USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 376 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 Single : A 11 THR OG1 : rot 180:sc= 0.0182 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.124) USER MOD Single : A 18 LYS NZ :NH3+ -154:sc= -1.21 (180deg=-1.99) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0.185 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -27:sc= -0.599 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -1.96 X(o=-2,f=-1.5) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 9 6.504 -14.709 -11.081 1.00 0.00 N ATOM 2 CA ALA A 9 5.737 -13.733 -11.907 1.00 0.00 C ATOM 3 C ALA A 9 4.579 -13.176 -11.087 1.00 0.00 C ATOM 4 O ALA A 9 4.615 -13.186 -9.857 1.00 0.00 O ATOM 5 CB ALA A 9 5.203 -14.436 -13.157 1.00 0.00 C ATOM 0 HA ALA A 9 6.388 -12.913 -12.209 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.642 -13.725 -13.763 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.037 -14.829 -13.738 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.549 -15.256 -12.862 1.00 0.00 H new ATOM 11 N ALA A 10 3.550 -12.690 -11.780 1.00 0.00 N ATOM 12 CA ALA A 10 2.369 -12.124 -11.118 1.00 0.00 C ATOM 13 C ALA A 10 1.135 -12.964 -11.427 1.00 0.00 C ATOM 14 O ALA A 10 0.361 -12.638 -12.328 1.00 0.00 O ATOM 15 CB ALA A 10 2.144 -10.690 -11.602 1.00 0.00 C ATOM 0 H ALA A 10 3.508 -12.676 -12.799 1.00 0.00 H new ATOM 0 HA ALA A 10 2.537 -12.124 -10.041 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.266 -10.273 -11.108 1.00 0.00 H new ATOM 0 HB2 ALA A 10 3.018 -10.084 -11.362 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.988 -10.690 -12.681 1.00 0.00 H new ATOM 21 N THR A 11 0.957 -14.043 -10.675 1.00 0.00 N ATOM 22 CA THR A 11 -0.187 -14.924 -10.878 1.00 0.00 C ATOM 23 C THR A 11 -1.492 -14.162 -10.655 1.00 0.00 C ATOM 24 O THR A 11 -1.487 -13.039 -10.152 1.00 0.00 O ATOM 25 CB THR A 11 -0.112 -16.116 -9.913 1.00 0.00 C ATOM 26 OG1 THR A 11 0.272 -15.653 -8.626 1.00 0.00 O ATOM 27 CG2 THR A 11 0.914 -17.139 -10.413 1.00 0.00 C ATOM 0 H THR A 11 1.585 -14.328 -9.924 1.00 0.00 H new ATOM 0 HA THR A 11 -0.164 -15.291 -11.904 1.00 0.00 H new ATOM 0 HB THR A 11 -1.090 -16.593 -9.859 1.00 0.00 H new ATOM 0 HG1 THR A 11 0.320 -16.411 -8.006 1.00 0.00 H new ATOM 0 HG21 THR A 11 0.958 -17.979 -9.720 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.620 -17.497 -11.399 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.896 -16.669 -10.476 1.00 0.00 H new ATOM 35 N MET A 12 -2.603 -14.784 -11.031 1.00 0.00 N ATOM 36 CA MET A 12 -3.910 -14.159 -10.865 1.00 0.00 C ATOM 37 C MET A 12 -4.140 -13.796 -9.403 1.00 0.00 C ATOM 38 O MET A 12 -4.915 -12.892 -9.093 1.00 0.00 O ATOM 39 CB MET A 12 -5.009 -15.112 -11.336 1.00 0.00 C ATOM 40 CG MET A 12 -6.357 -14.389 -11.317 1.00 0.00 C ATOM 41 SD MET A 12 -7.657 -15.523 -11.867 1.00 0.00 S ATOM 42 CE MET A 12 -9.039 -14.361 -11.738 1.00 0.00 C ATOM 0 H MET A 12 -2.626 -15.714 -11.450 1.00 0.00 H new ATOM 0 HA MET A 12 -3.940 -13.250 -11.466 1.00 0.00 H new ATOM 0 HB2 MET A 12 -4.790 -15.467 -12.343 1.00 0.00 H new ATOM 0 HB3 MET A 12 -5.046 -15.989 -10.690 1.00 0.00 H new ATOM 0 HG2 MET A 12 -6.575 -14.029 -10.311 1.00 0.00 H new ATOM 0 HG3 MET A 12 -6.322 -13.515 -11.968 1.00 0.00 H new ATOM 0 HE1 MET A 12 -9.962 -14.859 -12.036 1.00 0.00 H new ATOM 0 HE2 MET A 12 -9.129 -14.016 -10.708 1.00 0.00 H new ATOM 0 HE3 MET A 12 -8.859 -13.508 -12.392 1.00 0.00 H new ATOM 52 N LYS A 13 -3.459 -14.506 -8.512 1.00 0.00 N ATOM 53 CA LYS A 13 -3.595 -14.249 -7.086 1.00 0.00 C ATOM 54 C LYS A 13 -2.992 -12.895 -6.736 1.00 0.00 C ATOM 55 O LYS A 13 -3.545 -12.149 -5.928 1.00 0.00 O ATOM 56 CB LYS A 13 -2.891 -15.350 -6.283 1.00 0.00 C ATOM 57 CG LYS A 13 -3.742 -16.623 -6.299 1.00 0.00 C ATOM 58 CD LYS A 13 -2.965 -17.767 -5.645 1.00 0.00 C ATOM 59 CE LYS A 13 -3.841 -19.019 -5.599 1.00 0.00 C ATOM 60 NZ LYS A 13 -4.874 -18.864 -4.536 1.00 0.00 N ATOM 0 H LYS A 13 -2.812 -15.258 -8.750 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.655 -14.243 -6.833 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -1.908 -15.552 -6.709 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.732 -15.020 -5.256 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.678 -16.454 -5.766 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.002 -16.886 -7.324 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.053 -17.969 -6.207 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.662 -17.485 -4.637 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.319 -19.177 -6.566 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.228 -19.898 -5.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.324 -19.784 -4.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.426 -18.517 -3.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.595 -18.183 -4.849 1.00 0.00 H new ATOM 74 N ASP A 14 -1.853 -12.582 -7.347 1.00 0.00 N ATOM 75 CA ASP A 14 -1.188 -11.315 -7.087 1.00 0.00 C ATOM 76 C ASP A 14 -2.065 -10.153 -7.528 1.00 0.00 C ATOM 77 O ASP A 14 -2.096 -9.106 -6.883 1.00 0.00 O ATOM 78 CB ASP A 14 0.147 -11.263 -7.833 1.00 0.00 C ATOM 79 CG ASP A 14 1.150 -12.205 -7.174 1.00 0.00 C ATOM 80 OD1 ASP A 14 1.234 -12.193 -5.958 1.00 0.00 O ATOM 81 OD2 ASP A 14 1.817 -12.926 -7.897 1.00 0.00 O ATOM 0 H ASP A 14 -1.377 -13.184 -8.019 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.007 -11.233 -6.015 1.00 0.00 H new ATOM 0 HB2 ASP A 14 0.002 -11.545 -8.876 1.00 0.00 H new ATOM 0 HB3 ASP A 14 0.536 -10.245 -7.830 1.00 0.00 H new ATOM 86 N VAL A 15 -2.775 -10.342 -8.635 1.00 0.00 N ATOM 87 CA VAL A 15 -3.648 -9.301 -9.154 1.00 0.00 C ATOM 88 C VAL A 15 -4.693 -8.904 -8.115 1.00 0.00 C ATOM 89 O VAL A 15 -4.945 -7.720 -7.896 1.00 0.00 O ATOM 90 