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= -2.04 K(o=-3.4,f=-1.1) USER MOD Set 1.2: A 19 MET CE :methyl -175:sc= -1.4 (180deg=-0.319) USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.174 (180deg=-0.671) USER MOD Single : A 5 THR OG1 : rot -11:sc= 0.268 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 62:sc= 0.932 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= 0.294 USER MOD Single : A 42 MET CE :methyl 166:sc=-0.00738 (180deg=-0.237) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.459 1.271 103.172 1.00 0.00 N ATOM 2 CA GLY A 1 22.864 1.623 103.215 1.00 0.00 C ATOM 3 C GLY A 1 23.609 0.930 102.085 1.00 0.00 C ATOM 4 O GLY A 1 23.017 0.195 101.298 1.00 0.00 O ATOM 0 H1 GLY A 1 20.883 2.133 103.253 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.248 0.796 102.271 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.237 0.631 103.961 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.979 2.703 103.129 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.291 1.332 104.175 1.00 0.00 H new ATOM 8 N VAL A 2 24.915 1.178 102.020 1.00 0.00 N ATOM 9 CA VAL A 2 25.770 0.590 100.994 1.00 0.00 C ATOM 10 C VAL A 2 25.929 -0.904 101.225 1.00 0.00 C ATOM 11 O VAL A 2 25.854 -1.703 100.293 1.00 0.00 O ATOM 12 CB VAL A 2 27.174 1.222 101.000 1.00 0.00 C ATOM 13 CG1 VAL A 2 28.100 0.470 100.055 1.00 0.00 C ATOM 14 CG2 VAL A 2 27.107 2.674 100.552 1.00 0.00 C ATOM 0 H VAL A 2 25.407 1.788 102.673 1.00 0.00 H new ATOM 0 HA VAL A 2 25.289 0.779 100.034 1.00 0.00 H new ATOM 0 HB VAL A 2 27.559 1.167 102.018 1.00 0.00 H new ATOM 0 HG11 VAL A 2 29.088 0.930 100.071 1.00 0.00 H new ATOM 0 HG12 VAL A 2 28.178 -0.570 100.373 1.00 0.00 H new ATOM 0 HG13 VAL A 2 27.698 0.510 99.043 1.00 0.00 H new ATOM 0 HG21 VAL A 2 28.108 3.105 100.562 1.00 0.00 H new ATOM 0 HG22 VAL A 2 26.701 2.725 99.542 1.00 0.00 H new ATOM 0 HG23 VAL A 2 26.464 3.235 101.230 1.00 0.00 H new ATOM 24 N ILE A 3 26.152 -1.270 102.484 1.00 0.00 N ATOM 25 CA ILE A 3 26.326 -2.666 102.871 1.00 0.00 C ATOM 26 C ILE A 3 25.036 -3.442 102.663 1.00 0.00 C ATOM 27 O ILE A 3 25.047 -4.589 102.219 1.00 0.00 O ATOM 28 CB ILE A 3 26.722 -2.796 104.354 1.00 0.00 C ATOM 29 CG1 ILE A 3 28.117 -2.212 104.586 1.00 0.00 C ATOM 30 CG2 ILE A 3 26.734 -4.257 104.776 1.00 0.00 C ATOM 31 CD1 ILE A 3 28.485 -2.073 106.047 1.00 0.00 C ATOM 0 H ILE A 3 26.217 -0.612 103.260 1.00 0.00 H new ATOM 0 HA ILE A 3 27.121 -3.070 102.244 1.00 0.00 H new ATOM 0 HB ILE A 3 25.988 -2.248 104.945 1.00 0.00 H new ATOM 0 HG12 ILE A 3 28.853 -2.848 104.094 1.00 0.00 H new ATOM 0 HG13 ILE A 3 28.174 -1.232 104.112 1.00 0.00 H new ATOM 0 HG21 ILE A 3 27.016 -4.330 105.826 1.00 0.00 H new ATOM 0 HG22 ILE A 3 25.741 -4.684 104.636 1.00 0.00 H new ATOM 0 HG23 ILE A 3 27.454 -4.805 104.168 1.00 0.00 H new ATOM 0 HD11 ILE A 3 29.487 -1.653 106.131 1.00 0.00 H new ATOM 0 HD12 ILE A 3 27.772 -1.413 106.541 1.00 0.00 H new ATOM 0 HD13 ILE A 3 28.462 -3.053 106.523 1.00 0.00 H new ATOM 43 N ASP A 4 23.919 -2.798 102.991 1.00 0.00 N ATOM 44 CA ASP A 4 22.600 -3.404 102.851 1.00 0.00 C ATOM 45 C ASP A 4 22.413 -3.955 101.446 1.00 0.00 C ATOM 46 O ASP A 4 21.856 -5.035 101.255 1.00 0.00 O ATOM 47 CB ASP A 4 21.504 -2.369 103.114 1.00 0.00 C ATOM 48 CG ASP A 4 21.408 -1.982 104.577 1.00 0.00 C ATOM 49 OD1 ASP A 4 20.456 -1.258 104.938 1.00 0.00 O ATOM 50 OD2 ASP A 4 22.284 -2.402 105.361 1.00 0.00 O ATOM 0 H ASP A 4 23.903 -1.847 103.359 1.00 0.00 H new ATOM 0 HA ASP A 4 22.528 -4.213 103.578 1.00 0.00 H new ATOM 0 HB2 ASP A 4 21.700 -1.478 102.518 1.00 0.00 H new ATOM 0 HB3 ASP A 4 20.545 -2.768 102.784 1.00 0.00 H new ATOM 56 N THR A 5 22.888 -3.195 100.463 1.00 0.00 N ATOM 57 CA THR A 5 22.787 -3.582 99.059 1.00 0.00 C ATOM 58 C THR A 5 24.058 -4.282 98.608 1.00 0.00 C ATOM 59 O THR A 5 24.176 -4.712 97.462 1.00 0.00 O ATOM 60 CB THR A 5 22.572 -2.358 98.150 1.00 0.00 C ATOM 61 OG1 THR A 5 23.693 -1.471 98.265 1.00 0.00 O ATOM 62 CG2 THR A 5 21.310 -1.610 98.552 1.00 0.00 C ATOM 0 H THR A 5 23.351 -2.299 100.616 1.00 0.00 H new ATOM 0 HA THR A 5 21.931 -4.252 98.976 1.00 0.00 H new ATOM 0 HB THR A 5 22.471 -2.705 97.122 1.00 0.00 H new ATOM 0 HG1 THR A 5 24.253 -1.748 99.020 1.00 0.00 H new ATOM 0 HG21 THR A 5 21.174 -0.748 97.899 1.00 0.00 H new ATOM 0 HG22 THR A 5 20.450 -2.273 98.461 1.00 0.00 H new ATOM 0 HG23 THR A 5 21.401 -1.272 99.584 1.00 0.00 H new ATOM 70 N SER A 6 25.012 -4.392 99.529 1.00 0.00 N ATOM 71 CA SER A 6 26.292 -5.038 99.253 1.00 0.00 C ATOM 72 C SER A 6 26.075 -6.384 98.581 1.00 0.00 C ATOM 73 O SER A 6 26.533 -6.619 97.464 1.00 0.00 O ATOM 74 CB SER A 6 27.068 -5.265 100.552 1.00 0.00 C ATOM 75 OG SER A 6 28.310 -5.901 100.299 1.00 0.00 O ATOM 0 H SER A 6 24.921 -4.038 100.481 1.00 0.00 H new ATOM 0 HA SER