 1282 O VAL D 27 4.858 -2.660 8.536 1.00 99.99 O ATOM 1283 CB VAL D 27 3.616 -3.739 11.323 1.00 99.99 C ATOM 1284 CG1 VAL D 27 3.248 -2.248 11.192 1.00 99.99 C ATOM 1285 CG2 VAL D 27 2.413 -4.515 11.903 1.00 99.99 C ATOM 0 H VAL D 27 4.528 -6.065 10.997 1.00 99.99 H new ATOM 0 HA VAL D 27 3.114 -4.341 9.316 1.00 99.99 H new ATOM 0 HB VAL D 27 4.473 -3.830 11.990 1.00 99.99 H new ATOM 0 HG11 VAL D 27 2.983 -1.851 12.172 1.00 99.99 H new ATOM 0 HG12 VAL D 27 4.101 -1.696 10.796 1.00 99.99 H new ATOM 0 HG13 VAL D 27 2.400 -2.141 10.515 1.00 99.99 H new ATOM 0 HG21 VAL D 27 2.144 -4.097 12.873 1.00 99.99 H new ATOM 0 HG22 VAL D 27 1.565 -4.431 11.224 1.00 99.99 H new ATOM 0 HG23 VAL D 27 2.680 -5.565 12.022 1.00 99.99 H new ATOM 1295 N VAL D 28 6.256 -3.610 9.917 1.00 99.99 N ATOM 1296 CA VAL D 28 7.411 -2.820 9.505 1.00 99.99 C ATOM 1297 C VAL D 28 7.805 -3.209 8.089 1.00 99.99 C ATOM 1298 O VAL D 28 8.087 -2.341 7.300 1.00 99.99 O ATOM 1299 CB VAL D 28 8.645 -3.064 10.383 1.00 99.99 C ATOM 1300 CG1 VAL D 28 9.888 -2.351 9.812 1.00 99.99 C ATOM 1301 CG2 VAL D 28 8.367 -2.578 11.819 1.00 99.99 C ATOM 0 H VAL D 28 6.459 -4.293 10.646 1.00 99.99 H new ATOM 0 HA VAL D 28 7.114 -1.775 9.589 1.00 99.99 H new ATOM 0 HB VAL D 28 8.850 -4.135 10.395 1.00 99.99 H new ATOM 0 HG11 VAL D 28 10.746 -2.543 10.457 1.00 99.99 H new ATOM 0 HG12 VAL D 28 10.095 -2.727 8.810 1.00 99.99 H new ATOM 0 HG13 VAL D 28 9.702 -1.278 9.765 1.00 99.99 H new ATOM 0 HG21 VAL D 28 9.246 -2.753 12.439 1.00 99.99 H new ATOM 0 HG22 VAL D 28 8.140 -1.512 11.805 1.00 99.99 H new ATOM 0 HG23 VAL D 28 7.518 -3.124 12.230 1.00 99.99 H new ATOM 1311 N ALA D 29 7.820 -4.442 7.825 1.00 99.99 N ATOM 1312 CA ALA D 29 8.206 -4.957 6.515 1.00 99.99 C ATOM 1313 C ALA D 29 7.243 -4.425 5.464 1.00 99.99 C ATOM 1314 O ALA D 29 7.686 -4.043 4.408 1.00 99.99 O ATOM 1315 CB ALA D 29 8.136 -6.487 6.431 1.00 99.99 C ATOM 0 H ALA D 29 7.567 -5.166 8.498 1.00 99.99 H new ATOM 0 HA ALA D 29 9.234 -4.635 6.349 1.00 99.99 H new ATOM 0 HB1 ALA D 29 8.434 -6.811 5.434 1.00 99.99 H new ATOM 0 HB2 ALA D 29 8.808 -6.923 7.170 1.00 99.99 H new ATOM 0 HB3 ALA D 29 7.116 -6.816 6.629 1.00 99.99 H new ATOM 1321 N ALA D 30 6.019 -4.424 5.766 1.00 99.99 N ATOM 1322 CA ALA D 30 4.987 -3.966 4.844 1.00 99.99 C ATOM 1323 C ALA D 30 5.202 -2.492 4.537 