USER MOD reduce.3.24.130724 H: found=0, std=0, add=293, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 288 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 SER N :NH3+ -110:sc= 0.068 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 HIS :FLIP no HD1:sc= -0.0372 F(o=-0.92,f=-0.037) USER MOD Single : A 14 HIS : no HE2:sc= -3.04! C(o=-3!,f=-3.9!) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 ASN : amide:sc= -0.0513 X(o=-0.051,f=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 90:sc= 1.24 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -9.662 -1.466 14.848 1.00 0.00 N ATOM 2 CA SER A 1 -10.951 -2.192 14.631 1.00 0.00 C ATOM 3 C SER A 1 -11.849 -1.410 13.666 1.00 0.00 C ATOM 4 O SER A 1 -11.649 -0.232 13.434 1.00 0.00 O ATOM 5 CB SER A 1 -11.603 -2.279 16.014 1.00 0.00 C ATOM 6 OG SER A 1 -12.775 -3.082 15.933 1.00 0.00 O ATOM 0 H1 SER A 1 -8.887 -1.990 14.393 1.00 0.00 H new ATOM 0 H2 SER A 1 -9.726 -0.514 14.434 1.00 0.00 H new ATOM 0 H3 SER A 1 -9.475 -1.388 15.868 1.00 0.00 H new ATOM 0 HA SER A 1 -10.794 -3.177 14.192 1.00 0.00 H new ATOM 0 HB2 SER A 1 -10.904 -2.708 16.732 1.00 0.00 H new ATOM 0 HB3 SER A 1 -11.856 -1.281 16.373 1.00 0.00 H new ATOM 0 HG SER A 1 -13.193 -3.141 16.817 1.00 0.00 H new ATOM 11 N ASP A 2 -12.841 -2.058 13.106 1.00 0.00 N ATOM 12 CA ASP A 2 -13.762 -1.362 12.158 1.00 0.00 C ATOM 13 C ASP A 2 -15.183 -1.920 12.291 1.00 0.00 C ATOM 14 O ASP A 2 -15.378 -3.099 12.522 1.00 0.00 O ATOM 15 CB ASP A 2 -13.200 -1.652 10.764 1.00 0.00 C ATOM 16 CG ASP A 2 -13.598 -0.523 9.812 1.00 0.00 C ATOM 17 OD1 ASP A 2 -14.702 -0.569 9.297 1.00 0.00 O ATOM 18 OD2 ASP A 2 -12.791 0.370 9.619 1.00 0.00 O ATOM 0 H ASP A 2 -13.052 -3.043 13.266 1.00 0.00 H new ATOM 0 HA ASP A 2 -13.821 -0.292 12.357 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -12.114 -1.740 10.808 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -13.582 -2.604 10.396 1.00 0.00 H new ATOM 23 N LEU A 3 -16.175 -1.078 12.147 1.00 0.00 N ATOM 24 CA LEU A 3 -17.589 -1.549 12.265 1.00 0.00 C ATOM 25 C LEU A 3 -18.512 -0.674 11.403 1.00 0.00 C ATOM 26 O LEU A 3 -19.202 0.194 11.907 1.00 0.00 O ATOM 27 CB LEU A 3 -17.924 -1.409 13.749 1.00 0.00 C ATOM 28 CG LEU A 3 -19.194 -2.205 14.074 1.00 0.00 C ATOM 29 CD1 LEU A 3 -18.920 -3.703 13.916 1.00 0.00 C ATOM 30 CD2 LEU A 3 -19.617 -1.916 15.515 1.00 0.00 C ATOM 0 H LEU A 3 -16.067 -0.083 11.952 1.00 0.00 H new ATOM 0 HA LEU A 3 -17.721 -2.574 11.917 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -17.093 -1.771 14.354 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -18.068 -0.358 14.001 1.00 0.00 H new ATOM 0 HG LEU A 3 -19.990 -1.910 13.390 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -19.825 -4.265 14.148 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -18.617 -3.911 12.890 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -18.123 -4.001 14.598 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -20.520 -2.480 15.749 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -18.818 -2.211 16.195 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -19.815 -0.850 15.629 1.00 0.00 H new ATOM 42 N PRO A 4 -18.487 -0.939 10.121 1.00 0.00 N ATOM 43 CA PRO A 4 -19.313 -0.187 9.157 1.00 0.00 C ATOM 44 C PRO A 4 -20.683 -0.865 8.980 1.00 0.00 C ATOM 45 O PRO A 4 -21.156 -1.565 9.858 1.00 0.00 O ATOM 46 CB PRO A 4 -18.477 -0.257 7.877 1.00 0.00 C ATOM 47 CG PRO A 4 -17.617 -1.484 8.012 1.00 0.00 C ATOM 48 CD PRO A 4 -17.687 -1.956 9.447 1.00 0.00 C ATOM 0 HA PRO A 4 -19.534 0.835 9.463 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -19.116 -0.323 6.996 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -17.865 0.638 7.761 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -17.963 -2.267 7.337 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -16.587 -1.258 7.736 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -18.150 -2.940 9.520 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -16.694 -2.038 9.888 1.00 0.00 H new ATOM 56 N ALA A 5 -21.322 -0.662 7.852 1.00 0.00 N ATOM 57 CA ALA A 5 -22.657 -1.288 7.610 1.00 0.00 C ATOM 58 C ALA A 5 -22.962 -1.296 6.108 1.00 0.00 C ATOM 59 O ALA A 5 -23.526 -0.360 5.572 1.00 0.00 O ATOM 60 CB ALA A 5 -23.657 -0.406 8.360 