USER MOD reduce.3.24.130724 H: found=0, std=0, add=311, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 311 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 1 THR N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 THR OG1 : rot 180:sc= -1.2 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.229 X(o=-0.23,f=-0.71) USER MOD Single : A 17 THR OG1 : rot 75:sc= 0.0999 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= -2.96! USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -16.880 -10.395 -11.934 1.00 0.00 N ATOM 2 CA THR A 1 -17.106 -10.345 -10.492 1.00 0.00 C ATOM 3 C THR A 1 -18.522 -9.919 -10.181 1.00 0.00 C ATOM 4 O THR A 1 -19.246 -9.429 -11.024 1.00 0.00 O ATOM 5 CB THR A 1 -16.075 -9.385 -9.807 1.00 0.00 C ATOM 6 OG1 THR A 1 -15.541 -9.983 -8.633 1.00 0.00 O ATOM 7 CG2 THR A 1 -16.619 -8.020 -9.334 1.00 0.00 C ATOM 0 H1 THR A 1 -15.901 -10.690 -12.122 1.00 0.00 H new ATOM 0 H2 THR A 1 -17.536 -11.078 -12.365 1.00 0.00 H new ATOM 0 H3 THR A 1 -17.042 -9.453 -12.344 1.00 0.00 H new ATOM 0 HA THR A 1 -16.961 -11.348 -10.091 1.00 0.00 H new ATOM 0 HB THR A 1 -15.349 -9.214 -10.602 1.00 0.00 H new ATOM 0 HG1 THR A 1 -14.898 -9.371 -8.218 1.00 0.00 H new ATOM 0 HG21 THR A 1 -15.813 -7.446 -8.877 1.00 0.00 H new ATOM 0 HG22 THR A 1 -17.017 -7.471 -10.188 1.00 0.00 H new ATOM 0 HG23 THR A 1 -17.412 -8.178 -8.603 1.00 0.00 H new ATOM 17 N PRO A 2 -18.925 -10.117 -8.940 1.00 0.00 N ATOM 18 CA PRO A 2 -20.265 -9.692 -8.338 1.00 0.00 C ATOM 19 C PRO A 2 -20.564 -8.213 -8.445 1.00 0.00 C ATOM 20 O PRO A 2 -20.067 -7.514 -9.339 1.00 0.00 O ATOM 21 CB PRO A 2 -20.220 -10.065 -6.860 1.00 0.00 C ATOM 22 CG PRO A 2 -19.228 -11.240 -6.856 1.00 0.00 C ATOM 23 CD PRO A 2 -18.163 -10.802 -7.867 1.00 0.00 C ATOM 0 HA PRO A 2 -21.051 -10.198 -8.899 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -19.874 -9.237 -6.241 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -21.200 -10.357 -6.483 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -18.801 -11.403 -5.866 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -19.707 -12.173 -7.154 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -17.434 -10.133 -7.410 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -17.611 -11.657 -8.257 1.00 0.00 H new ATOM 31 N ASP A 3 -21.404 -7.715 -7.558 1.00 0.00 N ATOM 32 CA ASP A 3 -21.663 -6.282 -7.431 1.00 0.00 C ATOM 33 C ASP A 3 -20.386 -5.476 -7.504 1.00 0.00 C ATOM 34 O ASP A 3 -19.621 -5.367 -6.537 1.00 0.00 O ATOM 35 CB ASP A 3 -22.446 -5.997 -6.121 1.00 0.00 C ATOM 36 CG ASP A 3 -22.830 -4.536 -5.852 1.00 0.00 C ATOM 37 OD1 ASP A 3 -23.825 -4.009 -6.328 1.00 0.00 O ATOM 38 OD2 ASP A 3 -21.958 -3.905 -5.009 1.00 0.00 O ATOM 0 H ASP A 3 -21.931 -8.290 -6.900 1.00 0.00 H new ATOM 0 HA ASP A 3 -22.279 -5.968 -8.274 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -23.359 -6.592 -6.134 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -21.847 -6.351 -5.282 1.00 0.00 H new ATOM 43 N VAL A 4 -20.123 -4.916 -8.671 1.00 0.00 N ATOM 44 CA VAL A 4 -19.018 -3.979 -8.851 1.00 0.00 C ATOM 45 C VAL A 4 -19.479 -2.560 -8.607 1.00 0.00 C ATOM 46 O VAL A 4 -20.666 -2.233 -8.739 1.00 0.00 O ATOM 47 CB VAL A 4 -18.406 -4.137 -10.299 1.00 0.00 C ATOM 48 CG1 VAL A 4 -19.265 -3.590 -11.474 1.00 0.00 C ATOM 49 CG2 VAL A 4 -17.016 -3.477 -10.468 1.00 0.00 C ATOM 0 H VAL A 4 -20.663 -5.093 -9.518 1.00 0.00 H new ATOM 0 HA VAL A 4 -18.240 -4.206 -8.122 1.00 0.00 H new ATOM 0 HB VAL A 4 -18.354 -5.224 -10.363 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -18.741 -3.755 -12.415 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -20.224 -4.108 -11.496 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -19.433 -2.522 -11.335 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -16.663 -3.628 -11.488 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -17.093 -2.409 -10.266 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -16.312 -3.928 -9.769 1.00 0.00 H new ATOM 59 N SER A 5 -18.560 -1.705 -8.205 1.00 0.00 N ATOM 60 CA SER A 5 -18.802 -0.280 -7.986 1.00 0.00 C ATOM 61 C SER A 5 -19.188 -0.016 -6.549 1.00 0.00 C ATOM 62 O SER A 5 -18.893 1.051 -5.985 1.00 0.00 O ATOM 63 CB SER A 5 -19.849 0.302 -8.971 1.00 0.00 C ATOM 64 OG SER A 5 -19.261 0.794 -10.180 1.00 0.00 O ATOM 0 H SER A 5 -17.597 -1.982 -8.015 1.00 0.00 H new ATOM 0 HA SER A 5 -17.866 0.240 -8.189 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.579 -0.470 -9.215 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.392 