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= -0.618 F(o=-3.4,f=-0.79) USER MOD Set 1.2: A 19 MET CE :methyl -167:sc= -0.168 (180deg=-0.333) USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.171 (180deg=-0.694) USER MOD Single : A 5 THR OG1 : rot -9:sc= 0.275 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 70:sc= 0.994 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= 0.302 USER MOD Single : A 42 MET CE :methyl 166:sc=-0.00643 (180deg=-0.241) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.626 -34.697 94.472 1.00 0.00 N ATOM 2 CA GLY A 1 -28.066 -34.548 94.515 1.00 0.00 C ATOM 3 C GLY A 1 -28.529 -33.643 93.385 1.00 0.00 C ATOM 4 O GLY A 1 -27.723 -33.154 92.597 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.379 -35.705 94.536 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.263 -34.308 93.578 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.200 -34.185 95.271 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.544 -35.524 94.429 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -28.368 -34.129 95.475 1.00 0.00 H new ATOM 8 N VAL A 2 -29.841 -33.429 93.320 1.00 0.00 N ATOM 9 CA VAL A 2 -30.443 -32.584 92.294 1.00 0.00 C ATOM 10 C VAL A 2 -30.082 -31.126 92.525 1.00 0.00 C ATOM 11 O VAL A 2 -29.738 -30.400 91.593 1.00 0.00 O ATOM 12 CB VAL A 2 -31.979 -32.698 92.299 1.00 0.00 C ATOM 13 CG1 VAL A 2 -32.592 -31.675 91.355 1.00 0.00 C ATOM 14 CG2 VAL A 2 -32.412 -34.085 91.851 1.00 0.00 C ATOM 0 H VAL A 2 -30.512 -33.834 93.973 1.00 0.00 H new ATOM 0 HA VAL A 2 -30.055 -32.926 91.335 1.00 0.00 H new ATOM 0 HB VAL A 2 -32.322 -32.514 93.317 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -33.678 -31.770 91.371 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -32.311 -30.671 91.674 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -32.228 -31.850 90.343 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -33.500 -34.147 91.861 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -32.047 -34.272 90.841 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -32.000 -34.832 92.530 1.00 0.00 H new ATOM 24 N ILE A 3 -30.166 -30.706 93.784 1.00 0.00 N ATOM 25 CA ILE A 3 -29.853 -29.334 94.171 1.00 0.00 C ATOM 26 C ILE A 3 -28.375 -29.047 93.963 1.00 0.00 C ATOM 27 O ILE A 3 -27.993 -27.965 93.519 1.00 0.00 O ATOM 28 CB ILE A 3 -30.182 -29.077 95.653 1.00 0.00 C ATOM 29 CG1 ILE A 3 -31.692 -29.149 95.885 1.00 0.00 C ATOM 30 CG2 ILE A 3 -29.694 -27.699 96.076 1.00 0.00 C ATOM 31 CD1 ILE A 3 -32.086 -29.153 97.346 1.00 0.00 C ATOM 0 H ILE A 3 -30.451 -31.303 94.560 1.00 0.00 H new ATOM 0 HA ILE A 3 -30.461 -28.681 93.545 1.00 0.00 H new ATOM 0 HB ILE A 3 -29.680 -29.843 96.244 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -32.167 -28.300 95.393 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -32.080 -30.050 95.411 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -29.935 -27.534 97.126 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -28.615 -27.637 95.937 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -30.182 -26.938 95.468 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -33.171 -29.206 97.430 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -31.642 -30.017 97.840 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -31.729 -28.239 97.822 1.00 0.00 H new ATOM 43 N ASP A 4 -27.546 -30.034 94.291 1.00 0.00 N ATOM 44 CA ASP A 4 -26.098 -29.915 94.151 1.00 0.00 C ATOM 45 C ASP A 4 -25.734 -29.461 92.746 1.00 0.00 C ATOM 46 O ASP A 4 -24.842 -28.637 92.555 1.00 0.00 O ATOM 47 CB ASP A 4 -25.422 -31.262 94.414 1.00 0.00 C ATOM 48 CG ASP A 4 -25.464 -31.659 95.877 1.00 0.00 C ATOM 49 OD1 ASP A 4 -24.816 -32.664 96.238 1.00 0.00 O ATOM 50 OD2 ASP A 4 -26.143 -30.965 96.661 1.00 0.00 O ATOM 0 H ASP A 4 -27.856 -30.933 94.659 1.00 0.00 H new ATOM 0 HA ASP A 4 -25.754 -29.180 94.878 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -25.911 -32.032 93.818 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -24.384 -31.214 94.084 1.00 0.00 H new ATOM 56 N THR A 5 -26.441 -30.014 91.763 1.00 0.00 N ATOM 57 CA THR A 5 -26.213 -29.684 90.359 1.00 0.00 C ATOM 58 C THR A 5 -27.169 -28.591 89.908 1.00 0.00 C ATOM 59 O THR A 5 -27.132 -28.147 88.762 1.00 0.00 O ATOM 60 CB THR A 5 -26.429 -30.908 89.449 1.00 0.00 C ATOM 61 OG1 THR A 5 -27.785 -31.358 89.563 1.00 0.00 O ATOM 62 CG2 THR A 5 -25.498 -32.041 89.851 1.00 0.00 C ATOM 0 H THR A 5 -27.182 -30.698 91.916 1.00 0.00 H new ATOM 0 HA THR A 5 -25.180 -29.347 90.276 1.00 0.00 H new ATOM 0 HB THR A 5 -26.216 -30.617 88.420 1.00 0.00 H new ATOM 0 HG1 THR A 5 -28.226 -30.883 90.298 1.00 0.00 H new ATOM 0 HG21 THR A 5 -25.664 -32.898 89.198 1.00 0.00 H new ATOM 0 HG22 THR A 5 -24.463 -31.711 89.761 1.00 0.00 H new ATOM 0 HG23 THR A 5 -25.698 -32.328 90.883 1.00 0.00 H new ATOM 70 N SER A 6 -28.027 -28.162 90.829 1.00 0.00 N ATOM 71 CA SER A 6 -29.009 -27.117 90.553 1.00 0.00 C ATOM 72 C SER A 6 -28.345 -25.926 89.881 1.00 0.00 C ATOM 73 O SER A 6 -28.695 -25.548 88.764 1.00 0.00 O ATOM 74 CB SER A 6 -29.661 -26.638 91.852 1.00 0.00 C ATOM 75 OG SER A 6 -30.610 -25.616 91.599 1.00 0.00 O ATOM 0 H SER A 6 -28.062 -28.526 91.781 1.00 0.00 H new ATOM 0 HA SER A 6 -29.766 -27.539 89.893 1.00 0.00 H new ATOM 0 HB2 SER A 