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= -1.96 K(o=-3.2,f=-1.1) USER MOD Set 1.2: A 19 MET CE :methyl -171:sc= -1.19 (180deg=-0.318) USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.162 (180deg=-0.668) USER MOD Single : A 5 THR OG1 : rot -10:sc= 0.284 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 113:sc= 0.953 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= 0.301 USER MOD Single : A 42 MET CE :methyl 166:sc= -0.0104 (180deg=-0.241) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -29.062 -28.051 62.572 1.00 0.00 N ATOM 2 CA GLY A 1 -30.429 -27.574 62.615 1.00 0.00 C ATOM 3 C GLY A 1 -30.671 -26.586 61.485 1.00 0.00 C ATOM 4 O GLY A 1 -29.774 -26.296 60.698 1.00 0.00 O ATOM 0 H1 GLY A 1 -29.053 -29.088 62.653 1.00 0.00 H new ATOM 0 H2 GLY A 1 -28.625 -27.770 61.671 1.00 0.00 H new ATOM 0 H3 GLY A 1 -28.525 -27.638 63.361 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -31.119 -28.414 62.529 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -30.626 -27.097 63.575 1.00 0.00 H new ATOM 8 N VAL A 2 -31.898 -26.076 61.420 1.00 0.00 N ATOM 9 CA VAL A 2 -32.289 -25.114 60.394 1.00 0.00 C ATOM 10 C VAL A 2 -31.602 -23.779 60.625 1.00 0.00 C ATOM 11 O VAL A 2 -31.099 -23.152 59.693 1.00 0.00 O ATOM 12 CB VAL A 2 -33.810 -24.870 60.399 1.00 0.00 C ATOM 13 CG1 VAL A 2 -34.170 -23.733 59.455 1.00 0.00 C ATOM 14 CG2 VAL A 2 -34.551 -26.120 59.950 1.00 0.00 C ATOM 0 H VAL A 2 -32.645 -26.316 62.072 1.00 0.00 H new ATOM 0 HA VAL A 2 -31.990 -25.537 59.435 1.00 0.00 H new ATOM 0 HB VAL A 2 -34.102 -24.612 61.417 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -35.248 -23.574 59.471 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -33.664 -22.822 59.774 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -33.856 -23.987 58.443 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -35.624 -25.930 59.959 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -34.238 -26.385 58.940 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -34.322 -26.942 60.628 1.00 0.00 H new ATOM 24 N ILE A 3 -31.586 -23.350 61.884 1.00 0.00 N ATOM 25 CA ILE A 3 -30.965 -22.088 62.271 1.00 0.00 C ATOM 26 C ILE A 3 -29.460 -22.149 62.063 1.00 0.00 C ATOM 27 O ILE A 3 -28.840 -21.185 61.619 1.00 0.00 O ATOM 28 CB ILE A 3 -31.225 -21.762 63.754 1.00 0.00 C ATOM 29 CG1 ILE A 3 -32.711 -21.484 63.986 1.00 0.00 C ATOM 30 CG2 ILE A 3 -30.433 -20.534 64.176 1.00 0.00 C ATOM 31 CD1 ILE A 3 -33.096 -21.397 65.446 1.00 0.00 C ATOM 0 H ILE A 3 -32.001 -23.865 62.661 1.00 0.00 H new ATOM 0 HA ILE A 3 -31.407 -21.313 61.645 1.00 0.00 H new ATOM 0 HB ILE A 3 -30.913 -22.623 64.345 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -32.977 -20.549 63.494 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -33.297 -22.272 63.512 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -30.629 -20.318 65.226 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -29.368 -20.722 64.036 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -30.734 -19.681 63.568 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -34.164 -21.198 65.529 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -32.863 -22.340 65.941 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -32.539 -20.590 65.922 1.00 0.00 H new ATOM 43 N ASP A 4 -28.882 -23.301 62.391 1.00 0.00 N ATOM 44 CA ASP A 4 -27.445 -23.519 62.251 1.00 0.00 C ATOM 45 C ASP A 4 -26.987 -23.162 60.846 1.00 0.00 C ATOM 46 O ASP A 4 -25.928 -22.565 60.655 1.00 0.00 O ATOM 47 CB ASP A 4 -27.097 -24.985 62.515 1.00 0.00 C ATOM 48 CG ASP A 4 -27.229 -25.361 63.978 1.00 0.00 C ATOM 49 OD1 ASP A 4 -26.831 -26.488 64.340 1.00 0.00 O ATOM 50 OD2 ASP A 4 -27.731 -24.528 64.762 1.00 0.00 O ATOM 0 H ASP A 4 -29.392 -24.104 62.759 1.00 0.00 H new ATOM 0 HA ASP A 4 -26.940 -22.883 62.978 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -27.750 -25.623 61.919 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -26.076 -25.177 62.185 1.00 0.00 H new ATOM 56 N THR A 5 -27.802 -23.536 59.863 1.00 0.00 N ATOM 57 CA THR A 5 -27.504 -23.268 58.459 1.00 0.00 C ATOM 58 C THR A 5 -28.182 -21.984 58.008 1.00 0.00 C ATOM 59 O THR A 5 -28.043 -21.560 56.862 1.00 0.00 O ATOM 60 CB THR A 5 -27.997 -24.409 57.550 1.00 0.00 C ATOM 61 OG1 THR A 5 -29.420 -24.534 57.664 1.00 0.00 O ATOM 62 CG2 THR A 5 -27.352 -25.727 57.952 1.00 0.00 C ATOM 0 H THR A 5 -28.681 -24.030 60.015 1.00 0.00 H new ATOM 0 HA THR A 5 -26.421 -23.179 58.376 1.00 0.00 H new ATOM 0 HB THR A 5 -27.723 -24.175 56.521 1.00 0.00 H new ATOM 0 HG1 THR A 5 -29.738 -23.983 58.409 1.00 0.00 H new ATOM 0 HG21 THR A 5 -27.712 -26.522 57.299 1.00 0.00 H new ATOM 0 HG22 THR A 5 -26.269 -25.645 57.861 1.00 0.00 H new ATOM 0 HG23 THR A 5 -27.613 -25.960 58.985 1.00 0.00 H new ATOM 70 N SER A 6 -28.918 -21.369 58.929 1.00 0.00 N ATOM 71 CA SER A 6 -29.633 -20.126 58.653 1.00 0.00 C ATOM 72 C SER A 6 -28.712 -19.119 57.981 1.00 0.00 C ATOM 73 O SER A 6 -28.966 -18.671 56.864 1.00 0.00 O ATOM 74 CB SER A 6 -30.157 -19.510 59.952 1.00 0.00 C ATOM 75 OG SER A 6 -30.846 -18.297 59.699 1.00 0.00 O ATOM 0 H SER A 6 -29.036 -21.715 59.881 1.00 0.00 H new ATOM 0 HA SER A 6 -30.467 -20.362 57.992 1.00 0.00 H new ATOM 0 HB2 SER A 6 -30.824 -20.214 60.449 