USER MOD reduce.3.24.130724 H: found=0, std=0, add=293, rem=0, adj=9 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+ 180:sc= 0 (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 : no HD1:sc= -0.058 X(o=-0.058,f=-0.19) USER MOD Single : A 14 HIS : no HD1:sc= -1.85 K(o=-1.8,f=-2.7!) USER MOD Single : A 15 GLN : amide:sc= -0.213 X(o=-0.21,f=-0.22) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc= -1.85 K(o=-1.8,f=-2.4!) USER MOD Single : A 22 TYR OH : rot 30:sc= 0 USER MOD Single : A 23 MET CE :methyl -174:sc= 0 (180deg=-0.0167) 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 140:sc= -0.889 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 -27.276 -2.056 13.498 1.00 0.00 N ATOM 2 CA SER A 1 -27.738 -3.249 12.726 1.00 0.00 C ATOM 3 C SER A 1 -28.335 -2.807 11.384 1.00 0.00 C ATOM 4 O SER A 1 -29.465 -2.360 11.314 1.00 0.00 O ATOM 5 CB SER A 1 -28.803 -3.913 13.605 1.00 0.00 C ATOM 6 OG SER A 1 -28.689 -5.327 13.496 1.00 0.00 O ATOM 0 H1 SER A 1 -26.873 -2.365 14.406 1.00 0.00 H new ATOM 0 H2 SER A 1 -26.551 -1.549 12.952 1.00 0.00 H new ATOM 0 H3 SER A 1 -28.082 -1.423 13.675 1.00 0.00 H new ATOM 0 HA SER A 1 -26.923 -3.936 12.499 1.00 0.00 H new ATOM 0 HB2 SER A 1 -28.677 -3.606 14.643 1.00 0.00 H new ATOM 0 HB3 SER A 1 -29.798 -3.592 13.296 1.00 0.00 H new ATOM 0 HG SER A 1 -29.368 -5.754 14.059 1.00 0.00 H new ATOM 11 N ASP A 2 -27.579 -2.925 10.320 1.00 0.00 N ATOM 12 CA ASP A 2 -28.091 -2.511 8.977 1.00 0.00 C ATOM 13 C ASP A 2 -27.435 -3.353 7.874 1.00 0.00 C ATOM 14 O ASP A 2 -26.230 -3.514 7.832 1.00 0.00 O ATOM 15 CB ASP A 2 -27.724 -1.022 8.823 1.00 0.00 C ATOM 16 CG ASP A 2 -26.323 -0.744 9.388 1.00 0.00 C ATOM 17 OD1 ASP A 2 -25.364 -0.924 8.657 1.00 0.00 O ATOM 18 OD2 ASP A 2 -26.236 -0.349 10.540 1.00 0.00 O ATOM 0 H ASP A 2 -26.627 -3.291 10.324 1.00 0.00 H new ATOM 0 HA ASP A 2 -29.167 -2.661 8.892 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -27.759 -0.741 7.770 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -28.459 -0.406 9.342 1.00 0.00 H new ATOM 23 N LEU A 3 -28.229 -3.897 6.984 1.00 0.00 N ATOM 24 CA LEU A 3 -27.667 -4.741 5.880 1.00 0.00 C ATOM 25 C LEU A 3 -27.054 -3.868 4.769 1.00 0.00 C ATOM 26 O LEU A 3 -25.916 -4.080 4.392 1.00 0.00 O ATOM 27 CB LEU A 3 -28.854 -5.551 5.339 1.00 0.00 C ATOM 28 CG LEU A 3 -28.682 -7.037 5.683 1.00 0.00 C ATOM 29 CD1 LEU A 3 -27.390 -7.570 5.057 1.00 0.00 C ATOM 30 CD2 LEU A 3 -28.622 -7.211 7.206 1.00 0.00 C ATOM 0 H LEU A 3 -29.244 -3.794 6.973 1.00 0.00 H new ATOM 0 HA LEU A 3 -26.865 -5.385 6.241 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -29.784 -5.177 5.766 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -28.927 -5.426 4.259 1.00 0.00 H new ATOM 0 HG LEU A 3 -29.531 -7.595 5.287 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -27.274 -8.625 5.305 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -27.436 -7.455 3.974 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -26.539 -7.010 5.446 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -28.500 -8.267 7.447 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -27.778 -6.648 7.604 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -29.546 -6.842 7.651 1.00 0.00 H new ATOM 42 N PRO A 4 -27.820 -2.915 4.269 1.00 0.00 N ATOM 43 CA PRO A 4 -27.315 -2.026 3.190 1.00 0.00 C ATOM 44 C PRO A 4 -26.378 -0.952 3.766 1.00 0.00 C ATOM 45 O PRO A 4 -26.664 0.231 3.718 1.00 0.00 O ATOM 46 CB PRO A 4 -28.586 -1.401 2.619 1.00 0.00 C ATOM 47 CG PRO A 4 -29.588 -1.453 3.729 1.00 0.00 C ATOM 48 CD PRO A 4 -29.199 -2.583 4.650 1.00 0.00 C ATOM 0 HA PRO A 4 -26.732 -2.555 2.436 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -28.409 -0.375 2.297 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -28.937 -1.952 1.747 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -29.607 -0.508 4.271 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -30.590 -1.612 3.331 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -29.259 -2.281 5.695 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -29.861 -3.440 4.527 1.00 0.00 H new ATOM 56 N ALA A 5 -25.262 -1.363 4.311 1.00 0.00 N ATOM 57 CA ALA A 5 -24.294 -0.380 4.894 1.00 0.00 C ATOM 58 C ALA A 5 -23.376 0.185 3.803 1.00 0.00 C ATOM 59 O ALA A 5 -23.001 1.343 3.840 1.00 0.00 O ATOM 60 CB ALA