1.00 99.99 C ATOM 1324 O ALA D 30 4.955 -2.084 3.428 1.00 99.99 O ATOM 1325 CB ALA D 30 3.572 -4.082 5.427 1.00 99.99 C ATOM 0 H ALA D 30 5.661 -4.740 6.667 1.00 99.99 H new ATOM 0 HA ALA D 30 5.066 -4.598 3.960 1.00 99.99 H new ATOM 0 HB1 ALA D 30 2.847 -3.726 4.695 1.00 99.99 H new ATOM 0 HB2 ALA D 30 3.362 -5.124 5.669 1.00 99.99 H new ATOM 0 HB3 ALA D 30 3.501 -3.478 6.332 1.00 99.99 H new ATOM 1331 N SER D 31 5.634 -1.777 5.480 1.00 99.99 N ATOM 1332 CA SER D 31 5.863 -0.344 5.333 1.00 99.99 C ATOM 1333 C SER D 31 6.928 -0.112 4.271 1.00 99.99 C ATOM 1334 O SER D 31 6.736 0.721 3.421 1.00 99.99 O ATOM 1335 CB SER D 31 6.380 0.315 6.618 1.00 99.99 C ATOM 1336 OG SER D 31 5.391 0.267 7.645 1.00 99.99 O ATOM 0 H SER D 31 5.854 -2.140 6.407 1.00 99.99 H new ATOM 0 HA SER D 31 4.900 0.094 5.070 1.00 99.99 H new ATOM 0 HB2 SER D 31 7.284 -0.192 6.954 1.00 99.99 H new ATOM 0 HB3 SER D 31 6.652 1.351 6.417 1.00 99.99 H new ATOM 0 HG SER D 31 5.215 -0.666 7.886 1.00 99.99 H new ATOM 1342 N ILE D 32 7.972 -0.816 4.356 1.00 99.99 N ATOM 1343 CA ILE D 32 9.083 -0.680 3.422 1.00 99.99 C ATOM 1344 C ILE D 32 8.623 -1.076 2.027 1.00 99.99 C ATOM 1345 O ILE D 32 9.036 -0.463 1.077 1.00 99.99 O ATOM 1346 CB ILE D 32 10.266 -1.596 3.764 1.00 99.99 C ATOM 1347 CG1 ILE D 32 10.895 -1.173 5.110 1.00 99.99 C ATOM 1348 CG2 ILE D 32 11.331 -1.559 2.649 1.00 99.99 C ATOM 1349 CD1 ILE D 32 11.837 -2.235 5.693 1.00 99.99 C ATOM 0 H ILE D 32 8.117 -1.525 5.075 1.00 99.99 H new ATOM 0 HA ILE D 32 9.404 0.360 3.480 1.00 99.99 H new ATOM 0 HB ILE D 32 9.893 -2.617 3.849 1.00 99.99 H new ATOM 0 HG12 ILE D 32 11.447 -0.243 4.970 1.00 99.99 H new ATOM 0 HG13 ILE D 32 10.100 -0.967 5.827 1.00 99.99 H new ATOM 0 HG21 ILE D 32 12.159 -2.216 2.915 1.00 99.99 H new ATOM 0 HG22 ILE D 32 10.888 -1.895 1.711 1.00 99.99 H new ATOM 0 HG23 ILE D 32 11.700 -0.540 2.532 1.00 99.99 H new ATOM 0 HD11 ILE D 32 12.247 -1.879 6.638 1.00 99.99 H new ATOM 0 HD12 ILE D 32 11.283 -3.159 5.863 1.00 99.99 H new ATOM 0 HD13 ILE D 32 12.651 -2.423 4.993 1.00 99.99 H new ATOM 1361 N ILE D 33 7.822 -2.048 1.954 1.00 99.99 N ATOM 1362 CA ILE D 33 7.320 -2.554 0.682 1.00 99.99 C ATOM 1363 C ILE D 33 6.535 -1.456 -0.023 1.00 99.99 C ATOM 1364 O ILE D 33 6.739 -1.249 -1.191 1.00 99.99 O ATOM 1365 CB ILE D 33 6.353 -3.735 0.845 1.00 99.99 