1.00 0.00 H new ATOM 0 HB3 SER A 6 -29.325 -19.325 60.632 1.00 0.00 H new ATOM 0 HG SER A 6 -31.173 -17.924 60.544 1.00 0.00 H new ATOM 81 N ALA A 7 -27.636 -18.770 58.680 1.00 0.00 N ATOM 82 CA ALA A 7 -26.654 -17.815 58.174 1.00 0.00 C ATOM 83 C ALA A 7 -26.040 -18.318 56.877 1.00 0.00 C ATOM 84 O ALA A 7 -25.839 -17.558 55.931 1.00 0.00 O ATOM 85 CB ALA A 7 -25.539 -17.614 59.188 1.00 0.00 C ATOM 0 H ALA A 7 -27.421 -19.138 59.607 1.00 0.00 H new ATOM 0 HA ALA A 7 -27.169 -16.871 57.996 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -24.815 -16.900 58.796 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -25.958 -17.232 60.119 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -25.043 -18.566 59.377 1.00 0.00 H new ATOM 91 N VAL A 8 -25.746 -19.615 56.846 1.00 0.00 N ATOM 92 CA VAL A 8 -25.152 -20.252 55.674 1.00 0.00 C ATOM 93 C VAL A 8 -26.099 -20.171 54.488 1.00 0.00 C ATOM 94 O VAL A 8 -25.684 -19.908 53.360 1.00 0.00 O ATOM 95 CB VAL A 8 -24.845 -21.738 55.934 1.00 0.00 C ATOM 96 CG1 VAL A 8 -24.425 -22.429 54.646 1.00 0.00 C ATOM 97 CG2 VAL A 8 -23.717 -21.880 56.945 1.00 0.00 C ATOM 0 H VAL A 8 -25.911 -20.250 57.627 1.00 0.00 H new ATOM 0 HA VAL A 8 -24.225 -19.721 55.460 1.00 0.00 H new ATOM 0 HB VAL A 8 -25.752 -22.201 56.323 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -24.212 -23.479 54.849 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -25.230 -22.357 53.915 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -23.531 -21.947 54.250 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -23.513 -22.937 57.117 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -22.820 -21.396 56.560 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -24.009 -21.409 57.884 1.00 0.00 H new ATOM 107 N GLU A 9 -27.381 -20.401 54.758 1.00 0.00 N ATOM 108 CA GLU A 9 -28.415 -20.360 53.728 1.00 0.00 C ATOM 109 C GLU A 9 -28.419 -19.009 53.031 1.00 0.00 C ATOM 110 O GLU A 9 -28.602 -18.920 51.818 1.00 0.00 O ATOM 111 CB GLU A 9 -29.796 -20.590 54.346 1.00 0.00 C ATOM 112 CG GLU A 9 -30.929 -20.632 53.333 1.00 0.00 C ATOM 113 CD GLU A 9 -32.274 -20.912 53.976 1.00 0.00 C ATOM 114 OE1 GLU A 9 -32.319 -21.070 55.214 1.00 0.00 O ATOM 115 OE2 GLU A 9 -33.282 -20.972 53.241 1.00 0.00 O ATOM 0 H GLU A 9 -27.731 -20.620 55.691 1.00 0.00 H new ATOM 0 HA GLU A 9 -28.197 -21.147 53.007 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -29.783 -21.529 54.900 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -29.996 -19.797 55.067 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -30.974 -19.680 52.804 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -30.719 -21.401 52.589 1.00 0.00 H new ATOM 123 N SER A 10 -28.215 -17.956 53.817 1.00 0.00 N ATOM 124 CA SER A 10 -28.190 -16.591 53.301 1.00 0.00 C ATOM 125 C SER A 10 -26.831 -16.273 52.700 1.00 0.00 C ATOM 126 O SER A 10 -26.731 -15.751 51.591 1.00 0.00 O ATOM 127 CB SER A 10 -28.468 -15.589 54.423 1.00 0.00 C ATOM 128 OG SER A 10 -29.773 -15.762 54.949 1.00 0.00 O ATOM 0 H SER A 10 -28.063 -18.024 54.823 1.00 0.00 H new ATOM 0 HA SER A 10 -28.961 -16.512 52.534 1.00 0.00 H new ATOM 0 HB2 SER A 10 -27.733 -15.715 55.218 1.00 0.00 H new ATOM 0 HB3 SER A 10 -28.357 -14.573 54.044 1.00 0.00 H new ATOM 0 HG SER A 10 -29.926 -15.111 55.666 1.00 0.00 H new ATOM 134 N ALA A 11 -25.781 -16.597 53.451 1.00 0.00 N ATOM 135 CA ALA A 11 -24.408 -16.358 53.016 1.00 0.00 C ATOM 136 C ALA A 11 -24.067 -17.231 51.820 1.00 0.00 C ATOM 137 O ALA A 11 -23.386 -16.801 50.891 1.00 0.00 O ATOM 138 CB ALA A 11 -23.433 -16.678 54.139 1.00 0.00 C ATOM 0 H ALA A 11 -25.857 -17.030 54.372 1.00 0.00 H new ATOM 0 HA ALA A 11 -24.325 -15.307 52.740 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -22.414 -16.495 53.799 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -23.648 -16.044 54.999 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -23.538 -17.725 54.424 1.00 0.00 H new ATOM 144 N ILE A 12 -24.552 -18.469 51.856 1.00 0.00 N ATOM 145 CA ILE A 12 -24.315 -19.432 50.785 1.00 0.00 C ATOM 146 C ILE A 12 -25.022 -18.996 49.512 1.00 0.00 C ATOM 147 O ILE A 12 -24.448 -19.024 48.424 1.00 0.00 O ATOM 148 CB ILE A 12 -24.835 -20.832 51.160 1.00 0.00 C ATOM 149 CG1 ILE A 12 -24.018 -21.413 52.316 1.00 0.00 C ATOM 150 CG2 ILE A 12 -24.727 -21.776 49.972 1.00 0.00 C ATOM 151 CD1 ILE A 12 -22.547 -21.579 52.001 1.00 0.00 C ATOM 0 H ILE A 12 -25.117 -18.831 52.624 1.00 0.00 H new ATOM 0 HA ILE A 12 -23.237 -19.474 50.629 1.00 0.00 H new ATOM 0 HB ILE A 12 -25.879 -20.731 51.458 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -24.123 -20.764 53.185 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -24.433 -22.383 52.591 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -25.099 -22.761 50.255 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -25.320 -21.388 49.144 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -23.684 -21.856 49.665 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -22.034 -21.996 52.868 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -22.430 -22.253 51.152 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -22.116 -20.608 51.756 1.00 0.00 H new ATOM 163 N THR A 13 -26.280 -18.591 49.663 1.00 0.00 N ATOM 164 CA THR A 13 -27.095 -18.141 48.538 1.00 0.00 C ATOM 165 C THR A 13 -26.514 -16.874 47.932 1.00 0.00 C ATOM 166 O THR A 13 -26.453 -16.722 46.713 1.00 0.00 O ATOM 167 CB THR A 13 -28.540 -17.837 48.974 1.00 0.00 C ATOM 168 OG1 THR A 13 -29.151 -19.031 49.481 1.00 0.00 O ATOM 169 CG2 THR A 13 -29.357 -17.329 47.796 1.00 0.00 C ATOM 0 H THR A 13 -26.761 -18.565 50.562 1.00 0.00 H new ATOM 0 HA THR A 13 -27.097 -18.949 47.806 1.00 0.00 H new ATOM 0 HB THR A 13 -28.513 -17.071 49.749 1.00 0.00 H new ATOM 0 HG1 THR A 13 -29.318 -18.931 50.441 1.00 0.00 H new ATOM 0 HG21 THR A 13 -30.375 -17.119 48.123 1.00 0.00 H new ATOM 0 HG22 THR A 13 -28.906 -16.416 47.407 1.00 0.00 H new ATOM 0 HG23 THR A 13 -29.376 -18.087 47.013 1.00 0.00 H new ATOM 177 N ASP A 14 -26.085 -15.964 48.803 1.00 0.00 N ATOM 178 CA ASP A 14 -25.501 -14.695 48.381 1.00 0.00 C ATOM 179 C ASP A 14 -24.152 -14.923 47.720 1.00 0.00 C ATOM 180 O ASP A 14 -23.886 -14.423 46.628 1.00 0.00 O ATOM 181 CB ASP A 14 -25.300 -13.771 49.584 1.00 0.00 C ATOM 182 CG ASP A 14 -26.608 -13.238 50.134 1.00 0.00 C ATOM 183 OD1 ASP A 14 -26.565 -12.367 51.029 1.00 0.00 O ATOM 184 OD2 ASP A 14 -27.676 -13.690 49.671 1.00 0.00 O ATOM 0 H ASP A 14 -26.132 -16.085 49.815 1.00 0.00 H new ATOM 0 HA ASP A 14 -26.187 -14.234 47.671 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -24.774 -14.313 50.370 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -24.665 -12.935 49.293 1.00 0.00 H new ATOM 190 N GLY A 15 -23.302 -15.688 48.398 1.00 0.00 N ATOM 191 CA GLY A 15 -21.966 -16.003 47.898 1.00 0.00 C ATOM 192 C GLY A 15 -22.023 -17.168 46.923 1.00 0.00 C ATOM 193 O GLY A 15 -21.783 -17.009 45.727 1.00 0.00 O ATOM 0 H GLY A 15 -23.517 -16.105 49.304 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -21.540 -15.129 47.405 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -21.308 -16.250 48.731 1.00 0.00 H new ATOM 197 N GLN A 16 -22.344 -18.345 47.452 1.00 0.00 N ATOM 198 CA GLN A 16 -22.441 -19.561 46.650 1.00 0.00 C ATOM 199 C GLN A 16 -23.286 -19.314 45.410 1.00 0.00 C ATOM 200 O GLN A 16 -22.853 -19.562 44.286 1.00 0.00 O ATOM 201 CB GLN A 16 -23.087 -20.687 47.460 1.00 0.00 C ATOM 202 CG GLN A 16 -23.189 -22.008 46.715 1.00 0.00 C ATOM 203 CD GLN A 16 -21.832 -22.598 46.387 1.00 0.00 C ATOM 204 OE1 GLN A 16 -21.001 -22.797 47.273 1.00 0.00 O ATOM 205 NE2 GLN A 16 -21.604 -22.881 45.110 1.00 0.00 N ATOM 0 H GLN A 16 -22.543 -18.483 48.443 1.00 0.00 H new ATOM 0 HA GLN A 16 -21.431 -19.849 46.358 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -22.511 -20.840 48.372 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -24.086 -20.375 47.763 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -23.754 -22.719 47.318 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -23.749 -21.858 45.792 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -22.324 -22.698 44.411 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -20.709 -23.281 44.828 1.00 0.00 H new ATOM 214 N GLY A 17 -24.501 -18.821 45.632 1.00 0.00 N ATOM 215 CA GLY A 17 -25.434 -18.529 44.547 1.00 0.00 C ATOM 216 C GLY A 17 -24.764 -17.673 43.485 1.00 0.00 C ATOM 217 O GLY A 17 -24.859 -17.950 42.291 1.00 0.00 O ATOM 0 H GLY A 17 -24.865 -18.614 46.562 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -25.787 -19.460 44.103 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -26.309 -18.012 44.941 1.00 0.00 H new ATOM 221 N ASP A 18 -24.084 -16.623 43.938 1.00 0.00 N ATOM 222 CA ASP A 18 -23.384 -15.703 43.046 1.00 0.00 C ATOM 223 C ASP A 18 -22.401 -16.459 42.167 1.00 0.00 C ATOM 224 O ASP A 18 -21.901 -15.932 41.174 1.00 0.00 O ATOM 225 CB ASP A 18 -22.608 -14.660 43.853 1.00 0.00 C ATOM 226 CG ASP A 18 -23.518 -13.666 44.547 1.00 0.00 C ATOM 227 OD1 ASP A 18 -23.160 -12.471 44.602 1.00 0.00 O ATOM 228 OD2 ASP A 18 -24.590 -14.082 45.036 1.00 0.00 O ATOM 0 H ASP A 18 -24.003 -16.387 44.927 1.00 0.00 H new ATOM 0 HA ASP A 18 -24.132 -15.209 42.425 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -21.993 -15.166 44.598 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -21.929 -14.124 43.190 1.00 0.00 H new ATOM 234 N MET A 19 -22.130 -17.704 42.546 1.00 0.00 N ATOM 235 CA MET A 19 -21.206 -18.561 41.809 1.00 0.00 C ATOM 236 C MET A 19 -21.746 -18.854 40.419 1.00 0.00 C ATOM 237 O MET A 19 -21.012 -18.830 39.433 1.00 0.00 O ATOM 238 CB MET A 19 -21.008 -19.890 42.541 1.00 0.00 C ATOM 239 CG MET A 19 -19.994 -20.814 41.887 1.00 0.00 C ATOM 240 SD MET A 19 -19.780 -22.361 42.787 1.00 0.00 S ATOM 241 CE MET A 19 -18.953 -21.781 44.266 1.00 0.00 C ATOM 0 H MET A 19 -22.542 -18.146 43.368 1.00 0.00 H new ATOM 0 HA MET A 19 -20.254 -18.035 41.733 1.00 0.00 H new ATOM 0 HB2 MET A 19 -20.691 -19.685 43.563 1.00 0.00 H new ATOM 0 HB3 MET A 19 -21.967 -20.405 42.602 1.00 0.00 H new ATOM 0 HG2 MET A 19 -20.312 -21.033 40.868 1.00 0.00 H new ATOM 0 HG3 MET A 19 -19.034 -20.303 41.818 1.00 0.00 H new ATOM 0 HE1 MET A 19 -18.610 -22.635 44.850 1.00 0.00 H new ATOM 0 HE2 MET A 19 -18.098 -21.165 43.987 1.00 0.00 H new ATOM 0 HE3 MET A 19 -19.647 -21.189 44.863 1.00 0.00 H new ATOM 251 N LYS A 20 -23.045 -19.132 40.354 1.00 0.00 N ATOM 252 CA LYS A 20 -23.716 -19.436 39.093 1.00 0.00 C ATOM 253 C LYS A 20 -23.545 -18.288 38.110 1.00 0.00 C ATOM 254 O LYS A 20 -23.303 -18.499 36.923 1.00 0.00 O ATOM 255 CB LYS A 20 -25.212 -19.658 39.322 1.00 0.00 C ATOM 256 CG LYS A 20 -25.982 -20.043 38.069 1.00 0.00 C ATOM 257 CD LYS A 20 -27.447 -20.303 38.379 1.00 0.00 C ATOM 258 CE LYS A 20 -28.220 -20.673 37.123 1.00 0.00 C ATOM 259 NZ LYS A 20 -29.655 -20.942 37.413 1.00 0.00 N ATOM 0 H LYS A 20 -23.659 -19.153 41.168 1.00 0.00 H new ATOM 0 HA LYS A 20 -23.266 -20.342 38.687 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -25.342 -20.440 40.070 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -25.644 -18.747 39.735 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -25.900 -19.246 37.330 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -25.538 -20.935 37.626 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -27.529 -21.108 39.109 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -27.888 -19.415 38.832 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -28.142 -19.864 36.397 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -27.770 -21.555 36.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -30.147 -21.191 36.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -29.731 -21.731 38.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -30.091 -20.092 37.825 1.00 0.00 H new ATOM 273 N ALA A 21 -23.676 -17.068 38.623 1.00 0.00 N ATOM 274 CA ALA A 21 -23.541 -15.862 37.811 1.00 0.00 C ATOM 275 C ALA A 21 -22.102 -15.687 37.353 1.00 0.00 C ATOM 276 O ALA A 21 -21.839 -15.327 36.207 1.00 0.00 O ATOM 277 CB ALA A 21 -23.944 -14.635 38.614 1.00 0.00 C ATOM 0 H ALA A 21 -23.877 -16.888 39.607 1.00 0.00 H new ATOM 0 HA ALA A 21 -24.193 -15.968 36.944 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -23.838 -13.744 37.995 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -24.982 -14.734 38.933 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -23.302 -14.547 39.490 1.00 0.00 H new ATOM 283 N ILE A 22 -21.172 -15.948 38.268 1.00 0.00 N ATOM 284 CA ILE A 22 -19.744 -15.826 37.985 1.00 0.00 C ATOM 285 C ILE A 22 -19.325 -16.830 36.923 1.00 0.00 C ATOM 286 O ILE A 22 -18.662 -16.483 35.947 1.00 0.00 O ATOM 287 CB ILE A 22 -18.895 -16.085 39.243 1.00 0.00 C ATOM 288 CG1 ILE A 22 -19.113 -14.974 40.272 1.00 0.00 C ATOM 289 CG2 ILE A 22 -17.417 -16.131 38.889 1.00 0.00 C ATOM 290 CD1 ILE A 22 -18.513 -15.271 41.629 1.00 0.00 C ATOM 0 H ILE A 22 -21.384 -16.248 39.220 1.00 0.00 H new ATOM 0 HA ILE A 22 -19.576 -14.807 37.636 1.00 0.00 H new ATOM 0 HB ILE A 22 -19.203 -17.043 39.661 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -18.683 -14.048 39.890 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -20.183 -14.804 40.388 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -16.833 -16.315 39.790 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -17.239 -16.932 38.172 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -17.118 -15.179 38.451 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -18.709 -14.438 42.304 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -18.961 -16.179 42.034 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -17.437 -15.411 41.528 1.00 0.00 H new ATOM 302 N GLY A 23 -19.722 -18.082 37.127 1.00 0.00 N ATOM 303 CA GLY A 23 -19.401 -19.164 36.199 1.00 0.00 C ATOM 304 C GLY A 23 -20.104 -18.949 34.868 1.00 0.00 C ATOM 305 O GLY A 23 -19.513 -19.114 33.802 1.00 0.00 O ATOM 0 H GLY A 23 -20.272 -18.375 37.934 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -18.323 -19.211 36.044 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -19.704 -20.120 36.627 1.00 0.00 H new ATOM 309 N GLY A 24 -21.378 -18.576 34.945 1.00 0.00 N ATOM 310 CA GLY A 24 -22.192 -18.331 33.758 1.00 0.00 C ATOM 311 C GLY A 24 -21.697 -17.097 33.019 1.00 0.00 C ATOM 312 O GLY A 24 -21.403 -17.146 31.826 1.00 0.00 O ATOM 0 H GLY A 24 -21.873 -18.436 35.826 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -22.153 -19.198 33.098 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -23.235 -18.196 34.046 1.00 0.00 H new ATOM 316 N TYR A 25 -21.609 -15.988 33.747 1.00 0.00 N ATOM 317 CA TYR A 25 -21.151 -14.721 33.185 1.00 0.00 C ATOM 318 C TYR A 25 -19.777 -14.883 32.556 1.00 0.00 C ATOM 319 O TYR A 25 -19.493 -14.325 31.497 1.00 0.00 O ATOM 320 CB TYR A 25 -21.060 -13.652 34.276 1.00 0.00 C ATOM 321 CG TYR A 25 -20.578 -12.309 33.779 1.00 0.00 C ATOM 322 CD1 TYR A 25 -21.433 -11.454 33.095 1.00 0.00 C ATOM 323 CD2 TYR A 25 -19.268 -11.898 33.995 1.00 0.00 C ATOM 324 CE1 TYR A 25 -21.001 -10.224 32.637 1.00 0.00 C ATOM 325 CE2 TYR A 25 -18.819 -10.672 33.545 1.00 0.00 C ATOM 326 CZ TYR A 25 -19.698 -9.834 32.861 1.00 0.00 C ATOM 327 OH TYR A 25 -19.266 -8.610 32.405 1.00 0.00 O ATOM 0 H TYR A 25 -21.851 -15.941 34.737 1.00 0.00 H new ATOM 0 HA TYR A 25 -21.871 -14.415 32.426 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -22.042 -13.528 34.732 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -20.387 -14.002 35.058 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -22.455 -11.756 32.918 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -18.589 -12.549 34.525 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -21.680 -9.572 32.107 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -17.798 -10.366 33.721 1.00 0.00 H new ATOM 0 HH TYR A 25 -18.324 -8.486 32.645 1.00 0.00 H new ATOM 337 N ILE A 26 -18.927 -15.657 33.224 1.00 0.00 N ATOM 338 CA ILE A 26 -17.569 -15.913 32.752 1.00 0.00 C ATOM 339 C ILE A 26 -17.587 -16.883 31.582 1.00 0.00 C ATOM 340 O ILE A 26 -16.910 -16.679 30.576 1.00 0.00 O ATOM 341 CB ILE A 26 -16.692 -16.524 33.861 1.00 0.00 C ATOM 342 CG1 ILE A 26 -16.468 -15.509 34.983 1.00 0.00 C ATOM 343 CG2 ILE A 26 -15.337 -16.933 33.303 1.00 0.00 C ATOM 344 CD1 ILE A 26 -15.828 -16.099 36.221 1.00 0.00 C ATOM 0 H ILE A 26 -19.157 -16.122 34.102 1.00 0.00 H new ATOM 0 HA ILE A 26 -17.153 -14.953 32.447 1.00 0.00 H new ATOM 0 HB ILE A 26 -17.210 -17.400 34.252 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -15.838 -14.701 34.609 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -17.426 -15.066 35.256 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -14.730 -17.363 34.100 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -15.476 -17.672 32.514 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -14.832 -16.057 32.895 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -15.701 -15.319 36.972 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -16.467 -16.887 36.620 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -14.855 -16.517 35.964 1.00 0.00 H new ATOM 356 N VAL A 27 -18.373 -17.945 31.728 1.00 0.00 N ATOM 357 CA VAL A 27 -18.501 -18.970 30.695 1.00 0.00 C ATOM 358 C VAL A 27 -19.354 -18.462 29.544 1.00 0.00 C ATOM 359 O VAL A 27 -19.164 -18.848 28.392 1.00 0.00 O ATOM 360 CB VAL A 27 -19.162 -20.247 31.246 1.00 0.00 C ATOM 361 CG1 VAL A 27 -19.450 -21.227 30.119 1.00 0.00 C ATOM 362 CG2 VAL A 27 -18.247 -20.928 32.253 1.00 0.00 C ATOM 0 H VAL A 27 -18.937 -18.120 32.560 1.00 0.00 H new ATOM 0 HA VAL A 27 -17.493 -19.201 30.351 1.00 0.00 H new ATOM 0 HB VAL A 27 -20.094 -19.956 31.730 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -19.917 -22.123 30.527 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -20.123 -20.764 29.397 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -18.517 -21.497 29.624 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -18.730 -21.829 32.632 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -17.308 -21.196 31.768 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -18.047 -20.248 33.081 1.00 0.00 H new ATOM 372 N GLY A 28 -20.300 -17.586 29.872 1.00 0.00 N ATOM 373 CA GLY A 28 -21.203 -17.006 28.883 1.00 0.00 C ATOM 374 C GLY A 28 -20.480 -15.955 28.055 1.00 0.00 C ATOM 375 O GLY A 28 -20.871 -15.653 26.929 1.00 0.00 O ATOM 0 H GLY A 28 -20.461 -17.260 30.825 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -21.589 -17.789 28.231 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -22.061 -16.557 29.384 1.00 0.00 H new ATOM 379 N ALA A 29 -19.416 -15.402 28.631 1.00 0.00 N ATOM 380 CA ALA A 29 -18.615 -14.377 27.969 1.00 0.00 C ATOM 381 C ALA A 29 -17.573 -15.018 27.064 1.00 0.00 C ATOM 382 O ALA A 29 -17.221 -14.478 26.017 1.00 0.00 O ATOM 383 CB ALA A 29 -17.897 -13.518 28.999 1.00 0.00 C ATOM 0 H ALA A 29 -19.086 -15.650 29.564 1.00 0.00 H new ATOM 0 HA ALA A 29 -19.288 -13.758 27.376 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -17.304 -12.758 28.490 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -18.630 -13.034 29.644 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -17.241 -14.146 29.603 1.00 0.00 H new ATOM 389 N LEU A 30 -17.086 -16.181 27.485 1.00 0.00 N ATOM 390 CA LEU A 30 -16.080 -16.924 26.730 1.00 0.00 C ATOM 391 C LEU A 30 -16.562 -17.182 25.312 1.00 0.00 C ATOM 392 O LEU A 30 -15.769 -17.258 24.375 1.00 0.00 O ATOM 393 CB LEU A 30 -15.796 -18.271 27.397 1.00 0.00 C ATOM 394 CG LEU A 30 -15.048 -18.224 28.730 1.00 0.00 C ATOM 395 CD1 LEU A 30 -14.947 -19.613 29.341 1.00 0.00 C ATOM 396 CD2 LEU A 30 -13.638 -17.686 28.536 1.00 0.00 C ATOM 0 H LEU A 30 -17.374 -16.633 28.353 1.00 0.00 H new ATOM 0 HA LEU A 30 -15.171 -16.323 26.708 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -16.746 -18.781 27.556 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.219 -18.882 26.702 1.00 0.00 H new ATOM 0 HG LEU A 30 -15.609 -17.567 29.395 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -14.411 -19.556 30.288 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -15.948 -20.008 29.514 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.409 -20.272 28.659 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.123 -17.661 29.496 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.093 -18.333 27.849 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.687 -16.678 28.124 1.00 0.00 H new ATOM 408 N VAL A 31 -17.877 -17.316 25.167 1.00 0.00 N ATOM 409 CA VAL A 31 -18.498 -17.568 23.869 1.00 0.00 C ATOM 410 C VAL A 31 -18.085 -16.502 22.867 1.00 0.00 C ATOM 411 O VAL A 31 -17.912 -16.778 21.681 1.00 0.00 O ATOM 412 CB VAL A 31 -20.035 -17.557 23.967 1.00 0.00 C ATOM 413 CG1 VAL A 31 -20.657 -17.611 22.580 1.00 0.00 C ATOM 414 CG2 VAL A 31 -20.527 -18.756 24.762 1.00 0.00 C ATOM 0 H VAL A 31 -18.539 -17.254 25.940 1.00 0.00 H new ATOM 0 HA VAL A 31 -18.162 -18.552 23.542 1.00 0.00 H new ATOM 0 HB VAL A 31 -20.329 -16.635 24.469 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -21.743 -17.602 22.668 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -20.333 -16.746 22.002 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -20.341 -18.524 22.075 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -21.615 -18.732 24.821 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -20.211 -19.675 24.268 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -20.108 -18.722 25.768 1.00 0.00 H new ATOM 424 N ILE A 32 -17.929 -15.278 23.361 1.00 0.00 N ATOM 425 CA ILE A 32 -17.536 -14.144 22.528 1.00 0.00 C ATOM 426 C ILE A 32 -16.128 -14.343 21.990 1.00 0.00 C ATOM 427 O ILE A 32 -15.849 -14.072 20.823 1.00 0.00 O ATOM 428 CB ILE A 32 -17.558 -12.825 23.323 1.00 0.00 C ATOM 429 CG1 ILE A 32 -18.991 -12.464 23.718 1.00 0.00 C ATOM 430 CG2 ILE A 32 -16.987 -11.690 22.487 1.00 0.00 C ATOM 431 CD1 ILE A 32 -19.083 -11.322 24.706 1.00 0.00 C ATOM 0 H ILE A 32 -18.070 -15.044 24.344 1.00 0.00 H new ATOM 0 HA ILE A 32 -18.254 -14.087 21.710 1.00 0.00 H new ATOM 0 HB ILE A 32 -16.952 -12.965 24.218 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -19.550 -12.201 22.820 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -19.472 -13.343 24.147 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -17.010 -10.766 23.064 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -15.957 -11.922 22.214 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -17.584 -11.568 21.583 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -20.130 -11.125 24.937 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -18.553 -11.588 25.621 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -18.633 -10.429 24.273 1.00 0.00 H new ATOM 443 N LEU A 33 -15.243 -14.820 22.860 1.00 0.00 N ATOM 444 CA LEU A 33 -13.849 -15.066 22.499 1.00 0.00 C ATOM 445 C LEU A 33 -13.761 -16.121 21.408 1.00 0.00 C ATOM 446 O LEU A 33 -13.066 -15.945 20.408 1.00 0.00 O ATOM 447 CB LEU A 33 -13.060 -15.559 23.714 1.00 0.00 C ATOM 448 CG LEU A 33 -12.771 -14.522 24.801 1.00 0.00 C ATOM 449 CD1 LEU A 33 -12.097 -15.172 25.999 1.00 0.00 C ATOM 450 CD2 LEU A 33 -11.853 -13.430 24.273 1.00 0.00 C ATOM 0 H LEU A 33 -15.469 -15.046 23.829 1.00 0.00 H new ATOM 0 HA LEU A 33 -13.427 -14.127 22.141 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -13.609 -16.385 24.166 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.110 -15.962 23.364 1.00 0.00 H new ATOM 0 HG LEU A 33 -13.726 -14.091 25.101 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.900 -14.417 26.760 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -12.750 -15.941 26.411 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.156 -15.625 25.686 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.661 -12.703 25.062 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.911 -13.872 23.949 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.329 -12.931 23.429 1.00 0.00 H new ATOM 462 N ALA A 34 -14.477 -17.222 21.614 1.00 0.00 N ATOM 463 CA ALA A 34 -14.498 -18.329 20.660 1.00 0.00 C ATOM 464 C ALA A 34 -14.997 -17.853 19.305 1.00 0.00 C ATOM 465 O ALA A 34 -14.471 -18.239 18.262 1.00 0.00 O ATOM 466 CB ALA A 34 -15.418 -19.435 21.152 1.00 0.00 C ATOM 0 H ALA A 34 -15.056 -17.373 22.440 1.00 0.00 H new ATOM 0 HA ALA A 34 -13.481 -18.709 20.566 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -15.423 -20.252 20.431 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -15.062 -19.803 22.114 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -16.429 -19.044 21.264 1.00 0.00 H new ATOM 472 N VAL A 35 -16.022 -17.007 19.334 1.00 0.00 N ATOM 473 CA VAL A 35 -16.616 -16.459 18.118 1.00 0.00 C ATOM 474 C VAL A 35 -15.560 -15.762 17.277 1.00 0.00 C ATOM 475 O VAL A 35 -15.512 -15.919 16.058 1.00 0.00 O ATOM 476 CB VAL A 35 -17.717 -15.432 18.441 1.00 0.00 C ATOM 477 CG1 VAL A 35 -18.174 -14.725 17.174 1.00 0.00 C ATOM 478 CG2 VAL A 35 -18.920 -16.121 19.067 1.00 0.00 C ATOM 0 H VAL A 35 -16.463 -16.683 20.195 1.00 0.00 H new ATOM 0 HA VAL A 35 -17.048 -17.297 17.572 1.00 0.00 H new ATOM 0 HB VAL A 35 -17.300 -14.707 19.140 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -18.952 -14.003 17.421 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -17.329 -14.207 16.721 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -18.569 -15.458 16.471 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -19.689 -15.381 19.289 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -19.318 -16.860 18.372 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -18.616 -16.616 19.989 1.00 0.00 H new ATOM 488 N ALA A 36 -14.711 -14.988 17.947 1.00 0.00 N ATOM 489 CA ALA A 36 -13.639 -14.250 17.285 1.00 0.00 C ATOM 490 C ALA A 36 -12.633 -15.210 16.671 1.00 0.00 C ATOM 491 O ALA A 36 -12.220 -15.050 15.523 1.00 0.00 O ATOM 492 CB ALA A 36 -12.912 -13.362 18.283 1.00 0.00 C ATOM 0 H ALA A 36 -14.746 -14.855 18.958 1.00 0.00 H new ATOM 0 HA ALA A 36 -14.088 -13.637 16.503 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.116 -12.819 17.774 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -13.615 -12.652 18.718 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -12.483 -13.978 19.073 1.00 0.00 H new ATOM 498 N GLY A 37 -12.243 -16.212 17.453 1.00 0.00 N ATOM 499 CA GLY A 