USER MOD reduce.3.24.130724 H: found=0, std=0, add=335, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 339 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 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 17 SER OG : rot 75:sc= 1.05 USER MOD Single : A 19 THR OG1 : rot 87:sc= -0.811! USER MOD Single : A 21 MET CE :methyl 165:sc=-0.00679 (180deg=-0.234) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 166:sc=-0.00819 (180deg=-0.229) USER MOD Single : A 36 THR OG1 : rot -150:sc= -1.35 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 131:sc= 1.07! USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 CA PRO A 6 -26.613 -9.962 30.519 1.00 0.00 C ATOM 2 C PRO A 6 -26.604 -11.060 29.468 1.00 0.00 C ATOM 3 O PRO A 6 -25.848 -11.002 28.501 1.00 0.00 O ATOM 5 N ALA A 7 -27.455 -12.061 29.675 1.00 0.00 N ATOM 6 CA ALA A 7 -27.568 -13.192 28.759 1.00 0.00 C ATOM 7 C ALA A 7 -28.219 -12.758 27.456 1.00 0.00 C ATOM 8 O ALA A 7 -27.844 -13.218 26.380 1.00 0.00 O ATOM 9 CB ALA A 7 -28.415 -14.293 29.378 1.00 0.00 C ATOM 0 H ALA A 7 -28.082 -12.111 30.478 1.00 0.00 H new ATOM 0 HA ALA A 7 -26.563 -13.564 28.563 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -28.490 -15.129 28.683 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -27.951 -14.632 30.304 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -29.412 -13.908 29.591 1.00 0.00 H new ATOM 15 N LYS A 8 -29.201 -11.867 27.573 1.00 0.00 N ATOM 16 CA LYS A 8 -29.926 -11.350 26.416 1.00 0.00 C ATOM 17 C LYS A 8 -28.956 -10.838 25.364 1.00 0.00 C ATOM 18 O LYS A 8 -29.112 -11.112 24.176 1.00 0.00 O ATOM 19 CB LYS A 8 -30.843 -10.197 26.830 1.00 0.00 C ATOM 20 CG LYS A 8 -31.687 -9.638 25.696 1.00 0.00 C ATOM 21 CD LYS A 8 -32.612 -8.537 26.188 1.00 0.00 C ATOM 22 CE LYS A 8 -33.446 -7.968 25.051 1.00 0.00 C ATOM 23 NZ LYS A 8 -34.367 -6.896 25.520 1.00 0.00 N ATOM 0 H LYS A 8 -29.514 -11.486 28.466 1.00 0.00 H new ATOM 0 HA LYS A 8 -30.520 -12.166 26.005 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -31.504 -10.540 27.626 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -30.234 -9.394 27.246 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -31.036 -9.247 24.914 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -32.276 -10.439 25.249 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -33.270 -8.931 26.963 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -32.023 -7.741 26.644 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -32.786 -7.568 24.281 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -34.025 -8.768 24.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -34.917 -6.535 24.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -35.014 -7.283 26.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -33.813 -6.121 25.937 1.00 0.00 H new ATOM 37 N ALA A 9 -27.955 -10.093 25.820 1.00 0.00 N ATOM 38 CA ALA A 9 -26.940 -9.526 24.937 1.00 0.00 C ATOM 39 C ALA A 9 -26.003 -10.614 24.436 1.00 0.00 C ATOM 40 O ALA A 9 -25.521 -10.559 23.307 1.00 0.00 O ATOM 41 CB ALA A 9 -26.116 -8.483 25.677 1.00 0.00 C ATOM 0 H ALA A 9 -27.824 -9.866 26.806 1.00 0.00 H new ATOM 0 HA ALA A 9 -27.452 -9.063 24.094 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -25.364 -8.070 25.005 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -26.770 -7.683 26.026 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -25.623 -8.947 26.531 1.00 0.00 H new ATOM 47 N ALA A 10 -25.757 -11.601 25.292 1.00 0.00 N ATOM 48 CA ALA A 10 -24.880 -12.719 24.962 1.00 0.00 C ATOM 49 C ALA A 10 -25.507 -13.588 23.884 1.00 0.00 C ATOM 50 O ALA A 10 -24.853 -13.956 22.911 1.00 0.00 O ATOM 51 CB ALA A 10 -24.633 -13.580 26.191 1.00 0.00 C ATOM 0 H ALA A 10 -26.158 -11.649 26.229 1.00 0.00 H new ATOM 0 HA ALA A 10 -23.937 -12.308 24.602 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -23.977 -14.410 25.928 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -24.163 -12.978 26.969 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -25.582 -13.970 26.559 1.00 0.00 H new ATOM 57 N PHE A 11 -26.784 -13.907 24.073 1.00 0.00 N ATOM 58 CA PHE A 11 -27.530 -14.734 23.129 1.00 0.00 C ATOM 59 C PHE A 11 -27.857 -13.943 21.873 1.00 0.00 C ATOM 60 O PHE A 11 -27.738 -14.451 20.759 1.00 0.00 O ATOM 61 CB PHE A 11 -28.842 -15.212 23.755 1.00 0.00 C ATOM 62 CG PHE A 11 -29.651 -16.105 22.859 1.00 0.00 C ATOM 63 CD1 PHE A 11 -29.310 -17.436 22.693 1.00 0.00 C ATOM 64 CD2 PHE A 11 -30.754 -15.614 22.183 1.00 0.00 C ATOM 65 CE1 PHE A 11 -30.055 -18.257 21.868 1.00 0.00 C ATOM 66 CE2 PHE A 11 -31.499 -16.435 21.358 1.00 0.00 C ATOM 67 CZ PHE A 11 -31.154 -17.752 21.199 1.00 0.00 C ATOM 0 H PHE A 11 -27.329 -13.602 24.880 1.00 0.00 H new ATOM 0 HA PHE A 11 -26.908 -15.592 22.875 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -28.620 -15.745 24.679 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -29.443 -14.343 24.025 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -28.453 -17.837 23.214 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -31.036 -14.578 22.301 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -29.778 -19.294 21.746 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -32.357 -16.037 20.836 1.00 0.00 H new ATOM 0 HZ PHE A 11 -31.738 -18.392 20.554 1.00 0.00 H new ATOM 77 N ASP A 12 -28.270 -12.696 22.071 1.00 0.00 N ATOM 78 CA ASP A 12 -28.623 -11.805 20.968 1.00 0.00 C ATOM 79 C ASP A 12 -27.375 -11.355 20.226 1.00 0.00 C ATOM 80 O ASP A 12 -27.377 -11.238 19.003 1.00 0.00 O ATOM 81 CB ASP A 12 -29.347 -10.564 21.493 1.00 0.00 C ATOM 82 CG ASP A 12 -29.923 -9.711 20.379 1.00 0.00 C ATOM 83 OD1 ASP A 12 -30.712 -10.243 19.571 1.00 0.00 O ATOM 84 OD2 ASP A 12 -29.585 -8.510 20.316 1.00 0.00 O ATOM 0 H ASP A 12 -28.370 -12.275 22.995 1.00 0.00 H new ATOM 0 HA ASP A 12 -29.276 -12.357 20.292 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -30.150 -10.872 22.162 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -28.653 -9.965 22.083 1.00 0.00 H new ATOM 90 N SER A 13 -26.312 -11.107 20.986 1.00 0.00 N ATOM 91 CA SER A 13 -25.038 -10.666 20.427 1.00 0.00 C ATOM 92 C SER A 13 -24.438 -11.753 19.549 1.00 0.00 C ATOM 93 O SER A 13 -23.964 -11.484 18.447 1.00 0.00 O ATOM 94 CB SER A 13 -24.045 -10.344 21.545 1.00 0.00 C ATOM 95 OG SER A 13 -22.803 -9.914 21.016 1.00 0.00 O ATOM 0 H SER A 13 -26.309 -11.205 22.001 1.00 0.00 H new ATOM 0 HA SER A 13 -25.227 -9.772 19.832 1.00 0.00 H new ATOM 0 HB2 SER A 13 -24.458 -9.568 22.190 1.00 0.00 H new ATOM 0 HB3 SER A 13 -23.893 -11.227 22.166 1.00 0.00 H new ATOM 0 HG SER A 13 -22.186 -9.713 21.751 1.00 0.00 H new ATOM 101 N LEU A 14 -24.470 -12.984 20.054 1.00 0.00 N ATOM 102 CA LEU A 14 -23.936 -14.136 19.335 1.00 0.00 C ATOM 103 C LEU A 14 -24.737 -14.394 18.070 1.00 0.00 C ATOM 104 O LEU A 14 -24.175 -14.582 16.994 1.00 0.00 O ATOM 105 CB LEU A 14 -23.998 -15.390 20.210 1.00 0.00 C ATOM 106 CG LEU A 14 -23.445 -16.676 19.592 1.00 0.00 C ATOM 107 CD1 LEU A 14 -21.958 -16.538 19.306 1.00 0.00 C ATOM 108 CD2 LEU A 14 -23.641 -17.853 20.535 1.00 0.00 C ATOM 0 H LEU A 14 -24.864 -13.209 20.967 1.00 0.00 H new ATOM 0 HA LEU A 14 -22.900 -13.914 19.078 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -23.452 -15.191 21.132 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -25.038 -15.563 20.487 1.00 0.00 H new ATOM 0 HG LEU A 14 -23.987 -16.851 18.663 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -21.585 -17.463 18.867 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -21.796 -15.715 18.610 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -21.426 -16.337 20.236 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -23.241 -18.757 20.076 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -23.118 -17.660 21.472 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -24.704 -17.987 20.734 1.00 0.00 H new ATOM 120 N GLN A 15 -26.060 -14.398 18.219 1.00 0.00 N ATOM 121 CA GLN A 15 -26.970 -14.632 17.101 1.00 0.00 C ATOM 122 C GLN A 15 -26.686 -13.655 15.971 1.00 0.00 C ATOM 123 O GLN A 15 -26.699 -14.025 14.799 1.00 0.00 O ATOM 124 CB GLN A 15 -28.423 -14.449 17.545 1.00 0.00 C ATOM 125 CG GLN A 15 -29.446 -14.756 16.464 1.00 0.00 C ATOM 126 CD GLN A 15 -30.873 -14.627 16.958 1.00 0.00 C ATOM 127 OE1 GLN A 15 -31.110 -14.291 18.119 1.00 0.00 O ATOM 128 NE2 GLN A 15 -31.830 -14.895 16.077 1.00 0.00 N ATOM 0 H GLN A 15 -26.528 -14.240 19.111 1.00 0.00 H new ATOM 0 HA GLN A 15 -26.815 -15.654 16.755 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -28.613 -15.093 18.403 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -28.562 -13.421 17.881 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -29.294 -14.080 15.623 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -29.284 -15.768 16.093 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -31.585 -15.170 15.126 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -32.810 -14.826 16.352 1.00 0.00 H new ATOM 137 N ALA A 16 -26.430 -12.404 16.345 1.00 0.00 N ATOM 138 CA ALA A 16 -26.138 -11.346 15.380 1.00 0.00 C ATOM 139 C ALA A 16 -24.752 -11.535 14.787 1.00 0.00 C ATOM 140 O ALA A 16 -24.573 -11.484 13.572 1.00 0.00 O ATOM 141 CB ALA A 16 -26.192 -9.984 16.054 1.00 0.00 C ATOM 0 H ALA A 16 -26.419 -12.096 17.317 1.00 0.00 H new ATOM 0 HA ALA A 16 -26.887 -11.398 14.590 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -25.972 -9.207 15.322 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -27.187 -9.822 16.468 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -25.455 -9.946 16.856 1.00 0.00 H new ATOM 147 N SER A 17 -23.777 -11.752 15.664 1.00 0.00 N ATOM 148 CA SER A 17 -22.389 -11.952 15.255 1.00 0.00 C ATOM 149 C SER A 17 -22.285 -13.111 14.278 1.00 0.00 C ATOM 150 O SER A 17 -21.748 -12.965 13.182 1.00 0.00 O ATOM 151 CB SER A 17 -21.512 -12.263 16.470 1.00 0.00 C ATOM 152 OG SER A 17 -21.440 -11.150 17.345 1.00 0.00 O ATOM 0 H SER A 17 -23.924 -11.794 16.672 1.00 0.00 H new ATOM 0 HA SER A 17 -22.047 -11.034 14.778 1.00 0.00 H new ATOM 0 HB2 SER A 17 -21.916 -13.123 17.003 1.00 0.00 H new ATOM 0 HB3 SER A 17 -20.510 -12.535 16.139 1.00 0.00 H new ATOM 0 HG SER A 17 -22.280 -11.071 17.843 1.00 0.00 H new ATOM 158 N ALA A 18 -22.808 -14.262 14.691 1.00 0.00 N ATOM 159 CA ALA A 18 -22.789 -15.468 13.870 1.00 0.00 C ATOM 160 C ALA A 18 -23.727 -15.320 12.684 1.00 0.00 C ATOM 161 O ALA A 18 -23.498 -15.894 11.622 1.00 