USER MOD reduce.3.24.130724 H: found=0, std=0, add=343, rem=0, adj=10 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 : amide:sc= -2.16 K(o=-3.4,f=-1.1) USER MOD Set 1.2: A 19 MET CE :methyl -171:sc= -1.2 (180deg=-0.334) USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.18 (180deg=-0.68) USER MOD Single : A 5 THR OG1 : rot -8:sc= 0.294 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 116:sc= 1.02 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 74:sc= 0.3 USER MOD Single : A 42 MET CE :methyl 167:sc=-0.00913 (180deg=-0.25) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.560 -43.080 36.472 1.00 0.00 N ATOM 2 CA GLY A 1 21.830 -44.504 36.515 1.00 0.00 C ATOM 3 C GLY A 1 21.096 -45.207 35.385 1.00 0.00 C ATOM 4 O GLY A 1 20.396 -44.573 34.597 1.00 0.00 O ATOM 0 H1 GLY A 1 22.458 -42.555 36.502 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.053 -42.849 35.594 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.975 -42.813 37.289 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.902 -44.682 36.429 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.515 -44.913 37.475 1.00 0.00 H new ATOM 8 N VAL A 2 21.267 -46.525 35.320 1.00 0.00 N ATOM 9 CA VAL A 2 20.630 -47.345 34.294 1.00 0.00 C ATOM 10 C VAL A 2 19.130 -47.417 34.525 1.00 0.00 C ATOM 11 O VAL A 2 18.336 -47.295 33.593 1.00 0.00 O ATOM 12 CB VAL A 2 21.179 -48.784 34.300 1.00 0.00 C ATOM 13 CG1 VAL A 2 20.375 -49.665 33.356 1.00 0.00 C ATOM 14 CG2 VAL A 2 22.633 -48.801 33.852 1.00 0.00 C ATOM 0 H VAL A 2 21.847 -47.052 35.973 1.00 0.00 H new ATOM 0 HA VAL A 2 20.847 -46.876 33.334 1.00 0.00 H new ATOM 0 HB VAL A 2 21.101 -49.165 35.318 1.00 0.00 H new ATOM 0 HG11 VAL A 2 20.777 -50.678 33.373 1.00 0.00 H new ATOM 0 HG12 VAL A 2 19.333 -49.683 33.674 1.00 0.00 H new ATOM 0 HG13 VAL A 2 20.439 -49.266 32.344 1.00 0.00 H new ATOM 0 HG21 VAL A 2 23.005 -49.826 33.862 1.00 0.00 H new ATOM 0 HG22 VAL A 2 22.707 -48.398 32.842 1.00 0.00 H new ATOM 0 HG23 VAL A 2 23.230 -48.192 34.531 1.00 0.00 H new ATOM 24 N ILE A 3 18.751 -47.618 35.784 1.00 0.00 N ATOM 25 CA ILE A 3 17.347 -47.711 36.171 1.00 0.00 C ATOM 26 C ILE A 3 16.648 -46.378 35.963 1.00 0.00 C ATOM 27 O ILE A 3 15.502 -46.322 35.519 1.00 0.00 O ATOM 28 CB ILE A 3 17.195 -48.099 37.654 1.00 0.00 C ATOM 29 CG1 ILE A 3 17.696 -49.526 37.886 1.00 0.00 C ATOM 30 CG2 ILE A 3 15.735 -48.027 38.076 1.00 0.00 C ATOM 31 CD1 ILE A 3 17.814 -49.901 39.347 1.00 0.00 C ATOM 0 H ILE A 3 19.404 -47.720 36.561 1.00 0.00 H new ATOM 0 HA ILE A 3 16.896 -48.481 35.545 1.00 0.00 H new ATOM 0 HB ILE A 3 17.785 -47.398 38.244 1.00 0.00 H new ATOM 0 HG12 ILE A 3 17.018 -50.224 37.395 1.00 0.00 H new ATOM 0 HG13 ILE A 3 18.670 -49.641 37.411 1.00 0.00 H new ATOM 0 HG21 ILE A 3 15.646 -48.304 39.126 1.00 0.00 H new ATOM 0 HG22 ILE A 3 15.366 -47.011 37.936 1.00 0.00 H new ATOM 0 HG23 ILE A 3 15.146 -48.714 37.468 1.00 0.00 H new ATOM 0 HD11 ILE A 3 18.175 -50.926 39.432 1.00 0.00 H new ATOM 0 HD12 ILE A 3 18.515 -49.228 39.840 1.00 0.00 H new ATOM 0 HD13 ILE A 3 16.837 -49.820 39.824 1.00 0.00 H new ATOM 43 N ASP A 4 17.356 -45.301 36.291 1.00 0.00 N ATOM 44 CA ASP A 4 16.827 -43.948 36.151 1.00 0.00 C ATOM 45 C ASP A 4 16.288 -43.729 34.746 1.00 0.00 C ATOM 46 O ASP A 4 15.242 -43.111 34.555 1.00 0.00 O ATOM 47 CB ASP A 4 17.924 -42.914 36.415 1.00 0.00 C ATOM 48 CG ASP A 4 18.316 -42.840 37.877 1.00 0.00 C ATOM 49 OD1 ASP A 4 19.093 -41.932 38.239 1.00 0.00 O ATOM 50 OD2 ASP A 4 17.845 -43.691 38.662 1.00 0.00 O ATOM 0 H ASP A 4 18.306 -45.341 36.659 1.00 0.00 H new ATOM 0 HA ASP A 4 16.023 -43.829 36.878 1.00 0.00 H new ATOM 0 HB2 ASP A 4 18.803 -43.162 35.819 1.00 0.00 H new ATOM 0 HB3 ASP A 4 17.581 -41.934 36.085 1.00 0.00 H new ATOM 56 N THR A 5 17.020 -44.248 33.763 1.00 0.00 N ATOM 57 CA THR A 5 16.639 -44.124 32.359 1.00 0.00 C ATOM 58 C THR A 5 15.866 -45.353 31.908 1.00 0.00 C ATOM 59 O THR A 5 15.430 -45.445 30.762 1.00 0.00 O ATOM 60 CB THR A 5 17.874 -43.980 31.450 1.00 0.00 C ATOM 61 OG1 THR A 5 18.694 -45.150 31.564 1.00 0.00 O ATOM 62 CG2 THR A 5 18.693 -42.764 31.852 1.00 0.00 C ATOM 0 H THR A 5 17.887 -44.763 33.916 1.00 0.00 H new ATOM 0 HA THR A 5 16.020 -43.231 32.275 1.00 0.00 H new ATOM 0 HB THR A 5 17.534 -43.859 30.422 1.00 0.00 H new ATOM 0 HG1 THR A 5 18.356 -45.717 32.289 1.00 0.00 H new ATOM 0 HG21 THR A 5 19.561 -42.678 31.199 1.00 0.00 H new ATOM 0 HG22 THR A 5 18.081 -41.867 31.761 1.00 0.00 H new ATOM 0 HG23 THR A 5 19.025 -42.874 32.884 1.00 0.00 H new ATOM 70 N SER A 6 15.701 -46.299 32.829 1.00 0.00 N ATOM 71 CA SER A 6 14.982 -47.538 32.553 1.00 0.00 C ATOM 72 C SER A 6 13.650 -47.244 31.881 1.00 0.00 C ATOM 73 O SER A 6 13.389 -47.688 30.764 1.00 0.00 O ATOM 74 CB SER A 6 14.710 -48.300 33.851 1.00 0.00 C ATOM 75 OG SER A 6 14.003 -49.502 33.599 1.00 0.00 O ATOM 0 H SER A 6 16.060 -46.229 33.781 1.00 0.00 H new ATOM 0 HA SER A 6 15.604 -48.142 31.892 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.653 -48.527 