A 5 -23.478 -1.178 5.914 1.00 0.00 C ATOM 0 H ALA A 5 -24.977 -2.340 4.379 1.00 0.00 H new ATOM 0 HA ALA A 5 -24.803 0.469 5.350 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -22.745 -0.524 6.385 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -24.144 -1.584 6.675 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -22.963 -1.995 5.409 1.00 0.00 H new ATOM 66 N LEU A 6 -23.010 -0.627 2.834 1.00 0.00 N ATOM 67 CA LEU A 6 -22.110 -0.157 1.731 1.00 0.00 C ATOM 68 C LEU A 6 -20.792 0.390 2.307 1.00 0.00 C ATOM 69 O LEU A 6 -20.206 1.316 1.775 1.00 0.00 O ATOM 70 CB LEU A 6 -22.892 0.949 1.014 1.00 0.00 C ATOM 71 CG LEU A 6 -22.580 0.909 -0.485 1.00 0.00 C ATOM 72 CD1 LEU A 6 -23.748 0.265 -1.234 1.00 0.00 C ATOM 73 CD2 LEU A 6 -22.369 2.335 -1.000 1.00 0.00 C ATOM 0 H LEU A 6 -23.300 -1.602 2.762 1.00 0.00 H new ATOM 0 HA LEU A 6 -21.841 -0.965 1.051 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -23.962 0.816 1.177 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -22.625 1.922 1.426 1.00 0.00 H new ATOM 0 HG LEU A 6 -21.676 0.324 -0.651 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -23.525 0.237 -2.301 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -23.899 -0.751 -0.868 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -24.653 0.849 -1.068 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -22.147 2.307 -2.067 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -23.273 2.920 -0.833 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -21.536 2.795 -0.468 1.00 0.00 H new ATOM 85 N SER A 7 -20.323 -0.186 3.387 1.00 0.00 N ATOM 86 CA SER A 7 -19.046 0.288 4.003 1.00 0.00 C ATOM 87 C SER A 7 -17.886 -0.639 3.606 1.00 0.00 C ATOM 88 O SER A 7 -16.999 -0.912 4.394 1.00 0.00 O ATOM 89 CB SER A 7 -19.294 0.236 5.514 1.00 0.00 C ATOM 90 OG SER A 7 -18.981 1.499 6.086 1.00 0.00 O ATOM 0 H SER A 7 -20.771 -0.965 3.869 1.00 0.00 H new ATOM 0 HA SER A 7 -18.772 1.289 3.671 1.00 0.00 H new ATOM 0 HB2 SER A 7 -20.335 -0.019 5.715 1.00 0.00 H new ATOM 0 HB3 SER A 7 -18.682 -0.543 5.968 1.00 0.00 H new ATOM 0 HG SER A 7 -19.140 1.469 7.052 1.00 0.00 H new ATOM 96 N THR A 8 -17.885 -1.121 2.386 1.00 0.00 N ATOM 97 CA THR A 8 -16.785 -2.028 1.929 1.00 0.00 C ATOM 98 C THR A 8 -16.064 -1.432 0.707 1.00 0.00 C ATOM 99 O THR A 8 -15.307 -2.108 0.035 1.00 0.00 O ATOM 100 CB THR A 8 -17.481 -3.346 1.552 1.00 0.00 C ATOM 101 OG1 THR A 8 -18.533 -3.621 2.474 1.00 0.00 O ATOM 102 CG2 THR A 8 -16.467 -4.492 1.583 1.00 0.00 C ATOM 0 H THR A 8 -18.600 -0.925 1.686 1.00 0.00 H new ATOM 0 HA THR A 8 -16.029 -2.171 2.701 1.00 0.00 H new ATOM 0 HB THR A 8 -17.896 -3.253 0.548 1.00 0.00 H new ATOM 0 HG1 THR A 8 -18.973 -4.461 2.227 1.00 0.00 H new ATOM 0 HG21 THR A 8 -16.964 -5.425 1.315 1.00 0.00 H new ATOM 0 HG22 THR A 8 -15.667 -4.289 0.871 1.00 0.00 H new ATOM 0 HG23 THR A 8 -16.047 -4.579 2.585 1.00 0.00 H new ATOM 110 N GLY A 9 -16.290 -0.171 0.416 1.00 0.00 N ATOM 111 CA GLY A 9 -15.621 0.464 -0.757 1.00 0.00 C ATOM 112 C GLY A 9 -14.430 1.290 -0.272 1.00 0.00 C ATOM 113 O GLY A 9 -13.296 0.855 -0.346 1.00 0.00 O ATOM 0 H GLY A 9 -16.910 0.443 0.943 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -15.287 -0.301 -1.458 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -16.326 1.100 -1.292 1.00 0.00 H new ATOM 117 N LEU A 10 -14.680 2.475 0.232 1.00 0.00 N ATOM 118 CA LEU A 10 -13.561 3.336 0.733 1.00 0.00 C ATOM 119 C LEU A 10 -12.815 2.629 1.874 1.00 0.00 C ATOM 120 O LEU A 10 -11.614 2.758 2.005 1.00 0.00 O ATOM 121 CB LEU A 10 -14.231 4.618 1.241 1.00 0.00 C ATOM 122 CG LEU A 10 -13.353 5.827 0.901 1.00 0.00 C ATOM 123 CD1 LEU A 10 -14.229 7.073 0.760 1.00 0.00 C ATOM 124 CD2 LEU A 10 -12.331 6.049 2.020 1.00 0.00 C ATOM 0 H LEU A 10 -15.611 2.883 0.318 1.00 0.00 H new ATOM 0 HA LEU A 10 -12.827 3.545 -0.045 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -15.215 4.731 0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -14.383 4.558 2.319 1.00 0.00 H new ATOM 0 HG LEU A 10 -12.831 5.641 -0.038 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -13.603 7.932 0.518 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -14.956 6.918 -0.037 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -14.752 7.258 1.698 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -11.707 