0.00 O ATOM 162 CB ALA A 18 -23.232 -16.672 14.687 1.00 0.00 C ATOM 0 H ALA A 18 -23.255 -14.385 15.600 1.00 0.00 H new ATOM 0 HA ALA A 18 -21.768 -15.615 13.516 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -23.213 -17.564 14.061 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -22.556 -16.807 15.532 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -24.245 -16.509 15.055 1.00 0.00 H new ATOM 168 N THR A 19 -24.788 -14.541 12.883 1.00 0.00 N ATOM 169 CA THR A 19 -25.783 -14.297 11.844 1.00 0.00 C ATOM 170 C THR A 19 -25.232 -13.347 10.792 1.00 0.00 C ATOM 171 O THR A 19 -25.270 -13.638 9.598 1.00 0.00 O ATOM 172 CB THR A 19 -27.063 -13.669 12.425 1.00 0.00 C ATOM 173 OG1 THR A 19 -27.654 -14.569 13.371 1.00 0.00 O ATOM 174 CG2 THR A 19 -28.069 -13.388 11.319 1.00 0.00 C ATOM 0 H THR A 19 -24.981 -14.064 13.764 1.00 0.00 H new ATOM 0 HA THR A 19 -26.021 -15.264 11.400 1.00 0.00 H new ATOM 0 HB THR A 19 -26.796 -12.732 12.914 1.00 0.00 H new ATOM 0 HG1 THR A 19 -27.251 -14.428 14.253 1.00 0.00 H new ATOM 0 HG21 THR A 19 -28.967 -12.944 11.748 1.00 0.00 H new ATOM 0 HG22 THR A 19 -27.633 -12.698 10.597 1.00 0.00 H new ATOM 0 HG23 THR A 19 -28.329 -14.320 10.818 1.00 0.00 H new ATOM 182 N GLU A 20 -24.722 -12.210 11.256 1.00 0.00 N ATOM 183 CA GLU A 20 -24.153 -11.193 10.375 1.00 0.00 C ATOM 184 C GLU A 20 -22.953 -11.747 9.627 1.00 0.00 C ATOM 185 O GLU A 20 -22.787 -11.507 8.434 1.00 0.00 O ATOM 186 CB GLU A 20 -23.698 -9.977 11.184 1.00 0.00 C ATOM 187 CG GLU A 20 -24.838 -9.170 11.785 1.00 0.00 C ATOM 188 CD GLU A 20 -24.348 -8.005 12.622 1.00 0.00 C ATOM 189 OE1 GLU A 20 -23.117 -7.859 12.775 1.00 0.00 O ATOM 190 OE2 GLU A 20 -25.196 -7.238 13.126 1.00 0.00 O ATOM 0 H GLU A 20 -24.691 -11.968 12.246 1.00 0.00 H new ATOM 0 HA GLU A 20 -24.927 -10.898 9.666 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -23.042 -10.313 11.987 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -23.106 -9.326 10.540 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -25.475 -8.795 10.984 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -25.454 -9.823 12.403 1.00 0.00 H new ATOM 198 N MET A 21 -22.120 -12.493 10.349 1.00 0.00 N ATOM 199 CA MET A 21 -20.921 -13.098 9.777 1.00 0.00 C ATOM 200 C MET A 21 -21.293 -14.125 8.721 1.00 0.00 C ATOM 201 O MET A 21 -20.625 -14.248 7.697 1.00 0.00 O ATOM 202 CB MET A 21 -20.103 -13.798 10.864 1.00 0.00 C ATOM 203 CG MET A 21 -18.791 -14.386 10.372 1.00 0.00 C ATOM 204 SD MET A 21 -17.634 -13.126 9.803 1.00 0.00 S ATOM 205 CE MET A 21 -17.154 -12.380 11.359 1.00 0.00 C ATOM 0 H MET A 21 -22.256 -12.694 11.340 1.00 0.00 H new ATOM 0 HA MET A 21 -20.331 -12.300 9.325 1.00 0.00 H new ATOM 0 HB2 MET A 21 -19.893 -13.085 11.661 1.00 0.00 H new ATOM 0 HB3 MET A 21 -20.705 -14.595 11.300 1.00 0.00 H new ATOM 0 HG2 MET A 21 -18.330 -14.960 11.176 1.00 0.00 H new ATOM 0 HG3 MET A 21 -18.992 -15.083 9.558 1.00 0.00 H new ATOM 0 HE1 MET A 21 -16.259 -11.775 11.212 1.00 0.00 H new ATOM 0 HE2 MET A 21 -17.963 -11.748 11.724 1.00 0.00 H new ATOM 0 HE3 MET A 21 -16.947 -13.162 12.089 1.00 0.00 H new ATOM 215 N ILE A 22 -22.370 -14.859 8.988 1.00 0.00 N ATOM 216 CA ILE A 22 -22.859 -15.888 8.075 1.00 0.00 C ATOM 217 C ILE A 22 -23.159 -15.290 6.711 1.00 0.00 C ATOM 218 O ILE A 22 -23.005 -15.949 5.685 1.00 0.00 O ATOM 219 CB ILE A 22 -24.151 -16.541 8.600 1.00 0.00 C ATOM 220 CG1 ILE A 22 -24.443 -17.835 7.838 1.00 0.00 C ATOM 221 CG2 ILE A 22 -25.333 -15.600 8.424 1.00 0.00 C ATOM 222 CD1 ILE A 22 -25.512 -18.693 8.478 1.00 0.00 C ATOM 0 H ILE A 22 -22.925 -14.758 9.838 1.00 0.00 H new ATOM 0 HA ILE A 22 -22.075 -16.642 7.998 1.00 0.00 H new ATOM 0 HB ILE A 22 -24.008 -16.759 9.658 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -24.750 -17.586 6.822 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -23.523 -18.415 7.760 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -26.238 -16.078 8.800 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -25.151 -14.680 8.979 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -25.459 -15.367 7.367 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -25.663 -19.592 7.881 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -25.199 -18.974 9.484 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -26.445 -18.132 8.532 1.00 0.00 H new ATOM 234 N GLY A 23 -23.590 -14.031 6.717 1.00 0.00 N ATOM 235 CA GLY A 23 -23.922 -13.314 5.490 1.00 0.00 C ATOM 236 C GLY A 23 -22.661 -12.979 4.711 1.00 0.00 C ATOM 237 O GLY A 23 -22.668 -12.944 3.483 1.00 0.00 O ATOM 0 H GLY A 23 -23.718 -13.482 7.567 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -24.586 -13.922 4.875 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -24.461 -12.398 5.732 1.00 0.00 H new ATOM 241 N TYR A 24 -21.581 -12.733 5.446 1.00 0.00 N ATOM 242 CA TYR A 24 -20.291 -12.396 4.850 1.00 0.00 C ATOM 243 C TYR A 24 -19.749 -13.571 4.054 1.00 0.00 C ATOM 244 O TYR A 24 -19.292 -13.410 2.924 1.00 0.00 O ATOM 245 CB TYR A 24 -19.275 -12.039 5.937 1.00 0.00 C ATOM 246 CG TYR A 24 -19.495 -10.678 6.558 1.00 0.00 C ATOM 247 CD1 TYR A 24 -19.027 -9.528 5.935 1.00 0.00 C ATOM 248 CD2 TYR A 24 -20.170 -10.548 7.765 1.00 0.00 