USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 429 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -135:sc= 0.111 (180deg=-0.221) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 84:sc= 0.387 USER MOD Single : A 11 SER OG : rot 9:sc= 0.699! USER MOD Single : A 19 THR OG1 : rot 75:sc= 1.01 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -35:sc= 0.845 USER MOD Single : A 32 THR OG1 : rot 74:sc= 0.481 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HE2:sc= -0.306 K(o=-0.31,f=-4.3!) USER MOD Single : A 42 THR OG1 : rot 69:sc= -1.07! USER MOD Single : A 44 GLN : amide:sc=-0.00869 X(o=-0.0087,f=-0.048) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -156:sc= -0.053 (180deg=-0.363) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -27.119 21.724 -11.604 1.00 0.00 N ATOM 2 CA MET A 1 -26.980 20.696 -10.534 1.00 0.00 C ATOM 3 C MET A 1 -28.010 20.967 -9.443 1.00 0.00 C ATOM 4 O MET A 1 -28.962 21.718 -9.651 1.00 0.00 O ATOM 5 CB MET A 1 -25.568 20.762 -9.948 1.00 0.00 C ATOM 6 CG MET A 1 -24.545 20.476 -11.048 1.00 0.00 C ATOM 7 SD MET A 1 -22.938 20.115 -10.297 1.00 0.00 S ATOM 8 CE MET A 1 -23.132 18.319 -10.203 1.00 0.00 C ATOM 0 H1 MET A 1 -27.089 21.262 -12.535 1.00 0.00 H new ATOM 0 H2 MET A 1 -28.026 22.220 -11.493 1.00 0.00 H new ATOM 0 H3 MET A 1 -26.339 22.408 -11.532 1.00 0.00 H new ATOM 0 HA MET A 1 -27.148 19.702 -10.949 1.00 0.00 H new ATOM 0 HB2 MET A 1 -25.388 21.746 -9.516 1.00 0.00 H new ATOM 0 HB3 MET A 1 -25.463 20.036 -9.142 1.00 0.00 H new ATOM 0 HG2 MET A 1 -24.873 19.632 -11.654 1.00 0.00 H new ATOM 0 HG3 MET A 1 -24.462 21.334 -11.715 1.00 0.00 H new ATOM 0 HE1 MET A 1 -22.238 17.879 -9.761 1.00 0.00 H new ATOM 0 HE2 MET A 1 -23.998 18.078 -9.586 1.00 0.00 H new ATOM 0 HE3 MET A 1 -23.277 17.916 -11.205 1.00 0.00 H new ATOM 20 N SER A 2 -27.810 20.348 -8.283 1.00 0.00 N ATOM 21 CA SER A 2 -28.726 20.527 -7.160 1.00 0.00 C ATOM 22 C SER A 2 -27.962 20.970 -5.917 1.00 0.00 C ATOM 23 O SER A 2 -28.563 21.351 -4.912 1.00 0.00 O ATOM 24 CB SER A 2 -29.459 19.219 -6.867 1.00 0.00 C ATOM 25 OG SER A 2 -30.859 19.430 -6.994 1.00 0.00 O ATOM 0 H SER A 2 -27.027 19.722 -8.096 1.00 0.00 H new ATOM 0 HA SER A 2 -29.451 21.296 -7.426 1.00 0.00 H new ATOM 0 HB2 SER A 2 -29.132 18.442 -7.558 1.00 0.00 H new ATOM 0 HB3 SER A 2 -29.221 18.872 -5.861 1.00 0.00 H new ATOM 0 HG SER A 2 -31.334 18.593 -6.809 1.00 0.00 H new ATOM 31 N GLU A 3 -26.638 20.921 -5.996 1.00 0.00 N ATOM 32 CA GLU A 3 -25.802 21.320 -4.870 1.00 0.00 C ATOM 33 C GLU A 3 -25.207 22.705 -5.105 1.00 0.00 C ATOM 34 O GLU A 3 -25.181 23.196 -6.234 1.00 0.00 O ATOM 35 CB GLU A 3 -24.670 20.308 -4.670 1.00 0.00 C ATOM 36 CG GLU A 3 -24.675 19.296 -5.816 1.00 0.00 C ATOM 37 CD GLU A 3 -23.495 18.341 -5.672 1.00 0.00 C ATOM 38 OE1 GLU A 3 -23.392 17.709 -4.633 1.00 0.00 O ATOM 39 OE2 GLU A 3 -22.713 18.254 -6.603 1.00 0.00 O ATOM 0 H GLU A 3 -26.123 20.612 -6.820 1.00 0.00 H new ATOM 0 HA GLU A 3 -26.426 21.350 -3.977 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -23.711 20.824 -4.632 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -24.793 19.793 -3.717 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -25.610 18.735 -5.813 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -24.618 19.816 -6.772 1.00 0.00 H new ATOM 46 N PRO A 4 -24.727 23.338 -4.064 1.00 0.00 N ATOM 47 CA PRO A 4 -24.115 24.696 -4.160 1.00 0.00 C ATOM 48 C PRO A 4 -22.763 24.665 -4.869 1.00 0.00 C ATOM 49 O PRO A 4 -21.951 23.769 -4.633 1.00 0.00 O ATOM 50 CB PRO A 4 -23.953 25.132 -2.702 1.00 0.00 C ATOM 51 CG PRO A 4 -23.912 23.870 -1.906 1.00 0.00 C ATOM 52 CD PRO A 4 -24.721 22.832 -2.680 1.00 0.00 C ATOM 0 HA PRO A 4 -24.730 25.379 -4.745 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -23.040 25.711 -2.566 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -24.782 25.766 -2.388 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -22.884 23.534 -1.767 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -24.333 24.026 -0.913 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -24.264 21.844 -2.619 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -25.733 22.740 -2.285 1.00 0.00 H new ATOM 60 N ALA A 5 -22.531 25.647 -5.738 1.00 0.00 N ATOM 61 CA ALA A 5 -21.275 25.722 -6.477 1.00 0.00 C ATOM 62 C ALA A 5 -20.093 25.817 -5.518 1.00 0.00 C ATOM 63 O ALA A 5 -18.937 25.782 -5.936 1.00 0.00 O ATOM 64 CB ALA A 5 -21.284 26.942 -7.400 1.00 0.00 C ATOM 0 H ALA A 5 -23.192 26.396 -5.946 1.00 0.00 H new ATOM 0 HA ALA A 5 -21.172 24.816 -7.074 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -20.343 26.991 -7.948 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -22.111 26.858 -8.105 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -21.405 27.847 -6.805 1.00 0.00 H new ATOM 70 N SER A 6 -20.399 25.940 -4.235 1.00 0.00 N ATOM 71 CA SER A 6 -19.357 26.043 -3.220 1.00 0.00 C ATOM 72 C SER A 6 -18.700 24.688 -2.984 1.00 0.00 C ATOM 73 O SER A 6 -17.497 24.607 -2.731 1.00 0.00 O ATOM 74 CB SER A 6 -19.951 26.559 -1.909 1.00 0.00 C ATOM 75 OG SER A 6 -19.218 27.698 -1.479 1.00 0.00 O ATOM 0 H SER A 6 -21.352 25.971 -3.872 1.00 0.00 H new ATOM 0 HA SER A 6 -18.601 26.743 -3.576 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.000 26.819 -2.049 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.914 25.780 -1.148 1.00 0.00 H new ATOM 0 HG SER A 6 -19.597 28.033 -0.640 1.00 0.00 H new ATOM 81 N LEU A 7 -19.492 23.626 -3.070 1.00 0.00 N ATOM 82 CA LEU A 7 -18.973 22.280 -2.864 1.00 0.00 C ATOM 83 C LEU A 7 -17.861 21.976 -3.863 1.00 0.00 C ATOM 84 O LEU A 7 -16.906 21.266 -3.550 1.00 0.00 O ATOM 85 CB LEU A 7 -20.106 21.259 -3.020 1.00 0.00 C ATOM 86 CG LEU A 7 -19.918 20.111 -2.021 1.00 0.00 C ATOM 87 CD1 LEU A 7 -21.087 19.131 -2.136 1.00 0.00 C ATOM 88 CD2 LEU A 7 -18.610 19.375 -2.323 1.00 0.00 C ATOM 0 H LEU A 7 -20.489 23.670 -3.280 1.00 0.00 H new ATOM 0 HA LEU A 7 -18.562 22.214 -1.857 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -21.068 21.743 -2.854 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -20.117 20.868 -4.038 1.00 0.00 H new ATOM 0 HG LEU A 7 -19.883 20.519 -1.011 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -20.950 18.316 -1.425 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -22.020 19.650 -1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -21.125 