USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 367 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 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 69:sc= 0.914 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.0052) USER MOD Single : A 30 LYS NZ :NH3+ -156:sc= -1.41 (180deg=-2.19) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.359 USER MOD Single : A 48 ASN : amide:sc= -11.9! C(o=-12!,f=-12!) USER MOD Single : A 49 ASN : amide:sc= -1.07 K(o=-1.1,f=-1.8) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 135:sc= -0.249 (180deg=-1.34!) USER MOD Single : A 56 THR OG1 : rot 65:sc= 1.39 USER MOD Single : A 57 SER OG : rot -170:sc= -0.414 USER MOD Single : A 58 THR OG1 : rot 119:sc= 0.962 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.279 X(o=-0.28,f=-0.28) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 21 0.212 19.309 -5.373 1.00 0.00 N ATOM 2 CA LYS A 21 -0.580 18.047 -5.485 1.00 0.00 C ATOM 3 C LYS A 21 -0.774 17.788 -6.965 1.00 0.00 C ATOM 4 O LYS A 21 -0.838 16.675 -7.432 1.00 0.00 O ATOM 5 CB LYS A 21 -1.951 18.206 -4.772 1.00 0.00 C ATOM 6 CG LYS A 21 -1.983 17.411 -3.446 1.00 0.00 C ATOM 7 CD LYS A 21 -2.488 15.985 -3.697 1.00 0.00 C ATOM 8 CE LYS A 21 -2.241 15.129 -2.455 1.00 0.00 C ATOM 9 NZ LYS A 21 -2.634 13.719 -2.738 1.00 0.00 N ATOM 0 HA LYS A 21 -0.064 17.213 -5.009 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.141 19.261 -4.572 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.749 17.857 -5.428 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.985 17.380 -3.008 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.631 17.913 -2.728 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.552 16.001 -3.934 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.976 15.553 -4.557 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.189 15.175 -2.172 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.815 15.516 -1.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.466 13.136 -1.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.643 13.683 -2.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.067 13.353 -3.530 1.00 0.00 H new ATOM 23 N LEU A 22 -0.848 18.847 -7.677 1.00 0.00 N ATOM 24 CA LEU A 22 -1.027 18.813 -9.141 1.00 0.00 C ATOM 25 C LEU A 22 -0.114 17.773 -9.807 1.00 0.00 C ATOM 26 O LEU A 22 -0.581 16.833 -10.406 1.00 0.00 O ATOM 27 CB LEU A 22 -0.640 20.212 -9.605 1.00 0.00 C ATOM 28 CG LEU A 22 -0.302 20.256 -11.102 1.00 0.00 C ATOM 29 CD1 LEU A 22 -1.457 19.663 -11.922 1.00 0.00 C ATOM 30 CD2 LEU A 22 -0.080 21.713 -11.519 1.00 0.00 C ATOM 0 H LEU A 22 -0.789 19.789 -7.290 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.047 18.536 -9.408 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.460 20.900 -9.399 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.219 20.558 -9.030 1.00 0.00 H new ATOM 0 HG LEU A 22 0.599 19.672 -11.286 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.207 19.699 -12.982 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.621 18.628 -11.623 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.364 20.241 -11.743 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.161 21.755 -12.581 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.987 22.288 -11.330 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.744 22.135 -10.943 1.00 0.00 H new ATOM 42 N LEU A 23 1.184 17.942 -9.731 1.00 0.00 N ATOM 43 CA LEU A 23 2.097 16.974 -10.396 1.00 0.00 C ATOM 44 C LEU A 23 2.322 15.836 -9.435 1.00 0.00 C ATOM 45 O LEU A 23 2.323 14.676 -9.790 1.00 0.00 O ATOM 46 CB LEU A 23 3.422 17.681 -10.736 1.00 0.00 C ATOM 47 CG LEU A 23 3.995 17.154 -12.071 1.00 0.00 C ATOM 48 CD1 LEU A 23 3.339 17.888 -13.248 1.00 0.00 C ATOM 49 CD2 LEU A 23 5.509 17.389 -12.116 1.00 0.00 C ATOM 0 H LEU A 23 1.645 18.707 -9.238 1.00 0.00 H new ATOM 0 HA LEU A 23 1.671 16.593 -11.324 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.259 18.757 -10.804 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.143 17.518 -9.935 1.00 0.00 H new ATOM 0 HG LEU A 23 3.787 16.087 -12.145 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.748 17.511 -14.185 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.262 17.719 -13.228 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.540 18.956 -13.168 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.907 17.015 -13.059 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.714 18.456 -12.033 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.984 16.863 -11.288 1.00 0.00 H new ATOM 61 N ILE A 24 2.469 16.179 -8.201 1.00 0.00 N ATOM 62 CA ILE A 24 2.652 15.157 -7.152 1.00 0.00 C ATOM 63 C ILE A 24 1.524 14.137 -7.334 1.00 0.00 C ATOM 64 O ILE A 24 1.601 13.006 -6.897 1.00 0.00 O ATOM 65 CB ILE A 24 2.575 15.848 -5.767 1.00 0.00 C ATOM 66 CG1 ILE A 24 2.721 17.382 -5.948 1.00 0.00 C ATOM 67 CG2 ILE A 24 3.691 15.324 -4.850 1.00 0.00 C ATOM 68 CD1 ILE A 24 2.991 18.056 -4.598 1.00 0.00 C ATOM 0 H ILE A 24 2.470 17.142 -7.866 1.00 0.00 H new ATOM 0 HA ILE A 24 3.618 14.656 -7.220 1.00 0.00 H new ATOM 0 HB ILE A 24 1.611 15.625 -5.309 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.536 17.597 -6.639 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.812 17.791 -6.390 1.00 0.00 H new ATOM 0 HG21 ILE A 24 3.626 15.817 -3.880 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.578 14.248 -4.718 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.661 15.535 -5.300 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.091 19.132 -4.742 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.162 17.856 -3.919 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.913 17.660 -4.171 1.00 0.00 H new ATOM 80 N THR A 25 0.485 14.550 -8.019 