1.00 0.00 C ATOM 0 H ALA A 5 -20.973 -0.086 7.086 1.00 0.00 H new ATOM 0 HA ALA A 5 -22.700 -2.322 7.952 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -24.663 -0.804 8.229 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -23.407 -0.394 9.421 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -23.614 0.609 7.966 1.00 0.00 H new ATOM 66 N LEU A 6 -22.575 -2.350 5.430 1.00 0.00 N ATOM 67 CA LEU A 6 -22.817 -2.454 3.950 1.00 0.00 C ATOM 68 C LEU A 6 -22.108 -1.311 3.203 1.00 0.00 C ATOM 69 O LEU A 6 -22.588 -0.823 2.196 1.00 0.00 O ATOM 70 CB LEU A 6 -24.339 -2.362 3.777 1.00 0.00 C ATOM 71 CG LEU A 6 -24.836 -3.544 2.939 1.00 0.00 C ATOM 72 CD1 LEU A 6 -26.327 -3.765 3.202 1.00 0.00 C ATOM 73 CD2 LEU A 6 -24.622 -3.243 1.453 1.00 0.00 C ATOM 0 H LEU A 6 -22.097 -3.152 5.840 1.00 0.00 H new ATOM 0 HA LEU A 6 -22.423 -3.383 3.538 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -24.826 -2.365 4.752 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -24.603 -1.423 3.291 1.00 0.00 H new ATOM 0 HG LEU A 6 -24.280 -4.441 3.213 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -26.681 -4.606 2.606 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -26.482 -3.979 4.259 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -26.882 -2.867 2.928 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -24.976 -4.084 0.857 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -25.177 -2.346 1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -23.560 -3.085 1.263 1.00 0.00 H new ATOM 85 N SER A 7 -20.965 -0.892 3.688 1.00 0.00 N ATOM 86 CA SER A 7 -20.209 0.210 3.018 1.00 0.00 C ATOM 87 C SER A 7 -18.708 0.047 3.294 1.00 0.00 C ATOM 88 O SER A 7 -18.090 0.869 3.947 1.00 0.00 O ATOM 89 CB SER A 7 -20.749 1.499 3.647 1.00 0.00 C ATOM 90 OG SER A 7 -20.204 2.623 2.964 1.00 0.00 O ATOM 0 H SER A 7 -20.521 -1.269 4.525 1.00 0.00 H new ATOM 0 HA SER A 7 -20.334 0.212 1.935 1.00 0.00 H new ATOM 0 HB2 SER A 7 -21.837 1.517 3.589 1.00 0.00 H new ATOM 0 HB3 SER A 7 -20.486 1.539 4.704 1.00 0.00 H new ATOM 0 HG SER A 7 -20.550 3.448 3.364 1.00 0.00 H new ATOM 96 N THR A 8 -18.119 -1.018 2.807 1.00 0.00 N ATOM 97 CA THR A 8 -16.658 -1.251 3.045 1.00 0.00 C ATOM 98 C THR A 8 -15.845 -1.035 1.756 1.00 0.00 C ATOM 99 O THR A 8 -14.664 -1.326 1.712 1.00 0.00 O ATOM 100 CB THR A 8 -16.547 -2.713 3.513 1.00 0.00 C ATOM 101 OG1 THR A 8 -17.737 -3.099 4.198 1.00 0.00 O ATOM 102 CG2 THR A 8 -15.349 -2.862 4.456 1.00 0.00 C ATOM 0 H THR A 8 -18.586 -1.737 2.255 1.00 0.00 H new ATOM 0 HA THR A 8 -16.259 -0.554 3.782 1.00 0.00 H new ATOM 0 HB THR A 8 -16.410 -3.353 2.642 1.00 0.00 H new ATOM 0 HG1 THR A 8 -17.658 -4.031 4.491 1.00 0.00 H new ATOM 0 HG21 THR A 8 -15.272 -3.898 4.786 1.00 0.00 H new ATOM 0 HG22 THR A 8 -14.436 -2.580 3.932 1.00 0.00 H new ATOM 0 HG23 THR A 8 -15.485 -2.214 5.322 1.00 0.00 H new ATOM 110 N GLY A 9 -16.459 -0.520 0.715 1.00 0.00 N ATOM 111 CA GLY A 9 -15.713 -0.283 -0.560 1.00 0.00 C ATOM 112 C GLY A 9 -14.646 0.789 -0.329 1.00 0.00 C ATOM 113 O GLY A 9 -13.475 0.575 -0.583 1.00 0.00 O ATOM 0 H GLY A 9 -17.444 -0.254 0.695 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -15.248 -1.208 -0.900 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -16.401 0.035 -1.344 1.00 0.00 H new ATOM 117 N LEU A 10 -15.045 1.938 0.161 1.00 0.00 N ATOM 118 CA LEU A 10 -14.056 3.030 0.427 1.00 0.00 C ATOM 119 C LEU A 10 -13.054 2.580 1.498 1.00 0.00 C ATOM 120 O LEU A 10 -11.887 2.914 1.438 1.00 0.00 O ATOM 121 CB LEU A 10 -14.884 4.222 0.930 1.00 0.00 C ATOM 122 CG LEU A 10 -14.780 5.391 -0.058 1.00 0.00 C ATOM 123 CD1 LEU A 10 -13.309 5.762 -0.276 1.00 0.00 C ATOM 124 CD2 LEU A 10 -15.410 4.994 -1.396 1.00 0.00 C ATOM 0 H LEU A 10 -16.013 2.167 0.388 1.00 0.00 H new ATOM 0 HA LEU A 10 -13.482 3.289 -0.463 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -15.927 3.927 1.047 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -14.528 4.533 1.912 1.00 0.00 H new ATOM 0 HG LEU A 10 -15.310 6.250 0.352 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -13.244 6.593 -0.979 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -12.863 6.055 0.674 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -12.773 4.903 -0.679 