USER MOD reduce.3.24.130724 H: found=0, std=0, add=343, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 345 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 Set 1.1: A 16 GLN :FLIP amide:sc= -0.632 F(o=-3.5,f=-0.8) USER MOD Set 1.2: A 19 MET CE :methyl -167:sc= -0.171 (180deg=-0.318) USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.202 (180deg=-0.676) USER MOD Single : A 5 THR OG1 : rot -7:sc= 0.307 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 66:sc= 1 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 73:sc= 0.297 USER MOD Single : A 42 MET CE :methyl 166:sc= -0.01 (180deg=-0.253) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.424 -48.973 33.572 1.00 0.00 N ATOM 2 CA GLY A 1 -12.623 -49.786 33.615 1.00 0.00 C ATOM 3 C GLY A 1 -13.560 -49.390 32.485 1.00 0.00 C ATOM 4 O GLY A 1 -13.257 -48.496 31.698 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.587 -49.585 33.652 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.389 -48.454 32.671 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.435 -48.296 34.361 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.361 -50.840 33.528 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.124 -49.660 34.575 1.00 0.00 H new ATOM 8 N VAL A 2 -14.702 -50.070 32.420 1.00 0.00 N ATOM 9 CA VAL A 2 -15.707 -49.810 31.394 1.00 0.00 C ATOM 10 C VAL A 2 -16.368 -48.460 31.625 1.00 0.00 C ATOM 11 O VAL A 2 -16.570 -47.683 30.693 1.00 0.00 O ATOM 12 CB VAL A 2 -16.811 -50.884 31.400 1.00 0.00 C ATOM 13 CG1 VAL A 2 -17.938 -50.495 30.456 1.00 0.00 C ATOM 14 CG2 VAL A 2 -16.250 -52.226 30.952 1.00 0.00 C ATOM 0 H VAL A 2 -14.955 -50.812 33.073 1.00 0.00 H new ATOM 0 HA VAL A 2 -15.190 -49.824 30.435 1.00 0.00 H new ATOM 0 HB VAL A 2 -17.192 -50.963 32.418 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -18.709 -51.265 30.473 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -18.367 -49.545 30.774 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -17.547 -50.396 29.444 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -17.043 -52.974 30.962 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -15.850 -52.134 29.942 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -15.454 -52.532 31.631 1.00 0.00 H new ATOM 24 N ILE A 3 -16.702 -48.192 32.884 1.00 0.00 N ATOM 25 CA ILE A 3 -17.344 -46.940 33.271 1.00 0.00 C ATOM 26 C ILE A 3 -16.396 -45.770 33.063 1.00 0.00 C ATOM 27 O ILE A 3 -16.799 -44.696 32.619 1.00 0.00 O ATOM 28 CB ILE A 3 -17.761 -46.954 34.753 1.00 0.00 C ATOM 29 CG1 ILE A 3 -18.872 -47.980 34.985 1.00 0.00 C ATOM 30 CG2 ILE A 3 -18.273 -45.586 35.176 1.00 0.00 C ATOM 31 CD1 ILE A 3 -19.171 -48.237 36.446 1.00 0.00 C ATOM 0 H ILE A 3 -16.536 -48.832 33.660 1.00 0.00 H new ATOM 0 HA ILE A 3 -18.230 -46.831 32.645 1.00 0.00 H new ATOM 0 HB ILE A 3 -16.883 -47.218 35.343 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -19.781 -47.635 34.493 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -18.590 -48.920 34.511 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -18.563 -45.615 36.226 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -17.487 -44.844 35.037 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -19.137 -45.317 34.568 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -19.969 -48.975 36.530 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -18.275 -48.613 36.940 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -19.485 -47.308 36.922 1.00 0.00 H new ATOM 43 N ASP A 4 -15.127 -45.993 33.391 1.00 0.00 N ATOM 44 CA ASP A 4 -14.094 -44.972 33.251 1.00 0.00 C ATOM 45 C ASP A 4 -14.107 -44.390 31.846 1.00 0.00 C ATOM 46 O ASP A 4 -13.954 -43.185 31.655 1.00 0.00 O ATOM 47 CB ASP A 4 -12.710 -45.570 33.514 1.00 0.00 C ATOM 48 CG ASP A 4 -12.487 -45.901 34.976 1.00 0.00 C ATOM 49 OD1 ASP A 4 -11.345 -46.256 35.337 1.00 0.00 O ATOM 50 OD2 ASP A 4 -13.454 -45.806 35.761 1.00 0.00 O ATOM 0 H ASP A 4 -14.787 -46.881 33.759 1.00 0.00 H new ATOM 0 HA ASP A 4 -14.302 -44.187 33.978 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -12.590 -46.475 32.918 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -11.946 -44.867 33.184 1.00 0.00 H new ATOM 56 N THR A 5 -14.293 -45.267 30.863 1.00 0.00 N ATOM 57 CA THR A 5 -14.331 -44.869 29.459 1.00 0.00 C ATOM 58 C THR A 5 -15.765 -44.645 29.008 1.00 0.00 C ATOM 59 O THR A 5 -16.022 -44.282 27.862 1.00 0.00 O ATOM 60 CB THR A 5 -13.712 -45.947 28.550 1.00 0.00 C ATOM 61 OG1 THR A 5 -14.462 -47.162 28.666 1.00 0.00 O ATOM 62 CG2 THR A 5 -12.270 -46.218 28.951 1.00 0.00 C ATOM 0 H THR A 5 -14.421 -46.267 31.016 1.00 0.00 H new ATOM 0 HA THR A 5 -13.755 -43.947 29.376 1.00 0.00 H new ATOM 0 HB THR A 5 -13.737 -45.588 27.521 1.00 0.00 H new ATOM 0 HG1 THR A 5 -15.126 -47.069 29.381 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.848 -46.982 28.298 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.688 -45.301 28.859 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.239 -46.565 29.984 1.00 0.00 H new ATOM 70 N SER A 6 -16.699 -44.869 29.929 1.00 0.00 N ATOM 71 CA SER A 6 -18.122 -44.700 29.653 1.00 0.00 C ATOM 72 C SER A 6 -18.379 -43.360 28.981 1.00 0.00 C ATOM 73 O SER A 6 -18.890 -43.296 27.864 1.00 0.00 O ATOM 74 CB SER A 6 -18.930 -44.752 30.951 1.00 0.00 C ATOM 75 OG SER A 6 -20.313 -44.580 