C ATOM 1366 CG1 ILE D 33 7.184 -5.032 1.014 1.00 99.99 C ATOM 1367 CG2 ILE D 33 5.379 -3.858 -0.340 1.00 99.99 C ATOM 1368 CD1 ILE D 33 6.399 -6.230 1.559 1.00 99.99 C ATOM 0 H ILE D 33 7.468 -2.549 2.769 1.00 99.99 H new ATOM 0 HA ILE D 33 8.195 -2.880 0.119 1.00 99.99 H new ATOM 0 HB ILE D 33 5.739 -3.565 1.729 1.00 99.99 H new ATOM 0 HG12 ILE D 33 7.609 -5.303 0.048 1.00 99.99 H new ATOM 0 HG13 ILE D 33 8.019 -4.827 1.684 1.00 99.99 H new ATOM 0 HG21 ILE D 33 4.715 -4.708 -0.179 1.00 99.99 H new ATOM 0 HG22 ILE D 33 4.788 -2.946 -0.421 1.00 99.99 H new ATOM 0 HG23 ILE D 33 5.943 -4.008 -1.261 1.00 99.99 H new ATOM 0 HD11 ILE D 33 7.062 -7.091 1.643 1.00 99.99 H new ATOM 0 HD12 ILE D 33 5.996 -5.984 2.542 1.00 99.99 H new ATOM 0 HD13 ILE D 33 5.580 -6.468 0.880 1.00 99.99 H new ATOM 1380 N GLY D 34 5.704 -0.818 0.680 1.00 99.99 N ATOM 1381 CA GLY D 34 4.868 0.244 0.128 1.00 99.99 C ATOM 1382 C GLY D 34 5.747 1.413 -0.285 1.00 99.99 C ATOM 1383 O GLY D 34 5.459 2.041 -1.273 1.00 99.99 O ATOM 0 H GLY D 34 5.554 -0.992 1.674 1.00 99.99 H new ATOM 0 HA2 GLY D 34 4.309 -0.127 -0.731 1.00 99.99 H new ATOM 0 HA3 GLY D 34 4.136 0.568 0.868 1.00 99.99 H new ATOM 1387 N ILE D 35 7.024 1.354 0.057 1.00 99.99 N ATOM 1388 CA ILE D 35 7.895 2.405 -0.463 1.00 99.99 C ATOM 1389 C ILE D 35 8.595 1.905 -1.717 1.00 99.99 C ATOM 1390 O ILE D 35 8.621 2.612 -2.692 1.00 99.99 O ATOM 1391 CB ILE D 35 9.002 2.803 0.521 1.00 99.99 C ATOM 1392 CG1 ILE D 35 8.386 3.318 1.846 1.00 99.99 C ATOM 1393 CG2 ILE D 35 9.901 3.887 -0.112 1.00 99.99 C ATOM 1394 CD1 ILE D 35 9.375 3.448 3.009 1.00 99.99 C ATOM 0 H ILE D 35 7.461 0.647 0.648 1.00 99.99 H new ATOM 0 HA ILE D 35 7.255 3.267 -0.652 1.00 99.99 H new ATOM 0 HB ILE D 35 9.610 1.926 0.743 1.00 99.99 H new ATOM 0 HG12 ILE D 35 7.931 4.292 1.664 1.00 99.99 H new ATOM 0 HG13 ILE D 35 7.584 2.642 2.144 1.00 99.99 H new ATOM 0 HG21 ILE D 35 10.685 4.166 0.592 1.00 99.99 H new ATOM 0 HG22 ILE D 35 10.353 3.498 -1.024 1.00 99.99 H new ATOM 0 HG23 ILE D 35 9.300 4.764 -0.351 1.00 99.99 H new ATOM 0 HD11 ILE D 35 8.852 3.815 3.892 1.00 99.99 H new ATOM 0 HD12 ILE D 35 9.813 2.473 3.225 1.00 99.99 H new ATOM 0 HD13 ILE D 35 10.165 4.148 2.738 1.00 99.99 H new ATOM 1406 N LEU D 36 9.117 0.758 -1.653 1.00 99.99 N ATOM 1407 CA LEU D 36 9.843 0.168 -2.772 1.00 