C ATOM 249 CE1 TYR A 24 -19.224 -8.280 6.495 1.00 0.00 C ATOM 250 CE2 TYR A 24 -20.376 -9.308 8.340 1.00 0.00 C ATOM 251 CZ TYR A 24 -19.905 -8.178 7.708 1.00 0.00 C ATOM 252 OH TYR A 24 -20.108 -6.942 8.278 1.00 0.00 O ATOM 0 H TYR A 24 -21.574 -12.761 6.466 1.00 0.00 H new ATOM 0 HA TYR A 24 -20.443 -11.541 4.191 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -19.315 -12.796 6.720 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -18.273 -12.075 5.510 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -18.500 -9.611 4.996 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -20.541 -11.432 8.263 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -18.855 -7.394 5.999 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -20.903 -9.225 9.279 1.00 0.00 H new ATOM 0 HH TYR A 24 -20.599 -7.047 9.120 1.00 0.00 H new ATOM 262 N ALA A 25 -19.808 -14.753 4.660 1.00 0.00 N ATOM 263 CA ALA A 25 -19.329 -15.980 4.029 1.00 0.00 C ATOM 264 C ALA A 25 -20.084 -16.244 2.737 1.00 0.00 C ATOM 265 O ALA A 25 -19.484 -16.511 1.699 1.00 0.00 O ATOM 266 CB ALA A 25 -19.532 -17.168 4.957 1.00 0.00 C ATOM 0 H ALA A 25 -20.187 -14.888 5.597 1.00 0.00 H new ATOM 0 HA ALA A 25 -18.267 -15.853 3.816 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -19.170 -18.075 4.472 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -18.979 -17.006 5.882 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -20.593 -17.276 5.183 1.00 0.00 H new ATOM 272 N TRP A 26 -21.410 -16.164 2.820 1.00 0.00 N ATOM 273 CA TRP A 26 -22.277 -16.391 1.668 1.00 0.00 C ATOM 274 C TRP A 26 -22.008 -15.357 0.587 1.00 0.00 C ATOM 275 O TRP A 26 -21.938 -15.684 -0.596 1.00 0.00 O ATOM 276 CB TRP A 26 -23.748 -16.292 2.077 1.00 0.00 C ATOM 277 CG TRP A 26 -24.702 -16.523 0.945 1.00 0.00 C ATOM 278 CD1 TRP A 26 -25.425 -15.578 0.277 1.00 0.00 C ATOM 279 CD2 TRP A 26 -25.036 -17.782 0.348 1.00 0.00 C ATOM 280 NE1 TRP A 26 -26.190 -16.170 -0.700 1.00 0.00 N ATOM 281 CE2 TRP A 26 -25.969 -17.524 -0.676 1.00 0.00 C ATOM 282 CE3 TRP A 26 -24.639 -19.103 0.580 1.00 0.00 C ATOM 283 CZ2 TRP A 26 -26.510 -18.536 -1.467 1.00 0.00 C ATOM 284 CZ3 TRP A 26 -25.178 -20.103 -0.207 1.00 0.00 C ATOM 285 CH2 TRP A 26 -26.102 -19.818 -1.218 1.00 0.00 C ATOM 0 H TRP A 26 -21.910 -15.942 3.681 1.00 0.00 H new ATOM 0 HA TRP A 26 -22.066 -17.389 1.285 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -23.948 -17.020 2.864 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -23.933 -15.305 2.501 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -25.400 -14.519 0.486 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -26.819 -15.683 -1.338 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -23.927 -19.336 1.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -27.224 -18.317 -2.247 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -24.879 -21.127 -0.038 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -26.501 -20.626 -1.814 1.00 0.00 H new ATOM 296 N ALA A 27 -21.858 -14.106 1.012 1.00 0.00 N ATOM 297 CA ALA A 27 -21.594 -12.998 0.099 1.00 0.00 C ATOM 298 C ALA A 27 -20.220 -13.149 -0.537 1.00 0.00 C ATOM 299 O ALA A 27 -20.065 -12.991 -1.745 1.00 0.00 O ATOM 300 CB ALA A 27 -21.637 -11.674 0.846 1.00 0.00 C ATOM 0 H ALA A 27 -21.916 -13.832 1.993 1.00 0.00 H new ATOM 0 HA ALA A 27 -22.362 -13.012 -0.674 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -21.438 -10.858 0.151 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -22.623 -11.539 1.292 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -20.881 -11.675 1.631 1.00 0.00 H new ATOM 306 N MET A 28 -19.231 -13.454 0.297 1.00 0.00 N ATOM 307 CA MET A 28 -17.855 -13.634 -0.157 1.00 0.00 C ATOM 308 C MET A 28 -17.731 -14.895 -0.997 1.00 0.00 C ATOM 309 O MET A 28 -17.179 -14.870 -2.094 1.00 0.00 O ATOM 310 CB MET A 28 -16.908 -13.755 1.038 1.00 0.00 C ATOM 311 CG MET A 28 -15.442 -13.885 0.658 1.00 0.00 C ATOM 312 SD MET A 28 -14.357 -13.994 2.095 1.00 0.00 S ATOM 313 CE MET A 28 -14.767 -15.626 2.706 1.00 0.00 C ATOM 0 H MET A 28 -19.359 -13.583 1.301 1.00 0.00 H new ATOM 0 HA MET A 28 -17.587 -12.763 -0.755 1.00 0.00 H new ATOM 0 HB2 MET A 28 -17.031 -12.879 1.675 1.00 0.00 H new ATOM 0 HB3 MET A 28 -17.197 -14.623 1.630 1.00 0.00 H new ATOM 0 HG2 MET A 28 -15.309 -14.772 0.039 1.00 0.00 H new ATOM 0 HG3 MET A 28 -15.151 -13.027 0.052 1.00 0.00 H new ATOM 0 HE1 MET A 28 -14.017 -15.942 3.431 1.00 0.00 H new ATOM 0 HE2 MET A 28 -15.746 -15.600 3.184 1.00 0.00 H new ATOM 0 HE3 MET A 28 -14.788 -16.331 1.875 1.00 0.00 H new ATOM 323 N VAL A 29 -18.255 -15.995 -0.462 1.00 0.00 N ATOM 324 CA VAL A 29 -18.219 -17.286 -1.142 1.00 0.00 C ATOM 325 C VAL A 29 -19.017 -17.230 -2.434 1.00 0.00 C ATOM 326 O VAL A 29 -18.541 -17.645 -3.488 1.00 0.00 O ATOM 327 CB VAL A 29 -18.816 -18.403 -0.265 1.00 0.00 C ATOM 328 CG1 VAL A 29 -18.958 -19.689 -1.065 1.00 0.00 C ATOM 329 CG2 VAL A 29 -17.919 -18.677 0.932 1.00 0.00 C ATOM 0 H VAL A 29 -18.713 -16.017 0.449 1.00 0.00 H new ATOM 0 HA VAL A 29 -17.171 -17.505 -1.349 1.00 0.00 H new ATOM 0 HB VAL A 29 -19.796 -18.070 0.077 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -19.381 -20.468 -0.430 