CB VAL A 15 -4.344 -9.801 -10.426 1.00 0.00 C ATOM 91 CG1 VAL A 15 -5.347 -8.751 -10.916 1.00 0.00 C ATOM 92 CG2 VAL A 15 -3.298 -10.072 -11.522 1.00 0.00 C ATOM 0 H VAL A 15 -2.762 -11.201 -9.185 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.044 -8.424 -9.388 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.875 -10.726 -10.202 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.839 -9.111 -11.820 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.094 -8.573 -10.143 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.822 -7.821 -11.134 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.799 -10.427 -12.423 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.758 -9.152 -11.745 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.595 -10.830 -11.175 1.00 0.00 H new ATOM 102 N ALA A 16 -5.300 -9.902 -7.478 1.00 0.00 N ATOM 103 CA ALA A 16 -6.317 -9.637 -6.464 1.00 0.00 C ATOM 104 C ALA A 16 -5.782 -8.667 -5.415 1.00 0.00 C ATOM 105 O ALA A 16 -6.495 -7.777 -4.953 1.00 0.00 O ATOM 106 CB ALA A 16 -6.735 -10.943 -5.785 1.00 0.00 C ATOM 0 H ALA A 16 -5.109 -10.890 -7.643 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.183 -9.190 -6.953 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.494 -10.734 -5.031 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.143 -11.626 -6.530 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.867 -11.400 -5.310 1.00 0.00 H new ATOM 112 N LEU A 17 -4.522 -8.854 -5.042 1.00 0.00 N ATOM 113 CA LEU A 17 -3.892 -7.998 -4.043 1.00 0.00 C ATOM 114 C LEU A 17 -3.961 -6.532 -4.464 1.00 0.00 C ATOM 115 O LEU A 17 -4.291 -5.661 -3.660 1.00 0.00 O ATOM 116 CB LEU A 17 -2.426 -8.405 -3.848 1.00 0.00 C ATOM 117 CG LEU A 17 -1.874 -7.782 -2.548 1.00 0.00 C ATOM 118 CD1 LEU A 17 -2.203 -8.680 -1.344 1.00 0.00 C ATOM 119 CD2 LEU A 17 -0.351 -7.636 -2.654 1.00 0.00 C ATOM 0 H LEU A 17 -3.918 -9.587 -5.414 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.431 -8.120 -3.104 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.344 -9.491 -3.804 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.832 -8.075 -4.700 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.336 -6.805 -2.408 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.808 -8.228 -0.434 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.284 -8.788 -1.255 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.751 -9.661 -1.488 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.037 -7.196 -1.735 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.099 -8.617 -2.805 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.105 -6.991 -3.497 1.00 0.00 H new ATOM 131 N LYS A 18 -3.638 -6.265 -5.725 1.00 0.00 N ATOM 132 CA LYS A 18 -3.656 -4.899 -6.239 1.00 0.00 C ATOM 133 C LYS A 18 -5.083 -4.361 -6.335 1.00 0.00 C ATOM 134 O LYS A 18 -5.318 -3.169 -6.136 1.00 0.00 O ATOM 135 CB LYS A 18 -3.002 -4.857 -7.621 1.00 0.00 C ATOM 136 CG LYS A 18 -2.711 -3.404 -8.007 1.00 0.00 C ATOM 137 CD LYS A 18 -2.398 -3.322 -9.503 1.00 0.00 C ATOM 138 CE LYS A 18 -1.233 -4.258 -9.836 1.00 0.00 C ATOM 139 NZ LYS A 18 -0.189 -4.149 -8.779 1.00 0.00 N ATOM 0 H LYS A 18 -3.362 -6.971 -6.407 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.098 -4.270 -5.545 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.078 -5.434 -7.615 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.659 -5.316 -8.360 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.569 -2.775 -7.770 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.869 -3.025 -7.428 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.277 -3.598 -10.085 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.144 -2.298 -9.776 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.588 -5.286 -9.907 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.811 -3.999 -10.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.737 -4.402 -9.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.157 -3.173 -8.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.417 -4.796 -7.997 1.00 0.00 H new ATOM 153 N ALA A 19 -6.033 -5.243 -6.644 1.00 0.00 N ATOM 154 CA ALA A 19 -7.436 -4.838 -6.768 1.00 0.00 C ATOM 155 C ALA A 19 -8.162 -4.986 -5.429 1.00 0.00 C ATOM 156 O ALA A 19 -9.345 -4.665 -5.317 1.00 0.00 O ATOM 157 CB ALA A 19 -8.127 -5.691 -7.844 1.00 0.00 C ATOM 0 H ALA A 19 -5.861 -6.234 -6.812 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.474 -3.789 -7.061 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -9.170 -5.388 -7.934 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.624 -5.548 -8.800 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.078 -6.743 -7.562 1.00 0.00 H new ATOM 163 N LYS A 20 -7.444 -5.466 -4.416 1.00 0.00 N ATOM 164 CA LYS A 20 -8.031 -5.642 -3.090 1.00 0.00 C ATOM 165 C LYS A 20 -9.394 -6.318 -3.191 1.00 0.00 C ATOM 166 O LYS A 20 -10.361 -5.891 -2.561 1.00 0.00 O ATOM 167 CB LYS A 20 -8.187 -4.284 -2.404 1.00 0.00 C ATOM 168 CG LYS A 20 -6.802 -3.718 -2.061 1.00 0.00 C ATOM 169 CD LYS A 20 -6.924 -2.223 -1.766 1.00 0.00 C ATOM 170 CE LYS A 20 -5.566 -1.674 -1.326 1.00 0.00 C ATOM 171 NZ LYS A 20 -5.730 -0.281 -0.825 1.00 0.00 N ATOM 0 H LYS A 20 -6.463 -5.738 -4.486 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.366 -6.274 -2.502 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.721 -3.594 -3.058 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.783 -4.390 -1.497 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.388 -4.238 -1.197 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.114 -3.881 -2.891 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.271 -1.694 -2.654 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.666 -2.056 -0.985 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.143 -2.305 -0.544 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.867 -1.691 -2.