99.99 C ATOM 1408 C LEU D 36 8.917 0.070 -3.976 1.00 99.99 C ATOM 1409 O LEU D 36 9.340 0.366 -5.064 1.00 99.99 O ATOM 1410 CB LEU D 36 10.327 -1.259 -2.483 1.00 99.99 C ATOM 1411 CG LEU D 36 10.987 -1.990 -3.671 1.00 99.99 C ATOM 1412 CD1 LEU D 36 12.269 -1.274 -4.120 1.00 99.99 C ATOM 1413 CD2 LEU D 36 11.273 -3.457 -3.325 1.00 99.99 C ATOM 0 H LEU D 36 9.072 0.163 -0.826 1.00 99.99 H new ATOM 0 HA LEU D 36 10.705 0.811 -2.951 1.00 99.99 H new ATOM 0 HB2 LEU D 36 11.041 -1.222 -1.660 1.00 99.99 H new ATOM 0 HB3 LEU D 36 9.477 -1.850 -2.142 1.00 99.99 H new ATOM 0 HG LEU D 36 10.284 -1.971 -4.504 1.00 99.99 H new ATOM 0 HD11 LEU D 36 12.712 -1.812 -4.958 1.00 99.99 H new ATOM 0 HD12 LEU D 36 12.029 -0.256 -4.428 1.00 99.99 H new ATOM 0 HD13 LEU D 36 12.978 -1.245 -3.293 1.00 99.99 H new ATOM 0 HD21 LEU D 36 11.738 -3.948 -4.180 1.00 99.99 H new ATOM 0 HD22 LEU D 36 11.946 -3.504 -2.469 1.00 99.99 H new ATOM 0 HD23 LEU D 36 10.339 -3.962 -3.080 1.00 99.99 H new ATOM 1425 N HIS D 37 7.651 -0.368 -3.782 1.00 99.99 N ATOM 1426 CA HIS D 37 6.674 -0.561 -4.827 1.00 99.99 C ATOM 1427 C HIS D 37 6.370 0.750 -5.501 1.00 99.99 C ATOM 1428 O HIS D 37 6.032 0.785 -6.683 1.00 99.99 O ATOM 1429 CB HIS D 37 5.360 -1.157 -4.269 1.00 99.99 C ATOM 1430 CG HIS D 37 4.366 -1.561 -5.327 1.00 99.99 C ATOM 1431 ND1 HIS D 37 3.048 -1.799 -5.044 1.00 99.99 N ATOM 1432 CD2 HIS D 37 4.541 -1.813 -6.646 1.00 99.99 C ATOM 1433 CE1 HIS D 37 2.442 -2.174 -6.163 1.00 99.99 C ATOM 1434 NE2 HIS D 37 3.326 -2.190 -7.150 1.00 99.99 N ATOM 0 H HIS D 37 7.291 -0.598 -2.856 1.00 99.99 H new ATOM 0 HA HIS D 37 7.097 -1.261 -5.547 1.00 99.99 H new ATOM 0 HB2 HIS D 37 5.600 -2.029 -3.660 1.00 99.99 H new ATOM 0 HB3 HIS D 37 4.894 -0.425 -3.609 1.00 99.99 H new ATOM 0 HD2 HIS D 37 5.466 -1.732 -7.197 1.00 99.99 H new ATOM 0 HE1 HIS D 37 1.396 -2.426 -6.255 1.00 99.99 H new ATOM 0 HE2 HIS D 37 3.134 -2.441 -8.120 1.00 99.99 H new ATOM 1442 N LEU D 38 6.528 1.868 -4.752 1.00 99.99 N ATOM 1443 CA LEU D 38 6.289 3.212 -5.264 1.00 99.99 C ATOM 1444 C LEU D 38 7.408 3.592 -6.222 1.00 99.99 C ATOM 1445 O LEU D 38 7.131 4.131 -7.263 1.00 99.99 O ATOM 1446 CB LEU D 38 6.282 4.281 -4.162 1.00 99.99 C ATOM 1447 CG LEU D 38 6.054 5.716 -4.696 1.00 99.99 C ATOM 1448 CD1 LEU D 38 4.719 5.841 -5.442 1.00 99.99 C ATOM 1449 CD2 LEU D 