A 6 26.860 -4.383 98.593 1.00 0.00 H new ATOM 0 HB2 SER A 6 27.239 -4.310 101.049 1.00 0.00 H new ATOM 0 HB3 SER A 6 26.475 -5.876 101.232 1.00 0.00 H new ATOM 0 HG SER A 6 28.788 -6.034 101.144 1.00 0.00 H new ATOM 81 N ALA A 7 25.368 -7.268 99.280 1.00 0.00 N ATOM 82 CA ALA A 7 25.072 -8.605 98.774 1.00 0.00 C ATOM 83 C ALA A 7 24.283 -8.522 97.477 1.00 0.00 C ATOM 84 O ALA A 7 24.533 -9.268 96.531 1.00 0.00 O ATOM 85 CB ALA A 7 24.250 -9.386 99.788 1.00 0.00 C ATOM 0 H ALA A 7 24.986 -7.080 100.207 1.00 0.00 H new ATOM 0 HA ALA A 7 26.021 -9.111 98.597 1.00 0.00 H new ATOM 0 HB1 ALA A 7 24.038 -10.381 99.396 1.00 0.00 H new ATOM 0 HB2 ALA A 7 24.810 -9.475 100.719 1.00 0.00 H new ATOM 0 HB3 ALA A 7 23.313 -8.863 99.977 1.00 0.00 H new ATOM 91 N VAL A 8 23.325 -7.600 97.446 1.00 0.00 N ATOM 92 CA VAL A 8 22.479 -7.394 96.274 1.00 0.00 C ATOM 93 C VAL A 8 23.314 -6.942 95.088 1.00 0.00 C ATOM 94 O VAL A 8 23.112 -7.389 93.960 1.00 0.00 O ATOM 95 CB VAL A 8 21.406 -6.320 96.534 1.00 0.00 C ATOM 96 CG1 VAL A 8 20.676 -5.974 95.246 1.00 0.00 C ATOM 97 CG2 VAL A 8 20.385 -6.821 97.545 1.00 0.00 C ATOM 0 H VAL A 8 23.114 -6.978 98.227 1.00 0.00 H new ATOM 0 HA VAL A 8 21.996 -8.348 96.061 1.00 0.00 H new ATOM 0 HB VAL A 8 21.909 -5.435 96.923 1.00 0.00 H new ATOM 0 HG11 VAL A 8 19.922 -5.214 95.448 1.00 0.00 H new ATOM 0 HG12 VAL A 8 21.389 -5.592 94.515 1.00 0.00 H new ATOM 0 HG13 VAL A 8 20.194 -6.868 94.850 1.00 0.00 H new ATOM 0 HG21 VAL A 8 19.634 -6.050 97.717 1.00 0.00 H new ATOM 0 HG22 VAL A 8 19.901 -7.718 97.159 1.00 0.00 H new ATOM 0 HG23 VAL A 8 20.887 -7.054 98.484 1.00 0.00 H new ATOM 107 N GLU A 9 24.259 -6.045 95.358 1.00 0.00 N ATOM 108 CA GLU A 9 25.146 -5.511 94.328 1.00 0.00 C ATOM 109 C GLU A 9 25.892 -6.637 93.631 1.00 0.00 C ATOM 110 O GLU A 9 26.093 -6.612 92.418 1.00 0.00 O ATOM 111 CB GLU A 9 26.173 -4.561 94.946 1.00 0.00 C ATOM 112 CG GLU A 9 27.097 -3.902 93.934 1.00 0.00 C ATOM 113 CD GLU A 9 28.067 -2.930 94.577 1.00 0.00 C ATOM 114 OE1 GLU A 9 28.017 -2.773 95.815 1.00 0.00 O ATOM 115 OE2 GLU A 9 28.876 -2.325 93.842 1.00 0.00 O ATOM 0 H GLU A 9 24.431 -5.670 96.291 1.00 0.00 H new ATOM 0 HA GLU A 9 24.531 -4.973 93.607 1.00 0.00 H new ATOM 0 HB2 GLU A 9 25.646 -3.784 95.500 1.00 0.00 H new ATOM 0 HB3 GLU A 9 26.776 -5.114 95.666 1.00 0.00 H new ATOM 0 HG2 GLU A 9 27.658 -4.672 93.404 1.00 0.00 H new ATOM 0 HG3 GLU A 9 26.499 -3.375 93.191 1.00 0.00 H new ATOM 123 N SER A 10 26.300 -7.629 94.417 1.00 0.00 N ATOM 124 CA SER A 10 27.028 -8.784 93.901 1.00 0.00 C ATOM 125 C SER A 10 26.067 -9.796 93.300 1.00 0.00 C ATOM 126 O SER A 10 26.272 -10.287 92.191 1.00 0.00 O ATOM 127 CB SER A 10 27.811 -9.469 95.023 1.00 0.00 C ATOM 128 OG SER A 10 28.806 -8.609 95.549 1.00 0.00 O ATOM 0 H SER A 10 26.137 -7.655 95.423 1.00 0.00 H new ATOM 0 HA SER A 10 27.715 -8.426 93.134 1.00 0.00 H new ATOM 0 HB2 SER A 10 27.127 -9.768 95.818 1.00 0.00 H new ATOM 0 HB3 SER A 10 28.276 -10.379 94.643 1.00 0.00 H new ATOM 0 HG SER A 10 29.291 -9.069 96.265 1.00 0.00 H new ATOM 134 N ALA A 11 25.012 -10.102 94.051 1.00 0.00 N ATOM 135 CA ALA A 11 23.997 -11.057 93.616 1.00 0.00 C ATOM 136 C ALA A 11 23.232 -10.514 92.420 1.00 0.00 C ATOM 137 O ALA A 11 22.900 -11.248 91.491 1.00 0.00 O ATOM 138 CB ALA A 11 23.007 -11.327 94.739 1.00 0.00 C ATOM 0 H ALA A 11 24.837 -9.698 94.971 1.00 0.00 H new ATOM 0 HA ALA A 11 24.505 -11.981 93.340 1.00 0.00 H new ATOM 0 HB1 ALA A 11 22.257 -12.041 94.399 1.00 0.00 H new ATOM 0 HB2 ALA A 11 23.536 -11.738 95.599 1.00 0.00 H new ATOM 0 HB3 ALA A 11 22.518 -10.396 95.025 1.00 0.00 H new ATOM 144 N ILE A 12 22.957 -9.213 92.456 1.00 0.00 N ATOM 145 CA ILE A 12 22.231 -8.539 91.385 1.00 0.00 C ATOM 146 C ILE A 12 23.060 -8.516 90.112 1.00 0.00 C ATOM 147 O ILE A 12 22.565 -8.807 89.024 1.00 0.00 O ATOM 148 CB ILE A 12 21.897 -7.083 91.759 1.00 0.00 C ATOM 149 CG1 ILE A 12 20.896 -7.045 92.914 1.00 0.00 C ATOM 150 CG2 ILE A 12 21.290 -6.354 90.570 1.00 0.00 C ATOM 151 CD1 ILE A 12 19.575 -7.713 92.600 1.00 0.00 C ATOM 0 H ILE A 12 23.230 -8.600 93.224 1.00 0.00 H new ATOM 0 HA ILE A 12 21.307 -9.096 91.230 1.00 0.00 H new ATOM 0 HB ILE A 12 22.824 -6.594 92.057 1.00 0.00 H new ATOM 0 HG12 ILE A 12 21.340 -7.530 93.783 1.00 0.00 H new ATOM 0 HG13 ILE A 12 20.711 -6.006 93.188 1.00 0.00 H new ATOM 0 HG21 ILE A 12 21.060 -5.327 90.852 1.00 0.00 H new ATOM 0 HG22 ILE A 12 22.000 -6.353 89.743 1.00 0.00 H new ATOM 0 HG23 ILE A 12 20.375 -6.859 90.262 1.00 0.00 H new ATOM 0 HD11 ILE A 12 18.918 -7.646 93.467 1.00 0.00 H new ATOM 0 HD12 ILE A 12 19.108 -7.214 91.751 1.00 0.00 H new ATOM 0 HD13 ILE A 12 19.746 -8.761 92.355 1.00 0.00 H new ATOM 163 N THR A 13 24.334 -8.162 90.263 1.00 0.00 N ATOM 164 CA THR A 13 25.262 -8.090 89.138 1.00 