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 Set 1.1: A 7 SER OG : rot 180:sc= 0.0433 USER MOD Set 1.2: A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 SER N :NH3+ 143:sc= 0.088 (180deg=0.00232) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0563 USER MOD Single : A 12 HIS : no HD1:sc= -0.748 K(o=-0.75,f=-1.5) USER MOD Single : A 14 HIS : no HE2:sc= -3.03! C(o=-3!,f=-4!) USER MOD Single : A 15 GLN : amide:sc= -0.0157 X(o=-0.016,f=-0.026) USER MOD Single : A 16 ASN : amide:sc= -0.061 X(o=-0.061,f=0) USER MOD Single : A 21 GLN : amide:sc= -0.62 X(o=-0.62,f=-0.73) 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= 0.549 USER MOD Single : A 32 LYS NZ :NH3+ 162:sc= 1.21 (180deg=1.06) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -28.442 -0.965 -10.507 1.00 0.00 N ATOM 2 CA SER A 1 -28.251 0.314 -9.758 1.00 0.00 C ATOM 3 C SER A 1 -28.354 0.065 -8.249 1.00 0.00 C ATOM 4 O SER A 1 -29.371 -0.387 -7.756 1.00 0.00 O ATOM 5 CB SER A 1 -29.383 1.230 -10.231 1.00 0.00 C ATOM 6 OG SER A 1 -29.322 1.363 -11.646 1.00 0.00 O ATOM 0 H1 SER A 1 -28.974 -0.779 -11.381 1.00 0.00 H new ATOM 0 H2 SER A 1 -27.514 -1.369 -10.746 1.00 0.00 H new ATOM 0 H3 SER A 1 -28.971 -1.638 -9.916 1.00 0.00 H new ATOM 0 HA SER A 1 -27.271 0.755 -9.941 1.00 0.00 H new ATOM 0 HB2 SER A 1 -30.347 0.818 -9.935 1.00 0.00 H new ATOM 0 HB3 SER A 1 -29.296 2.208 -9.758 1.00 0.00 H new ATOM 0 HG SER A 1 -30.047 1.948 -11.951 1.00 0.00 H new ATOM 11 N ASP A 2 -27.306 0.353 -7.517 1.00 0.00 N ATOM 12 CA ASP A 2 -27.335 0.132 -6.039 1.00 0.00 C ATOM 13 C ASP A 2 -26.816 1.374 -5.300 1.00 0.00 C ATOM 14 O ASP A 2 -26.593 2.412 -5.895 1.00 0.00 O ATOM 15 CB ASP A 2 -26.408 -1.066 -5.801 1.00 0.00 C ATOM 16 CG ASP A 2 -27.235 -2.355 -5.784 1.00 0.00 C ATOM 17 OD1 ASP A 2 -27.511 -2.872 -6.855 1.00 0.00 O ATOM 18 OD2 ASP A 2 -27.576 -2.801 -4.701 1.00 0.00 O ATOM 0 H ASP A 2 -26.431 0.732 -7.880 1.00 0.00 H new ATOM 0 HA ASP A 2 -28.344 -0.052 -5.669 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -25.652 -1.116 -6.585 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -25.879 -0.948 -4.855 1.00 0.00 H new ATOM 23 N LEU A 3 -26.622 1.265 -4.009 1.00 0.00 N ATOM 24 CA LEU A 3 -26.114 2.426 -3.210 1.00 0.00 C ATOM 25 C LEU A 3 -25.621 1.952 -1.830 1.00 0.00 C ATOM 26 O LEU A 3 -24.469 2.159 -1.500 1.00 0.00 O ATOM 27 CB LEU A 3 -27.301 3.395 -3.071 1.00 0.00 C ATOM 28 CG LEU A 3 -26.819 4.849 -3.190 1.00 0.00 C ATOM 29 CD1 LEU A 3 -25.730 5.125 -2.148 1.00 0.00 C ATOM 30 CD2 LEU A 3 -26.256 5.099 -4.593 1.00 0.00 C ATOM 0 H LEU A 3 -26.795 0.417 -3.470 1.00 0.00 H new ATOM 0 HA LEU A 3 -25.267 2.911 -3.695 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -28.042 3.186 -3.843 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -27.791 3.245 -2.109 1.00 0.00 H new ATOM 0 HG LEU A 3 -27.664 5.515 -3.015 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -25.393 6.158 -2.238 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -26.133 4.961 -1.149 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -24.888 4.453 -2.315 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -25.916 6.132 -4.670 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -25.417 4.427 -4.774 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -27.033 4.917 -5.335 1.00 0.00 H new ATOM 42 N PRO A 4 -26.494 1.322 -1.059 1.00 0.00 N ATOM 43 CA PRO A 4 -26.091 0.825 0.287 1.00 0.00 C ATOM 44 C PRO A 4 -25.126 -0.366 0.170 1.00 0.00 C ATOM 45 O PRO A 4 -24.393 -0.670 1.093 1.00 0.00 O ATOM 46 CB PRO A 4 -27.410 0.396 0.927 1.00 0.00 C ATOM 47 CG PRO A 4 -28.317 0.099 -0.222 1.00 0.00 C ATOM 48 CD PRO A 4 -27.909 1.014 -1.346 1.00 0.00 C ATOM 0 HA PRO A 4 -25.563 1.578 0.872 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -27.275 -0.481 1.560 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -27.818 1.185 1.558 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -28.231 -0.945 -0.523 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -29.358 0.266 0.054 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -28.024 0.530 -2.316 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -28.518 1.918 -1.366 1.00 0.00 H new ATOM 56 N ALA A 5 -25.117 -1.034 -0.957 1.00 0.00 N ATOM 57 CA ALA A 5 -24.198 -2.201 -1.143 1.00 0.00 C ATOM 58 C ALA A 5 -22.737 -1.732 -1.253 1.00 0.00 C ATOM 59 O ALA A 5 -21.820 -2.499 -1.031 1.00 0.00 O ATOM 60 CB ALA A 5 -24.650 -2.858 -2.451 1.00 0.00 C ATOM 0 H ALA A 5 -25.709 -0.821 -1.760 1.00 0.00 H new ATOM 0 HA ALA A 5 -24.241 -2.891 -0.300 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -24.023 -3.725 -2.658 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -25.689 -3.175 -2.359 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -24.560 -2.142 -3.268 1.00 0.00 H new ATOM 66 N LEU A 6 -22.514 -0.482 -1.591 1.00 0.00 N ATOM 67 CA LEU A 6 -21.114 0.033 -1.714 1.00 0.00 C ATOM 68 C LEU A 6 -20.687 0.739 -0.417 1.00 0.00 C ATOM 69 O LEU A 6 -20.064 1.785 -0.444 1.00 0.00 O ATOM 70 CB LEU A 6 -21.163 1.026 -2.879 1.00 0.00 C ATOM 71 CG LEU A 6 -19.759 1.214 -3.462 1.00 0.00 C ATOM 72 CD1 LEU A 6 -19.455 0.083 -4.449 1.00 0.00 C ATOM 73 CD2 LEU A 6 -19.687 2.559 -4.190 1.00 0.00 C ATOM 0 H LEU A 6 -23.244 0.203 -1.787 1.00 0.00 H new ATOM 0 HA LEU A 6 -20.393 -0.766 -1.887 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -21.841 0.662 -3.651 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -21.555 1.983 -2.536 1.00 0.00 H new ATOM 0 HG LEU A 6 -19.027 1.195 -2.655 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -18.456 0.219 -4.862 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -19.506 -0.875 -3.932 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -20.187 0.099 -5.257 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -18.689 2.695 -4.606 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -20.421 2.576 -4.996 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -19.900 3.365 -3.488 1.00 0.00 H new ATOM 85 N SER A 7 -21.012 0.171 0.718 1.00 0.00 N ATOM 86 CA SER A 7 -20.623 0.802 2.019 1.00 0.00 C ATOM 87 C SER A 7 -19.192 0.410 2.407 1.00 0.00 C ATOM 88 O SER A 7 -18.508 1.139 3.102 1.00 0.00 O ATOM 89 CB SER A 7 -21.627 0.270 3.047 1.00 0.00 C ATOM 90 OG SER A 7 -21.668 -1.152 2.985 1.00 0.00 O ATOM 0 H SER A 7 -21.531 -0.703 0.801 1.00 0.00 H new ATOM 0 HA SER A 7 -20.642 1.890 1.961 1.00 0.00 H new ATOM 0 HB2 SER A 7 -21.342 0.592 4.049 1.00 0.00 H new ATOM 0 HB3 SER A 7 -22.617 0.681 2.850 1.00 0.00 H new ATOM 0 HG SER A 7 -22.310 -1.490 3.644 1.00 0.00 H new ATOM 96 N THR A 8 -18.735 -0.733 1.962 1.00 0.00 N ATOM 97 CA THR A 8 -17.347 -1.181 2.301 1.00 0.00 C ATOM 98 C THR A 8 -16.408 -0.955 1.104 1.00 0.00 C ATOM 99 O THR A 8 -15.613 -1.807 0.759 1.00 0.00 O ATOM 100 CB THR A 8 -17.465 -2.679 2.624 1.00 0.00 C ATOM 101 OG1 THR A 8 -18.718 -2.948 3.249 1.00 0.00 O ATOM 102 CG2 THR A 8 -16.330 -3.093 3.563 1.00 0.00 C ATOM 0 H THR A 8 -19.264 -1.379 1.376 1.00 0.00 H new ATOM 0 HA THR A 8 -16.932 -0.623 3.140 1.00 0.00 H new ATOM 0 HB THR A 8 -17.399 -3.247 1.696 1.00 0.00 H new ATOM 0 HG1 THR A 8 -18.785 -3.905 3.449 1.00 0.00 H new ATOM 0 HG21 THR A 8 -16.416 -4.155 3.791 1.00 0.00 H new ATOM 0 HG22 THR A 8 -15.371 -2.901 3.081 1.00 0.00 H new ATOM 0 HG23 THR A 8 -16.394 -2.518 4.487 1.00 0.00 H new ATOM 110 N GLY A 9 -16.496 0.189 0.471 1.00 0.00 N ATOM 111 CA GLY A 9 -15.612 0.473 -0.698 1.00 0.00 C ATOM 112 C GLY A 9 -14.426 1.325 -0.239 1.00 0.00 C ATOM 113 O GLY A 9 -13.280 0.957 -0.419 1.00 0.00 