30.699 1.00 0.00 O ATOM 0 H SER A 6 -16.492 -45.171 30.881 1.00 0.00 H new ATOM 0 HA SER A 6 -18.430 -45.511 28.993 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.764 -45.708 31.448 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.582 -43.974 31.631 1.00 0.00 H new ATOM 0 HG SER A 6 -20.807 -44.619 31.545 1.00 0.00 H new ATOM 81 N ALA A 7 -18.017 -42.288 29.680 1.00 0.00 N ATOM 82 CA ALA A 7 -18.197 -40.930 29.174 1.00 0.00 C ATOM 83 C ALA A 7 -17.427 -40.739 27.877 1.00 0.00 C ATOM 84 O ALA A 7 -17.916 -40.123 26.931 1.00 0.00 O ATOM 85 CB ALA A 7 -17.692 -39.915 30.188 1.00 0.00 C ATOM 0 H ALA A 7 -17.593 -42.335 30.607 1.00 0.00 H new ATOM 0 HA ALA A 7 -19.262 -40.778 28.997 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -17.833 -38.908 29.796 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -18.248 -40.023 31.119 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -16.632 -40.086 30.377 1.00 0.00 H new ATOM 91 N VAL A 8 -16.211 -41.277 27.846 1.00 0.00 N ATOM 92 CA VAL A 8 -15.345 -41.181 26.674 1.00 0.00 C ATOM 93 C VAL A 8 -15.976 -41.892 25.488 1.00 0.00 C ATOM 94 O VAL A 8 -15.938 -41.403 24.360 1.00 0.00 O ATOM 95 CB VAL A 8 -13.969 -41.823 26.935 1.00 0.00 C ATOM 96 CG1 VAL A 8 -13.165 -41.899 25.646 1.00 0.00 C ATOM 97 CG2 VAL A 8 -13.182 -41.003 27.945 1.00 0.00 C ATOM 0 H VAL A 8 -15.800 -41.789 28.627 1.00 0.00 H new ATOM 0 HA VAL A 8 -15.217 -40.120 26.460 1.00 0.00 H new ATOM 0 HB VAL A 8 -14.139 -42.826 27.325 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -12.196 -42.355 25.848 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -13.705 -42.502 24.916 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -13.018 -40.894 25.249 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -12.213 -41.471 28.117 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -13.034 -39.994 27.559 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -13.734 -40.955 28.884 1.00 0.00 H new ATOM 107 N GLU A 9 -16.557 -43.058 25.758 1.00 0.00 N ATOM 108 CA GLU A 9 -17.207 -43.863 24.728 1.00 0.00 C ATOM 109 C GLU A 9 -18.293 -43.060 24.031 1.00 0.00 C ATOM 110 O GLU A 9 -18.474 -43.152 22.818 1.00 0.00 O ATOM 111 CB GLU A 9 -17.847 -45.108 25.345 1.00 0.00 C ATOM 112 CG GLU A 9 -18.489 -46.043 24.333 1.00 0.00 C ATOM 113 CD GLU A 9 -19.068 -47.288 24.975 1.00 0.00 C ATOM 114 OE1 GLU A 9 -18.968 -47.419 26.214 1.00 0.00 O ATOM 115 OE2 GLU A 9 -19.621 -48.133 24.241 1.00 0.00 O ATOM 0 H GLU A 9 -16.591 -43.469 26.691 1.00 0.00 H new ATOM 0 HA GLU A 9 -16.445 -44.158 24.007 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -17.086 -45.657 25.899 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -18.603 -44.796 26.065 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -19.279 -45.511 23.803 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -17.746 -46.334 23.590 1.00 0.00 H new ATOM 123 N SER A 10 -19.016 -42.267 24.817 1.00 0.00 N ATOM 124 CA SER A 10 -20.096 -41.431 24.301 1.00 0.00 C ATOM 125 C SER A 10 -19.539 -40.152 23.700 1.00 0.00 C ATOM 126 O SER A 10 -19.899 -39.760 22.591 1.00 0.00 O ATOM 127 CB SER A 10 -21.066 -41.055 25.423 1.00 0.00 C ATOM 128 OG SER A 10 -21.706 -42.204 25.950 1.00 0.00 O ATOM 0 H SER A 10 -18.871 -42.186 25.823 1.00 0.00 H new ATOM 0 HA SER A 10 -20.620 -42.002 23.535 1.00 0.00 H new ATOM 0 HB2 SER A 10 -20.526 -40.539 26.217 1.00 0.00 H new ATOM 0 HB3 SER A 10 -21.815 -40.360 25.043 1.00 0.00 H new ATOM 0 HG SER A 10 -22.319 -41.937 26.666 1.00 0.00 H new ATOM 134 N ALA A 11 -18.652 -39.503 24.451 1.00 0.00 N ATOM 135 CA ALA A 11 -18.025 -38.259 24.016 1.00 0.00 C ATOM 136 C ALA A 11 -17.120 -38.507 22.820 1.00 0.00 C ATOM 137 O ALA A 11 -17.059 -37.704 21.891 1.00 0.00 O ATOM 138 CB ALA A 11 -17.187 -37.667 25.139 1.00 0.00 C ATOM 0 H ALA A 11 -18.350 -39.822 25.371 1.00 0.00 H new ATOM 0 HA ALA A 11 -18.819 -37.565 23.740 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -16.726 -36.740 24.799 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -17.824 -37.461 25.999 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -16.409 -38.375 25.425 1.00 0.00 H new ATOM 144 N ILE A 12 -16.417 -39.635 22.856 1.00 0.00 N ATOM 145 CA ILE A 12 -15.504 -40.020 21.785 1.00 0.00 C ATOM 146 C ILE A 12 -16.275 -40.326 20.512 1.00 0.00 C ATOM 147 O ILE A 12 -15.910 -39.883 19.424 1.00 0.00 O ATOM 148 CB ILE A 12 -14.692 -41.274 22.159 1.00 0.00 C ATOM 149 CG1 ILE A 12 -13.738 -40.966 23.315 1.00 0.00 C ATOM 150 CG2 ILE A 12 -13.871 -41.751 20.971 1.00 0.00 C ATOM 151 CD1 ILE A 12 -12.726 -39.886 23.000 1.00 0.00 C ATOM 0 H ILE A 12 -16.464 -40.305 23.624 1.00 0.00 H new ATOM 0 HA ILE A 12 -14.827 -39.180 21.630 1.00 0.00 H new ATOM 0 HB ILE A 12 -15.396 -42.051 22.456 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -14.321 -40.662 24.184 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -13.208 -41.878 23.590 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -13.304 -42.638 21.253 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -14.537 -41.995 20.143 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -13.183 -40.963 20.664 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -12.086 -39.724 23.867 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -12.116 -40.195 22.151 