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -19.617 -19.517 -1.916 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -17.978 -20.005 -1.423 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -18.356 -19.469 1.541 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -16.934 -18.988 0.585 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -17.823 -17.771 1.530 1.00 0.00 H new ATOM 339 N VAL A 30 -20.237 -16.711 -2.334 1.00 0.00 N ATOM 340 CA VAL A 30 -21.129 -16.588 -3.482 1.00 0.00 C ATOM 341 C VAL A 30 -20.470 -15.774 -4.584 1.00 0.00 C ATOM 342 O VAL A 30 -20.561 -16.114 -5.761 1.00 0.00 O ATOM 343 CB VAL A 30 -22.447 -15.888 -3.100 1.00 0.00 C ATOM 344 CG1 VAL A 30 -23.268 -15.584 -4.344 1.00 0.00 C ATOM 345 CG2 VAL A 30 -23.275 -16.775 -2.183 1.00 0.00 C ATOM 0 H VAL A 30 -20.633 -16.366 -1.460 1.00 0.00 H new ATOM 0 HA VAL A 30 -21.340 -17.600 -3.828 1.00 0.00 H new ATOM 0 HB VAL A 30 -22.194 -14.960 -2.587 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -24.196 -15.090 -4.056 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -22.699 -14.930 -5.005 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -23.499 -16.514 -4.864 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -24.202 -16.265 -1.923 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -23.506 -17.710 -2.693 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -22.711 -16.987 -1.275 1.00 0.00 H new ATOM 355 N VAL A 31 -19.805 -14.694 -4.180 1.00 0.00 N ATOM 356 CA VAL A 31 -19.117 -13.807 -5.114 1.00 0.00 C ATOM 357 C VAL A 31 -17.847 -14.461 -5.633 1.00 0.00 C ATOM 358 O VAL A 31 -17.585 -14.467 -6.833 1.00 0.00 O ATOM 359 CB VAL A 31 -18.724 -12.477 -4.444 1.00 0.00 C ATOM 360 CG1 VAL A 31 -17.852 -11.649 -5.375 1.00 0.00 C ATOM 361 CG2 VAL A 31 -19.965 -11.667 -4.101 1.00 0.00 C ATOM 0 H VAL A 31 -19.728 -14.411 -3.203 1.00 0.00 H new ATOM 0 HA VAL A 31 -19.809 -13.612 -5.933 1.00 0.00 H new ATOM 0 HB VAL A 31 -18.173 -12.713 -3.534 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -17.584 -10.713 -4.885 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -16.946 -12.205 -5.616 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -18.400 -11.435 -6.292 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -19.669 -10.730 -3.628 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -20.523 -11.453 -5.012 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -20.593 -12.236 -3.416 1.00 0.00 H new ATOM 371 N ILE A 32 -17.065 -15.011 -4.708 1.00 0.00 N ATOM 372 CA ILE A 32 -15.811 -15.678 -5.043 1.00 0.00 C ATOM 373 C ILE A 32 -16.069 -16.875 -5.945 1.00 0.00 C ATOM 374 O ILE A 32 -15.453 -17.015 -6.999 1.00 0.00 O ATOM 375 CB ILE A 32 -15.086 -16.183 -3.782 1.00 0.00 C ATOM 376 CG1 ILE A 32 -14.604 -15.003 -2.935 1.00 0.00 C ATOM 377 CG2 ILE A 32 -13.880 -17.027 -4.163 1.00 0.00 C ATOM 378 CD1 ILE A 32 -14.102 -15.400 -1.564 1.00 0.00 C ATOM 0 H ILE A 32 -17.281 -15.007 -3.711 1.00 0.00 H new ATOM 0 HA ILE A 32 -15.187 -14.943 -5.552 1.00 0.00 H new ATOM 0 HB ILE A 32 -15.792 -16.786 -3.210 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -13.806 -14.487 -3.469 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -15.422 -14.292 -2.820 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -13.380 -17.375 -3.259 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -14.207 -17.885 -4.750 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -13.187 -16.427 -4.753 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -13.778 -14.511 -1.024 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -14.904 -15.889 -1.011 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -13.262 -16.087 -1.669 1.00 0.00 H new ATOM 390 N VAL A 33 -16.990 -17.733 -5.513 1.00 0.00 N ATOM 391 CA VAL A 33 -17.353 -18.931 -6.263 1.00 0.00 C ATOM 392 C VAL A 33 -18.211 -18.567 -7.465 1.00 0.00 C ATOM 393 O VAL A 33 -17.960 -19.020 -8.579 1.00 0.00 O ATOM 394 CB VAL A 33 -18.151 -19.921 -5.394 1.00 0.00 C ATOM 395 CG1 VAL A 33 -18.675 -21.071 -6.241 1.00 0.00 C ATOM 396 CG2 VAL A 33 -17.270 -20.495 -4.295 1.00 0.00 C ATOM 0 H VAL A 33 -17.502 -17.618 -4.639 1.00 0.00 H new ATOM 0 HA VAL A 33 -16.422 -19.397 -6.585 1.00 0.00 H new ATOM 0 HB VAL A 33 -18.986 -19.377 -4.952 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -19.236 -21.761 -5.611 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -19.327 -20.680 -7.022 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -17.837 -21.597 -6.698 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -17.850 -21.192 -3.691 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -16.425 -21.018 -4.742 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -16.903 -19.686 -3.663 1.00 0.00 H new ATOM 406 N GLY A 34 -19.224 -17.744 -7.218 1.00 0.00 N ATOM 407 CA GLY A 34 -20.141 -17.299 -8.265 1.00 0.00 C ATOM 408 C GLY A 34 -19.472 -16.263 -9.153 1.00 0.00 C ATOM 409 O GLY A 34 -19.449 -16.400 -10.374 1.00 0.00 O ATOM 0 H GLY A 34 -19.433 -17.368 -6.293 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -20.458 -18.152 -8.866 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -21.039 -16.875 -7.815 1.00 0.00 H new ATOM 413 N ALA A 35 -18.929 -15.228 -8.520 1.00 0.00 N ATOM 414 CA