0.00 C ATOM 165 C THR A 13 25.472 -9.468 88.532 1.00 0.00 C ATOM 166 O THR A 13 25.506 -9.629 87.313 1.00 0.00 O ATOM 167 CB THR A 13 26.637 -7.550 89.574 1.00 0.00 C ATOM 168 OG1 THR A 13 26.491 -6.218 90.081 1.00 0.00 O ATOM 169 CG2 THR A 13 27.598 -7.526 88.395 1.00 0.00 C ATOM 0 H THR A 13 24.750 -7.919 91.162 1.00 0.00 H new ATOM 0 HA THR A 13 24.820 -7.414 88.406 1.00 0.00 H new ATOM 0 HB THR A 13 27.036 -8.205 90.349 1.00 0.00 H new ATOM 0 HG1 THR A 13 25.909 -6.230 90.870 1.00 0.00 H new ATOM 0 HG21 THR A 13 28.564 -7.142 88.721 1.00 0.00 H new ATOM 0 HG22 THR A 13 27.722 -8.537 88.006 1.00 0.00 H new ATOM 0 HG23 THR A 13 27.197 -6.882 87.612 1.00 0.00 H new ATOM 177 N ASP A 14 25.614 -10.464 89.403 1.00 0.00 N ATOM 178 CA ASP A 14 25.824 -11.846 88.981 1.00 0.00 C ATOM 179 C ASP A 14 24.571 -12.396 88.320 1.00 0.00 C ATOM 180 O ASP A 14 24.624 -12.960 87.228 1.00 0.00 O ATOM 181 CB ASP A 14 26.163 -12.728 90.184 1.00 0.00 C ATOM 182 CG ASP A 14 27.549 -12.455 90.735 1.00 0.00 C ATOM 183 OD1 ASP A 14 27.992 -13.205 91.629 1.00 0.00 O ATOM 184 OD2 ASP A 14 28.193 -11.490 90.271 1.00 0.00 O ATOM 0 H ASP A 14 25.587 -10.337 90.415 1.00 0.00 H new ATOM 0 HA ASP A 14 26.651 -11.855 88.271 1.00 0.00 H new ATOM 0 HB2 ASP A 14 25.425 -12.564 90.969 1.00 0.00 H new ATOM 0 HB3 ASP A 14 26.092 -13.776 89.893 1.00 0.00 H new ATOM 190 N GLY A 15 23.440 -12.224 88.998 1.00 0.00 N ATOM 191 CA GLY A 15 22.152 -12.695 88.498 1.00 0.00 C ATOM 192 C GLY A 15 21.559 -11.690 87.523 1.00 0.00 C ATOM 193 O GLY A 15 21.446 -11.955 86.327 1.00 0.00 O ATOM 0 H GLY A 15 23.390 -11.757 89.904 1.00 0.00 H new ATOM 0 HA2 GLY A 15 22.277 -13.659 88.005 1.00 0.00 H new ATOM 0 HA3 GLY A 15 21.467 -12.850 89.331 1.00 0.00 H new ATOM 197 N GLN A 16 21.180 -10.531 88.052 1.00 0.00 N ATOM 198 CA GLN A 16 20.594 -9.461 87.250 1.00 0.00 C ATOM 199 C GLN A 16 21.435 -9.203 86.010 1.00 0.00 C ATOM 200 O GLN A 16 20.937 -9.234 84.886 1.00 0.00 O ATOM 201 CB GLN A 16 20.517 -8.165 88.060 1.00 0.00 C ATOM 202 CG GLN A 16 19.878 -7.005 87.315 1.00 0.00 C ATOM 203 CD GLN A 16 18.419 -7.256 86.987 1.00 0.00 C ATOM 204 OE1 GLN A 16 17.615 -7.546 87.873 1.00 0.00 O ATOM 205 NE2 GLN A 16 18.073 -7.144 85.710 1.00 0.00 N ATOM 0 H GLN A 16 21.269 -10.307 89.043 1.00 0.00 H new ATOM 0 HA GLN A 16 19.592 -9.775 86.958 1.00 0.00 H new ATOM 0 HB2 GLN A 16 19.951 -8.353 88.973 1.00 0.00 H new ATOM 0 HB3 GLN A 16 21.524 -7.878 88.363 1.00 0.00 H new ATOM 0 HG2 GLN A 16 19.961 -6.101 87.918 1.00 0.00 H new ATOM 0 HG3 GLN A 16 20.428 -6.824 86.392 1.00 0.00 H new ATOM 0 HE21 GLN A 16 18.775 -6.901 85.011 1.00 0.00 H new ATOM 0 HE22 GLN A 16 17.105 -7.301 85.428 1.00 0.00 H new ATOM 214 N GLY A 17 22.721 -8.947 86.232 1.00 0.00 N ATOM 215 CA GLY A 17 23.661 -8.679 85.147 1.00 0.00 C ATOM 216 C GLY A 17 23.572 -9.763 84.085 1.00 0.00 C ATOM 217 O GLY A 17 23.498 -9.478 82.891 1.00 0.00 O ATOM 0 H GLY A 17 23.139 -8.919 87.162 1.00 0.00 H new ATOM 0 HA2 GLY A 17 23.445 -7.708 84.702 1.00 0.00 H new ATOM 0 HA3 GLY A 17 24.676 -8.630 85.541 1.00 0.00 H new ATOM 221 N ASP A 18 23.580 -11.013 84.538 1.00 0.00 N ATOM 222 CA ASP A 18 23.502 -12.166 83.646 1.00 0.00 C ATOM 223 C ASP A 18 22.265 -12.075 82.767 1.00 0.00 C ATOM 224 O ASP A 18 22.136 -12.790 81.774 1.00 0.00 O ATOM 225 CB ASP A 18 23.428 -13.464 84.453 1.00 0.00 C ATOM 226 CG ASP A 18 24.735 -13.793 85.147 1.00 0.00 C ATOM 227 OD1 ASP A 18 25.093 -14.989 85.202 1.00 0.00 O ATOM 228 OD2 ASP A 18 25.401 -12.857 85.636 1.00 0.00 O ATOM 0 H ASP A 18 23.640 -11.255 85.527 1.00 0.00 H new ATOM 0 HA ASP A 18 24.398 -12.168 83.025 1.00 0.00 H new ATOM 0 HB2 ASP A 18 22.636 -13.380 85.198 1.00 0.00 H new ATOM 0 HB3 ASP A 18 23.156 -14.285 83.790 1.00 0.00 H new ATOM 234 N MET A 19 21.354 -11.184 83.146 1.00 0.00 N ATOM 235 CA MET A 19 20.111 -10.975 82.409 1.00 0.00 C ATOM 236 C MET A 19 20.401 -10.434 81.019 1.00 0.00 C ATOM 237 O MET A 19 19.801 -10.857 80.033 1.00 0.00 O ATOM 238 CB MET A 19 19.216 -9.973 83.141 1.00 0.00 C ATOM 239 CG MET A 19 17.861 -9.757 82.487 1.00 0.00 C ATOM 240 SD MET A 19 16.833 -8.581 83.387 1.00 0.00 S ATOM 241 CE MET A 19 16.460 -9.520 84.866 1.00 0.00 C ATOM 0 H MET A 19 21.455 -10.589 83.968 1.00 0.00 H new ATOM 0 HA MET A 19 19.604 -11.937 82.333 1.00 0.00 H new ATOM 0 HB2 MET A 19 19.063 -10.318 84.163 1.00 0.00 H new ATOM 0 HB3 MET A 19 19.735 -9.016 83.202 1.00 0.00 H new ATOM 0 HG2 MET A 19 18.007 -9.400 81.468 1.00 0.00 H new ATOM 0 HG3 MET A 19 17.339 -10.711 82.419 1.00 0.00 H new ATOM 0 HE1 MET A 19 15.758 -8.961 85.484 1.00 0.00 H new ATOM 0 HE2 MET A 19 16.017 -10.476 84.588 1.00 0.00 H new ATOM 0 HE3 MET A 19 17.378 -9.695 85.427 1.00 0.00 H new ATOM 251 N LYS A 20 21.334 -9.487 80.954 1.00 0.00 N ATOM 252 CA LYS A 20 21.727 -8.865 79.693 1.00 0.00 C ATOM 253 C LYS A 20 22.215 -9.918 78.710 1.00 0.00 C ATOM 254 O LYS A 20 21.897 -9.875 77.523 1.00 0.00 O ATOM 255 CB LYS A 20 22.855 -7.857 79.922 1.00 0.00 C ATOM 256 CG LYS A 20 23.286 -7.113 78.668 1.00 0.00 C ATOM 257 CD LYS A 20 24.367 -6.091 78.977 1.00 0.00 C ATOM 258 CE LYS A 20 24.809 -5.357 77.721 1.00 0.00 C ATOM 259 NZ LYS A 20 25.860 -4.343 78.010 1.00 0.00 N ATOM 0 H LYS A 20 21.835 -9.132 81.768 1.00 0.00 H new ATOM 0 HA LYS A 20 20.853 -8.356 79.286 1.00 0.00 H new ATOM 0 HB2 LYS A 20 22.534 -7.132 80.670 1.00 0.00 H new ATOM 0 HB3 LYS A 20 23.717 -8.380 80.336 1.00 0.00 H new ATOM 0 HG2 LYS A 20 23.655 -7.824 77.929 1.00 0.00 H new ATOM 0 HG3 LYS A 20 22.425 -6.612 78.225 1.00 0.00 H new ATOM 0 HD2 LYS A 20 23.994 -5.373 79.708 1.00 0.00 H new ATOM 0 HD3 LYS A 20 25.224 -6.590 79.429 1.00 0.00 H new ATOM 0 HE2 LYS A 20 25.189 -6.076 76.995 1.00 0.00 H new ATOM 0 HE3 LYS A 20 23.948 -4.868 77.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 26.134 -3.865 77.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 25.490 -3.642 78.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 26.692 -4.813 78.422 1.00 0.00 H new ATOM 273 N ALA A 21 22.995 -10.866 79.223 1.00 0.00 N ATOM 274 CA ALA A 21 23.545 -11.948 78.411 1.00 0.00 C ATOM 275 C ALA A 21 22.439 -12.884 77.953 1.00 0.00 C ATOM 276 O ALA A 21 22.417 -13.330 76.807 1.00 0.00 O ATOM 277 CB ALA A 21 24.556 -12.752 79.214 1.00 0.00 C ATOM 0 H ALA A 21 23.262 -10.906 80.207 1.00 0.00 H new ATOM 0 HA ALA A 21 24.032 -11.501 77.544 1.00 0.00 H new ATOM 0 HB1 ALA A 21 24.957 -13.555 78.595 1.00 0.00 H new ATOM 0 HB2 ALA A 21 25.369 -12.100 79.533 1.00 0.00 H new ATOM 0 HB3 ALA A 21 24.068 -13.179 80.090 1.00 0.00 H new ATOM 283 N ILE A 22 21.518 -13.178 78.868 1.00 0.00 N ATOM 284 CA ILE A 22 20.393 -14.064 78.585 1.00 0.00 C ATOM 285 C ILE A 22 19.491 -13.455 77.523 1.00 0.00 C ATOM 286 O ILE A 22 19.128 -14.109 76.547 1.00 0.00 O ATOM 287 CB ILE A 22 19.541 -14.314 79.843 1.00 0.00 C ATOM 288 CG1 ILE A 22 20.334 -15.124 80.872 1.00 0.00 C ATOM 289 CG2 ILE A 22 18.281 -15.089 79.488 1.00 0.00 C ATOM 290 CD1 ILE A 22 19.670 -15.205 82.229 1.00 0.00 C ATOM 0 H ILE A 22 21.530 -12.811 79.820 1.00 0.00 H new ATOM 0 HA ILE A 22 20.813 -15.008 78.236 1.00 0.00 H new ATOM 0 HB ILE A 22 19.272 -13.344 80.262 1.00 0.00 H new ATOM 0 HG12 ILE A 22 20.482 -16.134 80.490 1.00 0.00 H new ATOM 0 HG13 ILE A 22 21.322 -14.679 80.987 1.00 0.00 H new ATOM 0 HG21 ILE A 22 17.691 -15.257 80.389 1.00 0.00 H new ATOM 0 HG22 ILE A 22 17.693 -14.518 78.770 1.00 0.00 H new ATOM 0 HG23 ILE A 22 18.555 -16.049 79.050 1.00 0.00 H new ATOM 0 HD11 ILE A 22 20.291 -15.794 82.903 1.00 0.00 H new ATOM 0 HD12 ILE A 22 19.546 -14.201 82.634 1.00 0.00 H new ATOM 0 HD13 ILE A 22 18.693 -15.678 82.128 1.00 0.00 H new ATOM 302 N GLY A 23 19.134 -12.191 77.727 1.00 0.00 N ATOM 303 CA GLY A 23 18.272 -11.464 76.799 1.00 0.00 C ATOM 304 C GLY A 23 18.977 -11.257 75.468 1.00 0.00 C ATOM 305 O GLY A 23 18.392 -11.444 74.402 1.00 0.00 O ATOM 0 H GLY A 23 19.431 -11.644 78.535 1.00 0.00 H new ATOM 0 HA2 GLY A 23 17.346 -12.017 76.644 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.999 -10.499 77.227 1.00 0.00 H new ATOM 309 N GLY A 24 20.247 -10.868 75.545 1.00 0.00 N ATOM 310 CA GLY A 24 21.061 -10.626 74.358 1.00 0.00 C ATOM 311 C GLY A 24 21.326 -11.928 73.619 1.00 0.00 C ATOM 312 O GLY A 24 21.053 -12.049 72.426 1.00 0.00 O ATOM 0 H GLY A 24 20.738 -10.713 76.426 1.00 0.00 H new ATOM 0 HA2 GLY A 24 20.552 -9.924 73.698 1.00 0.00 H new ATOM 0 HA3 GLY A 24 22.006 -10.166 74.646 1.00 0.00 H new ATOM 316 N TYR A 25 21.862 -12.904 74.347 1.00 0.00 N ATOM 317 CA TYR A 25 22.176 -14.214 73.785 1.00 0.00 C ATOM 318 C TYR A 25 20.939 -14.834 73.156 1.00 0.00 C ATOM 319 O TYR A 25 21.007 -15.456 72.097 1.00 0.00 O ATOM 320 CB TYR A 25 22.688 -15.157 74.876 1.00 0.00 C ATOM 321 CG TYR A 25 23.023 -16.544 74.379 1.00 0.00 C ATOM 322 CD1 TYR A 25 24.208 -16.787 73.695 1.00 0.00 C ATOM 323 CD2 TYR A 25 22.155 -17.607 74.595 1.00 0.00 C ATOM 324 CE1 TYR A 25 24.523 -18.053 73.237 1.00 0.00 C ATOM 325 CE2 TYR A 25 22.454 -18.879 74.144 1.00 0.00 C ATOM 326 CZ TYR A 25 23.650 -19.095 73.460 1.00 0.00 C ATOM 327 OH TYR A 25 23.961 -20.355 73.005 1.00 0.00 O ATOM 0 H TYR A 25 22.090 -12.810 75.337 1.00 0.00 H new ATOM 0 HA TYR A 25 22.946 -14.074 73.026 1.00 0.00 H new ATOM 0 HB2 TYR A 25 23.577 -14.721 75.332 1.00 0.00 H new ATOM 0 HB3 TYR A 25 21.934 -15.235 75.659 1.00 0.00 H new ATOM 0 HD1 TYR A 25 24.895 -15.973 73.518 1.00 0.00 H new ATOM 0 HD2 TYR A 25 21.230 -17.436 75.125 1.00 0.00 H new ATOM 0 HE1 TYR A 25 25.448 -18.224 72.707 1.00 0.00 H new ATOM 0 HE2 TYR A 25 21.770 -19.696 74.319 1.00 0.00 H new ATOM 0 HH TYR