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -13.246 -38.960 22.755 1.00 0.00 H new ATOM 163 N THR A 13 -17.351 -41.094 20.663 1.00 0.00 N ATOM 164 CA THR A 13 -18.199 -41.479 19.538 1.00 0.00 C ATOM 165 C THR A 13 -18.868 -40.256 18.932 1.00 0.00 C ATOM 166 O THR A 13 -18.954 -40.117 17.713 1.00 0.00 O ATOM 167 CB THR A 13 -19.306 -42.456 19.974 1.00 0.00 C ATOM 168 OG1 THR A 13 -18.714 -43.659 20.481 1.00 0.00 O ATOM 169 CG2 THR A 13 -20.202 -42.807 18.796 1.00 0.00 C ATOM 0 H THR A 13 -17.658 -41.465 21.562 1.00 0.00 H new ATOM 0 HA THR A 13 -17.553 -41.963 18.806 1.00 0.00 H new ATOM 0 HB THR A 13 -19.904 -41.977 20.749 1.00 0.00 H new ATOM 0 HG1 THR A 13 -18.223 -43.460 21.306 1.00 0.00 H new ATOM 0 HG21 THR A 13 -20.979 -43.498 19.123 1.00 0.00 H new ATOM 0 HG22 THR A 13 -20.664 -41.900 18.407 1.00 0.00 H new ATOM 0 HG23 THR A 13 -19.606 -43.275 18.012 1.00 0.00 H new ATOM 177 N ASP A 14 -19.342 -39.369 19.803 1.00 0.00 N ATOM 178 CA ASP A 14 -20.011 -38.142 19.381 1.00 0.00 C ATOM 179 C ASP A 14 -19.022 -37.197 18.720 1.00 0.00 C ATOM 180 O ASP A 14 -19.264 -36.685 17.628 1.00 0.00 O ATOM 181 CB ASP A 14 -20.631 -37.429 20.584 1.00 0.00 C ATOM 182 CG ASP A 14 -21.840 -38.159 21.135 1.00 0.00 C ATOM 183 OD1 ASP A 14 -22.513 -37.604 22.029 1.00 0.00 O ATOM 184 OD2 ASP A 14 -22.116 -39.285 20.671 1.00 0.00 O ATOM 0 H ASP A 14 -19.274 -39.479 20.815 1.00 0.00 H new ATOM 0 HA ASP A 14 -20.791 -38.416 18.671 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -19.882 -37.331 21.369 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -20.922 -36.420 20.293 1.00 0.00 H new ATOM 190 N GLY A 15 -17.901 -36.972 19.398 1.00 0.00 N ATOM 191 CA GLY A 15 -16.851 -36.089 18.898 1.00 0.00 C ATOM 192 C GLY A 15 -15.950 -36.830 17.923 1.00 0.00 C ATOM 193 O GLY A 15 -15.935 -36.542 16.727 1.00 0.00 O ATOM 0 H GLY A 15 -17.695 -37.393 20.304 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -17.298 -35.226 18.405 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -16.260 -35.709 19.731 1.00 0.00 H new ATOM 197 N GLN A 16 -15.198 -37.790 18.452 1.00 0.00 N ATOM 198 CA GLN A 16 -14.281 -38.594 17.650 1.00 0.00 C ATOM 199 C GLN A 16 -14.983 -39.124 16.410 1.00 0.00 C ATOM 200 O GLN A 16 -14.526 -38.925 15.286 1.00 0.00 O ATOM 201 CB GLN A 16 -13.764 -39.785 18.460 1.00 0.00 C ATOM 202 CG GLN A 16 -12.766 -40.656 17.714 1.00 0.00 C ATOM 203 CD GLN A 16 -11.482 -39.920 17.387 1.00 0.00 C ATOM 204 OE1 GLN A 16 -11.119 -39.906 16.109 1.00 0.00 O flip ATOM 205 NE2 GLN A 16 -10.826 -39.372 18.273 1.00 0.00 N flip ATOM 0 H GLN A 16 -15.206 -38.032 19.443 1.00 0.00 H new ATOM 0 HA GLN A 16 -13.447 -37.955 17.358 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -13.296 -39.415 19.372 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -14.611 -40.400 18.763 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -12.534 -41.534 18.316 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -13.221 -41.014 16.790 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -11.145 -39.410 19.241 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.964 -38.880 18.039 1.00 0.00 H new ATOM 214 N GLY A 17 -16.104 -39.805 16.632 1.00 0.00 N ATOM 215 CA GLY A 17 -16.895 -40.379 15.547 1.00 0.00 C ATOM 216 C GLY A 17 -17.183 -39.330 14.485 1.00 0.00 C ATOM 217 O GLY A 17 -17.016 -39.571 13.291 1.00 0.00 O ATOM 0 H GLY A 17 -16.488 -39.974 17.562 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -16.359 -41.217 15.102 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -17.832 -40.773 15.941 1.00 0.00 H new ATOM 221 N ASP A 18 -17.618 -38.157 14.938 1.00 0.00 N ATOM 222 CA ASP A 18 -17.939 -37.047 14.046 1.00 0.00 C ATOM 223 C ASP A 18 -16.745 -36.709 13.167 1.00 0.00 C ATOM 224 O ASP A 18 -16.868 -35.994 12.174 1.00 0.00 O ATOM 225 CB ASP A 18 -18.314 -35.802 14.853 1.00 0.00 C ATOM 226 CG ASP A 18 -19.655 -35.940 15.547 1.00 0.00 C ATOM 227 OD1 ASP A 18 -20.401 -34.939 15.601 1.00 0.00 O ATOM 228 OD2 ASP A 18 -19.960 -37.048 16.036 1.00 0.00 O ATOM 0 H ASP A 18 -17.757 -37.950 15.927 1.00 0.00 H new ATOM 0 HA ASP A 18 -18.781 -37.352 13.425 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -17.542 -35.610 15.598 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -18.339 -34.937 14.190 1.00 0.00 H new ATOM 234 N MET A 19 -15.584 -37.235 13.546 1.00 0.00 N ATOM 235 CA MET A 19 -14.345 -37.006 12.809 1.00 0.00 C ATOM 236 C MET A 19 -14.433 -37.615 11.419 1.00 0.00 C ATOM 237 O MET A 19 -14.013 -37.011 10.433 1.00 0.00 O ATOM 238 CB MET A 19 -13.161 -37.640 13.541 1.00 0.00 C ATOM 239 CG MET A 19 -11.814 -37.379 12.887 1.00 0.00 C ATOM 240 SD MET A 19 -10.445 -38.131 13.788 1.00 0.00 S ATOM 241 CE MET A 19 -10.417 -37.120 15.266 1.00 0.00 C ATOM 0 H MET A 19 -15.475 -37.829 14.368 1.00 0.00 H new ATOM 0 HA MET A 19 -14.198 -35.929 12.732 1.00 0.00 H new ATOM 0 HB2 MET A 19 -13.136 -37.263 14.563 1.00 0.00 H new ATOM 0 HB3 MET A 19 -13.320 -38.717 13.603 1.00 0.00 H new ATOM 0 HG2 MET A 19 -11.829 -37.765 11.868 1.00 0.00 H new ATOM 0 HG3 MET A 19 -11.651 -36.304 12.818 1.00 0.00 H new ATOM 0 HE1 MET A 19 -9.493 -37.303 15.814 1.00 0.00 H new ATOM 0 HE2 MET A 19 -10.472 -36.067 14.988 1.00 0.00 H new ATOM 0 HE3 MET A 19 -11.269 -37.374 15.897 1.00 0.00 H new ATOM 251 N LYS A 20 -14.985 -38.823 11.354 1.00 0.00 N ATOM 