USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=10 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0312 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 89:sc= 0.543 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -46:sc= -0.0551 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -85:sc= 1.03 USER MOD Single : A 32 THR OG1 : rot 80:sc= 0.275 USER MOD Single : A 38 SER OG : rot 180:sc= -0.0768 USER MOD Single : A 39 HIS : no HD1:sc= -0.417 K(o=-0.42,f=-1.3!) USER MOD Single : A 42 THR OG1 : rot -25:sc= 0.369 USER MOD Single : A 44 GLN : amide:sc=-0.000659 X(o=-0.00066,f=-0.11) USER MOD Single : A 45 GLN : amide:sc= -0.401 X(o=-0.4,f=-0.35) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -29.377 12.656 -2.105 1.00 0.00 N ATOM 2 CA MET A 1 -27.963 12.889 -2.518 1.00 0.00 C ATOM 3 C MET A 1 -27.930 13.925 -3.635 1.00 0.00 C ATOM 4 O MET A 1 -27.901 13.580 -4.816 1.00 0.00 O ATOM 5 CB MET A 1 -27.356 11.573 -3.008 1.00 0.00 C ATOM 6 CG MET A 1 -26.653 10.872 -1.845 1.00 0.00 C ATOM 7 SD MET A 1 -25.990 9.285 -2.410 1.00 0.00 S ATOM 8 CE MET A 1 -24.393 9.900 -2.998 1.00 0.00 C ATOM 0 H1 MET A 1 -29.404 11.949 -1.343 1.00 0.00 H new ATOM 0 H2 MET A 1 -29.791 13.548 -1.765 1.00 0.00 H new ATOM 0 H3 MET A 1 -29.924 12.308 -2.919 1.00 0.00 H new ATOM 0 HA MET A 1 -27.385 13.256 -1.670 1.00 0.00 H new ATOM 0 HB2 MET A 1 -28.136 10.930 -3.416 1.00 0.00 H new ATOM 0 HB3 MET A 1 -26.647 11.765 -3.813 1.00 0.00 H new ATOM 0 HG2 MET A 1 -25.848 11.499 -1.461 1.00 0.00 H new ATOM 0 HG3 MET A 1 -27.353 10.715 -1.024 1.00 0.00 H new ATOM 0 HE1 MET A 1 -23.808 9.071 -3.397 1.00 0.00 H new ATOM 0 HE2 MET A 1 -24.554 10.640 -3.782 1.00 0.00 H new ATOM 0 HE3 MET A 1 -23.853 10.360 -2.170 1.00 0.00 H new ATOM 20 N SER A 2 -27.939 15.197 -3.255 1.00 0.00 N ATOM 21 CA SER A 2 -27.917 16.276 -4.232 1.00 0.00 C ATOM 22 C SER A 2 -26.494 16.627 -4.619 1.00 0.00 C ATOM 23 O SER A 2 -26.292 17.508 -5.454 1.00 0.00 O ATOM 24 CB SER A 2 -28.601 17.517 -3.664 1.00 0.00 C ATOM 25 OG SER A 2 -27.643 18.299 -2.959 1.00 0.00 O ATOM 0 H SER A 2 -27.961 15.504 -2.283 1.00 0.00 H new ATOM 0 HA SER A 2 -28.452 15.935 -5.118 1.00 0.00 H new ATOM 0 HB2 SER A 2 -29.045 18.103 -4.469 1.00 0.00 H new ATOM 0 HB3 SER A 2 -29.412 17.226 -2.997 1.00 0.00 H new ATOM 0 HG SER A 2 -28.078 19.098 -2.594 1.00 0.00 H new ATOM 31 N GLU A 3 -25.526 15.936 -4.002 1.00 0.00 N ATOM 32 CA GLU A 3 -24.107 16.173 -4.271 1.00 0.00 C ATOM 33 C GLU A 3 -23.895 17.537 -4.920 1.00 0.00 C ATOM 34 O GLU A 3 -23.609 17.629 -6.116 1.00 0.00 O ATOM 35 CB GLU A 3 -23.564 15.083 -5.194 1.00 0.00 C ATOM 36 CG GLU A 3 -22.032 15.095 -5.159 1.00 0.00 C ATOM 37 CD GLU A 3 -21.478 14.991 -6.576 1.00 0.00 C ATOM 38 OE1 GLU A 3 -21.574 13.922 -7.155 1.00 0.00 O ATOM 39 OE2 GLU A 3 -20.961 15.984 -7.060 1.00 0.00 O ATOM 0 H GLU A 3 -25.704 15.207 -3.311 1.00 0.00 H new ATOM 0 HA GLU A 3 -23.573 16.152 -3.321 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -23.937 14.108 -4.881 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -23.916 15.247 -6.213 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -21.678 16.012 -4.687 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -21.667 14.264 -4.555 1.00 0.00 H new ATOM 46 N PRO A 4 -24.049 18.582 -4.156 1.00 0.00 N ATOM 47 CA PRO A 4 -23.890 19.978 -4.654 1.00 0.00 C ATOM 48 C PRO A 4 -22.533 20.196 -5.318 1.00 0.00 C ATOM 49 O PRO A 4 -21.571 19.487 -5.026 1.00 0.00 O ATOM 50 CB PRO A 4 -24.023 20.838 -3.393 1.00 0.00 C ATOM 51 CG PRO A 4 -24.765 19.991 -2.413 1.00 0.00 C ATOM 52 CD PRO A 4 -24.386 18.546 -2.725 1.00 0.00 C ATOM 0 HA PRO A 4 -24.627 20.224 -5.419 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -23.044 21.122 -3.006 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -24.563 21.762 -3.602 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -24.494 20.252 -1.390 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -25.841 20.140 -2.506 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -23.541 18.213 -2.122 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -25.211 17.862 -2.524 1.00 0.00 H new ATOM 60 N ALA A 5 -22.466 21.178 -6.210 1.00 0.00 N ATOM 61 CA ALA A 5 -21.222 21.477 -6.910 1.00 0.00 C ATOM 62 C ALA A 5 -20.168 21.989 -5.936 1.00 0.00 C ATOM 63 O ALA A 5 -19.018 22.220 -6.308 1.00 0.00 O ATOM 64 CB ALA A 5 -21.471 22.526 -7.993 1.00 0.00 C ATOM 0 H ALA A 5 -23.252 21.777 -6.464 1.00 0.00 H new ATOM 0 HA ALA A 5 -20.858 20.559 -7.371 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -20.537 22.743 -8.511 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -22.201 22.146 -8.707 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -21.853 23.438 -7.535 1.00 0.00 H new ATOM 70 N SER A 6 -20.570 22.165 -4.683 1.00 0.00 N ATOM 71 CA SER A 6 -19.653 22.653 -3.659 1.00 0.00 C ATOM 72 C SER A 6 -18.524 21.655 -3.436 1.00 0.00 C ATOM 73 O SER A 6 -17.388 22.038 -3.159 1.00 0.00 O ATOM 74 CB SER A 6 -20.406 22.883 -2.347 1.00 0.00 C ATOM 75 OG SER A 6 -21.238 24.029 -2.481 1.00 0.00 O ATOM 0 H SER A 6 -21.517 21.979 -4.353 1.00 0.00 H new ATOM 0 HA SER A 6 -19.226 23.597 -3.998 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.008 22.008 -2.101 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.700 23.025 -1.529 1.00 0.00 H new ATOM 0 HG SER A 6 -21.724 24.180 -1.644 1.00 0.00 H new ATOM 81 N LEU A 7 -18.843 20.373 -3.561 1.00 0.00 N ATOM 82 CA LEU A 7 -17.843 19.329 -3.367 1.00 0.00 C ATOM 83 C LEU A 7 -16.720 19.467 -4.389 1.00 0.00 C ATOM 84 O LEU A 7 -15.542 19.450 -4.037 1.00 0.00 O ATOM 85 CB LEU A 7 -18.497 17.950 -3.500 1.00 0.00 C ATOM 86 CG LEU A 7 -18.023 17.037 -2.364 1.00 0.00 C ATOM 87 CD1 LEU A 7 -18.768 15.704 -2.434 1.00 0.00 C ATOM 88 CD2 LEU A 7 -16.517 16.785 -2.501 1.00 0.00 C ATOM 0 H LEU A 7 -19.776 20.033 -3.793 1.00 0.00 H new ATOM 0 HA LEU A 7 -17.421 19.434 -2.368 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -19.582 18.048 -3.471 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -18.243 17.508 -4.464 1.00 0.00 H new ATOM 0 HG LEU A 7 -18.226 17.518 -1.407 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -18.430 15.055 -1.626 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -19.839 15.880 -2.334 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -18.567 15.225 -3.392 