A 25 23.242 -20.976 73.245 1.00 0.00 H new ATOM 337 N ILE A 26 19.803 -14.654 73.824 1.00 0.00 N ATOM 338 CA ILE A 26 18.527 -15.187 73.352 1.00 0.00 C ATOM 339 C ILE A 26 18.009 -14.366 72.182 1.00 0.00 C ATOM 340 O ILE A 26 17.556 -14.909 71.176 1.00 0.00 O ATOM 341 CB ILE A 26 17.459 -15.159 74.461 1.00 0.00 C ATOM 342 CG1 ILE A 26 17.830 -16.130 75.583 1.00 0.00 C ATOM 343 CG2 ILE A 26 16.102 -15.562 73.904 1.00 0.00 C ATOM 344 CD1 ILE A 26 16.971 -15.989 76.821 1.00 0.00 C ATOM 0 H ILE A 26 19.740 -14.138 74.702 1.00 0.00 H new ATOM 0 HA ILE A 26 18.707 -16.218 73.046 1.00 0.00 H new ATOM 0 HB ILE A 26 17.410 -14.143 74.852 1.00 0.00 H new ATOM 0 HG12 ILE A 26 17.748 -17.151 75.209 1.00 0.00 H new ATOM 0 HG13 ILE A 26 18.874 -15.973 75.856 1.00 0.00 H new ATOM 0 HG21 ILE A 26 15.359 -15.537 74.701 1.00 0.00 H new ATOM 0 HG22 ILE A 26 15.812 -14.868 73.115 1.00 0.00 H new ATOM 0 HG23 ILE A 26 16.161 -16.571 73.495 1.00 0.00 H new ATOM 0 HD11 ILE A 26 17.294 -16.710 77.572 1.00 0.00 H new ATOM 0 HD12 ILE A 26 17.071 -14.980 77.220 1.00 0.00 H new ATOM 0 HD13 ILE A 26 15.928 -16.175 76.564 1.00 0.00 H new ATOM 356 N VAL A 27 18.083 -13.047 72.328 1.00 0.00 N ATOM 357 CA VAL A 27 17.626 -12.120 71.295 1.00 0.00 C ATOM 358 C VAL A 27 18.619 -12.076 70.144 1.00 0.00 C ATOM 359 O VAL A 27 18.247 -11.857 68.992 1.00 0.00 O ATOM 360 CB VAL A 27 17.476 -10.690 71.846 1.00 0.00 C ATOM 361 CG1 VAL A 27 18.841 -10.065 72.087 1.00 0.00 C ATOM 362 CG2 VAL A 27 16.714 -9.816 70.861 1.00 0.00 C ATOM 0 H VAL A 27 18.459 -12.591 73.160 1.00 0.00 H new ATOM 0 HA VAL A 27 16.657 -12.481 70.951 1.00 0.00 H new ATOM 0 HB VAL A 27 16.927 -10.753 72.786 1.00 0.00 H new ATOM 0 HG11 VAL A 27 18.715 -9.055 72.476 1.00 0.00 H new ATOM 0 HG12 VAL A 27 19.394 -10.666 72.809 1.00 0.00 H new ATOM 0 HG13 VAL A 27 19.394 -10.026 71.149 1.00 0.00 H new ATOM 0 HG21 VAL A 27 16.618 -8.809 71.267 1.00 0.00 H new ATOM 0 HG22 VAL A 27 17.255 -9.776 69.916 1.00 0.00 H new ATOM 0 HG23 VAL A 27 15.722 -10.236 70.693 1.00 0.00 H new ATOM 372 N GLY A 28 19.890 -12.288 70.472 1.00 0.00 N ATOM 373 CA GLY A 28 20.963 -12.277 69.483 1.00 0.00 C ATOM 374 C GLY A 28 20.936 -13.552 68.655 1.00 0.00 C ATOM 375 O GLY A 28 21.429 -13.590 67.529 1.00 0.00 O ATOM 0 H GLY A 28 20.204 -12.471 71.425 1.00 0.00 H new ATOM 0 HA2 GLY A 28 20.856 -11.410 68.831 1.00 0.00 H new ATOM 0 HA3 GLY A 28 21.926 -12.182 69.984 1.00 0.00 H new ATOM 379 N ALA A 29 20.352 -14.599 69.231 1.00 0.00 N ATOM 380 CA ALA A 29 20.245 -15.895 68.569 1.00 0.00 C ATOM 381 C ALA A 29 19.023 -15.932 67.664 1.00 0.00 C ATOM 382 O ALA A 29 19.025 -16.577 66.617 1.00 0.00 O ATOM 383 CB ALA A 29 20.116 -17.007 69.598 1.00 0.00 C ATOM 0 H ALA A 29 19.942 -14.573 70.165 1.00 0.00 H new ATOM 0 HA ALA A 29 21.148 -16.042 67.976 1.00 0.00 H new ATOM 0 HB1 ALA A 29 20.037 -17.967 69.088 1.00 0.00 H new ATOM 0 HB2 ALA A 29 20.995 -17.010 70.243 1.00 0.00 H new ATOM 0 HB3 ALA A 29 19.223 -16.842 70.202 1.00 0.00 H new ATOM 389 N LEU A 30 17.976 -15.228 68.085 1.00 0.00 N ATOM 390 CA LEU A 30 16.728 -15.161 67.330 1.00 0.00 C ATOM 391 C LEU A 30 16.989 -14.680 65.912 1.00 0.00 C ATOM 392 O LEU A 30 16.284 -15.052 64.975 1.00 0.00 O ATOM 393 CB LEU A 30 15.750 -14.192 67.997 1.00 0.00 C ATOM 394 CG LEU A 30 15.150 -14.644 69.330 1.00 0.00 C ATOM 395 CD1 LEU A 30 14.301 -13.540 69.940 1.00 0.00 C ATOM 396 CD2 LEU A 30 14.269 -15.869 69.136 1.00 0.00 C ATOM 0 H LEU A 30 17.968 -14.692 68.952 1.00 0.00 H new ATOM 0 HA LEU A 30 16.299 -16.163 67.308 1.00 0.00 H new ATOM 0 HB2 LEU A 30 16.264 -13.244 68.157 1.00 0.00 H new ATOM 0 HB3 LEU A 30 14.933 -13.999 67.302 1.00 0.00 H new ATOM 0 HG LEU A 30 15.979 -14.885 69.995 1.00 0.00 H new ATOM 0 HD11 LEU A 30 13.884 -13.883 70.887 1.00 0.00 H new ATOM 0 HD12 LEU A 30 14.919 -12.659 70.113 1.00 0.00 H new ATOM 0 HD13 LEU A 30 13.490 -13.286 69.258 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.853 -16.173 70.096 1.00 0.00 H new ATOM 0 HD22 LEU A 30 13.458 -15.629 68.449 1.00 0.00 H new ATOM 0 HD23 LEU A 30 14.864 -16.684 68.724 1.00 0.00 H new ATOM 408 N VAL A 31 18.013 -13.845 65.767 1.00 0.00 N ATOM 409 CA VAL A 31 18.394 -13.294 64.469 1.00 0.00 C ATOM 410 C VAL A 31 18.635 -14.410 63.467 1.00 0.00 C ATOM 411 O VAL A 31 18.339 -14.275 62.281 1.00 0.00 O ATOM 412 CB VAL A 31 19.684 -12.459 64.567 1.00 0.00 C ATOM 413 CG1 VAL A 31 20.186 -12.089 63.180 1.00 0.00 C ATOM 414 CG2 VAL A 31 19.431 -11.177 65.345 1.00 0.00 C ATOM 0 H VAL A 31 18.600 -13.532 66.540 1.00 0.00 H new ATOM 0 HA VAL A 31 17.572 -12.657 64.142 1.00 0.00 H new ATOM 0 HB VAL A 31 20.432 -13.062 65.082 1.00 0.00 H new ATOM 0 HG11 VAL A 31 21.098 -11.499 63.269 1.00 0.00 H new ATOM 0 HG12 VAL A 31 20.395 -12.997 62.614 1.00 0.00 H new ATOM 0 HG13 