252 CA LYS A 20 -15.142 -39.542 10.093 1.00 0.00 C ATOM 253 C LYS A 20 -15.961 -38.720 9.110 1.00 0.00 C ATOM 254 O LYS A 20 -15.647 -38.651 7.923 1.00 0.00 O ATOM 255 CB LYS A 20 -15.857 -40.875 10.322 1.00 0.00 C ATOM 256 CG LYS A 20 -16.008 -41.722 9.068 1.00 0.00 C ATOM 257 CD LYS A 20 -16.674 -43.052 9.378 1.00 0.00 C ATOM 258 CE LYS A 20 -16.839 -43.892 8.122 1.00 0.00 C ATOM 259 NZ LYS A 20 -17.480 -45.205 8.411 1.00 0.00 N ATOM 0 H LYS A 20 -15.334 -39.329 12.168 1.00 0.00 H new ATOM 0 HA LYS A 20 -14.147 -39.721 9.686 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.307 -41.447 11.069 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -16.846 -40.678 10.736 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -16.599 -41.180 8.329 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -15.028 -41.898 8.625 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -16.077 -43.599 10.108 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.650 -42.876 9.831 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -17.442 -43.346 7.397 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -15.863 -44.057 7.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -17.574 -45.747 7.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -16.892 -45.738 9.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -18.422 -45.048 8.823 1.00 0.00 H new ATOM 273 N ALA A 21 -17.018 -38.095 9.623 1.00 0.00 N ATOM 274 CA ALA A 21 -17.904 -37.267 8.811 1.00 0.00 C ATOM 275 C ALA A 21 -17.186 -36.009 8.353 1.00 0.00 C ATOM 276 O ALA A 21 -17.317 -35.582 7.207 1.00 0.00 O ATOM 277 CB ALA A 21 -19.130 -36.857 9.613 1.00 0.00 C ATOM 0 H ALA A 21 -17.283 -38.148 10.607 1.00 0.00 H new ATOM 0 HA ALA A 21 -18.207 -37.855 7.944 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -19.781 -36.240 8.993 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -19.671 -37.748 9.932 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -18.818 -36.289 10.489 1.00 0.00 H new ATOM 283 N ILE A 22 -16.421 -35.418 9.268 1.00 0.00 N ATOM 284 CA ILE A 22 -15.666 -34.200 8.985 1.00 0.00 C ATOM 285 C ILE A 22 -14.611 -34.464 7.923 1.00 0.00 C ATOM 286 O ILE A 22 -14.493 -33.725 6.947 1.00 0.00 O ATOM 287 CB ILE A 22 -14.951 -33.674 10.243 1.00 0.00 C ATOM 288 CG1 ILE A 22 -15.972 -33.185 11.272 1.00 0.00 C ATOM 289 CG2 ILE A 22 -14.031 -32.515 9.889 1.00 0.00 C ATOM 290 CD1 ILE A 22 -15.375 -32.882 12.629 1.00 0.00 C ATOM 0 H ILE A 22 -16.307 -35.767 10.220 1.00 0.00 H new ATOM 0 HA ILE A 22 -16.383 -33.456 8.636 1.00 0.00 H new ATOM 0 HB ILE A 22 -14.367 -34.494 10.661 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -16.457 -32.287 10.890 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -16.748 -33.942 11.388 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -13.534 -32.156 10.791 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -13.282 -32.851 9.171 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -14.616 -31.706 9.451 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -16.160 -32.541 13.304 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -14.915 -33.784 13.034 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -14.619 -32.103 12.528 1.00 0.00 H new ATOM 302 N GLY A 23 -13.843 -35.530 8.127 1.00 0.00 N ATOM 303 CA GLY A 23 -12.784 -35.918 7.199 1.00 0.00 C ATOM 304 C GLY A 23 -13.376 -36.354 5.868 1.00 0.00 C ATOM 305 O GLY A 23 -12.890 -35.978 4.802 1.00 0.00 O ATOM 0 H GLY A 23 -13.935 -36.146 8.935 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -12.103 -35.081 7.044 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.197 -36.731 7.627 1.00 0.00 H new ATOM 309 N GLY A 24 -14.436 -37.153 5.945 1.00 0.00 N ATOM 310 CA GLY A 24 -15.118 -37.659 4.758 1.00 0.00 C ATOM 311 C GLY A 24 -15.812 -36.526 4.019 1.00 0.00 C ATOM 312 O GLY A 24 -15.598 -36.319 2.826 1.00 0.00 O ATOM 0 H GLY A 24 -14.844 -37.466 6.826 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.399 -38.145 4.098 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -15.849 -38.415 5.046 1.00 0.00 H new ATOM 316 N TYR A 25 -16.650 -35.793 4.747 1.00 0.00 N ATOM 317 CA TYR A 25 -17.393 -34.669 4.185 1.00 0.00 C ATOM 318 C TYR A 25 -16.442 -33.664 3.556 1.00 0.00 C ATOM 319 O TYR A 25 -16.720 -33.102 2.497 1.00 0.00 O ATOM 320 CB TYR A 25 -18.196 -33.958 5.276 1.00 0.00 C ATOM 321 CG TYR A 25 -18.986 -32.769 4.779 1.00 0.00 C ATOM 322 CD1 TYR A 25 -20.182 -32.945 4.095 1.00 0.00 C ATOM 323 CD2 TYR A 25 -18.533 -31.473 4.995 1.00 0.00 C ATOM 324 CE1 TYR A 25 -20.910 -31.864 3.637 1.00 0.00 C ATOM 325 CE2 TYR A 25 -19.248 -30.380 4.545 1.00 0.00 C ATOM 326 CZ TYR A 25 -20.446 -30.586 3.861 1.00 0.00 C ATOM 327 OH TYR A 25 -21.170 -29.507 3.406 1.00 0.00 O ATOM 0 H TYR A 25 -16.832 -35.960 5.737 1.00 0.00 H new ATOM 0 HA TYR A 25 -18.069 -35.064 3.426 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -18.881 -34.672 5.732 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -17.513 -33.627 6.058 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -20.549 -33.945 3.918 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -17.605 -31.317 5.525 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -21.838 -32.020 3.106 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -18.884 -29.378 4.721 1.00 0.00 H new ATOM 0 