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -15.334 5.827 -2.095 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -14.885 4.130 -1.803 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -16.460 4.743 -1.244 1.00 0.00 H new ATOM 136 N LEU A 11 -13.501 1.815 2.469 1.00 0.00 N ATOM 137 CA LEU A 11 -12.574 1.328 3.540 1.00 0.00 C ATOM 138 C LEU A 11 -11.408 0.556 2.909 1.00 0.00 C ATOM 139 O LEU A 11 -10.255 0.796 3.218 1.00 0.00 O ATOM 140 CB LEU A 11 -13.426 0.401 4.417 1.00 0.00 C ATOM 141 CG LEU A 11 -12.940 0.474 5.866 1.00 0.00 C ATOM 142 CD1 LEU A 11 -13.758 1.520 6.628 1.00 0.00 C ATOM 143 CD2 LEU A 11 -13.117 -0.893 6.531 1.00 0.00 C ATOM 0 H LEU A 11 -14.469 1.508 2.565 1.00 0.00 H new ATOM 0 HA LEU A 11 -12.142 2.144 4.119 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -14.475 0.692 4.360 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -13.359 -0.624 4.052 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.887 0.754 5.882 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -13.411 1.572 7.660 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.634 2.494 6.155 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.811 1.240 6.613 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -12.771 -0.843 7.563 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -14.171 -1.172 6.514 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -12.535 -1.639 5.989 1.00 0.00 H new ATOM 155 N HIS A 12 -11.707 -0.357 2.014 1.00 0.00 N ATOM 156 CA HIS A 12 -10.625 -1.141 1.337 1.00 0.00 C ATOM 157 C HIS A 12 -9.748 -0.199 0.501 1.00 0.00 C ATOM 158 O HIS A 12 -8.541 -0.337 0.460 1.00 0.00 O ATOM 159 CB HIS A 12 -11.355 -2.139 0.429 1.00 0.00 C ATOM 160 CG HIS A 12 -11.768 -3.348 1.228 1.00 0.00 C ATOM 161 ND1 HIS A 12 -12.457 -3.477 2.409 1.00 0.00 N flip ATOM 162 CD2 HIS A 12 -11.471 -4.639 0.820 1.00 0.00 C flip ATOM 163 CE1 HIS A 12 -12.587 -4.825 2.731 1.00 0.00 C flip ATOM 164 NE2 HIS A 12 -11.976 -5.481 1.741 1.00 0.00 N flip ATOM 0 H HIS A 12 -12.656 -0.593 1.723 1.00 0.00 H new ATOM 0 HA HIS A 12 -9.973 -1.647 2.049 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -12.232 -1.667 -0.014 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -10.705 -2.439 -0.393 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -10.933 -4.918 -0.074 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -13.077 -5.249 3.595 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -11.901 -6.497 1.689 1.00 0.00 H new ATOM 172 N LEU A 13 -10.354 0.765 -0.154 1.00 0.00 N ATOM 173 CA LEU A 13 -9.568 1.736 -0.981 1.00 0.00 C ATOM 174 C LEU A 13 -8.546 2.469 -0.104 1.00 0.00 C ATOM 175 O LEU A 13 -7.410 2.662 -0.495 1.00 0.00 O ATOM 176 CB LEU A 13 -10.605 2.716 -1.538 1.00 0.00 C ATOM 177 CG LEU A 13 -10.044 3.410 -2.781 1.00 0.00 C ATOM 178 CD1 LEU A 13 -10.132 2.464 -3.981 1.00 0.00 C ATOM 179 CD2 LEU A 13 -10.859 4.673 -3.067 1.00 0.00 C ATOM 0 H LEU A 13 -11.362 0.921 -0.151 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.008 1.244 -1.777 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -11.523 2.185 -1.789 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -10.863 3.457 -0.781 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.002 3.678 -2.608 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.732 2.960 -4.865 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.553 1.563 -3.777 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -11.173 2.194 -4.156 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.462 5.170 -3.952 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -11.901 4.403 -3.240 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.796 5.348 -2.213 1.00 0.00 H new ATOM 191 N HIS A 14 -8.941 2.866 1.087 1.00 0.00 N ATOM 192 CA HIS A 14 -7.990 3.571 2.004 1.00 0.00 C ATOM 193 C HIS A 14 -6.824 2.634 2.341 1.00 0.00 C ATOM 194 O HIS A 14 -5.670 2.984 2.182 1.00 0.00 O ATOM 195 CB HIS A 14 -8.811 3.905 3.262 1.00 0.00 C ATOM 196 CG HIS A 14 -7.888 4.260 4.404 1.00 0.00 C ATOM 197 ND1 HIS A 14 -8.081 3.779 5.691 1.00 0.00 N ATOM 198 CD2 HIS A 14 -6.758 5.039 4.462 1.00 0.00 C ATOM 199 CE1 HIS A 14 -7.088 4.267 6.458 1.00 0.00 C ATOM 200 NE2 HIS A 14 -6.257 5.042 5.760 1.00 0.00 N ATOM 0 H HIS A 14 -9.880 2.731 1.461 1.00 0.00 H new ATOM 0 HA