18.727 -3.148 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -18.479 18.560 -1.612 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -18.645 18.972 -3.335 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -17.774 20.069 -2.238 1.00 0.00 H new ATOM 100 N LEU A 8 -17.985 22.520 -5.066 1.00 0.00 N ATOM 101 CA LEU A 8 -16.979 22.292 -6.093 1.00 0.00 C ATOM 102 C LEU A 8 -15.834 23.289 -5.960 1.00 0.00 C ATOM 103 O LEU A 8 -14.664 22.924 -6.069 1.00 0.00 O ATOM 104 CB LEU A 8 -17.611 22.414 -7.479 1.00 0.00 C ATOM 105 CG LEU A 8 -18.714 21.360 -7.635 1.00 0.00 C ATOM 106 CD1 LEU A 8 -20.087 22.012 -7.453 1.00 0.00 C ATOM 107 CD2 LEU A 8 -18.625 20.740 -9.030 1.00 0.00 C ATOM 0 H LEU A 8 -18.762 23.115 -5.352 1.00 0.00 H new ATOM 0 HA LEU A 8 -16.580 21.286 -5.964 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -18.026 23.413 -7.614 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -16.852 22.278 -8.249 1.00 0.00 H new ATOM 0 HG LEU A 8 -18.583 20.586 -6.879 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -20.866 21.258 -7.565 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -20.151 22.454 -6.459 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -20.223 22.789 -8.205 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -19.407 19.990 -9.145 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -18.754 21.518 -9.783 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -17.650 20.270 -9.158 1.00 0.00 H new ATOM 119 N THR A 9 -16.181 24.544 -5.727 1.00 0.00 N ATOM 120 CA THR A 9 -15.173 25.587 -5.584 1.00 0.00 C ATOM 121 C THR A 9 -14.320 25.347 -4.345 1.00 0.00 C ATOM 122 O THR A 9 -13.287 25.991 -4.156 1.00 0.00 O ATOM 123 CB THR A 9 -15.846 26.957 -5.490 1.00 0.00 C ATOM 124 OG1 THR A 9 -16.482 27.258 -6.724 1.00 0.00 O ATOM 125 CG2 THR A 9 -14.797 28.025 -5.180 1.00 0.00 C ATOM 0 H THR A 9 -17.144 24.866 -5.633 1.00 0.00 H new ATOM 0 HA THR A 9 -14.527 25.561 -6.462 1.00 0.00 H new ATOM 0 HB THR A 9 -16.589 26.941 -4.693 1.00 0.00 H new ATOM 0 HG1 THR A 9 -17.371 26.847 -6.743 1.00 0.00 H new ATOM 0 HG21 THR A 9 -15.279 29.000 -5.114 1.00 0.00 H new ATOM 0 HG22 THR A 9 -14.312 27.794 -4.231 1.00 0.00 H new ATOM 0 HG23 THR A 9 -14.050 28.043 -5.974 1.00 0.00 H new ATOM 133 N ALA A 10 -14.760 24.418 -3.506 1.00 0.00 N ATOM 134 CA ALA A 10 -14.033 24.093 -2.281 1.00 0.00 C ATOM 135 C ALA A 10 -13.367 22.726 -2.397 1.00 0.00 C ATOM 136 O ALA A 10 -12.877 22.175 -1.410 1.00 0.00 O ATOM 137 CB ALA A 10 -14.988 24.103 -1.086 1.00 0.00 C ATOM 0 H ALA A 10 -15.613 23.877 -3.648 1.00 0.00 H new ATOM 0 HA ALA A 10 -13.260 24.846 -2.131 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -14.437 23.860 -0.178 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -15.435 25.092 -0.985 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -15.774 23.364 -1.242 1.00 0.00 H new ATOM 143 N SER A 11 -13.353 22.184 -3.607 1.00 0.00 N ATOM 144 CA SER A 11 -12.742 20.879 -3.841 1.00 0.00 C ATOM 145 C SER A 11 -11.237 20.939 -3.610 1.00 0.00 C ATOM 146 O SER A 11 -10.540 19.931 -3.726 1.00 0.00 O ATOM 147 CB SER A 11 -13.029 20.414 -5.268 1.00 0.00 C ATOM 148 OG SER A 11 -12.107 19.391 -5.621 1.00 0.00 O ATOM 0 H SER A 11 -13.754 22.622 -4.437 1.00 0.00 H new ATOM 0 HA SER A 11 -13.173 20.167 -3.137 1.00 0.00 H new ATOM 0 HB2 SER A 11 -14.050 20.041 -5.343 1.00 0.00 H new ATOM 0 HB3 SER A 11 -12.944 21.252 -5.960 1.00 0.00 H new ATOM 0 HG SER A 11 -11.597 19.123 -4.828 1.00 0.00 H new ATOM 154 N ASP A 12 -10.744 22.128 -3.284 1.00 0.00 N ATOM 155 CA ASP A 12 -9.317 22.315 -3.041 1.00 0.00 C ATOM 156 C ASP A 12 -9.034 22.425 -1.544 1.00 0.00 C ATOM 157 O ASP A 12 -8.019 22.989 -1.133 1.00 0.00 O ATOM 158 CB ASP A 12 -8.825 23.580 -3.748 1.00 0.00 C ATOM 159 CG ASP A 12 -8.823 23.365 -5.258 1.00 0.00 C ATOM 160 OD1 ASP A 12 -9.320 22.337 -5.690 1.00 0.00 O ATOM 161 OD2 ASP A 12 -8.326 24.229 -5.958 1.00 0.00 O ATOM 0 H ASP A 12 -11.306 22.973 -3.182 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.787 21.448 -3.436 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -9.468 24.423 -3.493 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.821 23.830 -3.406 1.00 0.00 H new ATOM 166 N LEU A 13 -9.937 21.880 -0.737 1.00 0.00 N ATOM 167 CA LEU A 13 -9.777 21.917 0.715 1.00 0.00 C ATOM 168 C LEU A 13 -8.409 21.378 1.121 1.00 0.00 C ATOM 169 O LEU A 13 -7.801 21.860 2.079 1.00 0.00 O ATOM 170 CB LEU A 13 -10.875 21.087 1.382 1.00 0.00 C ATOM 171 CG LEU A 13 -10.863 19.664 0.815 1.00 0.00 C ATOM 172 CD1 LEU A 13 -10.430 18.681 1.903 1.00 0.00 C ATOM 173 CD2 LEU A 13 -12.267 19.299 0.328 1.00 0.00 C ATOM 0 H LEU A 13 -10.783 21.410 -1.059 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.855 22.954 1.043 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.720 21.060 2.461 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -11.848 21.549 1.211 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.162 19.612 -0.018 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.422 17.669 1.497 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.430 18.940 2.251 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -11.129 18.732 2.738 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -12.260 18.287 -0.076 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -12.967 19.352 1.162 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -12.575 19.998 -0.450 1.00 0.00 H new ATOM 185 N ASP A 14 -7.929 20.377 0.389 1.00 0.00 N ATOM 186 CA ASP A 14 -6.629 19.785 0.681 1.00 0.00 C ATOM 187 C ASP A 14 -6.232 18.806 -0.427 1.00 0.00 C ATOM 188 O ASP A 14 -6.412 17.594 -0.293 1.00 0.00 O ATOM 189 CB ASP A 14 -6.685 19.052 2.022 1.00 0.00 C ATOM 190 CG ASP A 14 -5.272 18.852 2.562 1.00 0.00 C ATOM 191 OD1 ASP A 14 -4.356 18.803 1.757 1.00 0.00 O ATOM 192 OD2 ASP A 14 -5.127 18.753 3.768 1.00 0.00 O ATOM 0 H ASP A 14 -8.417 19.962 -0.405 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.884 20.579 0.734 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.279 19.624 2.735 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.177 18.087 1.899 1.00 0.00 H new ATOM 197 N PRO A 15 -5.692 19.304 -1.511 1.00 0.00 N ATOM 198 CA PRO A 15 -5.270 18.456 -2.658 1.00 0.00 C ATOM 199 C PRO A 15 -3.935 17.766 -2.402 1.00 0.00 C ATOM 200 O PRO A 15 -3.678 16.680 -2.922 1.00 