6 -30.149 -27.477 92.349 1.00 0.00 H new ATOM 0 HB3 SER A 6 -28.894 -26.267 92.532 1.00 0.00 H new ATOM 0 HG SER A 6 -31.014 -25.328 92.444 1.00 0.00 H new ATOM 81 N ALA A 7 -27.378 -25.338 90.580 1.00 0.00 N ATOM 82 CA ALA A 7 -26.643 -24.182 90.074 1.00 0.00 C ATOM 83 C ALA A 7 -25.930 -24.530 88.777 1.00 0.00 C ATOM 84 O ALA A 7 -25.909 -23.744 87.831 1.00 0.00 O ATOM 85 CB ALA A 7 -25.604 -23.729 91.088 1.00 0.00 C ATOM 0 H ALA A 7 -27.083 -25.646 91.506 1.00 0.00 H new ATOM 0 HA ALA A 7 -27.362 -23.382 89.897 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -25.065 -22.867 90.696 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -26.100 -23.454 92.019 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -24.902 -24.541 91.277 1.00 0.00 H new ATOM 91 N VAL A 8 -25.344 -25.724 88.746 1.00 0.00 N ATOM 92 CA VAL A 8 -24.620 -26.207 87.574 1.00 0.00 C ATOM 93 C VAL A 8 -25.560 -26.347 86.388 1.00 0.00 C ATOM 94 O VAL A 8 -25.217 -25.995 85.260 1.00 0.00 O ATOM 95 CB VAL A 8 -23.978 -27.582 87.834 1.00 0.00 C ATOM 96 CG1 VAL A 8 -23.411 -28.158 86.546 1.00 0.00 C ATOM 97 CG2 VAL A 8 -22.848 -27.460 88.844 1.00 0.00 C ATOM 0 H VAL A 8 -25.357 -26.380 89.527 1.00 0.00 H new ATOM 0 HA VAL A 8 -23.841 -25.476 87.360 1.00 0.00 H new ATOM 0 HB VAL A 8 -24.753 -28.241 88.224 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -22.961 -29.130 86.749 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -24.212 -28.274 85.816 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -22.653 -27.483 86.149 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -22.406 -28.441 89.016 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -22.087 -26.782 88.458 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -23.240 -27.069 89.783 1.00 0.00 H new ATOM 107 N GLU A 9 -26.754 -26.866 86.658 1.00 0.00 N ATOM 108 CA GLU A 9 -27.770 -27.064 85.628 1.00 0.00 C ATOM 109 C GLU A 9 -28.086 -25.751 84.931 1.00 0.00 C ATOM 110 O GLU A 9 -28.284 -25.706 83.718 1.00 0.00 O ATOM 111 CB GLU A 9 -29.061 -27.606 86.246 1.00 0.00 C ATOM 112 CG GLU A 9 -30.154 -27.908 85.234 1.00 0.00 C ATOM 113 CD GLU A 9 -31.398 -28.490 85.876 1.00 0.00 C ATOM 114 OE1 GLU A 9 -31.405 -28.655 87.114 1.00 0.00 O ATOM 115 OE2 GLU A 9 -32.365 -28.781 85.141 1.00 0.00 O ATOM 0 H GLU A 9 -27.044 -27.160 87.591 1.00 0.00 H new ATOM 0 HA GLU A 9 -27.376 -27.780 84.907 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -28.832 -28.516 86.800 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -29.438 -26.881 86.967 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -30.417 -26.992 84.705 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -29.772 -28.607 84.490 1.00 0.00 H new ATOM 123 N SER A 10 -28.130 -24.680 85.717 1.00 0.00 N ATOM 124 CA SER A 10 -28.420 -23.345 85.201 1.00 0.00 C ATOM 125 C SER A 10 -27.171 -22.723 84.600 1.00 0.00 C ATOM 126 O SER A 10 -27.195 -22.192 83.491 1.00 0.00 O ATOM 127 CB SER A 10 -28.921 -22.434 86.323 1.00 0.00 C ATOM 128 OG SER A 10 -30.151 -22.902 86.850 1.00 0.00 O ATOM 0 H SER A 10 -27.967 -24.711 86.723 1.00 0.00 H new ATOM 0 HA SER A 10 -29.189 -23.446 84.435 1.00 0.00 H new ATOM 0 HB2 SER A 10 -28.176 -22.387 87.117 1.00 0.00 H new ATOM 0 HB3 SER A 10 -29.047 -21.420 85.943 1.00 0.00 H new ATOM 0 HG SER A 10 -30.449 -22.303 87.567 1.00 0.00 H new ATOM 134 N ALA A 11 -26.074 -22.796 85.351 1.00 0.00 N ATOM 135 CA ALA A 11 -24.794 -22.246 84.916 1.00 0.00 C ATOM 136 C ALA A 11 -24.261 -23.018 83.720 1.00 0.00 C ATOM 137 O ALA A 11 -23.698 -22.441 82.791 1.00 0.00 O ATOM 138 CB ALA A 11 -23.771 -22.331 86.039 1.00 0.00 C ATOM 0 H ALA A 11 -26.048 -23.235 86.271 1.00 0.00 H new ATOM 0 HA ALA A 11 -24.956 -21.204 84.640 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -22.822 -21.917 85.699 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -24.127 -21.764 86.899 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -23.630 -23.373 86.325 1.00 0.00 H new ATOM 144 N ILE A 12 -24.447 -24.334 83.756 1.00 0.00 N ATOM 145 CA ILE A 12 -23.995 -25.216 82.685 1.00 0.00 C ATOM 146 C ILE A 12 -24.783 -24.954 81.412 1.00 0.00 C ATOM 147 O ILE A 12 -24.218 -24.849 80.324 1.00 0.00 O ATOM 148 CB ILE A 12 -24.179 -26.698 83.059 1.00 0.00 C ATOM 149 CG1 ILE A 12 -23.250 -27.076 84.215 1.00 0.00 C ATOM 150 CG2 ILE A 12 -23.857 -27.592 81.871 1.00 0.00 C ATOM 151 CD1 ILE A 12 -21.781 -26.899 83.900 1.00 0.00 C ATOM 0 H ILE A 12 -24.913 -24.817 84.524 1.00 0.00 H new ATOM 0 HA ILE A 12 -22.936 -25.008 82.529 1.00 0.00 H new ATOM 0 HB ILE A 12 -25.218 -26.840 83.356 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -23.501 -26.469 85.084 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -23.431 -28.115 84.489 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -23.993 -28.636 82.154 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -24.524 -27.351 81.043 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -22.824 -27.431 81.564 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -21.186 -27.187 84.767 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -21.513 -27.527 83.051 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -21.585 -25.855 83.655 1.00 0.00 H new ATOM 163 N THR A 13 -26.100 -24.851 81.563 1.00 0.00 N ATOM 164 CA THR A 13 -26.998 -24.601 80.438 1.00 0.00 C ATOM 165 C THR A 13 -26.724 -23.234 79.832 1.00 0.00 C ATOM 166 O THR A 13 -26.700 -23.072 78.613 1.00 0.00 O ATOM 167 CB THR A 13 -28.474 -24.638 80.875 1.00 0.00 C ATOM 168 OG1 THR A 13 -28.793 -25.940 81.382 1.00 0.00 O ATOM 169 CG2 THR A 13 -29.386 -24.331 79.697 1.00 0.00 C ATOM 0 H THR A 13 -26.573 -24.938 82.462 1.00 0.00 H new ATOM 0 HA THR A 13 -26.815 -25.388 79.706 1.00 0.00 H new ATOM 0 HB THR A 13 -28.624 -23.887 81.650 1.00 0.00 H new ATOM 0 HG1 THR A 13 -28.339 -26.078 82.239 1.00 0.00 H new ATOM 0 HG21 THR A 13 -30.425 -24.361 80.024 1.00 0.00 H new ATOM 0 HG22 THR A 13 -29.157 -23.339 79.308 1.00 0.00 H new ATOM 0 HG23 THR A 13 -29.230 -25.072 78.913 1.00 0.00 H new ATOM 177 N ASP A 14 -26.516 -22.250 80.703 1.00 0.00 N ATOM 178 CA ASP A 14 -26.241 -20.880 80.281 1.00 0.00 C ATOM 179 C ASP A 14 -24.876 -20.791 79.620 1.00 0.00 C ATOM 180 O ASP A 14 -24.732 -20.243 78.528 1.00 0.00 O ATOM 181 CB ASP A 14 -26.258 -19.935 81.484 1.00 0.00 C ATOM 182 CG ASP A 14 -27.654 -19.718 82.035 1.00 0.00 C ATOM 183 OD1 ASP A 14 -27.813 -18.861 82.929 1.00 0.00 O ATOM 184 OD2 ASP A 14 -28.589 -20.405 81.571 1.00 0.00 O ATOM 0 H ASP A 14 -26.533 -22.379 81.715 1.00 0.00 H new ATOM 0 HA ASP A 14 -27.016 -20.589 79.571 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -25.620 -20.341 82.269 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -25.833 -18.974 81.193 1.00 0.00 H new ATOM 190 N GLY A 15 -23.872 -21.340 80.298 1.00 0.00 N ATOM 191 CA GLY A 15 -22.500 -21.338 79.798 1.00 0.00 C ATOM 192 C GLY A 15 -22.286 -22.485 78.823 1.00 0.00 C ATOM 193 O GLY A 15 -22.090 -22.275 77.627 1.00 0.00 O ATOM 0 H GLY A 15 -23.985 -21.796 81.203 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -22.288 -20.389 79.305 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -21.803 -21.427 80.631 1.00 0.00 H new ATOM 197 N GLN A 16 -22.327 -23.704 79.352 1.00 0.00 N ATOM 198 CA GLN A 16 -22.142 -24.909 78.550 1.00 0.00 C ATOM 199 C GLN A 16 -23.020 -24.864 77.310 1.00 0.00 C ATOM 200 O GLN A 16 -22.542 -25.005 76.186 1.00 0.00 O ATOM 201 CB GLN A 16 -22.512 -26.153 79.359 1.00 0.00 C ATOM 202 CG GLN A 16 -22.308 -27.462 78.614 1.00 0.00 C ATOM 203 CD GLN A 16 -20.852 -27.725 78.286 1.00 0.00 C ATOM 204 OE1 GLN A 16 -20.565 -27.948 77.009 1.00 0.00 O flip ATOM 205 NE2 GLN A 16 -19.997 -27.727 79.172 1.00 0.00 N flip ATOM 0 H GLN A 16 -22.488 -23.884 80.343 1.00 0.00 H new ATOM 0 HA GLN A 16 -21.093 -24.956 78.259 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -21.916 -26.170 80.271 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -23.556 -26.079 79.662 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -22.695 -28.283 79.217 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -22.887 -27.444 77.691 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -20.265 -27.550 80.140 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -19.020 -27.905 78.938 1.00 0.00 H new ATOM 214 N GLY A 17 -24.317 -24.665 77.532 1.00 0.00 N ATOM 215 CA GLY A 17 -25.291 -24.596 76.447 1.00 0.00 C ATOM 216 C GLY A 17 -24.837 -23.608 75.385 1.00 0.00 C ATOM 217 O GLY A 17 -24.865 -23.900 74.191 1.00 0.00 O ATOM 0 H GLY A 17 -24.720 -24.548 78.462 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -25.419 -25.583 76.003 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -26.262 -24.295 76.841 1.00 0.00 H new ATOM 221 N ASP A 18 -24.417 -22.430 75.838 1.00 0.00 N ATOM 222 CA ASP A 18 -23.949 -21.373 74.946 1.00 0.00 C ATOM 223 C ASP A 18 -22.818 -21.882 74.067 1.00 0.00 C ATOM 224 O ASP A 18 -22.452 -21.254 73.074 1.00 0.00 O ATOM 225 CB ASP A 18 -23.435 -20.179 75.753 1.00 0.00 C ATOM 226 CG ASP A 18 -24.550 -19.422 76.448 1.00 0.00 C ATOM 227 OD1 ASP A 18 -24.478 -18.176 76.503 1.00 0.00 O ATOM 228 OD2 ASP A 18 -25.496 -20.075 76.937 1.00 0.00 O ATOM 0 H ASP A 18 -24.391 -22.182 76.827 1.00 0.00 H new ATOM 0 HA ASP A 18 -24.790 -21.065 74.325 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -22.720 -20.529 76.497 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -22.899 -19.501 75.090 1.00 0.00 H new ATOM 234 N MET A 19 -22.267 -23.030 74.446 1.00 0.00 N ATOM 235 CA MET A 19 -21.170 -23.651 73.709 1.00 0.00 C ATOM 236 C MET A 19 -21.628 -24.061 72.319 1.00 0.00 C ATOM 237 O MET A 19 -20.919 -23.869 71.333 1.00 0.00 O ATOM 238 CB MET A 19 -20.671 -24.898 74.441 1.00 0.00 C ATOM 239 CG MET A 19 -19.471 -25.563 73.787 1.00 0.00 C ATOM 240 SD MET A 19 -18.905 -27.019 74.688 1.00 0.00 S ATOM 241 CE MET A 19 -18.235 -26.263 76.166 1.00 0.00 C ATOM 0 H MET A 19 -22.565 -23.555 75.268 1.00 0.00 H new ATOM 0 HA MET A 19 -20.365 -22.920 73.633 1.00 0.00 H new ATOM 0 HB2 MET A 19 -20.409 -24.626 75.463 1.00 0.00 H new ATOM 0 HB3 MET A 19 -21.485 -25.621 74.502 1.00 0.00 H new ATOM 0 HG2 MET A 19 -19.730 -25.850 72.768 1.00 0.00 H new ATOM 0 HG3 MET A 19 -18.655 -24.844 73.718 1.00 0.00 H new ATOM 0 HE1 MET A 19 -17.644 -26.997 76.714 1.00 0.00 H new ATOM 0 HE2 MET A 19 -17.601 -25.421 75.889 1.00 0.00 H new ATOM 0 HE3 MET A 19 -19.051 -25.910 76.796 1.00 0.00 H new ATOM 251 N LYS A 20 -22.828 -24.632 72.254 1.00 0.00 N ATOM 252 CA LYS A 20 -23.411 -25.082 70.993 1.00 0.00 C ATOM 253 C LYS A 20 -23.509 -23.926 70.010 