1.111 -8.481 1.00 0.00 H new ATOM 0 HG SER A 5 -19.963 1.147 -10.765 1.00 0.00 H new ATOM 70 N SER A 6 -19.851 -0.970 -5.924 1.00 0.00 N ATOM 71 CA SER A 6 -20.129 -0.913 -4.491 1.00 0.00 C ATOM 72 C SER A 6 -19.328 -1.956 -3.746 1.00 0.00 C ATOM 73 O SER A 6 -19.726 -2.446 -2.681 1.00 0.00 O ATOM 74 CB SER A 6 -21.647 -1.057 -4.215 1.00 0.00 C ATOM 75 OG SER A 6 -22.385 0.129 -4.530 1.00 0.00 O ATOM 0 H SER A 6 -20.213 -1.804 -6.387 1.00 0.00 H new ATOM 0 HA SER A 6 -19.820 0.065 -4.122 1.00 0.00 H new ATOM 0 HB2 SER A 6 -22.040 -1.889 -4.799 1.00 0.00 H new ATOM 0 HB3 SER A 6 -21.798 -1.305 -3.164 1.00 0.00 H new ATOM 0 HG SER A 6 -23.335 -0.017 -4.339 1.00 0.00 H new ATOM 81 N ALA A 7 -18.170 -2.295 -4.281 1.00 0.00 N ATOM 82 CA ALA A 7 -17.337 -3.362 -3.723 1.00 0.00 C ATOM 83 C ALA A 7 -16.081 -2.820 -3.077 1.00 0.00 C ATOM 84 O ALA A 7 -15.491 -3.433 -2.178 1.00 0.00 O ATOM 85 CB ALA A 7 -17.036 -4.353 -4.860 1.00 0.00 C ATOM 0 H ALA A 7 -17.776 -1.847 -5.108 1.00 0.00 H new ATOM 0 HA ALA A 7 -17.866 -3.875 -2.920 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -16.415 -5.165 -4.480 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -17.971 -4.761 -5.244 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -16.508 -3.837 -5.662 1.00 0.00 H new ATOM 91 N LEU A 8 -15.662 -1.648 -3.513 1.00 0.00 N ATOM 92 CA LEU A 8 -14.564 -0.923 -2.879 1.00 0.00 C ATOM 93 C LEU A 8 -15.002 -0.251 -1.599 1.00 0.00 C ATOM 94 O LEU A 8 -14.177 0.122 -0.748 1.00 0.00 O ATOM 95 CB LEU A 8 -13.960 0.118 -3.867 1.00 0.00 C ATOM 96 CG LEU A 8 -12.543 0.675 -3.564 1.00 0.00 C ATOM 97 CD1 LEU A 8 -11.546 -0.480 -3.396 1.00 0.00 C ATOM 98 CD2 LEU A 8 -12.040 1.641 -4.649 1.00 0.00 C ATOM 0 H LEU A 8 -16.069 -1.167 -4.315 1.00 0.00 H new ATOM 0 HA LEU A 8 -13.794 -1.649 -2.619 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -13.935 -0.337 -4.857 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -14.646 0.963 -3.922 1.00 0.00 H new ATOM 0 HG LEU A 8 -12.618 1.241 -2.636 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -10.555 -0.078 -3.184 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -11.863 -1.117 -2.571 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -11.510 -1.066 -4.314 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -11.045 1.999 -4.385 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -11.996 1.122 -5.606 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -12.722 2.488 -4.726 1.00 0.00 H new ATOM 110 N ASP A 9 -16.296 -0.050 -1.441 1.00 0.00 N ATOM 111 CA ASP A 9 -16.857 0.442 -0.185 1.00 0.00 C ATOM 112 C ASP A 9 -16.335 -0.344 0.996 1.00 0.00 C ATOM 113 O ASP A 9 -16.045 0.210 2.067 1.00 0.00 O ATOM 114 CB ASP A 9 -18.407 0.426 -0.246 1.00 0.00 C ATOM 115 CG ASP A 9 -19.151 0.911 1.006 1.00 0.00 C ATOM 116 OD1 ASP A 9 -19.197 2.085 1.342 1.00 0.00 O ATOM 117 OD2 ASP A 9 -19.742 -0.108 1.700 1.00 0.00 O ATOM 0 H ASP A 9 -16.989 -0.220 -2.170 1.00 0.00 H new ATOM 0 HA ASP A 9 -16.536 1.474 -0.045 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -18.721 1.042 -1.088 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -18.729 -0.593 -0.460 1.00 0.00 H new ATOM 122 N LYS A 10 -16.232 -1.650 0.834 1.00 0.00 N ATOM 123 CA LYS A 10 -15.754 -2.524 1.902 1.00 0.00 C ATOM 124 C LYS A 10 -14.284 -2.296 2.166 1.00 0.00 C ATOM 125 O LYS A 10 -13.796 -2.433 3.298 1.00 0.00 O ATOM 126 CB LYS A 10 -16.030 -4.005 1.527 1.00 0.00 C ATOM 127 CG LYS A 10 -17.230 -4.620 2.291 1.00 0.00 C ATOM 128 CD LYS A 10 -16.854 -5.441 3.527 1.00 0.00 C ATOM 129 CE LYS A 10 -18.063 -6.281 3.963 1.00 0.00 C ATOM 130 NZ LYS A 10 -18.892 -5.498 4.898 1.00 0.00 N ATOM 0 H LYS A 10 -16.473 -2.136 -0.030 1.00 0.00 H new ATOM 0 HA LYS A 10 -16.292 -2.289 2.820 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -16.218 -4.072 0.455 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -15.137 -4.596 1.731 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -17.898 -3.815 2.597 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -17.790 -5.257 1.606 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -16.007 -6.090 3.303 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -16.544 -4.780 4.337 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -18.652 -6.570 3.092 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -17.727 -7.201 4.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -19.711 -6.066 5.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -18.327 -5.243 5.