6.909 1.777 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -12.854 6.233 2.959 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -11.704 5.163 2.121 1.00 0.00 H new ATOM 136 N LEU A 11 -13.519 1.879 2.690 1.00 0.00 N ATOM 137 CA LEU A 11 -12.853 1.151 3.819 1.00 0.00 C ATOM 138 C LEU A 11 -11.734 0.250 3.280 1.00 0.00 C ATOM 139 O LEU A 11 -10.639 0.222 3.811 1.00 0.00 O ATOM 140 CB LEU A 11 -13.964 0.309 4.458 1.00 0.00 C ATOM 141 CG LEU A 11 -13.537 -0.137 5.860 1.00 0.00 C ATOM 142 CD1 LEU A 11 -14.781 -0.367 6.721 1.00 0.00 C ATOM 143 CD2 LEU A 11 -12.739 -1.441 5.764 1.00 0.00 C ATOM 0 H LEU A 11 -14.527 1.739 2.623 1.00 0.00 H new ATOM 0 HA LEU A 11 -12.394 1.831 4.537 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -14.885 0.889 4.516 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -14.175 -0.562 3.838 1.00 0.00 H new ATOM 0 HG LEU A 11 -12.916 0.636 6.312 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -14.479 -0.684 7.719 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -15.351 0.559 6.792 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -15.400 -1.140 6.266 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -12.436 -1.757 6.762 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.359 -2.215 5.311 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.853 -1.281 5.150 1.00 0.00 H new ATOM 155 N HIS A 12 -12.000 -0.478 2.222 1.00 0.00 N ATOM 156 CA HIS A 12 -10.952 -1.371 1.637 1.00 0.00 C ATOM 157 C HIS A 12 -10.015 -0.559 0.734 1.00 0.00 C ATOM 158 O HIS A 12 -8.811 -0.731 0.767 1.00 0.00 O ATOM 159 CB HIS A 12 -11.720 -2.414 0.817 1.00 0.00 C ATOM 160 CG HIS A 12 -12.248 -3.486 1.731 1.00 0.00 C ATOM 161 ND1 HIS A 12 -11.646 -4.731 1.839 1.00 0.00 N ATOM 162 CD2 HIS A 12 -13.324 -3.516 2.584 1.00 0.00 C ATOM 163 CE1 HIS A 12 -12.356 -5.450 2.729 1.00 0.00 C ATOM 164 NE2 HIS A 12 -13.390 -4.755 3.213 1.00 0.00 N ATOM 0 H HIS A 12 -12.898 -0.492 1.739 1.00 0.00 H new ATOM 0 HA HIS A 12 -10.334 -1.838 2.404 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -12.543 -1.938 0.284 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -11.065 -2.854 0.064 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -14.015 -2.701 2.742 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -12.119 -6.464 3.016 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -14.080 -5.066 3.897 1.00 0.00 H new ATOM 172 N LEU A 13 -10.563 0.327 -0.066 1.00 0.00 N ATOM 173 CA LEU A 13 -9.712 1.162 -0.975 1.00 0.00 C ATOM 174 C LEU A 13 -8.674 1.950 -0.165 1.00 0.00 C ATOM 175 O LEU A 13 -7.548 2.117 -0.592 1.00 0.00 O ATOM 176 CB LEU A 13 -10.686 2.114 -1.677 1.00 0.00 C ATOM 177 CG LEU A 13 -10.034 2.671 -2.947 1.00 0.00 C ATOM 178 CD1 LEU A 13 -10.200 1.670 -4.093 1.00 0.00 C ATOM 179 CD2 LEU A 13 -10.705 3.993 -3.325 1.00 0.00 C ATOM 0 H LEU A 13 -11.565 0.508 -0.128 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.156 0.553 -1.688 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -11.607 1.588 -1.929 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -10.959 2.930 -1.008 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.972 2.838 -2.765 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.735 2.069 -4.995 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.722 0.728 -3.825 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -11.261 1.500 -4.276 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.242 4.391 -4.228 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -11.767 3.824 -3.505 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.585 4.708 -2.511 1.00 0.00 H new ATOM 191 N HIS A 14 -9.042 2.426 1.003 1.00 0.00 N ATOM 192 CA HIS A 14 -8.071 3.193 1.850 1.00 0.00 C ATOM 193 C HIS A 14 -6.826 2.335 2.121 1.00 0.00 C ATOM 194 O HIS A 14 -5.709 2.789 1.968 1.00 0.00 O ATOM 195 CB HIS A 14 -8.832 3.498 3.154 1.00 0.00 C ATOM 196 CG HIS A 14 -7.870 3.614 4.311 1.00 0.00 C ATOM 197 ND1 HIS A 14 -7.819 2.667 5.323 1.00 0.00 N ATOM 198 CD2 HIS A 14 -6.919 4.553 4.629 1.00 0.00 C ATOM 199 CE1 HIS A 14 -6.868 3.055 6.193 1.00 0.00 C ATOM 200 NE2 HIS A 14 -6.288 4.198 5.817 1.00 0.00 N ATOM 0 H HIS A 14 -9.973 2.316 1.406 1.00 0.00 H new ATOM 0 HA HIS A 14 -7.724 4.108 1.369 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -9.394 4.426 3.046 