HH TYR A 25 -20.707 -28.677 3.646 1.00 0.00 H new ATOM 337 N ILE A 26 -15.314 -33.444 4.224 1.00 0.00 N ATOM 338 CA ILE A 26 -14.297 -32.507 3.752 1.00 0.00 C ATOM 339 C ILE A 26 -13.530 -33.101 2.582 1.00 0.00 C ATOM 340 O ILE A 26 -13.290 -32.436 1.576 1.00 0.00 O ATOM 341 CB ILE A 26 -13.283 -32.169 4.861 1.00 0.00 C ATOM 342 CG1 ILE A 26 -13.963 -31.383 5.984 1.00 0.00 C ATOM 343 CG2 ILE A 26 -12.146 -31.326 4.304 1.00 0.00 C ATOM 344 CD1 ILE A 26 -13.108 -31.222 7.221 1.00 0.00 C ATOM 0 H ILE A 26 -15.079 -33.906 5.102 1.00 0.00 H new ATOM 0 HA ILE A 26 -14.818 -31.600 3.447 1.00 0.00 H new ATOM 0 HB ILE A 26 -12.890 -33.108 5.251 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -14.235 -30.396 5.611 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -14.890 -31.887 6.258 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -11.439 -31.096 5.101 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -11.636 -31.879 3.515 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -12.547 -30.398 3.896 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -13.658 -30.655 7.972 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.857 -32.205 7.620 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.192 -30.690 6.963 1.00 0.00 H new ATOM 356 N VAL A 27 -13.148 -34.366 2.728 1.00 0.00 N ATOM 357 CA VAL A 27 -12.402 -35.080 1.695 1.00 0.00 C ATOM 358 C VAL A 27 -13.319 -35.461 0.544 1.00 0.00 C ATOM 359 O VAL A 27 -12.895 -35.540 -0.608 1.00 0.00 O ATOM 360 CB VAL A 27 -11.771 -36.372 2.246 1.00 0.00 C ATOM 361 CG1 VAL A 27 -12.841 -37.427 2.486 1.00 0.00 C ATOM 362 CG2 VAL A 27 -10.757 -36.933 1.260 1.00 0.00 C ATOM 0 H VAL A 27 -13.345 -34.923 3.560 1.00 0.00 H new ATOM 0 HA VAL A 27 -11.615 -34.409 1.351 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.276 -36.125 3.185 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.377 -38.333 2.875 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -13.567 -37.052 3.208 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -13.347 -37.653 1.547 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -10.321 -37.846 1.666 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -11.253 -37.157 0.316 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.969 -36.199 1.091 1.00 0.00 H new ATOM 372 N GLY A 28 -14.586 -35.697 0.872 1.00 0.00 N ATOM 373 CA GLY A 28 -15.591 -36.075 -0.117 1.00 0.00 C ATOM 374 C GLY A 28 -16.002 -34.867 -0.945 1.00 0.00 C ATOM 375 O GLY A 28 -16.478 -35.000 -2.071 1.00 0.00 O ATOM 0 H GLY A 28 -14.944 -35.632 1.825 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -15.194 -36.853 -0.769 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -16.464 -36.494 0.384 1.00 0.00 H new ATOM 379 N ALA A 29 -15.810 -33.684 -0.369 1.00 0.00 N ATOM 380 CA ALA A 29 -16.153 -32.429 -1.031 1.00 0.00 C ATOM 381 C ALA A 29 -15.018 -31.977 -1.936 1.00 0.00 C ATOM 382 O ALA A 29 -15.241 -31.371 -2.983 1.00 0.00 O ATOM 383 CB ALA A 29 -16.411 -31.340 -0.001 1.00 0.00 C ATOM 0 H ALA A 29 -15.415 -33.568 0.564 1.00 0.00 H new ATOM 0 HA ALA A 29 -17.052 -32.599 -1.624 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -16.665 -30.410 -0.510 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -17.237 -31.638 0.644 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -15.515 -31.190 0.602 1.00 0.00 H new ATOM 389 N LEU A 30 -13.794 -32.280 -1.515 1.00 0.00 N ATOM 390 CA LEU A 30 -12.597 -31.916 -2.270 1.00 0.00 C ATOM 391 C LEU A 30 -12.678 -32.457 -3.688 1.00 0.00 C ATOM 392 O LEU A 30 -12.143 -31.867 -4.625 1.00 0.00 O ATOM 393 CB LEU A 30 -11.347 -32.493 -1.603 1.00 0.00 C ATOM 394 CG LEU A 30 -10.938 -31.863 -0.269 1.00 0.00 C ATOM 395 CD1 LEU A 30 -9.763 -32.611 0.341 1.00 0.00 C ATOM 396 CD2 LEU A 30 -10.529 -30.411 -0.463 1.00 0.00 C ATOM 0 H LEU A 30 -13.603 -32.781 -0.647 1.00 0.00 H new ATOM 0 HA LEU A 30 -12.536 -30.828 -2.292 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -11.506 -33.559 -1.443 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.513 -32.395 -2.298 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.800 -31.920 0.396 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.488 -32.147 1.288 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.043 -33.650 0.514 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.914 -32.573 -0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.242 -29.982 0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.684 -30.360 -1.150 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -11.367 -29.849 -0.875 1.00 0.00 H new ATOM 408 N VAL A 31 -13.355 -33.592 -3.833 1.00 0.00 N ATOM 409 CA VAL A 31 -13.525 -34.240 -5.131 1.00 0.00 C ATOM 410 C VAL A 31 -14.133 -33.273 -6.133 1.00 0.00 C ATOM 411 O VAL A 31 -13.808 -33.299 -7.319 1.00 0.00 O ATOM 412 CB VAL A 31 -14.453 -35.465 -5.033 1.00 0.00 C ATOM 413 CG1 VAL A 31 -14.798 -35.985 -6.420 1.00 0.00 C ATOM 414 CG2 VAL A 31 -13.777 -36.584 -4.255 1.00 0.00 C ATOM 0 H VAL A 31 -13.799 -34.087 -3.060 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.535 -34.558 -5.458 1.00 0.00 H new ATOM 0 HB VAL A 31 -15.362 -35.153 -4.519 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -15.454 -36.851 -6.331 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -15.303 -35.203 -6.986 