37 -11.282 -17.218 17.012 1.00 0.00 C ATOM 500 C GLY A 37 -11.678 -17.773 15.653 1.00 0.00 C ATOM 501 O GLY A 37 -10.931 -17.670 14.681 1.00 0.00 O ATOM 0 H GLY A 37 -12.582 -16.349 18.405 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.286 -16.778 16.956 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.233 -18.027 17.741 1.00 0.00 H new ATOM 505 N LEU A 38 -12.868 -18.363 15.599 1.00 0.00 N ATOM 506 CA LEU A 38 -13.395 -18.947 14.368 1.00 0.00 C ATOM 507 C LEU A 38 -13.524 -17.885 13.289 1.00 0.00 C ATOM 508 O LEU A 38 -13.241 -18.131 12.118 1.00 0.00 O ATOM 509 CB LEU A 38 -14.776 -19.558 14.613 1.00 0.00 C ATOM 510 CG LEU A 38 -14.812 -20.835 15.455 1.00 0.00 C ATOM 511 CD1 LEU A 38 -16.248 -21.260 15.726 1.00 0.00 C ATOM 512 CD2 LEU A 38 -14.108 -21.974 14.734 1.00 0.00 C ATOM 0 H LEU A 38 -13.492 -18.450 16.401 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.700 -19.722 14.044 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -15.400 -18.809 15.100 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -15.232 -19.772 13.646 1.00 0.00 H new ATOM 0 HG LEU A 38 -14.304 -20.620 16.395 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -16.251 -22.170 16.326 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -16.766 -20.468 16.266 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -16.757 -21.447 14.780 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -14.145 -22.873 15.350 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -14.605 -22.165 13.783 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -13.068 -21.702 14.552 1.00 0.00 H new ATOM 524 N ILE A 39 -13.956 -16.697 13.700 1.00 0.00 N ATOM 525 CA ILE A 39 -14.133 -15.571 12.787 1.00 0.00 C ATOM 526 C ILE A 39 -12.824 -15.238 12.092 1.00 0.00 C ATOM 527 O ILE A 39 -12.785 -15.008 10.884 1.00 0.00 O ATOM 528 CB ILE A 39 -14.607 -14.309 13.532 1.00 0.00 C ATOM 529 CG1 ILE A 39 -16.026 -14.509 14.069 1.00 0.00 C ATOM 530 CG2 ILE A 39 -14.609 -13.109 12.598 1.00 0.00 C ATOM 531 CD1 ILE A 39 -17.055 -14.775 12.991 1.00 0.00 C ATOM 0 H ILE A 39 -14.192 -16.487 14.670 1.00 0.00 H new ATOM 0 HA ILE A 39 -14.887 -15.870 12.059 1.00 0.00 H new ATOM 0 HB ILE A 39 -13.920 -14.131 14.359 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -16.025 -15.343 14.771 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -16.321 -13.622 14.629 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -14.947 -12.226 13.141 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -13.600 -12.940 12.221 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -15.282 -13.300 11.762 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -18.036 -14.906 13.448 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -17.086 -13.931 12.302 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -16.785 -15.679 12.446 1.00 0.00 H new ATOM 543 N TYR A 40 -11.748 -15.216 12.874 1.00 0.00 N ATOM 544 CA TYR A 40 -10.415 -14.913 12.359 1.00 0.00 C ATOM 545 C TYR A 40 -9.925 -16.033 11.458 1.00 0.00 C ATOM 546 O TYR A 40 -9.335 -15.792 10.406 1.00 0.00 O ATOM 547 CB TYR A 40 -9.420 -14.749 13.510 1.00 0.00 C ATOM 548 CG TYR A 40 -8.017 -14.406 13.063 1.00 0.00 C ATOM 549 CD1 TYR A 40 -7.690 -13.114 12.673 1.00 0.00 C ATOM 550 CD2 TYR A 40 -7.024 -15.377 13.033 1.00 0.00 C ATOM 551 CE1 TYR A 40 -6.411 -12.792 12.263 1.00 0.00 C ATOM 552 CE2 TYR A 40 -5.739 -15.073 12.625 1.00 0.00 C ATOM 553 CZ TYR A 40 -5.438 -13.768 12.239 1.00 0.00 C ATOM 554 OH TYR A 40 -4.163 -13.450 11.831 1.00 0.00 O ATOM 0 H TYR A 40 -11.774 -15.406 13.876 1.00 0.00 H new ATOM 0 HA TYR A 40 -10.482 -13.984 11.792 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -9.779 -13.967 14.179 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -9.391 -15.673 14.087 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -8.450 -12.347 12.691 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -7.260 -16.387 13.334 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -6.175 -11.782 11.963 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -4.977 -15.838 12.605 1.00 0.00 H new ATOM 0 HH TYR A 40 -3.597 -14.249 11.873 1.00 0.00 H new ATOM 564 N SER A 41 -10.176 -17.268 11.886 1.00 0.00 N ATOM 565 CA SER A 41 -9.771 -18.451 11.135 1.00 0.00 C ATOM 566 C SER A 41 -10.412 -18.454 9.757 1.00 0.00 C ATOM 567 O SER A 41 -9.741 -18.637 8.743 1.00 0.00 O ATOM 568 CB SER A 41 -10.198 -19.724 11.869 1.00 0.00 C ATOM 569 OG SER A 41 -9.506 -19.861 13.097 1.00 0.00 O ATOM 0 H SER A 41 -10.663 -17.475 12.758 1.00 0.00 H new ATOM 0 HA SER A 41 -8.686 -18.426 11.038 1.00 0.00 H new ATOM 0 HB2 SER A 41 -11.272 -19.698 12.054 1.00 0.00 H new ATOM 0 HB3 SER A 41 -10.004 -20.593 11.240 1.00 0.00 H new ATOM 0 HG SER A 41 -9.861 -19.218 13.746 1.00 0.00 H new ATOM 575 N MET A 42 -11.726 -18.248 9.735 1.00 0.00 N ATOM 576 CA MET A 42 -12.491 -18.221 8.491 1.00 0.00 C ATOM 577 C MET A 42 -12.046 -17.059 7.618 1.00 0.00 C ATOM 578 O MET A 42 -11.914 -17.191 6.402 1.00 0.00 O ATOM 579 CB MET A 42 -13.984 -18.062 8.784 1.00 0.00 C ATOM 580 CG MET A 42 -14.867 -18.108 7.547 1.00 0.00 C ATOM 581 SD MET A 42 -16.620 -17.949 7.938 1.00 0.00 S ATOM 582 CE MET A 42 -16.702 -16.230 8.434 1.00 0.00 C ATOM 0 H MET A 42 -12.288 -18.096 10.573 