0.00 O ATOM 201 CB PRO A 15 -5.170 19.442 -3.824 1.00 0.00 C ATOM 202 CG PRO A 15 -4.937 20.785 -3.210 1.00 0.00 C ATOM 203 CD PRO A 15 -5.426 20.729 -1.761 1.00 0.00 C ATOM 0 HA PRO A 15 -5.971 17.643 -2.847 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.353 19.172 -4.494 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -6.084 19.438 -4.418 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.879 21.043 -3.246 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -5.472 21.556 -3.764 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.674 21.118 -1.074 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -6.325 21.330 -1.623 1.00 0.00 H new ATOM 211 N LEU A 16 -3.092 18.401 -1.598 1.00 0.00 N ATOM 212 CA LEU A 16 -1.787 17.836 -1.280 1.00 0.00 C ATOM 213 C LEU A 16 -1.941 16.510 -0.546 1.00 0.00 C ATOM 214 O LEU A 16 -1.341 15.502 -0.929 1.00 0.00 O ATOM 215 CB LEU A 16 -0.994 18.820 -0.413 1.00 0.00 C ATOM 216 CG LEU A 16 0.438 18.308 -0.219 1.00 0.00 C ATOM 217 CD1 LEU A 16 1.414 19.193 -0.998 1.00 0.00 C ATOM 218 CD2 LEU A 16 0.790 18.350 1.269 1.00 0.00 C ATOM 0 H LEU A 16 -3.286 19.300 -1.157 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.249 17.657 -2.211 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.977 19.802 -0.885 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.481 18.940 0.555 1.00 0.00 H new ATOM 0 HG LEU A 16 0.510 17.284 -0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.430 18.825 -0.857 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.162 19.167 -2.058 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.345 20.218 -0.634 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.808 17.987 1.413 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.716 19.375 1.632 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.097 17.718 1.825 1.00 0.00 H new ATOM 230 N ILE A 17 -2.741 16.518 0.512 1.00 0.00 N ATOM 231 CA ILE A 17 -2.961 15.312 1.294 1.00 0.00 C ATOM 232 C ILE A 17 -3.750 14.292 0.483 1.00 0.00 C ATOM 233 O ILE A 17 -3.508 13.088 0.580 1.00 0.00 O ATOM 234 CB ILE A 17 -3.716 15.652 2.580 1.00 0.00 C ATOM 235 CG1 ILE A 17 -3.506 14.535 3.606 1.00 0.00 C ATOM 236 CG2 ILE A 17 -5.209 15.796 2.279 1.00 0.00 C ATOM 237 CD1 ILE A 17 -4.524 14.675 4.741 1.00 0.00 C ATOM 0 H ILE A 17 -3.244 17.340 0.845 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.993 14.882 1.552 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.338 16.592 2.983 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.615 13.563 3.126 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.493 14.582 4.006 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -5.744 16.038 3.197 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.358 16.594 1.551 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.590 14.859 1.874 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -4.370 13.878 5.468 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.394 15.641 5.229 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.533 14.606 4.335 1.00 0.00 H new ATOM 249 N LEU A 18 -4.692 14.775 -0.321 1.00 0.00 N ATOM 250 CA LEU A 18 -5.503 13.884 -1.140 1.00 0.00 C ATOM 251 C LEU A 18 -4.627 13.119 -2.123 1.00 0.00 C ATOM 252 O LEU A 18 -4.808 11.920 -2.326 1.00 0.00 O ATOM 253 CB LEU A 18 -6.551 14.692 -1.906 1.00 0.00 C ATOM 254 CG LEU A 18 -7.952 14.290 -1.443 1.00 0.00 C ATOM 255 CD1 LEU A 18 -8.996 15.191 -2.111 1.00 0.00 C ATOM 256 CD2 LEU A 18 -8.217 12.834 -1.837 1.00 0.00 C ATOM 0 H LEU A 18 -4.910 15.766 -0.422 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.003 13.170 -0.486 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.395 15.758 -1.740 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.447 14.517 -2.977 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.019 14.399 -0.360 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.993 14.901 -1.778 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.809 16.229 -1.837 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.929 15.084 -3.194 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.215 12.544 -1.508 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.148 12.732 -2.920 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.477 12.189 -1.363 1.00 0.00 H new ATOM 268 N THR A 19 -3.675 13.821 -2.727 1.00 0.00 N ATOM 269 CA THR A 19 -2.773 13.196 -3.682 1.00 0.00 C ATOM 270 C THR A 19 -1.997 12.067 -3.015 1.00 0.00 C ATOM 271 O THR A 19 -1.956 10.945 -3.523 1.00 0.00 O ATOM 272 CB THR A 19 -1.793 14.235 -4.233 1.00 0.00 C ATOM 273 OG1 THR A 19 -2.507 15.201 -4.992 1.00 0.00 O ATOM 274 CG2 THR A 19 -0.759 13.544 -5.126 1.00 0.00 C ATOM 0 H THR A 19 -3.510 14.816 -2.573 1.00 0.00 H new ATOM 0 HA THR A 19 -3.364 12.786 -4.501 1.00 0.00 H new ATOM 0 HB THR A 19 -1.282 14.727 -3.405 1.00 0.00 H new ATOM 0 HG1 THR A 19 -2.983 15.807 -4.386 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.062 14.286 -5.517 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.211 12.804 -4.543 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.266 13.050 -5.955 1.00 0.00 H new ATOM 282 N LEU A 20 -1.390 12.369 -1.873 1.00 0.00 N ATOM 283 CA LEU A 20 -0.619 11.367 -1.147 1.00 0.00 C ATOM 284 C LEU A 20 -1.514 10.211 -0.715 1.00 0.00 C ATOM 285 O LEU A 20 -1.096 9.052 -0.721 1.00 0.00 O ATOM 286 CB LEU A 20 0.035 11.997 0.084 1.00 0.00 C ATOM 287 CG LEU A 20 1.242 12.834 -0.345 1.00 0.00 C ATOM 288 CD1 LEU A 20 1.453 13.973 0.653 1.00 0.00 C ATOM 289 CD2 LEU A 20 2.497 11.956 -0.384 1.00 0.00 C ATOM 0 H LEU A 20 -1.416 13.289 -1.434 1.00 0.00 H new ATOM 0 HA LEU A 20 0.156 10.983 -1.811 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.685 12.623 0.610 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.349 11.219 0.780 1.00 0.00 H new ATOM 0 HG LEU A 20 1.058 13.244 -1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.313 14.570 0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.564 14.604 0.679 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.633 13.559 1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.353 12.558 -0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.681 11.541 0.607 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.351 11.144 -1.096 1.00 0.00 H new ATOM 301 N SER A 21 -2.748 10.535 -0.340 1.00 0.00 N ATOM 302 CA SER A 21 -3.695 9.518 0.092 1.00 