HIS A 14 -7.565 4.472 1.561 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -9.484 4.737 3.056 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -9.432 3.053 3.537 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -8.837 3.168 6.000 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -6.324 5.569 3.627 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -6.978 4.056 7.511 1.00 0.00 H new ATOM 208 N GLN A 15 -7.125 1.437 2.790 1.00 0.00 N ATOM 209 CA GLN A 15 -6.045 0.458 3.124 1.00 0.00 C ATOM 210 C GLN A 15 -5.177 0.191 1.887 1.00 0.00 C ATOM 211 O GLN A 15 -3.979 0.028 1.988 1.00 0.00 O ATOM 212 CB GLN A 15 -6.783 -0.817 3.550 1.00 0.00 C ATOM 213 CG GLN A 15 -5.826 -1.739 4.313 1.00 0.00 C ATOM 214 CD GLN A 15 -5.771 -1.320 5.785 1.00 0.00 C ATOM 215 OE1 GLN A 15 -6.732 -1.481 6.512 1.00 0.00 O ATOM 216 NE2 GLN A 15 -4.678 -0.786 6.259 1.00 0.00 N ATOM 0 H GLN A 15 -8.075 1.097 2.939 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.381 0.823 3.907 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.636 -0.562 4.179 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.176 -1.331 2.673 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.160 -2.773 4.231 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -4.830 -1.690 3.873 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -3.871 -0.650 5.650 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -4.631 -0.504 7.238 1.00 0.00 H new ATOM 225 N ASN A 16 -5.781 0.156 0.722 1.00 0.00 N ATOM 226 CA ASN A 16 -5.003 -0.093 -0.532 1.00 0.00 C ATOM 227 C ASN A 16 -3.967 1.017 -0.750 1.00 0.00 C ATOM 228 O ASN A 16 -2.823 0.752 -1.062 1.00 0.00 O ATOM 229 CB ASN A 16 -6.042 -0.089 -1.660 1.00 0.00 C ATOM 230 CG ASN A 16 -5.863 -1.337 -2.525 1.00 0.00 C ATOM 231 OD1 ASN A 16 -6.813 -2.045 -2.790 1.00 0.00 O ATOM 232 ND2 ASN A 16 -4.679 -1.642 -2.982 1.00 0.00 N ATOM 0 H ASN A 16 -6.783 0.290 0.587 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.453 -1.033 -0.490 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -7.048 -0.065 -1.241 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -5.929 0.808 -2.269 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -4.554 -2.473 -3.560 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -3.879 -1.049 -2.761 1.00 0.00 H new ATOM 239 N ILE A 17 -4.358 2.257 -0.580 1.00 0.00 N ATOM 240 CA ILE A 17 -3.391 3.387 -0.770 1.00 0.00 C ATOM 241 C ILE A 17 -2.406 3.434 0.408 1.00 0.00 C ATOM 242 O ILE A 17 -1.234 3.707 0.235 1.00 0.00 O ATOM 243 CB ILE A 17 -4.257 4.655 -0.813 1.00 0.00 C ATOM 244 CG1 ILE A 17 -5.119 4.646 -2.082 1.00 0.00 C ATOM 245 CG2 ILE A 17 -3.359 5.896 -0.824 1.00 0.00 C ATOM 246 CD1 ILE A 17 -6.374 5.493 -1.857 1.00 0.00 C ATOM 0 H ILE A 17 -5.303 2.537 -0.318 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.796 3.280 -1.677 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.899 4.678 0.067 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.549 5.039 -2.924 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -5.399 3.624 -2.336 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.978 6.793 -0.855 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.745 5.909 0.077 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.714 5.870 -1.702 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.985 5.485 -2.760 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.948 5.080 -1.027 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.084 6.518 -1.624 1.00 0.00 H new ATOM 258 N VAL A 18 -2.875 3.157 1.599 1.00 0.00 N ATOM 259 CA VAL A 18 -1.975 3.170 2.797 1.00 0.00 C ATOM 260 C VAL A 18 -1.086 1.911 2.823 1.00 0.00 C ATOM 261 O VAL A 18 -0.224 1.769 3.670 1.00 0.00 O ATOM 262 CB VAL A 18 -2.933 3.206 3.995 1.00 0.00 C ATOM 263 CG1 VAL A 18 -2.172 2.972 5.302 1.00 0.00 C ATOM 264 CG2 VAL A 18 -3.612 4.576 4.056 1.00 0.00 C ATOM 0 H VAL A 18 -3.848 2.921 1.796 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.290 4.018 2.799 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.676 2.418 3.871 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.869 3.001 6.139 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.685 1.998 5.270 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.419 3.750 5.429 