1.00 0.00 N ATOM 81 CA THR A 25 -0.659 13.639 -8.294 1.00 0.00 C ATOM 82 C THR A 25 -0.395 12.912 -9.618 1.00 0.00 C ATOM 83 O THR A 25 -0.647 11.732 -9.745 1.00 0.00 O ATOM 84 CB THR A 25 -1.951 14.460 -8.397 1.00 0.00 C ATOM 85 OG1 THR A 25 -2.331 14.900 -7.100 1.00 0.00 O ATOM 86 CG2 THR A 25 -3.074 13.605 -8.990 1.00 0.00 C ATOM 0 H THR A 25 0.384 15.490 -8.401 1.00 0.00 H new ATOM 0 HA THR A 25 -0.766 12.912 -7.489 1.00 0.00 H new ATOM 0 HB THR A 25 -1.777 15.319 -9.046 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.687 15.565 -6.779 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.986 14.198 -9.058 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.786 13.266 -9.985 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.250 12.741 -8.349 1.00 0.00 H new ATOM 94 N ILE A 26 0.123 13.605 -10.605 1.00 0.00 N ATOM 95 CA ILE A 26 0.409 12.933 -11.911 1.00 0.00 C ATOM 96 C ILE A 26 1.705 12.171 -11.770 1.00 0.00 C ATOM 97 O ILE A 26 1.816 10.994 -12.052 1.00 0.00 O ATOM 98 CB ILE A 26 0.585 14.004 -13.013 1.00 0.00 C ATOM 99 CG1 ILE A 26 -0.795 14.440 -13.560 1.00 0.00 C ATOM 100 CG2 ILE A 26 1.421 13.442 -14.184 1.00 0.00 C ATOM 101 CD1 ILE A 26 -1.445 15.453 -12.622 1.00 0.00 C ATOM 0 H ILE A 26 0.358 14.597 -10.563 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.410 12.265 -12.177 1.00 0.00 H new ATOM 0 HB ILE A 26 1.098 14.859 -12.572 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.678 14.876 -14.552 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.441 13.569 -13.669 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.535 14.209 -14.950 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.404 13.144 -13.819 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.915 12.576 -14.610 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.415 15.749 -13.022 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.580 15.004 -11.638 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.805 16.331 -12.535 1.00 0.00 H new ATOM 113 N HIS A 27 2.674 12.880 -11.352 1.00 0.00 N ATOM 114 CA HIS A 27 4.022 12.319 -11.175 1.00 0.00 C ATOM 115 C HIS A 27 3.953 11.058 -10.300 1.00 0.00 C ATOM 116 O HIS A 27 4.901 10.303 -10.217 1.00 0.00 O ATOM 117 CB HIS A 27 4.881 13.416 -10.526 1.00 0.00 C ATOM 118 CG HIS A 27 6.270 13.402 -11.096 1.00 0.00 C ATOM 119 ND1 HIS A 27 7.368 12.934 -10.397 1.00 0.00 N ATOM 120 CD2 HIS A 27 6.739 13.807 -12.315 1.00 0.00 C ATOM 121 CE1 HIS A 27 8.442 13.067 -11.199 1.00 0.00 C ATOM 122 NE2 HIS A 27 8.113 13.595 -12.382 1.00 0.00 N ATOM 0 H HIS A 27 2.594 13.868 -11.113 1.00 0.00 H new ATOM 0 HA HIS A 27 4.462 12.019 -12.126 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.423 14.391 -10.693 1.00 0.00 H new ATOM 0 HB3 HIS A 27 4.922 13.263 -9.448 1.00 0.00 H new ATOM 0 HD2 HIS A 27 6.135 14.227 -13.106 1.00 0.00 H new ATOM 0 HE1 HIS A 27 9.446 12.782 -10.920 1.00 0.00 H new ATOM 0 HE2 HIS A 27 8.735 13.799 -13.165 1.00 0.00 H new ATOM 130 N ASP A 28 2.831 10.824 -9.661 1.00 0.00 N ATOM 131 CA ASP A 28 2.675 9.608 -8.795 1.00 0.00 C ATOM 132 C ASP A 28 1.519 8.753 -9.319 1.00 0.00 C ATOM 133 O ASP A 28 1.595 7.541 -9.348 1.00 0.00 O ATOM 134 CB ASP A 28 2.370 10.034 -7.359 1.00 0.00 C ATOM 135 CG ASP A 28 3.572 10.781 -6.780 1.00 0.00 C ATOM 136 OD1 ASP A 28 3.992 11.750 -7.389 1.00 0.00 O ATOM 137 OD2 ASP A 28 4.052 10.370 -5.735 1.00 0.00 O ATOM 0 H ASP A 28 2.010 11.427 -9.702 1.00 0.00 H new ATOM 0 HA ASP A 28 3.600 9.032 -8.817 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.487 10.673 -7.338 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.145 9.159 -6.749 1.00 0.00 H new ATOM 142 N ARG A 29 0.446 9.373 -9.734 1.00 0.00 N ATOM 143 CA ARG A 29 -0.713 8.591 -10.253 1.00 0.00 C ATOM 144 C ARG A 29 -0.214 7.571 -11.279 1.00 0.00 C ATOM 145 O ARG A 29 -0.905 6.635 -11.630 1.00 0.00 O ATOM 146 CB ARG A 29 -1.725 9.544 -10.893 1.00 0.00 C ATOM 147 CG ARG A 29 -2.718 8.784 -11.793 1.00 0.00 C ATOM 148 CD ARG A 29 -4.031 9.568 -11.904 1.00 0.00 C ATOM 149 NE ARG A 29 -3.737 10.980 -12.278 1.00 0.00 N ATOM 150 CZ ARG A 29 -4.692 11.750 -12.722 1.00 0.00 C ATOM 151 NH1 ARG A 29 -5.904 11.281 -12.841 1.00 0.00 N ATOM 152 NH2 ARG A 29 -4.435 12.987 -13.047 1.00 0.00 N ATOM 0 H ARG A 29 0.323 10.386 -9.736 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.201 8.060 -9.435 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.271 10.075 -10.113 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.198 10.295 -11.482 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.286 8.639 -12.783 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.910 7.793 -11.381 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.678 9.110 -12.652 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.567 9.536 -10.956 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.789 11.345 -12.187 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.104 10.314 -12.587 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.652 11.882 -13.188 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.487 13.352 -12.954 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.182 13.589 -13.394 1.00 0.00 H new ATOM 166 N LYS A 30 0.988 7.740 -11.752 1.00 0.00 N ATOM 167 CA LYS A 30 1.540 6.777 -12.746 1.00 0.00 C ATOM 168 C LYS A 30 1.362 5.362 -12.203 1.00 0.00 C ATOM 169 O LYS A 30 0.894 4.474 -12.888 1.00 0.00 O ATOM 170 CB LYS A 30 3.028 7.061 -12.967 1.00 0.00 C ATOM 171 CG LYS A 30 3.519 6.287 -14.191 1.00 0.00 C ATOM 172 CD LYS A 30 5.049 6.284 -14.214 1.00 0.00 C ATOM 173 CE LYS A 30 5.566 7.723 -14.171 1.00 0.00 C ATOM 174 NZ LYS A 30 4.728 8.581 -15.055 1.00 0.00 N ATOM 0 H LYS A 30 1.613 8.503 -11.494 1.00 0.00 H new ATOM 0 HA LYS A 30 1.016 6.880 -13.696 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.188 8.130 -13.111 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.600 6.769 -12.086 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.143 5.264 -14.162 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.132 6.743 -15.102 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.434 5.723 -13.363 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.408 5.785 -15.114 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.538 8.100 -13.149 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.606 7.756 -14.