0.00 C ATOM 303 C SER A 21 -4.086 8.621 -1.077 1.00 0.00 C ATOM 304 O SER A 21 -4.009 7.398 -0.982 1.00 0.00 O ATOM 305 CB SER A 21 -4.946 10.180 0.669 1.00 0.00 C ATOM 306 OG SER A 21 -4.844 10.221 2.086 1.00 0.00 O ATOM 0 H SER A 21 -3.112 11.488 -0.327 1.00 0.00 H new ATOM 0 HA SER A 21 -3.220 8.909 0.861 1.00 0.00 H new ATOM 0 HB2 SER A 21 -5.054 11.189 0.271 1.00 0.00 H new ATOM 0 HB3 SER A 21 -5.835 9.624 0.373 1.00 0.00 H new ATOM 0 HG SER A 21 -5.644 10.647 2.459 1.00 0.00 H new ATOM 312 N LEU A 22 -4.507 9.237 -2.176 1.00 0.00 N ATOM 313 CA LEU A 22 -4.910 8.481 -3.357 1.00 0.00 C ATOM 314 C LEU A 22 -3.822 7.495 -3.756 1.00 0.00 C ATOM 315 O LEU A 22 -4.112 6.364 -4.148 1.00 0.00 O ATOM 316 CB LEU A 22 -5.183 9.437 -4.520 1.00 0.00 C ATOM 317 CG LEU A 22 -6.657 9.351 -4.920 1.00 0.00 C ATOM 318 CD1 LEU A 22 -7.534 9.815 -3.756 1.00 0.00 C ATOM 319 CD2 LEU A 22 -6.906 10.251 -6.133 1.00 0.00 C ATOM 0 H LEU A 22 -4.578 10.250 -2.274 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.819 7.928 -3.119 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.933 10.458 -4.231 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.550 9.182 -5.370 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.905 8.320 -5.171 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.583 9.753 -4.044 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.357 9.177 -2.890 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.288 10.846 -3.503 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.956 10.192 -6.421 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.657 11.281 -5.879 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.283 9.922 -6.964 1.00 0.00 H new ATOM 331 N ILE A 23 -2.573 7.927 -3.659 1.00 0.00 N ATOM 332 CA ILE A 23 -1.457 7.065 -4.017 1.00 0.00 C ATOM 333 C ILE A 23 -1.425 5.838 -3.120 1.00 0.00 C ATOM 334 O ILE A 23 -1.489 4.705 -3.597 1.00 0.00 O ATOM 335 CB ILE A 23 -0.138 7.834 -3.886 1.00 0.00 C ATOM 336 CG1 ILE A 23 0.163 8.561 -5.202 1.00 0.00 C ATOM 337 CG2 ILE A 23 1.007 6.869 -3.555 1.00 0.00 C ATOM 338 CD1 ILE A 23 0.877 7.620 -6.179 1.00 0.00 C ATOM 0 H ILE A 23 -2.309 8.859 -3.339 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.586 6.743 -5.050 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.229 8.562 -3.080 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.765 8.922 -5.646 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.785 9.435 -5.008 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.939 7.427 -3.465 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.795 6.362 -2.614 1.00 0.00 H new ATOM 0 HG23 ILE A 23 1.102 6.131 -4.351 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.084 8.150 -7.109 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.814 7.281 -5.738 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.241 6.759 -6.386 1.00 0.00 H new ATOM 350 N LEU A 24 -1.311 6.070 -1.818 1.00 0.00 N ATOM 351 CA LEU A 24 -1.256 4.969 -0.867 1.00 0.00 C ATOM 352 C LEU A 24 -2.489 4.093 -0.996 1.00 0.00 C ATOM 353 O LEU A 24 -2.413 2.876 -0.856 1.00 0.00 O ATOM 354 CB LEU A 24 -1.160 5.514 0.563 1.00 0.00 C ATOM 355 CG LEU A 24 -0.271 4.605 1.423 1.00 0.00 C ATOM 356 CD1 LEU A 24 -0.823 3.179 1.401 1.00 0.00 C ATOM 357 CD2 LEU A 24 1.165 4.607 0.884 1.00 0.00 C ATOM 0 H LEU A 24 -1.255 6.999 -1.401 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.372 4.369 -1.085 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.751 6.524 0.547 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.156 5.580 1.002 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.267 4.980 2.447 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.191 2.535 2.012 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.838 3.175 1.800 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.835 2.809 0.376 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.786 3.959 1.502 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.169 4.242 -0.143 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.562 5.622 0.910 1.00 0.00 H new ATOM 369 N VAL A 25 -3.621 4.717 -1.266 1.00 0.00 N ATOM 370 CA VAL A 25 -4.866 3.976 -1.410 1.00 0.00 C ATOM 371 C VAL A 25 -4.791 3.024 -2.597 1.00 0.00 C ATOM 372 O VAL A 25 -5.047 1.827 -2.462 1.00 0.00 O ATOM 373 CB VAL A 25 -6.032 4.945 -1.605 1.00 0.00 C ATOM 374 CG1 VAL A 25 -7.276 4.166 -2.036 1.00 0.00 C ATOM 375 CG2 VAL A 25 -6.318 5.672 -0.290 1.00 0.00 C ATOM 0 H VAL A 25 -3.707 5.726 -1.390 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.025 3.394 -0.502 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.773 5.673 -2.374 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.108 4.857 -2.175 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.074 3.648 -2.973 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.534 3.438 -1.267 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.149 6.363 -0.430 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.576 4.944 0.479 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.433 6.228 0.019 1.00 0.00 H new ATOM 385 N LEU A 26 -4.438 3.564 -3.757 1.00 0.00 N ATOM 386 CA LEU A 26 -4.333 2.754 -4.965 1.00 0.00 C ATOM 387 C LEU A 26 -3.256 1.687 -4.804 1.00 0.00 C ATOM 388 O LEU A 26 -3.438 0.541 -5.217 1.00 0.00 O ATOM 389 CB LEU A 26 -3.996 3.645 -6.161 1.00 0.00 C ATOM 390 CG LEU A 26 -5.265 4.351 -6.644 1.00 0.00 C ATOM 391 CD1 LEU A 26 -4.895 5.691 -7.284 1.00 0.00 C ATOM 392 CD2 LEU A 26 -5.974 3.474 -7.681 1.00 0.00 C ATOM 0 H LEU A 26 -4.221 4.552 -3.887 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.291 2.263 -5.135 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.242 4.381 -5.879 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.571 3.046 -6.966 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.927 4.523 -5.795 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.800 6.192 -7.627 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.389 6.318 -6.549 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.232 5.519 -8.132 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.878 3.976 -8.025 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.309 3.302 -8.528 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.240 2.519 -7.229 1.00 0.00 H new ATOM 404 N ILE A 27 -2.136 2.069 -4.198 1.00 0.00 N ATOM 405 CA ILE A 27 -1.036 1.132 -3.990 1.00 0.00 C ATOM 406 C ILE A 27 -1.441 0.037 -3.013 1.00 0.00 C ATOM 407 O ILE A 27 -1.285 -1.152 -3.296 1.00 0.00 O ATOM 408 CB ILE A 27 0.190 1.875 -3.454 1.00 0.00 C ATOM 409 CG1 ILE A 27 0.873 2.627 -4.605 1.00 0.00 C ATOM 410 CG2 ILE A 27 1.168 0.877 -2.827 1.00 0.00 C ATOM 411 CD1 ILE A 27 1.893 1.721 -5.303 1.00 0.00 C ATOM 0 H ILE A 27 -1.966 3.011 -3.845 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.790 0.672 -4.947 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.122 2.589 -2.692 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.125 2.964 -5.323 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.371 3.518 -4.222 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.039 1.411 -2.447 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.677 0.353 -2.007 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.485 0.156 -3.580 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.369 2.268 -6.117 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.651 1.406 -4.586 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.386 0.843 -5.704 1.00 0.00 H new ATOM 423 N SER A 28 -1.960 0.442 -1.860 1.00 0.00 N ATOM 424 CA SER A 28 -2.385 -0.513 -0.845 1.00 0.00 C ATOM 425 C SER A 28 -3.376 -1.511 -1.434 1.00 0.00 C ATOM 426 O SER A 28 -3.330 -2.701 -1.127 1.00 0.00 O ATOM 427 CB SER A 28 -3.030 0.224 0.329 1.00 0.00 C ATOM 428 OG SER A 28 -4.219 0.865 -0.116 1.00 0.00 O ATOM 0 H SER A 28 -2.096 1.420 -1.606 1.00 0.00 H new ATOM 0 HA SER A 28 -1.508 -1.056 -0.491 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.259 -0.477 1.132 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.337 0.960 0.737 1.00 0.00 H new ATOM 0 HG SER A 28 -4.093 1.187 -1.033 1.00 0.00 H new ATOM 434 N LEU A 29 -4.268 -1.014 -2.284 1.00 0.00 N ATOM 435 CA LEU A 29 -5.266 -1.871 -2.913 1.00 0.00 C ATOM 436 C LEU A 29 -4.596 -2.911 -3.803 1.00 0.00 C ATOM 437 O LEU A 29 -4.911 -4.099 -3.732 1.00 0.00 O ATOM 438 CB LEU A 29 -6.234 -1.027 -3.746 1.00 0.00 C ATOM 439 CG LEU A 29 -7.662 -1.237 -3.240 1.00 0.00 C ATOM 440 CD1 LEU A 29 -7.791 -0.700 -1.813 1.00 0.00 C ATOM 441 CD2 LEU A 29 -8.640 -0.494 -4.153 1.00 0.00 C ATOM 0 H LEU A 29 -4.321 -0.031 -2.552 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.820 -2.386 -2.128 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.965 0.027 -3.678 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.165 -1.307 -4.797 1.00 0.00 H new ATOM 0 HG LEU A 29 -7.892 -2.302 -3.246 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -8.810 -0.852 -1.458 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.096 -1.230 -1.161 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.558 0.365 -1.803 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -9.658 -0.643 -3.793 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.405 0.570 -4.148 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.554 -0.880 -5.169 1.00 0.00 H new ATOM 453 N LEU A 30 -3.668 -2.457 -4.639 1.00 0.00 N ATOM 454 CA LEU A 30 -2.956 -3.357 -5.539 1.00 0.00 C ATOM 455 C LEU A 30 -2.195 -4.414 -4.747 1.00 0.00 C ATOM 456 O LEU A 30 -2.230 -5.598 -5.083 1.00 0.00 O ATOM 457 CB LEU A 30 -1.978 -2.561 -6.406 1.00 0.00 C ATOM 458 CG LEU A 30 -1.707 -3.322 -7.703 1.00 0.00 C ATOM 459 CD1 LEU A 30 -2.723 -2.898 -8.765 1.00 0.00 C ATOM 460 CD2 LEU A 30 -0.294 -3.001 -8.196 1.00 0.00 C ATOM 0 H LEU A 30 -3.393 -1.478 -4.712 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.685 -3.855 -6.178 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.391 -1.577 -6.629 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.045 -2.400 -5.865 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.796 -4.393 -7.521 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.530 -3.441 -9.690 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.730 -3.124 -8.415 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.634 -1.827 -8.947 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.099 -3.543 -9.121 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.207 -1.930 -8.378 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.432 -3.301 -7.440 1.00 0.00 H new ATOM 472 N LEU A 31 -1.509 -3.979 -3.696 1.00 0.00 N ATOM 473 CA LEU A 31 -0.748 -4.897 -2.864 1.00 0.00 C ATOM 474 C LEU A 31 -1.649 -6.011 -2.340 1.00 0.00 C ATOM 475 O LEU A 31 -1.266 -7.181 -2.342 1.00 0.00 O ATOM 476 CB LEU A 31 -0.126 -4.139 -1.687 1.00 0.00 C ATOM 477 CG LEU A 31 1.368 -4.452 -1.606 1.00 0.00 C ATOM 478 CD1 LEU A 31 1.978 -3.728 -0.406 1.00 0.00 C ATOM 479 CD2 LEU A 31 1.563 -5.959 -1.439 1.00 0.00 C ATOM 0 H LEU A 31 -1.465 -3.003 -3.403 1.00 0.00 H new ATOM 0 HA LEU A 31 0.044 -5.340 -3.468 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.277 -3.067 -1.812 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.618 -4.424 -0.757 1.00 0.00 H new ATOM 0 HG LEU A 31 1.858 -4.118 -2.521 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.043 -3.952 -0.349 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.839 -2.653 -0.520 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.488 -4.062 0.508 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.628 -6.184 -1.381 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.072 -6.290 -0.524 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.128 -6.479 -2.293 1.00 0.00 H new ATOM 491 N THR A 32 -2.842 -5.639 -1.892 1.00 0.00 N ATOM 492 CA THR A 32 -3.787 -6.618 -1.367 1.00 0.00 C ATOM 493 C THR A 32 -4.155 -7.635 -2.440 1.00 0.00 C ATOM 494 O THR A 32 -4.113 -8.841 -2.203 1.00 0.00 O ATOM 495 CB THR A 32 -5.051 -5.911 -0.874 1.00 0.00 C ATOM 496 OG1 THR A 32 -4.714 -5.017 0.177 1.00 0.00 O ATOM 497 CG2 THR A 32 -6.051 -6.949 -0.362 1.00 0.00 C ATOM 0 H THR A 32 -3.176 -4.675 -1.881 1.00 0.00 H new ATOM 0 HA THR A 32 -3.316 -7.141 -0.534 1.00 0.00 H new ATOM 0 HB THR A 32 -5.499 -5.352 -1.696 1.00 0.00 H new ATOM 0 HG1 THR A 32 -4.254 -4.235 -0.194 1.00 0.00 H new ATOM 0 HG21 THR A 32 -6.951 -6.445 -0.011 1.00 0.00 H new ATOM 0 HG22 THR A 32 -6.310 -7.634 -1.169 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.605 -7.509 0.460 1.00 0.00 H new ATOM 505 N VAL A 33 -4.516 -7.142 -3.618 1.00 0.00 N ATOM 506 CA VAL A 33 -4.892 -8.022 -4.719 1.00 0.00 C ATOM 507 C VAL A 33 -3.789 -9.036 -4.998 1.00 0.00 C ATOM 508 O VAL A 33 -4.052 -10.229 -5.151 1.00 0.00 O