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.806 0.091 -0.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.116 0.317 -1.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.383 -0.278 -0.015 1.00 0.00 H new ATOM 185 N VAL A 21 -9.460 -7.368 -3.994 1.00 0.00 N ATOM 186 CA VAL A 21 -10.709 -8.096 -4.185 1.00 0.00 C ATOM 187 C VAL A 21 -11.097 -8.860 -2.924 1.00 0.00 C ATOM 188 O VAL A 21 -11.967 -8.426 -2.169 1.00 0.00 O ATOM 189 CB VAL A 21 -10.581 -9.075 -5.351 1.00 0.00 C ATOM 190 CG1 VAL A 21 -11.951 -9.676 -5.655 1.00 0.00 C ATOM 191 CG2 VAL A 21 -10.065 -8.331 -6.585 1.00 0.00 C ATOM 0 H VAL A 21 -8.669 -7.736 -4.523 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.488 -7.366 -4.406 1.00 0.00 H new ATOM 0 HB VAL A 21 -9.883 -9.870 -5.088 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -11.865 -10.375 -6.487 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -12.321 -10.202 -4.775 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.647 -8.880 -5.921 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.973 -9.028 -7.418 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.764 -7.538 -6.851 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.090 -7.896 -6.366 1.00 0.00 H new ATOM 201 N SER A 22 -10.446 -9.996 -2.706 1.00 0.00 N ATOM 202 CA SER A 22 -10.728 -10.821 -1.532 1.00 0.00 C ATOM 203 C SER A 22 -10.113 -12.209 -1.696 1.00 0.00 C ATOM 204 O SER A 22 -10.190 -12.812 -2.765 1.00 0.00 O ATOM 205 CB SER A 22 -12.245 -10.955 -1.331 1.00 0.00 C ATOM 206 OG SER A 22 -12.525 -12.192 -0.689 1.00 0.00 O ATOM 0 H SER A 22 -9.723 -10.368 -3.321 1.00 0.00 H new ATOM 0 HA SER A 22 -10.289 -10.337 -0.659 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.618 -10.127 -0.729 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.757 -10.907 -2.292 1.00 0.00 H new ATOM 0 HG SER A 22 -13.492 -12.281 -0.557 1.00 0.00 H new ATOM 212 N THR A 23 -9.499 -12.703 -0.627 1.00 0.00 N ATOM 213 CA THR A 23 -8.868 -14.018 -0.655 1.00 0.00 C ATOM 214 C THR A 23 -9.895 -15.114 -0.933 1.00 0.00 C ATOM 215 O THR A 23 -9.559 -16.162 -1.484 1.00 0.00 O ATOM 216 CB THR A 23 -8.178 -14.291 0.683 1.00 0.00 C ATOM 217 OG1 THR A 23 -7.371 -13.176 1.033 1.00 0.00 O ATOM 218 CG2 THR A 23 -7.304 -15.540 0.562 1.00 0.00 C ATOM 0 H THR A 23 -9.425 -12.216 0.266 1.00 0.00 H new ATOM 0 HA THR A 23 -8.131 -14.024 -1.458 1.00 0.00 H new ATOM 0 HB THR A 23 -8.930 -14.451 1.455 1.00 0.00 H new ATOM 0 HG1 THR A 23 -6.929 -13.348 1.891 1.00 0.00 H new ATOM 0 HG21 THR A 23 -6.813 -15.734 1.515 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.925 -16.394 0.294 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.550 -15.383 -0.209 1.00 0.00 H new ATOM 226 N ALA A 24 -11.144 -14.873 -0.544 1.00 0.00 N ATOM 227 CA ALA A 24 -12.204 -15.855 -0.755 1.00 0.00 C ATOM 228 C ALA A 24 -12.683 -15.843 -2.206 1.00 0.00 C ATOM 229 O ALA A 24 -12.959 -16.891 -2.787 1.00 0.00 O ATOM 230 CB ALA A 24 -13.381 -15.556 0.173 1.00 0.00 C ATOM 0 H ALA A 24 -11.446 -14.014 -0.085 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.801 -16.843 -0.532 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -14.168 -16.292 0.011 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.048 -15.603 1.210 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.767 -14.559 -0.039 1.00 0.00 H new ATOM 236 N THR A 25 -12.790 -14.650 -2.782 1.00 0.00 N ATOM 237 CA THR A 25 -13.249 -14.532 -4.162 1.00 0.00 C ATOM 238 C THR A 25 -12.338 -15.337 -5.079 1.00 0.00 C ATOM 239 O THR A 25 -12.766 -16.317 -5.688 1.00 0.00 O ATOM 240 CB THR A 25 -13.244 -13.065 -4.591 1.00 0.00 C ATOM 241 OG1 THR A 25 -12.002 -12.477 -4.237 1.00 0.00 O ATOM 242 CG2 THR A 25 -14.382 -12.322 -3.890 1.00 0.00 C ATOM 0 H THR A 25 -12.570 -13.765 -2.325 1.00 0.00 H new ATOM 0 HA THR A 25 -14.265 -14.920 -4.232 1.00 0.00 H new ATOM 0 HB THR A 25 -13.384 -13.000 -5.670 1.00 0.00 H new ATOM 0 HG1 THR A 25 -11.624 -12.950 -3.466 1.00 0.00 H new ATOM 0 HG21 THR A 25 -14.377 -11.276 -4.197 1.00 0.00 H new ATOM 0 HG22 THR A 25 -15.335 -12.776 -4.162 1.00 0.00 H new ATOM 0 HG23 THR A 25 -14.246 -12.384 -2.810 1.00 0.00 H new ATOM 250 N VAL A 26 -11.083 -14.919 -5.173 1.00 0.00 N ATOM 251 CA VAL A 26 -10.120 -15.609 -6.022 1.00 0.00 C ATOM 252 C VAL A 26 -10.092 -17.105 -5.706 1.00 0.00 C ATOM 253 O VAL A 26 -9.842 -17.929 -6.585 1.00 0.00 O ATOM 254 CB VAL A 26 -8.726 -14.996 -5.822 1.00 0.00 C ATOM 255 CG1 VAL A 26 -8.115 -15.477 -4.500 1.00 0.00 C ATOM 256 CG2 VAL A 26 -7.815 -15.408 -6.983 1.00 0.00 C ATOM 0 H VAL A 26 -10.709 -14.111 -4.676 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.420 -15.489 -7.063 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.820 -13.910 -5.793 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.127 -15.034 -4.373 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.757 -15.176 -3.672 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.026 -16.563 -4.514 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.826 -14.973 -6.841 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.733 -16.494 -7.013 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.238 -15.050 -7.922 1.00 0.00 H new ATOM 266 N SER A 27 -10.350 -17.445 -4.446 1.00 0.00 N ATOM 267 CA SER A 27 -10.350 -18.843 -4.026 1.00 0.00 C ATOM 268 C SER A 27 -11.623 -19.546 -4.489 1.00 0.00 C ATOM 269 O SER A 27 -11.597 -20.722 -4.854 1.00 0.00 O ATOM 270 CB SER A 27 -10.245 -18.930 -2.504 1.00 0.00 C ATOM 271 OG SER A 27 -10.164 -20.295 -2.116 1.00 0.00 O ATOM 0 H SER A 27 -10.560 -16.778 -3.704 1.00 0.00 H new ATOM 0 HA SER A 27 -9.491 -19.337 -4.480 1.00 0.00 H new ATOM 0 HB2 SER A 27 -9.365 -18.389 -2.157 1.00 0.00 H new ATOM 0 HB3 SER A 27 -11.112 -18.459 -2.041 1.00 0.00 H new ATOM 0 HG SER A 27 -10.095 -20.354 -1.140 1.00 0.00 H new ATOM 277 N ARG A 28 -12.735 -18.819 -4.474 1.00 0.00 N ATOM 278 CA ARG A 28 -14.013 -19.381 -4.897 1.00 0.00 C ATOM 279 C ARG A 28 -14.104 -19.400 -6.418 1.00 0.00 C ATOM 280 O ARG A 28 -14.903 -20.135 -6.996 1.00 0.00 O ATOM 281 CB ARG A 28 -15.166 -18.549 -4.326 1.00 0.00 C ATOM 282 CG ARG A 28 -15.220 -18.698 -2.791 1.00 0.00 C ATOM 283 CD ARG A 28 -16.087 -19.902 -2.405 1.00 0.00 C ATOM 284 NE ARG A 28 -17.494 -19.612 -2.661 1.00 0.00 N ATOM 285 CZ ARG A 28 -18.396 -20.587 -2.717 1.00 0.00 C ATOM 286 NH1 ARG A 28 -18.030 -21.827 -2.543 1.00 0.00 N ATOM 287 NH2 ARG A 28 -19.649 -20.303 -2.947 1.00 0.00 N ATOM 0 H ARG A 28 -12.778 -17.845 -4.175 1.00 0.00 H new ATOM 0 HA ARG A 28 -14.084 -20.402 -4.523 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -15.035 -17.500 -4.593 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -16.110 -18.873 -4.764 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -14.212 -18.825 -2.395 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -15.626 -17.790 -2.344 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -15.779 -20.779 -2.975 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -15.943 -20.140 -1.351 1.00 0.00 H new ATOM 0 HE ARG A 28 -17.790 -18.646 -2.799 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -17.051 -22.049 -2.364 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -18.723 -22.574 -2.586 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -19.935 -19.334 -3.084 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -20.342 -21.050 -2.990 1.00 0.00 H new ATOM 301 N ALA A 29 -13.273 -18.586 -7.057 1.00 0.00 N ATOM 302 CA ALA A 29 -13.254 -18.507 -8.514 1.00 0.00 C ATOM 303 C ALA A 29 -12.634 -19.765 -9.114 1.00 0.00 C ATOM 304 O ALA A 29 -12.845 -20.075 -10.285 1.00 0.00 O ATOM 305 CB ALA A 29 -12.456 -17.281 -8.964 1.00 0.00 C ATOM 0 H ALA A 29 -12.604 -17.972 -6.591 1.00 0.00 H new ATOM 0 HA ALA A 29 -14.283 -18.420 -8.864 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -12.448 -17.232 -10.053 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -12.918 -16.379 -8.563 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.433 -17.358 -8.597 1.00 0.00 H new ATOM 311 N LEU A 30 -11.870 -20.489 -8.303 1.00 0.00 N ATOM 312 CA LEU A 30 -11.230 -21.713 -8.771 1.00 0.00 C ATOM 313 C LEU A 30 -12.282 -22.748 -9.161 1.00 0.00 C ATOM 314 O LEU A 30 -12.009 -23.663 -9.938 1.00 0.00 O ATOM 315 CB LEU A 30 -10.324 -22.287 -7.678 1.00 0.00 C ATOM 316 CG LEU A 30 -9.465 -21.167 -7.075 1.00 0.00 C ATOM 317 CD1 LEU A 30 -8.564 -21.734 -5.973 1.00 0.00 C ATOM 318 CD2 LEU A 30 -8.594 -20.538 -8.173 1.00 0.00 C ATOM 0 H LEU A 30 -11.680 -20.253 -7.329 1.00 0.00 H new ATOM 0 HA LEU A 30 -10.627 -21.473 -9.647 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.928 -22.754 -6.900 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -9.684 -23.065 -8.094 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.120 -20.408 -6.648 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.958 -20.933 -5.550 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.181 -22.174 -5.189 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.912 -22.499 -6.394 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.985 -19.743 -7.743 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.945 -21.300 -8.604 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.234 -20.124 -8.952 1.00 0.00 H new ATOM 330 N MET A 31 -13.488 -22.595 -8.612 1.00 0.00 N ATOM 331 CA MET A 31 -14.593 -23.519 -8.901 1.00 0.00 C ATOM 332 C MET A 31 -15.783 -22.765 -9.491 1.00 0.00 C ATOM 333 O MET A 31 -16.715 -23.376 -10.015 1.00 0.00 O ATOM 334 CB MET A 31 -15.028 -24.245 -7.616 1.00 0.00 C ATOM 335 CG MET A 31 -15.354 -23.233 -6.509 1.00 0.00 C ATOM 336 SD MET A 31 -16.448 -24.008 -5.293 1.00 0.00 S ATOM 337 CE MET A 31 -15.166 -24.862 -4.343 1.00 0.00 C ATOM 0 H MET A 31 -13.727 -21.843 -7.966 1.00 0.00 H new ATOM 0 HA MET A 31 -14.244 -24.252 -9.628 1.00 0.00 H new ATOM 0 HB2 MET A 31 -15.902 -24.864 -7.819 1.00 0.00 H new ATOM 0 HB3 MET A 31 -14.234 -24.914 -7.283 1.00 0.00 H new ATOM 0 HG2 MET A 31 -14.436 -22.896 -6.027 1.00 0.00 H new ATOM 0 HG3 MET A 31 -15.832 -22.351 -6.936 1.00 0.00 H new ATOM 0 HE1 MET A 31 -15.627 -25.415 -3.525 1.00 0.00 H new ATOM 0 HE2 MET A 31 -14.632 -25.554 -4.993 1.00 0.00 H new ATOM 0 HE3 MET A 31 -14.466 -24.131 -3.938 1.00 0.00 H new ATOM 347 N ASN A 32 -15.748 -21.439 -9.395 1.00 0.00 N ATOM 348 CA ASN A 32 -16.833 -20.610 -9.917 1.00 0.00 C ATOM 349 C ASN A 32 -16.309 -19.231 -10.315 1.00 0.00 C ATOM 350 O ASN A 32 -16.626 -18.229 -9.677 1.00 0.00 O ATOM 351 CB ASN A 32 -17.923 -20.461 -8.852 1.00 0.00 C ATOM 352 CG ASN A 32 -19.179 -19.840 -9.457 1.00 0.00 C ATOM 353 OD1 ASN A 32 -19.885 -19.092 -8.781 1.00 0.00 O ATOM 354 ND2 ASN A 32 -19.507 -20.112 -10.691 1.00 0.00 N ATOM 0 H ASN A 32 -14.985 -20.917 -8.963 1.00 0.00 H new ATOM 0 HA ASN A 32 -17.250 -21.093 -10.801 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -18.161 -21.436 -8.427 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -17.559 -19.838 -8.035 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -20.350 -19.704 -11.096 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -18.921 -20.732 -11.250 1.00 0.00 H new ATOM 361 N PRO A 33 -15.511 -19.169 -11.350 1.00 0.00 N ATOM 362 CA PRO A 33 -14.922 -17.891 -11.843 1.00 0.00 C ATOM 363 C PRO A 33 -15.893 -17.106 -12.726 1.00 0.00 C ATOM 364 O PRO A 33 -16.866 -17.657 -13.235 1.00 0.00 O ATOM 365 CB PRO A 33 -13.704 -18.362 -12.642 1.00 0.00 C ATOM 366 CG PRO A 33 -14.101 -19.700 -13.188 1.00 