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -9.556 2.708 3.353 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -6.695 5.434 4.045 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -6.606 2.508 7.087 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -5.543 4.702 6.298 1.00 0.00 H new ATOM 208 N GLN A 15 -7.018 1.097 2.510 1.00 0.00 N ATOM 209 CA GLN A 15 -5.852 0.198 2.785 1.00 0.00 C ATOM 210 C GLN A 15 -4.984 0.047 1.528 1.00 0.00 C ATOM 211 O GLN A 15 -3.776 -0.050 1.612 1.00 0.00 O ATOM 212 CB GLN A 15 -6.465 -1.150 3.183 1.00 0.00 C ATOM 213 CG GLN A 15 -5.673 -1.753 4.348 1.00 0.00 C ATOM 214 CD GLN A 15 -5.795 -0.852 5.581 1.00 0.00 C ATOM 215 OE1 GLN A 15 -6.886 -0.567 6.035 1.00 0.00 O ATOM 216 NE2 GLN A 15 -4.713 -0.384 6.145 1.00 0.00 N ATOM 0 H GLN A 15 -7.934 0.670 2.649 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.206 0.596 3.568 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.508 -1.016 3.470 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -6.454 -1.831 2.332 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.048 -2.751 4.577 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -4.625 -1.863 4.069 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -3.796 -0.622 5.766 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -4.785 0.219 6.964 1.00 0.00 H new ATOM 225 N ASN A 16 -5.592 0.036 0.367 1.00 0.00 N ATOM 226 CA ASN A 16 -4.804 -0.098 -0.898 1.00 0.00 C ATOM 227 C ASN A 16 -3.990 1.179 -1.160 1.00 0.00 C ATOM 228 O ASN A 16 -2.888 1.125 -1.670 1.00 0.00 O ATOM 229 CB ASN A 16 -5.849 -0.308 -1.999 1.00 0.00 C ATOM 230 CG ASN A 16 -5.150 -0.470 -3.352 1.00 0.00 C ATOM 231 OD1 ASN A 16 -4.658 -1.534 -3.670 1.00 0.00 O ATOM 232 ND2 ASN A 16 -5.085 0.548 -4.168 1.00 0.00 N ATOM 0 H ASN A 16 -6.601 0.114 0.241 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.091 -0.921 -0.852 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.448 -1.192 -1.781 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -6.532 0.541 -2.031 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -4.621 0.449 -5.071 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -5.498 1.442 -3.902 1.00 0.00 H new ATOM 239 N ILE A 17 -4.525 2.327 -0.815 1.00 0.00 N ATOM 240 CA ILE A 17 -3.782 3.610 -1.043 1.00 0.00 C ATOM 241 C ILE A 17 -2.775 3.870 0.092 1.00 0.00 C ATOM 242 O ILE A 17 -1.883 4.686 -0.041 1.00 0.00 O ATOM 243 CB ILE A 17 -4.864 4.698 -1.066 1.00 0.00 C ATOM 244 CG1 ILE A 17 -5.794 4.475 -2.267 1.00 0.00 C ATOM 245 CG2 ILE A 17 -4.211 6.079 -1.186 1.00 0.00 C ATOM 246 CD1 ILE A 17 -7.170 5.071 -1.965 1.00 0.00 C ATOM 0 H ILE A 17 -5.444 2.432 -0.385 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.205 3.586 -1.967 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.439 4.647 -0.141 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -5.372 4.940 -3.158 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -5.886 3.409 -2.476 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.984 6.847 -1.202 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.552 6.245 -0.334 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.632 6.129 -2.108 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -7.830 4.913 -2.818 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.591 4.586 -1.085 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -7.070 6.140 -1.777 1.00 0.00 H new ATOM 258 N VAL A 18 -2.909 3.187 1.203 1.00 0.00 N ATOM 259 CA VAL A 18 -1.960 3.395 2.338 1.00 0.00 C ATOM 260 C VAL A 18 -0.900 2.292 2.336 1.00 0.00 C ATOM 261 O VAL A 18 0.286 2.562 2.371 1.00 0.00 O ATOM 262 CB VAL A 18 -2.831 3.337 3.601 1.00 0.00 C ATOM 263 CG1 VAL A 18 -1.947 3.342 4.850 1.00 0.00 C ATOM 264 CG2 VAL A 18 -3.756 4.557 3.637 1.00 0.00 C ATOM 0 H VAL A 18 -3.637 2.493 1.372 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.423 4.341 2.273 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.422 2.421 3.582 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.575 3.301 5.740 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.286 2.475 4.831 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.350 4.254 4.869 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.375 4.518 4.533 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.157 5.468 3.650 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.395 