34.348 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.135 -47.672 34.531 1.00 0.00 H new ATOM 0 HG SER A 6 13.843 -49.971 34.445 1.00 0.00 H new ATOM 81 N ALA A 7 12.809 -46.487 32.580 1.00 0.00 N ATOM 82 CA ALA A 7 11.491 -46.114 32.074 1.00 0.00 C ATOM 83 C ALA A 7 11.620 -45.331 30.777 1.00 0.00 C ATOM 84 O ALA A 7 10.861 -45.537 29.831 1.00 0.00 O ATOM 85 CB ALA A 7 10.759 -45.249 33.088 1.00 0.00 C ATOM 0 H ALA A 7 13.019 -46.117 33.507 1.00 0.00 H new ATOM 0 HA ALA A 7 10.930 -47.032 31.896 1.00 0.00 H new ATOM 0 HB1 ALA A 7 9.778 -44.979 32.696 1.00 0.00 H new ATOM 0 HB2 ALA A 7 10.638 -45.803 34.019 1.00 0.00 H new ATOM 0 HB3 ALA A 7 11.335 -44.343 33.277 1.00 0.00 H new ATOM 91 N VAL A 8 12.596 -44.428 30.746 1.00 0.00 N ATOM 92 CA VAL A 8 12.851 -43.595 29.574 1.00 0.00 C ATOM 93 C VAL A 8 13.254 -44.455 28.388 1.00 0.00 C ATOM 94 O VAL A 8 12.819 -44.228 27.260 1.00 0.00 O ATOM 95 CB VAL A 8 13.985 -42.586 29.835 1.00 0.00 C ATOM 96 CG1 VAL A 8 14.374 -41.877 28.546 1.00 0.00 C ATOM 97 CG2 VAL A 8 13.544 -41.539 30.845 1.00 0.00 C ATOM 0 H VAL A 8 13.229 -44.253 31.527 1.00 0.00 H new ATOM 0 HA VAL A 8 11.927 -43.057 29.360 1.00 0.00 H new ATOM 0 HB VAL A 8 14.839 -43.140 30.225 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.176 -41.168 28.749 1.00 0.00 H new ATOM 0 HG12 VAL A 8 14.714 -42.611 27.816 1.00 0.00 H new ATOM 0 HG13 VAL A 8 13.510 -41.344 28.149 1.00 0.00 H new ATOM 0 HG21 VAL A 8 14.358 -40.834 31.017 1.00 0.00 H new ATOM 0 HG22 VAL A 8 12.676 -41.004 30.459 1.00 0.00 H new ATOM 0 HG23 VAL A 8 13.282 -42.027 31.784 1.00 0.00 H new ATOM 107 N GLU A 9 14.094 -45.451 28.658 1.00 0.00 N ATOM 108 CA GLU A 9 14.576 -46.367 27.628 1.00 0.00 C ATOM 109 C GLU A 9 13.408 -47.046 26.931 1.00 0.00 C ATOM 110 O GLU A 9 13.422 -47.249 25.718 1.00 0.00 O ATOM 111 CB GLU A 9 15.465 -47.448 28.246 1.00 0.00 C ATOM 112 CG GLU A 9 16.070 -48.408 27.234 1.00 0.00 C ATOM 113 CD GLU A 9 16.984 -49.432 27.876 1.00 0.00 C ATOM 114 OE1 GLU A 9 17.143 -49.392 29.114 1.00 0.00 O ATOM 115 OE2 GLU A 9 17.541 -50.275 27.142 1.00 0.00 O ATOM 0 H GLU A 9 14.458 -45.645 29.591 1.00 0.00 H new ATOM 0 HA GLU A 9 15.149 -45.784 26.907 1.00 0.00 H new ATOM 0 HB2 GLU A 9 16.270 -46.967 28.801 1.00 0.00 H new ATOM 0 HB3 GLU A 9 14.878 -48.018 28.966 1.00 0.00 H new ATOM 0 HG2 GLU A 9 15.269 -48.923 26.704 1.00 0.00 H new ATOM 0 HG3 GLU A 9 16.631 -47.841 26.491 1.00 0.00 H new ATOM 123 N SER A 10 12.395 -47.396 27.717 1.00 0.00 N ATOM 124 CA SER A 10 11.199 -48.056 27.201 1.00 0.00 C ATOM 125 C SER A 10 10.245 -47.038 26.600 1.00 0.00 C ATOM 126 O SER A 10 9.743 -47.213 25.491 1.00 0.00 O ATOM 127 CB SER A 10 10.470 -48.797 28.323 1.00 0.00 C ATOM 128 OG SER A 10 11.270 -49.841 28.850 1.00 0.00 O ATOM 0 H SER A 10 12.379 -47.232 28.724 1.00 0.00 H new ATOM 0 HA SER A 10 11.516 -48.763 26.434 1.00 0.00 H new ATOM 0 HB2 SER A 10 10.212 -48.097 29.117 1.00 0.00 H new ATOM 0 HB3 SER A 10 9.534 -49.208 27.943 1.00 0.00 H new ATOM 0 HG SER A 10 10.782 -50.298 29.567 1.00 0.00 H new ATOM 134 N ALA A 11 10.000 -45.967 27.351 1.00 0.00 N ATOM 135 CA ALA A 11 9.106 -44.898 26.916 1.00 0.00 C ATOM 136 C ALA A 11 9.693 -44.166 25.720 1.00 0.00 C ATOM 137 O ALA A 11 8.979 -43.792 24.791 1.00 0.00 O ATOM 138 CB ALA A 11 8.894 -43.894 28.039 1.00 0.00 C ATOM 0 H ALA A 11 10.412 -45.816 28.272 1.00 0.00 H new ATOM 0 HA ALA A 11 8.154 -45.351 26.640 1.00 0.00 H new ATOM 0 HB1 ALA A 11 8.225 -43.103 27.699 1.00 0.00 H new ATOM 0 HB2 ALA A 11 8.452 -44.398 28.899 1.00 0.00 H new ATOM 0 HB3 ALA A 11 9.852 -43.460 28.325 1.00 0.00 H new ATOM 144 N ILE A 12 11.007 -43.967 25.756 1.00 0.00 N ATOM 145 CA ILE A 12 11.722 -43.281 24.685 1.00 0.00 C ATOM 146 C ILE A 12 11.698 -44.110 23.412 1.00 0.00 C ATOM 147 O ILE A 12 11.435 -43.599 22.324 1.00 0.00 O ATOM 148 CB ILE A 12 13.195 -43.031 25.059 1.00 0.00 C ATOM 149 CG1 ILE A 12 13.290 -42.033 26.215 1.00 0.00 C ATOM 150 CG2 ILE A 12 13.958 -42.467 23.871 1.00 0.00 C ATOM 151 CD1 ILE A 12 12.699 -40.677 25.900 1.00 0.00 C ATOM 0 H ILE A 12 11.604 -44.275 26.524 1.00 0.00 H new ATOM 0 HA ILE A 12 11.218 -42.327 24.530 1.00 0.00 H new ATOM 0 HB ILE A 12 13.630 -43.985 25.357 1.00 0.00 H new ATOM 0 HG12 ILE A 12 12.780 -42.448 27.084 1.00 0.00 H new ATOM 0 HG13 ILE A 12 14.337 -41.908 26.490 1.00 0.00 H new ATOM 0 HG21 ILE A 12 14.997 -42.297 24.153 1.00 0.00 H new ATOM 0 HG22 ILE A 12 13.918 -43.176 23.044 1.00 0.00 H new ATOM 0 HG23 ILE A 12 13.506 -41.524 23.563 1.00 0.00 H new ATOM 0 HD11 ILE A 12 12.803 -40.024 26.767 1.00 0.00 H new ATOM 0 HD12 ILE A 12 13.224 -40.240 25.051 1.00 0.00 H new ATOM 0 HD13 ILE A 12 11.643 -40.788 25.655 1.00 0.00 H new ATOM 163 N THR A 13 11.976 -45.402 23.563 1.00 0.00 N ATOM 164 CA THR A 13 11.994 -46.334 22.438 1.00 0.00 C ATOM 165 C THR A 13 10.606 -46.463 21.832 1.00 0.00 C ATOM 166 O THR A 13 10.444 -46.487 20.613 1.00 0.00 O ATOM 167 CB THR A 13 12.452 -47.738 22.875 1.00 0.00 C ATOM 168 OG1 THR A 13 13.791 -47.670 