ALA A 35 -18.249 -14.148 -9.230 1.00 0.00 C ATOM 415 C ALA A 35 -16.924 -14.634 -9.797 1.00 0.00 C ATOM 416 O ALA A 35 -16.668 -14.516 -10.993 1.00 0.00 O ATOM 417 CB ALA A 35 -17.973 -12.986 -8.288 1.00 0.00 C ATOM 0 H ALA A 35 -18.947 -15.113 -7.507 1.00 0.00 H new ATOM 0 HA ALA A 35 -18.899 -13.821 -10.041 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -17.466 -12.189 -8.832 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -18.915 -12.610 -7.888 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -17.340 -13.325 -7.468 1.00 0.00 H new ATOM 423 N THR A 36 -16.089 -15.182 -8.918 1.00 0.00 N ATOM 424 CA THR A 36 -14.778 -15.697 -9.303 1.00 0.00 C ATOM 425 C THR A 36 -14.928 -16.863 -10.266 1.00 0.00 C ATOM 426 O THR A 36 -14.367 -16.852 -11.360 1.00 0.00 O ATOM 427 CB THR A 36 -13.984 -16.191 -8.079 1.00 0.00 C ATOM 428 OG1 THR A 36 -13.758 -15.099 -7.180 1.00 0.00 O ATOM 429 CG2 THR A 36 -12.641 -16.761 -8.510 1.00 0.00 C ATOM 0 H THR A 36 -16.300 -15.281 -7.925 1.00 0.00 H new ATOM 0 HA THR A 36 -14.241 -14.876 -9.777 1.00 0.00 H new ATOM 0 HB THR A 36 -14.562 -16.971 -7.583 1.00 0.00 H new ATOM 0 HG1 THR A 36 -12.919 -15.243 -6.695 1.00 0.00 H new ATOM 0 HG21 THR A 36 -12.093 -17.105 -7.633 1.00 0.00 H new ATOM 0 HG22 THR A 36 -12.802 -17.598 -9.189 1.00 0.00 H new ATOM 0 HG23 THR A 36 -12.064 -15.988 -9.018 1.00 0.00 H new ATOM 437 N ILE A 37 -15.691 -17.866 -9.842 1.00 0.00 N ATOM 438 CA ILE A 37 -15.934 -19.058 -10.649 1.00 0.00 C ATOM 439 C ILE A 37 -16.890 -18.743 -11.788 1.00 0.00 C ATOM 440 O ILE A 37 -16.745 -19.259 -12.895 1.00 0.00 O ATOM 441 CB ILE A 37 -16.554 -20.191 -9.810 1.00 0.00 C ATOM 442 CG1 ILE A 37 -15.550 -20.695 -8.771 1.00 0.00 C ATOM 443 CG2 ILE A 37 -16.951 -21.358 -10.701 1.00 0.00 C ATOM 444 CD1 ILE A 37 -16.151 -21.632 -7.746 1.00 0.00 C ATOM 0 H ILE A 37 -16.156 -17.876 -8.934 1.00 0.00 H new ATOM 0 HA ILE A 37 -14.968 -19.380 -11.038 1.00 0.00 H new ATOM 0 HB ILE A 37 -17.437 -19.792 -9.310 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -14.736 -21.207 -9.284 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -15.114 -19.839 -8.256 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -17.387 -22.149 -10.091 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -17.682 -21.022 -11.437 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -16.069 -21.740 -11.215 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -15.379 -21.947 -7.044 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -16.946 -21.118 -7.205 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -16.562 -22.507 -8.250 1.00 0.00 H new ATOM 456 N GLY A 38 -17.869 -17.890 -11.498 1.00 0.00 N ATOM 457 CA GLY A 38 -18.868 -17.486 -12.483 1.00 0.00 C ATOM 458 C GLY A 38 -18.229 -16.648 -13.578 1.00 0.00 C ATOM 459 O GLY A 38 -18.457 -16.879 -14.764 1.00 0.00 O ATOM 0 H GLY A 38 -17.992 -17.462 -10.580 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -19.335 -18.369 -12.919 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -19.658 -16.916 -11.995 1.00 0.00 H new ATOM 463 N ILE A 39 -17.426 -15.673 -13.161 1.00 0.00 N ATOM 464 CA ILE A 39 -16.737 -14.781 -14.087 1.00 0.00 C ATOM 465 C ILE A 39 -15.839 -15.573 -15.024 1.00 0.00 C ATOM 466 O ILE A 39 -15.790 -15.310 -16.223 1.00 0.00 O ATOM 467 CB ILE A 39 -15.857 -13.762 -13.340 1.00 0.00 C ATOM 468 CG1 ILE A 39 -16.729 -12.785 -12.547 1.00 0.00 C ATOM 469 CG2 ILE A 39 -15.012 -12.965 -14.322 1.00 0.00 C ATOM 470 CD1 ILE A 39 -17.675 -11.976 -13.407 1.00 0.00 C ATOM 0 H ILE A 39 -17.236 -15.480 -12.178 1.00 0.00 H new ATOM 0 HA ILE A 39 -17.508 -14.255 -14.650 1.00 0.00 H new ATOM 0 HB ILE A 39 -15.209 -14.316 -12.661 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -17.308 -13.344 -11.812 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -16.083 -12.104 -11.993 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -14.397 -12.250 -13.776 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -14.369 -13.643 -14.883 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -15.664 -12.430 -15.012 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -18.259 -11.307 -12.775 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -17.102 -11.389 -14.125 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -18.346 -12.648 -13.941 1.00 0.00 H new ATOM 482 N LYS A 40 -15.134 -16.547 -14.455 1.00 0.00 N ATOM 483 CA LYS A 40 -14.227 -17.399 -15.218 1.00 0.00 C ATOM 484 C LYS A 40 -14.967 -18.080 -16.357 1.00 0.00 C ATOM 485 O LYS A 40 -14.484 -18.124 -17.486 1.00 0.00 O ATOM 486 CB LYS A 40 -13.624 -18.480 -14.319 1.00 0.00 C ATOM 487 CG LYS A 40 -12.625 -19.385 -15.021 1.00 0.00 C ATOM 488 CD LYS A 40 -12.025 -20.397 -14.059 1.00 0.00 C ATOM 489 CE LYS A 40 -11.037 -21.312 -14.764 1.00 0.00 C ATOM 490 NZ LYS A 40 -10.432 -22.302 -13.831 1.00 0.00 N ATOM 0 H LYS A 40 -15.174 -16.767 -13.460 1.00 0.00 H new ATOM 0 HA LYS A 40 -13.435 -16.766 -15.618 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -13.132 -18.001 -13.473 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -14.430 -19.092 -13.914 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -13.118 -19.907 -15.841 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.830 -18.782 -15.460 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.523 -19.874 -13.245 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -12.821 -20.993 -13.612 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.544 -21.838 -15.573 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.248 -20.713 -15.