4.555 2.754 1.00 0.00 H new ATOM 274 N ASP A 19 -1.320 1.054 2.276 1.00 0.00 N ATOM 275 CA ASP A 19 -0.340 -0.078 2.256 1.00 0.00 C ATOM 276 C ASP A 19 0.564 0.011 1.016 1.00 0.00 C ATOM 277 O ASP A 19 1.644 -0.537 0.999 1.00 0.00 O ATOM 278 CB ASP A 19 -1.185 -1.357 2.215 1.00 0.00 C ATOM 279 CG ASP A 19 -0.314 -2.580 2.544 1.00 0.00 C ATOM 280 OD1 ASP A 19 0.664 -2.426 3.262 1.00 0.00 O ATOM 281 OD2 ASP A 19 -0.647 -3.657 2.077 1.00 0.00 O ATOM 0 H ASP A 19 -2.301 0.776 2.240 1.00 0.00 H new ATOM 0 HA ASP A 19 0.315 -0.057 3.127 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.005 -1.283 2.929 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.632 -1.475 1.228 1.00 0.00 H new ATOM 286 N VAL A 20 0.133 0.702 -0.015 1.00 0.00 N ATOM 287 CA VAL A 20 0.976 0.833 -1.249 1.00 0.00 C ATOM 288 C VAL A 20 2.387 1.341 -0.900 1.00 0.00 C ATOM 289 O VAL A 20 3.355 1.006 -1.555 1.00 0.00 O ATOM 290 CB VAL A 20 0.239 1.850 -2.136 1.00 0.00 C ATOM 291 CG1 VAL A 20 0.105 3.189 -1.405 1.00 0.00 C ATOM 292 CG2 VAL A 20 1.028 2.067 -3.427 1.00 0.00 C ATOM 0 H VAL A 20 -0.767 1.181 -0.055 1.00 0.00 H new ATOM 0 HA VAL A 20 1.108 -0.126 -1.750 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.754 1.462 -2.365 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.418 3.901 -2.043 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.458 3.045 -0.483 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.096 3.575 -1.168 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.506 2.788 -4.056 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.021 2.447 -3.187 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.121 1.121 -3.960 1.00 0.00 H new ATOM 302 N GLN A 21 2.504 2.142 0.127 1.00 0.00 N ATOM 303 CA GLN A 21 3.846 2.673 0.522 1.00 0.00 C ATOM 304 C GLN A 21 4.613 1.646 1.370 1.00 0.00 C ATOM 305 O GLN A 21 5.824 1.697 1.462 1.00 0.00 O ATOM 306 CB GLN A 21 3.552 3.932 1.345 1.00 0.00 C ATOM 307 CG GLN A 21 3.776 5.178 0.482 1.00 0.00 C ATOM 308 CD GLN A 21 2.541 5.434 -0.388 1.00 0.00 C ATOM 309 OE1 GLN A 21 2.572 5.213 -1.582 1.00 0.00 O ATOM 310 NE2 GLN A 21 1.450 5.896 0.161 1.00 0.00 N ATOM 0 H GLN A 21 1.728 2.453 0.711 1.00 0.00 H new ATOM 0 HA GLN A 21 4.468 2.886 -0.348 1.00 0.00 H new ATOM 0 HB2 GLN A 21 2.524 3.909 1.708 1.00 0.00 H new ATOM 0 HB3 GLN A 21 4.199 3.964 2.222 1.00 0.00 H new ATOM 0 HG2 GLN A 21 3.970 6.042 1.118 1.00 0.00 H new ATOM 0 HG3 GLN A 21 4.655 5.042 -0.148 1.00 0.00 H new ATOM 0 HE21 GLN A 21 1.423 6.082 1.164 1.00 0.00 H new ATOM 0 HE22 GLN A 21 0.625 6.071 -0.413 1.00 0.00 H new ATOM 319 N TYR A 22 3.921 0.720 1.992 1.00 0.00 N ATOM 320 CA TYR A 22 4.622 -0.305 2.837 1.00 0.00 C ATOM 321 C TYR A 22 4.750 -1.619 2.060 1.00 0.00 C ATOM 322 O TYR A 22 5.821 -2.189 1.965 1.00 0.00 O ATOM 323 CB TYR A 22 3.746 -0.499 4.089 1.00 0.00 C ATOM 324 CG TYR A 22 3.101 0.811 4.492 1.00 0.00 C ATOM 325 CD1 TYR A 22 3.861 1.987 4.540 1.00 0.00 C ATOM 326 CD2 TYR A 22 1.737 0.848 4.798 1.00 0.00 C ATOM 327 CE1 TYR A 22 3.256 3.197 4.893 1.00 0.00 C ATOM 328 CE2 TYR A 22 1.133 2.056 5.155 1.00 0.00 C ATOM 329 CZ TYR A 22 1.891 3.232 5.200 1.00 0.00 C ATOM 330 OH TYR A 22 1.293 4.425 5.546 1.00 0.00 O ATOM 0 H TYR A 22 2.906 0.628 1.953 1.00 0.00 H new ATOM 0 HA TYR A 22 5.628 0.014 3.109 1.00 0.00 H new ATOM 0 HB2 TYR A 22 2.976 -1.244 3.890 1.00 0.00 H new ATOM 0 HB3 TYR A 22 4.353 -0.880 4.910 1.00 0.00 H new ATOM 0 HD1 TYR A 22 4.915 1.959 4.304 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.150 -0.058 4.758 1.00 0.00 H new ATOM 0 HE1 TYR A 22 3.841 4.104 4.929 1.00 0.00 H new ATOM 0 HE2 TYR A 22 0.081 2.083 5.396 1.00 0.00 H new ATOM 0 HH TYR A 22 1.755 5.164 5.098 1.00 0.00 H new ATOM 340 N MET A 23 3.669 -2.097 1.492 1.00 0.00 N ATOM 341 CA MET A 23 3.725 -3.369 0.707 1.00 0.00 C ATOM 342 C MET A 23 4.697 -3.216 -0.471 1.00 0.00 C ATOM 343 O MET A 23 5.433 -4.130 -0.795 1.00 0.00 O ATOM 344 CB MET A 23 2.297 -3.602 0.202 1.00 0.00 C ATOM 345 CG MET A 23 1.893 -5.056 0.456 1.00 0.00 C ATOM 346 SD MET A 23 1.252 -5.780 -1.073 1.00 0.00 S ATOM 347 CE MET A 23 -0.339 -4.920 -1.086 1.00 0.00 C ATOM 0 H MET A 23 2.749 -1.660 1.539 1.00 0.00 H new ATOM 0 HA MET A 23 4.078 -4.207 1.308 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.607 -2.928 0.710 1.00 