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.276 9.414 -15.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.441 8.038 -15.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.881 8.891 -14.537 1.00 0.00 H new ATOM 188 N GLU A 31 1.716 5.152 -10.966 1.00 0.00 N ATOM 189 CA GLU A 31 1.552 3.805 -10.361 1.00 0.00 C ATOM 190 C GLU A 31 0.078 3.608 -10.015 1.00 0.00 C ATOM 191 O GLU A 31 -0.482 2.546 -10.204 1.00 0.00 O ATOM 192 CB GLU A 31 2.391 3.711 -9.087 1.00 0.00 C ATOM 193 CG GLU A 31 3.841 4.085 -9.401 1.00 0.00 C ATOM 194 CD GLU A 31 4.425 3.075 -10.390 1.00 0.00 C ATOM 195 OE1 GLU A 31 4.239 3.265 -11.581 1.00 0.00 O ATOM 196 OE2 GLU A 31 5.050 2.129 -9.941 1.00 0.00 O ATOM 0 H GLU A 31 2.113 5.859 -10.347 1.00 0.00 H new ATOM 0 HA GLU A 31 1.880 3.037 -11.061 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.989 4.378 -8.324 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.345 2.700 -8.682 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.886 5.090 -9.822 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.432 4.096 -8.485 1.00 0.00 H new ATOM 203 N PHE A 32 -0.558 4.633 -9.516 1.00 0.00 N ATOM 204 CA PHE A 32 -1.998 4.515 -9.163 1.00 0.00 C ATOM 205 C PHE A 32 -2.770 4.105 -10.408 1.00 0.00 C ATOM 206 O PHE A 32 -3.705 3.329 -10.361 1.00 0.00 O ATOM 207 CB PHE A 32 -2.506 5.872 -8.638 1.00 0.00 C ATOM 208 CG PHE A 32 -3.619 5.661 -7.633 1.00 0.00 C ATOM 209 CD1 PHE A 32 -3.314 5.260 -6.326 1.00 0.00 C ATOM 210 CD2 PHE A 32 -4.953 5.867 -8.008 1.00 0.00 C ATOM 211 CE1 PHE A 32 -4.343 5.065 -5.397 1.00 0.00 C ATOM 212 CE2 PHE A 32 -5.980 5.672 -7.078 1.00 0.00 C ATOM 213 CZ PHE A 32 -5.675 5.271 -5.772 1.00 0.00 C ATOM 0 H PHE A 32 -0.141 5.547 -9.338 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.141 3.764 -8.386 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.686 6.420 -8.174 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.866 6.480 -9.468 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.286 5.101 -6.035 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.189 6.176 -9.015 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.108 4.755 -4.389 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -7.008 5.831 -7.368 1.00 0.00 H new ATOM 0 HZ PHE A 32 -6.468 5.121 -5.054 1.00 0.00 H new ATOM 223 N ALA A 33 -2.366 4.623 -11.518 1.00 0.00 N ATOM 224 CA ALA A 33 -3.040 4.283 -12.798 1.00 0.00 C ATOM 225 C ALA A 33 -2.581 2.896 -13.251 1.00 0.00 C ATOM 226 O ALA A 33 -3.245 2.235 -14.018 1.00 0.00 O ATOM 227 CB ALA A 33 -2.672 5.319 -13.863 1.00 0.00 C ATOM 0 H ALA A 33 -1.588 5.277 -11.602 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.121 4.284 -12.656 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.167 5.068 -14.801 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.994 6.308 -13.536 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.592 5.320 -14.012 1.00 0.00 H new ATOM 233 N LYS A 34 -1.447 2.450 -12.783 1.00 0.00 N ATOM 234 CA LYS A 34 -0.950 1.101 -13.186 1.00 0.00 C ATOM 235 C LYS A 34 -1.563 0.040 -12.260 1.00 0.00 C ATOM 236 O LYS A 34 -2.287 -0.833 -12.694 1.00 0.00 O ATOM 237 CB LYS A 34 0.593 1.078 -13.085 1.00 0.00 C ATOM 238 CG LYS A 34 1.198 0.210 -14.201 1.00 0.00 C ATOM 239 CD LYS A 34 0.720 -1.243 -14.071 1.00 0.00 C ATOM 240 CE LYS A 34 1.171 -1.836 -12.728 1.00 0.00 C ATOM 241 NZ LYS A 34 1.274 -3.317 -12.854 1.00 0.00 N ATOM 0 H LYS A 34 -0.843 2.960 -12.139 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.241 0.884 -14.214 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.982 2.094 -13.156 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.893 0.689 -12.112 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.912 0.608 -15.175 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.286 0.247 -14.149 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.367 -1.283 -14.147 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.120 -1.839 -14.892 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.134 -1.416 -12.437 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.460 -1.575 -11.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.579 -3.722 -11.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.346 -3.709 -13.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.969 -3.555 -13.590 1.00 0.00 H new ATOM 255 N PHE A 35 -1.274 0.108 -10.987 1.00 0.00 N ATOM 256 CA PHE A 35 -1.836 -0.898 -10.041 1.00 0.00 C ATOM 257 C PHE A 35 -3.350 -0.965 -10.212 1.00 0.00 C ATOM 258 O PHE A 35 -4.004 -1.855 -9.715 1.00 0.00 O ATOM 259 CB PHE A 35 -1.489 -0.504 -8.598 1.00 0.00 C ATOM 260 CG PHE A 35 -0.060 -0.896 -8.291 1.00 0.00 C ATOM 261 CD1 PHE A 35 1.000 -0.129 -8.791 1.00 0.00 C ATOM 262 CD2 PHE A 35 0.205 -2.027 -7.509 1.00 0.00 C ATOM 263 CE1 PHE A 35 2.322 -0.492 -8.507 1.00 0.00 C ATOM 264 CE2 PHE A 35 1.527 -2.390 -7.226 1.00 0.00 C ATOM 265 CZ PHE A 35 2.586 -1.622 -7.725 1.00 0.00 C ATOM 0 H PHE A 35 -0.674 0.816 -10.563 1.00 0.00 H new ATOM 0 HA PHE A 35 -1.406 -1.877 -10.254 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -1.619 0.570 -8.463 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -2.169 -0.997 -7.903 1.00 0.00 H new ATOM 0 HD1 PHE A 35 0.797 0.743 -9.396 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -0.611 -2.620 -7.124 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.139 0.101 -8.892 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.730 -3.262 -6.623 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.606 -1.902 -7.506 1.00 0.00 H new ATOM 275 N GLU A 36 -3.908 -0.034 -10.914 1.00 0.00 N ATOM 276 CA GLU A 36 -5.377 -0.049 -11.123 1.00 0.00 C ATOM 277 C GLU A 36 -5.806 -1.414 -11.658 1.00 0.00 C ATOM 278 O GLU A 36 -6.805 -1.973 -11.261 1.00 0.00 O ATOM 279 CB GLU A 36 -5.754 1.084 -12.090 1.00 0.00 C ATOM 280 CG GLU A 36 -5.511 0.648 -13.523 1.00 0.00 C ATOM 281 CD GLU A 36 -5.769 1.820 -14.472 1.00 0.00 C ATOM 282 OE1 GLU A 36 -6.373 2.787 -14.036 1.00 0.00 O ATOM 283 OE2 GLU A 36 -5.359 1.731 -15.618 1.00 0.00 O ATOM 0 H GLU A 36 -3.413 0.741 -11.355 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.898 0.115 -10.180 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.802 1.353 -11.956 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.165 1.974 -11.867 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.486 0.295 -13.637 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.165 -0.187 -13.775 1.00 0.00 H new ATOM 290 N GLU A 37 -5.049 -1.925 -12.569 1.00 0.00 N ATOM 291 CA GLU A 37 -5.370 -3.244 -13.195 1.00 0.00 C ATOM 292 C GLU A 37 -5.510 -4.344 -12.134 1.00 0.00 C ATOM 293 O GLU A 37 -6.230 -5.304 -12.325 1.00 0.00 O ATOM 294 CB GLU A 37 -4.244 -3.619 -14.164 1.00 0.00 C ATOM 295 CG GLU A 37 -4.643 -4.854 -14.984 1.00 0.00 C ATOM 296 CD GLU A 37 -4.477 -6.117 -14.136 1.00 0.00 C ATOM 297 OE1 GLU A 37 -3.394 -6.316 -13.610 1.00 0.00 O ATOM 298 OE2 GLU A 37 -5.436 -6.863 -14.025 1.00 0.00 O ATOM 0 H GLU A 37 -4.200 -1.483 -12.922 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.319 -3.156 -13.723 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.034 -2.783 -14.831 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.328 -3.822 -13.609 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.677 -4.762 -15.317 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.025 -4.922 -15.879 1.00 0.00 H new ATOM 305 N GLU A 38 -4.820 -4.235 -11.033 1.00 0.00 N ATOM 306 CA GLU A 38 -4.902 -5.281 -9.996 1.00 0.00 C ATOM 307 C GLU A 38 -6.297 -5.315 -9.365 1.00 0.00 C ATOM 308 O GLU A 38 -6.975 -6.323 -9.384 1.00 0.00 O ATOM 309 CB GLU A 38 -3.876 -4.938 -8.929 1.00 0.00 C ATOM 310 CG GLU A 38 -2.466 -5.172 -9.477 1.00 0.00 C ATOM 311 CD GLU A 38 -1.438 -4.886 -8.382 1.00 0.00 C ATOM 312 OE1 GLU A 38 -1.804 -4.955 -7.220 1.00 0.00 O ATOM 313 OE2 GLU A 38 -0.301 -4.603 -8.723 1.00 0.00 O ATOM 0 H GLU A 38 -4.199 -3.456 -10.812 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.709 -6.259 -10.437 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.990 -3.898 -8.622 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.039 -5.552 -8.043 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.366 -6.200 -9.825 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.287 -4.526 -10.336 1.00 0.00 H new ATOM 320 N ARG A 39 -6.712 -4.221 -8.789 1.00 0.00 N ATOM 321 CA ARG A 39 -8.049 -4.146 -8.121 1.00 0.00 C ATOM 322 C ARG A 39 -9.006 -3.304 -8.941 1.00 0.00 C ATOM 323 O ARG A 39 -10.011 -2.903 -8.425 1.00 0.00 O ATOM 324 CB ARG A 39 -7.927 -3.572 -6.707 1.00 0.00 C ATOM 325 CG ARG A 39 -6.814 -2.514 -6.659 1.00 0.00 C ATOM 326 CD ARG A 39 -7.198 -1.430 -5.653 1.00 0.00 C ATOM 327 NE ARG A 39 -8.007 -2.033 -4.541 1.00 0.00 N ATOM 328 CZ ARG A 39 -8.149 -1.383 -3.417 1.00 0.00 C ATOM 329 NH1 ARG A 39 -7.574 -0.222 -3.258 1.00 0.00 N ATOM 330 NH2 ARG A 39 -8.867 -1.893 -2.455 1.00 0.00 N ATOM 0 H ARG A 39 -6.172 -3.357 -8.751 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.443 -5.160 -8.048 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -8.875 -3.127 -6.404 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.709 -4.372 -5.999 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.869 -2.975 -6.372 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.669 -2.076 -7.647 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.301 -0.961 -5.249 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.771 -0.647 -6.149 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.444 -2.947 -4.663 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.014 0.177 -4.011 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.685 0.286 -2.380 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.318 -2.799 -2.580 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.978 -1.385 -1.577 1.00 0.00 H new ATOM 344 N ALA A 40 -8.689 -3.009 -10.180 1.00 0.00 N ATOM 345 CA ALA A 40 -9.583 -2.166 -11.099 1.00 0.00 C ATOM 346 C ALA A 40 -11.089 -2.230 -10.750 1.00 0.00 C ATOM 347 O ALA A 40 -11.946 -1.854 -11.523 1.00 0.00 O ATOM 348 CB ALA A 40 -9.391 -2.620 -12.552 1.00 0.00 C ATOM 0 H ALA A 40 -7.824 -3.319 -10.623 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.273 -1.131 -10.956 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -10.025 -2.022 -13.207 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.348 -2.489 -12.839 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.663 -3.671 -12.644 1.00 0.00 H new ATOM 354 N ARG A 41 -11.383 -2.707 -9.616 1.00 0.00 N ATOM 355 CA ARG A 41 -12.734 -2.841 -9.109 1.00 0.00 C ATOM 356 C ARG A 41 -13.077 -1.603 -8.289 1.00 0.00 C ATOM 357 O ARG A 41 -14.214 -1.349 -7.994 1.00 0.00 O ATOM 358 CB ARG A 41 -12.662 -4.042 -8.209 1.00 0.00 C ATOM 359 CG ARG A 41 -12.265 -5.311 -9.040 1.00 0.00 C ATOM 360 CD ARG A 41 -11.107 -6.110 -8.382 1.00 0.00 C ATOM 361 NE ARG A 41 -10.059 -6.434 -9.409 1.00 0.00 