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.764 -22.906 -14.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.927 -21.801 -13.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.182 -22.891 -13.416 1.00 0.00 H new ATOM 504 N LEU A 41 -16.145 -18.610 -16.042 1.00 0.00 N ATOM 505 CA LEU A 41 -16.979 -19.299 -17.022 1.00 0.00 C ATOM 506 C LEU A 41 -17.243 -18.401 -18.220 1.00 0.00 C ATOM 507 O LEU A 41 -17.349 -18.872 -19.350 1.00 0.00 O ATOM 508 CB LEU A 41 -18.323 -19.688 -16.403 1.00 0.00 C ATOM 509 CG LEU A 41 -18.288 -20.791 -15.344 1.00 0.00 C ATOM 510 CD1 LEU A 41 -19.663 -20.987 -14.725 1.00 0.00 C ATOM 511 CD2 LEU A 41 -17.851 -22.112 -15.958 1.00 0.00 C ATOM 0 H LEU A 41 -16.547 -18.575 -15.105 1.00 0.00 H new ATOM 0 HA LEU A 41 -16.446 -20.195 -17.341 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -18.764 -18.797 -15.955 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -18.990 -20.005 -17.205 1.00 0.00 H new ATOM 0 HG LEU A 41 -17.576 -20.484 -14.578 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -19.615 -21.776 -13.975 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -19.986 -20.058 -14.255 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -20.375 -21.267 -15.501 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -17.833 -22.883 -15.188 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -18.552 -22.399 -16.742 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -16.854 -22.003 -16.385 1.00 0.00 H new ATOM 523 N PHE A 42 -17.346 -17.102 -17.954 1.00 0.00 N ATOM 524 CA PHE A 42 -17.598 -16.110 -18.995 1.00 0.00 C ATOM 525 C PHE A 42 -16.467 -16.105 -20.009 1.00 0.00 C ATOM 526 O PHE A 42 -16.702 -16.066 -21.215 1.00 0.00 O ATOM 527 CB PHE A 42 -17.708 -14.711 -18.386 1.00 0.00 C ATOM 528 CG PHE A 42 -17.982 -13.631 -19.394 1.00 0.00 C ATOM 529 CD1 PHE A 42 -19.255 -13.449 -19.906 1.00 0.00 C ATOM 530 CD2 PHE A 42 -16.967 -12.798 -19.831 1.00 0.00 C ATOM 531 CE1 PHE A 42 -19.508 -12.456 -20.833 1.00 0.00 C ATOM 532 CE2 PHE A 42 -17.219 -11.805 -20.758 1.00 0.00 C ATOM 533 CZ PHE A 42 -18.483 -11.632 -21.259 1.00 0.00 C ATOM 0 H PHE A 42 -17.258 -16.709 -17.017 1.00 0.00 H new ATOM 0 HA PHE A 42 -18.534 -16.374 -19.486 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -18.504 -14.711 -17.641 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -16.781 -14.479 -17.862 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -20.059 -14.090 -19.577 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -15.967 -12.925 -19.443 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -20.506 -12.324 -21.224 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -16.417 -11.162 -21.089 1.00 0.00 H new ATOM 0 HZ PHE A 42 -18.677 -10.855 -21.984 1.00 0.00 H new ATOM 543 N LYS A 43 -15.238 -16.143 -19.502 1.00 0.00 N ATOM 544 CA LYS A 43 -14.046 -16.145 -20.344 1.00 0.00 C ATOM 545 C LYS A 43 -13.908 -17.472 -21.072 1.00 0.00 C ATOM 546 O LYS A 43 -13.600 -17.511 -22.260 1.00 0.00 O ATOM 547 CB LYS A 43 -12.791 -15.927 -19.496 1.00 0.00 C ATOM 548 CG LYS A 43 -12.662 -14.523 -18.928 1.00 0.00 C ATOM 549 CD LYS A 43 -11.389 -14.373 -18.111 1.00 0.00 C ATOM 550 CE LYS A 43 -11.260 -12.970 -17.542 1.00 0.00 C ATOM 551 NZ LYS A 43 -10.024 -12.812 -16.727 1.00 0.00 N ATOM 0 H LYS A 43 -15.041 -16.173 -18.502 1.00 0.00 H new ATOM 0 HA LYS A 43 -14.150 -15.336 -21.067 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -12.793 -16.642 -18.673 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.913 -16.144 -20.104 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.662 -13.798 -19.742 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.527 -14.300 -18.303 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.389 -15.099 -17.298 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.525 -14.595 -18.737 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -11.252 -12.247 -18.358 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -12.131 -12.746 -16.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.974 -11.841 -16.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.043 -13.484 -15.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.191 -13.000 -17.320 1.00 0.00 H new ATOM 565 N LYS A 44 -14.143 -18.557 -20.338 1.00 0.00 N ATOM 566 CA LYS A 44 -14.053 -19.905 -20.888 1.00 0.00 C ATOM 567 C LYS A 44 -15.250 -20.198 -21.779 1.00 0.00 C ATOM 568 O LYS A 44 -15.104 -20.731 -22.877 1.00 0.00 O ATOM 569 CB LYS A 44 -14.022 -20.942 -19.763 1.00 0.00 C ATOM 570 CG LYS A 44 -13.876 -22.376 -20.245 1.00 0.00 C ATOM 571 CD LYS A 44 -13.796 -23.345 -19.077 1.00 0.00 C ATOM 572 CE LYS A 44 -13.664 -24.781 -19.558 1.00 0.00 C ATOM 573 NZ LYS A 44 -13.573 -25.741 -18.424 1.00 0.00 N ATOM 0 H LYS A 44 -14.400 -18.526 -19.351 1.00 0.00 H new ATOM 0 HA LYS A 44 -13.134 -19.965 -21.472 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.195 -20.710 -19.092 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -14.939 -20.858 -19.180 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -14.723 -22.637 -20.879 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.979 -22.467 -20.858 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -12.943 -23.090 -18.448 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -14.688 -23.247 -18.459 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.522 -25.035 -20.181 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.777 -24.874 -20.