23.383 1.00 0.00 O ATOM 169 CG2 THR A 13 12.420 -48.699 21.697 1.00 0.00 C ATOM 0 H THR A 13 12.194 -45.831 24.462 1.00 0.00 H new ATOM 0 HA THR A 13 12.696 -45.933 21.706 1.00 0.00 H new ATOM 0 HB THR A 13 11.775 -48.098 23.650 1.00 0.00 H new ATOM 0 HG1 THR A 13 13.793 -47.911 24.333 1.00 0.00 H new ATOM 0 HG21 THR A 13 12.747 -49.686 22.024 1.00 0.00 H new ATOM 0 HG22 THR A 13 11.404 -48.763 21.308 1.00 0.00 H new ATOM 0 HG23 THR A 13 13.086 -48.337 20.914 1.00 0.00 H new ATOM 177 N ASP A 14 9.604 -46.547 22.703 1.00 0.00 N ATOM 178 CA ASP A 14 8.213 -46.676 22.281 1.00 0.00 C ATOM 179 C ASP A 14 7.736 -45.393 21.620 1.00 0.00 C ATOM 180 O ASP A 14 7.170 -45.413 20.528 1.00 0.00 O ATOM 181 CB ASP A 14 7.313 -46.964 23.484 1.00 0.00 C ATOM 182 CG ASP A 14 7.505 -48.363 24.034 1.00 0.00 C ATOM 183 OD1 ASP A 14 6.730 -48.762 24.929 1.00 0.00 O ATOM 184 OD2 ASP A 14 8.430 -49.062 23.570 1.00 0.00 O ATOM 0 H ASP A 14 9.732 -46.528 23.715 1.00 0.00 H new ATOM 0 HA ASP A 14 8.156 -47.501 21.571 1.00 0.00 H new ATOM 0 HB2 ASP A 14 7.519 -46.237 24.270 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.271 -46.832 23.193 1.00 0.00 H new ATOM 190 N GLY A 15 7.973 -44.274 22.298 1.00 0.00 N ATOM 191 CA GLY A 15 7.579 -42.961 21.798 1.00 0.00 C ATOM 192 C GLY A 15 8.616 -42.427 20.823 1.00 0.00 C ATOM 193 O GLY A 15 8.358 -42.299 19.627 1.00 0.00 O ATOM 0 H GLY A 15 8.441 -44.251 23.204 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.609 -43.030 21.305 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.464 -42.268 22.631 1.00 0.00 H new ATOM 197 N GLN A 16 9.795 -42.116 21.352 1.00 0.00 N ATOM 198 CA GLN A 16 10.897 -41.593 20.550 1.00 0.00 C ATOM 199 C GLN A 16 11.106 -42.448 19.310 1.00 0.00 C ATOM 200 O GLN A 16 11.104 -41.949 18.186 1.00 0.00 O ATOM 201 CB GLN A 16 12.195 -41.590 21.360 1.00 0.00 C ATOM 202 CG GLN A 16 13.391 -41.020 20.615 1.00 0.00 C ATOM 203 CD GLN A 16 13.224 -39.549 20.287 1.00 0.00 C ATOM 204 OE1 GLN A 16 12.981 -38.729 21.172 1.00 0.00 O ATOM 205 NE2 GLN A 16 13.356 -39.210 19.009 1.00 0.00 N ATOM 0 H GLN A 16 10.014 -42.218 22.343 1.00 0.00 H new ATOM 0 HA GLN A 16 10.641 -40.575 20.258 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.040 -41.013 22.272 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.423 -42.612 21.664 1.00 0.00 H new ATOM 0 HG2 GLN A 16 14.289 -41.155 21.218 1.00 0.00 H new ATOM 0 HG3 GLN A 16 13.540 -41.580 19.692 1.00 0.00 H new ATOM 0 HE21 GLN A 16 13.558 -39.925 18.310 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.256 -38.235 18.727 1.00 0.00 H new ATOM 214 N GLY A 17 11.286 -43.747 19.532 1.00 0.00 N ATOM 215 CA GLY A 17 11.500 -44.700 18.447 1.00 0.00 C ATOM 216 C GLY A 17 10.423 -44.549 17.385 1.00 0.00 C ATOM 217 O GLY A 17 10.711 -44.492 16.191 1.00 0.00 O ATOM 0 H GLY A 17 11.288 -44.166 20.462 1.00 0.00 H new ATOM 0 HA2 GLY A 17 12.482 -44.539 18.003 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.491 -45.716 18.841 1.00 0.00 H new ATOM 221 N ASP A 18 9.174 -44.484 17.838 1.00 0.00 N ATOM 222 CA ASP A 18 8.027 -44.339 16.946 1.00 0.00 C ATOM 223 C ASP A 18 8.190 -43.109 16.067 1.00 0.00 C ATOM 224 O ASP A 18 7.485 -42.939 15.074 1.00 0.00 O ATOM 225 CB ASP A 18 6.736 -44.190 17.753 1.00 0.00 C ATOM 226 CG ASP A 18 6.331 -45.475 18.447 1.00 0.00 C ATOM 227 OD1 ASP A 18 5.117 -45.763 18.503 1.00 0.00 O ATOM 228 OD2 ASP A 18 7.228 -46.194 18.936 1.00 0.00 O ATOM 0 H ASP A 18 8.929 -44.530 18.827 1.00 0.00 H new ATOM 0 HA ASP A 18 7.973 -45.233 16.325 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.866 -43.405 18.498 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.932 -43.871 17.090 1.00 0.00 H new ATOM 234 N MET A 19 9.133 -42.252 16.446 1.00 0.00 N ATOM 235 CA MET A 19 9.414 -41.023 15.709 1.00 0.00 C ATOM 236 C MET A 19 9.938 -41.345 14.319 1.00 0.00 C ATOM 237 O MET A 19 9.549 -40.720 13.333 1.00 0.00 O ATOM 238 CB MET A 19 10.466 -40.188 16.441 1.00 0.00 C ATOM 239 CG MET A 19 10.760 -38.847 15.787 1.00 0.00 C ATOM 240 SD MET A 19 11.993 -37.889 16.688 1.00 0.00 S ATOM 241 CE MET A 19 11.077 -37.463 18.167 1.00 0.00 C ATOM 0 H MET A 19 9.721 -42.388 17.268 1.00 0.00 H new ATOM 0 HA MET A 19 8.483 -40.461 15.633 1.00 0.00 H new ATOM 0 HB2 MET A 19 10.130 -40.015 17.464 1.00 0.00 H new ATOM 0 HB3 MET A 19 11.391 -40.761 16.502 1.00 0.00 H new ATOM 0 HG2 MET A 19 11.109 -39.013 14.768 1.00 0.00 H new ATOM 0 HG3 MET A 19 9.837 -38.271 15.718 1.00 0.00 H new ATOM 0 HE1 MET A 19 11.645 -36.739 18.751 1.00 0.00 H new ATOM 0 HE2 MET A 19 10.117 -37.030 17.888 1.00 0.00 H new ATOM 0 HE3 MET A 19 10.911 -38.360 18.763 1.00 0.00 H new ATOM 251 N LYS A 20 10.828 -42.330 14.254 1.00 0.00 N ATOM 252 CA LYS A 20 11.426 -42.759 12.993 1.00 0.00 C ATOM 253 C LYS A 20 10.347 -43.185 12.010 1.00 0.00 C ATOM 254 O LYS A 20 10.408 -42.870 10.823 1.00 0.00 O ATOM 255 CB LYS A 20 12.367 -43.944 13.222 1.00 0.00 C ATOM 256 CG LYS A 20 13.084 -44.418 11.968 1.00 0.00 C ATOM 257 CD LYS A 20 14.042 -45.557 12.278 1.00 0.00 C ATOM 258 CE LYS A 20 14.748 -46.041 11.022 1.00 0.00 C ATOM 259 NZ LYS A 20 15.699 -47.150 11.311 1.00 0.00 N ATOM 0 H LYS A 20 11.154 -42.851 15.068 1.00 0.00 H new ATOM 0 HA LYS A 20 11.985 -41.916 12.587 1.00 0.00 H new ATOM 0 HB2 LYS A 20 13.110 -43.665 13.969 1.00 0.00 H new ATOM 0 HB3 LYS A 20 11.795 -44.774 13.636 1.00 0.00 H new ATOM 0 HG2 LYS A 20 12.352 -44.746 11.230 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.634 -43.588 11.525 1.00 0.00 H new ATOM 0 HD2 LYS A 20 14.780 -45.226 13.008 1.00 0.00 H new ATOM 0 HD3 LYS A 20 13.494 -46.383 12.731 1.00 0.00 H new ATOM 0 HE2 LYS A 20 14.008 -46.378 10.296 1.00 0.00 H new ATOM 0 HE3 LYS A 20 15.287 -45.211 10.