N ATOM 362 CZ ARG A 41 -10.378 -6.932 -10.578 1.00 0.00 C ATOM 363 NH1 ARG A 41 -11.616 -7.240 -10.850 1.00 0.00 N ATOM 364 NH2 ARG A 41 -9.445 -7.148 -11.466 1.00 0.00 N ATOM 0 H ARG A 41 -10.675 -3.040 -8.961 1.00 0.00 H new ATOM 0 HA ARG A 41 -13.485 -2.946 -9.892 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.931 -3.871 -7.419 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -13.625 -4.201 -7.724 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.135 -5.959 -9.147 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -11.969 -5.007 -10.044 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -10.667 -5.528 -7.572 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -11.493 -7.029 -7.941 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.077 -6.262 -9.191 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -12.344 -7.094 -10.150 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -11.857 -7.627 -11.762 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.473 -6.929 -11.248 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.688 -7.536 -12.378 1.00 0.00 H new ATOM 378 N ALA A 42 -12.093 -0.830 -7.908 1.00 0.00 N ATOM 379 CA ALA A 42 -12.393 0.377 -7.079 1.00 0.00 C ATOM 380 C ALA A 42 -13.407 1.246 -7.785 1.00 0.00 C ATOM 381 O ALA A 42 -14.336 1.773 -7.205 1.00 0.00 O ATOM 382 CB ALA A 42 -11.108 1.172 -6.833 1.00 0.00 C ATOM 0 H ALA A 42 -11.109 -0.978 -8.130 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.803 0.058 -6.121 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.334 2.050 -6.228 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -10.387 0.545 -6.308 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.687 1.487 -7.788 1.00 0.00 H new ATOM 388 N LYS A 43 -13.211 1.382 -9.028 1.00 0.00 N ATOM 389 CA LYS A 43 -14.106 2.200 -9.876 1.00 0.00 C ATOM 390 C LYS A 43 -15.529 1.675 -9.897 1.00 0.00 C ATOM 391 O LYS A 43 -16.452 2.416 -10.172 1.00 0.00 O ATOM 392 CB LYS A 43 -13.554 2.205 -11.294 1.00 0.00 C ATOM 393 CG LYS A 43 -12.890 0.836 -11.645 1.00 0.00 C ATOM 394 CD LYS A 43 -11.404 1.046 -12.005 1.00 0.00 C ATOM 395 CE LYS A 43 -11.290 1.717 -13.381 1.00 0.00 C ATOM 396 NZ LYS A 43 -11.423 0.684 -14.447 1.00 0.00 N ATOM 0 H LYS A 43 -12.437 0.948 -9.531 1.00 0.00 H new ATOM 0 HA LYS A 43 -14.139 3.206 -9.458 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -14.358 2.414 -12.000 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -12.822 3.005 -11.399 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.975 0.154 -10.799 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.413 0.373 -12.481 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.921 1.664 -11.248 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.884 0.088 -12.014 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -12.066 2.474 -13.494 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.331 2.227 -13.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.346 1.136 -15.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.668 -0.023 -14.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.348 0.217 -14.364 1.00 0.00 H new ATOM 410 N TRP A 44 -15.732 0.430 -9.622 1.00 0.00 N ATOM 411 CA TRP A 44 -17.144 -0.089 -9.645 1.00 0.00 C ATOM 412 C TRP A 44 -17.328 -1.184 -8.608 1.00 0.00 C ATOM 413 O TRP A 44 -18.227 -1.998 -8.691 1.00 0.00 O ATOM 414 CB TRP A 44 -17.510 -0.618 -11.031 1.00 0.00 C ATOM 415 CG TRP A 44 -16.358 -1.335 -11.571 1.00 0.00 C ATOM 416 CD1 TRP A 44 -15.482 -0.770 -12.369 1.00 0.00 C ATOM 417 CD2 TRP A 44 -15.937 -2.711 -11.378 1.00 0.00 C ATOM 418 NE1 TRP A 44 -14.493 -1.673 -12.662 1.00 0.00 N ATOM 419 CE2 TRP A 44 -14.730 -2.895 -12.079 1.00 0.00 C ATOM 420 CE3 TRP A 44 -16.462 -3.799 -10.666 1.00 0.00 C ATOM 421 CZ2 TRP A 44 -14.055 -4.108 -12.069 1.00 0.00 C ATOM 422 CZ3 TRP A 44 -15.790 -5.035 -10.661 1.00 0.00 C ATOM 423 CH2 TRP A 44 -14.583 -5.185 -11.356 1.00 0.00 C ATOM 0 H TRP A 44 -15.010 -0.251 -9.385 1.00 0.00 H new ATOM 0 HA TRP A 44 -17.808 0.741 -9.404 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -18.373 -1.280 -10.968 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -17.787 0.205 -11.690 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -15.532 0.244 -12.736 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -13.680 -1.464 -13.242 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -17.387 -3.688 -10.119 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -13.127 -4.217 -12.610 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -16.206 -5.871 -10.119 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -14.063 -6.131 -11.340 1.00 0.00 H new ATOM 434 N ASP A 45 -16.472 -1.218 -7.648 1.00 0.00 N ATOM 435 CA ASP A 45 -16.565 -2.273 -6.598 1.00 0.00 C ATOM 436 C ASP A 45 -15.577 -2.003 -5.485 1.00 0.00 C ATOM 437 O ASP A 45 -15.944 -1.707 -4.368 1.00 0.00 O ATOM 438 CB ASP A 45 -16.241 -3.637 -7.234 1.00 0.00 C ATOM 439 CG ASP A 45 -17.531 -4.468 -7.422 1.00 0.00 C ATOM 440 OD1 ASP A 45 -18.408 -4.373 -6.578 1.00 0.00 O ATOM 441 OD2 ASP A 45 -17.610 -5.195 -8.393 1.00 0.00 O ATOM 0 H ASP A 45 -15.701 -0.560 -7.534 1.00 0.00 H new ATOM 0 HA ASP A 45 -17.573 -2.273 -6.183 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -15.753 -3.489 -8.198 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -15.539 -4.182 -6.602 1.00 0.00 H new ATOM 446 N THR A 46 -14.337 -2.177 -5.792 1.00 0.00 N ATOM 447 CA THR A 46 -13.252 -2.018 -4.789 1.00 0.00 C ATOM 448 C THR A 46 -13.210 -3.287 -3.997 1.00 0.00 C ATOM 449 O THR A 46 -12.171 -3.746 -3.593 1.00 0.00 O ATOM 450 CB THR A 46 -13.487 -0.766 -3.899 1.00 0.00 C ATOM 451 OG1 THR A 46 -12.288 -0.005 -3.865 1.00 0.00 O ATOM 452 CG2 THR A 46 -13.880 -1.127 -2.453 1.00 