ATOM 509 CB VAL A 33 -5.162 -7.197 -5.978 1.00 0.00 C ATOM 510 CG1 VAL A 33 -5.548 -8.130 -7.126 1.00 0.00 C ATOM 511 CG2 VAL A 33 -6.309 -6.219 -5.710 1.00 0.00 C ATOM 0 H VAL A 33 -4.557 -6.146 -3.836 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.797 -8.559 -4.436 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.264 -6.641 -6.247 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.741 -7.542 -8.024 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.733 -8.828 -7.317 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.446 -8.686 -6.857 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.502 -5.630 -6.607 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.207 -6.776 -5.441 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.036 -5.553 -4.891 1.00 0.00 H new ATOM 521 N LEU A 34 -2.555 -8.556 -5.065 1.00 0.00 N ATOM 522 CA LEU A 34 -1.420 -9.433 -5.326 1.00 0.00 C ATOM 523 C LEU A 34 -1.297 -10.493 -4.238 1.00 0.00 C ATOM 524 O LEU A 34 -1.184 -11.684 -4.530 1.00 0.00 O ATOM 525 CB LEU A 34 -0.142 -8.607 -5.361 1.00 0.00 C ATOM 526 CG LEU A 34 -0.167 -7.659 -6.571 1.00 0.00 C ATOM 527 CD1 LEU A 34 1.053 -6.734 -6.536 1.00 0.00 C ATOM 528 CD2 LEU A 34 -0.143 -8.468 -7.877 1.00 0.00 C ATOM 0 H LEU A 34 -2.314 -7.572 -4.943 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.576 -9.927 -6.285 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.044 -8.033 -4.440 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.725 -9.265 -5.421 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.080 -7.065 -6.527 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.028 -6.066 -7.397 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.037 -6.145 -5.619 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.964 -7.332 -6.568 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.161 -7.787 -8.728 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.764 -9.071 -7.915 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.015 -9.121 -7.917 1.00 0.00 H new ATOM 540 N ALA A 35 -1.318 -10.052 -2.985 1.00 0.00 N ATOM 541 CA ALA A 35 -1.208 -10.975 -1.864 1.00 0.00 C ATOM 542 C ALA A 35 -2.327 -12.003 -1.920 1.00 0.00 C ATOM 543 O ALA A 35 -2.144 -13.164 -1.553 1.00 0.00 O ATOM 544 CB ALA A 35 -1.293 -10.208 -0.543 1.00 0.00 C ATOM 0 H ALA A 35 -1.409 -9.071 -2.722 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.246 -11.484 -1.927 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.210 -10.907 0.289 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.481 -9.483 -0.491 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.249 -9.687 -0.485 1.00 0.00 H new ATOM 550 N LEU A 36 -3.489 -11.562 -2.384 1.00 0.00 N ATOM 551 CA LEU A 36 -4.643 -12.455 -2.478 1.00 0.00 C ATOM 552 C LEU A 36 -4.405 -13.534 -3.529 1.00 0.00 C ATOM 553 O LEU A 36 -4.599 -14.722 -3.267 1.00 0.00 O ATOM 554 CB LEU A 36 -5.908 -11.661 -2.836 1.00 0.00 C ATOM 555 CG LEU A 36 -6.948 -11.785 -1.715 1.00 0.00 C ATOM 556 CD1 LEU A 36 -7.337 -13.254 -1.525 1.00 0.00 C ATOM 557 CD2 LEU A 36 -6.363 -11.234 -0.410 1.00 0.00 C ATOM 0 H LEU A 36 -3.660 -10.607 -2.698 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.781 -12.931 -1.507 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.655 -10.612 -2.993 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.326 -12.032 -3.772 1.00 0.00 H new ATOM 0 HG LEU A 36 -7.836 -11.213 -1.985 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -8.076 -13.335 -0.728 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.760 -13.641 -2.452 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.452 -13.833 -1.260 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.102 -11.322 0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.472 -11.802 -0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.098 -10.185 -0.544 1.00 0.00 H new ATOM 569 N LEU A 37 -3.982 -13.116 -4.713 1.00 0.00 N ATOM 570 CA LEU A 37 -3.718 -14.057 -5.790 1.00 0.00 C ATOM 571 C LEU A 37 -2.612 -15.028 -5.393 1.00 0.00 C ATOM 572 O LEU A 37 -2.724 -16.234 -5.607 1.00 0.00 O ATOM 573 CB LEU A 37 -3.305 -13.295 -7.050 1.00 0.00 C ATOM 574 CG LEU A 37 -4.457 -13.307 -8.055 1.00 0.00 C ATOM 575 CD1 LEU A 37 -5.693 -12.664 -7.425 1.00 0.00 C ATOM 576 CD2 LEU A 37 -4.050 -12.521 -9.302 1.00 0.00 C ATOM 0 H LEU A 37 -3.815 -12.138 -4.951 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.627 -14.625 -5.988 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.040 -12.268 -6.796 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.419 -13.753 -7.491 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.688 -14.336 -8.332 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.514 -12.673 -8.142 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.982 -13.225 -6.536 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.466 -11.635 -7.147 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.870 -12.528 -10.020 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.819 -11.492 -9.025 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.170 -12.981 -9.751 1.00 0.00 H new ATOM 588 N SER A 38 -1.544 -14.492 -4.811 1.00 0.00 N ATOM 589 CA SER A 38 -0.422 -15.322 -4.387 1.00 0.00 C ATOM 590 C SER A 38 -0.894 -16.412 -3.430 1.00 0.00 C ATOM 591 O SER A 38 -0.513 -17.575 -3.563 1.00 0.00 O ATOM 592 CB SER A 38 0.636 -14.460 -3.698 1.00 0.00 C ATOM 593 OG SER A 38 1.896 -15.113 -3.774 1.00 0.00 O ATOM 0 H SER A 38 -1.432 -13.496 -4.623 1.00 0.00 H new ATOM 0 HA SER A 38 0.012 -15.791 -5.270 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.691 -13.481 -4.175 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.363 -14.292 -2.656 1.00 0.00 H new ATOM 0 HG SER A 38 2.577 -14.562 -3.335 1.00 0.00 H new ATOM 599 N HIS A 39 -1.724 -16.028 -2.466 1.00 0.00 N ATOM 600 CA HIS A 39 -2.241 -16.984 -1.492 1.00 0.00 C ATOM 601 C HIS A 39 -3.119 -18.027 -2.176 1.00 0.00 C ATOM 602 O HIS A 39 -3.017 -19.220 -1.889 1.00 0.00 O ATOM 603 CB HIS A 39 -3.054 -16.249 -0.425 1.00 0.00 C ATOM 604 CG HIS A 39 -3.395 -17.201 0.688 1.00 0.00 C ATOM 605 ND1 HIS A 39 -3.067 -18.547 0.636 1.00 0.00 N ATOM 606 CD2 HIS A 39 -4.034 -17.017 1.889 1.00 0.00 C ATOM 607 CE1 HIS A 39 -3.505 -19.116 1.774 1.00 0.00 C ATOM 608 NE2 HIS A 39 -4.103 -18.228 2.572 1.00 0.00 N ATOM 0 H HIS A 39 -2.051 -15.070 -2.338 1.00 0.00 H new ATOM 