1.00 0.00 C ATOM 254 O LYS A 20 -23.225 -24.074 68.823 1.00 0.00 O ATOM 255 CB LYS A 20 -24.816 -25.643 71.222 1.00 0.00 C ATOM 256 CG LYS A 20 -25.476 -26.194 69.969 1.00 0.00 C ATOM 257 CD LYS A 20 -26.843 -26.784 70.279 1.00 0.00 C ATOM 258 CE LYS A 20 -27.509 -27.321 69.023 1.00 0.00 C ATOM 259 NZ LYS A 20 -28.844 -27.914 69.313 1.00 0.00 N ATOM 0 H LYS A 20 -23.420 -24.795 73.068 1.00 0.00 H new ATOM 0 HA LYS A 20 -22.764 -25.860 70.587 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -24.762 -26.435 71.969 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -25.447 -24.856 71.636 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -25.580 -25.399 69.230 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -24.839 -26.960 69.526 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -26.738 -27.586 71.009 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -27.477 -26.021 70.732 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -27.620 -26.515 68.298 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -26.868 -28.075 68.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -29.265 -28.269 68.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -28.736 -28.700 69.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -29.464 -27.188 69.725 1.00 0.00 H new ATOM 273 N ALA A 21 -23.917 -22.768 70.523 1.00 0.00 N ATOM 274 CA ALA A 21 -24.064 -21.564 69.711 1.00 0.00 C ATOM 275 C ALA A 21 -22.705 -21.062 69.253 1.00 0.00 C ATOM 276 O ALA A 21 -22.532 -20.650 68.107 1.00 0.00 O ATOM 277 CB ALA A 21 -24.739 -20.462 70.513 1.00 0.00 C ATOM 0 H ALA A 21 -24.154 -22.638 71.507 1.00 0.00 H new ATOM 0 HA ALA A 21 -24.675 -21.819 68.845 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -24.841 -19.571 69.893 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -25.726 -20.797 70.832 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -24.134 -20.227 71.389 1.00 0.00 H new ATOM 283 N ILE A 22 -21.739 -21.101 70.168 1.00 0.00 N ATOM 284 CA ILE A 22 -20.379 -20.653 69.885 1.00 0.00 C ATOM 285 C ILE A 22 -19.739 -21.533 68.823 1.00 0.00 C ATOM 286 O ILE A 22 -19.174 -21.043 67.847 1.00 0.00 O ATOM 287 CB ILE A 22 -19.493 -20.709 71.143 1.00 0.00 C ATOM 288 CG1 ILE A 22 -19.962 -19.678 72.172 1.00 0.00 C ATOM 289 CG2 ILE A 22 -18.044 -20.412 70.788 1.00 0.00 C ATOM 290 CD1 ILE A 22 -19.309 -19.829 73.529 1.00 0.00 C ATOM 0 H ILE A 22 -21.876 -21.442 71.120 1.00 0.00 H new ATOM 0 HA ILE A 22 -20.451 -19.623 69.536 1.00 0.00 H new ATOM 0 HB ILE A 22 -19.571 -21.712 71.562 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -19.757 -18.678 71.790 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -21.043 -19.760 72.288 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -17.432 -20.456 71.689 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -17.686 -21.150 70.070 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -17.973 -19.416 70.350 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -19.692 -19.064 74.204 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -19.535 -20.816 73.934 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -18.230 -19.717 73.428 1.00 0.00 H new ATOM 302 N GLY A 23 -19.837 -22.843 69.027 1.00 0.00 N ATOM 303 CA GLY A 23 -19.275 -23.822 68.099 1.00 0.00 C ATOM 304 C GLY A 23 -20.009 -23.775 66.768 1.00 0.00 C ATOM 305 O GLY A 23 -19.395 -23.800 65.702 1.00 0.00 O ATOM 0 H GLY A 23 -20.305 -23.255 69.834 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -18.215 -23.619 67.944 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -19.349 -24.822 68.527 1.00 0.00 H new ATOM 309 N GLY A 24 -21.335 -23.706 66.845 1.00 0.00 N ATOM 310 CA GLY A 24 -22.182 -23.655 65.658 1.00 0.00 C ATOM 311 C GLY A 24 -21.985 -22.341 64.919 1.00 0.00 C ATOM 312 O GLY A 24 -21.688 -22.320 63.726 1.00 0.00 O ATOM 0 H GLY A 24 -21.849 -23.684 67.725 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -21.944 -24.489 64.998 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -23.228 -23.764 65.945 1.00 0.00 H new ATOM 316 N TYR A 25 -22.156 -21.241 65.647 1.00 0.00 N ATOM 317 CA TYR A 25 -22.003 -19.902 65.085 1.00 0.00 C ATOM 318 C TYR A 25 -20.628 -19.743 64.456 1.00 0.00 C ATOM 319 O TYR A 25 -20.480 -19.135 63.397 1.00 0.00 O ATOM 320 CB TYR A 25 -22.161 -18.842 66.176 1.00 0.00 C ATOM 321 CG TYR A 25 -22.002 -17.422 65.679 1.00 0.00 C ATOM 322 CD1 TYR A 25 -23.032 -16.789 64.995 1.00 0.00 C ATOM 323 CD2 TYR A 25 -20.823 -16.721 65.896 1.00 0.00 C ATOM 324 CE1 TYR A 25 -22.896 -15.492 64.537 1.00 0.00 C ATOM 325 CE2 TYR A 25 -20.669 -15.424 65.445 1.00 0.00 C ATOM 326 CZ TYR A 25 -21.719 -14.811 64.761 1.00 0.00 C ATOM 327 OH TYR A 25 -21.580 -13.520 64.306 1.00 0.00 O ATOM 0 H TYR A 25 -22.403 -21.252 66.637 1.00 0.00 H new ATOM 0 HA TYR A 25 -22.775 -19.770 64.326 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -23.145 -18.949 66.633 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -21.425 -19.027 66.958 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -23.956 -17.320 64.818 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -20.012 -17.198 66.427 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -23.707 -15.015 64.007 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -19.746 -14.891 65.620 