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -19.223 -4.632 4.427 1.00 0.00 H new ATOM 144 N LEU A 11 -13.545 -1.970 1.122 1.00 0.00 N ATOM 145 CA LEU A 11 -12.115 -1.694 1.244 1.00 0.00 C ATOM 146 C LEU A 11 -11.809 -0.224 1.411 1.00 0.00 C ATOM 147 O LEU A 11 -10.657 0.209 1.190 1.00 0.00 O ATOM 148 CB LEU A 11 -11.354 -2.270 0.015 1.00 0.00 C ATOM 149 CG LEU A 11 -10.773 -3.706 0.126 1.00 0.00 C ATOM 150 CD1 LEU A 11 -11.579 -4.524 1.144 1.00 0.00 C ATOM 151 CD2 LEU A 11 -10.744 -4.441 -1.224 1.00 0.00 C ATOM 0 H LEU A 11 -13.909 -1.888 0.173 1.00 0.00 H new ATOM 0 HA LEU A 11 -11.773 -2.188 2.154 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -12.032 -2.249 -0.838 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -10.531 -1.593 -0.216 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.741 -3.605 0.462 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.163 -5.529 1.214 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.528 -4.042 2.120 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -12.619 -4.583 0.822 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.328 -5.439 -1.086 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -11.758 -4.521 -1.617 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.125 -3.885 -1.928 1.00 0.00 H new ATOM 163 N LYS A 12 -12.795 0.575 1.767 1.00 0.00 N ATOM 164 CA LYS A 12 -12.531 1.969 2.157 1.00 0.00 C ATOM 165 C LYS A 12 -11.799 1.979 3.479 1.00 0.00 C ATOM 166 O LYS A 12 -11.973 1.040 4.293 1.00 0.00 O ATOM 167 CB LYS A 12 -13.853 2.776 2.247 1.00 0.00 C ATOM 168 CG LYS A 12 -13.739 4.215 1.682 1.00 0.00 C ATOM 169 CD LYS A 12 -13.409 4.297 0.189 1.00 0.00 C ATOM 170 CE LYS A 12 -14.416 5.227 -0.501 1.00 0.00 C ATOM 171 NZ LYS A 12 -14.092 6.628 -0.180 1.00 0.00 N ATOM 0 H LYS A 12 -13.777 0.300 1.798 1.00 0.00 H new ATOM 0 HA LYS A 12 -11.910 2.446 1.399 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -14.633 2.242 1.704 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -14.168 2.827 3.289 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -14.680 4.735 1.860 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -12.969 4.749 2.239 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.395 4.671 0.049 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -13.447 3.304 -0.259 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -14.388 5.074 -1.580 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -15.428 4.992 -0.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -14.775 7.258 -0.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -14.140 6.768 0.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.132 6.848 -0.515 1.00 0.00 H new ATOM 185 N GLU A 13 -11.033 3.004 3.788 1.00 0.00 N ATOM 186 CA GLU A 13 -10.089 3.006 4.903 1.00 0.00 C ATOM 187 C GLU A 13 -8.855 2.202 4.548 1.00 0.00 C ATOM 188 O GLU A 13 -7.748 2.742 4.425 1.00 0.00 O ATOM 189 CB GLU A 13 -10.773 2.460 6.190 1.00 0.00 C ATOM 190 CG GLU A 13 -10.202 2.948 7.563 1.00 0.00 C ATOM 191 CD GLU A 13 -10.513 4.377 8.012 1.00 0.00 C ATOM 192 OE1 GLU A 13 -11.804 4.559 8.409 1.00 0.00 O ATOM 193 OE2 GLU A 13 -9.678 5.272 8.012 1.00 0.00 O ATOM 0 H GLU A 13 -11.044 3.880 3.265 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.774 4.031 5.101 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.830 2.725 6.150 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -10.716 1.372 6.168 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.567 2.270 8.335 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.118 2.839 7.530 1.00 0.00 H new ATOM 200 N PHE A 14 -9.004 0.891 4.425 1.00 0.00 N ATOM 201 CA PHE A 14 -7.943 0.019 3.904 1.00 0.00 C ATOM 202 C PHE A 14 -7.118 0.671 2.813 1.00 0.00 C ATOM 203 O PHE A 14 -5.900 0.387 2.702 1.00 0.00 O ATOM 204 CB PHE A 14 -8.484 -1.342 3.339 1.00 0.00 C ATOM 205 CG PHE A 14 -8.059 -2.615 4.105 1.00 0.00 C ATOM 206 CD1 PHE A 14 -7.988 -2.591 5.502 1.00 0.00 C ATOM 207 CD2 PHE A 14 -7.804 -3.805 3.422 1.00 0.00 C ATOM 208 CE1 PHE A 14 -7.607 -3.730 6.204 1.00 0.00 C ATOM 209 CE2 PHE A 14 -7.433 -4.948 4.126 1.00 0.00 C ATOM 210 CZ PHE A 14 -7.332 -4.910 5.516 1.00 0.00 C ATOM 0 H PHE A 14 -9.858 0.396 4.681 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.315 -0.170 4.775 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -9.573 -1.298 3.324 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -8.155 -1.439 2.304 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -8.230 -1.685 6.037 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.894 -3.840 2.346 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.525 -3.700 7.280 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.223 -5.865 3.595 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.040 -5.796 6.060 1.00 0.00 H new ATOM 220 N GLY A 15 -7.683 1.546 2.007 1.00 0.00 N ATOM 221 CA GLY A 15 -6.981 2.115 0.858 1.00 0.00 C ATOM 222 C GLY A 15 -6.184 3.336 1.259 1.00 0.00 C ATOM 223 O GLY A 15 -4.992 3.469 0.954 1.00 0.00 O ATOM 0 H GLY A 15 -8.638 1.886 2.123 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.315 1.367 0.428 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.700 2.384 0.085 1.00 0.00 H new ATOM 227 N ASN A 16 -6.840 4.264 1.931 1.00 0.00 N ATOM 228 CA ASN A 16 -6.200 5.480 2.428 1.00 0.00 C ATOM 229 C ASN A 16 -4.907 5.183 3.154 1.00 0.00 C ATOM 230 O ASN A 16 -3.929 5.939 3.088 1.00 0.00 O ATOM 231 CB ASN A 16 -7.190 6.227 3.373 1.00 0.00 C ATOM 232 CG ASN A 16 -6.604 7.283 4.317 1.00 0.00 C ATOM 233 OD1 ASN A 16 -5.546 7.851 4.091 1.00 0.00 O ATOM 234 ND2 ASN A 16 -7.264 7.585 5.403 1.00 0.00 N ATOM 0 H ASN A 16 -7.834 4.201 2.151 1.00 0.00 H new ATOM 0 HA ASN A 16 -5.950 6.109 1.574 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -7.946 6.711 2.754 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.704 5.481 3.979 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -6.894 8.285 6.046 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -8.149 7.121 5.608 1.00 0.00 H new ATOM 241 N THR A 17 -4.886 4.075 3.871 1.00 0.00 N ATOM 242 CA THR A 17 -3.779 3.739 4.762 1.00 0.00 C ATOM 243 C THR A 17 -2.534 3.384 3.984 1.00 0.00 C ATOM 244 O THR A 17 -1.406 3.719 4.373 1.00 0.00 O ATOM 245 CB THR A 17 -4.183 2.565 5.718 1.00 0.00 C ATOM 246 OG1 THR A 17 -5.316 2.925 6.498 1.00 0.00 O ATOM 247 CG2 THR A 17 -3.123 2.129 6.752 1.00 0.00 C ATOM 0 H THR A 17 -5.632 3.380 3.856 1.00 0.00 H new ATOM 0 HA THR A 17 -3.555 4.620 5.364 1.00 0.00 H new ATOM 0 HB THR A 17 -4.352 1.742 5.023 1.00 0.00 H new ATOM 0 HG1 THR A 17 -6.120 2.898 5.939 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.518 1.311 7.355 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.224 1.797 6.233 1.00 0.00 H new ATOM 0 HG23 THR A 17 -2.878 2.971 7.399 1.00 0.00 H new ATOM 255 N LEU A 18 -2.710 2.675 2.886 1.00 0.00 N ATOM 256 CA LEU A 18 -1.600 2.331 2.001 1.00 0.00 C ATOM 257 C LEU A 18 -0.979 3.563 1.385 1.00 0.00 C ATOM 258 O LEU A 18 0.205 3.573 1.011 1.00 0.00 O ATOM 259 CB LEU A 18 -2.072 1.337 0.901 1.00 0.00 C ATOM 260 CG LEU A 18 -3.125 0.265 1.293 1.00 0.00 C ATOM 261 CD1 LEU A 18 -3.003 -0.958 0.374 1.00 0.00 C ATOM 262 CD2 LEU A 18 -3.003 -0.176 2.761 1.00 0.00 C ATOM 0 H LEU A 18 -3.616 2.321 2.579 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.831 1.845 2.601 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.480 1.921 0.076 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.193 0.818 0.520 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.105 0.726 1.172 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.746 -1.703 0.659 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.170 -0.655 -0.659 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.005 -1.387 0.469 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.763 -0.926 2.980 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.014 -0.601 2.932 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.145 0.686 3.413 1.00 0.00 H new ATOM 274 N GLU A 19 -1.761 4.616 1.236 1.00 0.00 N ATOM 275 CA GLU A 19 -1.280 5.863 0.645 1.00 0.00 C ATOM 276 C GLU A 19 -0.863 6.865 1.696 1.00 0.00 C ATOM 277 O GLU A 19 -1.008 8.086 1.524 1.00 0.00 O ATOM 278 CB GLU A 19 -2.416 6.440 -0.249 1.00 0.00 C ATOM 279 CG GLU A 19 -2.005 7.429 -1.389 1.00 0.00 C ATOM 280 CD GLU A 19 -2.652 8.816 -1.416 1.00 0.00 C ATOM 281 OE1 GLU A 19 -2.388 9.565 -0.310 1.00 0.00 O ATOM 282 OE2 GLU A 19 -3.342 9.211 -2.346 1.00 0.00 O ATOM 0 H GLU A 19 -2.741 4.637 1.517 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.391 5.658 0.048 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.944 5.602 -0.704 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.128 6.951 0.399 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.925 7.567 -1.336 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.218 6.944 -2.342 1.00 0.00 H new ATOM 289 N ASP A 20 -0.360 6.378 2.815 1.00 0.00 N ATOM 290 CA ASP A 20 0.224 7.241 3.839 1.00 0.00 C ATOM 291 C ASP A 20 1.511 6.657 4.374 1.00 0.00 C ATOM 292 O ASP A 20 2.538 7.339 4.496 1.00 