0.00 H new ATOM 0 HB3 MET A 23 2.236 -3.378 -0.863 1.00 0.00 H new ATOM 0 HG2 MET A 23 2.752 -5.627 0.809 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.136 -5.103 1.239 1.00 0.00 H new ATOM 0 HE1 MET A 23 -0.952 -5.302 -1.902 1.00 0.00 H new ATOM 0 HE2 MET A 23 -0.851 -5.087 -0.138 1.00 0.00 H new ATOM 0 HE3 MET A 23 -0.174 -3.852 -1.226 1.00 0.00 H new ATOM 357 N TYR A 24 4.717 -2.065 -1.100 1.00 0.00 N ATOM 358 CA TYR A 24 5.656 -1.852 -2.247 1.00 0.00 C ATOM 359 C TYR A 24 7.008 -1.307 -1.750 1.00 0.00 C ATOM 360 O TYR A 24 7.803 -0.810 -2.527 1.00 0.00 O ATOM 361 CB TYR A 24 4.962 -0.829 -3.153 1.00 0.00 C ATOM 362 CG TYR A 24 4.995 -1.319 -4.582 1.00 0.00 C ATOM 363 CD1 TYR A 24 6.100 -1.035 -5.394 1.00 0.00 C ATOM 364 CD2 TYR A 24 3.923 -2.058 -5.095 1.00 0.00 C ATOM 365 CE1 TYR A 24 6.133 -1.491 -6.717 1.00 0.00 C ATOM 366 CE2 TYR A 24 3.956 -2.514 -6.418 1.00 0.00 C ATOM 367 CZ TYR A 24 5.060 -2.231 -7.229 1.00 0.00 C ATOM 368 OH TYR A 24 5.093 -2.681 -8.533 1.00 0.00 O ATOM 0 H TYR A 24 4.126 -1.266 -0.870 1.00 0.00 H new ATOM 0 HA TYR A 24 5.870 -2.782 -2.773 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.931 -0.682 -2.831 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.460 0.137 -3.077 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.927 -0.464 -4.999 1.00 0.00 H new ATOM 0 HD2 TYR A 24 3.070 -2.277 -4.470 1.00 0.00 H new ATOM 0 HE1 TYR A 24 6.986 -1.272 -7.343 1.00 0.00 H new ATOM 0 HE2 TYR A 24 3.129 -3.085 -6.813 1.00 0.00 H new ATOM 0 HH TYR A 24 4.272 -3.178 -8.728 1.00 0.00 H new ATOM 378 N GLY A 25 7.278 -1.404 -0.468 1.00 0.00 N ATOM 379 CA GLY A 25 8.577 -0.901 0.076 1.00 0.00 C ATOM 380 C GLY A 25 9.631 -2.021 0.069 1.00 0.00 C ATOM 381 O GLY A 25 10.779 -1.790 0.398 1.00 0.00 O ATOM 0 H GLY A 25 6.651 -1.812 0.225 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.927 -0.060 -0.522 1.00 0.00 H new ATOM 0 HA3 GLY A 25 8.435 -0.533 1.092 1.00 0.00 H new ATOM 385 N LEU A 26 9.254 -3.230 -0.304 1.00 0.00 N ATOM 386 CA LEU A 26 10.229 -4.369 -0.339 1.00 0.00 C ATOM 387 C LEU A 26 10.932 -4.541 1.018 1.00 0.00 C ATOM 388 O LEU A 26 12.141 -4.669 1.090 1.00 0.00 O ATOM 389 CB LEU A 26 11.239 -4.003 -1.435 1.00 0.00 C ATOM 390 CG LEU A 26 10.723 -4.482 -2.796 1.00 0.00 C ATOM 391 CD1 LEU A 26 9.741 -3.458 -3.368 1.00 0.00 C ATOM 392 CD2 LEU A 26 11.903 -4.644 -3.758 1.00 0.00 C ATOM 0 H LEU A 26 8.305 -3.473 -0.587 1.00 0.00 H new ATOM 0 HA LEU A 26 9.731 -5.317 -0.544 1.00 0.00 H new ATOM 0 HB2 LEU A 26 11.395 -2.924 -1.454 1.00 0.00 H new ATOM 0 HB3 LEU A 26 12.205 -4.461 -1.220 1.00 0.00 H new ATOM 0 HG LEU A 26 10.215 -5.438 -2.672 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.377 -3.804 -4.336 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.900 -3.340 -2.685 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.245 -2.500 -3.491 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.538 -4.985 -4.727 1.00 0.00 H new ATOM 0 HD22 LEU A 26 12.409 -3.686 -3.877 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.603 -5.377 -3.356 1.00 0.00 H new ATOM 404 N SER A 27 10.179 -4.562 2.094 1.00 0.00 N ATOM 405 CA SER A 27 10.798 -4.744 3.447 1.00 0.00 C ATOM 406 C SER A 27 9.724 -5.127 4.489 1.00 0.00 C ATOM 407 O SER A 27 9.763 -6.222 5.017 1.00 0.00 O ATOM 408 CB SER A 27 11.469 -3.404 3.782 1.00 0.00 C ATOM 409 OG SER A 27 11.651 -3.299 5.191 1.00 0.00 O ATOM 0 H SER A 27 9.164 -4.461 2.093 1.00 0.00 H new ATOM 0 HA SER A 27 11.527 -5.554 3.458 1.00 0.00 H new ATOM 0 HB2 SER A 27 12.431 -3.331 3.275 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.855 -2.578 3.422 1.00 0.00 H new ATOM 0 HG SER A 27 12.081 -2.444 5.403 1.00 0.00 H new ATOM 415 N PRO A 28 8.794 -4.225 4.757 1.00 0.00 N ATOM 416 CA PRO A 28 7.721 -4.519 5.749 1.00 0.00 C ATOM 417 C PRO A 28 6.702 -5.521 5.182 1.00 0.00 C ATOM 418 O PRO A 28 5.983 -6.169 5.920 1.00 0.00 O ATOM 419 CB PRO A 28 7.069 -3.159 5.991 1.00 0.00 C ATOM 420 CG PRO A 28 7.350 -2.368 4.754 1.00 0.00 C ATOM 421 CD PRO A 28 8.649 -2.876 4.184 1.00 0.00 C ATOM 0 HA PRO A 28 8.106 -4.973 6.662 1.00 0.00 H new ATOM 0 HB2 PRO A 28 5.997 -3.260 6.160 1.00 0.00 H new ATOM 0 HB3 PRO A 28 7.486 -2.673 6.873 1.00 0.00 H new ATOM 0 HG2 PRO A 28 6.542 -2.484 4.032 1.00 0.00 H new ATOM 0 HG3 PRO A 28 7.421 -1.305 