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.484 -26.709 -18.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.740 -25.515 -17.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -14.431 -25.671 -17.840 1.00 0.00 H new ATOM 587 N PHE A 45 -16.432 -19.841 -21.287 1.00 0.00 N ATOM 588 CA PHE A 45 -17.677 -20.053 -22.019 1.00 0.00 C ATOM 589 C PHE A 45 -17.810 -19.044 -23.149 1.00 0.00 C ATOM 590 O PHE A 45 -18.209 -19.389 -24.259 1.00 0.00 O ATOM 591 CB PHE A 45 -18.880 -19.896 -21.087 1.00 0.00 C ATOM 592 CG PHE A 45 -20.202 -20.139 -21.757 1.00 0.00 C ATOM 593 CD1 PHE A 45 -20.638 -21.427 -22.012 1.00 0.00 C ATOM 594 CD2 PHE A 45 -21.010 -19.079 -22.132 1.00 0.00 C ATOM 595 CE1 PHE A 45 -21.855 -21.651 -22.629 1.00 0.00 C ATOM 596 CE2 PHE A 45 -22.226 -19.303 -22.749 1.00 0.00 C ATOM 597 CZ PHE A 45 -22.649 -20.582 -22.998 1.00 0.00 C ATOM 0 H PHE A 45 -16.554 -19.399 -20.376 1.00 0.00 H new ATOM 0 HA PHE A 45 -17.654 -21.064 -22.427 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -18.774 -20.589 -20.252 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -18.875 -18.889 -20.669 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -20.021 -22.266 -21.726 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -20.687 -18.067 -21.940 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -22.185 -22.661 -22.822 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.846 -18.466 -23.036 1.00 0.00 H new ATOM 0 HZ PHE A 45 -23.600 -20.754 -23.481 1.00 0.00 H new ATOM 607 N THR A 46 -17.468 -17.795 -22.848 1.00 0.00 N ATOM 608 CA THR A 46 -17.538 -16.710 -23.822 1.00 0.00 C ATOM 609 C THR A 46 -16.393 -16.813 -24.816 1.00 0.00 C ATOM 610 O THR A 46 -16.586 -16.651 -26.019 1.00 0.00 O ATOM 611 CB THR A 46 -17.450 -15.332 -23.139 1.00 0.00 C ATOM 612 OG1 THR A 46 -18.556 -15.168 -22.243 1.00 0.00 O ATOM 613 CG2 THR A 46 -17.488 -14.221 -24.177 1.00 0.00 C ATOM 0 H THR A 46 -17.136 -17.507 -21.927 1.00 0.00 H new ATOM 0 HA THR A 46 -18.497 -16.803 -24.332 1.00 0.00 H new ATOM 0 HB THR A 46 -16.511 -15.277 -22.589 1.00 0.00 H new ATOM 0 HG1 THR A 46 -18.228 -14.866 -21.370 1.00 0.00 H new ATOM 0 HG21 THR A 46 -17.425 -13.254 -23.678 1.00 0.00 H new ATOM 0 HG22 THR A 46 -16.646 -14.332 -24.860 1.00 0.00 H new ATOM 0 HG23 THR A 46 -18.421 -14.279 -24.738 1.00 0.00 H new ATOM 621 N SER A 47 -15.201 -17.085 -24.295 1.00 0.00 N ATOM 622 CA SER A 47 -14.001 -17.215 -25.116 1.00 0.00 C ATOM 623 C SER A 47 -14.009 -18.540 -25.862 1.00 0.00 C ATOM 624 O SER A 47 -13.670 -18.602 -27.041 1.00 0.00 O ATOM 625 CB SER A 47 -12.746 -17.158 -24.243 1.00 0.00 C ATOM 626 OG SER A 47 -11.573 -17.295 -25.026 1.00 0.00 O ATOM 0 H SER A 47 -15.039 -17.221 -23.297 1.00 0.00 H new ATOM 0 HA SER A 47 -13.993 -16.390 -25.828 1.00 0.00 H new ATOM 0 HB2 SER A 47 -12.718 -16.212 -23.703 1.00 0.00 H new ATOM 0 HB3 SER A 47 -12.783 -17.951 -23.496 1.00 0.00 H new ATOM 0 HG SER A 47 -10.785 -17.254 -24.445 1.00 0.00 H new ATOM 632 N LYS A 48 -14.401 -19.595 -25.154 1.00 0.00 N ATOM 633 CA LYS A 48 -14.464 -20.938 -25.724 1.00 0.00 C ATOM 634 C LYS A 48 -15.666 -21.070 -26.644 1.00 0.00 C ATOM 635 O LYS A 48 -15.582 -21.677 -27.710 1.00 0.00 O ATOM 636 CB LYS A 48 -14.586 -21.985 -24.615 1.00 0.00 C ATOM 637 CG LYS A 48 -14.598 -23.421 -25.116 1.00 0.00 C ATOM 638 CD LYS A 48 -14.665 -24.407 -23.962 1.00 0.00 C ATOM 639 CE LYS A 48 -14.691 -25.842 -24.463 1.00 0.00 C ATOM 640 NZ LYS A 48 -14.745 -26.821 -23.342 1.00 0.00 N ATOM 0 H LYS A 48 -14.682 -19.545 -24.175 1.00 0.00 H new ATOM 0 HA LYS A 48 -13.546 -21.103 -26.289 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -13.756 -21.861 -23.920 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -15.502 -21.799 -24.054 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -15.453 -23.571 -25.776 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.702 -23.610 -25.707 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -13.805 -24.263 -23.308 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -15.556 -24.212 -23.365 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -15.556 -25.984 -25.111 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.804 -26.031 -25.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.761 -27.788 -23.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.907 -26.703 -22.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -15.604 -26.657 -22.779 1.00 0.00 H new ATOM 654 N ALA A 49 -16.785 -20.492 -26.215 1.00 0.00 N ATOM 655 CA ALA A 49 -18.026 -20.529 -26.983 1.00 0.00 C ATOM 0 H ALA A 49 -16.857 -19.988 -25.331 1.00 0.00 H new TER 658 ALA A 49