VAL A 31 19.425 -11.505 62.662 1.00 0.00 H new ATOM 0 HG21 VAL A 31 20.353 -10.599 65.404 1.00 0.00 H new ATOM 0 HG22 VAL A 31 18.666 -10.589 64.838 1.00 0.00 H new ATOM 0 HG23 VAL A 31 19.092 -11.423 66.351 1.00 0.00 H new ATOM 424 N ILE A 32 19.178 -15.519 63.961 1.00 0.00 N ATOM 425 CA ILE A 32 19.472 -16.683 63.128 1.00 0.00 C ATOM 426 C ILE A 32 18.187 -17.290 62.590 1.00 0.00 C ATOM 427 O ILE A 32 18.102 -17.670 61.423 1.00 0.00 O ATOM 428 CB ILE A 32 20.214 -17.773 63.923 1.00 0.00 C ATOM 429 CG1 ILE A 32 21.611 -17.288 64.318 1.00 0.00 C ATOM 430 CG2 ILE A 32 20.360 -19.036 63.088 1.00 0.00 C ATOM 431 CD1 ILE A 32 22.315 -18.192 65.306 1.00 0.00 C ATOM 0 H ILE A 32 19.426 -15.637 64.943 1.00 0.00 H new ATOM 0 HA ILE A 32 20.103 -16.336 62.310 1.00 0.00 H new ATOM 0 HB ILE A 32 19.630 -17.989 64.818 1.00 0.00 H new ATOM 0 HG12 ILE A 32 22.223 -17.201 63.420 1.00 0.00 H new ATOM 0 HG13 ILE A 32 21.531 -16.289 64.747 1.00 0.00 H new ATOM 0 HG21 ILE A 32 20.887 -19.795 63.666 1.00 0.00 H new ATOM 0 HG22 ILE A 32 19.372 -19.408 62.815 1.00 0.00 H new ATOM 0 HG23 ILE A 32 20.926 -18.811 62.184 1.00 0.00 H new ATOM 0 HD11 ILE A 32 23.298 -17.782 65.537 1.00 0.00 H new ATOM 0 HD12 ILE A 32 21.726 -18.260 66.221 1.00 0.00 H new ATOM 0 HD13 ILE A 32 22.429 -19.186 64.873 1.00 0.00 H new ATOM 443 N LEU A 33 17.184 -17.377 63.460 1.00 0.00 N ATOM 444 CA LEU A 33 15.885 -17.938 63.099 1.00 0.00 C ATOM 445 C LEU A 33 15.232 -17.105 62.008 1.00 0.00 C ATOM 446 O LEU A 33 14.748 -17.633 61.008 1.00 0.00 O ATOM 447 CB LEU A 33 14.955 -17.960 64.314 1.00 0.00 C ATOM 448 CG LEU A 33 15.284 -18.985 65.401 1.00 0.00 C ATOM 449 CD1 LEU A 33 14.363 -18.813 66.599 1.00 0.00 C ATOM 450 CD2 LEU A 33 15.117 -20.402 64.873 1.00 0.00 C ATOM 0 H LEU A 33 17.248 -17.063 64.428 1.00 0.00 H new ATOM 0 HA LEU A 33 16.049 -18.954 62.741 1.00 0.00 H new ATOM 0 HB2 LEU A 33 14.960 -16.968 64.766 1.00 0.00 H new ATOM 0 HB3 LEU A 33 13.940 -18.146 63.964 1.00 0.00 H new ATOM 0 HG LEU A 33 16.319 -18.820 65.701 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.614 -19.552 67.360 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.485 -17.811 67.011 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.328 -18.952 66.286 1.00 0.00 H new ATOM 0 HD21 LEU A 33 15.356 -21.115 65.662 1.00 0.00 H new ATOM 0 HD22 LEU A 33 14.087 -20.551 64.549 1.00 0.00 H new ATOM 0 HD23 LEU A 33 15.788 -20.557 64.028 1.00 0.00 H new ATOM 462 N ALA A 34 15.225 -15.792 62.214 1.00 0.00 N ATOM 463 CA ALA A 34 14.635 -14.856 61.260 1.00 0.00 C ATOM 464 C ALA A 34 15.312 -14.979 59.905 1.00 0.00 C ATOM 465 O ALA A 34 14.660 -14.945 58.862 1.00 0.00 O ATOM 466 CB ALA A 34 14.797 -13.426 61.751 1.00 0.00 C ATOM 0 H ALA A 34 15.625 -15.348 63.041 1.00 0.00 H new ATOM 0 HA ALA A 34 13.576 -15.098 61.167 1.00 0.00 H new ATOM 0 HB1 ALA A 34 14.352 -12.741 61.029 1.00 0.00 H new ATOM 0 HB2 ALA A 34 14.298 -13.313 62.714 1.00 0.00 H new ATOM 0 HB3 ALA A 34 15.857 -13.198 61.863 1.00 0.00 H new ATOM 472 N VAL A 35 16.634 -15.122 59.934 1.00 0.00 N ATOM 473 CA VAL A 35 17.431 -15.254 58.718 1.00 0.00 C ATOM 474 C VAL A 35 16.932 -16.416 57.877 1.00 0.00 C ATOM 475 O VAL A 35 16.805 -16.312 56.658 1.00 0.00 O ATOM 476 CB VAL A 35 18.915 -15.507 59.041 1.00 0.00 C ATOM 477 CG1 VAL A 35 19.685 -15.848 57.774 1.00 0.00 C ATOM 478 CG2 VAL A 35 19.543 -14.271 59.667 1.00 0.00 C ATOM 0 H VAL A 35 17.180 -15.150 60.795 1.00 0.00 H new ATOM 0 HA VAL A 35 17.331 -14.316 58.171 1.00 0.00 H new ATOM 0 HB VAL A 35 18.965 -16.341 59.741 1.00 0.00 H new ATOM 0 HG11 VAL A 35 20.732 -16.024 58.021 1.00 0.00 H new ATOM 0 HG12 VAL A 35 19.263 -16.746 57.322 1.00 0.00 H new ATOM 0 HG13 VAL A 35 19.612 -15.019 57.070 1.00 0.00 H new ATOM 0 HG21 VAL A 35 20.592 -14.468 59.889 1.00 0.00 H new ATOM 0 HG22 VAL A 35 19.470 -13.434 58.972 1.00 0.00 H new ATOM 0 HG23 VAL A 35 19.018 -14.023 60.589 1.00 0.00 H new ATOM 488 N ALA A 36 16.648 -17.529 58.547 1.00 0.00 N ATOM 489 CA ALA A 36 16.158 -18.735 57.885 1.00 0.00 C ATOM 490 C ALA A 36 14.790 -18.486 57.271 1.00 0.00 C ATOM 491 O ALA A 36 14.533 -18.847 56.123 1.00 0.00 O ATOM 492 CB ALA A 36 16.038 -19.876 58.883 1.00 0.00 C ATOM 0 H ALA A 36 16.750 -17.621 59.558 1.00 0.00 H new ATOM 0 HA ALA A 36 16.870 -19.000 57.104 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.672 -20.768 58.374 1.00 0.00 H new ATOM 0 HB2 ALA A 36 17.016 -20.083 59.319 1.00 0.00 H new ATOM 0 HB3 ALA A 36 15.341 -19.597 59.673 1.00 0.00 H new ATOM 498 N GLY A 37 13.913 -17.863 58.053 1.00 0.00 N ATOM 499 CA GLY A 37 12.557 -17.551 57.612 1.00 0.00 C ATOM 500 C GLY A 37 12.584 -16.870 56.253 1.00 0.00 C ATOM 501 O GLY A 37 12.016 -17.366 55.281 1.00 0.00 O ATOM 0 H GLY A 37 14.121 -17.562 59.005 