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 16.160 -47.451 10.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 16.421 -46.822 11.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 15.182 -47.953 11.723 1.00 0.00 H new ATOM 273 N ALA A 21 9.355 -43.908 12.523 1.00 0.00 N ATOM 274 CA ALA A 21 8.243 -44.394 11.711 1.00 0.00 C ATOM 275 C ALA A 21 7.372 -43.236 11.253 1.00 0.00 C ATOM 276 O ALA A 21 6.929 -43.188 10.107 1.00 0.00 O ATOM 277 CB ALA A 21 7.381 -45.357 12.514 1.00 0.00 C ATOM 0 H ALA A 21 9.299 -44.172 13.507 1.00 0.00 H new ATOM 0 HA ALA A 21 8.662 -44.906 10.844 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.557 -45.710 11.895 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.985 -46.206 12.833 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.983 -44.845 13.390 1.00 0.00 H new ATOM 283 N ILE A 22 7.133 -42.300 12.168 1.00 0.00 N ATOM 284 CA ILE A 22 6.314 -41.125 11.885 1.00 0.00 C ATOM 285 C ILE A 22 6.974 -40.260 10.823 1.00 0.00 C ATOM 286 O ILE A 22 6.342 -39.859 9.847 1.00 0.00 O ATOM 287 CB ILE A 22 6.114 -40.260 13.143 1.00 0.00 C ATOM 288 CG1 ILE A 22 5.260 -41.004 14.172 1.00 0.00 C ATOM 289 CG2 ILE A 22 5.414 -38.957 12.788 1.00 0.00 C ATOM 290 CD1 ILE A 22 5.218 -40.336 15.529 1.00 0.00 C ATOM 0 H ILE A 22 7.499 -42.334 13.120 1.00 0.00 H new ATOM 0 HA ILE A 22 5.348 -41.489 11.536 1.00 0.00 H new ATOM 0 HB ILE A 22 7.098 -40.048 13.562 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.243 -41.093 13.790 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.647 -42.016 14.288 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.281 -38.358 13.689 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.019 -38.403 12.070 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.440 -39.175 12.350 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.594 -40.922 16.204 1.00 0.00 H new ATOM 0 HD12 ILE A 22 6.228 -40.271 15.934 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.802 -39.334 15.428 1.00 0.00 H new ATOM 302 N GLY A 23 8.257 -39.977 11.027 1.00 0.00 N ATOM 303 CA GLY A 23 9.033 -39.159 10.099 1.00 0.00 C ATOM 304 C GLY A 23 9.198 -39.875 8.768 1.00 0.00 C ATOM 305 O GLY A 23 9.046 -39.280 7.702 1.00 0.00 O ATOM 0 H GLY A 23 8.786 -40.306 11.835 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.535 -38.202 9.944 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.012 -38.943 10.526 1.00 0.00 H new ATOM 309 N GLY A 24 9.513 -41.165 8.845 1.00 0.00 N ATOM 310 CA GLY A 24 9.707 -41.992 7.658 1.00 0.00 C ATOM 311 C GLY A 24 8.392 -42.180 6.919 1.00 0.00 C ATOM 312 O GLY A 24 8.287 -41.901 5.726 1.00 0.00 O ATOM 0 H GLY A 24 9.640 -41.664 9.726 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.438 -41.525 6.998 1.00 0.00 H new ATOM 0 HA3 GLY A 24 10.111 -42.963 7.946 1.00 0.00 H new ATOM 316 N TYR A 25 7.387 -42.659 7.647 1.00 0.00 N ATOM 317 CA TYR A 25 6.061 -42.896 7.085 1.00 0.00 C ATOM 318 C TYR A 25 5.514 -41.625 6.456 1.00 0.00 C ATOM 319 O TYR A 25 4.889 -41.657 5.397 1.00 0.00 O ATOM 320 CB TYR A 25 5.090 -43.352 8.176 1.00 0.00 C ATOM 321 CG TYR A 25 3.685 -43.606 7.679 1.00 0.00 C ATOM 322 CD1 TYR A 25 3.373 -44.774 6.995 1.00 0.00 C ATOM 323 CD2 TYR A 25 2.675 -42.678 7.895 1.00 0.00 C ATOM 324 CE1 TYR A 25 2.092 -45.015 6.536 1.00 0.00 C ATOM 325 CE2 TYR A 25 1.388 -42.902 7.444 1.00 0.00 C ATOM 326 CZ TYR A 25 1.103 -44.082 6.760 1.00 0.00 C ATOM 327 OH TYR A 25 -0.174 -44.320 6.305 1.00 0.00 O ATOM 0 H TYR A 25 7.468 -42.892 8.637 1.00 0.00 H new ATOM 0 HA TYR A 25 6.156 -43.673 6.326 1.00 0.00 H new ATOM 0 HB2 TYR A 25 5.474 -44.265 8.632 1.00 0.00 H new ATOM 0 HB3 TYR A 25 5.056 -42.594 8.959 1.00 0.00 H new ATOM 0 HD1 TYR A 25 4.146 -45.507 6.819 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.899 -41.764 8.425 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.868 -45.928 6.005 1.00 0.00 H new ATOM 0 HE2 TYR A 25 0.612 -42.171 7.620 1.00 0.00 H new ATOM 0 HH TYR A 25 -0.752 -43.566 6.545 1.00 0.00 H new ATOM 337 N ILE A 26 5.759 -40.501 7.124 1.00 0.00 N ATOM 338 CA ILE A 26 5.301 -39.197 6.652 1.00 0.00 C ATOM 339 C ILE A 26 6.151 -38.728 5.482 1.00 0.00 C ATOM 340 O ILE A 26 5.635 -38.244 4.476 1.00 0.00 O ATOM 341 CB ILE A 26 5.391 -38.132 7.761 1.00 0.00 C ATOM 342 CG1 ILE A 26 4.400 -38.446 8.883 1.00 0.00 C ATOM 343 CG2 ILE A 26 5.067 -36.754 7.203 1.00 0.00 C ATOM 344 CD1 ILE A 26 4.590 -37.597 10.121 1.00 0.00 C ATOM 0 H ILE A 26 6.277 -40.468 8.002 1.00 0.00 H new ATOM 0 HA ILE A 26 4.262 -39.317 6.347 1.00 0.00 H new ATOM 0 HB ILE A 26 6.408 -38.142 8.152 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.386 -38.305 8.509 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.496 -39.497 9.156 1.00 0.00 H new ATOM 0 HG21 ILE A 26 5.135 -36.013 8.000 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.777 -36.505 6.414 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.056 -36.755 6.795 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.851 -37.878 10.872 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.592 -37.756 10.521 1.00 0.00 H new ATOM 0 HD13 ILE A 26 4.464 -36.545 9.864 1.00 0.00 H new ATOM 356 N VAL A 27 7.463 -38.878 5.628 1.00 0.00 N ATOM 357 CA VAL A 27 8.415 -38.476 4.595 1.00 0.00 C ATOM 358 C VAL A 27 8.401 -39.469 3.444 1.00 0.00 C ATOM 359 O VAL A 27 8.641 -39.111 2.292 1.00 0.00 O ATOM 360 CB VAL A 27 9.851 -38.410 5.146 1.00 0.00 C ATOM 361 CG1 VAL A 27 10.844 -38.169 4.019 1.00 0.00 C ATOM 362 CG2 VAL A 27 9.984 -37.277 6.153 1.00 0.00 C ATOM 0 H VAL A 27 7.896 -39.279 6.460 1.00 0.00 H new ATOM 0 HA VAL A 27 8.111 -37.487 4.251 1.00 0.00 H new ATOM 0 HB VAL A 27 10.064 -39.363 5.630 1.00 0.00 H new ATOM 0 HG11 VAL A 27 11.854 -38.125 4.427 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.779 -38.983 3.297 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.611 -37.226 3.525 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.005 -37.245 6.532 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.747 -36.330 5.668 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.295 -37.443 6.981 1.00 0.00 H new ATOM 372 N GLY A 28 8.116 -40.726 3.772 1.00 0.00 N ATOM 373 CA GLY A 28 8.065 -41.798 2.783 1.00 0.00 C ATOM 374 C GLY A 28 6.794 -41.697 1.955 1.00 0.00 C ATOM 375 O GLY A 28 6.727 -42.187 0.829 1.00 0.00 O ATOM 0 H GLY A 28 7.915 -41.029 4.725 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.937 -41.741 2.131 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.104 -42.765 3.284 1.00 0.00 H new ATOM 379 N ALA A 29 5.782 -41.053 2.531 1.00 0.00 N ATOM 380 CA ALA A 29 4.495 -40.871 1.869 1.00 0.00 C ATOM 381 C ALA A 29 4.529 -39.649 0.964 1.00 0.00 C ATOM 382 O ALA A 29 3.885 -39.614 -0.083 1.00 0.00 O ATOM 383 CB ALA A 29 3.392 -40.678 2.898 1.00 0.00 C ATOM 0 H ALA A 29 5.831 -40.645 3.465 1.00 0.00 H new ATOM 0 HA ALA A 29 4.296 -41.764 1.276 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.438 -40.544 2.388 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.338 -41.555 3.543 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.608 -39.797 3.502 1.00 0.00 H new ATOM 389 N LEU A 30 5.293 -38.645 1.385 1.00 0.00 N ATOM 390 CA LEU A 30 5.432 -37.402 0.630 1.00 0.00 C ATOM 391 C LEU A 30 5.897 -37.691 -0.788 1.00 0.00 C ATOM 392 O LEU A 30 5.567 -36.966 -1.725 1.00 0.00 O ATOM 393 CB LEU A 30 6.456 -36.482 1.297 1.00 0.00 C ATOM 394 CG LEU A 30 6.039 -35.857 2.631 1.00 0.00 C ATOM 395 CD1 LEU A 30 7.191 -35.074 3.241 1.00 0.00 C ATOM 396 CD2 LEU A 30 4.868 -34.907 2.436 1.00 0.00 C ATOM 0 H LEU A 30 5.830 -38.668 2.252 1.00 0.00 H new ATOM 0 HA LEU A 30 4.457 -36.915 0.608 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.373 -37.050 1.457 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.696 -35.677 0.602 1.00 0.00 H new ATOM 0 HG LEU A 30 5.750 -36.671 3.296 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.873 -34.638 4.188 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.034 -35.743 3.414 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.492 -34.279 2.559 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.587 -34.474 3.396 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.156 -34.111 1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.020 -35.454 2.023 1.00 0.00 H new ATOM 408 N VAL A 31 6.671 -38.762 -0.933 1.00 0.00 N ATOM 409 CA VAL A 31 7.199 -39.174 -2.231 1.00 0.00 C ATOM 410 C VAL A 31 6.070 -39.350 -3.233 1.00 0.00 C ATOM 411 O VAL A 31 6.222 -39.062 -4.419 1.00 0.00 O ATOM 412 CB VAL A 31 7.958 -40.510 -2.133 1.00 0.00 C ATOM 413 CG1 VAL A 31 8.299 -41.032 -3.521 1.00 0.00 C ATOM 414 CG2 VAL A 31 9.253 -40.332 -1.356 1.00 0.00 C ATOM 0 H VAL A 31 6.949 -39.366 -0.160 1.00 0.00 H new ATOM 0 HA VAL A 31 7.882 -38.390 -2.558 1.00 0.00 H new ATOM 0 HB VAL A 31 7.312 -41.221 -1.618 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.835 -41.977 -3.433 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.381 -41.187 -4.087 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.926 -40.306 -4.039 1.00 0.00 H new ATOM 0 HG21 VAL A 31 9.776 -41.287 -1.297 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.885 -39.603 -1.864 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.028 -39.979 -0.350 1.00 0.00 H new ATOM 424 N ILE A 32 4.932 -39.827 -2.739 