0.00 C ATOM 0 H THR A 46 -14.013 -2.431 -6.725 1.00 0.00 H new ATOM 0 HA THR A 46 -12.289 -1.849 -5.271 1.00 0.00 H new ATOM 0 HB THR A 46 -14.313 -0.203 -4.334 1.00 0.00 H new ATOM 0 HG1 THR A 46 -12.421 0.790 -3.308 1.00 0.00 H new ATOM 0 HG21 THR A 46 -14.031 -0.213 -1.878 1.00 0.00 H new ATOM 0 HG22 THR A 46 -14.802 -1.708 -2.461 1.00 0.00 H new ATOM 0 HG23 THR A 46 -13.085 -1.716 -1.996 1.00 0.00 H new ATOM 460 N ALA A 47 -14.352 -3.854 -3.789 1.00 0.00 N ATOM 461 CA ALA A 47 -14.437 -5.130 -3.031 1.00 0.00 C ATOM 462 C ALA A 47 -14.759 -6.298 -3.951 1.00 0.00 C ATOM 463 O ALA A 47 -14.188 -7.359 -3.810 1.00 0.00 O ATOM 464 CB ALA A 47 -15.507 -5.016 -1.944 1.00 0.00 C ATOM 0 H ALA A 47 -15.247 -3.487 -4.114 1.00 0.00 H new ATOM 0 HA ALA A 47 -13.466 -5.318 -2.572 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -15.566 -5.954 -1.391 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -15.247 -4.208 -1.261 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -16.472 -4.805 -2.404 1.00 0.00 H new ATOM 470 N ASN A 48 -15.678 -6.110 -4.871 1.00 0.00 N ATOM 471 CA ASN A 48 -16.095 -7.229 -5.820 1.00 0.00 C ATOM 472 C ASN A 48 -15.712 -8.609 -5.244 1.00 0.00 C ATOM 473 O ASN A 48 -15.980 -8.923 -4.102 1.00 0.00 O ATOM 474 CB ASN A 48 -15.388 -7.080 -7.179 1.00 0.00 C ATOM 475 CG ASN A 48 -13.882 -7.232 -6.979 1.00 0.00 C ATOM 476 OD1 ASN A 48 -13.323 -8.266 -7.290 1.00 0.00 O ATOM 477 ND2 ASN A 48 -13.198 -6.250 -6.463 1.00 0.00 N ATOM 0 H ASN A 48 -16.168 -5.227 -5.016 1.00 0.00 H new ATOM 0 HA ASN A 48 -17.176 -7.159 -5.944 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -15.752 -7.834 -7.877 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -15.613 -6.107 -7.615 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -12.193 -6.349 -6.320 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -13.668 -5.383 -6.202 1.00 0.00 H new ATOM 484 N ASN A 49 -15.040 -9.397 -6.035 1.00 0.00 N ATOM 485 CA ASN A 49 -14.557 -10.728 -5.601 1.00 0.00 C ATOM 486 C ASN A 49 -13.337 -10.491 -4.681 1.00 0.00 C ATOM 487 O ASN A 49 -12.665 -9.490 -4.834 1.00 0.00 O ATOM 488 CB ASN A 49 -14.130 -11.500 -6.867 1.00 0.00 C ATOM 489 CG ASN A 49 -14.745 -12.891 -6.897 1.00 0.00 C ATOM 490 OD1 ASN A 49 -14.089 -13.884 -6.652 1.00 0.00 O ATOM 491 ND2 ASN A 49 -15.987 -12.983 -7.212 1.00 0.00 N ATOM 0 H ASN A 49 -14.800 -9.160 -6.998 1.00 0.00 H new ATOM 0 HA ASN A 49 -15.319 -11.296 -5.067 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -14.435 -10.945 -7.754 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -13.043 -11.579 -6.899 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -16.435 -13.898 -7.259 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -16.525 -12.141 -7.415 1.00 0.00 H new ATOM 498 N PRO A 50 -13.071 -11.383 -3.749 1.00 0.00 N ATOM 499 CA PRO A 50 -11.929 -11.205 -2.836 1.00 0.00 C ATOM 500 C PRO A 50 -10.656 -10.855 -3.595 1.00 0.00 C ATOM 501 O PRO A 50 -9.660 -10.475 -3.020 1.00 0.00 O ATOM 502 CB PRO A 50 -11.823 -12.529 -2.052 1.00 0.00 C ATOM 503 CG PRO A 50 -13.046 -13.405 -2.466 1.00 0.00 C ATOM 504 CD PRO A 50 -13.851 -12.615 -3.526 1.00 0.00 C ATOM 0 HA PRO A 50 -12.074 -10.367 -2.154 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.888 -13.039 -2.282 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -11.828 -12.343 -0.978 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -12.713 -14.360 -2.872 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -13.669 -13.627 -1.599 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -13.960 -13.187 -4.448 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -14.856 -12.388 -3.171 1.00 0.00 H new ATOM 512 N LEU A 51 -10.715 -10.918 -4.874 1.00 0.00 N ATOM 513 CA LEU A 51 -9.564 -10.524 -5.722 1.00 0.00 C ATOM 514 C LEU A 51 -8.962 -9.239 -5.173 1.00 0.00 C ATOM 515 O LEU A 51 -7.781 -9.081 -4.942 1.00 0.00 O ATOM 516 CB LEU A 51 -10.191 -10.203 -7.057 1.00 0.00 C ATOM 517 CG LEU A 51 -9.169 -10.193 -8.216 1.00 0.00 C ATOM 518 CD1 LEU A 51 -7.866 -9.490 -7.816 1.00 0.00 C ATOM 519 CD2 LEU A 51 -8.856 -11.629 -8.658 1.00 0.00 C ATOM 0 H LEU A 51 -11.534 -11.235 -5.393 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.792 -11.292 -5.769 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.969 -10.935 -7.272 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.677 -9.229 -7.000 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.617 -9.640 -9.042 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.173 -9.503 -8.657 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.080 -8.458 -7.538 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.418 -10.009 -6.968 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.135 -11.609 -9.475 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.438 -12.185 -7.819 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.772 -12.114 -8.995 1.00 0.00 H new ATOM 531 N TYR A 52 -9.854 -8.342 -4.987 1.00 0.00 N ATOM 532 CA TYR A 52 -9.568 -7.001 -4.467 1.00 0.00 C ATOM 533 C TYR A 52 -8.779 -7.187 -3.182 1.00 0.00 C ATOM 534 O TYR A 52 -7.852 -6.465 -2.872 1.00 0.00 O ATOM 535 CB TYR A 52 -10.926 -6.323 -4.232 1.00 0.00 C ATOM 536 CG TYR A 52 -11.201 -6.241 -2.739 1.00 0.00 C ATOM 537 CD1 TYR A 52 -10.733 -5.152 -1.992 1.00 0.00 C ATOM 538 CD2 TYR A 52 -11.906 -7.272 -2.103 1.00 0.00 C ATOM 539 CE1 TYR A 52 -10.975 -5.091 -0.615 1.00 0.00 C ATOM 540 CE2 TYR A 52 -12.150 -7.208 -0.727 1.00 0.00 C ATOM 541 CZ TYR A 52 -11.684 -6.119 0.018 1.00 0.00 C ATOM 542 OH TYR A 52 -11.922 -6.057 1.376 1.00 0.00 O ATOM 0 H TYR A 52 -10.842 -8.495 -5.189 1.00 0.00 H new ATOM 0 HA TYR A 52 -8.982 -6.377 -5.142 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -10.926 -5.324 -4.668 