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -16.182 16.136 -1.692 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -16.314 16.306 -3.459 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -15.983 17.734 -2.449 1.00 0.00 H new ATOM 100 N LEU A 8 -17.093 19.603 -5.655 1.00 0.00 N ATOM 101 CA LEU A 8 -16.109 19.743 -6.720 1.00 0.00 C ATOM 102 C LEU A 8 -15.296 21.016 -6.534 1.00 0.00 C ATOM 103 O LEU A 8 -14.090 21.037 -6.776 1.00 0.00 O ATOM 104 CB LEU A 8 -16.811 19.774 -8.077 1.00 0.00 C ATOM 105 CG LEU A 8 -17.449 18.408 -8.364 1.00 0.00 C ATOM 106 CD1 LEU A 8 -18.969 18.552 -8.442 1.00 0.00 C ATOM 107 CD2 LEU A 8 -16.918 17.873 -9.696 1.00 0.00 C ATOM 0 H LEU A 8 -18.064 19.619 -5.968 1.00 0.00 H new ATOM 0 HA LEU A 8 -15.434 18.888 -6.681 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -17.575 20.551 -8.084 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -16.096 20.024 -8.861 1.00 0.00 H new ATOM 0 HG LEU A 8 -17.196 17.715 -7.562 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -19.417 17.579 -8.646 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -19.347 18.934 -7.494 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -19.228 19.246 -9.242 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -17.369 16.903 -9.904 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -17.172 18.570 -10.495 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -15.835 17.765 -9.639 1.00 0.00 H new ATOM 119 N THR A 9 -15.965 22.075 -6.105 1.00 0.00 N ATOM 120 CA THR A 9 -15.296 23.355 -5.890 1.00 0.00 C ATOM 121 C THR A 9 -14.547 23.351 -4.564 1.00 0.00 C ATOM 122 O THR A 9 -13.708 24.215 -4.311 1.00 0.00 O ATOM 123 CB THR A 9 -16.317 24.493 -5.901 1.00 0.00 C ATOM 124 OG1 THR A 9 -17.508 24.053 -6.541 1.00 0.00 O ATOM 125 CG2 THR A 9 -15.744 25.693 -6.657 1.00 0.00 C ATOM 0 H THR A 9 -16.964 22.077 -5.899 1.00 0.00 H new ATOM 0 HA THR A 9 -14.581 23.507 -6.698 1.00 0.00 H new ATOM 0 HB THR A 9 -16.541 24.788 -4.876 1.00 0.00 H new ATOM 0 HG1 THR A 9 -18.106 23.649 -5.878 1.00 0.00 H new ATOM 0 HG21 THR A 9 -16.474 26.502 -6.663 1.00 0.00 H new ATOM 0 HG22 THR A 9 -14.832 26.031 -6.165 1.00 0.00 H new ATOM 0 HG23 THR A 9 -15.517 25.402 -7.683 1.00 0.00 H new ATOM 133 N ALA A 10 -14.858 22.373 -3.724 1.00 0.00 N ATOM 134 CA ALA A 10 -14.211 22.259 -2.419 1.00 0.00 C ATOM 135 C ALA A 10 -13.206 21.114 -2.414 1.00 0.00 C ATOM 136 O ALA A 10 -12.539 20.859 -1.411 1.00 0.00 O ATOM 137 CB ALA A 10 -15.257 22.030 -1.326 1.00 0.00 C ATOM 0 H ALA A 10 -15.550 21.650 -3.919 1.00 0.00 H new ATOM 0 HA ALA A 10 -13.682 23.191 -2.220 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -14.761 21.947 -0.359 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -15.952 22.869 -1.306 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -15.804 21.110 -1.533 1.00 0.00 H new ATOM 143 N SER A 11 -13.100 20.433 -3.543 1.00 0.00 N ATOM 144 CA SER A 11 -12.169 19.314 -3.666 1.00 0.00 C ATOM 145 C SER A 11 -10.730 19.815 -3.709 1.00 0.00 C ATOM 146 O SER A 11 -9.787 19.025 -3.776 1.00 0.00 O ATOM 147 CB SER A 11 -12.470 18.514 -4.933 1.00 0.00 C ATOM 148 OG SER A 11 -12.160 17.146 -4.710 1.00 0.00 O ATOM 0 H SER A 11 -13.641 20.630 -4.385 1.00 0.00 H new ATOM 0 HA SER A 11 -12.293 18.670 -2.795 1.00 0.00 H new ATOM 0 HB2 SER A 11 -13.520 18.621 -5.203 1.00 0.00 H new ATOM 0 HB3 SER A 11 -11.885 18.900 -5.768 1.00 0.00 H new ATOM 0 HG SER A 11 -12.354 16.630 -5.521 1.00 0.00 H new ATOM 154 N ASP A 12 -10.569 21.130 -3.674 1.00 0.00 N ATOM 155 CA ASP A 12 -9.240 21.733 -3.712 1.00 0.00 C ATOM 156 C ASP A 12 -8.758 22.068 -2.306 1.00 0.00 C ATOM 157 O ASP A 12 -7.754 22.761 -2.130 1.00 0.00 O ATOM 158 CB ASP A 12 -9.267 23.004 -4.561 1.00 0.00 C ATOM 159 CG ASP A 12 -7.876 23.294 -5.113 1.00 0.00 C ATOM 160 OD1 ASP A 12 -6.926 22.725 -4.599 1.00 0.00 O ATOM 161 OD2 ASP A 12 -7.779 24.079 -6.041 1.00 0.00 O ATOM 0 H ASP A 12 -11.337 21.799 -3.620 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.551 21.014 -4.155 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -9.975 22.888 -5.381 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.611 23.845 -3.959 1.00 0.00 H new ATOM 166 N LEU A 13 -9.478 21.576 -1.306 1.00 0.00 N ATOM 167 CA LEU A 13 -9.112 21.829 0.082 1.00 0.00 C ATOM 168 C LEU A 13 -7.621 21.601 0.299 1.00 0.00 C ATOM 169 O LEU A 13 -6.976 22.340 1.040 1.00 0.00 O ATOM 170 CB LEU A 13 -9.911 20.906 1.010 1.00 0.00 C ATOM 171 CG LEU A 13 -9.668 19.446 0.619 1.00 0.00 C ATOM 172 CD1 LEU A 13 -8.748 18.786 1.647 1.00 0.00 C ATOM 173 CD2 LEU A 13 -11.003 18.702 0.578 1.00 0.00 C ATOM 0 H LEU A 13 -10.313 21.003 -1.428 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.344 22.869 0.312 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.613 21.070 2.046 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -10.974 21.138 0.943 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.198 19.407 -0.364 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.576 17.747 1.367 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.796 19.316 1.677 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.215 18.824 2.631 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.832 17.662 0.300 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -11.472 18.742 1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -11.658 19.171 -0.156 1.00 0.00 H new ATOM 185 N ASP A 14 -7.079 20.577 -0.358 1.00 0.00 N ATOM 186 CA ASP A 14 -5.660 20.265 -0.234 1.00 0.00 C ATOM 187 C ASP A 14 -5.280 19.137 -1.194 1.00 0.00 C ATOM 188 O ASP A 14 -5.232 17.966 -0.805 1.00 0.00 O ATOM 189 CB ASP A 14 -5.341 19.838 1.201 1.00 0.00 C ATOM 190 CG ASP A 14 -3.837 19.909 1.437 1.00 0.00 C ATOM 191 OD1 ASP A 14 -3.164 18.933 1.152 1.00 0.00 O ATOM 192 OD2 ASP A 14 -3.382 20.940 1.905 1.00 0.00 O ATOM 0 H ASP A 14 -7.598 19.954 -0.977 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.086 21.157 -0.484 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -5.860 20.486 1.907 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.699 18.823 1.377 1.00 0.00 H new ATOM 197 N PRO A 15 -5.016 19.467 -2.428 1.00 0.00 N ATOM 198 CA PRO A 15 -4.629 18.469 -3.467 1.00 0.00 C ATOM 199 C PRO A 15 -3.393 17.673 -3.065 1.00 0.00 C ATOM 200 O PRO A 15 -3.243 16.514 -3.444 1.00 0.00 O ATOM 201 CB PRO A 15 -4.345 19.322 -4.710 