1.00 0.00 N ATOM 425 CA ILE A 32 3.753 -40.053 -3.572 1.00 0.00 C ATOM 426 C ILE A 32 3.221 -38.735 -4.110 1.00 0.00 C ATOM 427 O ILE A 32 2.847 -38.628 -5.277 1.00 0.00 O ATOM 428 CB ILE A 32 2.622 -40.731 -2.777 1.00 0.00 C ATOM 429 CG1 ILE A 32 3.025 -42.153 -2.383 1.00 0.00 C ATOM 430 CG2 ILE A 32 1.353 -40.804 -3.613 1.00 0.00 C ATOM 431 CD1 ILE A 32 2.082 -42.804 -1.395 1.00 0.00 C ATOM 0 H ILE A 32 4.800 -40.067 -1.756 1.00 0.00 H new ATOM 0 HA ILE A 32 4.063 -40.703 -4.390 1.00 0.00 H new ATOM 0 HB ILE A 32 2.441 -40.136 -1.882 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.076 -42.768 -3.281 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.027 -42.131 -1.954 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.564 -41.286 -3.036 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.039 -39.797 -3.886 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.546 -41.382 -4.517 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.434 -43.810 -1.164 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.049 -42.213 -0.480 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.083 -42.860 -1.828 1.00 0.00 H new ATOM 443 N LEU A 33 3.193 -37.729 -3.240 1.00 0.00 N ATOM 444 CA LEU A 33 2.709 -36.399 -3.601 1.00 0.00 C ATOM 445 C LEU A 33 3.578 -35.796 -4.692 1.00 0.00 C ATOM 446 O LEU A 33 3.079 -35.282 -5.692 1.00 0.00 O ATOM 447 CB LEU A 33 2.742 -35.469 -2.387 1.00 0.00 C ATOM 448 CG LEU A 33 1.700 -35.738 -1.299 1.00 0.00 C ATOM 449 CD1 LEU A 33 1.926 -34.828 -0.101 1.00 0.00 C ATOM 450 CD2 LEU A 33 0.295 -35.488 -1.826 1.00 0.00 C ATOM 0 H LEU A 33 3.503 -37.811 -2.272 1.00 0.00 H new ATOM 0 HA LEU A 33 1.685 -36.503 -3.959 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.732 -35.531 -1.935 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.615 -34.445 -2.737 1.00 0.00 H new ATOM 0 HG LEU A 33 1.805 -36.781 -0.999 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.174 -35.036 0.661 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.919 -35.008 0.311 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.847 -33.787 -0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.430 -35.685 -1.036 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.207 -34.451 -2.149 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.100 -36.149 -2.671 1.00 0.00 H new ATOM 462 N ALA A 34 4.890 -35.865 -4.486 1.00 0.00 N ATOM 463 CA ALA A 34 5.858 -35.330 -5.440 1.00 0.00 C ATOM 464 C ALA A 34 5.696 -36.000 -6.795 1.00 0.00 C ATOM 465 O ALA A 34 5.767 -35.351 -7.838 1.00 0.00 O ATOM 466 CB ALA A 34 7.277 -35.573 -4.949 1.00 0.00 C ATOM 0 H ALA A 34 5.310 -36.290 -3.660 1.00 0.00 H new ATOM 0 HA ALA A 34 5.677 -34.259 -5.534 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.986 -35.168 -5.671 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.418 -35.081 -3.987 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.445 -36.644 -4.837 1.00 0.00 H new ATOM 472 N VAL A 35 5.476 -37.311 -6.766 1.00 0.00 N ATOM 473 CA VAL A 35 5.298 -38.099 -7.982 1.00 0.00 C ATOM 474 C VAL A 35 4.167 -37.533 -8.823 1.00 0.00 C ATOM 475 O VAL A 35 4.278 -37.413 -10.042 1.00 0.00 O ATOM 476 CB VAL A 35 4.959 -39.566 -7.659 1.00 0.00 C ATOM 477 CG1 VAL A 35 4.574 -40.315 -8.926 1.00 0.00 C ATOM 478 CG2 VAL A 35 6.156 -40.264 -7.033 1.00 0.00 C ATOM 0 H VAL A 35 5.416 -37.855 -5.905 1.00 0.00 H new ATOM 0 HA VAL A 35 6.240 -38.054 -8.528 1.00 0.00 H new ATOM 0 HB VAL A 35 4.123 -39.567 -6.960 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.338 -41.350 -8.679 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.702 -39.842 -9.378 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.406 -40.291 -9.630 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.898 -41.300 -6.811 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.996 -40.240 -7.728 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.433 -39.754 -6.111 1.00 0.00 H new ATOM 488 N ALA A 36 3.072 -37.185 -8.153 1.00 0.00 N ATOM 489 CA ALA A 36 1.897 -36.625 -8.815 1.00 0.00 C ATOM 490 C ALA A 36 2.225 -35.274 -9.429 1.00 0.00 C ATOM 491 O ALA A 36 1.880 -34.997 -10.577 1.00 0.00 O ATOM 492 CB ALA A 36 0.765 -36.438 -7.817 1.00 0.00 C ATOM 0 H ALA A 36 2.974 -37.282 -7.142 1.00 0.00 H new ATOM 0 HA ALA A 36 1.591 -37.321 -9.596 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.103 -36.020 -8.326 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.501 -37.402 -7.381 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.085 -35.758 -7.027 1.00 0.00 H new ATOM 498 N GLY A 37 2.898 -34.435 -8.647 1.00 0.00 N ATOM 499 CA GLY A 37 3.288 -33.100 -9.088 1.00 0.00 C ATOM 500 C GLY A 37 3.967 -33.166 -10.447 1.00 0.00 C ATOM 501 O GLY A 37 3.505 -32.570 -11.419 1.00 0.00 O ATOM 0 H GLY A 37 3.187 -34.660 -7.695 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.409 -32.458 -9.145 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.963 -32.652 -8.359 1.00 0.00 H new ATOM 505 N LEU A 38 5.073 -33.901 -10.501 1.00 0.00 N ATOM 