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.294 4.607 4.906 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.855 5.352 4.170 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.171 4.746 3.136 1.00 0.00 H new ATOM 274 N ASP A 19 -1.280 1.008 1.895 1.00 0.00 N ATOM 275 CA ASP A 19 -0.441 -0.228 1.849 1.00 0.00 C ATOM 276 C ASP A 19 0.305 -0.327 0.502 1.00 0.00 C ATOM 277 O ASP A 19 0.968 -1.310 0.229 1.00 0.00 O ATOM 278 CB ASP A 19 -1.437 -1.383 2.001 1.00 0.00 C ATOM 279 CG ASP A 19 -0.697 -2.646 2.446 1.00 0.00 C ATOM 280 OD1 ASP A 19 -0.316 -2.709 3.604 1.00 0.00 O ATOM 281 OD2 ASP A 19 -0.527 -3.528 1.622 1.00 0.00 O ATOM 0 H ASP A 19 -1.988 1.074 1.163 1.00 0.00 H new ATOM 0 HA ASP A 19 0.322 -0.238 2.628 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.203 -1.122 2.731 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.947 -1.563 1.055 1.00 0.00 H new ATOM 286 N VAL A 20 0.209 0.679 -0.341 1.00 0.00 N ATOM 287 CA VAL A 20 0.917 0.622 -1.661 1.00 0.00 C ATOM 288 C VAL A 20 2.190 1.479 -1.636 1.00 0.00 C ATOM 289 O VAL A 20 3.162 1.176 -2.301 1.00 0.00 O ATOM 290 CB VAL A 20 -0.090 1.159 -2.693 1.00 0.00 C ATOM 291 CG1 VAL A 20 -0.206 2.685 -2.594 1.00 0.00 C ATOM 292 CG2 VAL A 20 0.383 0.784 -4.099 1.00 0.00 C ATOM 0 H VAL A 20 -0.326 1.531 -0.172 1.00 0.00 H new ATOM 0 HA VAL A 20 1.236 -0.392 -1.904 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.066 0.718 -2.491 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.923 3.044 -3.332 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.545 2.960 -1.595 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.768 3.137 -2.784 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.327 1.162 -4.835 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.364 1.223 -4.282 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.450 -0.301 -4.183 1.00 0.00 H new ATOM 302 N GLN A 21 2.192 2.541 -0.877 1.00 0.00 N ATOM 303 CA GLN A 21 3.400 3.416 -0.806 1.00 0.00 C ATOM 304 C GLN A 21 4.249 3.068 0.426 1.00 0.00 C ATOM 305 O GLN A 21 5.200 3.756 0.743 1.00 0.00 O ATOM 306 CB GLN A 21 2.849 4.841 -0.690 1.00 0.00 C ATOM 307 CG GLN A 21 3.095 5.595 -1.998 1.00 0.00 C ATOM 308 CD GLN A 21 4.539 6.100 -2.029 1.00 0.00 C ATOM 309 OE1 GLN A 21 5.367 5.562 -2.737 1.00 0.00 O ATOM 310 NE2 GLN A 21 4.880 7.116 -1.284 1.00 0.00 N ATOM 0 H GLN A 21 1.406 2.842 -0.300 1.00 0.00 H new ATOM 0 HA GLN A 21 4.045 3.293 -1.676 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.782 4.812 -0.470 1.00 0.00 H new ATOM 0 HB3 GLN A 21 3.331 5.362 0.138 1.00 0.00 H new ATOM 0 HG2 GLN A 21 2.909 4.940 -2.849 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.403 6.433 -2.083 1.00 0.00 H new ATOM 0 HE21 GLN A 21 4.186 7.568 -0.689 1.00 0.00 H new ATOM 0 HE22 GLN A 21 5.841 7.458 -1.296 1.00 0.00 H new ATOM 319 N TYR A 22 3.903 2.018 1.127 1.00 0.00 N ATOM 320 CA TYR A 22 4.676 1.632 2.348 1.00 0.00 C ATOM 321 C TYR A 22 4.967 0.131 2.309 1.00 0.00 C ATOM 322 O TYR A 22 6.092 -0.294 2.482 1.00 0.00 O ATOM 323 CB TYR A 22 3.763 1.992 3.534 1.00 0.00 C ATOM 324 CG TYR A 22 3.073 3.314 3.258 1.00 0.00 C ATOM 325 CD1 TYR A 22 3.670 4.516 3.648 1.00 0.00 C ATOM 326 CD2 TYR A 22 1.843 3.329 2.588 1.00 0.00 C ATOM 327 CE1 TYR A 22 3.036 5.734 3.369 1.00 0.00 C ATOM 328 CE2 TYR A 22 1.209 4.543 2.311 1.00 0.00 C ATOM 329 CZ TYR A 22 1.806 5.746 2.702 1.00 0.00 C ATOM 330 OH TYR A 22 1.182 6.945 2.423 1.00 0.00 O ATOM 0 H TYR A 22 3.115 1.409 0.906 1.00 0.00 H new ATOM 0 HA TYR A 22 5.636 2.143 2.422 1.00 0.00 H new ATOM 0 HB2 TYR A 22 3.022 1.208 3.687 1.00 0.00 H new ATOM 0 HB3 TYR A 22 4.349 2.060 4.450 1.00 0.00 H new ATOM 0 HD1 TYR A 22 4.619 4.506 4.164 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.383 2.400 2.285 1.00 0.00 H new ATOM 0 HE1 TYR A 22 3.497 6.664 3.669 1.00 0.00 H new ATOM 0 HE2 TYR A 22 0.260 4.552 1.796 1.00 0.00 H new ATOM 0 HH TYR A 22 0.338 6.774 1.955 1.00 0.00 H new ATOM 340 N MET A 23 3.963 -0.672 2.055 1.00 0.00 N ATOM 341 CA MET A 23 4.182 -2.148 1.974 1.00 0.00 C ATOM 342 C MET A 23 4.910 -2.488 0.667 1.00 0.00 C ATOM 343 O MET A 23 5.689 -3.421 0.608 1.00 0.00 O ATOM 344 CB MET A 23 2.781 -2.770 1.989 1.00 0.00 C ATOM 345 CG MET A 23 2.684 -3.783 3.131 1.00 0.00 C ATOM 346 SD