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.967 -18.466 57.556 1.00 0.00 H new ATOM 0 HA3 GLY A 37 12.071 -16.903 58.341 1.00 0.00 H new ATOM 505 N LEU A 38 13.254 -15.722 56.199 1.00 0.00 N ATOM 506 CA LEU A 38 13.373 -14.945 54.968 1.00 0.00 C ATOM 507 C LEU A 38 14.064 -15.762 53.889 1.00 0.00 C ATOM 508 O LEU A 38 13.693 -15.712 52.718 1.00 0.00 O ATOM 509 CB LEU A 38 14.191 -13.676 55.213 1.00 0.00 C ATOM 510 CG LEU A 38 13.520 -12.588 56.054 1.00 0.00 C ATOM 511 CD1 LEU A 38 14.486 -11.445 56.324 1.00 0.00 C ATOM 512 CD2 LEU A 38 12.305 -12.024 55.333 1.00 0.00 C ATOM 0 H LEU A 38 13.727 -15.306 57.001 1.00 0.00 H new ATOM 0 HA LEU A 38 12.367 -14.679 54.643 1.00 0.00 H new ATOM 0 HB2 LEU A 38 15.124 -13.959 55.701 1.00 0.00 H new ATOM 0 HB3 LEU A 38 14.455 -13.247 54.246 1.00 0.00 H new ATOM 0 HG LEU A 38 13.214 -13.045 56.995 1.00 0.00 H new ATOM 0 HD11 LEU A 38 13.989 -10.682 56.923 1.00 0.00 H new ATOM 0 HD12 LEU A 38 15.354 -11.822 56.864 1.00 0.00 H new ATOM 0 HD13 LEU A 38 14.808 -11.010 55.378 1.00 0.00 H new ATOM 0 HD21 LEU A 38 11.843 -11.252 55.948 1.00 0.00 H new ATOM 0 HD22 LEU A 38 12.615 -11.592 54.381 1.00 0.00 H new ATOM 0 HD23 LEU A 38 11.586 -12.823 55.152 1.00 0.00 H new ATOM 524 N ILE A 39 15.078 -16.517 54.300 1.00 0.00 N ATOM 525 CA ILE A 39 15.844 -17.360 53.387 1.00 0.00 C ATOM 526 C ILE A 39 14.934 -18.358 52.692 1.00 0.00 C ATOM 527 O ILE A 39 15.028 -18.572 51.484 1.00 0.00 O ATOM 528 CB ILE A 39 16.934 -18.153 54.131 1.00 0.00 C ATOM 529 CG1 ILE A 39 18.010 -17.207 54.668 1.00 0.00 C ATOM 530 CG2 ILE A 39 17.595 -19.155 53.198 1.00 0.00 C ATOM 531 CD1 ILE A 39 18.723 -16.419 53.590 1.00 0.00 C ATOM 0 H ILE A 39 15.391 -16.562 55.270 1.00 0.00 H new ATOM 0 HA ILE A 39 16.309 -16.695 52.659 1.00 0.00 H new ATOM 0 HB ILE A 39 16.457 -18.679 54.958 1.00 0.00 H new ATOM 0 HG12 ILE A 39 17.551 -16.511 55.371 1.00 0.00 H new ATOM 0 HG13 ILE A 39 18.744 -17.787 55.227 1.00 0.00 H new ATOM 0 HG21 ILE A 39 18.363 -19.706 53.741 1.00 0.00 H new ATOM 0 HG22 ILE A 39 16.846 -19.851 52.822 1.00 0.00 H new ATOM 0 HG23 ILE A 39 18.051 -18.627 52.361 1.00 0.00 H new ATOM 0 HD11 ILE A 39 19.471 -15.771 54.047 1.00 0.00 H new ATOM 0 HD12 ILE A 39 19.212 -17.107 52.900 1.00 0.00 H new ATOM 0 HD13 ILE A 39 18.000 -15.811 53.045 1.00 0.00 H new ATOM 543 N TYR A 40 14.047 -18.968 53.474 1.00 0.00 N ATOM 544 CA TYR A 40 13.100 -19.953 52.959 1.00 0.00 C ATOM 545 C TYR A 40 12.075 -19.287 52.058 1.00 0.00 C ATOM 546 O TYR A 40 11.715 -19.812 51.006 1.00 0.00 O ATOM 547 CB TYR A 40 12.359 -20.637 54.110 1.00 0.00 C ATOM 548 CG TYR A 40 11.375 -21.694 53.663 1.00 0.00 C ATOM 549 CD1 TYR A 40 11.812 -22.953 53.272 1.00 0.00 C ATOM 550 CD2 TYR A 40 10.012 -21.429 53.632 1.00 0.00 C ATOM 551 CE1 TYR A 40 10.919 -23.925 52.862 1.00 0.00 C ATOM 552 CE2 TYR A 40 9.105 -22.388 53.225 1.00 0.00 C ATOM 553 CZ TYR A 40 9.570 -23.644 52.838 1.00 0.00 C ATOM 554 OH TYR A 40 8.680 -24.610 52.430 1.00 0.00 O ATOM 0 H TYR A 40 13.964 -18.795 54.476 1.00 0.00 H new ATOM 0 HA TYR A 40 13.666 -20.692 52.392 1.00 0.00 H new ATOM 0 HB2 TYR A 40 13.089 -21.094 54.779 1.00 0.00 H new ATOM 0 HB3 TYR A 40 11.827 -19.881 54.687 1.00 0.00 H new ATOM 0 HD1 TYR A 40 12.868 -23.177 53.289 1.00 0.00 H new ATOM 0 HD2 TYR A 40 9.655 -20.455 53.932 1.00 0.00 H new ATOM 0 HE1 TYR A 40 11.276 -24.899 52.562 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.048 -22.167 53.207 1.00 0.00 H new ATOM 0 HH TYR A 40 7.768 -24.253 52.472 1.00 0.00 H new ATOM 564 N SER A 41 11.607 -18.117 52.486 1.00 0.00 N ATOM 565 CA SER A 41 10.617 -17.351 51.735 1.00 0.00 C ATOM 566 C SER A 41 11.152 -16.996 50.357 1.00 0.00 C ATOM 567 O SER A 41 10.490 -17.212 49.343 1.00 0.00 O ATOM 568 CB SER A 41 10.274 -16.053 52.469 1.00 0.00 C ATOM 569 OG SER A 41 9.620 -16.320 53.698 1.00 0.00 O ATOM 0 H SER A 41 11.901 -17.676 53.357 1.00 0.00 H new ATOM 0 HA SER A 41 9.724 -17.968 51.638 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.185 -15.485 52.654 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.634 -15.434 51.840 1.00 0.00 H new ATOM 0 HG SER A 41 10.267 -16.676 54.342 1.00 0.00 H new ATOM 575 N MET A 42 12.363 -16.446 50.335 1.00 0.00 N ATOM 576 CA MET A 42 13.016 -16.049 49.091 1.00 0.00 C ATOM 577 C MET A 42 13.284 -17.264 48.218 1.00 0.00 C ATOM 578 O MET A 42 13.101 -17.227 47.002 1.00 0.00 O ATOM 579 CB MET A 42 14.351 -15.360 49.383 1.00 0.00 C ATOM 580 CG MET A 42 15.062 -14.837 48.146 1.00 0.00 C ATOM 581 SD MET A 42 16.614 -14.005 48.535 1.00 0.00 S ATOM 582 CE MET A 42 17.628 -15.395 49.032 1.00 0.00 C ATOM 0 H MET A 42 12.916 -16.264 51.173 1.00 0.00 H new ATOM 0 HA MET A 42 12.349 -15.361 48.572 1.00 0.00 H new ATOM 0 HB2 MET A 42 14.177 -14.530 50.068 1.00 0.00 H new ATOM 0 HB3 MET A 42 15.007 -16.064 