1.00 0.00 H new ATOM 0 HH TYR A 25 -20.692 -13.182 64.546 1.00 0.00 H new ATOM 337 N ILE A 26 -19.622 -20.300 65.124 1.00 0.00 N ATOM 338 CA ILE A 26 -18.242 -20.236 64.652 1.00 0.00 C ATOM 339 C ILE A 26 -18.036 -21.184 63.482 1.00 0.00 C ATOM 340 O ILE A 26 -17.424 -20.829 62.476 1.00 0.00 O ATOM 341 CB ILE A 26 -17.248 -20.628 65.761 1.00 0.00 C ATOM 342 CG1 ILE A 26 -17.263 -19.589 66.883 1.00 0.00 C ATOM 343 CG2 ILE A 26 -15.835 -20.714 65.203 1.00 0.00 C ATOM 344 CD1 ILE A 26 -16.504 -20.016 68.121 1.00 0.00 C ATOM 0 H ILE A 26 -19.739 -20.805 66.002 1.00 0.00 H new ATOM 0 HA ILE A 26 -18.058 -19.206 64.346 1.00 0.00 H new ATOM 0 HB ILE A 26 -17.551 -21.599 66.152 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -16.836 -18.658 66.509 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -18.297 -19.378 67.157 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -15.145 -20.992 66.000 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -15.800 -21.466 64.414 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -15.546 -19.746 64.794 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -16.560 -19.228 68.872 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -16.944 -20.930 68.521 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -15.461 -20.198 67.863 1.00 0.00 H new ATOM 356 N VAL A 27 -18.556 -22.399 63.628 1.00 0.00 N ATOM 357 CA VAL A 27 -18.444 -23.426 62.595 1.00 0.00 C ATOM 358 C VAL A 27 -19.391 -23.128 61.444 1.00 0.00 C ATOM 359 O VAL A 27 -19.117 -23.460 60.292 1.00 0.00 O ATOM 360 CB VAL A 27 -18.792 -24.821 63.146 1.00 0.00 C ATOM 361 CG1 VAL A 27 -18.847 -25.841 62.019 1.00 0.00 C ATOM 362 CG2 VAL A 27 -17.746 -25.273 64.153 1.00 0.00 C ATOM 0 H VAL A 27 -19.064 -22.699 64.460 1.00 0.00 H new ATOM 0 HA VAL A 27 -17.410 -23.418 62.251 1.00 0.00 H new ATOM 0 HB VAL A 27 -19.766 -24.752 63.630 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -19.094 -26.821 62.427 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -19.609 -25.546 61.298 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -17.877 -25.888 61.523 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -18.008 -26.261 64.532 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -16.770 -25.317 63.669 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -17.708 -24.565 64.981 1.00 0.00 H new ATOM 372 N GLY A 28 -20.514 -22.494 61.772 1.00 0.00 N ATOM 373 CA GLY A 28 -21.526 -22.137 60.783 1.00 0.00 C ATOM 374 C GLY A 28 -21.064 -20.948 59.955 1.00 0.00 C ATOM 375 O GLY A 28 -21.515 -20.744 58.829 1.00 0.00 O ATOM 0 H GLY A 28 -20.747 -22.215 62.725 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -21.722 -22.988 60.131 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -22.464 -21.897 61.284 1.00 0.00 H new ATOM 379 N ALA A 29 -20.157 -20.165 60.531 1.00 0.00 N ATOM 380 CA ALA A 29 -19.613 -18.983 59.869 1.00 0.00 C ATOM 381 C ALA A 29 -18.453 -19.366 58.964 1.00 0.00 C ATOM 382 O ALA A 29 -18.234 -18.759 57.917 1.00 0.00 O ATOM 383 CB ALA A 29 -19.111 -17.983 60.899 1.00 0.00 C ATOM 0 H ALA A 29 -19.780 -20.330 61.464 1.00 0.00 H new ATOM 0 HA ALA A 29 -20.411 -18.536 59.276 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -18.708 -17.107 60.390 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -19.936 -17.680 61.544 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -18.329 -18.444 61.502 1.00 0.00 H new ATOM 389 N LEU A 30 -17.710 -20.386 59.385 1.00 0.00 N ATOM 390 CA LEU A 30 -16.560 -20.876 58.630 1.00 0.00 C ATOM 391 C LEU A 30 -16.969 -21.239 57.212 1.00 0.00 C ATOM 392 O LEU A 30 -16.180 -21.130 56.275 1.00 0.00 O ATOM 393 CB LEU A 30 -15.972 -22.121 59.297 1.00 0.00 C ATOM 394 CG LEU A 30 -15.254 -21.901 60.630 1.00 0.00 C ATOM 395 CD1 LEU A 30 -14.834 -23.229 61.240 1.00 0.00 C ATOM 396 CD2 LEU A 30 -14.008 -21.052 60.436 1.00 0.00 C ATOM 0 H LEU A 30 -17.886 -20.893 60.252 1.00 0.00 H new ATOM 0 HA LEU A 30 -15.815 -20.081 58.608 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -16.779 -22.837 59.457 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.270 -22.582 58.602 1.00 0.00 H new ATOM 0 HG LEU A 30 -15.951 -21.391 61.295 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -14.325 -23.050 62.187 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -15.716 -23.845 61.413 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.159 -23.745 60.558 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.513 -20.908 61.396 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.328 -21.556 59.749 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -14.289 -20.083 60.023 1.00 0.00 H new ATOM 408 N VAL A 31 -18.218 -21.672 57.067 1.00 0.00 N ATOM 409 CA VAL A 31 -18.764 -22.060 55.769 1.00 0.00 C ATOM 410 C VAL A 31 -18.608 -20.929 54.767 1.00 0.00 C ATOM 411 O VAL A 31 -18.376 -21.157 53.581 1.00 0.00 O ATOM 412 CB VAL A 31 -20.262 -22.403 55.867 1.00 0.00 C ATOM 413 CG1 VAL A 31 -20.855 -22.599 54.480 1.00 0.00 C ATOM 414 CG2 VAL A 31 -20.465 -23.684 56.662 1.00 0.00 C ATOM 0 H VAL A 31 -18.877 -21.764 57.840 1.00 0.00 H new ATOM 0 HA VAL A 31 -18.210 -22.940 55.442 1.00 0.00 H new ATOM 0 HB VAL A 31 -20.760 -21.574 56.369 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -21.914 -22.841 54.568 