38 6.146 6.765 -3.587 1.00 99.99 C ATOM 0 H LEU D 38 6.825 1.848 -3.777 1.00 99.99 H new ATOM 0 HA LEU D 38 5.311 3.186 -5.744 1.00 99.99 H new ATOM 0 HB2 LEU D 38 5.501 4.042 -3.440 1.00 99.99 H new ATOM 0 HB3 LEU D 38 7.231 4.247 -3.628 1.00 99.99 H new ATOM 0 HG LEU D 38 6.859 5.910 -5.405 1.00 99.99 H new ATOM 0 HD11 LEU D 38 4.597 6.863 -5.801 1.00 99.99 H new ATOM 0 HD12 LEU D 38 4.710 5.155 -6.289 1.00 99.99 H new ATOM 0 HD13 LEU D 38 3.900 5.593 -4.766 1.00 99.99 H new ATOM 0 HD21 LEU D 38 5.979 7.756 -4.009 1.00 99.99 H new ATOM 0 HD22 LEU D 38 5.389 6.561 -2.830 1.00 99.99 H new ATOM 0 HD23 LEU D 38 7.135 6.726 -3.131 1.00 99.99 H new ATOM 1461 N ILE D 39 8.582 3.317 -5.855 1.00 99.99 N ATOM 1462 CA ILE D 39 9.752 3.649 -6.661 1.00 99.99 C ATOM 1463 C ILE D 39 9.730 2.824 -7.939 1.00 99.99 C ATOM 1464 O ILE D 39 9.997 3.359 -8.986 1.00 99.99 O ATOM 1465 CB ILE D 39 11.076 3.321 -5.957 1.00 99.99 C ATOM 1466 CG1 ILE D 39 11.266 4.251 -4.738 1.00 99.99 C ATOM 1467 CG2 ILE D 39 12.256 3.471 -6.940 1.00 99.99 C ATOM 1468 CD1 ILE D 39 12.471 3.883 -3.861 1.00 99.99 C ATOM 0 H ILE D 39 8.802 2.847 -4.977 1.00 99.99 H new ATOM 0 HA ILE D 39 9.702 4.722 -6.848 1.00 99.99 H new ATOM 0 HB ILE D 39 11.048 2.288 -5.610 1.00 99.99 H new ATOM 0 HG12 ILE D 39 11.384 5.276 -5.089 1.00 99.99 H new ATOM 0 HG13 ILE D 39 10.363 4.225 -4.128 1.00 99.99 H new ATOM 0 HG21 ILE D 39 13.189 3.235 -6.427 1.00 99.99 H new ATOM 0 HG22 ILE D 39 12.120 2.788 -7.778 1.00 99.99 H new ATOM 0 HG23 ILE D 39 12.294 4.496 -7.309 1.00 99.99 H new ATOM 0 HD11 ILE D 39 12.540 4.580 -3.026 1.00 99.99 H new ATOM 0 HD12 ILE D 39 12.347 2.870 -3.479 1.00 99.99 H new ATOM 0 HD13 ILE D 39 13.383 3.938 -4.455 1.00 99.99 H new ATOM 1480 N LEU D 40 9.437 1.604 -7.819 1.00 99.99 N ATOM 1481 CA LEU D 40 9.403 0.692 -8.956 1.00 99.99 C ATOM 1482 C LEU D 40 8.386 1.190 -9.972 1.00 99.99 C ATOM 1483 O LEU D 40 8.678 1.191 -11.141 1.00 99.99 O ATOM 1484 CB LEU D 40 8.970 -0.728 -8.571 1.00 99.99 C ATOM 1485 CG LEU D 40 9.994 -1.535 -7.742 1.00 99.99 C ATOM 1486 CD1 LEU D 40 9.379 -2.889 -7.335 1.00 99.99 C ATOM 1487 CD2 LEU D 40 11.308 -1.765 -8.501 1.00 99.99 C ATOM 0 H LEU D 40 9.204 1.166 -6.928 1.00 99.99 H new ATOM 0 HA LEU D 40 10.418 0.662 -9.353 1.00 99.99 H new ATOM 0 HB2 LEU D 40 8.040 -0.665 -8.005 1.00 99.99 