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -11.716 -6.887 -4.728 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -10.185 -4.359 -2.479 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -12.261 -8.116 -2.675 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -10.615 -4.251 -0.040 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -12.699 -8.000 -0.239 1.00 0.00 H new ATOM 0 HH TYR A 52 -12.427 -6.849 1.656 1.00 0.00 H new ATOM 552 N LYS A 53 -9.155 -8.197 -2.450 1.00 0.00 N ATOM 553 CA LYS A 53 -8.461 -8.514 -1.182 1.00 0.00 C ATOM 554 C LYS A 53 -7.233 -9.330 -1.545 1.00 0.00 C ATOM 555 O LYS A 53 -6.282 -9.417 -0.794 1.00 0.00 O ATOM 556 CB LYS A 53 -9.422 -9.283 -0.239 1.00 0.00 C ATOM 557 CG LYS A 53 -8.677 -10.218 0.743 1.00 0.00 C ATOM 558 CD LYS A 53 -7.759 -9.414 1.686 1.00 0.00 C ATOM 559 CE LYS A 53 -8.563 -8.868 2.873 1.00 0.00 C ATOM 560 NZ LYS A 53 -9.205 -9.998 3.603 1.00 0.00 N ATOM 0 H LYS A 53 -9.926 -8.823 -2.684 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.154 -7.615 -0.647 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.017 -8.567 0.328 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.117 -9.872 -0.838 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -9.400 -10.785 1.330 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.084 -10.941 0.183 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.951 -10.050 2.047 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -7.298 -8.591 1.141 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.908 -8.313 3.545 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.323 -8.171 2.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.074 -9.869 4.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -10.221 -10.020 3.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.768 -10.895 3.309 1.00 0.00 H new ATOM 574 N GLU A 54 -7.238 -9.920 -2.710 1.00 0.00 N ATOM 575 CA GLU A 54 -6.037 -10.721 -3.116 1.00 0.00 C ATOM 576 C GLU A 54 -4.965 -9.771 -3.614 1.00 0.00 C ATOM 577 O GLU A 54 -3.786 -9.956 -3.387 1.00 0.00 O ATOM 578 CB GLU A 54 -6.374 -11.716 -4.227 1.00 0.00 C ATOM 579 CG GLU A 54 -7.430 -12.721 -3.738 1.00 0.00 C ATOM 580 CD GLU A 54 -6.751 -13.854 -2.959 1.00 0.00 C ATOM 581 OE1 GLU A 54 -6.341 -13.611 -1.836 1.00 0.00 O ATOM 582 OE2 GLU A 54 -6.654 -14.942 -3.500 1.00 0.00 O ATOM 0 H GLU A 54 -8.000 -9.887 -3.387 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.690 -11.284 -2.250 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.746 -11.183 -5.102 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.473 -12.246 -4.536 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.158 -12.217 -3.103 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.977 -13.129 -4.588 1.00 0.00 H new ATOM 589 N ALA A 55 -5.377 -8.750 -4.286 1.00 0.00 N ATOM 590 CA ALA A 55 -4.396 -7.756 -4.807 1.00 0.00 C ATOM 591 C ALA A 55 -3.584 -7.201 -3.637 1.00 0.00 C ATOM 592 O ALA A 55 -2.422 -6.873 -3.775 1.00 0.00 O ATOM 593 CB ALA A 55 -5.137 -6.617 -5.508 1.00 0.00 C ATOM 0 H ALA A 55 -6.354 -8.551 -4.503 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.729 -8.237 -5.523 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -4.416 -5.893 -5.887 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.719 -7.018 -6.338 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.805 -6.127 -4.800 1.00 0.00 H new ATOM 599 N THR A 56 -4.180 -7.111 -2.479 1.00 0.00 N ATOM 600 CA THR A 56 -3.441 -6.602 -1.304 1.00 0.00 C ATOM 601 C THR A 56 -2.523 -7.716 -0.819 1.00 0.00 C ATOM 602 O THR A 56 -1.443 -7.489 -0.311 1.00 0.00 O ATOM 603 CB THR A 56 -4.455 -6.218 -0.212 1.00 0.00 C ATOM 604 OG1 THR A 56 -5.695 -6.854 -0.485 1.00 0.00 O ATOM 605 CG2 THR A 56 -4.665 -4.698 -0.181 1.00 0.00 C ATOM 0 H THR A 56 -5.150 -7.371 -2.302 1.00 0.00 H new ATOM 0 HA THR A 56 -2.849 -5.721 -1.553 1.00 0.00 H new ATOM 0 HB THR A 56 -4.070 -6.540 0.756 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.587 -7.825 -0.413 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.385 -4.446 0.597 1.00 0.00 H new ATOM 0 HG22 THR A 56 -3.716 -4.204 0.029 1.00 0.00 H new ATOM 0 HG23 THR A 56 -5.043 -4.363 -1.147 1.00 0.00 H new ATOM 613 N SER A 57 -2.957 -8.918 -1.002 1.00 0.00 N ATOM 614 CA SER A 57 -2.140 -10.086 -0.589 1.00 0.00 C ATOM 615 C SER A 57 -0.853 -10.083 -1.410 1.00 0.00 C ATOM 616 O SER A 57 0.149 -10.654 -1.024 1.00 0.00 O ATOM 617 CB SER A 57 -2.915 -11.378 -0.850 1.00 0.00 C ATOM 618 OG SER A 57 -4.249 -11.227 -0.379 1.00 0.00 O ATOM 0 H SER A 57 -3.855 -9.150 -1.426 1.00 0.00 H new ATOM 0 HA SER A 57 -1.909 -10.026 0.475 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.917 -11.606 -1.916 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.431 -12.215 -0.346 1.00 0.00 H new ATOM 0 HG SER A 57 -4.703 -12.095 -0.398 1.00 0.00 H new ATOM 624 N THR A 58 -0.874 -9.429 -2.541 1.00 0.00 N ATOM 625 CA THR A 58 0.337 -9.365 -3.394 1.00 0.00 C ATOM 626 C THR A 58 1.502 -8.904 -2.527 1.00 0.00 C ATOM 627 O THR A 58 2.659 -9.066 -2.859 1.00 0.00 O ATOM 628 CB THR A 58 0.113 -8.363 -4.530 1.00 0.00 C ATOM 629 OG1 THR A 58 -1.139 -8.624 -5.149 1.00 0.00 O ATOM 630 CG2 THR A 58 1.233 -8.501 -5.562 1.00 0.00 C ATOM 0 H THR A 58 -1.687 -8.934 -2.909 1.00 0.00 H new ATOM 0 HA THR A 58 0.549 -10.343 -3.825 1.00 0.00 H new ATOM 0 HB THR A 58 0.116 -7.350 -4.128 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.720 -7.841 -5.054 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.073 -7.787 -6.370 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.193 -8.301 -5.086 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.233 -9.513 -5.966 1.00 0.00 H new ATOM 638 N PHE A 59 1.179 -8.328 -1.406 1.00 0.00 N