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -13.884 -36.275 -6.938 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -14.447 -37.442 -4.195 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -12.858 -36.876 -4.762 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -13.542 -36.237 -3.249 1.00 0.00 H new ATOM 424 N ILE A 32 -15.022 -32.417 -5.639 1.00 0.00 N ATOM 425 CA ILE A 32 -15.696 -31.424 -6.472 1.00 0.00 C ATOM 426 C ILE A 32 -14.697 -30.414 -7.010 1.00 0.00 C ATOM 427 O ILE A 32 -14.747 -30.028 -8.177 1.00 0.00 O ATOM 428 CB ILE A 32 -16.766 -30.653 -5.677 1.00 0.00 C ATOM 429 CG1 ILE A 32 -17.913 -31.587 -5.283 1.00 0.00 C ATOM 430 CG2 ILE A 32 -17.336 -29.517 -6.513 1.00 0.00 C ATOM 431 CD1 ILE A 32 -18.884 -30.978 -4.295 1.00 0.00 C ATOM 0 H ILE A 32 -15.295 -32.391 -4.657 1.00 0.00 H new ATOM 0 HA ILE A 32 -16.170 -31.967 -7.290 1.00 0.00 H new ATOM 0 HB ILE A 32 -16.291 -30.250 -4.782 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -18.458 -31.878 -6.181 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -17.496 -32.498 -4.854 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -18.091 -28.983 -5.935 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -16.536 -28.830 -6.787 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -17.791 -29.923 -7.417 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -19.668 -31.699 -4.064 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -18.354 -30.713 -3.380 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -19.330 -30.083 -4.728 1.00 0.00 H new ATOM 443 N LEU A 33 -13.785 -29.989 -6.140 1.00 0.00 N ATOM 444 CA LEU A 33 -12.755 -29.018 -6.501 1.00 0.00 C ATOM 445 C LEU A 33 -11.857 -29.577 -7.592 1.00 0.00 C ATOM 446 O LEU A 33 -11.583 -28.915 -8.592 1.00 0.00 O ATOM 447 CB LEU A 33 -11.888 -28.680 -5.286 1.00 0.00 C ATOM 448 CG LEU A 33 -12.547 -27.829 -4.199 1.00 0.00 C ATOM 449 CD1 LEU A 33 -11.622 -27.678 -3.001 1.00 0.00 C ATOM 450 CD2 LEU A 33 -12.874 -26.441 -4.726 1.00 0.00 C ATOM 0 H LEU A 33 -13.738 -30.305 -5.171 1.00 0.00 H new ATOM 0 HA LEU A 33 -13.256 -28.119 -6.859 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.554 -29.614 -4.834 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.997 -28.158 -5.636 1.00 0.00 H new ATOM 0 HG LEU A 33 -13.464 -28.336 -3.899 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -12.109 -27.069 -2.239 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.396 -28.662 -2.590 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.697 -27.194 -3.314 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.342 -25.853 -3.936 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -11.957 -25.949 -5.050 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -13.558 -26.524 -5.570 1.00 0.00 H new ATOM 462 N ALA A 34 -11.401 -30.809 -7.386 1.00 0.00 N ATOM 463 CA ALA A 34 -10.526 -31.487 -8.340 1.00 0.00 C ATOM 464 C ALA A 34 -11.205 -31.603 -9.695 1.00 0.00 C ATOM 465 O ALA A 34 -10.581 -31.411 -10.738 1.00 0.00 O ATOM 466 CB ALA A 34 -10.189 -32.886 -7.848 1.00 0.00 C ATOM 0 H ALA A 34 -11.625 -31.363 -6.559 1.00 0.00 H new ATOM 0 HA ALA A 34 -9.614 -30.898 -8.434 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -9.537 -33.378 -8.569 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -9.682 -32.821 -6.885 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -11.107 -33.463 -7.736 1.00 0.00 H new ATOM 472 N VAL A 35 -12.496 -31.920 -9.666 1.00 0.00 N ATOM 473 CA VAL A 35 -13.290 -32.069 -10.882 1.00 0.00 C ATOM 474 C VAL A 35 -13.218 -30.806 -11.723 1.00 0.00 C ATOM 475 O VAL A 35 -13.064 -30.861 -12.942 1.00 0.00 O ATOM 476 CB VAL A 35 -14.771 -32.339 -10.559 1.00 0.00 C ATOM 477 CG1 VAL A 35 -15.611 -32.282 -11.826 1.00 0.00 C ATOM 478 CG2 VAL A 35 -14.938 -33.715 -9.933 1.00 0.00 C ATOM 0 H VAL A 35 -13.019 -32.080 -8.805 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.876 -32.916 -11.429 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.103 -31.572 -9.859 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -16.655 -32.475 -11.579 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -15.522 -31.294 -12.278 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -15.259 -33.036 -12.530 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -15.991 -33.889 -9.711 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -14.583 -34.476 -10.628 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.360 -33.768 -9.011 1.00 0.00 H new ATOM 488 N ALA A 36 -13.333 -29.663 -11.053 1.00 0.00 N ATOM 489 CA ALA A 36 -13.284 -28.362 -11.715 1.00 0.00 C ATOM 490 C ALA A 36 -11.914 -28.128 -12.329 1.00 0.00 C ATOM 491 O ALA A 36 -11.796 -27.701 -13.477 1.00 0.00 O ATOM 492 CB ALA A 36 -13.561 -27.248 -10.717 1.00 0.00 C ATOM 0 H ALA A 36 -13.462 -29.611 -10.043 1.00 0.00 H new ATOM 0 HA ALA A 36 -14.044 -28.357 -12.496 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -13.521 -26.285 -11.226 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -14.551 -27.387 -10.282 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -12.810 -27.272 -9.927 1.00 0.00 H new ATOM 498 N GLY A 37 -10.877 -28.414 -11.547 1.00 0.00 N ATOM 499 CA GLY A 37 -9.496 -28.243 -11.988 1.00 0.00 C ATOM 500 C GLY A 37 -9.288 -28.893 -13.347 1.00 0.00 C ATOM 501 O GLY A 37 -8.924 -28.232 -14.319 1.00 0.00 O ATOM 