H new ATOM 0 HB3 LEU D 40 8.751 -1.282 -9.484 1.00 99.99 H new ATOM 0 HG LEU D 40 10.232 -0.950 -6.854 1.00 99.99 H new ATOM 0 HD11 LEU D 40 10.103 -3.456 -6.750 1.00 99.99 H new ATOM 0 HD12 LEU D 40 8.484 -2.717 -6.737 1.00 99.99 H new ATOM 0 HD13 LEU D 40 9.114 -3.452 -8.230 1.00 99.99 H new ATOM 0 HD21 LEU D 40 11.994 -2.336 -7.876 1.00 99.99 H new ATOM 0 HD22 LEU D 40 11.106 -2.318 -9.418 1.00 99.99 H new ATOM 0 HD23 LEU D 40 11.758 -0.804 -8.749 1.00 99.99 H new ATOM 1499 N TRP D 41 7.274 1.575 -9.516 1.00 99.99 N ATOM 1500 CA TRP D 41 6.198 2.050 -10.377 1.00 99.99 C ATOM 1501 C TRP D 41 6.618 3.361 -11.025 1.00 99.99 C ATOM 1502 O TRP D 41 6.369 3.545 -12.190 1.00 99.99 O ATOM 1503 CB TRP D 41 4.902 2.340 -9.609 1.00 99.99 C ATOM 1504 CG TRP D 41 3.734 2.735 -10.495 1.00 99.99 C ATOM 1505 CD1 TRP D 41 2.958 1.908 -11.247 1.00 99.99 C ATOM 1506 CD2 TRP D 41 3.307 4.077 -10.784 1.00 99.99 C ATOM 1507 NE1 TRP D 41 2.018 2.630 -11.926 1.00 99.99 N ATOM 1508 CE2 TRP D 41 2.237 3.966 -11.692 1.00 99.99 C ATOM 1509 CE3 TRP D 41 3.754 5.321 -10.327 1.00 99.99 C ATOM 1510 CZ2 TRP D 41 1.577 5.096 -12.151 1.00 99.99 C ATOM 1511 CZ3 TRP D 41 3.095 6.455 -10.804 1.00 99.99 C ATOM 1512 CH2 TRP D 41 2.019 6.352 -11.703 1.00 99.99 C ATOM 0 H TRP D 41 7.045 1.583 -8.522 1.00 99.99 H new ATOM 0 HA TRP D 41 6.013 1.259 -11.103 1.00 99.99 H new ATOM 0 HB2 TRP D 41 4.626 1.455 -9.035 1.00 99.99 H new ATOM 0 HB3 TRP D 41 5.088 3.140 -8.892 1.00 99.99 H new ATOM 0 HD1 TRP D 41 3.069 0.835 -11.299 1.00 99.99 H new ATOM 0 HE1 TRP D 41 1.277 2.242 -12.510 1.00 99.99 H new ATOM 0 HE3 TRP D 41 4.577 5.401 -9.632 1.00 99.99 H new ATOM 0 HZ2 TRP D 41 0.745 5.013 -12.835 1.00 99.99 H new ATOM 0 HZ3 TRP D 41 3.418 7.432 -10.476 1.00 99.99 H new ATOM 0 HH2 TRP D 41 1.527 7.248 -12.053 1.00 99.99 H new ATOM 1523 N ILE D 42 7.203 4.196 -10.281 1.00 99.99 N ATOM 1524 CA ILE D 42 7.636 5.504 -10.764 1.00 99.99 C ATOM 1525 C ILE D 42 8.730 5.317 -11.804 1.00 99.99 C ATOM 1526 O ILE D 42 8.707 5.990 -12.804 1.00 99.99 O ATOM 1527 CB ILE D 42 8.236 6.379 -9.658 1.00 99.99 C ATOM 1528 CG1 ILE D 42 7.124 6.851 -8.691 1.00 99.99 C ATOM 1529 CG2 ILE D 42 8.973 7.596 -10.258 1.00 99.99 C ATOM 1530 CD1 ILE D 42 7.650 7.657 -7.494 1.00 99.99 C ATOM 0 H ILE D 42 7.416 4.024 -9.298 1.00 99.99 H new ATOM 0 HA ILE D 