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -20.739 -21.682 53.902 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -20.337 -23.415 53.975 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -21.530 -23.911 56.721 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -19.946 -24.505 56.168 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -20.065 -23.555 57.668 1.00 0.00 H new ATOM 424 N ILE A 32 -18.739 -19.701 55.261 1.00 0.00 N ATOM 425 CA ILE A 32 -18.618 -18.507 54.428 1.00 0.00 C ATOM 426 C ILE A 32 -17.202 -18.376 53.890 1.00 0.00 C ATOM 427 O ILE A 32 -16.993 -18.048 52.723 1.00 0.00 O ATOM 428 CB ILE A 32 -18.943 -17.229 55.223 1.00 0.00 C ATOM 429 CG1 ILE A 32 -20.421 -17.208 55.617 1.00 0.00 C ATOM 430 CG2 ILE A 32 -18.650 -15.992 54.387 1.00 0.00 C ATOM 431 CD1 ILE A 32 -20.774 -16.118 56.605 1.00 0.00 C ATOM 0 H ILE A 32 -18.931 -19.505 56.244 1.00 0.00 H new ATOM 0 HA ILE A 32 -19.330 -18.617 53.610 1.00 0.00 H new ATOM 0 HB ILE A 32 -18.320 -17.225 56.118 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -21.025 -17.081 54.719 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -20.687 -18.174 56.046 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -18.886 -15.098 54.965 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -17.595 -15.979 54.113 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -19.259 -16.011 53.483 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -21.838 -16.167 56.836 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -20.197 -16.255 57.520 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -20.541 -15.145 56.172 1.00 0.00 H new ATOM 443 N LEU A 33 -16.230 -18.637 54.760 1.00 0.00 N ATOM 444 CA LEU A 33 -14.818 -18.555 54.399 1.00 0.00 C ATOM 445 C LEU A 33 -14.489 -19.560 53.308 1.00 0.00 C ATOM 446 O LEU A 33 -13.853 -19.229 52.308 1.00 0.00 O ATOM 447 CB LEU A 33 -13.936 -18.853 55.613 1.00 0.00 C ATOM 448 CG LEU A 33 -13.894 -17.778 56.701 1.00 0.00 C ATOM 449 CD1 LEU A 33 -13.088 -18.256 57.899 1.00 0.00 C ATOM 450 CD2 LEU A 33 -13.252 -16.504 56.174 1.00 0.00 C ATOM 0 H LEU A 33 -16.397 -18.909 55.729 1.00 0.00 H new ATOM 0 HA LEU A 33 -14.625 -17.544 54.041 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -14.279 -19.784 56.065 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.918 -19.025 55.263 1.00 0.00 H new ATOM 0 HG LEU A 33 -14.923 -17.579 57.001 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -13.071 -17.476 58.661 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -13.546 -19.155 58.310 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.068 -18.479 57.586 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.232 -15.753 56.964 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.233 -16.717 55.850 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -13.830 -16.128 55.330 1.00 0.00 H new ATOM 462 N ALA A 34 -14.931 -20.797 53.514 1.00 0.00 N ATOM 463 CA ALA A 34 -14.697 -21.878 52.560 1.00 0.00 C ATOM 464 C ALA A 34 -15.292 -21.531 51.205 1.00 0.00 C ATOM 465 O ALA A 34 -14.690 -21.785 50.162 1.00 0.00 O ATOM 466 CB ALA A 34 -15.338 -23.167 53.052 1.00 0.00 C ATOM 0 H ALA A 34 -15.458 -21.078 54.341 1.00 0.00 H new ATOM 0 HA ALA A 34 -13.619 -22.012 52.466 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -15.155 -23.963 52.330 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -14.907 -23.443 54.014 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -16.412 -23.019 53.164 1.00 0.00 H new ATOM 472 N VAL A 35 -16.485 -20.944 51.234 1.00 0.00 N ATOM 473 CA VAL A 35 -17.189 -20.548 50.018 1.00 0.00 C ATOM 474 C VAL A 35 -16.322 -19.626 49.177 1.00 0.00 C ATOM 475 O VAL A 35 -16.239 -19.768 47.958 1.00 0.00 O ATOM 476 CB VAL A 35 -18.498 -19.803 50.341 1.00 0.00 C ATOM 477 CG1 VAL A 35 -19.105 -19.220 49.074 1.00 0.00 C ATOM 478 CG2 VAL A 35 -19.509 -20.750 50.967 1.00 0.00 C ATOM 0 H VAL A 35 -16.988 -20.730 52.095 1.00 0.00 H new ATOM 0 HA VAL A 35 -17.416 -21.463 49.471 1.00 0.00 H new ATOM 0 HB VAL A 35 -18.260 -19.001 51.040 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -20.029 -18.697 49.321 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -18.402 -18.520 48.622 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -19.320 -20.024 48.370 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -20.428 -20.207 51.189 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -19.726 -21.562 50.272 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -19.099 -21.162 51.889 1.00 0.00 H new ATOM 488 N ALA A 36 -15.674 -18.677 49.847 1.00 0.00 N ATOM 489 CA ALA A 36 -14.801 -17.712 49.185 1.00 0.00 C ATOM 490 C ALA A 36 -13.601 -18.413 48.571 1.00 0.00 C ATOM 491 O ALA A 36 -13.236 -18.162 47.423 1.00 0.00 O ATOM 492 CB ALA A 36 -14.298 -16.681 50.183 1.00 0.00 C ATOM 0 H ALA A 36 -15.738 -18.555 50.858 1.00 0.00 H new ATOM 0 HA ALA A 36 -15.380 -17.220 48.403 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -13.649 -15.969 49.674 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.146 -16.152 50.618 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -13.739 -17.182 50.973 1.00 0.00 H new ATOM 498 N GLY A 37 -12.990 -19.299 49.353 1.00 0.00 N ATOM 499 CA GLY A 37 -11.823 -20.056 48.912 1.00 0.00 C ATOM 500 C GLY A 37 -12.081 -20.687 47.553 1.00 0.00 C ATOM 501 O GLY A 37 -11.378 -20.415 46.581 1.00 0.00 O ATOM 0 H GLY A 37 -13.288 -19.511 50.305 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.956 -19.398 48.856 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.588 -20.831 49.641 1.00 0.00 H new ATOM 505 N LEU A 38 -13.103 -21.536 47.499 1.00 0.00 N ATOM 506 CA LEU A 38 -13.481 -22.226 46.268 1.00 0.00 C ATOM 507 C LEU A 38 -13.851 -21.222 45.189 1.00 0.00 C ATOM 508 O LEU A 38 -13.519 -21.396 44.018 1.00 0.00 O ATOM 509 CB LEU A 38 -14.684 -23.139 46.513 1.00 0.00 C ATOM 510 CG LEU A 38 -14.425 -24.390 47.355 1.00 0.00 C ATOM 511 CD1 LEU A 38 -15.724 -25.134 47.626 1.00 0.00 C ATOM 512 CD2 LEU A 38 -13.477 -25.336 46.634 1.00 0.00 C ATOM 0 H LEU A 38 -13.690 -21.765 48.301 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.627 -22.820 45.944 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -15.464 -22.554 47.000 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -15.078 -23.453 45.546 1.00 0.00 H new ATOM 0 HG LEU A 38 -13.981 -24.064 48.295 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -15.517 -26.020 48.226 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -16.411 -24.482 48.166 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -16.176 -25.433 46.680 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -13.306 -26.219 47.250 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -13.916 -25.636 45.683 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -12.528 -24.831 46.452 1.00 0.00 H new ATOM 524 N ILE A 39 -14.545 -20.165 45.600 1.00 0.00 N ATOM 525 CA ILE A 39 -14.977 -19.111 44.687 1.00 0.00 C ATOM 526 C ILE A 39 -13.780 -18.485 43.992 1.00 0.00 C ATOM 527 O ILE A 39 -13.796 -18.252 42.784 1.00 0.00 O ATOM 528 CB ILE A 39 -15.730 -17.993 45.432 1.00 0.00 C ATOM 529 CG1 ILE A 39 -17.064 -18.514 45.968 1.00 0.00 C ATOM 530 CG2 ILE A 39 -16.009 -16.825 44.498 1.00 0.00 C ATOM 531 CD1 ILE A 39 -18.004 -19.011 44.891 1.00 0.00 C ATOM 0 H ILE A 39 -14.823 -20.015 46.570 1.00 0.00 H new ATOM 0 HA ILE A 39 -15.642 -19.576 43.959 1.00 0.00 H new ATOM 0 HB ILE A 39 -15.102 -17.662 46.259 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -16.871 -19.325 46.671 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -17.556 -17.718 46.527 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -16.542 -16.044 45.041 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -15.067 -16.427 44.122 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -16.619 -17.166 43.661 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -18.928 -19.364 45.349 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -18.229 -18.198 44.201 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -17.533 -19.829 44.346 1.00 0.00 H new ATOM 543 N TYR A 40 -12.738 -18.215 44.774 1.00 0.00 N ATOM 544 CA TYR A 40 -11.512 -17.613 44.259 1.00 0.00 C ATOM 545 C TYR A 40 -10.776 -18.590 43.358 1.00 0.00 C ATOM 546 O TYR A 40 -10.258 -18.219 42.306 1.00 0.00 O ATOM 547 CB TYR A 40 -10.582 -17.223 45.410 1.00 0.00 C ATOM 548 CG TYR A 40 -9.296 -16.566 44.962 1.00 0.00 C ATOM 549 CD1 TYR A 40 -9.277 -15.233 44.571 1.00 0.00 C ATOM 550 CD2 TYR A 40 -8.105 -17.281 44.932 1.00 0.00 C ATOM 551 CE1 TYR A 40 -8.106 -14.624 44.161 1.00 0.00 C ATOM 552 CE2 TYR A 40 -6.925 -16.688 44.525 1.00 0.00 C ATOM 553 CZ TYR A 40 -6.934 -15.349 44.137 1.00 0.00 C ATOM 554 OH TYR A 40 -5.767 -14.745 43.729 1.00 0.00 O ATOM 0 H TYR A 40 -12.719 -18.406 45.776 1.00 0.00 H new ATOM 0 HA TYR A 40 -11.792 -16.725 43.692 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -11.112 -16.544 46.078 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -10.341 -18.115 45.988 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -10.194 -14.662 44.588 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -8.101 -18.318 45.232 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -8.109 -13.586 43.861 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -6.006 -17.255 44.508 1.00 0.00 H new ATOM 0 HH TYR A 40 -5.032 -15.392 43.771 1.00 0.00 H new ATOM 564 N SER A 41 -10.736 -19.849 43.786 1.00 0.00 N ATOM 565 CA SER A 41 -10.069 -20.908 43.035 1.00 0.00 C ATOM 566 C SER A 41 -10.692 -21.058 41.657 1.00 0.00 C ATOM 567 O SER A 41 -9.997 -21.081 40.643 1.00 0.00 O ATOM 568 CB SER A 41 -10.192 -22.245 43.769 1.00 0.00 C ATOM 569 OG SER A 41 -9.487 -22.219 44.998 1.00 0.00 O ATOM 0 H SER A 41 -11.162 -20.162 44.658 1.00 0.00 H new ATOM 0 HA SER A 41 -9.018 -20.634 42.938 1.00 0.00 H new ATOM 0 HB2 SER A 41 -11.243 -22.467 43.954 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.803 -23.046 43.140 1.00 0.00 H new ATOM 0 HG SER A 41 -9.973 -21.662 45.642 1.00 0.00 H new ATOM 575 N MET A 42 -12.018 -21.161 41.635 1.00 0.00 N ATOM 576 CA MET A 42 -12.768 -21.311 40.391 1.00 0.00 C ATOM 577 C MET A 42 -12.604 -20.078 39.518 1.00 0.00 C ATOM 578 O MET A 42 -12.444 -20.175 38.302 1.00 0.00 O ATOM 579 CB MET A 42 -14.258 -21.502 40.683 1.00 0.00 C ATOM 580 CG MET A 42 -15.106 -21.750 39.446 1.00 0.00 C ATOM 581 SD MET A 42 -16.848 -22.001 39.837 1.00 0.00 S ATOM 582 CE MET A 42 -17.325 -20.347 40.333 1.00 0.00 C ATOM 0 H MET A 42 -12.600 -21.143 42.473 1.00 0.00 H new ATOM 0 HA MET A 42 -12.377 -22.186 39.872 1.00 