0 HA HIS A 39 -1.397 -17.490 -1.023 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -2.484 -15.406 -0.035 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -3.966 -15.843 -0.863 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -2.582 -19.020 -0.126 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -4.424 -16.076 2.249 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -3.387 -20.163 2.013 1.00 0.00 H new ATOM 616 N ARG A 40 -3.982 -17.568 -3.075 1.00 0.00 N ATOM 617 CA ARG A 40 -4.876 -18.470 -3.791 1.00 0.00 C ATOM 618 C ARG A 40 -4.077 -19.457 -4.637 1.00 0.00 C ATOM 619 O ARG A 40 -4.428 -20.633 -4.733 1.00 0.00 O ATOM 620 CB ARG A 40 -5.818 -17.668 -4.691 1.00 0.00 C ATOM 621 CG ARG A 40 -6.819 -18.614 -5.356 1.00 0.00 C ATOM 622 CD ARG A 40 -7.863 -17.799 -6.122 1.00 0.00 C ATOM 623 NE ARG A 40 -8.655 -18.673 -6.980 1.00 0.00 N ATOM 624 CZ ARG A 40 -8.129 -19.234 -8.063 1.00 0.00 C ATOM 625 NH1 ARG A 40 -6.881 -19.008 -8.374 1.00 0.00 N ATOM 626 NH2 ARG A 40 -8.857 -20.012 -8.815 1.00 0.00 N ATOM 0 H ARG A 40 -4.082 -16.584 -3.324 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.461 -19.027 -3.059 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.346 -16.917 -4.104 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.246 -17.135 -5.450 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.300 -19.290 -6.036 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.307 -19.232 -4.602 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.515 -17.278 -5.420 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.369 -17.036 -6.724 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.630 -18.857 -6.744 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.311 -18.401 -7.785 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.477 -19.439 -9.206 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.831 -20.190 -8.572 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.452 -20.442 -9.646 1.00 0.00 H new ATOM 640 N ARG A 41 -3.002 -18.970 -5.247 1.00 0.00 N ATOM 641 CA ARG A 41 -2.158 -19.818 -6.081 1.00 0.00 C ATOM 642 C ARG A 41 -1.494 -20.906 -5.243 1.00 0.00 C ATOM 643 O ARG A 41 -1.419 -22.063 -5.656 1.00 0.00 O ATOM 644 CB ARG A 41 -1.082 -18.973 -6.764 1.00 0.00 C ATOM 645 CG ARG A 41 -1.706 -18.183 -7.919 1.00 0.00 C ATOM 646 CD ARG A 41 -1.394 -18.875 -9.248 1.00 0.00 C ATOM 647 NE ARG A 41 -1.944 -18.107 -10.359 1.00 0.00 N ATOM 648 CZ ARG A 41 -1.507 -18.292 -11.601 1.00 0.00 C ATOM 649 NH1 ARG A 41 -0.575 -19.173 -11.840 1.00 0.00 N ATOM 650 NH2 ARG A 41 -2.011 -17.592 -12.580 1.00 0.00 N ATOM 0 H ARG A 41 -2.696 -17.999 -5.181 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.786 -20.290 -6.837 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.631 -18.290 -6.045 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.284 -19.615 -7.138 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -2.785 -18.110 -7.781 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.316 -17.165 -7.928 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.316 -18.979 -9.367 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.813 -19.881 -9.249 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.675 -17.418 -10.181 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.182 -19.720 -11.074 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.240 -19.315 -12.793 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.740 -16.903 -12.392 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.676 -17.733 -13.533 1.00 0.00 H new ATOM 664 N THR A 42 -1.010 -20.526 -4.064 1.00 0.00 N ATOM 665 CA THR A 42 -0.353 -21.478 -3.177 1.00 0.00 C ATOM 666 C THR A 42 -1.329 -22.566 -2.742 1.00 0.00 C ATOM 667 O THR A 42 -1.000 -23.752 -2.760 1.00 0.00 O ATOM 668 CB THR A 42 0.190 -20.754 -1.942 1.00 0.00 C ATOM 669 OG1 THR A 42 0.295 -19.364 -2.220 1.00 0.00 O ATOM 670 CG2 THR A 42 1.568 -21.311 -1.588 1.00 0.00 C ATOM 0 H THR A 42 -1.060 -19.573 -3.704 1.00 0.00 H new ATOM 0 HA THR A 42 0.472 -21.940 -3.719 1.00 0.00 H new ATOM 0 HB THR A 42 -0.487 -20.907 -1.102 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.602 -18.980 -2.313 1.00 0.00 H new ATOM 0 HG21 THR A 42 1.954 -20.795 -0.709 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.486 -22.377 -1.376 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.248 -21.159 -2.426 1.00 0.00 H new ATOM 678 N LEU A 43 -2.531 -22.154 -2.353 1.00 0.00 N ATOM 679 CA LEU A 43 -3.547 -23.102 -1.916 1.00 0.00 C ATOM 680 C LEU A 43 -3.838 -24.117 -3.017 1.00 0.00 C ATOM 681 O LEU A 43 -3.909 -25.319 -2.763 1.00 0.00 O ATOM 682 CB LEU A 43 -4.833 -22.356 -1.549 1.00 0.00 C ATOM 683 CG LEU A 43 -5.128 -22.535 -0.058 1.00 0.00 C ATOM 684 CD1 LEU A 43 -6.285 -21.621 0.346 1.00 0.00 C ATOM 685 CD2 LEU A 43 -5.509 -23.992 0.221 1.00 0.00 C ATOM 0 H LEU A 43 -2.823 -21.177 -2.332 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.174 -23.632 -1.040 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.730 -21.297 -1.784 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.666 -22.734 -2.142 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.240 -22.277 0.519 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.495 -21.748 1.408 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.014 -20.583 0.152 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.172 -21.879 -0.233 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.718 -24.116 1.283 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.396 -24.253 -0.357 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.684 -24.645 -0.065 1.00 0.00 H new ATOM 697 N GLN A 44 -4.003 -23.626 -4.240 1.00 0.00 N ATOM 698 CA GLN A 44 -4.284 -24.500 -5.370 1.00 0.00 C ATOM 699 C GLN A 44 -3.200 -25.566 -5.507 1.00 0.00 C ATOM 700 O GLN A 44 -3.498 -26.748 -5.680 1.00 0.00 O ATOM 701 CB GLN A 44 -4.360 -23.678 -6.656 1.00 0.00 C ATOM 702 CG GLN A 44 -5.742 -23.032 -6.770 1.00 0.00 C ATOM 703 CD GLN A 44 -6.723 -24.011 -7.405 1.00 0.00 C ATOM 704 OE1 GLN A 44 -6.560 -24.392 -8.564 1.00 0.00 O ATOM 705 NE2 GLN A 44 -7.741 -24.442 -6.711 1.00 0.00 N ATOM 0 H GLN A 44 -3.947 -22.634 -4.472 1.00 0.00 H new ATOM 0 HA GLN A 44 -5.240 -24.993 -5.196 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.587 -22.910 -6.655 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -4.173 -24.316 -7.519 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.097 -22.737 -5.783 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.680 -22.125 -7.371 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.874 -24.125 -5.751 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -8.403 -25.096 -7.129 1.00 0.00 H new ATOM 714 N GLN A 45 -1.944 -25.139 -5.432 1.00 0.00 N ATOM 715 CA GLN A 45 -0.825 -26.066 -5.553 1.00 0.00 C ATOM 716 C GLN A 45 -0.831 -27.067 -4.401 1.00 0.00 C ATOM 717 O GLN A 45 -0.649 -28.267 -4.608 1.00 0.00 O ATOM 718 CB GLN A 45 0.493 -25.291 -5.551 1.00 0.00 C ATOM 719 CG GLN A 45 0.851 -24.881 -6.981 1.00 0.00 C ATOM 720 CD GLN A 45 1.650 -25.991 -7.655 1.00 0.00 C ATOM 721 OE1 GLN A 45 2.862 -26.093 -7.457 1.00 0.00 O ATOM 722 NE2 GLN A 45 1.042 -26.833 -8.446 1.00 0.00 N ATOM 0 H GLN A 45 -1.677 -24.165 -5.289 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.926 -26.611 -6.492 1.00 0.00 H new ATOM 0 HB2 GLN A 45 0.405 -24.407 -4.920 1.00 0.00 H new ATOM 0 HB3 GLN A 45 1.287 -25.906 -5.129 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.057 -24.679 -7.549 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.432 -23.959 -6.969 1.00 0.00 H new ATOM 0 HE21 GLN A 45 0.039 -26.747 -8.608 1.00 0.00 H new ATOM 0 HE22 GLN A 45 1.570 -27.577 -8.902 1.00 0.00 H new ATOM 731 N LYS A 46 -1.040 -26.566 -3.188 1.00 0.00 N ATOM 732 CA LYS A 46 -1.066 -27.427 -2.012 1.00 0.00 C ATOM 733 C LYS A 46 -2.241 -28.398 -2.084 1.00 0.00 C ATOM 734 O LYS A 46 -2.173 -29.508 -1.555 1.00 0.00 O ATOM 735 CB LYS A 46 -1.179 -26.577 -0.744 1.00 0.00 C ATOM 736 CG LYS A 46 0.217 -26.138 -0.297 1.00 0.00 C ATOM 737 CD LYS A 46 0.102 -24.907 0.602 1.00 0.00 C ATOM 738 CE LYS A 46 1.387 -24.747 1.416 1.00 0.00 C ATOM 739 NZ LYS A 46 1.435 -25.791 2.478 1.00 0.00 N ATOM 0 H LYS A 46 -1.193 -25.576 -2.994 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.139 -27.999 -1.983 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.803 -25.704 -0.933 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.663 -27.149 0.048 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.710 -26.948 0.240 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.834 -25.910 -1.166 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.071 -24.017 -0.003 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.753 -25.010 1.270 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.256 -24.836 0.764 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.425 -23.754 1.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 2.045 -25.467 3.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.475 -25.963 2.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.819 -26.672 2.081 1.00 0.00 H new ATOM 753 N ILE A 47 -3.314 -27.974 -2.741 1.00 0.00 N ATOM 754 CA ILE A 47 -4.498 -28.814 -2.875 1.00 0.00 C ATOM 755 C ILE A 47 -4.245 -29.937 -3.877 1.00 0.00 C ATOM 756 O ILE A 47 -4.620 -31.087 -3.643 1.00 0.00 O ATOM 757 CB ILE A 47 -5.688 -27.971 -3.339 1.00 0.00 C ATOM 758 CG1 ILE A 47 -6.207 -27.136 -2.166 1.00 0.00 C ATOM 759 CG2 ILE A 47 -6.801 -28.891 -3.841 1.00 0.00 C ATOM 760 CD1 ILE A 47 -7.033 -25.965 -2.699 1.00 0.00 C ATOM 0 H ILE A 47 -3.389 -27.060 -3.187 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.722 -29.252 -1.903 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.373 -27.310 -4.146 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.816 -27.755 -1.507 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.372 -26.765 -1.572 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.648 -28.290 -4.171 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.432 -29.487 -4.675 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.118 -29.552 -3.035 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.403 -25.370 -1.864 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.409 -25.342 -3.340 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.877 -26.347 -3.274 1.00 0.00 H new ATOM 772 N TRP A 48 -3.609 -29.596 -4.993 1.00 0.00 N ATOM 773 CA TRP A 48 -3.312 -30.583 -6.024 1.00 0.00 C ATOM 774 C TRP A 48 -1.917 -30.352 -6.599 1.00 0.00 C ATOM 775 O TRP A 48 -1.769 -29.855 -7.716 1.00 0.00 O ATOM 776 CB TRP A 48 -4.350 -30.499 -7.143 1.00 0.00 C ATOM 777 CG TRP A 48 -4.340 -31.771 -7.928 1.00 0.00 C ATOM 778 CD1 TRP A 48 -3.901 -31.897 -9.201 1.00 0.00 C ATOM 779 CD2 TRP A 48 -4.780 -33.098 -7.516 1.00 0.00 C ATOM 780 NE1 TRP A 48 -4.043 -33.213 -9.597 1.00 0.00 N ATOM 781 CE2 TRP A 48 -4.581 -33.995 -8.593 1.00 0.00 C ATOM 782 CE3 TRP A 48 -5.327 -33.606 -6.323 1.00 0.00 C ATOM 783 CZ2 TRP A 48 -4.913 -35.345 -8.491 1.00 0.00 C ATOM 784 CZ3 TRP A 48 -5.663 -34.966 -6.218 1.00 0.00 C ATOM 785 CH2 TRP A 48 -5.456 -35.833 -7.300 1.00 0.00 C ATOM 0 H TRP A 48 -3.291 -28.650 -5.206 1.00 0.00 H new ATOM 0 HA TRP A 48 -3.347 -31.575 -5.573 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.341 -30.326 -6.722 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -4.129 -29.654 -7.796 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -3.504 -31.098 -9.810 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -3.782 -33.564 -10.518 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -5.489 -32.946 -5.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -4.752 -36.009 -9.327 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -6.083 -35.346 -5.298 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -5.716 -36.878 -7.213 1.00 0.00 H new ATOM 796 N PRO A 49 -0.899 -30.697 -5.855 1.00 0.00 N ATOM 797 CA PRO A 49 0.512 -30.523 -6.290 1.00 0.00 C ATOM 798 C PRO A 49 0.974 -31.641 -7.221 1.00 0.00 C ATOM 799 O PRO A 49 1.953 -31.440 -7.919 1.00 0.00 O ATOM 800 CB PRO A 49 1.295 -30.545 -4.977 1.00 0.00 C ATOM 801 CG PRO A 49 0.466 -31.348 -4.025 1.00 0.00 C ATOM 802 CD PRO A 49 -0.986 -31.295 -4.514 1.00 0.00 C ATOM 0 HA PRO A 49 0.654 -29.607 -6.864 1.00 0.00 H new ATOM 0 HB2 PRO A 49 2.278 -30.994 -5.115 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.456 -29.535 -4.600 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.819 -32.378 -3.985 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.545 -30.945 -3.015 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -1.429 -32.290 -4.551 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.607 -30.694 -3.850 1.00 0.00 H new TER 810 PRO A 49