1.00 0.00 C ATOM 202 CG PRO A 15 -5.066 20.608 -4.483 1.00 0.00 C ATOM 203 CD PRO A 15 -5.063 20.829 -2.976 1.00 0.00 C ATOM 0 HA PRO A 15 -5.409 17.725 -3.626 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.275 19.489 -4.836 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.699 18.828 -5.615 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.570 21.430 -4.999 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.084 20.558 -4.868 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.203 21.419 -2.659 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -5.954 21.363 -2.647 1.00 0.00 H new ATOM 211 N LEU A 16 -2.510 18.303 -2.298 1.00 0.00 N ATOM 212 CA LEU A 16 -1.287 17.641 -1.856 1.00 0.00 C ATOM 213 C LEU A 16 -1.606 16.418 -1.006 1.00 0.00 C ATOM 214 O LEU A 16 -1.140 15.312 -1.290 1.00 0.00 O ATOM 215 CB LEU A 16 -0.431 18.616 -1.046 1.00 0.00 C ATOM 216 CG LEU A 16 1.031 18.164 -1.072 1.00 0.00 C ATOM 217 CD1 LEU A 16 1.775 18.909 -2.182 1.00 0.00 C ATOM 218 CD2 LEU A 16 1.684 18.473 0.276 1.00 0.00 C ATOM 0 H LEU A 16 -2.616 19.263 -1.971 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.738 17.316 -2.740 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.518 19.621 -1.459 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.789 18.662 -0.018 1.00 0.00 H new ATOM 0 HG LEU A 16 1.077 17.091 -1.260 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.816 18.588 -2.201 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.310 18.689 -3.143 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.730 19.982 -1.994 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.725 18.151 0.258 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.639 19.546 0.465 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.154 17.943 1.067 1.00 0.00 H new ATOM 230 N ILE A 17 -2.406 16.620 0.038 1.00 0.00 N ATOM 231 CA ILE A 17 -2.781 15.526 0.924 1.00 0.00 C ATOM 232 C ILE A 17 -3.568 14.467 0.162 1.00 0.00 C ATOM 233 O ILE A 17 -3.472 13.276 0.452 1.00 0.00 O ATOM 234 CB ILE A 17 -3.622 16.058 2.085 1.00 0.00 C ATOM 235 CG1 ILE A 17 -2.700 16.680 3.137 1.00 0.00 C ATOM 236 CG2 ILE A 17 -4.409 14.909 2.715 1.00 0.00 C ATOM 237 CD1 ILE A 17 -3.527 17.533 4.101 1.00 0.00 C ATOM 0 H ILE A 17 -2.804 17.525 0.289 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.871 15.072 1.316 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.316 16.813 1.715 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.176 15.897 3.685 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.940 17.293 2.653 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -5.008 15.289 3.542 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.065 14.464 1.967 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.716 14.154 3.086 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.870 17.976 4.850 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.030 18.325 3.546 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.270 16.907 4.595 1.00 0.00 H new ATOM 249 N LEU A 18 -4.347 14.911 -0.821 1.00 0.00 N ATOM 250 CA LEU A 18 -5.145 13.990 -1.624 1.00 0.00 C ATOM 251 C LEU A 18 -4.243 13.086 -2.454 1.00 0.00 C ATOM 252 O LEU A 18 -4.561 11.920 -2.679 1.00 0.00 O ATOM 253 CB LEU A 18 -6.077 14.777 -2.547 1.00 0.00 C ATOM 254 CG LEU A 18 -7.526 14.574 -2.107 1.00 0.00 C ATOM 255 CD1 LEU A 18 -8.438 15.514 -2.898 1.00 0.00 C ATOM 256 CD2 LEU A 18 -7.940 13.123 -2.368 1.00 0.00 C ATOM 0 H LEU A 18 -4.442 15.893 -1.079 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.740 13.370 -0.953 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.823 15.837 -2.519 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.950 14.446 -3.578 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.615 14.793 -1.043 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.471 15.368 -2.583 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.144 16.547 -2.713 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.349 15.297 -3.962 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.974 12.978 -2.054 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.850 12.905 -3.432 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.292 12.453 -1.804 1.00 0.00 H new ATOM 268 N THR A 19 -3.115 13.632 -2.904 1.00 0.00 N ATOM 269 CA THR A 19 -2.171 12.864 -3.705 1.00 0.00 C ATOM 270 C THR A 19 -1.558 11.743 -2.874 1.00 0.00 C ATOM 271 O THR A 19 -1.551 10.585 -3.290 1.00 0.00 O ATOM 272 CB THR A 19 -1.063 13.780 -4.230 1.00 0.00 C ATOM 273 OG1 THR A 19 -1.435 15.136 -4.033 1.00 0.00 O ATOM 274 CG2 THR A 19 -0.850 13.522 -5.722 1.00 0.00 C ATOM 0 H THR A 19 -2.836 14.597 -2.728 1.00 0.00 H new ATOM 0 HA THR A 19 -2.707 12.427 -4.548 1.00 0.00 H new ATOM 0 HB THR A 19 -0.138 13.575 -3.691 1.00 0.00 H new ATOM 0 HG1 THR A 19 -2.362 15.266 -4.323 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.061 14.175 -6.095 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.563 12.482 -5.874 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.775 13.725 -6.262 1.00 0.00 H new ATOM 282 N LEU A 20 -1.047 12.095 -1.698 1.00 0.00 N ATOM 283 CA LEU A 20 -0.434 11.109 -0.816 1.00 0.00 C ATOM 284 C LEU A 20 -1.448 10.037 -0.432 1.00 0.00 C ATOM 285 O LEU A 20 -1.124 8.850 -0.392 1.00 0.00 O ATOM 286 CB LEU A 20 0.093 11.793 0.446 1.00 0.00 C ATOM 287 CG LEU A 20 1.309 12.649 0.092 1.00 0.00 C ATOM 288 CD1 LEU A 20 1.312 13.915 0.953 1.00 0.00 C ATOM 289 CD2 LEU A 20 2.588 11.852 0.355 1.00 0.00 C ATOM 0 H LEU A 20 -1.045 13.049 -1.336 1.00 0.00 H new ATOM 0 HA LEU A 20 0.395 10.638 -1.344 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.686 12.414 0.888 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.366 11.045 1.191 1.00 0.00 H new ATOM 0 HG LEU A 20 1.263 12.926 -0.961 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.179 14.525 0.700 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.401 14.484 0.766 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.358 13.639 2.006 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.455 12.462 0.103 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.634 11.574 1.408 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.588 10.951 -0.258 1.00 0.00 H new ATOM 301 N SER A 21 -2.676 10.466 -0.148 1.00 0.00 N ATOM 302 CA SER A 21 -3.731 9.534 0.232 1.00 0.00 C ATOM 303 C SER A 21 -4.081 8.616 -0.934 1.00 0.00 C ATOM 304 O SER A 21 -4.122 7.396 -0.782 1.00 0.00 O ATOM 305 CB SER A 21 -4.977 10.304 0.668 1.00 0.00 C ATOM 306 OG SER A 21 -6.108 9.444 0.603 1.00 0.00 O ATOM 0 H SER A 21 -2.962 11.445 -0.174 1.00 0.00 H new ATOM 0 HA SER A 21 -3.370 8.927 1.062 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.849 10.680 1.683 1.00 0.00 H new ATOM 0 HB3 SER A 21 -5.127 11.170 0.024 1.00 0.00 H new ATOM 0 HG SER A 21 -6.909 9.935 0.884 1.00 0.00 H new ATOM 312 N LEU A 22 -4.331 9.209 -2.098 1.00 0.00 N ATOM 313 CA LEU A 22 -4.675 8.430 -3.280 1.00 0.00 C ATOM 314 C LEU A 22 -3.596 7.394 -3.571 1.00 0.00 C ATOM 315 O LEU A 22 -3.899 6.262 -3.945 1.00 0.00 O ATOM 316 CB LEU A 22 -4.836 9.358 -4.485 1.00 0.00 C ATOM 317 CG LEU A 22 -5.405 8.570 -5.665 1.00 0.00 C ATOM 318 CD1 LEU A 22 -6.826 9.048 -5.964 1.00 0.00 C ATOM 319 CD2 LEU A 22 -4.523 8.795 -6.894 1.00 0.00 C ATOM 0 H LEU A 22 -4.302 10.218 -2.246 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.616 7.912 -3.092 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.499 10.186 -4.234 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.873 9.792 -4.754 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.426 7.509 -5.418 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.230 8.485 -6.806 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.455 8.891 -5.087 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.808 10.109 -6.213 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.925 8.235 -7.738 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.505 9.857 -7.139 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.510 8.454 -6.682 1.00 0.00 H new ATOM 331 N ILE A 23 -2.339 7.789 -3.400 1.00 0.00 N ATOM 332 CA ILE A 23 -1.228 6.881 -3.653 1.00 0.00 C ATOM 333 C ILE A 23 -1.316 5.659 -2.742 1.00 0.00 C ATOM 334 O ILE A 23 -1.449 4.532 -3.217 1.00 0.00 O ATOM 335 CB ILE A 23 0.099 7.605 -3.409 1.00 0.00 C ATOM 336 CG1 ILE A 23 0.504 8.367 -4.674 1.00 0.00 C ATOM 337 CG2 ILE A 23 1.186 6.585 -3.059 1.00 0.00 C ATOM 338 CD1 ILE A 23 1.524 9.450 -4.316 1.00 0.00 C ATOM 0 H ILE A 23 -2.066 8.722 -3.091 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.280 6.551 -4.691 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.019 8.306 -2.582 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.930 7.679 -5.404 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.374 8.819 -5.136 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.129 7.103 -2.886 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.899 6.043 -2.158 1.00 0.00 H new ATOM 0 HG23 ILE A 23 1.304 5.882 -3.884 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.811 9.991 -5.217 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.082 10.144 -3.601 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.406 8.987 -3.874 1.00 0.00 H new ATOM 350 N LEU A 24 -1.236 5.890 -1.435 1.00 0.00 N ATOM 351 CA LEU A 24 -1.304 4.801 -0.474 1.00 0.00 C ATOM 352 C LEU A 24 -2.571 3.983 -0.680 1.00 0.00 C ATOM 353 O LEU A 24 -2.592 2.780 -0.428 1.00 0.00 O ATOM 354 CB LEU A 24 -1.281 5.362 0.951 1.00 0.00 C ATOM 355 CG LEU A 24 0.166 5.559 1.405 1.00 0.00 C ATOM 356 CD1 LEU A 24 0.221 6.640 2.487 1.00 0.00 C ATOM 357 CD2 LEU A 24 0.705 4.244 1.971 1.00 0.00 C ATOM 0 H LEU A 24 -1.125 6.816 -1.022 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.440 4.153 -0.624 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.816 6.311 0.987 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.795 4.680 1.629 1.00 0.00 H new ATOM 0 HG LEU A 24 0.774 5.867 0.554 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.253 6.780 2.810 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.163 7.577 2.085 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.387 6.334 3.338 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.736 4.383 2.295 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.096 3.937 2.821 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.667 3.474 1.201 1.00 0.00 H new ATOM 369 N VAL A 25 -3.621 4.646 -1.144 1.00 0.00 N ATOM 370 CA VAL A 25 -4.892 3.967 -1.381 1.00 0.00 C ATOM 371 C VAL A 25 -4.780 3.018 -2.567 1.00 0.00 C ATOM 372 O VAL A 25 -5.109 1.837 -2.461 1.00 0.00 O ATOM 373 CB VAL A 25 -5.991 4.995 -1.652 1.00 0.00 C ATOM 374 CG1 VAL A 25 -7.232 4.287 -2.200 1.00 0.00 C ATOM 375 CG2 VAL A 25 -6.350 5.713 -0.349 1.00 0.00 C ATOM 0 H VAL A 25 -3.622 5.642 -1.363 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.144 3.390 -0.491 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.635 5.721 -2.383 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.014 5.021 -2.393 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.979 3.775 -3.128 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.588 3.560 -1.470 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.133 6.446 -0.541 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.705 4.986 0.381 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.468 6.219 0.042 1.00 0.00 H new ATOM 385 N LEU A 26 -4.312 3.542 -3.695 1.00 0.00 N ATOM 386 CA LEU A 26 -4.160 2.730 -4.897 1.00 0.00 C ATOM 387 C LEU A 26 -3.135 1.627 -4.672 1.00 0.00 C ATOM 388 O LEU A 26 -3.301 0.504 -5.148 1.00 0.00 O ATOM 389 CB LEU A 26 -3.719 3.611 -6.069 1.00 0.00 C ATOM 390 CG LEU A 26 -4.933 3.956 -6.934 1.00 0.00 C ATOM 391 CD1 LEU A 26 -4.567 5.084 -7.901 1.00 0.00 C ATOM 392 CD2 LEU A 26 -5.369 2.722 -7.731 1.00 0.00 C ATOM 0 H LEU A 26 -4.033 4.517 -3.802 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.122 2.273 -5.129 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.253 4.524 -5.697 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.970 3.092 -6.666 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.752 4.278 -6.291 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.432 5.330 -8.517 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.263 5.964 -7.335 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.745 4.762 -8.541 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.234 2.973 -8.345 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.551 2.395 -8.372 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.633 1.919 -7.043 1.00 0.00 H new ATOM 404 N ILE A 27 -2.074 1.954 -3.942 1.00 0.00 N ATOM 405 CA ILE A 27 -1.026 0.980 -3.663 1.00 0.00 C ATOM 