42 6.748 5.992 -11.166 1.00 99.99 H new ATOM 0 HB ILE D 42 8.960 5.782 -9.103 1.00 99.99 H new ATOM 0 HG12 ILE D 42 6.409 7.461 -9.243 1.00 99.99 H new ATOM 0 HG13 ILE D 42 6.582 5.980 -8.322 1.00 99.99 H new ATOM 0 HG21 ILE D 42 9.390 8.202 -9.453 1.00 99.99 H new ATOM 0 HG22 ILE D 42 9.778 7.250 -10.907 1.00 99.99 H new ATOM 0 HG23 ILE D 42 8.272 8.196 -10.838 1.00 99.99 H new ATOM 0 HD11 ILE D 42 6.815 7.954 -6.860 1.00 99.99 H new ATOM 0 HD12 ILE D 42 8.342 7.043 -6.918 1.00 99.99 H new ATOM 0 HD13 ILE D 42 8.167 8.547 -7.853 1.00 99.99 H new ATOM 1542 N LEU D 43 9.617 4.458 -11.545 1.00 99.99 N ATOM 1543 CA LEU D 43 10.736 4.197 -12.442 1.00 99.99 C ATOM 1544 C LEU D 43 10.212 3.614 -13.746 1.00 99.99 C ATOM 1545 O LEU D 43 10.757 3.908 -14.780 1.00 99.99 O ATOM 1546 CB LEU D 43 11.727 3.172 -11.876 1.00 99.99 C ATOM 1547 CG LEU D 43 12.544 3.675 -10.663 1.00 99.99 C ATOM 1548 CD1 LEU D 43 13.300 2.505 -10.008 1.00 99.99 C ATOM 1549 CD2 LEU D 43 13.531 4.786 -11.054 1.00 99.99 C ATOM 0 H LEU D 43 9.620 3.887 -10.700 1.00 99.99 H new ATOM 0 HA LEU D 43 11.245 5.151 -12.581 1.00 99.99 H new ATOM 0 HB2 LEU D 43 11.178 2.277 -11.583 1.00 99.99 H new ATOM 0 HB3 LEU D 43 12.417 2.877 -12.666 1.00 99.99 H new ATOM 0 HG LEU D 43 11.838 4.098 -9.948 1.00 99.99 H new ATOM 0 HD11 LEU D 43 13.871 2.873 -9.156 1.00 99.99 H new ATOM 0 HD12 LEU D 43 12.586 1.754 -9.670 1.00 99.99 H new ATOM 0 HD13 LEU D 43 13.979 2.059 -10.734 1.00 99.99 H new ATOM 0 HD21 LEU D 43 14.083 5.109 -10.172 1.00 99.99 H new ATOM 0 HD22 LEU D 43 14.229 4.406 -11.800 1.00 99.99 H new ATOM 0 HD23 LEU D 43 12.982 5.632 -11.468 1.00 99.99 H new ATOM 1561 N ASP D 44 9.225 2.833 -13.658 1.00 99.99 N ATOM 1562 CA ASP D 44 8.639 2.183 -14.822 1.00 99.99 C ATOM 1563 C ASP D 44 7.971 3.231 -15.703 1.00 99.99 C ATOM 1564 O ASP D 44 8.087 3.151 -16.900 1.00 99.99 O ATOM 1565 CB ASP D 44 7.548 1.167 -14.456 1.00 99.99 C ATOM 1566 CG ASP D 44 6.999 0.422 -15.688 1.00 99.99 C ATOM 1567 OD1 ASP D 44 7.765 -0.357 -16.303 1.00 99.99 O ATOM 1568 OD2 ASP D 44 5.784 0.577 -16.013 1.00 99.99 O ATOM 0 H ASP D 44 8.767 2.600 -12.777 1.00 99.99 H new ATOM 0 HA ASP D 44 9.456 1.666 -15.325 1.00 99.99 H new ATOM 0 HB2 ASP D 44 7.952 0.443 -13.748 1.00 99.99 H new ATOM 0 HB3 ASP D 44 6.730 1.682 -13.953 1.00 99.99 H new ATOM 1573 N ARG