0 H GLY A 37 -10.969 -28.769 -10.595 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -9.255 -27.182 -12.045 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.817 -28.685 -11.259 1.00 0.00 H new ATOM 505 N LEU A 38 -9.525 -30.200 -13.401 1.00 0.00 N ATOM 506 CA LEU A 38 -9.371 -30.971 -14.632 1.00 0.00 C ATOM 507 C LEU A 38 -10.300 -30.440 -15.711 1.00 0.00 C ATOM 508 O LEU A 38 -9.934 -30.360 -16.882 1.00 0.00 O ATOM 509 CB LEU A 38 -9.705 -32.444 -14.387 1.00 0.00 C ATOM 510 CG LEU A 38 -8.702 -33.236 -13.546 1.00 0.00 C ATOM 511 CD1 LEU A 38 -9.219 -34.641 -13.275 1.00 0.00 C ATOM 512 CD2 LEU A 38 -7.368 -33.350 -14.267 1.00 0.00 C ATOM 0 H LEU A 38 -9.827 -30.753 -12.599 1.00 0.00 H new ATOM 0 HA LEU A 38 -8.335 -30.876 -14.957 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -10.678 -32.497 -13.899 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.806 -32.937 -15.354 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.571 -32.701 -12.605 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.491 -35.187 -12.676 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -10.164 -34.583 -12.734 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.373 -35.161 -14.221 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.669 -33.917 -13.652 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.511 -33.862 -15.219 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.966 -32.353 -14.448 1.00 0.00 H new ATOM 524 N ILE A 39 -11.511 -30.077 -15.300 1.00 0.00 N ATOM 525 CA ILE A 39 -12.519 -29.547 -16.213 1.00 0.00 C ATOM 526 C ILE A 39 -12.005 -28.298 -16.908 1.00 0.00 C ATOM 527 O ILE A 39 -12.167 -28.129 -18.116 1.00 0.00 O ATOM 528 CB ILE A 39 -13.815 -29.174 -15.469 1.00 0.00 C ATOM 529 CG1 ILE A 39 -14.502 -30.432 -14.932 1.00 0.00 C ATOM 530 CG2 ILE A 39 -14.779 -28.459 -16.403 1.00 0.00 C ATOM 531 CD1 ILE A 39 -14.902 -31.416 -16.010 1.00 0.00 C ATOM 0 H ILE A 39 -11.821 -30.141 -14.330 1.00 0.00 H new ATOM 0 HA ILE A 39 -12.729 -30.331 -16.941 1.00 0.00 H new ATOM 0 HB ILE A 39 -13.548 -28.516 -14.642 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -13.833 -30.929 -14.230 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -15.390 -30.139 -14.373 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -15.689 -28.203 -15.860 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -14.313 -27.548 -16.780 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -15.027 -29.112 -17.240 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -15.382 -32.281 -15.553 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -15.597 -30.937 -16.700 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -14.015 -31.739 -16.555 1.00 0.00 H new ATOM 543 N TYR A 40 -11.380 -27.422 -16.126 1.00 0.00 N ATOM 544 CA TYR A 40 -10.828 -26.172 -16.641 1.00 0.00 C ATOM 545 C TYR A 40 -9.636 -26.447 -17.542 1.00 0.00 C ATOM 546 O TYR A 40 -9.478 -25.830 -18.594 1.00 0.00 O ATOM 547 CB TYR A 40 -10.367 -25.275 -15.490 1.00 0.00 C ATOM 548 CG TYR A 40 -9.804 -23.945 -15.937 1.00 0.00 C ATOM 549 CD1 TYR A 40 -10.647 -22.912 -16.328 1.00 0.00 C ATOM 550 CD2 TYR A 40 -8.433 -23.727 -15.967 1.00 0.00 C ATOM 551 CE1 TYR A 40 -10.141 -21.693 -16.738 1.00 0.00 C ATOM 552 CE2 TYR A 40 -7.910 -22.514 -16.375 1.00 0.00 C ATOM 553 CZ TYR A 40 -8.778 -21.494 -16.762 1.00 0.00 C ATOM 554 OH TYR A 40 -8.272 -20.281 -17.170 1.00 0.00 O ATOM 0 H TYR A 40 -11.242 -27.557 -15.124 1.00 0.00 H new ATOM 0 HA TYR A 40 -11.613 -25.672 -17.209 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -11.210 -25.096 -14.822 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -9.609 -25.803 -14.912 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -11.716 -23.064 -16.311 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -7.763 -24.519 -15.666 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -10.811 -20.901 -17.038 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -6.841 -22.358 -16.394 1.00 0.00 H new ATOM 0 HH TYR A 40 -7.293 -20.304 -17.128 1.00 0.00 H new ATOM 564 N SER A 41 -8.796 -27.387 -17.114 1.00 0.00 N ATOM 565 CA SER A 41 -7.605 -27.768 -17.865 1.00 0.00 C ATOM 566 C SER A 41 -7.985 -28.284 -19.243 1.00 0.00 C ATOM 567 O SER A 41 -7.438 -27.855 -20.257 1.00 0.00 O ATOM 568 CB SER A 41 -6.839 -28.870 -17.131 1.00 0.00 C ATOM 569 OG SER A 41 -6.315 -28.397 -15.903 1.00 0.00 O ATOM 0 H SER A 41 -8.922 -27.902 -16.243 1.00 0.00 H new ATOM 0 HA SER A 41 -6.977 -26.882 -17.963 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.501 -29.716 -16.945 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.027 -29.233 -17.760 1.00 0.00 H new ATOM 0 HG SER A 41 -7.044 -28.283 -15.258 1.00 0.00 H new ATOM 575 N MET A 42 -8.935 -29.216 -19.265 1.00 0.00 N ATOM 576 CA MET A 42 -9.413 -29.812 -20.509 1.00 0.00 C ATOM 577 C MET A 42 -10.080 -28.762 -21.382 1.00 0.00 C ATOM 578 O MET A 42 -9.895 -28.734 -22.598 1.00 0.00 O ATOM 579 CB MET A 42 -10.432 -30.916 -20.218 1.00 0.00 C ATOM 580 CG MET A 42 -10.922 -31.650 -21.455 1.00 0.00 C ATOM 581 SD MET A 42 -12.096 -32.962 -21.065 1.00 0.00 S ATOM 582 CE MET A 42 -13.524 -32.003 -20.568 1.00 0.00 C ATOM 0 H MET A 42 -9.392 -29.577 -18.427 1.00 0.00 H new ATOM 0 HA MET A 42 -8.551 -30.231 -21.028 1.00 0.00 H new ATOM 0 HB2 MET A 42 -9.985 -31.637 -19.534 1.00 