ATOM 639 CA PHE A 59 2.217 -7.833 -0.465 1.00 0.00 C ATOM 640 C PHE A 59 2.767 -9.001 0.327 1.00 0.00 C ATOM 641 O PHE A 59 3.956 -9.179 0.491 1.00 0.00 O ATOM 642 CB PHE A 59 1.545 -6.854 0.491 1.00 0.00 C ATOM 643 CG PHE A 59 2.590 -6.033 1.207 1.00 0.00 C ATOM 644 CD1 PHE A 59 3.255 -6.561 2.320 1.00 0.00 C ATOM 645 CD2 PHE A 59 2.894 -4.741 0.758 1.00 0.00 C ATOM 646 CE1 PHE A 59 4.223 -5.800 2.983 1.00 0.00 C ATOM 647 CE2 PHE A 59 3.863 -3.980 1.422 1.00 0.00 C ATOM 648 CZ PHE A 59 4.528 -4.509 2.535 1.00 0.00 C ATOM 0 H PHE A 59 0.219 -8.177 -1.096 1.00 0.00 H new ATOM 0 HA PHE A 59 3.030 -7.349 -1.006 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.871 -6.199 -0.061 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.939 -7.398 1.215 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.020 -7.557 2.667 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.381 -4.333 -0.100 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.736 -6.208 3.841 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.098 -2.984 1.076 1.00 0.00 H new ATOM 0 HZ PHE A 59 5.276 -3.922 3.047 1.00 0.00 H new ATOM 658 N THR A 60 1.879 -9.776 0.823 1.00 0.00 N ATOM 659 CA THR A 60 2.261 -10.961 1.634 1.00 0.00 C ATOM 660 C THR A 60 2.912 -12.001 0.718 1.00 0.00 C ATOM 661 O THR A 60 3.663 -12.851 1.149 1.00 0.00 O ATOM 662 CB THR A 60 0.986 -11.504 2.321 1.00 0.00 C ATOM 663 OG1 THR A 60 1.061 -11.240 3.714 1.00 0.00 O ATOM 664 CG2 THR A 60 0.806 -13.012 2.105 1.00 0.00 C ATOM 0 H THR A 60 0.874 -9.647 0.705 1.00 0.00 H new ATOM 0 HA THR A 60 2.986 -10.704 2.407 1.00 0.00 H new ATOM 0 HB THR A 60 0.129 -11.001 1.874 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.255 -11.580 4.155 1.00 0.00 H new ATOM 0 HG21 THR A 60 -0.103 -13.345 2.606 1.00 0.00 H new ATOM 0 HG22 THR A 60 0.729 -13.220 1.038 1.00 0.00 H new ATOM 0 HG23 THR A 60 1.664 -13.544 2.517 1.00 0.00 H new ATOM 672 N ASN A 61 2.615 -11.927 -0.535 1.00 0.00 N ATOM 673 CA ASN A 61 3.190 -12.898 -1.510 1.00 0.00 C ATOM 674 C ASN A 61 4.713 -12.898 -1.409 1.00 0.00 C ATOM 675 O ASN A 61 5.385 -13.725 -1.994 1.00 0.00 O ATOM 676 CB ASN A 61 2.789 -12.482 -2.921 1.00 0.00 C ATOM 677 CG ASN A 61 3.315 -13.507 -3.928 1.00 0.00 C ATOM 678 OD1 ASN A 61 2.907 -14.651 -3.916 1.00 0.00 O ATOM 679 ND2 ASN A 61 4.211 -13.142 -4.805 1.00 0.00 N ATOM 0 H ASN A 61 1.991 -11.229 -0.941 1.00 0.00 H new ATOM 0 HA ASN A 61 2.813 -13.896 -1.288 1.00 0.00 H new ATOM 0 HB2 ASN A 61 1.704 -12.409 -2.995 1.00 0.00 H new ATOM 0 HB3 ASN A 61 3.191 -11.495 -3.148 1.00 0.00 H new ATOM 0 HD21 ASN A 61 4.569 -13.818 -5.480 1.00 0.00 H new ATOM 0 HD22 ASN A 61 4.553 -12.181 -4.815 1.00 0.00 H new ATOM 686 N ILE A 62 5.258 -11.971 -0.674 1.00 0.00 N ATOM 687 CA ILE A 62 6.748 -11.883 -0.518 1.00 0.00 C ATOM 688 C ILE A 62 7.102 -12.325 0.891 1.00 0.00 C ATOM 689 O ILE A 62 8.202 -12.754 1.180 1.00 0.00 O ATOM 690 CB ILE A 62 7.202 -10.426 -0.742 1.00 0.00 C ATOM 691 CG1 ILE A 62 6.272 -9.762 -1.757 1.00 0.00 C ATOM 692 CG2 ILE A 62 8.639 -10.396 -1.273 1.00 0.00 C ATOM 693 CD1 ILE A 62 6.752 -8.336 -2.033 1.00 0.00 C ATOM 0 H ILE A 62 4.734 -11.259 -0.166 1.00 0.00 H new ATOM 0 HA ILE A 62 7.248 -12.522 -1.247 1.00 0.00 H new ATOM 0 HB ILE A 62 7.164 -9.889 0.206 1.00 0.00 H new ATOM 0 HG12 ILE A 62 6.257 -10.337 -2.683 1.00 0.00 H new ATOM 0 HG13 ILE A 62 5.251 -9.746 -1.375 1.00 0.00 H new ATOM 0 HG21 ILE A 62 8.948 -9.362 -1.427 1.00 0.00 H new ATOM 0 HG22 ILE A 62 9.304 -10.870 -0.551 1.00 0.00 H new ATOM 0 HG23 ILE A 62 8.689 -10.935 -2.219 1.00 0.00 H new ATOM 0 HD11 ILE A 62 6.089 -7.863 -2.757 1.00 0.00 H new ATOM 0 HD12 ILE A 62 6.745 -7.764 -1.105 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.765 -8.364 -2.434 1.00 0.00 H new ATOM 705 N THR A 63 6.149 -12.229 1.760 1.00 0.00 N ATOM 706 CA THR A 63 6.351 -12.642 3.178 1.00 0.00 C ATOM 707 C THR A 63 5.768 -14.042 3.330 1.00 0.00 C ATOM 708 O THR A 63 6.005 -14.742 4.295 1.00 0.00 O ATOM 709 CB THR A 63 5.652 -11.622 4.083 1.00 0.00 C ATOM 710 OG1 THR A 63 6.623 -10.729 4.610 1.00 0.00 O ATOM 711 CG2 THR A 63 4.898 -12.289 5.246 1.00 0.00 C ATOM 0 H THR A 63 5.216 -11.875 1.550 1.00 0.00 H new ATOM 0 HA THR A 63 7.404 -12.668 3.460 1.00 0.00 H new ATOM 0 HB THR A 63 4.918 -11.090 3.477 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.183 -10.072 5.189 1.00 0.00 H new ATOM 0 HG21 THR A 63 4.420 -11.523 5.857 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.138 -12.962 4.849 1.00 0.00 H new ATOM 0 HG23 THR A 63 5.600 -12.855 5.858 1.00 0.00 H new ATOM 719 N TYR A 64 5.004 -14.444 2.360 1.00 0.00 N ATOM 720 CA TYR A 64 4.380 -15.797 2.397 1.00 0.00 C ATOM 721 C TYR A 64 5.434 -16.863 2.718 1.00 0.00 C ATOM 722 O TYR A 64 5.116 -18.018 2.925 1.00 0.00 O ATOM 723 CB TYR A 64 3.714 -16.106 1.043 1.00 0.00 C ATOM 724 CG TYR A 64 4.753 -16.548 0.008 1.00 0.00 C ATOM 725 CD1 TYR A 64 5.941 -15.812 -0.204 1.00 0.00 C ATOM 726 CD2 TYR A 64 4.519 -17.708 -0.746 1.00 0.00 C ATOM 727 CE1 TYR A 64 6.870 -16.244 -1.159 1.00 0.00 C ATOM 728 CE2 TYR A 64 5.452 -18.133 -1.698 1.00 0.00 C ATOM 729 CZ TYR A 64 6.626 -17.402 -1.905 1.00 0.00 C ATOM 730 OH TYR A 64 7.544 -17.822 -2.845 1.00 0.00 O ATOM 0 H TYR A 64 4.781 -13.890 1.533 1.00 0.00 H new ATOM 0 HA TYR A 64 3.621 -15.810 3.179 1.00 0.00 H new ATOM 0 HB2 TYR A 64 2.967 -16.890 1.171 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.189 -15.222 0.682 1.00 0.00 H new ATOM 0 HD1 TYR A 64 6.132 -14.917 0.370 1.00 0.00 H new ATOM 0 HD2 TYR A 64 3.614 -18.276 -0.591 1.00 0.00 H new ATOM 0 HE1 TYR A 64 7.778 -15.681 -1.320 1.00 0.00 H new ATOM 0 HE2 TYR A 64 5.265 -19.027 -2.274 1.00 0.00 H new ATOM 0 HH TYR A 64 7.222 -18.643 -3.273 1.00 0.00 H new