MET A 23 3.546 -5.306 2.666 1.00 0.00 S ATOM 347 CE MET A 23 2.614 -6.430 3.733 1.00 0.00 C ATOM 0 H MET A 23 3.002 -0.368 1.900 1.00 0.00 H new ATOM 0 HA MET A 23 4.793 -2.524 2.795 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.028 -1.992 2.114 1.00 0.00 H new ATOM 0 HB3 MET A 23 2.579 -3.260 1.036 1.00 0.00 H new ATOM 0 HG2 MET A 23 3.123 -3.367 4.038 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.639 -3.998 3.352 1.00 0.00 H new ATOM 0 HE1 MET A 23 2.987 -7.446 3.605 1.00 0.00 H new ATOM 0 HE2 MET A 23 2.735 -6.128 4.773 1.00 0.00 H new ATOM 0 HE3 MET A 23 1.558 -6.394 3.465 1.00 0.00 H new ATOM 357 N TYR A 24 4.672 -1.728 -0.378 1.00 0.00 N ATOM 358 CA TYR A 24 5.358 -1.998 -1.680 1.00 0.00 C ATOM 359 C TYR A 24 6.742 -1.324 -1.724 1.00 0.00 C ATOM 360 O TYR A 24 7.419 -1.363 -2.733 1.00 0.00 O ATOM 361 CB TYR A 24 4.438 -1.399 -2.748 1.00 0.00 C ATOM 362 CG TYR A 24 4.047 -2.464 -3.744 1.00 0.00 C ATOM 363 CD1 TYR A 24 5.008 -3.005 -4.608 1.00 0.00 C ATOM 364 CD2 TYR A 24 2.721 -2.909 -3.807 1.00 0.00 C ATOM 365 CE1 TYR A 24 4.642 -3.991 -5.531 1.00 0.00 C ATOM 366 CE2 TYR A 24 2.355 -3.893 -4.731 1.00 0.00 C ATOM 367 CZ TYR A 24 3.317 -4.435 -5.593 1.00 0.00 C ATOM 368 OH TYR A 24 2.955 -5.405 -6.504 1.00 0.00 O ATOM 0 H TYR A 24 4.032 -0.933 -0.383 1.00 0.00 H new ATOM 0 HA TYR A 24 5.527 -3.064 -1.832 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.547 -0.981 -2.280 1.00 0.00 H new ATOM 0 HB3 TYR A 24 4.944 -0.579 -3.258 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.031 -2.661 -4.562 1.00 0.00 H new ATOM 0 HD2 TYR A 24 1.980 -2.492 -3.141 1.00 0.00 H new ATOM 0 HE1 TYR A 24 5.383 -4.409 -6.196 1.00 0.00 H new ATOM 0 HE2 TYR A 24 1.332 -4.235 -4.780 1.00 0.00 H new ATOM 0 HH TYR A 24 1.999 -5.598 -6.413 1.00 0.00 H new ATOM 378 N GLY A 25 7.168 -0.714 -0.643 1.00 0.00 N ATOM 379 CA GLY A 25 8.505 -0.049 -0.627 1.00 0.00 C ATOM 380 C GLY A 25 9.592 -1.080 -0.301 1.00 0.00 C ATOM 381 O GLY A 25 10.682 -1.025 -0.837 1.00 0.00 O ATOM 0 H GLY A 25 6.644 -0.649 0.230 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.705 0.410 -1.595 1.00 0.00 H new ATOM 0 HA3 GLY A 25 8.515 0.751 0.114 1.00 0.00 H new ATOM 385 N LEU A 26 9.297 -2.018 0.575 1.00 0.00 N ATOM 386 CA LEU A 26 10.299 -3.073 0.954 1.00 0.00 C ATOM 387 C LEU A 26 11.596 -2.442 1.494 1.00 0.00 C ATOM 388 O LEU A 26 12.679 -2.962 1.294 1.00 0.00 O ATOM 389 CB LEU A 26 10.569 -3.864 -0.333 1.00 0.00 C ATOM 390 CG LEU A 26 9.544 -4.994 -0.466 1.00 0.00 C ATOM 391 CD1 LEU A 26 8.493 -4.614 -1.512 1.00 0.00 C ATOM 392 CD2 LEU A 26 10.255 -6.279 -0.902 1.00 0.00 C ATOM 0 H LEU A 26 8.397 -2.098 1.047 1.00 0.00 H new ATOM 0 HA LEU A 26 9.921 -3.714 1.750 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.510 -3.203 -1.197 1.00 0.00 H new ATOM 0 HB3 LEU A 26 11.578 -4.275 -0.314 1.00 0.00 H new ATOM 0 HG LEU A 26 9.056 -5.155 0.496 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.765 -5.419 -1.605 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.986 -3.700 -1.203 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.979 -4.452 -2.474 1.00 0.00 H new ATOM 0 HD21 LEU A 26 9.526 -7.084 -0.997 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.743 -6.117 -1.863 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.002 -6.552 -0.157 1.00 0.00 H new ATOM 404 N SER A 27 11.493 -1.333 2.184 1.00 0.00 N ATOM 405 CA SER A 27 12.714 -0.672 2.743 1.00 0.00 C ATOM 406 C SER A 27 12.886 -1.024 4.233 1.00 0.00 C ATOM 407 O SER A 27 13.851 -1.667 4.592 1.00 0.00 O ATOM 408 CB SER A 27 12.497 0.830 2.547 1.00 0.00 C ATOM 409 OG SER A 27 13.273 1.274 1.444 1.00 0.00 O ATOM 0 H SER A 27 10.614 -0.856 2.385 1.00 0.00 H new ATOM 0 HA SER A 27 13.623 -1.007 2.243 1.00 0.00 H new ATOM 0 HB2 SER A 27 11.441 1.037 2.371 1.00 0.00 H new ATOM 0 HB3 SER A 27 12.782 1.371 3.449 1.00 0.00 H new ATOM 0 HG SER A 27 13.136 2.236 1.313 1.00 0.00 H new ATOM 415 N PRO A 28 11.946 -0.605 5.062 1.00 0.00 N ATOM 416 CA PRO A 28 12.037 -0.908 6.517 1.00 0.00 C ATOM 417 C PRO A 28 11.867 -2.410 6.774 1.00 0.00 C ATOM 418 O PRO A 28 12.347 -2.933 7.759 1.00 0.00 O ATOM 419 CB PRO A 28 10.891 -0.104 7.129 1.00 0.00 C ATOM 420 CG PRO A 28 9.918 0.084 6.011 1.00 0.00 C ATOM 421 CD PRO A 28 