49.896 1.00 0.00 H new ATOM 0 HG2 MET A 42 15.259 -15.667 47.467 1.00 0.00 H new ATOM 0 HG3 MET A 42 14.405 -14.144 47.620 1.00 0.00 H new ATOM 0 HE1 MET A 42 18.674 -15.090 49.064 1.00 0.00 H new ATOM 0 HE2 MET A 42 17.319 -15.735 50.020 1.00 0.00 H new ATOM 0 HE3 MET A 42 17.509 -16.207 48.315 1.00 0.00 H new ATOM 592 N LEU A 43 13.721 -18.345 48.857 1.00 0.00 N ATOM 593 CA LEU A 43 14.024 -19.593 48.163 1.00 0.00 C ATOM 594 C LEU A 43 12.742 -20.309 47.772 1.00 0.00 C ATOM 595 O LEU A 43 12.634 -20.870 46.683 1.00 0.00 O ATOM 596 CB LEU A 43 14.841 -20.522 49.063 1.00 0.00 C ATOM 597 CG LEU A 43 16.286 -20.099 49.340 1.00 0.00 C ATOM 598 CD1 LEU A 43 16.937 -21.037 50.344 1.00 0.00 C ATOM 599 CD2 LEU A 43 17.108 -20.125 48.061 1.00 0.00 C ATOM 0 H LEU A 43 13.875 -18.381 49.865 1.00 0.00 H new ATOM 0 HA LEU A 43 14.597 -19.345 47.269 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.323 -20.616 50.017 1.00 0.00 H new ATOM 0 HB3 LEU A 43 14.856 -21.513 48.609 1.00 0.00 H new ATOM 0 HG LEU A 43 16.258 -19.086 49.742 1.00 0.00 H new ATOM 0 HD11 LEU A 43 17.963 -20.719 50.527 1.00 0.00 H new ATOM 0 HD12 LEU A 43 16.378 -21.014 51.279 1.00 0.00 H new ATOM 0 HD13 LEU A 43 16.937 -22.052 49.947 1.00 0.00 H new ATOM 0 HD21 LEU A 43 18.132 -19.821 48.280 1.00 0.00 H new ATOM 0 HD22 LEU A 43 17.109 -21.134 47.650 1.00 0.00 H new ATOM 0 HD23 LEU A 43 16.673 -19.438 47.335 1.00 0.00 H new ATOM 611 N ARG A 44 11.769 -20.283 48.678 1.00 0.00 N ATOM 612 CA ARG A 44 10.477 -20.924 48.455 1.00 0.00 C ATOM 613 C ARG A 44 9.570 -20.022 47.634 1.00 0.00 C ATOM 614 O ARG A 44 8.758 -20.491 46.838 1.00 0.00 O ATOM 615 CB ARG A 44 9.787 -21.218 49.789 1.00 0.00 C ATOM 616 CG ARG A 44 8.473 -21.970 49.655 1.00 0.00 C ATOM 617 CD ARG A 44 8.694 -23.379 49.131 1.00 0.00 C ATOM 618 NE ARG A 44 7.441 -24.121 49.012 1.00 0.00 N ATOM 619 CZ ARG A 44 7.329 -25.309 48.427 1.00 0.00 C ATOM 620 NH1 ARG A 44 8.398 -25.894 47.904 1.00 0.00 N ATOM 621 NH2 ARG A 44 6.148 -25.909 48.366 1.00 0.00 N ATOM 0 H ARG A 44 11.853 -19.820 49.583 1.00 0.00 H new ATOM 0 HA ARG A 44 10.657 -21.855 47.918 1.00 0.00 H new ATOM 0 HB2 ARG A 44 10.464 -21.799 50.416 1.00 0.00 H new ATOM 0 HB3 ARG A 44 9.603 -20.276 50.306 1.00 0.00 H new ATOM 0 HG2 ARG A 44 7.976 -22.014 50.624 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.809 -21.429 48.981 1.00 0.00 H new ATOM 0 HD2 ARG A 44 9.181 -23.331 48.157 1.00 0.00 H new ATOM 0 HD3 ARG A 44 9.369 -23.913 49.800 1.00 0.00 H new ATOM 0 HE ARG A 44 6.598 -23.700 49.403 1.00 0.00 H new ATOM 0 HH11 ARG A 44 9.306 -25.432 47.951 1.00 0.00 H new ATOM 0 HH12 ARG A 44 8.312 -26.806 47.455 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.326 -25.459 48.768 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.062 -26.821 47.917 1.00 0.00 H new ATOM 635 N LYS A 45 9.719 -18.717 47.840 1.00 0.00 N ATOM 636 CA LYS A 45 8.924 -17.719 47.130 1.00 0.00 C ATOM 637 C LYS A 45 9.382 -17.602 45.686 1.00 0.00 C ATOM 638 O LYS A 45 8.572 -17.586 44.761 1.00 0.00 O ATOM 639 CB LYS A 45 9.067 -16.348 47.795 1.00 0.00 C ATOM 640 CG LYS A 45 8.229 -15.256 47.151 1.00 0.00 C ATOM 641 CD LYS A 45 8.375 -13.938 47.894 1.00 0.00 C ATOM 642 CE LYS A 45 7.548 -12.842 47.241 1.00 0.00 C ATOM 643 NZ LYS A 45 7.672 -11.547 47.965 1.00 0.00 N ATOM 0 H LYS A 45 10.390 -18.323 48.499 1.00 0.00 H new ATOM 0 HA LYS A 45 7.883 -18.040 47.163 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.787 -16.434 48.845 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.115 -16.050 47.768 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.533 -15.126 46.112 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.181 -15.556 47.141 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.061 -14.065 48.930 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.424 -13.643 47.913 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.869 -12.712 46.207 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.501 -13.144 47.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.093 -10.826 47.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.342 -11.664 48.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.667 -11.245 47.969 1.00 0.00 H new ATOM 657 N ALA A 46 10.697 -17.521 45.505 1.00 0.00 N ATOM 658 CA ALA A 46 11.297 -17.404 44.179 1.00 0.00 C ATOM 659 C ALA A 46 12.812 -17.334 44.303 1.00 0.00 C ATOM 660 O ALA A 46 13.350 -17.378 45.407 1.00 0.00 O ATOM 661 CB ALA A 46 10.753 -16.159 43.484 1.00 0.00 C ATOM 0 H ALA A 46 11.374 -17.534 46.268 1.00 0.00 H new ATOM 0 HA ALA A 46 11.042 -18.279 43.581 1.00 0.00 H new ATOM 0 HB1 ALA A 46 11.200 -16.070 42.494 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.670 -16.240 43.387 1.00 0.00 H new ATOM 0 HB3 ALA A 46 10.999 -15.276 44.074 1.00 0.00 H new