0.00 O ATOM 293 CB ASP A 20 -0.804 7.505 4.969 1.00 0.00 C ATOM 294 CG ASP A 20 -0.669 8.834 5.727 1.00 0.00 C ATOM 295 OD1 ASP A 20 -0.848 9.923 5.200 1.00 0.00 O ATOM 296 OD2 ASP A 20 -0.306 8.665 7.034 1.00 0.00 O ATOM 0 H ASP A 20 -0.342 5.384 3.044 1.00 0.00 H new ATOM 0 HA ASP A 20 0.475 8.200 3.385 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -1.804 7.460 4.537 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.732 6.692 5.692 1.00 0.00 H new ATOM 301 N LYS A 21 1.470 5.386 4.727 1.00 0.00 N ATOM 302 CA LYS A 21 2.635 4.685 5.263 1.00 0.00 C ATOM 303 C LYS A 21 3.568 4.228 4.166 1.00 0.00 C ATOM 304 O LYS A 21 4.750 3.929 4.405 1.00 0.00 O ATOM 305 CB LYS A 21 2.157 3.480 6.120 1.00 0.00 C ATOM 306 CG LYS A 21 2.309 2.111 5.412 1.00 0.00 C ATOM 307 CD LYS A 21 1.035 1.261 5.378 1.00 0.00 C ATOM 308 CE LYS A 21 0.899 0.606 3.997 1.00 0.00 C ATOM 309 NZ LYS A 21 1.429 -0.768 4.051 1.00 0.00 N ATOM 0 H LYS A 21 0.634 4.807 4.653 1.00 0.00 H new ATOM 0 HA LYS A 21 3.198 5.377 5.889 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.722 3.462 7.052 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.110 3.627 6.385 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.642 2.282 4.388 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.094 1.544 5.912 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.074 0.496 6.154 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.164 1.882 5.586 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.147 0.592 3.691 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.442 1.188 3.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.337 -1.213 3.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.432 -0.743 4.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.893 -1.320 4.751 1.00 0.00 H new ATOM 323 N ALA A 22 3.064 4.131 2.951 1.00 0.00 N ATOM 324 CA ALA A 22 3.897 3.859 1.781 1.00 0.00 C ATOM 325 C ALA A 22 4.737 5.055 1.396 1.00 0.00 C ATOM 326 O ALA A 22 5.767 4.926 0.712 1.00 0.00 O ATOM 327 CB ALA A 22 2.963 3.405 0.645 1.00 0.00 C ATOM 0 H ALA A 22 2.072 4.237 2.741 1.00 0.00 H new ATOM 0 HA ALA A 22 4.615 3.070 2.004 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.552 3.193 -0.247 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.429 2.505 0.950 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.245 4.196 0.426 1.00 0.00 H new ATOM 333 N ARG A 23 4.312 6.241 1.788 1.00 0.00 N ATOM 334 CA ARG A 23 5.071 7.462 1.531 1.00 0.00 C ATOM 335 C ARG A 23 6.425 7.422 2.200 1.00 0.00 C ATOM 336 O ARG A 23 7.457 7.758 1.598 1.00 0.00 O ATOM 337 CB ARG A 23 4.239 8.682 2.015 1.00 0.00 C ATOM 338 CG ARG A 23 3.586 9.518 0.882 1.00 0.00 C ATOM 339 CD ARG A 23 2.607 8.695 0.034 1.00 0.00 C ATOM 340 NE ARG A 23 3.230 8.447 -1.291 1.00 0.00 N ATOM 341 CZ ARG A 23 2.577 8.321 -2.438 1.00 0.00 C ATOM 342 NH1 ARG A 23 1.285 8.403 -2.559 1.00 0.00 N ATOM 343 NH2 ARG A 23 3.273 8.102 -3.496 1.00 0.00 N ATOM 0 H ARG A 23 3.437 6.391 2.291 1.00 0.00 H new ATOM 0 HA ARG A 23 5.254 7.551 0.460 1.00 0.00 H new ATOM 0 HB2 ARG A 23 3.454 8.326 2.683 1.00 0.00 H new ATOM 0 HB3 ARG A 23 4.885 9.335 2.602 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.059 10.367 1.318 1.00 0.00 H new ATOM 0 HG3 ARG A 23 4.366 9.924 0.239 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.378 7.751 0.528 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.665 9.230 -0.084 1.00 0.00 H new ATOM 0 HE ARG A 23 4.246 8.367 -1.321 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.706 8.575 -1.737 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.851 8.295 -3.476 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.289 8.031 -3.433 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.810 7.999 -4.399 1.00 0.00 H new ATOM 357 N GLU A 24 6.451 7.038 3.462 1.00 0.00 N ATOM 358 CA GLU A 24 7.677 7.068 4.256 1.00 0.00 C ATOM 359 C GLU A 24 8.535 5.858 3.970 1.00 0.00 C ATOM 360 O GLU A 24 9.770 5.929 3.908 1.00 0.00 O ATOM 361 CB GLU A 24 7.291 7.141 5.760 1.00 0.00 C ATOM 362 CG GLU A 24 6.229 8.213 6.174 1.00 0.00 C ATOM 363 CD GLU A 24 5.388 7.958 7.426 1.00 0.00 C ATOM 364 OE1 GLU A 24 5.864 7.923 8.553 1.00 0.00 O ATOM 365 OE2 GLU A 24 4.063 7.774 7.169 1.00 0.00 O ATOM 0 H GLU A 24 5.633 6.698 3.968 1.00 0.00 H new ATOM 0 HA GLU A 24 8.266 7.946 3.990 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.918 6.162 6.061 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.199 7.326 6.333 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.750 