4.985 1.00 0.00 H new ATOM 0 HD2 PRO A 28 8.620 -2.907 3.095 1.00 0.00 H new ATOM 0 HD3 PRO A 28 9.484 -2.233 4.463 1.00 0.00 H new ATOM 429 N ALA A 29 6.640 -5.651 3.882 1.00 0.00 N ATOM 430 CA ALA A 29 5.675 -6.608 3.261 1.00 0.00 C ATOM 431 C ALA A 29 6.153 -8.052 3.468 1.00 0.00 C ATOM 432 O ALA A 29 5.383 -8.918 3.824 1.00 0.00 O ATOM 433 CB ALA A 29 5.658 -6.253 1.771 1.00 0.00 C ATOM 0 H ALA A 29 7.219 -5.133 3.221 1.00 0.00 H new ATOM 0 HA ALA A 29 4.682 -6.536 3.704 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.969 -6.916 1.247 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.333 -5.220 1.647 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.660 -6.370 1.358 1.00 0.00 H new ATOM 439 N ILE A 30 7.421 -8.312 3.247 1.00 0.00 N ATOM 440 CA ILE A 30 7.952 -9.702 3.430 1.00 0.00 C ATOM 441 C ILE A 30 7.932 -10.096 4.914 1.00 0.00 C ATOM 442 O ILE A 30 7.667 -11.234 5.256 1.00 0.00 O ATOM 443 CB ILE A 30 9.392 -9.662 2.893 1.00 0.00 C ATOM 444 CG1 ILE A 30 9.376 -9.284 1.407 1.00 0.00 C ATOM 445 CG2 ILE A 30 10.044 -11.038 3.055 1.00 0.00 C ATOM 446 CD1 ILE A 30 10.219 -8.026 1.187 1.00 0.00 C ATOM 0 H ILE A 30 8.111 -7.622 2.948 1.00 0.00 H new ATOM 0 HA ILE A 30 7.348 -10.441 2.905 1.00 0.00 H new ATOM 0 HB ILE A 30 9.961 -8.921 3.454 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.768 -10.106 0.808 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.352 -9.110 1.077 1.00 0.00 H new ATOM 0 HG21 ILE A 30 11.064 -11.004 2.673 1.00 0.00 H new ATOM 0 HG22 ILE A 30 10.060 -11.311 4.110 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.472 -11.780 2.497 1.00 0.00 H new ATOM 0 HD11 ILE A 30 10.206 -7.760 0.130 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.807 -7.205 1.773 1.00 0.00 H new ATOM 0 HD13 ILE A 30 11.245 -8.216 1.501 1.00 0.00 H new ATOM 458 N THR A 31 8.202 -9.164 5.792 1.00 0.00 N ATOM 459 CA THR A 31 8.193 -9.480 7.257 1.00 0.00 C ATOM 460 C THR A 31 6.754 -9.701 7.746 1.00 0.00 C ATOM 461 O THR A 31 6.512 -10.488 8.641 1.00 0.00 O ATOM 462 CB THR A 31 8.818 -8.259 7.951 1.00 0.00 C ATOM 463 OG1 THR A 31 8.215 -7.067 7.463 1.00 0.00 O ATOM 464 CG2 THR A 31 10.323 -8.222 7.671 1.00 0.00 C ATOM 0 H THR A 31 8.429 -8.197 5.560 1.00 0.00 H new ATOM 0 HA THR A 31 8.748 -10.392 7.477 1.00 0.00 H new ATOM 0 HB THR A 31 8.651 -8.334 9.025 1.00 0.00 H new ATOM 0 HG1 THR A 31 8.078 -6.442 8.205 1.00 0.00 H new ATOM 0 HG21 THR A 31 10.764 -7.355 8.164 1.00 0.00 H new ATOM 0 HG22 THR A 31 10.787 -9.132 8.053 1.00 0.00 H new ATOM 0 HG23 THR A 31 10.492 -8.153 6.596 1.00 0.00 H new ATOM 472 N LYS A 32 5.799 -9.016 7.160 1.00 0.00 N ATOM 473 CA LYS A 32 4.375 -9.190 7.587 1.00 0.00 C ATOM 474 C LYS A 32 3.689 -10.301 6.767 1.00 0.00 C ATOM 475 O LYS A 32 2.476 -10.382 6.720 1.00 0.00 O ATOM 476 CB LYS A 32 3.712 -7.834 7.316 1.00 0.00 C ATOM 477 CG LYS A 32 2.500 -7.660 8.237 1.00 0.00 C ATOM 478 CD LYS A 32 1.264 -7.313 7.400 1.00 0.00 C ATOM 479 CE LYS A 32 0.012 -7.886 8.074 1.00 0.00 C ATOM 480 NZ LYS A 32 -1.130 -7.111 7.506 1.00 0.00 N ATOM 0 H LYS A 32 5.945 -8.345 6.406 1.00 0.00 H new ATOM 0 HA LYS A 32 4.297 -9.485 8.633 1.00 0.00 H new ATOM 0 HB2 LYS A 32 4.427 -7.029 7.483 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.401 -7.772 6.273 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.324 -8.576 8.801 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.693 -6.871 8.964 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.172 -6.232 7.298 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.367 -7.720 6.394 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.094 -8.951 7.867 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.063 -7.775 9.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.021 -7.450 7.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.007 -6.102 7.