D 45 7.319 4.133 -15.110 1.00 99.99 N ATOM 1574 CA ARG D 45 6.610 5.186 -15.828 1.00 99.99 C ATOM 1575 C ARG D 45 7.612 6.044 -16.586 1.00 99.99 C ATOM 1576 O ARG D 45 7.365 6.369 -17.719 1.00 99.99 O ATOM 1577 CB ARG D 45 5.848 6.136 -14.895 1.00 99.99 C ATOM 1578 CG ARG D 45 4.694 5.458 -14.128 1.00 99.99 C ATOM 1579 CD ARG D 45 3.460 5.195 -15.002 1.00 99.99 C ATOM 1580 NE ARG D 45 3.555 3.798 -15.558 1.00 99.99 N ATOM 1581 CZ ARG D 45 2.880 3.440 -16.667 1.00 99.99 C ATOM 1582 NH1 ARG D 45 2.076 4.303 -17.311 1.00 99.99 N ATOM 1583 NH2 ARG D 45 3.002 2.177 -17.106 1.00 99.99 N ATOM 0 H ARG D 45 7.238 4.195 -14.095 1.00 99.99 H new ATOM 0 HA ARG D 45 5.902 4.682 -16.486 1.00 99.99 H new ATOM 0 HB2 ARG D 45 6.547 6.564 -14.177 1.00 99.99 H new ATOM 0 HB3 ARG D 45 5.447 6.963 -15.481 1.00 99.99 H new ATOM 0 HG2 ARG D 45 5.047 4.513 -13.715 1.00 99.99 H new ATOM 0 HG3 ARG D 45 4.407 6.087 -13.285 1.00 99.99 H new ATOM 0 HD2 ARG D 45 2.549 5.307 -14.414 1.00 99.99 H new ATOM 0 HD3 ARG D 45 3.408 5.922 -15.812 1.00 99.99 H new ATOM 0 HE ARG D 45 4.142 3.110 -15.086 1.00 99.99 H new ATOM 0 HH11 ARG D 45 1.966 5.255 -16.962 1.00 99.99 H new ATOM 0 HH12 ARG D 45 1.576 4.006 -18.149 1.00 99.99 H new ATOM 0 HH21 ARG D 45 3.594 1.517 -16.602 1.00 99.99 H new ATOM 0 HH22 ARG D 45 2.502 1.878 -17.943 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 10.341 6.464 -17.716 1.00 99.99 C ATOM 1600 O LEU D 46 11.019 5.457 -17.520 1.00 99.99 O ATOM 1601 CB LEU D 46 10.822 7.554 -15.580 1.00 99.99 C ATOM 1602 CG LEU D 46 10.436 8.314 -14.287 1.00 99.99 C ATOM 1603 CD1 LEU D 46 11.661 8.337 -13.352 1.00 99.99 C ATOM 1604 CD2 LEU D 46 9.942 9.742 -14.547 1.00 99.99 C ATOM 0 H LEU D 46 8.863 6.076 -15.008 1.00 99.99 H new ATOM 0 HA LEU D 46 9.197 8.128 -16.872 1.00 99.99 H new ATOM 0 HB2 LEU D 46 11.313 6.625 -15.291 1.00 99.99 H new ATOM 0 HB3 LEU D 46 11.560 8.152 -16.114 1.00 99.99 H new ATOM 0 HG LEU D 46 9.600 7.787 -13.827 1.00 99.99 H new ATOM 0 HD11 LEU D 46 11.409 8.869 -12.435 1.00 99.99 H new ATOM 0 HD12 LEU D 46 11.954 7.315 -13.110 1.00 99.99 H new ATOM 0 HD13 LEU D 46 12.489 8.843 -13.849 1.00 99.99 H new ATOM 0 HD21 LEU D 46 9.689 10.217 -13.599 1.00 99.99 H new ATOM 0 HD22 LEU D 46 10.727 10.314 -15.042 1.00 99.99 H new ATOM 0 HD23 LEU D 46 9.059 9.711 -15.185 1.00 99.99 H new