9.161 6.311 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.545 8.344 5.336 1.00 0.00 H new ATOM 372 N LEU A 25 7.894 4.715 3.816 1.00 0.00 N ATOM 373 CA LEU A 25 8.568 3.492 3.387 1.00 0.00 C ATOM 374 C LEU A 25 9.204 3.641 2.023 1.00 0.00 C ATOM 375 O LEU A 25 10.101 2.873 1.643 1.00 0.00 O ATOM 376 CB LEU A 25 7.573 2.295 3.394 1.00 0.00 C ATOM 377 CG LEU A 25 7.546 1.357 2.156 1.00 0.00 C ATOM 378 CD1 LEU A 25 6.885 0.021 2.521 1.00 0.00 C ATOM 379 CD2 LEU A 25 6.821 1.983 0.953 1.00 0.00 C ATOM 0 H LEU A 25 6.894 4.602 3.983 1.00 0.00 H new ATOM 0 HA LEU A 25 9.370 3.295 4.099 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.793 1.684 4.270 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.569 2.697 3.529 1.00 0.00 H new ATOM 0 HG LEU A 25 8.582 1.193 1.860 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.871 -0.629 1.646 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.450 -0.458 3.320 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.863 0.200 2.856 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.833 1.284 0.117 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.789 2.206 1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.326 2.904 0.663 1.00 0.00 H new ATOM 391 N ILE A 26 8.735 4.599 1.246 1.00 0.00 N ATOM 392 CA ILE A 26 9.331 4.913 -0.050 1.00 0.00 C ATOM 393 C ILE A 26 10.687 5.559 0.109 1.00 0.00 C ATOM 394 O ILE A 26 11.601 5.363 -0.707 1.00 0.00 O ATOM 395 CB ILE A 26 8.357 5.800 -0.928 1.00 0.00 C ATOM 396 CG1 ILE A 26 7.374 4.990 -1.833 1.00 0.00 C ATOM 397 CG2 ILE A 26 9.117 6.821 -1.830 1.00 0.00 C ATOM 398 CD1 ILE A 26 5.995 5.637 -2.076 1.00 0.00 C ATOM 0 H ILE A 26 7.934 5.182 1.489 1.00 0.00 H new ATOM 0 HA ILE A 26 9.483 3.974 -0.582 1.00 0.00 H new ATOM 0 HB ILE A 26 7.768 6.328 -0.178 1.00 0.00 H new ATOM 0 HG12 ILE A 26 7.852 4.825 -2.799 1.00 0.00 H new ATOM 0 HG13 ILE A 26 7.220 4.010 -1.382 1.00 0.00 H new ATOM 0 HG21 ILE A 26 8.398 7.401 -2.409 1.00 0.00 H new ATOM 0 HG22 ILE A 26 9.705 7.492 -1.204 1.00 0.00 H new ATOM 0 HG23 ILE A 26 9.780 6.284 -2.508 1.00 0.00 H new ATOM 0 HD11 ILE A 26 5.397 4.989 -2.716 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.485 5.776 -1.123 1.00 0.00 H new ATOM 0 HD13 ILE A 26 6.127 6.604 -2.561 1.00 0.00 H new ATOM 410 N SER A 27 10.840 6.364 1.144 1.00 0.00 N ATOM 411 CA SER A 27 12.143 6.921 1.500 1.00 0.00 C ATOM 412 C SER A 27 13.086 5.830 1.954 1.00 0.00 C ATOM 413 O SER A 27 14.305 5.885 1.747 1.00 0.00 O ATOM 414 CB SER A 27 11.998 8.032 2.569 1.00 0.00 C ATOM 415 OG SER A 27 13.014 7.971 3.577 1.00 0.00 O ATOM 0 H SER A 27 10.078 6.651 1.758 1.00 0.00 H new ATOM 0 HA SER A 27 12.574 7.380 0.610 1.00 0.00 H new ATOM 0 HB2 SER A 27 12.035 9.006 2.081 1.00 0.00 H new ATOM 0 HB3 SER A 27 11.019 7.949 3.041 1.00 0.00 H new ATOM 0 HG SER A 27 12.877 8.694 4.224 1.00 0.00 H new ATOM 421 N ARG A 28 12.526 4.801 2.562 1.00 0.00 N ATOM 422 CA ARG A 28 13.276 3.599 2.919 1.00 0.00 C ATOM 423 C ARG A 28 13.646 2.786 1.701 1.00 0.00 C ATOM 424 O ARG A 28 14.693 2.119 1.662 1.00 0.00 O ATOM 425 CB ARG A 28 12.426 2.763 3.917 1.00 0.00 C ATOM 426 CG ARG A 28 12.980 1.344 4.233 1.00 0.00 C ATOM 427 CD ARG A 28 11.896 0.426 4.822 1.00 0.00 C ATOM 428 NE ARG A 28 12.465 -0.924 5.064 1.00 0.00 N ATOM 429 CZ ARG A 28 12.169 -1.715 6.089 1.00 0.00 C ATOM 430 NH1 ARG A 28 11.323 -1.414 7.029 1.00 0.00 N ATOM 431 NH2 ARG A 28 12.761 -2.856 6.149 1.00 0.00 N ATOM 0 H ARG A 28 11.541 4.769 2.824 1.00 0.00 H new ATOM 0 HA ARG A 28 14.215 3.891 3.390 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.341 3.319 4.851 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.418 2.661 3.514 1.00 0.00 H new ATOM 0 HG2 ARG A 28 13.378 0.898 3.322 1.00 0.00 H new ATOM 0 HG3 ARG A 28 13.809 1.426 4.936 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.518 0.845 5.754 1.00 0.00 H new ATOM 0 HD3 ARG A 28 11.051 0.358 4.137 1.00 0.00 H new ATOM 0 HE ARG A 28 13.141 -1.274 4.385 1.00 0.00 H new ATOM 0 HH11 ARG A 28 10.836 -0.518 7.009 1.00 0.00 H new ATOM 0 HH12 ARG A 28 11.146 -2.074 7.787 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.429 -3.123 5.426 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.562 -3.494 6.920 1.00 0.00 H new ATOM 445 N ILE A 29 12.821 2.838 0.672 1.00 0.00 N ATOM 446 CA ILE A 29 12.981 1.973 -0.494 1.00 0.00 C ATOM 447 C ILE A 29 14.152 2.418 -1.338 1.00 0.00 C ATOM 448 O ILE A 29 14.865 1.610 -1.949 1.00 0.00 O ATOM 449 CB ILE A 29 11.645 1.888 -1.338 1.00 0.00 