0.00 H new ATOM 0 HB2 MET A 42 -14.378 -22.342 41.367 1.00 0.00 H new ATOM 0 HB3 MET A 42 -14.633 -20.616 41.196 1.00 0.00 H new ATOM 0 HG2 MET A 42 -15.008 -20.903 38.767 1.00 0.00 H new ATOM 0 HG3 MET A 42 -14.726 -22.625 38.919 1.00 0.00 H new ATOM 0 HE1 MET A 42 -18.412 -20.276 40.366 1.00 0.00 H new ATOM 0 HE2 MET A 42 -16.917 -20.132 41.321 1.00 0.00 H new ATOM 0 HE3 MET A 42 -16.936 -19.625 39.615 1.00 0.00 H new ATOM 592 N LEU A 43 -12.645 -18.912 40.157 1.00 0.00 N ATOM 593 CA LEU A 43 -12.503 -17.636 39.463 1.00 0.00 C ATOM 594 C LEU A 43 -11.053 -17.401 39.072 1.00 0.00 C ATOM 595 O LEU A 43 -10.760 -16.911 37.983 1.00 0.00 O ATOM 596 CB LEU A 43 -12.954 -16.484 40.363 1.00 0.00 C ATOM 597 CG LEU A 43 -14.456 -16.387 40.640 1.00 0.00 C ATOM 598 CD1 LEU A 43 -14.748 -15.282 41.643 1.00 0.00 C ATOM 599 CD2 LEU A 43 -15.220 -16.082 39.360 1.00 0.00 C ATOM 0 H LEU A 43 -12.777 -18.825 41.165 1.00 0.00 H new ATOM 0 HA LEU A 43 -13.126 -17.673 38.569 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.435 -16.573 41.318 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -12.629 -15.548 39.909 1.00 0.00 H new ATOM 0 HG LEU A 43 -14.776 -17.348 41.043 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -15.821 -15.230 41.825 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -14.231 -15.494 42.579 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -14.401 -14.328 41.245 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -16.286 -16.017 39.579 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -14.876 -15.133 38.948 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -15.046 -16.877 38.634 1.00 0.00 H new ATOM 611 N ARG A 44 -10.148 -17.759 39.978 1.00 0.00 N ATOM 612 CA ARG A 44 -8.715 -17.598 39.755 1.00 0.00 C ATOM 613 C ARG A 44 -8.170 -18.756 38.934 1.00 0.00 C ATOM 614 O ARG A 44 -7.247 -18.593 38.138 1.00 0.00 O ATOM 615 CB ARG A 44 -7.966 -17.557 41.089 1.00 0.00 C ATOM 616 CG ARG A 44 -6.474 -17.299 40.955 1.00 0.00 C ATOM 617 CD ARG A 44 -6.200 -15.900 40.430 1.00 0.00 C ATOM 618 NE ARG A 44 -4.769 -15.630 40.312 1.00 0.00 N ATOM 619 CZ ARG A 44 -4.258 -14.552 39.726 1.00 0.00 C ATOM 620 NH1 ARG A 44 -5.063 -13.638 39.203 1.00 0.00 N ATOM 621 NH2 ARG A 44 -2.943 -14.391 39.665 1.00 0.00 N ATOM 0 H ARG A 44 -10.385 -18.167 40.882 1.00 0.00 H new ATOM 0 HA ARG A 44 -8.566 -16.661 39.218 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -8.403 -16.780 41.715 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -8.115 -18.505 41.606 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -5.992 -17.427 41.924 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -6.035 -18.035 40.281 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -6.673 -15.779 39.456 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -6.653 -15.167 41.097 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.121 -16.313 40.704 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -6.074 -13.762 39.250 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.671 -12.811 38.753 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.324 -15.094 40.068 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.551 -13.564 39.215 1.00 0.00 H new ATOM 635 N LYS A 45 -8.758 -19.931 39.140 1.00 0.00 N ATOM 636 CA LYS A 45 -8.352 -21.141 38.430 1.00 0.00 C ATOM 637 C LYS A 45 -8.822 -21.094 36.986 1.00 0.00 C ATOM 638 O LYS A 45 -8.066 -21.387 36.061 1.00 0.00 O ATOM 639 CB LYS A 45 -8.955 -22.380 39.095 1.00 0.00 C ATOM 640 CG LYS A 45 -8.541 -23.693 38.451 1.00 0.00 C ATOM 641 CD LYS A 45 -9.130 -24.882 39.193 1.00 0.00 C ATOM 642 CE LYS A 45 -8.728 -26.195 38.541 1.00 0.00 C ATOM 643 NZ LYS A 45 -9.288 -27.369 39.265 1.00 0.00 N ATOM 0 H LYS A 45 -9.524 -20.072 39.799 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.264 -21.196 38.463 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.662 -22.394 40.145 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.042 -22.301 39.068 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.870 -23.711 37.412 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.454 -23.769 38.442 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.793 -24.870 40.229 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -10.217 -24.800 39.211 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.073 -26.208 37.507 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.641 -26.269 38.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.991 -28.245 38.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.939 -27.372 40.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.326 -27.312 39.268 1.00 0.00 H new ATOM 657 N ALA A 46 -10.086 -20.721 36.805 1.00 0.00 N ATOM 658 CA ALA A 46 -10.689 -20.625 35.479 1.00 0.00 C ATOM 659 C ALA A 46 -12.138 -20.173 35.603 1.00 0.00 C ATOM 660 O ALA A 46 -12.629 -19.949 36.706 1.00 0.00 O ATOM 661 CB ALA A 46 -10.603 -21.979 34.782 1.00 0.00 C ATOM 0 H ALA A 46 -10.718 -20.478 37.568 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.149 -19.890 34.882 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.053 -21.908 33.792 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.558 -22.273 34.685 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.137 -22.726 35.370 1.00 0.00 H new