10.729 0.164 4.747 1.00 0.00 C ATOM 0 HA PRO A 28 13.004 -0.646 6.946 1.00 0.00 H new ATOM 0 HB2 PRO A 28 10.436 -0.636 7.964 1.00 0.00 H new ATOM 0 HB3 PRO A 28 11.241 0.854 7.514 1.00 0.00 H new ATOM 0 HG2 PRO A 28 9.213 -0.746 5.967 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.333 0.992 6.155 1.00 0.00 H new ATOM 0 HD2 PRO A 28 10.193 -0.264 3.900 1.00 0.00 H new ATOM 0 HD3 PRO A 28 10.964 1.196 4.487 1.00 0.00 H new ATOM 429 N ALA A 29 11.201 -3.108 5.887 1.00 0.00 N ATOM 430 CA ALA A 29 11.013 -4.580 6.070 1.00 0.00 C ATOM 431 C ALA A 29 12.364 -5.305 5.982 1.00 0.00 C ATOM 432 O ALA A 29 12.576 -6.311 6.630 1.00 0.00 O ATOM 433 CB ALA A 29 10.095 -5.014 4.924 1.00 0.00 C ATOM 0 H ALA A 29 10.779 -2.721 5.043 1.00 0.00 H new ATOM 0 HA ALA A 29 10.587 -4.820 7.044 1.00 0.00 H new ATOM 0 HB1 ALA A 29 9.911 -6.086 4.991 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.148 -4.478 4.993 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.571 -4.787 3.970 1.00 0.00 H new ATOM 439 N ILE A 30 13.277 -4.796 5.186 1.00 0.00 N ATOM 440 CA ILE A 30 14.618 -5.446 5.057 1.00 0.00 C ATOM 441 C ILE A 30 15.646 -4.707 5.924 1.00 0.00 C ATOM 442 O ILE A 30 16.461 -5.317 6.592 1.00 0.00 O ATOM 443 CB ILE A 30 14.978 -5.335 3.567 1.00 0.00 C ATOM 444 CG1 ILE A 30 13.982 -6.153 2.736 1.00 0.00 C ATOM 445 CG2 ILE A 30 16.393 -5.873 3.331 1.00 0.00 C ATOM 446 CD1 ILE A 30 14.194 -5.863 1.249 1.00 0.00 C ATOM 0 H ILE A 30 13.149 -3.957 4.620 1.00 0.00 H new ATOM 0 HA ILE A 30 14.610 -6.484 5.391 1.00 0.00 H new ATOM 0 HB ILE A 30 14.934 -4.288 3.268 1.00 0.00 H new ATOM 0 HG12 ILE A 30 14.117 -7.217 2.932 1.00 0.00 H new ATOM 0 HG13 ILE A 30 12.961 -5.903 3.024 1.00 0.00 H new ATOM 0 HG21 ILE A 30 16.642 -5.791 2.273 1.00 0.00 H new ATOM 0 HG22 ILE A 30 17.105 -5.292 3.917 1.00 0.00 H new ATOM 0 HG23 ILE A 30 16.440 -6.919 3.635 1.00 0.00 H new ATOM 0 HD11 ILE A 30 13.485 -6.445 0.660 1.00 0.00 H new ATOM 0 HD12 ILE A 30 14.037 -4.801 1.059 1.00 0.00 H new ATOM 0 HD13 ILE A 30 15.211 -6.136 0.966 1.00 0.00 H new ATOM 458 N THR A 31 15.606 -3.398 5.915 1.00 0.00 N ATOM 459 CA THR A 31 16.574 -2.598 6.734 1.00 0.00 C ATOM 460 C THR A 31 16.363 -2.863 8.232 1.00 0.00 C ATOM 461 O THR A 31 17.311 -2.946 8.990 1.00 0.00 O ATOM 462 CB THR A 31 16.274 -1.131 6.394 1.00 0.00 C ATOM 463 OG1 THR A 31 16.384 -0.930 4.988 1.00 0.00 O ATOM 464 CG2 THR A 31 17.270 -0.220 7.118 1.00 0.00 C ATOM 0 H THR A 31 14.942 -2.845 5.374 1.00 0.00 H new ATOM 0 HA THR A 31 17.609 -2.862 6.514 1.00 0.00 H new ATOM 0 HB THR A 31 15.261 -0.890 6.716 1.00 0.00 H new ATOM 0 HG1 THR A 31 15.517 -1.099 4.565 1.00 0.00 H new ATOM 0 HG21 THR A 31 17.055 0.820 6.875 1.00 0.00 H new ATOM 0 HG22 THR A 31 17.181 -0.367 8.194 1.00 0.00 H new ATOM 0 HG23 THR A 31 18.284 -0.464 6.801 1.00 0.00 H new ATOM 472 N LYS A 32 15.131 -3.007 8.664 1.00 0.00 N ATOM 473 CA LYS A 32 14.869 -3.277 10.114 1.00 0.00 C ATOM 474 C LYS A 32 14.869 -4.792 10.394 1.00 0.00 C ATOM 475 O LYS A 32 14.415 -5.235 11.432 1.00 0.00 O ATOM 476 CB LYS A 32 13.486 -2.677 10.389 1.00 0.00 C ATOM 477 CG LYS A 32 13.443 -2.102 11.807 1.00 0.00 C ATOM 478 CD LYS A 32 12.277 -1.117 11.922 1.00 0.00 C ATOM 479 CE LYS A 32 11.955 -0.868 13.400 1.00 0.00 C ATOM 480 NZ LYS A 32 10.490 -0.598 13.441 1.00 0.00 N ATOM 0 H LYS A 32 14.299 -2.949 8.077 1.00 0.00 H new ATOM 0 HA LYS A 32 15.637 -2.843 10.754 1.00 0.00 H new ATOM 0 HB2 LYS A 32 13.268 -1.894 9.663 1.00 0.00 H new ATOM 0 HB3 LYS A 32 12.718 -3.442 10.273 1.00 0.00 H new ATOM 0 HG2 LYS A 32 13.327 -2.906 12.534 1.00 0.00 H new ATOM 0 HG3 LYS A 32 14.382 -1.599 12.036 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.532 -0.177 11.432 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.400 -1.515 11.411 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.213 -1.733 14.010 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.522 -0.023 13.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.197 -0.418 14.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.274 0.235 12.