0.00 C ATOM 367 CD PRO A 33 -15.078 -20.316 -12.170 1.00 0.00 C ATOM 0 HA PRO A 33 -14.675 -17.205 -11.033 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -13.462 -17.664 -13.443 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -12.820 -18.439 -12.008 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -14.573 -19.596 -14.165 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -13.228 -20.338 -13.323 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -15.923 -20.793 -12.666 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -14.592 -21.080 -11.563 1.00 0.00 H new ATOM 375 N ASP A 34 -15.609 -15.815 -12.889 1.00 0.00 N ATOM 376 CA ASP A 34 -16.453 -14.934 -13.708 1.00 0.00 C ATOM 377 C ASP A 34 -17.703 -14.524 -12.936 1.00 0.00 C ATOM 378 O ASP A 34 -18.732 -14.197 -13.530 1.00 0.00 O ATOM 379 CB ASP A 34 -16.853 -15.632 -15.020 1.00 0.00 C ATOM 380 CG ASP A 34 -15.704 -16.501 -15.521 1.00 0.00 C ATOM 381 OD1 ASP A 34 -14.566 -16.179 -15.215 1.00 0.00 O ATOM 382 OD2 ASP A 34 -15.976 -17.474 -16.204 1.00 0.00 O ATOM 0 H ASP A 34 -14.804 -15.353 -12.467 1.00 0.00 H new ATOM 0 HA ASP A 34 -15.877 -14.040 -13.948 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -17.740 -16.245 -14.860 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -17.112 -14.888 -15.773 1.00 0.00 H new ATOM 387 N LYS A 35 -17.605 -14.540 -11.606 1.00 0.00 N ATOM 388 CA LYS A 35 -18.730 -14.165 -10.744 1.00 0.00 C ATOM 389 C LYS A 35 -18.301 -13.096 -9.751 1.00 0.00 C ATOM 390 O LYS A 35 -18.976 -12.857 -8.749 1.00 0.00 O ATOM 391 CB LYS A 35 -19.247 -15.393 -9.990 1.00 0.00 C ATOM 392 CG LYS A 35 -19.561 -16.521 -10.982 1.00 0.00 C ATOM 393 CD LYS A 35 -20.784 -16.153 -11.833 1.00 0.00 C ATOM 394 CE LYS A 35 -21.354 -17.416 -12.485 1.00 0.00 C ATOM 395 NZ LYS A 35 -22.293 -17.028 -13.577 1.00 0.00 N ATOM 0 H LYS A 35 -16.760 -14.808 -11.101 1.00 0.00 H new ATOM 0 HA LYS A 35 -19.529 -13.767 -11.370 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -18.502 -15.728 -9.269 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -20.143 -15.134 -9.426 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -18.700 -16.698 -11.627 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -19.751 -17.448 -10.441 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -21.543 -15.678 -11.211 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -20.503 -15.431 -12.600 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -20.546 -18.028 -12.885 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -21.873 -18.020 -11.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -22.681 -17.884 -14.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -23.070 -16.460 -13.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -21.784 -16.468 -14.290 1.00 0.00 H new ATOM 409 N VAL A 36 -17.184 -12.444 -10.044 1.00 0.00 N ATOM 410 CA VAL A 36 -16.690 -11.387 -9.181 1.00 0.00 C ATOM 411 C VAL A 36 -17.509 -10.121 -9.410 1.00 0.00 C ATOM 412 O VAL A 36 -18.207 -9.994 -10.417 1.00 0.00 O ATOM 413 CB VAL A 36 -15.215 -11.111 -9.479 1.00 0.00 C ATOM 414 CG1 VAL A 36 -14.415 -12.408 -9.353 1.00 0.00 C ATOM 415 CG2 VAL A 36 -15.078 -10.565 -10.901 1.00 0.00 C ATOM 0 H VAL A 36 -16.609 -12.628 -10.866 1.00 0.00 H new ATOM 0 HA VAL A 36 -16.786 -11.699 -8.141 1.00 0.00 H new ATOM 0 HB VAL A 36 -14.832 -10.379 -8.768 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -13.365 -12.210 -9.566 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -14.513 -12.799 -8.340 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -14.797 -13.141 -10.063 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -14.028 -10.368 -11.115 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -15.462 -11.298 -11.611 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -15.647 -9.640 -10.992 1.00 0.00 H new ATOM 425 N SER A 37 -17.425 -9.196 -8.471 1.00 0.00 N ATOM 426 CA SER A 37 -18.169 -7.946 -8.571 1.00 0.00 C ATOM 427 C SER A 37 -18.036 -7.344 -9.965 1.00 0.00 C ATOM 428 O SER A 37 -17.001 -7.479 -10.616 1.00 0.00 O ATOM 429 CB SER A 37 -17.656 -6.949 -7.530 1.00 0.00 C ATOM 430 OG SER A 37 -18.345 -5.715 -7.686 1.00 0.00 O ATOM 0 H SER A 37 -16.852 -9.283 -7.632 1.00 0.00 H new ATOM 0 HA SER A 37 -19.221 -8.160 -8.384 1.00 0.00 H new ATOM 0 HB2 SER A 37 -17.812 -7.342 -6.525 1.00 0.00 H new ATOM 0 HB3 SER A 37 -16.583 -6.798 -7.651 1.00 0.00 H new ATOM 0 HG SER A 37 -18.021 -5.073 -7.020 1.00 0.00 H new ATOM 436 N GLN A 38 -19.099 -6.685 -10.415 1.00 0.00 N ATOM 437 CA GLN A 38 -19.104 -6.070 -11.739 1.00 0.00 C ATOM 438 C GLN A 38 -17.827 -5.265 -11.962 1.00 0.00 C ATOM 439 O GLN A 38 -17.209 -5.357 -13.022 1.00 0.00 O ATOM 440 CB GLN A 38 -20.331 -5.160 -11.895 1.00 0.00 C ATOM 441 CG GLN A 38 -20.187 -3.928 -10.998 1.00 0.00 C ATOM 442 CD GLN A 38 -21.525 -3.203 -10.890 1.00 0.00 C ATOM 443 OE1 GLN A 38 -22.005 -2.638 -11.871 1.00 0.00 O ATOM 444 NE2 GLN A 38 -22.158 -3.188 -9.749 1.00 0.00 N ATOM 0 H GLN A 38 -19.963 -6.563 -9.887 1.00 0.00 H new ATOM 0 HA GLN A 38 -19.151 -6.862 -12.486 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -20.436 -4.852 -12.935 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -21.236 -5.708 -11.632 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -19.845 -4.227 -10.007 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -19.432 -3.256 -11.407 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -21.757 -3.658 -8.937 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -23.054 -2.707 -9.669 1.00 0.00 H new ATOM 453 N ALA A 39 -17.432 -4.481 -10.966 1.00 0.00 N ATOM 454 CA ALA A 39 -16.219 -3.687 -11.099 1.00 0.00 C ATOM 455 C ALA A 39 -15.021 -4.614 -11.257 1.00 0.00 C ATOM 456 O ALA A 39 -14.240 -4.483 -12.199 1.00 0.00 O ATOM 457 