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.159 -7.241 6.475 1.00 0.00 H new ATOM 494 N TYR A 33 4.455 -11.158 6.132 1.00 0.00 N ATOM 495 CA TYR A 33 3.849 -12.264 5.326 1.00 0.00 C ATOM 496 C TYR A 33 4.132 -13.612 6.000 1.00 0.00 C ATOM 497 O TYR A 33 3.236 -14.405 6.222 1.00 0.00 O ATOM 498 CB TYR A 33 4.541 -12.188 3.960 1.00 0.00 C ATOM 499 CG TYR A 33 3.656 -11.473 2.959 1.00 0.00 C ATOM 500 CD1 TYR A 33 2.982 -10.299 3.322 1.00 0.00 C ATOM 501 CD2 TYR A 33 3.521 -11.982 1.662 1.00 0.00 C ATOM 502 CE1 TYR A 33 2.175 -9.638 2.389 1.00 0.00 C ATOM 503 CE2 TYR A 33 2.714 -11.321 0.729 1.00 0.00 C ATOM 504 CZ TYR A 33 2.042 -10.149 1.092 1.00 0.00 C ATOM 505 OH TYR A 33 1.250 -9.495 0.170 1.00 0.00 O ATOM 0 H TYR A 33 5.475 -11.138 6.138 1.00 0.00 H new ATOM 0 HA TYR A 33 2.767 -12.170 5.235 1.00 0.00 H new ATOM 0 HB2 TYR A 33 5.491 -11.663 4.055 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.767 -13.193 3.603 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.085 -9.904 4.322 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.040 -12.886 1.381 1.00 0.00 H new ATOM 0 HE1 TYR A 33 1.655 -8.734 2.669 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.610 -11.716 -0.271 1.00 0.00 H new ATOM 0 HH TYR A 33 1.268 -9.982 -0.680 1.00 0.00 H new ATOM 515 N VAL A 34 5.375 -13.873 6.331 1.00 0.00 N ATOM 516 CA VAL A 34 5.725 -15.166 6.996 1.00 0.00 C ATOM 517 C VAL A 34 5.428 -15.076 8.499 1.00 0.00 C ATOM 518 O VAL A 34 6.311 -14.864 9.310 1.00 0.00 O ATOM 519 CB VAL A 34 7.226 -15.364 6.745 1.00 0.00 C ATOM 520 CG1 VAL A 34 7.671 -16.713 7.314 1.00 0.00 C ATOM 521 CG2 VAL A 34 7.508 -15.335 5.238 1.00 0.00 C ATOM 0 H VAL A 34 6.162 -13.245 6.168 1.00 0.00 H new ATOM 0 HA VAL A 34 5.145 -16.002 6.605 1.00 0.00 H new ATOM 0 HB VAL A 34 7.777 -14.561 7.235 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.737 -16.850 7.134 1.00 0.00 H new ATOM 0 HG12 VAL A 34 7.478 -16.737 8.387 1.00 0.00 H new ATOM 0 HG13 VAL A 34 7.115 -17.514 6.827 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.575 -15.476 5.065 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.952 -16.135 4.748 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.198 -14.374 4.828 1.00 0.00 H new ATOM 531 N VAL A 35 4.183 -15.232 8.871 1.00 0.00 N ATOM 532 CA VAL A 35 3.807 -15.158 10.318 1.00 0.00 C ATOM 533 C VAL A 35 3.096 -16.452 10.763 1.00 0.00 C ATOM 534 O VAL A 35 2.381 -16.468 11.747 1.00 0.00 O ATOM 535 CB VAL A 35 2.875 -13.941 10.413 1.00 0.00 C ATOM 536 CG1 VAL A 35 1.500 -14.276 9.822 1.00 0.00 C ATOM 537 CG2 VAL A 35 2.712 -13.531 11.879 1.00 0.00 C ATOM 0 H VAL A 35 3.407 -15.408 8.233 1.00 0.00 H new ATOM 0 HA VAL A 35 4.673 -15.056 10.972 1.00 0.00 H new ATOM 0 HB VAL A 35 3.314 -13.118 9.848 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.850 -13.404 9.896 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.613 -14.557 8.775 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.059 -15.106 10.374 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.050 -12.667 11.944 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.284 -14.359 12.443 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.686 -13.274 12.295 1.00 0.00 H new ATOM 547 N ARG A 36 3.298 -17.534 10.051 1.00 0.00 N ATOM 548 CA ARG A 36 2.643 -18.824 10.436 1.00 0.00 C ATOM 549 C ARG A 36 3.653 -19.748 11.127 1.00 0.00 C ATOM 550 O ARG A 36 4.780 -19.826 10.660 1.00 0.00 O ATOM 551 CB ARG A 36 2.161 -19.441 9.118 1.00 0.00 C ATOM 552 CG ARG A 36 0.650 -19.230 8.974 1.00 0.00 C ATOM 553 CD ARG A 36 0.339 -18.639 7.595 1.00 0.00 C ATOM 554 NE ARG A 36 -0.471 -19.680 6.897 1.00 0.00 N ATOM 555 CZ ARG A 36 0.048 -20.360 5.909 1.00 0.00 C ATOM 556 NH1 ARG A 36 0.049 -19.858 4.701 1.00 0.00 N ATOM 557 NH2 ARG A 36 0.565 -21.540 6.130 1.00 0.00 N ATOM 558 OXT ARG A 36 3.282 -20.361 12.114 1.00 0.00 O ATOM 0 H ARG A 36 3.888 -17.580 9.220 1.00 0.00 H new ATOM 0 HA ARG A 36 1.821 -18.673 11.136 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.684 -18.984 8.278 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.393 -20.506 9.097 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.127 -20.178 9.100 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.290 -18.561 9.756 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.214 -17.704 7.683 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.254 -18.418 7.046 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.431 -19.861 7.191 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.355 -18.937 4.531 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.454 -20.388 3.929 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.563 -21.929 7.073 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.970 -22.072 5.360 1.00 0.00 H new TER 572 ARG A 36