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.975 -1.422 13.072 1.00 0.00 H new ATOM 494 N TYR A 33 15.379 -5.584 9.480 1.00 0.00 N ATOM 495 CA TYR A 33 15.414 -7.061 9.693 1.00 0.00 C ATOM 496 C TYR A 33 16.847 -7.514 9.993 1.00 0.00 C ATOM 497 O TYR A 33 17.079 -8.305 10.888 1.00 0.00 O ATOM 498 CB TYR A 33 14.924 -7.663 8.373 1.00 0.00 C ATOM 499 CG TYR A 33 14.328 -9.026 8.629 1.00 0.00 C ATOM 500 CD1 TYR A 33 13.002 -9.140 9.063 1.00 0.00 C ATOM 501 CD2 TYR A 33 15.101 -10.176 8.432 1.00 0.00 C ATOM 502 CE1 TYR A 33 12.449 -10.402 9.301 1.00 0.00 C ATOM 503 CE2 TYR A 33 14.548 -11.440 8.670 1.00 0.00 C ATOM 504 CZ TYR A 33 13.222 -11.552 9.104 1.00 0.00 C ATOM 505 OH TYR A 33 12.677 -12.799 9.338 1.00 0.00 O ATOM 0 H TYR A 33 15.773 -5.267 8.594 1.00 0.00 H new ATOM 0 HA TYR A 33 14.798 -7.374 10.536 1.00 0.00 H new ATOM 0 HB2 TYR A 33 14.180 -7.009 7.917 1.00 0.00 H new ATOM 0 HB3 TYR A 33 15.752 -7.743 7.669 1.00 0.00 H new ATOM 0 HD1 TYR A 33 12.406 -8.252 9.214 1.00 0.00 H new ATOM 0 HD2 TYR A 33 16.124 -10.088 8.096 1.00 0.00 H new ATOM 0 HE1 TYR A 33 11.426 -10.489 9.637 1.00 0.00 H new ATOM 0 HE2 TYR A 33 15.144 -12.328 8.519 1.00 0.00 H new ATOM 0 HH TYR A 33 13.347 -13.489 9.152 1.00 0.00 H new ATOM 515 N VAL A 34 17.810 -7.016 9.255 1.00 0.00 N ATOM 516 CA VAL A 34 19.232 -7.413 9.498 1.00 0.00 C ATOM 517 C VAL A 34 19.826 -6.552 10.624 1.00 0.00 C ATOM 518 O VAL A 34 20.709 -5.742 10.407 1.00 0.00 O ATOM 519 CB VAL A 34 19.961 -7.163 8.170 1.00 0.00 C ATOM 520 CG1 VAL A 34 21.386 -7.718 8.252 1.00 0.00 C ATOM 521 CG2 VAL A 34 19.215 -7.865 7.028 1.00 0.00 C ATOM 0 H VAL A 34 17.672 -6.351 8.494 1.00 0.00 H new ATOM 0 HA VAL A 34 19.326 -8.454 9.808 1.00 0.00 H new ATOM 0 HB VAL A 34 19.994 -6.090 7.980 1.00 0.00 H new ATOM 0 HG11 VAL A 34 21.901 -7.539 7.308 1.00 0.00 H new ATOM 0 HG12 VAL A 34 21.924 -7.221 9.059 1.00 0.00 H new ATOM 0 HG13 VAL A 34 21.348 -8.790 8.447 1.00 0.00 H new ATOM 0 HG21 VAL A 34 19.736 -7.685 6.088 1.00 0.00 H new ATOM 0 HG22 VAL A 34 19.178 -8.937 7.222 1.00 0.00 H new ATOM 0 HG23 VAL A 34 18.200 -7.473 6.961 1.00 0.00 H new ATOM 531 N VAL A 35 19.338 -6.725 11.828 1.00 0.00 N ATOM 532 CA VAL A 35 19.858 -5.926 12.981 1.00 0.00 C ATOM 533 C VAL A 35 20.254 -6.870 14.126 1.00 0.00 C ATOM 534 O VAL A 35 19.724 -6.799 15.221 1.00 0.00 O ATOM 535 CB VAL A 35 18.696 -5.010 13.395 1.00 0.00 C ATOM 536 CG1 VAL A 35 19.177 -4.016 14.456 1.00 0.00 C ATOM 537 CG2 VAL A 35 18.184 -4.233 12.175 1.00 0.00 C ATOM 0 H VAL A 35 18.599 -7.388 12.063 1.00 0.00 H new ATOM 0 HA VAL A 35 20.745 -5.347 12.725 1.00 0.00 H new ATOM 0 HB VAL A 35 17.890 -5.622 13.801 1.00 0.00 H new ATOM 0 HG11 VAL A 35 18.351 -3.367 14.748 1.00 0.00 H new ATOM 0 HG12 VAL A 35 19.536 -4.561 15.329 1.00 0.00 H new ATOM 0 HG13 VAL A 35 19.986 -3.411 14.047 1.00 0.00 H new ATOM 0 HG21 VAL A 35 17.360 -3.586 12.475 1.00 0.00 H new ATOM 0 HG22 VAL A 35 18.991 -3.626 11.765 1.00 0.00 H new ATOM 0 HG23 VAL A 35 17.836 -4.934 11.417 1.00 0.00 H new ATOM 547 N ARG A 36 21.183 -7.759 13.875 1.00 0.00 N ATOM 548 CA ARG A 36 21.621 -8.715 14.935 1.00 0.00 C ATOM 549 C ARG A 36 23.132 -8.599 15.171 1.00 0.00 C ATOM 550 O ARG A 36 23.528 -8.576 16.325 1.00 0.00 O ATOM 551 CB ARG A 36 21.260 -10.103 14.393 1.00 0.00 C ATOM 552 CG ARG A 36 21.390 -11.146 15.508 1.00 0.00 C ATOM 553 CD ARG A 36 20.073 -11.240 16.288 1.00 0.00 C ATOM 554 NE ARG A 36 20.120 -10.123 17.276 1.00 0.00 N ATOM 555 CZ ARG A 36 20.775 -10.264 18.397 1.00 0.00 C ATOM 556 NH1 ARG A 36 20.202 -10.845 19.420 1.00 0.00 N ATOM 557 NH2 ARG A 36 22.003 -9.823 18.497 1.00 0.00 N ATOM 558 OXT ARG A 36 23.866 -8.537 14.197 1.00 0.00 O ATOM 0 H ARG A 36 21.658 -7.863 12.978 1.00 0.00 H new ATOM 0 HA ARG A 36 21.140 -8.516 15.893 1.00 0.00 H new ATOM 0 HB2 ARG A 36 20.242 -10.098 14.004 1.00 0.00 H new ATOM 0 HB3 ARG A 36 21.917 -10.361 13.563 1.00 0.00 H new ATOM 0 HG2 ARG A 36 21.641 -12.117 15.082 1.00 0.00 H new ATOM 0 HG3 ARG A 36 22.203 -10.873 16.181 1.00 0.00 H new ATOM 0 HD2 ARG A 36 19.215 -11.142 15.624 1.00 0.00 H new ATOM 0 HD3 ARG A 36 19.980 -12.204 16.788 1.00 0.00 H new ATOM 0 HE ARG A 36 19.639 -9.246 17.075 1.00 0.00 H new ATOM 0 HH11 ARG A 36 19.244 -11.187 19.342 1.00 0.00 H new ATOM 0 HH12 ARG A 36 20.713 -10.955 20.296 1.00 0.00 H new ATOM 0 HH21 ARG A 36 22.448 -9.369 17.699 1.00 0.00 H new ATOM 0 HH22 ARG A 36 22.515 -9.933 19.372 1.00 0.00 H new TER 572 ARG A 36