CB ALA A 39 -16.026 -2.798 -9.863 1.00 0.00 C ATOM 0 H ALA A 39 -17.922 -4.379 -10.077 1.00 0.00 H new ATOM 0 HA ALA A 39 -16.307 -3.049 -11.979 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -15.115 -2.210 -9.976 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -16.880 -2.128 -9.760 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -15.946 -3.423 -8.974 1.00 0.00 H new ATOM 463 N THR A 40 -14.887 -5.553 -10.328 1.00 0.00 N ATOM 464 CA THR A 40 -13.785 -6.506 -10.364 1.00 0.00 C ATOM 465 C THR A 40 -13.884 -7.395 -11.599 1.00 0.00 C ATOM 466 O THR A 40 -12.889 -7.961 -12.043 1.00 0.00 O ATOM 467 CB THR A 40 -13.805 -7.375 -9.105 1.00 0.00 C ATOM 468 OG1 THR A 40 -13.705 -6.543 -7.957 1.00 0.00 O ATOM 469 CG2 THR A 40 -12.627 -8.355 -9.132 1.00 0.00 C ATOM 0 H THR A 40 -15.526 -5.675 -9.542 1.00 0.00 H new ATOM 0 HA THR A 40 -12.849 -5.948 -10.406 1.00 0.00 H new ATOM 0 HB THR A 40 -14.738 -7.938 -9.069 1.00 0.00 H new ATOM 0 HG1 THR A 40 -13.719 -7.097 -7.149 1.00 0.00 H new ATOM 0 HG21 THR A 40 -12.646 -8.971 -8.233 1.00 0.00 H new ATOM 0 HG22 THR A 40 -12.705 -8.994 -10.012 1.00 0.00 H new ATOM 0 HG23 THR A 40 -11.691 -7.798 -9.170 1.00 0.00 H new ATOM 477 N ARG A 41 -15.087 -7.514 -12.150 1.00 0.00 N ATOM 478 CA ARG A 41 -15.291 -8.339 -13.336 1.00 0.00 C ATOM 479 C ARG A 41 -14.638 -7.689 -14.546 1.00 0.00 C ATOM 480 O ARG A 41 -13.977 -8.353 -15.343 1.00 0.00 O ATOM 481 CB ARG A 41 -16.786 -8.536 -13.599 1.00 0.00 C ATOM 482 CG ARG A 41 -16.975 -9.441 -14.819 1.00 0.00 C ATOM 483 CD ARG A 41 -18.418 -9.946 -14.867 1.00 0.00 C ATOM 484 NE ARG A 41 -18.712 -10.502 -16.182 1.00 0.00 N ATOM 485 CZ ARG A 41 -18.147 -11.632 -16.594 1.00 0.00 C ATOM 486 NH1 ARG A 41 -17.313 -12.266 -15.814 1.00 0.00 N ATOM 487 NH2 ARG A 41 -18.422 -12.109 -17.776 1.00 0.00 N ATOM 0 H ARG A 41 -15.928 -7.055 -11.799 1.00 0.00 H new ATOM 0 HA ARG A 41 -14.832 -9.312 -13.162 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -17.264 -8.980 -12.726 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -17.266 -7.572 -13.770 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -16.741 -8.892 -15.731 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -16.286 -10.284 -14.769 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -18.571 -10.705 -14.100 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -19.105 -9.129 -14.648 1.00 0.00 H new ATOM 0 HE ARG A 41 -19.363 -10.015 -16.797 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -17.096 -11.894 -14.890 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -16.879 -13.133 -16.129 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -19.072 -11.615 -18.387 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -17.987 -12.977 -18.090 1.00 0.00 H new ATOM 501 N ASN A 42 -14.841 -6.389 -14.692 1.00 0.00 N ATOM 502 CA ASN A 42 -14.270 -5.671 -15.820 1.00 0.00 C ATOM 503 C ASN A 42 -12.771 -5.466 -15.631 1.00 0.00 C ATOM 504 O ASN A 42 -11.992 -5.634 -16.569 1.00 0.00 O ATOM 505 CB ASN A 42 -14.960 -4.317 -15.986 1.00 0.00 C ATOM 506 CG ASN A 42 -16.465 -4.514 -16.134 1.00 0.00 C ATOM 507 OD1 ASN A 42 -16.906 -5.400 -16.866 1.00 0.00 O ATOM 508 ND2 ASN A 42 -17.283 -3.738 -15.478 1.00 0.00 N ATOM 0 H ASN A 42 -15.390 -5.815 -14.052 1.00 0.00 H new ATOM 0 HA ASN A 42 -14.428 -6.268 -16.718 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -14.751 -3.685 -15.123 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -14.564 -3.803 -16.862 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -18.291 -3.865 -15.571 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -16.915 -3.005 -14.872 1.00 0.00 H new ATOM 515 N ARG A 43 -12.370 -5.083 -14.421 1.00 0.00 N ATOM 516 CA ARG A 43 -10.960 -4.838 -14.139 1.00 0.00 C ATOM 517 C ARG A 43 -10.138 -6.117 -14.236 1.00 0.00 C ATOM 518 O ARG A 43 -9.043 -6.109 -14.797 1.00 0.00 O ATOM 519 CB ARG A 43 -10.811 -4.239 -12.739 1.00 0.00 C ATOM 520 CG ARG A 43 -11.475 -2.861 -12.700 1.00 0.00 C ATOM 521 CD ARG A 43 -11.286 -2.241 -11.316 1.00 0.00 C ATOM 522 NE ARG A 43 -9.890 -1.872 -11.114 1.00 0.00 N ATOM 523 CZ ARG A 43 -9.526 -1.084 -10.108 1.00 0.00 C ATOM 524 NH1 ARG A 43 -10.426 -0.628 -9.278 1.00 0.00 N ATOM 525 NH2 ARG A 43 -8.271 -0.767 -9.948 1.00 0.00 N ATOM 0 H ARG A 43 -12.995 -4.937 -13.628 1.00 0.00 H new ATOM 0 HA ARG A 43 -10.586 -4.138 -14.886 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -11.269 -4.896 -12.000 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -9.756 -4.154 -12.479 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -11.040 -2.214 -13.462 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -12.537 -2.951 -12.927 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -11.920 -1.360 -11.215 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.597 -2.948 -10.547 1.00 0.00 H new ATOM 0 HE ARG A 43 -9.180 -2.225 -11.756 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -11.407 -0.877 -9.403 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -10.147 -0.023 -8.505 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -7.568 -1.124 -10.595 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -7.992 -0.162 -9.176 1.00 0.00 H new ATOM 539 N VAL A 44 -10.650 -7.213 -13.684 1.00 0.00 N ATOM 540 CA VAL A 44 -9.906 -8.466 -13.734 1.00 0.00 C ATOM 541 C VAL A 44 -9.767 -8.942 -15.175 1.00 0.00 C ATOM 542 O VAL A 44 -8.707 -9.420 -15.579 1.00 0.00 O ATOM 543 CB VAL A 44 -10.575 -9.547 -12.867 1.00 0.00 C ATOM 544 CG1 VAL A 44 -11.817 -10.105 -13.564 1.00 0.00 C ATOM 545 CG2 VAL A 44 -9.583 -10.687 -12.627 1.00 0.00 C ATOM 0 H VAL A 44 -11.552 -7.261 -13.209 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.911 -8.285 -13.328 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.873 -9.099 -11.919 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -12.275 -10.868 -12.935 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -12.531 -9.299 -13.736 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -11.531 -10.546 -14.519 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -10.053 -11.455 -12.013 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.286 -11.118 -13.583 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.702 -10.301 -12.114 1.00 0.00 H new ATOM 555 N GLU A 45 -10.841 -8.812 -15.950 1.00 0.00 N ATOM 556 CA GLU A 45 -10.812 -9.241 -17.343 1.00 0.00 C ATOM 557 C GLU A 45 -9.608 -8.642 -18.063 1.00 0.00 C ATOM 558 O GLU A 45 -8.844 -9.359 -18.709 1.00 0.00 O ATOM 559 CB GLU A 45 -12.100 -8.818 -18.059 1.00 0.00 C ATOM 560 CG GLU A 45 -12.012 -9.199 -19.540 1.00 0.00 C ATOM 561 CD GLU A 45 -13.385 -9.067 -20.193 1.00 0.00 C ATOM 562 OE1 GLU A 45 -14.324 -8.734 -19.491 1.00 0.00 O ATOM 563 OE2 GLU A 45 -13.474 -9.303 -21.387 1.00 0.00 O ATOM 0 H GLU A 45 -11.730 -8.418 -15.641 1.00 0.00 H new ATOM 0 HA GLU A 45 -10.732 -10.328 -17.362 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -12.960 -9.303 -17.599 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -12.248 -7.743 -17.958 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.295 -8.555 -20.048 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.649 -10.222 -19.640 1.00 0.00 H new ATOM 570 N LYS A 46 -9.437 -7.328 -17.944 1.00 0.00 N ATOM 571 CA LYS A 46 -8.312 -6.653 -18.588 1.00 0.00 C ATOM 572 C LYS A 46 -6.994 -6.992 -17.889 1.00 0.00 C ATOM 573 O LYS A 46 -5.950 -7.104 -18.531 1.00 0.00 O ATOM 574 CB LYS A 46 -8.531 -5.137 -18.561 1.00 0.00 C ATOM 575 CG LYS A 46 -7.347 -4.431 -19.231 1.00 0.00 C ATOM 576 CD LYS A 46 -7.692 -2.956 -19.448 1.00 0.00 C ATOM 577 CE LYS A 46 -6.430 -2.184 -19.833 1.00 0.00 C ATOM 578 NZ LYS A 46 -6.812 -0.862 -20.407 1.00 0.00 N ATOM 0 H LYS A 46 -10.055 -6.714 -17.414 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.254 -6.998 -19.620 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -9.457 -4.885 -19.078 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.636 -4.794 -17.532 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.457 -4.520 -18.609 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.118 -4.907 -20.185 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.443 -2.860 -20.232 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.124 -2.536 -18.540 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.796 -2.043 -18.958 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.850 -2.754 -20.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.954 -0.336 -20.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.401 -1.007 -21.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.348 -0.319 -19.701 1.00 0.00 H new ATOM 592 N ALA A 47 -7.053 -7.143 -16.568 1.00 0.00 N ATOM 593 CA ALA A 47 -5.864 -7.458 -15.780 1.00 0.00 C ATOM 594 C ALA A 47 -5.345 -8.857 -16.099 1.00 0.00 C ATOM 595 O ALA A 47 -4.177 -9.164 -15.857 1.00 0.00 O ATOM 596 CB ALA A 47 -6.182 -7.357 -14.285 1.00 0.00 C ATOM 0 H ALA A 47 -7.910 -7.053 -16.022 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.089 -6.736 -16.039 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -5.289 -7.594 -13.706 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.509 -6.344 -14.050 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.975 -8.061 -14.033 1.00 0.00 H new ATOM 602 N ALA A 48 -6.214 -9.702 -16.644 1.00 0.00 N ATOM 603 CA ALA A 48 -5.818 -11.061 -16.990 1.00 0.00 C ATOM 604 C ALA A 48 -4.879 -11.054 -18.193 1.00 0.00 C ATOM 605 O ALA A 48 -3.836 -11.708 -18.184 1.00 0.00 O ATOM 606 CB ALA A 48 -7.057 -11.899 -17.314 1.00 0.00 C ATOM 0 H ALA A 48 -7.186 -9.473 -16.853 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.297 -11.497 -16.137 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.753 -12.914 -17.572 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -7.715 -11.927 -16.445 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.587 -11.454 -18.156 1.00 0.00 H new ATOM 612 N ARG A 49 -5.259 -10.308 -19.226 1.00 0.00 N ATOM 613 CA ARG A 49 -4.445 -10.221 -20.435 1.00 0.00 C ATOM 614 C ARG A 49 -3.207 -9.359 -20.198 1.00 0.00 C ATOM 615 O ARG A 49 -2.113 -9.695 -20.653 1.00 0.00 O ATOM 616 CB ARG A 49 -5.273 -9.627 -21.576 1.00 0.00 C ATOM 617 CG ARG A 49 -4.395 -9.471 -22.823 1.00 0.00 C ATOM 618 CD ARG A 49 -5.277 -9.143 -24.029 1.00 0.00 C ATOM 619 NE ARG A 49 -6.245 -8.110 -23.680 1.00 0.00 N ATOM 620 CZ ARG A 49 -7.048 -7.581 -24.598 1.00 0.00 C ATOM 621 NH1 ARG A 49 -6.977 -7.985 -25.837 1.00 0.00 N ATOM 622 NH2 ARG A 49 -7.905 -6.658 -24.261 1.00 0.00 N ATOM 0 H ARG A 49 -6.118 -9.759 -19.251 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.121 -11.227 -20.702 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.123 -10.273 -21.796 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.677 -8.659 -21.280 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.662 -8.679 -22.668 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.837 -10.390 -23.006 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.658 -8.805 -24.860 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.797 -10.041 -24.363 1.00 0.00 H new ATOM 0 HE ARG A 49 -6.307 -7.787 -22.714 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -6.306 -8.706 -26.101 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -7.593 -7.579 -26.542 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -7.959 -6.342 -23.293 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -8.521 -6.252 -24.966 1.00 0.00 H new ATOM 636 N GLU A 50 -3.384 -8.246 -19.491 1.00 0.00 N ATOM 637 CA GLU A 50 -2.269 -7.346 -19.213 1.00 0.00 C ATOM 