406 C ILE A 27 -1.545 -0.118 -2.744 1.00 0.00 C ATOM 407 O ILE A 27 -1.394 -1.305 -3.032 1.00 0.00 O ATOM 408 CB ILE A 27 0.174 1.673 -3.010 1.00 0.00 C ATOM 409 CG1 ILE A 27 1.066 2.283 -4.100 1.00 0.00 C ATOM 410 CG2 ILE A 27 0.980 0.658 -2.192 1.00 0.00 C ATOM 411 CD1 ILE A 27 2.063 1.236 -4.608 1.00 0.00 C ATOM 0 H ILE A 27 -1.918 2.877 -3.536 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.715 0.530 -4.606 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.182 2.462 -2.347 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.451 2.643 -4.925 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.602 3.145 -3.703 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.832 1.157 -1.730 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.346 0.230 -1.416 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.337 -0.136 -2.848 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.692 1.677 -5.381 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.688 0.897 -3.782 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.519 0.387 -5.023 1.00 0.00 H new ATOM 423 N SER A 28 -2.148 0.288 -1.632 1.00 0.00 N ATOM 424 CA SER A 28 -2.680 -0.676 -0.675 1.00 0.00 C ATOM 425 C SER A 28 -3.672 -1.612 -1.353 1.00 0.00 C ATOM 426 O SER A 28 -3.651 -2.825 -1.134 1.00 0.00 O ATOM 427 CB SER A 28 -3.368 0.059 0.475 1.00 0.00 C ATOM 428 OG SER A 28 -4.331 0.961 -0.054 1.00 0.00 O ATOM 0 H SER A 28 -2.280 1.266 -1.373 1.00 0.00 H new ATOM 0 HA SER A 28 -1.853 -1.268 -0.283 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.850 -0.656 1.142 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.631 0.602 1.068 1.00 0.00 H new ATOM 0 HG SER A 28 -3.892 1.803 -0.295 1.00 0.00 H new ATOM 434 N LEU A 29 -4.542 -1.044 -2.174 1.00 0.00 N ATOM 435 CA LEU A 29 -5.541 -1.837 -2.876 1.00 0.00 C ATOM 436 C LEU A 29 -4.874 -2.871 -3.774 1.00 0.00 C ATOM 437 O LEU A 29 -5.308 -4.020 -3.839 1.00 0.00 O ATOM 438 CB LEU A 29 -6.438 -0.923 -3.720 1.00 0.00 C ATOM 439 CG LEU A 29 -7.851 -0.879 -3.129 1.00 0.00 C ATOM 440 CD1 LEU A 29 -8.477 -2.277 -3.187 1.00 0.00 C ATOM 441 CD2 LEU A 29 -7.776 -0.409 -1.673 1.00 0.00 C ATOM 0 H LEU A 29 -4.577 -0.044 -2.370 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.148 -2.357 -2.135 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -6.018 0.082 -3.753 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.476 -1.286 -4.747 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.466 -0.187 -3.704 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -9.482 -2.243 -2.766 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -8.529 -2.610 -4.224 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.866 -2.973 -2.612 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -8.780 -0.376 -1.249 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.162 -1.102 -1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.333 0.586 -1.634 1.00 0.00 H new ATOM 453 N LEU A 30 -3.822 -2.455 -4.462 1.00 0.00 N ATOM 454 CA LEU A 30 -3.103 -3.356 -5.351 1.00 0.00 C ATOM 455 C LEU A 30 -2.487 -4.501 -4.559 1.00 0.00 C ATOM 456 O LEU A 30 -2.599 -5.666 -4.939 1.00 0.00 O ATOM 457 CB LEU A 30 -2.006 -2.589 -6.090 1.00 0.00 C ATOM 458 CG LEU A 30 -1.645 -3.331 -7.380 1.00 0.00 C ATOM 459 CD1 LEU A 30 -2.565 -2.863 -8.510 1.00 0.00 C ATOM 460 CD2 LEU A 30 -0.190 -3.034 -7.756 1.00 0.00 C ATOM 0 H LEU A 30 -3.449 -1.507 -4.423 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.806 -3.768 -6.075 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.346 -1.580 -6.321 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.125 -2.491 -5.455 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.768 -4.403 -7.226 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.309 -3.390 -9.429 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.601 -3.074 -8.247 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.440 -1.791 -8.660 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.064 -3.563 -8.674 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.065 -1.962 -7.909 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.468 -3.365 -6.953 1.00 0.00 H new ATOM 472 N LEU A 31 -1.827 -4.164 -3.455 1.00 0.00 N ATOM 473 CA LEU A 31 -1.192 -5.175 -2.623 1.00 0.00 C ATOM 474 C LEU A 31 -2.208 -6.204 -2.157 1.00 0.00 C ATOM 475 O LEU A 31 -1.932 -7.403 -2.164 1.00 0.00 O ATOM 476 CB LEU A 31 -0.533 -4.514 -1.408 1.00 0.00 C ATOM 477 CG LEU A 31 0.933 -4.951 -1.301 1.00 0.00 C ATOM 478 CD1 LEU A 31 1.004 -6.478 -1.209 1.00 0.00 C ATOM 479 CD2 LEU A 31 1.703 -4.475 -2.538 1.00 0.00 C ATOM 0 H LEU A 31 -1.720 -3.207 -3.120 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.431 -5.681 -3.218 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.592 -3.429 -1.498 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.069 -4.788 -0.500 1.00 0.00 H new ATOM 0 HG LEU A 31 1.378 -4.512 -0.408 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.046 -6.790 -1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.459 -6.815 -0.327 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.558 -6.917 -2.101 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.745 -4.786 -2.460 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.260 -4.912 -3.433 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.653 -3.388 -2.602 1.00 0.00 H new ATOM 491 N THR A 32 -3.379 -5.731 -1.749 1.00 0.00 N ATOM 492 CA THR A 32 -4.430 -6.623 -1.280 1.00 0.00 C ATOM 493 C THR A 32 -4.838 -7.591 -2.385 1.00 0.00 C ATOM 494 O THR A 32 -4.979 -8.790 -2.154 1.00 0.00 O ATOM 495 CB THR A 32 -5.646 -5.807 -0.836 1.00 0.00 C ATOM 496 OG1 THR A 32 -5.216 -4.528 -0.390 1.00 0.00 O ATOM 497 CG2 THR A 32 -6.359 -6.534 0.304 1.00 0.00 C ATOM 0 H THR A 32 -3.623 -4.741 -1.733 1.00 0.00 H new ATOM 0 HA THR A 32 -4.049 -7.195 -0.434 1.00 0.00 H new ATOM 0 HB THR A 32 -6.333 -5.688 -1.674 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.046 -3.952 -1.164 1.00 0.00 H new ATOM 0 HG21 THR A 32 -7.225 -5.953 0.621 1.00 0.00 H new ATOM 0 HG22 THR A 32 -6.686 -7.516 -0.039 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.675 -6.652 1.144 1.00 0.00 H new ATOM 505 N VAL A 33 -5.022 -7.062 -3.591 1.00 0.00 N ATOM 506 CA VAL A 33 -5.412 -7.892 -4.725 1.00 0.00 C ATOM 507 C VAL A 33 -4.307 -8.886 -5.064 1.00 0.00 C ATOM 508 O VAL A 33 -4.575 -10.055 -5.338 1.00 0.00 O ATOM 509 CB VAL A 33 -5.700 -7.011 -5.941 1.00 0.00 C ATOM 510 CG1 VAL A 33 -5.860 -7.889 -7.184 1.00 0.00 C ATOM 511 CG2 VAL A 33 -6.993 -6.226 -5.705 1.00 0.00 C ATOM 0 H VAL A 33 -4.909 -6.072 -3.807 1.00 0.00 H new ATOM 0 HA VAL A 33 -6.312 -8.444 -4.456 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.872 -6.318 -6.090 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.065 -7.260 -8.050 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.941 -8.451 -7.353 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.687 -8.583 -7.035 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -7.200 -5.597 -6.571 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.819 -6.922 -5.556 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.882 -5.600 -4.820 1.00 0.00 H new ATOM 521 N LEU A 34 -3.063 -8.416 -5.047 1.00 0.00 N ATOM 522 CA LEU A 34 -1.931 -9.281 -5.361 1.00 0.00 C ATOM 523 C LEU A 34 -1.781 -10.374 -4.307 1.00 0.00 C ATOM 524 O LEU A 34 -1.711 -11.556 -4.637 1.00 0.00 O ATOM 525 CB LEU A 34 -0.654 -8.448 -5.401 1.00 0.00 C ATOM 526 CG LEU A 34 -0.685 -7.509 -6.613 1.00 0.00 C ATOM 527 CD1 LEU A 34 0.140 -6.252 -6.320 1.00 0.00 C ATOM 528 CD2 LEU A 34 -0.090 -8.228 -7.828 1.00 0.00 C ATOM 0 H LEU A 34 -2.815 -7.453 -4.822 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.107 -9.747 -6.331 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.558 -7.869 -4.483 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.216 -9.102 -5.458 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.717 -7.225 -6.818 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.114 -5.590 -7.185 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.277 -5.736 -5.455 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.172 -6.535 -6.111 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.111 -7.562 -8.691 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.940 -8.512 -7.614 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.675 -9.122 -8.045 1.00 0.00 H new ATOM 540 N ALA A 35 -1.742 -9.971 -3.043 1.00 0.00 N ATOM 541 CA ALA A 35 -1.609 -10.927 -1.950 1.00 0.00 C ATOM 542 C ALA A 35 -2.759 -11.923 -1.982 1.00 0.00 C ATOM 543 O ALA A 35 -2.604 -13.085 -1.604 1.00 0.00 O ATOM 544 CB ALA A 35 -1.597 -10.195 -0.608 1.00 0.00 C ATOM 0 H ALA A 35 -1.800 -8.996 -2.750 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.669 -11.465 -2.070 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.497 -10.919 0.201 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.757 -9.501 -0.579 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.528 -9.642 -0.487 1.00 0.00 H new ATOM 550 N LEU A 36 -3.916 -11.458 -2.431 1.00 0.00 N ATOM 551 CA LEU A 36 -5.098 -12.320 -2.501 1.00 0.00 C ATOM 552 C LEU A 36 -4.912 -13.404 -3.558 1.00 0.00 C ATOM 553 O LEU A 36 -5.153 -14.585 -3.301 1.00 0.00 O ATOM 554 CB LEU A 36 -6.339 -11.489 -2.836 1.00 0.00 C ATOM 555 CG LEU A 36 -7.574 -12.393 -2.861 1.00 0.00 C ATOM 556 CD1 LEU A 36 -8.719 -11.716 -2.105 1.00 0.00 C ATOM 557 CD2 LEU A 36 -7.998 -12.637 -4.311 1.00 0.00 C ATOM 0 H LEU A 36 -4.066 -10.501 -2.750 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.231 -12.794 -1.528 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.470 -10.699 -2.097 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.213 -11.003 -3.803 1.00 0.00 H new ATOM 0 HG LEU A 36 -7.336 -13.344 -2.385 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.598 -12.360 -2.123 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -8.419 -11.540 -1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.957 -10.764 -2.581 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.877 -13.281 -4.330 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -8.235 -11.685 -4.786 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.184 -13.119 -4.852 1.00 0.00 H new ATOM 569 N LEU A 37 -4.485 -12.995 -4.749 1.00 0.00 N ATOM 570 CA LEU A 37 -4.269 -13.938 -5.840 1.00 0.00 C ATOM 571 C LEU A 37 -3.106 -14.869 -5.516 1.00 0.00 C ATOM 572 O LEU A 37 -3.145 -16.060 -5.830 1.00 0.00 O ATOM 573 CB LEU A 37 -3.973 -13.180 -7.134 1.00 0.00 C ATOM 574 CG LEU A 37 -5.248 -12.495 -7.627 1.00 0.00 C ATOM 575 CD1 LEU A 37 -4.884 -11.203 -8.362 1.00 0.00 C ATOM 576 CD2 LEU A 37 -5.992 -13.431 -8.582 1.00 0.00 C ATOM 0 H LEU A 37 -4.283 -12.023 -4.982 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.173 -14.533 -5.968 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.192 -12.439 -6.963 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.600 -13.867 -7.893 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.886 -12.260 -6.775 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.794 -10.715 -8.713 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.353 -10.535 -7.683 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.246 -11.437 -9.214 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.901 -12.944 -8.934 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.353 -13.665 -9.433 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.253 -14.352 -8.060 1.00 0.00 H new ATOM 588 N SER A 38 -2.072 -14.323 -4.885 1.00 0.00 N ATOM 589 CA SER A 38 -0.904 -15.117 -4.523 1.00 0.00 C ATOM 590 C SER A 38 -1.296 -16.247 -3.576 1.00 0.00 C ATOM 591 O SER A 38 -0.882 -17.393 -3.757 1.00 0.00 O ATOM 592 CB SER A 38 0.145 -14.228 -3.853 1.00 0.00 C ATOM 593 OG SER A 38 0.352 -14.672 -2.519 1.00 0.00 O ATOM 0 H SER A 38 -2.019 -13.341 -4.615 1.00 0.00 H new ATOM 0 HA SER A 38 -0.486 -15.549 -5.432 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.081 -14.266 -4.411 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.186 -13.189 -3.856 1.00 0.00 H new ATOM 0 HG SER A 38 1.025 -14.106 -2.087 1.00 0.00 H new ATOM 599 N HIS A 39 -2.095 -15.917 -2.566 1.00 0.00 N ATOM 600 CA HIS A 39 -2.535 -16.914 -1.597 1.00 0.00 C ATOM 601 C HIS A 39 -3.346 -18.008 -2.284 1.00 0.00 C ATOM 602 O HIS A 39 -3.127 -19.196 -2.049 1.00 0.00 O ATOM 603 CB HIS A 39 -3.390 -16.248 -0.516 1.00 0.00 C ATOM 604 CG HIS A 39 -3.935 -17.299 0.410 1.00 0.00 C ATOM 605 ND1 HIS A 39 -5.103 -17.993 0.137 1.00 0.00 N ATOM 606 CD2 HIS A 39 -3.482 -17.786 1.612 1.00 0.00 C ATOM 607 CE1 HIS A 39 -5.312 -18.851 1.152 1.00 0.00 C ATOM 608 NE2 HIS A 39 -4.355 -18.766 2.078 1.00 0.00 N ATOM 0 H HIS A 39 -2.448 -14.975 -2.398 1.00 0.00 H new ATOM 0 HA HIS A 39 -1.653 -17.363 -1.140 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -2.792 -15.529 0.044 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -4.208 -15.693 -0.975 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -2.586 -17.459 2.118 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.153 -19.527 1.210 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -4.279 -19.303 2.942 1.00 0.00 H new ATOM 616 N ARG A 40 -4.281 -17.599 -3.136 1.00 0.00 N ATOM 617 CA ARG A 40 -5.119 -18.554 -3.852 1.00 0.00 C ATOM 618 C ARG A 40 -4.263 -19.470 -4.721 1.00 0.00 C ATOM 619 O ARG A 40 -4.497 -20.677 -4.789 1.00 0.00 O ATOM 620 CB ARG A 40 -6.129 -17.810 -4.728 1.00 0.00 C ATOM 621 CG ARG A 40 -7.484 -17.763 -4.019 1.00 0.00 C ATOM 622 CD ARG A 40 -8.459 -16.918 -4.840 1.00 0.00 C ATOM 623 NE ARG A 40 -9.702 -16.723 -4.101 1.00 0.00 N ATOM 624 CZ ARG A 40 -10.576 -17.714 -3.953 1.00 0.00 C ATOM 625 NH1 ARG A 40 -10.329 -18.886 -4.472 1.00 0.00 N ATOM 626 NH2 ARG A 40 -11.681 -17.515 -3.288 1.00 0.00 N ATOM 0 H ARG A 40 -4.476 -16.620 -3.346 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.653 -19.161 -3.121 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -5.776 -16.798 -4.928 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.228 -18.310 -5.692 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.876 -18.772 -3.894 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.370 -17.340 -3.021 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.009 -15.952 -5.071 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.666 -17.409 -5.791 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.904 -15.811 -3.691 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.465 -19.042 -4.991 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.000 -19.646 -4.358 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -11.874 -16.599 -2.882 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -12.352 -18.275 -3.174 1.00 0.00 H new ATOM 640 N ARG A 41 -3.268 -18.889 -5.383 1.00 0.00 N ATOM 641 CA ARG A 41 -2.384 -19.664 -6.246 1.00 0.00 C ATOM 642 C ARG A 41 -1.617 -20.702 -5.433 1.00 0.00 C ATOM 643 O ARG A 41 -1.524 -21.867 -5.828 1.00 0.00 O ATOM 644 CB ARG A 41 -1.396 -18.731 -6.951 1.00 0.00 C ATOM 645 CG ARG A 41 -1.277 -19.131 -8.422 1.00 0.00 C ATOM 646 CD ARG A 41 -0.275 -18.210 -9.122 1.00 0.00 C ATOM 647 NE ARG A 41 -0.042 -18.664 -10.489 1.00 0.00 N ATOM 648 CZ ARG A 41 0.787 -19.669 -10.745 1.00 0.00 C ATOM 649 NH1 ARG A 41 1.409 -20.269 -9.767 1.00 0.00 N ATOM 650 NH2 ARG A 41 0.980 -20.058 -11.975 1.00 0.00 N ATOM 0 H ARG A 41 -3.054 -17.893 -5.339 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.991 -20.180 -6.990 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.734 -17.698 -6.870 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.420 -18.786 -6.468 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.952 -20.168 -8.503 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.250 -19.064 -8.908 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.654 -17.188 -9.130 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.665 -18.197 -8.570 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.524 -18.202 -11.260 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.258 -19.966 -8.805 1.00 0.00 H new ATOM 0 HH12 ARG A 41 2.046 -21.041 -9.965 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.494 -19.590 -12.740 1.00 0.00 H new ATOM 0 HH22 ARG A 41 1.617 -20.830 -12.172 1.00 0.00 H new ATOM 664 N THR A 42 -1.072 -20.274 -4.298 1.00 0.00 N ATOM 665 CA THR A 42 -0.314 -21.176 -3.439 1.00 0.00 C ATOM 666 C THR A 42 -1.192 -22.333 -2.979 1.00 0.00 C ATOM 667 O THR A 42 -0.772 -23.488 -2.990 1.00 0.00 O ATOM 668 CB THR A 42 0.215 -20.414 -2.221 1.00 0.00 C ATOM 669 OG1 THR A 42 -0.873 -19.832 -1.517 1.00 0.00 O ATOM 670 CG2 THR A 42 1.174 -19.315 -2.683 1.00 0.00 C ATOM 0 H THR A 42 -1.140 -19.316 -3.954 1.00 0.00 H new ATOM 0 HA THR A 42 0.526 -21.575 -4.008 1.00 0.00 H new ATOM 0 HB THR A 42 0.745 -21.103 -1.563 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.623 -19.692 -2.132 1.00 0.00 H new ATOM 0 HG21 THR A 42 1.551 -18.773 -1.816 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.009 -19.763 -3.221 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.646 -18.625 -3.342 1.00 0.00 H new ATOM 678 N LEU A 43 -2.412 -22.013 -2.565 1.00 0.00 N ATOM 679 CA LEU A 43 -3.336 -23.039 -2.101 1.00 0.00 C ATOM 680 C LEU A 43 -3.555 -24.091 -3.176 1.00 0.00 C ATOM 681 O LEU A 43 -3.607 -25.284 -2.884 1.00 0.00 O ATOM 682 CB LEU A 43 -4.679 -22.399 -1.719 1.00 0.00 C ATOM 683 CG LEU A 43 -5.162 -22.951 -0.372 1.00 0.00 C ATOM 684 CD1 LEU A 43 -5.283 -24.474 -0.464 1.00 0.00 C ATOM 685 CD2 LEU A 43 -4.162 -22.580 0.730 1.00 0.00 C ATOM 0 H LEU A 43 -2.781 -21.062 -2.541 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.903 -23.522 -1.225 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.571 -21.316 -1.659 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.421 -22.603 -2.491 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.134 -22.520 -0.131 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -5.626 -24.870 0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.999 -24.736 -1.243 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.310 -24.902 -0.706 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.510 -22.974 1.685 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.187 -23.006 0.495 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.078 -21.495 0.795 1.00 0.00 H new ATOM 697 N GLN A 44 -3.682 -23.643 -4.418 1.00 0.00 N ATOM 698 CA GLN A 44 -3.892 -24.560 -5.529 1.00 0.00 C ATOM 699 C GLN A 44 -2.746 -25.561 -5.615 1.00 0.00 C ATOM 700 O GLN A 44 -2.968 -26.770 -5.658 1.00 0.00 O ATOM 701 CB GLN A 44 -3.992 -23.775 -6.837 1.00 0.00 C ATOM 702 CG GLN A 44 -5.336 -24.065 -7.505 1.00 0.00 C ATOM 703 CD GLN A 44 -5.421 -25.539 -7.889 1.00 0.00 C ATOM 704 OE1 GLN A 44 -6.238 -26.278 -7.339 1.00 0.00 O ATOM 705 NE2 GLN A 44 -4.620 -26.013 -8.804 1.00 0.00 N ATOM 0 H GLN A 44 -3.644 -22.658 -4.680 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.822 -25.104 -5.362 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.894 -22.707 -6.641 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.175 -24.053 -7.503 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.151 -23.810 -6.827 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.452 -23.442 -8.392 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -3.944 -25.399 -9.258 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -4.670 -26.998 -9.065 1.00 0.00 H new ATOM 714 N GLN A 45 -1.518 -25.048 -5.639 1.00 0.00 N ATOM 715 CA GLN A 45 -0.343 -25.911 -5.721 1.00 0.00 C ATOM 716 C GLN A 45 -0.293 -26.857 -4.526 1.00 0.00 C ATOM 717 O GLN A 45 -0.052 -28.054 -4.680 1.00 0.00 O ATOM 718 CB GLN A 45 0.927 -25.058 -5.754 1.00 0.00 C ATOM 719 CG GLN A 45 1.907 -25.643 -6.773 1.00 0.00 C ATOM 720 CD GLN A 45 2.231 -27.089 -6.415 1.00 0.00 C ATOM 721 OE1 GLN A 45 3.000 -27.343 -5.488 1.00 0.00 O ATOM 722 NE2 GLN A 45 1.686 -28.058 -7.097 1.00 0.00 N ATOM 0 H GLN A 45 -1.312 -24.050 -5.603 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.408 -26.501 -6.635 1.00 0.00 H new ATOM 0 HB2 GLN A 45 0.681 -24.030 -6.019 1.00 0.00 H new ATOM 0 HB3 GLN A 45 1.386 -25.031 -4.766 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.476 -25.595 -7.773 1.00 0.00 H new ATOM 0 HG3 GLN A 45 2.822 -25.051 -6.791 1.00 0.00 H new ATOM 0 HE21 GLN A 45 1.049 -27.846 -7.865 1.00 0.00 H new ATOM 0 HE22 GLN A 45 1.897 -29.028 -6.862 1.00 0.00 H new ATOM 731 N LYS A 46 -0.522 -26.311 -3.336 1.00 0.00 N ATOM 732 CA LYS A 46 -0.500 -27.116 -2.121 1.00 0.00 C ATOM 733 C LYS A 46 -1.508 -28.257 -2.217 1.00 0.00 C ATOM 734 O LYS A 46 -1.170 -29.418 -1.981 1.00 0.00 O ATOM 735 CB LYS A 46 -0.830 -26.243 -0.908 1.00 0.00 C ATOM 736 CG LYS A 46 -0.386 -26.955 0.371 1.00 0.00 C ATOM 737 CD LYS A 46 -0.638 -26.046 1.576 1.00 0.00 C ATOM 738 CE LYS A 46 -0.215 -26.766 2.859 1.00 0.00 C ATOM 739 NZ LYS A 46 1.241 -26.550 3.092 1.00 0.00 N ATOM 0 H LYS A 46 -0.723 -25.322 -3.188 1.00 0.00 H new ATOM 0 HA LYS A 46 0.499 -27.536 -2.005 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.328 -25.279 -0.993 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.901 -26.042 -0.872 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.933 -27.891 0.487 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.672 -27.210 0.309 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.078 -25.117 1.467 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.693 -25.778 1.628 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.789 -26.391 3.706 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.427 -27.832 2.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.529 -27.039 3.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.781 -26.928 2.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.430 -25.532 3.187 1.00 0.00 H new ATOM 753 N ILE A 47 -2.745 -27.919 -2.563 1.00 0.00 N ATOM 754 CA ILE A 47 -3.793 -28.926 -2.688 1.00 0.00 C ATOM 755 C ILE A 47 -3.414 -29.965 -3.737 1.00 0.00 C ATOM 756 O ILE A 47 -3.573 -31.168 -3.522 1.00 0.00 O ATOM 757 CB ILE A 47 -5.113 -28.261 -3.081 1.00 0.00 C ATOM 758 CG1 ILE A 47 -5.772 -27.663 -1.835 1.00 0.00 C ATOM 759 CG2 ILE A 47 -6.047 -29.304 -3.704 1.00 0.00 C ATOM 760 CD1 ILE A 47 -6.951 -26.780 -2.250 1.00 0.00 C ATOM 0 H ILE A 47 -3.045 -26.964 -2.760 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.910 -29.423 -1.725 1.00 0.00 H new ATOM 0 HB ILE A 47 -4.920 -27.470 -3.806 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.116 -28.460 -1.176 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.045 -27.076 -1.273 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.987 -28.829 -3.984 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.577 -29.729 -4.591 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.241 -30.096 -2.981 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.418 -26.356 -1.361 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.594 -25.975 -2.892 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.682 -27.380 -2.793 1.00 0.00 H new ATOM 772 N TRP A 48 -2.918 -29.493 -4.878 1.00 0.00 N ATOM 773 CA TRP A 48 -2.530 -30.393 -5.953 1.00 0.00 C ATOM 774 C TRP A 48 -1.342 -31.256 -5.530 1.00 0.00 C ATOM 775 O TRP A 48 -0.608 -30.905 -4.607 1.00 0.00 O ATOM 776 CB TRP A 48 -2.161 -29.589 -7.201 1.00 0.00 C ATOM 777 CG TRP A 48 -3.249 -29.722 -8.218 1.00 0.00 C ATOM 778 CD1 TRP A 48 -4.538 -29.355 -8.027 1.00 0.00 C ATOM 779 CD2 TRP A 48 -3.171 -30.245 -9.576 1.00 0.00 C ATOM 780 NE1 TRP A 48 -5.254 -29.619 -9.179 1.00 0.00 N ATOM 781 CE2 TRP A 48 -4.456 -30.169 -10.163 1.00 0.00 C ATOM 782 CE3 TRP A 48 -2.119 -30.774 -10.347 1.00 0.00 C ATOM 783 CZ2 TRP A 48 -4.690 -30.602 -11.469 1.00 0.00 C ATOM 784 CZ3 TRP A 48 -2.351 -31.211 -11.661 1.00 0.00 C ATOM 785 CH2 TRP A 48 -3.636 -31.124 -12.221 1.00 0.00 C ATOM 0 H TRP A 48 -2.777 -28.503 -5.078 1.00 0.00 H new ATOM 0 HA TRP A 48 -3.375 -31.044 -6.178 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -2.017 -28.540 -6.942 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -1.218 -29.948 -7.613 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -4.941 -28.926 -7.122 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -6.250 -29.431 -9.289 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -1.127 -30.844 -9.925 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -5.680 -30.534 -11.895 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -1.537 -31.616 -12.244 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -3.809 -31.461 -13.233 1.00 0.00 H new ATOM 796 N PRO A 49 -1.141 -32.365 -6.191 1.00 0.00 N ATOM 797 CA PRO A 49 -0.019 -33.300 -5.880 1.00 0.00 C ATOM 798 C PRO A 49 1.342 -32.698 -6.229 1.00 0.00 C ATOM 799 O PRO A 49 1.971 -32.153 -5.338 1.00 0.00 O ATOM 800 CB PRO A 49 -0.312 -34.526 -6.750 1.00 0.00 C ATOM 801 CG PRO A 49 -1.165 -34.025 -7.868 1.00 0.00 C ATOM 802 CD PRO A 49 -1.967 -32.857 -7.306 1.00 0.00 C ATOM 0 HA PRO A 49 0.036 -33.532 -4.816 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.610 -34.969 -7.127 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.827 -35.299 -6.179 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.552 -33.706 -8.711 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.827 -34.810 -8.234 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.126 -32.083 -8.057 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.951 -33.176 -6.964 1.00 0.00 H new TER 810 PRO A 49