C ATOM 450 CG1 ILE A 29 10.644 0.782 -0.870 1.00 0.00 C ATOM 451 CG2 ILE A 29 11.905 1.690 -2.864 1.00 0.00 C ATOM 452 CD1 ILE A 29 11.237 -0.353 -0.010 1.00 0.00 C ATOM 0 H ILE A 29 12.025 3.474 0.615 1.00 0.00 H new ATOM 0 HA ILE A 29 13.197 0.965 -0.139 1.00 0.00 H new ATOM 0 HB ILE A 29 11.184 2.859 -1.157 1.00 0.00 H new ATOM 0 HG12 ILE A 29 9.846 1.260 -0.303 1.00 0.00 H new ATOM 0 HG13 ILE A 29 10.186 0.338 -1.754 1.00 0.00 H new ATOM 0 HG21 ILE A 29 10.953 1.639 -3.392 1.00 0.00 H new ATOM 0 HG22 ILE A 29 12.487 2.529 -3.246 1.00 0.00 H new ATOM 0 HG23 ILE A 29 12.457 0.764 -3.022 1.00 0.00 H new ATOM 0 HD11 ILE A 29 10.450 -1.059 0.254 1.00 0.00 H new ATOM 0 HD12 ILE A 29 12.013 -0.870 -0.574 1.00 0.00 H new ATOM 0 HD13 ILE A 29 11.668 0.066 0.899 1.00 0.00 H new ATOM 464 N LYS A 30 14.378 3.719 -1.375 1.00 0.00 N ATOM 465 CA LYS A 30 15.545 4.286 -2.044 1.00 0.00 C ATOM 466 C LYS A 30 16.817 3.940 -1.308 1.00 0.00 C ATOM 467 O LYS A 30 17.857 3.634 -1.909 1.00 0.00 O ATOM 468 CB LYS A 30 15.375 5.826 -2.162 1.00 0.00 C ATOM 469 CG LYS A 30 14.514 6.259 -3.375 1.00 0.00 C ATOM 470 CD LYS A 30 13.231 7.014 -3.017 1.00 0.00 C ATOM 471 CE LYS A 30 12.935 8.055 -4.104 1.00 0.00 C ATOM 472 NZ LYS A 30 13.114 9.408 -3.549 1.00 0.00 N ATOM 0 H LYS A 30 13.765 4.412 -0.946 1.00 0.00 H new ATOM 0 HA LYS A 30 15.621 3.857 -3.043 1.00 0.00 H new ATOM 0 HB2 LYS A 30 14.918 6.205 -1.248 1.00 0.00 H new ATOM 0 HB3 LYS A 30 16.359 6.288 -2.241 1.00 0.00 H new ATOM 0 HG2 LYS A 30 15.120 6.889 -4.026 1.00 0.00 H new ATOM 0 HG3 LYS A 30 14.248 5.371 -3.949 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.398 6.317 -2.929 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.341 7.503 -2.049 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.601 7.908 -4.954 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.916 7.933 -4.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.914 10.115 -4.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.461 9.545 -2.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.094 9.521 -3.219 1.00 0.00 H new ATOM 486 N GLN A 31 16.767 3.996 0.010 1.00 0.00 N ATOM 487 CA GLN A 31 17.956 3.841 0.846 1.00 0.00 C ATOM 488 C GLN A 31 18.135 2.412 1.303 1.00 0.00 C ATOM 489 O GLN A 31 18.525 2.141 2.450 1.00 0.00 O ATOM 490 CB GLN A 31 17.825 4.792 2.057 1.00 0.00 C ATOM 491 CG GLN A 31 19.117 5.579 2.458 1.00 0.00 C ATOM 492 CD GLN A 31 19.223 6.176 3.867 1.00 0.00 C ATOM 493 OE1 GLN A 31 19.387 7.375 4.033 1.00 0.00 O ATOM 494 NE2 GLN A 31 19.112 5.402 4.916 1.00 0.00 N ATOM 0 H GLN A 31 15.906 4.150 0.536 1.00 0.00 H new ATOM 0 HA GLN A 31 18.841 4.096 0.263 1.00 0.00 H new ATOM 0 HB2 GLN A 31 17.037 5.513 1.843 1.00 0.00 H new ATOM 0 HB3 GLN A 31 17.498 4.208 2.918 1.00 0.00 H new ATOM 0 HG2 GLN A 31 19.965 4.908 2.321 1.00 0.00 H new ATOM 0 HG3 GLN A 31 19.238 6.395 1.746 1.00 0.00 H new ATOM 0 HE21 GLN A 31 18.975 4.398 4.797 1.00 0.00 H new ATOM 0 HE22 GLN A 31 19.163 5.802 5.853 1.00 0.00 H new ATOM 503 N SER A 32 17.837 1.469 0.431 1.00 0.00 N ATOM 504 CA SER A 32 17.973 0.048 0.735 1.00 0.00 C ATOM 505 C SER A 32 17.940 -0.777 -0.561 1.00 0.00 C ATOM 506 O SER A 32 18.962 -1.098 -1.175 1.00 0.00 O ATOM 507 CB SER A 32 16.927 -0.372 1.810 1.00 0.00 C ATOM 508 OG SER A 32 16.559 -1.751 1.721 1.00 0.00 O ATOM 0 H SER A 32 17.493 1.661 -0.510 1.00 0.00 H new ATOM 0 HA SER A 32 18.945 -0.159 1.182 1.00 0.00 H new ATOM 0 HB2 SER A 32 17.333 -0.173 2.802 1.00 0.00 H new ATOM 0 HB3 SER A 32 16.035 0.244 1.701 1.00 0.00 H new ATOM 0 HG SER A 32 15.903 -1.960 2.418 1.00 0.00 H new ATOM 514 N GLU A 33 16.731 -1.137 -0.915 1.00 0.00 N ATOM 515 CA GLU A 33 16.466 -1.731 -2.223 1.00 0.00 C ATOM 516 C GLU A 33 17.032 -3.123 -2.375 1.00 0.00 C ATOM 517 O GLU A 33 17.326 -3.597 -3.480 1.00 0.00 O ATOM 518 CB GLU A 33 17.108 -0.704 -3.215 1.00 0.00 C ATOM 519 CG GLU A 33 16.413 -0.548 -4.606 1.00 0.00 C ATOM 520 CD GLU A 33 17.051 -1.137 -5.859 1.00 0.00 C ATOM 521 OE1 GLU A 33 16.907 -2.489 -5.969 1.00 0.00 O ATOM 522 OE2 GLU A 33 17.643 -0.460 -6.693 1.00 0.00 O ATOM 0 H GLU A 33 15.907 -1.033 -0.322 1.00 0.00 H new ATOM 0 HA GLU A 33 15.402 -1.886 -2.400 1.00 0.00 H new ATOM 0 HB2 GLU A 33 17.125 0.273 -2.731 1.00 0.00 H new ATOM 0 HB3 GLU A 33 18.145 -0.995 -3.383 1.00 0.00 H new ATOM 0 HG2 GLU A 33 15.416 -0.981 -4.518 1.00 0.00 H new ATOM 0 HG3 GLU A 33 16.282 0.520 -4.783 1.00 0.00 H new ATOM 529 N LEU A 34 17.213 -3.797 -1.253 1.00 0.00 N ATOM 530 CA LEU A 34 17.592 -5.207 -1.248 1.00 0.00 C ATOM 531 C LEU A 34 16.367 -6.089 -1.180 1.00 0.00 C ATOM 532 O LEU A 34 16.295 -7.159 -1.795 1.00 0.00 O ATOM 533 CB LEU A 34 18.567 -5.513 -0.076 1.00 0.00 C ATOM 534 CG LEU A 34 18.105 -5.190 1.371 1.00 0.00 C ATOM 535 CD1 LEU A 34 18.691 -6.214 2.353 1.00 0.00 C ATOM 536 CD2 LEU A 34 18.491 -3.769 1.814 1.00 0.00 C ATOM 0 H LEU A 34 17.104 -3.390 -0.324 1.00 0.00 H new ATOM 0 HA LEU A 34 18.112 -5.424 -2.181 1.00 0.00 H new ATOM 0 HB2 LEU A 34 18.813 -6.574 -0.117 1.00 0.00 H new ATOM 0 HB3 LEU A 34 19.491 -4.964 -0.260 1.00 0.00 H new ATOM 0 HG LEU A 34 17.017 -5.247 1.376 1.00 0.00 H new ATOM 0 HD11 LEU A 34 18.361 -5.978 3.365 1.00 0.00 H new ATOM 0 HD12 LEU A 34 18.349 -7.213 2.083 1.00 0.00 H new ATOM 0 HD13 LEU A 34 19.780 -6.179 2.309 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.143 -3.598 2.833 1.00 0.00 H new ATOM 0 HD22 LEU A 34 19.575 -3.658 1.777 1.00 0.00 H new ATOM 0 HD23 LEU A 34 18.029 -3.042 1.146 1.00 0.00 H new ATOM 548 N SER A 35 15.367 -5.635 -0.447 1.00 0.00 N ATOM 549 CA SER A 35 14.065 -6.298 -0.408 1.00 0.00 C ATOM 550 C SER A 35 14.098 -7.634 0.305 1.00 0.00 C ATOM 551 O SER A 35 13.146 -8.426 0.205 1.00 0.00 O ATOM 552 CB SER A 35 13.496 -6.449 -1.845 1.00 0.00 C ATOM 553 OG SER A 35 12.071 -6.327 -1.893 1.00 0.00 O ATOM 0 H SER A 35 15.428 -4.801 0.137 1.00 0.00 H new ATOM 0 HA SER A 35 13.402 -5.660 0.176 1.00 0.00 H new ATOM 0 HB2 SER A 35 13.943 -5.692 -2.489 1.00 0.00 H new ATOM 0 HB3 SER A 35 13.787 -7.420 -2.246 1.00 0.00 H new ATOM 0 HG SER A 35 11.765 -6.428 -2.818 1.00 0.00 H new ATOM 559 N ALA A 36 15.177 -7.932 1.000 1.00 0.00 N ATOM 560 CA ALA A 36 15.295 -9.105 1.866 1.00 0.00 C ATOM 561 C ALA A 36 15.729 -10.341 1.110 1.00 0.00 C ATOM 562 O ALA A 36 16.393 -11.235 1.670 1.00 0.00 O ATOM 563 CB ALA A 36 13.954 -9.305 2.598 1.00 0.00 C ATOM 0 H ALA A 36 16.019 -7.357 0.983 1.00 0.00 H new ATOM 0 HA ALA A 36 16.084 -8.933 2.598 1.00 0.00 H new ATOM 0 HB1 ALA A 36 14.022 -10.176 3.250 1.00 0.00 H new ATOM 0 HB2 ALA A 36 13.730 -8.421 3.196 1.00 0.00 H new ATOM 0 HB3 ALA A 36 13.160 -9.459 1.867 1.00 0.00 H new ATOM 569 N LYS A 37 15.403 -10.428 -0.164 1.00 0.00 N ATOM 570 CA LYS A 37 15.709 -11.603 -0.976 1.00 0.00 C ATOM 571 C LYS A 37 16.774 -11.287 -2.000 1.00 0.00 C ATOM 572 O LYS A 37 17.526 -12.164 -2.449 1.00 0.00 O ATOM 573 CB LYS A 37 14.408 -12.111 -1.657 1.00 0.00 C ATOM 574 CG LYS A 37 14.651 -12.828 -3.008 1.00 0.00 C ATOM 575 CD LYS A 37 13.421 -13.527 -3.595 1.00 0.00 C ATOM 576 CE LYS A 37 13.049 -14.724 -2.710 1.00 0.00 C ATOM 577 NZ LYS A 37 11.702 -14.518 -2.148 1.00 0.00 N ATOM 0 H LYS A 37 14.918 -9.689 -0.672 1.00 0.00 H new ATOM 0 HA LYS A 37 16.101 -12.391 -0.333 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.897 -12.795 -0.979 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.740 -11.265 -1.820 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.016 -12.098 -3.730 1.00 0.00 H new ATOM 0 HG3 LYS A 37 15.442 -13.566 -2.874 1.00 0.00 H new ATOM 0 HD2 LYS A 37 12.585 -12.830 -3.654 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.629 -13.862 -4.611 1.00 0.00 H new ATOM 0 HE2 LYS A 37 13.074 -15.644 -3.294 1.00 0.00 H new ATOM 0 HE3 LYS A 37 13.777 -14.836 -1.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.449 -15.329 -1.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.693 -13.649 -1.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.013 -14.431 -2.922 1.00 0.00 H new ATOM 591 N MET A 38 16.842 -10.034 -2.408 1.00 0.00 N ATOM 592 CA MET A 38 17.925 -9.565 -3.270 1.00 0.00 C ATOM 593 C MET A 38 19.177 -9.299 -2.469 1.00 0.00 C ATOM 594 O MET A 38 19.398 -8.175 -1.919 1.00 0.00 O ATOM 595 CB MET A 38 17.476 -8.291 -4.037 1.00 0.00 C ATOM 596 CG MET A 38 17.763 -8.282 -5.554 1.00 0.00 C ATOM 597 SD MET A 38 19.150 -7.190 -5.904 1.00 0.00 S ATOM 598 CE MET A 38 19.063 -7.211 -7.700 1.00 0.00 C ATOM 599 OXT MET A 38 19.995 -10.266 -2.376 1.00 0.00 O ATOM 0 H MET A 38 16.161 -9.316 -2.159 1.00 0.00 H new ATOM 0 HA MET A 38 18.157 -10.346 -3.994 1.00 0.00 H new ATOM 0 HB2 MET A 38 16.404 -8.160 -3.889 1.00 0.00 H new ATOM 0 HB3 MET A 38 17.968 -7.428 -3.588 1.00 0.00 H new ATOM 0 HG2 MET A 38 17.988 -9.292 -5.897 1.00 0.00 H new ATOM 0 HG3 MET A 38 16.880 -7.949 -6.099 1.00 0.00 H new ATOM 0 HE1 MET A 38 19.854 -6.583 -8.110 1.00 0.00 H new ATOM 0 HE2 MET A 38 19.189 -8.233 -8.058 1.00 0.00 H new ATOM 0 HE3 MET A 38 18.094 -6.830 -8.022 1.00 0.00 H new TER 609 MET A 38