0.00 H new ATOM 0 HB3 MET A 42 -11.289 -30.479 -19.705 1.00 0.00 H new ATOM 0 HG2 MET A 42 -11.391 -30.938 -22.133 1.00 0.00 H new ATOM 0 HG3 MET A 42 -10.068 -32.076 -21.982 1.00 0.00 H new ATOM 0 HE1 MET A 42 -14.402 -32.648 -20.536 1.00 0.00 H new ATOM 0 HE2 MET A 42 -13.350 -31.577 -19.580 1.00 0.00 H new ATOM 0 HE3 MET A 42 -13.690 -31.199 -21.285 1.00 0.00 H new ATOM 592 N LEU A 43 -10.861 -27.896 -20.743 1.00 0.00 N ATOM 593 CA LEU A 43 -11.573 -26.827 -21.437 1.00 0.00 C ATOM 594 C LEU A 43 -10.613 -25.715 -21.828 1.00 0.00 C ATOM 595 O LEU A 43 -10.703 -25.151 -22.917 1.00 0.00 O ATOM 596 CB LEU A 43 -12.659 -26.234 -20.537 1.00 0.00 C ATOM 597 CG LEU A 43 -13.871 -27.126 -20.260 1.00 0.00 C ATOM 598 CD1 LEU A 43 -14.805 -26.467 -19.256 1.00 0.00 C ATOM 599 CD2 LEU A 43 -14.653 -27.383 -21.539 1.00 0.00 C ATOM 0 H LEU A 43 -11.018 -27.915 -19.735 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.027 -27.256 -22.331 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.205 -25.968 -19.583 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.012 -25.308 -20.991 1.00 0.00 H new ATOM 0 HG LEU A 43 -13.498 -28.068 -19.858 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -15.660 -27.118 -19.073 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -14.272 -26.297 -18.321 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -15.153 -25.514 -19.654 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -15.510 -28.019 -21.320 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -15.000 -26.435 -21.950 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.009 -27.879 -22.265 1.00 0.00 H new ATOM 611 N ARG A 44 -9.690 -25.407 -20.922 1.00 0.00 N ATOM 612 CA ARG A 44 -8.695 -24.363 -21.145 1.00 0.00 C ATOM 613 C ARG A 44 -7.534 -24.900 -21.966 1.00 0.00 C ATOM 614 O ARG A 44 -6.931 -24.182 -22.762 1.00 0.00 O ATOM 615 CB ARG A 44 -8.148 -23.851 -19.811 1.00 0.00 C ATOM 616 CG ARG A 44 -7.169 -22.695 -19.945 1.00 0.00 C ATOM 617 CD ARG A 44 -7.858 -21.446 -20.469 1.00 0.00 C ATOM 618 NE ARG A 44 -6.935 -20.320 -20.588 1.00 0.00 N ATOM 619 CZ ARG A 44 -7.235 -19.166 -21.173 1.00 0.00 C ATOM 620 NH1 ARG A 44 -8.440 -18.982 -21.696 1.00 0.00 N ATOM 621 NH2 ARG A 44 -6.331 -18.198 -21.234 1.00 0.00 N ATOM 0 H ARG A 44 -9.611 -25.871 -20.017 1.00 0.00 H new ATOM 0 HA ARG A 44 -9.182 -23.549 -21.682 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -8.983 -23.536 -19.185 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -7.654 -24.673 -19.293 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.717 -22.484 -18.976 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -6.360 -22.977 -20.619 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -8.299 -21.657 -21.443 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -8.675 -21.176 -19.801 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.999 -20.427 -20.196 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -9.136 -19.727 -21.649 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -8.671 -18.096 -22.145 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.404 -18.339 -20.832 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.562 -17.312 -21.683 1.00 0.00 H new ATOM 635 N LYS A 45 -7.228 -26.178 -21.760 1.00 0.00 N ATOM 636 CA LYS A 45 -6.139 -26.843 -22.470 1.00 0.00 C ATOM 637 C LYS A 45 -6.530 -27.109 -23.914 1.00 0.00 C ATOM 638 O LYS A 45 -5.762 -26.848 -24.839 1.00 0.00 O ATOM 639 CB LYS A 45 -5.804 -28.180 -21.806 1.00 0.00 C ATOM 640 CG LYS A 45 -4.642 -28.919 -22.449 1.00 0.00 C ATOM 641 CD LYS A 45 -4.328 -30.207 -21.707 1.00 0.00 C ATOM 642 CE LYS A 45 -3.175 -30.954 -22.360 1.00 0.00 C ATOM 643 NZ LYS A 45 -2.848 -32.213 -21.636 1.00 0.00 N ATOM 0 H LYS A 45 -7.724 -26.778 -21.101 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.270 -26.185 -22.437 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.572 -28.004 -20.756 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.687 -28.819 -21.834 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.882 -29.145 -23.488 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.761 -28.278 -22.458 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.077 -29.980 -20.671 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.213 -30.844 -21.689 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.432 -31.186 -23.394 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.295 -30.311 -22.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.057 -32.692 -22.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.578 -31.990 -20.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.680 -32.837 -21.632 1.00 0.00 H new ATOM 657 N ALA A 46 -7.738 -27.636 -24.095 1.00 0.00 N ATOM 658 CA ALA A 46 -8.261 -27.951 -25.421 1.00 0.00 C ATOM 659 C ALA A 46 -9.661 -28.535 -25.298 1.00 0.00 C ATOM 660 O ALA A 46 -10.182 -28.679 -24.194 1.00 0.00 O ATOM 661 CB ALA A 46 -7.324 -28.933 -26.117 1.00 0.00 C ATOM 0 H ALA A 46 -8.378 -27.856 -23.332 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.320 -27.041 -26.018 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.714 -29.169 -27.107 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.335 -28.486 -26.214 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.253 -29.847 -25.528 1.00 0.00 H new TER 667 ALA A 46