506 CA LEU A 38 5.842 -34.066 -11.732 1.00 0.00 C ATOM 507 C LEU A 38 4.987 -34.708 -12.811 1.00 0.00 C ATOM 508 O LEU A 38 5.059 -34.341 -13.982 1.00 0.00 O ATOM 509 CB LEU A 38 7.061 -34.957 -11.487 1.00 0.00 C ATOM 510 CG LEU A 38 8.186 -34.351 -10.646 1.00 0.00 C ATOM 511 CD1 LEU A 38 9.271 -35.382 -10.375 1.00 0.00 C ATOM 512 CD2 LEU A 38 8.821 -33.172 -11.367 1.00 0.00 C ATOM 0 H LEU A 38 5.461 -34.397 -9.698 1.00 0.00 H new ATOM 0 HA LEU A 38 6.166 -33.077 -12.056 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.724 -35.871 -10.999 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.474 -35.245 -12.454 1.00 0.00 H new ATOM 0 HG LEU A 38 7.746 -34.019 -9.706 1.00 0.00 H new ATOM 0 HD11 LEU A 38 10.061 -34.930 -9.776 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.844 -36.227 -9.834 1.00 0.00 H new ATOM 0 HD13 LEU A 38 9.687 -35.730 -11.321 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.619 -32.756 -10.752 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.234 -33.507 -12.318 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.066 -32.407 -11.548 1.00 0.00 H new ATOM 524 N ILE A 39 4.174 -35.677 -12.400 1.00 0.00 N ATOM 525 CA ILE A 39 3.288 -36.392 -13.313 1.00 0.00 C ATOM 526 C ILE A 39 2.345 -35.425 -14.008 1.00 0.00 C ATOM 527 O ILE A 39 2.126 -35.507 -15.216 1.00 0.00 O ATOM 528 CB ILE A 39 2.432 -37.434 -12.569 1.00 0.00 C ATOM 529 CG1 ILE A 39 3.314 -38.563 -12.033 1.00 0.00 C ATOM 530 CG2 ILE A 39 1.394 -38.035 -13.503 1.00 0.00 C ATOM 531 CD1 ILE A 39 4.059 -39.321 -13.110 1.00 0.00 C ATOM 0 H ILE A 39 4.111 -35.987 -11.430 1.00 0.00 H new ATOM 0 HA ILE A 39 3.925 -36.895 -14.041 1.00 0.00 H new ATOM 0 HB ILE A 39 1.934 -36.928 -11.742 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.035 -38.145 -11.331 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.693 -39.262 -11.474 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.798 -38.769 -12.961 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.743 -37.246 -13.879 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.896 -38.521 -14.340 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.662 -40.105 -12.652 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.344 -39.770 -13.800 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.708 -38.635 -13.655 1.00 0.00 H new ATOM 543 N TYR A 40 1.787 -34.505 -13.226 1.00 0.00 N ATOM 544 CA TYR A 40 0.858 -33.502 -13.741 1.00 0.00 C ATOM 545 C TYR A 40 1.584 -32.517 -14.642 1.00 0.00 C ATOM 546 O TYR A 40 1.080 -32.127 -15.694 1.00 0.00 O ATOM 547 CB TYR A 40 0.218 -32.723 -12.590 1.00 0.00 C ATOM 548 CG TYR A 40 -0.780 -31.679 -13.037 1.00 0.00 C ATOM 549 CD1 TYR A 40 -2.063 -32.043 -13.428 1.00 0.00 C ATOM 550 CD2 TYR A 40 -0.437 -30.334 -13.067 1.00 0.00 C ATOM 551 CE1 TYR A 40 -2.981 -31.095 -13.838 1.00 0.00 C ATOM 552 CE2 TYR A 40 -1.342 -29.372 -13.474 1.00 0.00 C ATOM 553 CZ TYR A 40 -2.623 -29.765 -13.861 1.00 0.00 C ATOM 554 OH TYR A 40 -3.536 -28.819 -14.269 1.00 0.00 O ATOM 0 H TYR A 40 1.964 -34.433 -12.224 1.00 0.00 H new ATOM 0 HA TYR A 40 0.087 -34.024 -14.308 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.280 -33.425 -11.922 1.00 0.00 H new ATOM 0 HB3 TYR A 40 1.004 -32.236 -12.012 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.347 -33.085 -13.411 1.00 0.00 H new ATOM 0 HD2 TYR A 40 0.556 -30.034 -12.767 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.974 -31.395 -14.139 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -1.061 -28.329 -13.492 1.00 0.00 H new ATOM 0 HH TYR A 40 -3.127 -27.930 -14.226 1.00 0.00 H new ATOM 564 N SER A 41 2.779 -32.118 -14.214 1.00 0.00 N ATOM 565 CA SER A 41 3.601 -31.175 -14.965 1.00 0.00 C ATOM 566 C SER A 41 3.924 -31.729 -16.343 1.00 0.00 C ATOM 567 O SER A 41 3.747 -31.056 -17.357 1.00 0.00 O ATOM 568 CB SER A 41 4.917 -30.908 -14.231 1.00 0.00 C ATOM 569 OG SER A 41 4.689 -30.240 -13.002 1.00 0.00 O ATOM 0 H SER A 41 3.202 -32.437 -13.342 1.00 0.00 H new ATOM 0 HA SER A 41 3.036 -30.248 -15.062 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.432 -31.851 -14.046 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.572 -30.305 -14.860 1.00 0.00 H new ATOM 0 HG SER A 41 4.310 -30.869 -12.353 1.00 0.00 H new ATOM 575 N MET A 42 4.403 -32.970 -16.365 1.00 0.00 N ATOM 576 CA MET A 42 4.761 -33.645 -17.609 1.00 0.00 C ATOM 577 C MET A 42 3.533 -33.842 -18.482 1.00 0.00 C ATOM 578 O MET A 42 3.581 -33.661 -19.698 1.00 0.00 O ATOM 579 CB MET A 42 5.371 -35.017 -17.318 1.00 0.00 C ATOM 580 CG MET A 42 5.852 -35.758 -18.555 1.00 0.00 C ATOM 581 SD MET A 42 6.592 -37.356 -18.165 1.00 0.00 S ATOM 582 CE MET A 42 5.145 -38.287 -17.668 1.00 0.00 C ATOM 0 H MET A 42 4.553 -33.533 -15.527 1.00 0.00 H new ATOM 0 HA MET A 42 5.487 -33.019 -18.128 1.00 0.00 H new ATOM 0 HB2 MET A 42 6.210 -34.892 -16.634 1.00 0.00 H new ATOM 0 HB3 MET A 42 4.630 -35.631 -16.805 1.00 0.00 H new ATOM 0 HG2 MET A 42 5.012 -35.907 -19.234 1.00 0.00 H new ATOM 0 HG3 MET A 42 6.582 -35.143 -19.081 1.00 0.00 H new ATOM 0 HE1 MET A 42 5.394 -39.347 -17.619 1.00 0.00 H new ATOM 0 HE2 MET A 42 4.812 -37.946 -16.687 1.00 0.00 H new ATOM 0 HE3 MET A 42 4.347 -38.135 -18.395 1.00 0.00 H new ATOM 592 N LEU A 43 2.428 -34.216 -17.843 1.00 0.00 N ATOM 593 CA LEU A 43 1.165 -34.446 -18.537 1.00 0.00 C ATOM 594 C LEU A 43 0.524 -33.124 -18.928 1.00 0.00 C ATOM 595 O LEU A 43 -0.030 -32.983 -20.017 1.00 0.00 O ATOM 596 CB LEU A 43 0.190 -35.209 -17.637 1.00 0.00 C ATOM 597 CG LEU A 43 0.529 -36.675 -17.360 1.00 0.00 C ATOM 598 CD1 LEU A 43 -0.446 -37.271 -16.357 1.00 0.00 C ATOM 599 CD2 LEU A 43 0.455 -37.494 -18.640 1.00 0.00 C ATOM 0 H LEU A 43 2.383 -34.367 -16.835 1.00 0.00 H new ATOM 0 HA LEU A 43 1.379 -35.032 -19.431 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.125 -34.687 -16.683 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.800 -35.167 -18.092 1.00 0.00 H new ATOM 0 HG LEU A 43 1.541 -36.706 -16.957 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.187 -38.314 -16.174 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.392 -36.714 -15.422 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.459 -37.213 -16.756 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.699 -38.534 -18.421 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.553 -37.437 -19.051 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.166 -37.099 -19.366 1.00 0.00 H new ATOM 611 N ARG A 44 0.607 -32.154 -18.022 1.00 0.00 N ATOM 612 CA ARG A 44 0.042 -30.827 -18.245 1.00 0.00 C ATOM 613 C ARG A 44 0.995 -29.974 -19.066 1.00 0.00 C ATOM 614 O ARG A 44 0.574 -29.136 -19.862 1.00 0.00 O ATOM 615 CB ARG A 44 -0.212 -30.122 -16.911 1.00 0.00 C ATOM 616 CG ARG A 44 -0.886 -28.766 -17.045 1.00 0.00 C ATOM 617 CD ARG A 44 -2.305 -28.904 -17.569 1.00 0.00 C ATOM 618 NE ARG A 44 -2.974 -27.610 -17.688 1.00 0.00 N ATOM 619 CZ ARG A 44 -4.153 -27.430 -18.273 1.00 0.00 C ATOM 620 NH1 ARG A 44 -4.799 -28.463 -18.796 1.00 0.00 N ATOM 621 NH2 ARG A 44 -4.684 -26.216 -18.334 1.00 0.00 N ATOM 0 H ARG A 44 1.065 -32.265 -17.117 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.898 -30.952 -18.782 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.832 -30.764 -16.285 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.738 -29.994 -16.393 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.901 -28.268 -16.076 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.307 -28.135 -17.719 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.286 -29.393 -18.543 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.877 -29.548 -16.901 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.506 -26.793 -17.297 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.391 -29.397 -18.749 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.704 -28.324 -19.245 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.187 -25.421 -17.932 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.589 -26.077 -18.783 1.00 0.00 H new ATOM 635 N LYS A 45 2.290 -30.199 -18.860 1.00 0.00 N ATOM 636 CA LYS A 45 3.332 -29.463 -19.570 1.00 0.00 C ATOM 637 C LYS A 45 3.422 -29.927 -21.014 1.00 0.00 C ATOM 638 O LYS A 45 3.485 -29.119 -21.939 1.00 0.00 O ATOM 639 CB LYS A 45 4.692 -29.685 -18.905 1.00 0.00 C ATOM 640 CG LYS A 45 5.831 -28.911 -19.550 1.00 0.00 C ATOM 641 CD LYS A 45 7.139 -29.133 -18.807 1.00 0.00 C ATOM 642 CE LYS A 45 8.281 -28.371 -19.460 1.00 0.00 C ATOM 643 NZ LYS A 45 9.566 -28.570 -18.736 1.00 0.00 N ATOM 0 H LYS A 45 2.645 -30.892 -18.201 1.00 0.00 H new ATOM 0 HA LYS A 45 3.072 -28.405 -19.537 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.622 -29.400 -17.855 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.929 -30.749 -18.932 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.943 -29.222 -20.589 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.592 -27.848 -19.560 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.030 -28.812 -17.771 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.373 -30.197 -18.788 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.392 -28.699 -20.494 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.040 -27.308 -19.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.319 -28.034 -19.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.468 -28.234 -17.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.809 -29.581 -18.732 1.00 0.00 H new ATOM 657 N ALA A 46 3.427 -31.245 -21.195 1.00 0.00 N ATOM 658 CA ALA A 46 3.508 -31.850 -22.521 1.00 0.00 C ATOM 659 C ALA A 46 3.490 -33.366 -22.398 1.00 0.00 C ATOM 660 O ALA A 46 3.416 -33.902 -21.294 1.00 0.00 O ATOM 661 CB ALA A 46 4.781 -31.378 -23.217 1.00 0.00 C ATOM 0 H ALA A 46 3.375 -31.920 -20.432 1.00 0.00 H new ATOM 0 HA ALA A 46 2.649 -31.544 -23.118 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.843 -31.829 -24.207 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.762 -30.292 -23.313 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.649 -31.675 -22.628 1.00 0.00 H new