1.00 0.00 H new ATOM 0 HA MET A 42 -12.314 -19.163 7.971 1.00 0.00 H new ATOM 0 HB2 MET A 42 -14.295 -18.851 9.469 1.00 0.00 H new ATOM 0 HB3 MET A 42 -14.144 -17.113 9.297 1.00 0.00 H new ATOM 0 HG2 MET A 42 -14.576 -17.307 6.868 1.00 0.00 H new ATOM 0 HG3 MET A 42 -14.700 -19.048 7.021 1.00 0.00 H new ATOM 0 HE1 MET A 42 -17.743 -15.910 8.467 1.00 0.00 H new ATOM 0 HE2 MET A 42 -16.256 -16.115 9.422 1.00 0.00 H new ATOM 0 HE3 MET A 42 -16.157 -15.618 7.716 1.00 0.00 H new ATOM 592 N LEU A 43 -11.818 -15.915 8.257 1.00 0.00 N ATOM 593 CA LEU A 43 -11.385 -14.706 7.563 1.00 0.00 C ATOM 594 C LEU A 43 -9.920 -14.812 7.172 1.00 0.00 C ATOM 595 O LEU A 43 -9.521 -14.403 6.083 1.00 0.00 O ATOM 596 CB LEU A 43 -11.558 -13.481 8.463 1.00 0.00 C ATOM 597 CG LEU A 43 -12.997 -13.040 8.740 1.00 0.00 C ATOM 598 CD1 LEU A 43 -13.025 -11.898 9.743 1.00 0.00 C ATOM 599 CD2 LEU A 43 -13.669 -12.566 7.460 1.00 0.00 C ATOM 0 H LEU A 43 -11.927 -15.800 9.265 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.999 -14.598 6.669 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.074 -13.687 9.418 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.026 -12.645 8.009 1.00 0.00 H new ATOM 0 HG LEU A 43 -13.531 -13.901 9.143 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -14.057 -11.600 9.926 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -12.570 -12.224 10.678 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -12.467 -11.050 9.345 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -14.691 -12.257 7.679 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.115 -11.722 7.049 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -13.683 -13.379 6.734 1.00 0.00 H new ATOM 611 N ARG A 44 -9.122 -15.369 8.078 1.00 0.00 N ATOM 612 CA ARG A 44 -7.690 -15.543 7.855 1.00 0.00 C ATOM 613 C ARG A 44 -7.428 -16.795 7.034 1.00 0.00 C ATOM 614 O ARG A 44 -6.492 -16.850 6.238 1.00 0.00 O ATOM 615 CB ARG A 44 -6.952 -15.676 9.189 1.00 0.00 C ATOM 616 CG ARG A 44 -5.441 -15.770 9.056 1.00 0.00 C ATOM 617 CD ARG A 44 -4.851 -14.471 8.531 1.00 0.00 C ATOM 618 NE ARG A 44 -3.397 -14.539 8.412 1.00 0.00 N ATOM 619 CZ ARG A 44 -2.651 -13.608 7.827 1.00 0.00 C ATOM 620 NH1 ARG A 44 -3.223 -12.532 7.304 1.00 0.00 N ATOM 621 NH2 ARG A 44 -1.334 -13.755 7.766 1.00 0.00 N ATOM 0 H ARG A 44 -9.447 -15.711 8.982 1.00 0.00 H new ATOM 0 HA ARG A 44 -7.328 -14.666 7.318 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -7.198 -14.818 9.815 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -7.316 -16.563 9.707 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -5.002 -16.005 10.026 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.183 -16.587 8.383 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.284 -14.244 7.557 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.122 -13.654 9.199 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.924 -15.354 8.803 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.236 -12.419 7.351 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.650 -11.817 6.855 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.894 -14.583 8.168 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.761 -13.040 7.317 1.00 0.00 H new ATOM 635 N LYS A 45 -8.270 -17.804 7.240 1.00 0.00 N ATOM 636 CA LYS A 45 -8.154 -19.074 6.530 1.00 0.00 C ATOM 637 C LYS A 45 -8.601 -18.920 5.086 1.00 0.00 C ATOM 638 O LYS A 45 -7.932 -19.379 4.161 1.00 0.00 O ATOM 639 CB LYS A 45 -9.026 -20.141 7.195 1.00 0.00 C ATOM 640 CG LYS A 45 -8.926 -21.514 6.550 1.00 0.00 C ATOM 641 CD LYS A 45 -9.772 -22.535 7.293 1.00 0.00 C ATOM 642 CE LYS A 45 -9.684 -23.905 6.640 1.00 0.00 C ATOM 643 NZ LYS A 45 -10.499 -24.919 7.364 1.00 0.00 N ATOM 0 H LYS A 45 -9.047 -17.765 7.899 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.108 -19.378 6.562 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.744 -20.223 8.245 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.065 -19.814 7.169 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.252 -21.455 5.511 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.886 -21.839 6.540 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.439 -22.601 8.329 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -10.811 -22.205 7.312 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.024 -23.837 5.607 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.643 -24.228 6.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.412 -25.839 6.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.159 -25.003 8.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.496 -24.624 7.368 1.00 0.00 H new ATOM 657 N ALA A 46 -9.744 -18.265 4.905 1.00 0.00 N ATOM 658 CA ALA A 46 -10.309 -18.034 3.579 1.00 0.00 C ATOM 659 C ALA A 46 -11.614 -17.259 3.702 1.00 0.00 C ATOM 660 O ALA A 46 -12.039 -16.925 4.806 1.00 0.00 O ATOM 661 CB ALA A 46 -10.539 -19.373 2.884 1.00 0.00 C ATOM 0 H ALA A 46 -10.302 -17.881 5.668 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.614 -17.444 2.981 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.961 -19.201 1.894 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.590 -19.901 2.788 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.231 -19.975 3.474 1.00 0.00 H new