638 C GLU A 50 -1.180 -8.060 -18.418 1.00 0.00 C ATOM 639 O GLU A 50 -0.005 -8.016 -18.783 1.00 0.00 O ATOM 640 CB GLU A 50 -2.762 -6.125 -18.426 1.00 0.00 C ATOM 641 CG GLU A 50 -3.543 -5.186 -19.353 1.00 0.00 C ATOM 642 CD GLU A 50 -3.895 -3.900 -18.613 1.00 0.00 C ATOM 643 OE1 GLU A 50 -4.437 -3.995 -17.526 1.00 0.00 O ATOM 644 OE2 GLU A 50 -3.612 -2.838 -19.143 1.00 0.00 O ATOM 0 H GLU A 50 -4.279 -7.948 -19.104 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.850 -7.020 -20.165 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.397 -6.446 -17.600 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -1.914 -5.597 -17.989 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.948 -4.956 -20.237 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.452 -5.677 -19.700 1.00 0.00 H new ATOM 651 N VAL A 51 -1.571 -8.716 -17.327 1.00 0.00 N ATOM 652 CA VAL A 51 -0.607 -9.427 -16.493 1.00 0.00 C ATOM 653 C VAL A 51 -0.199 -10.741 -17.156 1.00 0.00 C ATOM 654 O VAL A 51 0.704 -11.433 -16.689 1.00 0.00 O ATOM 655 CB VAL A 51 -1.203 -9.685 -15.102 1.00 0.00 C ATOM 656 CG1 VAL A 51 -0.150 -10.350 -14.209 1.00 0.00 C ATOM 657 CG2 VAL A 51 -1.629 -8.349 -14.481 1.00 0.00 C ATOM 0 H VAL A 51 -2.537 -8.770 -17.003 1.00 0.00 H new ATOM 0 HA VAL A 51 0.284 -8.810 -16.380 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.068 -10.342 -15.190 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.574 -10.533 -13.221 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.158 -11.297 -14.653 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.716 -9.694 -14.117 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.053 -8.526 -13.493 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.761 -7.696 -14.392 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.376 -7.874 -15.117 1.00 0.00 H new ATOM 667 N GLY A 52 -0.865 -11.065 -18.262 1.00 0.00 N ATOM 668 CA GLY A 52 -0.562 -12.284 -19.002 1.00 0.00 C ATOM 669 C GLY A 52 -0.756 -13.528 -18.140 1.00 0.00 C ATOM 670 O GLY A 52 0.142 -14.365 -18.035 1.00 0.00 O ATOM 0 H GLY A 52 -1.615 -10.502 -18.663 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.204 -12.346 -19.881 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.467 -12.246 -19.361 1.00 0.00 H new ATOM 674 N TYR A 53 -1.934 -13.651 -17.533 1.00 0.00 N ATOM 675 CA TYR A 53 -2.237 -14.808 -16.689 1.00 0.00 C ATOM 676 C TYR A 53 -2.936 -15.892 -17.506 1.00 0.00 C ATOM 677 O TYR A 53 -3.906 -15.620 -18.215 1.00 0.00 O ATOM 678 CB TYR A 53 -3.135 -14.395 -15.522 1.00 0.00 C ATOM 679 CG TYR A 53 -3.473 -15.620 -14.706 1.00 0.00 C ATOM 680 CD1 TYR A 53 -2.520 -16.157 -13.833 1.00 0.00 C ATOM 681 CD2 TYR A 53 -4.729 -16.226 -14.829 1.00 0.00 C ATOM 682 CE1 TYR A 53 -2.823 -17.297 -13.083 1.00 0.00 C ATOM 683 CE2 TYR A 53 -5.034 -17.366 -14.077 1.00 0.00 C ATOM 684 CZ TYR A 53 -4.080 -17.902 -13.204 1.00 0.00 C ATOM 685 OH TYR A 53 -4.378 -19.028 -12.463 1.00 0.00 O ATOM 0 H TYR A 53 -2.690 -12.971 -17.608 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.298 -15.201 -16.298 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.629 -13.656 -14.900 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -4.046 -13.928 -15.895 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.550 -15.691 -13.739 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.463 -15.813 -15.505 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.087 -17.711 -12.410 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.004 -17.832 -14.170 1.00 0.00 H new ATOM 0 HH TYR A 53 -5.291 -19.320 -12.665 1.00 0.00 H new ATOM 695 N LEU A 54 -2.437 -17.124 -17.400 1.00 0.00 N ATOM 696 CA LEU A 54 -3.013 -18.258 -18.130 1.00 0.00 C ATOM 697 C LEU A 54 -3.226 -19.438 -17.174 1.00 0.00 C ATOM 698 O LEU A 54 -2.509 -19.569 -16.183 1.00 0.00 O ATOM 699 CB LEU A 54 -2.058 -18.675 -19.262 1.00 0.00 C ATOM 700 CG LEU A 54 -2.201 -17.715 -20.469 1.00 0.00 C ATOM 701 CD1 LEU A 54 -0.876 -17.641 -21.235 1.00 0.00 C ATOM 702 CD2 LEU A 54 -3.294 -18.217 -21.423 1.00 0.00 C ATOM 0 H LEU A 54 -1.636 -17.364 -16.816 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.974 -17.964 -18.553 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.030 -18.665 -18.901 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.277 -19.696 -19.573 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.470 -16.728 -20.093 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.983 -16.964 -22.083 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.093 -17.272 -20.573 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.608 -18.634 -21.595 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.383 -17.532 -22.266 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.031 -19.210 -21.788 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.245 -18.266 -20.893 1.00 0.00 H new ATOM 714 N PRO A 55 -4.184 -20.295 -17.445 1.00 0.00 N ATOM 715 CA PRO A 55 -4.464 -21.478 -16.573 1.00 0.00 C ATOM 716 C PRO A 55 -3.379 -22.548 -16.700 1.00 0.00 C ATOM 717 O PRO A 55 -2.387 -22.445 -15.998 1.00 0.00 O ATOM 718 CB PRO A 55 -5.818 -21.988 -17.088 1.00 0.00 C ATOM 719 CG PRO A 55 -5.853 -21.576 -18.525 1.00 0.00 C ATOM 720 CD PRO A 55 -5.105 -20.242 -18.598 1.00 0.00 C ATOM 0 HA PRO A 55 -4.480 -21.223 -15.513 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.900 -23.070 -16.983 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -6.645 -21.550 -16.530 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -5.378 -22.325 -19.158 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -6.879 -21.468 -18.875 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.564 -20.137 -19.538 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.788 -19.395 -18.527 1.00 0.00 H new TER 728 PRO A 55