O ATOM 0 H GLY A 9 -17.143 0.938 0.715 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -15.257 -0.460 -1.135 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -16.172 0.996 -1.474 1.00 0.00 H new ATOM 117 N LEU A 10 -14.701 2.460 0.360 1.00 0.00 N ATOM 118 CA LEU A 10 -13.600 3.352 0.843 1.00 0.00 C ATOM 119 C LEU A 10 -12.754 2.635 1.904 1.00 0.00 C ATOM 120 O LEU A 10 -11.553 2.812 1.964 1.00 0.00 O ATOM 121 CB LEU A 10 -14.301 4.572 1.451 1.00 0.00 C ATOM 122 CG LEU A 10 -14.212 5.752 0.480 1.00 0.00 C ATOM 123 CD1 LEU A 10 -15.325 6.755 0.790 1.00 0.00 C ATOM 124 CD2 LEU A 10 -12.851 6.439 0.636 1.00 0.00 C ATOM 0 H LEU A 10 -15.644 2.807 0.535 1.00 0.00 H new ATOM 0 HA LEU A 10 -12.924 3.634 0.036 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -15.345 4.338 1.660 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -13.837 4.834 2.402 1.00 0.00 H new ATOM 0 HG LEU A 10 -14.324 5.390 -0.542 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -15.261 7.595 0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -16.294 6.268 0.681 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -15.214 7.117 1.812 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -12.786 7.280 -0.055 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -12.741 6.800 1.658 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -12.056 5.726 0.416 1.00 0.00 H new ATOM 136 N LEU A 11 -13.370 1.823 2.735 1.00 0.00 N ATOM 137 CA LEU A 11 -12.596 1.088 3.788 1.00 0.00 C ATOM 138 C LEU A 11 -11.507 0.227 3.132 1.00 0.00 C ATOM 139 O LEU A 11 -10.359 0.248 3.536 1.00 0.00 O ATOM 140 CB LEU A 11 -13.628 0.206 4.502 1.00 0.00 C ATOM 141 CG LEU A 11 -12.966 -0.523 5.676 1.00 0.00 C ATOM 142 CD1 LEU A 11 -13.853 -0.406 6.918 1.00 0.00 C ATOM 143 CD2 LEU A 11 -12.783 -2.001 5.322 1.00 0.00 C ATOM 0 H LEU A 11 -14.373 1.639 2.729 1.00 0.00 H new ATOM 0 HA LEU A 11 -12.095 1.763 4.482 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -14.455 0.818 4.862 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -14.047 -0.518 3.803 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.994 -0.073 5.879 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -13.381 -0.925 7.752 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.985 0.645 7.173 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.825 -0.855 6.714 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -12.312 -2.520 6.157 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.755 -2.449 5.118 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -12.151 -2.088 4.438 1.00 0.00 H new ATOM 155 N HIS A 12 -11.864 -0.520 2.115 1.00 0.00 N ATOM 156 CA HIS A 12 -10.857 -1.377 1.416 1.00 0.00 C ATOM 157 C HIS A 12 -9.962 -0.508 0.525 1.00 0.00 C ATOM 158 O HIS A 12 -8.760 -0.690 0.477 1.00 0.00 O ATOM 159 CB HIS A 12 -11.676 -2.357 0.567 1.00 0.00 C ATOM 160 CG HIS A 12 -12.351 -3.368 1.458 1.00 0.00 C ATOM 161 ND1 HIS A 12 -11.735 -3.900 2.580 1.00 0.00 N ATOM 162 CD2 HIS A 12 -13.591 -3.955 1.398 1.00 0.00 C ATOM 163 CE1 HIS A 12 -12.597 -4.765 3.145 1.00 0.00 C ATOM 164 NE2 HIS A 12 -13.743 -4.837 2.464 1.00 0.00 N ATOM 0 H HIS A 12 -12.811 -0.573 1.739 1.00 0.00 H new ATOM 0 HA HIS A 12 -10.205 -1.901 2.114 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -12.423 -1.814 -0.012 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -11.027 -2.864 -0.146 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -14.335 -3.762 0.639 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -12.387 -5.332 4.040 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -14.556 -5.415 2.679 1.00 0.00 H new ATOM 172 N LEU A 13 -10.540 0.442 -0.174 1.00 0.00 N ATOM 173 CA LEU A 13 -9.727 1.334 -1.061 1.00 0.00 C ATOM 174 C LEU A 13 -8.660 2.073 -0.243 1.00 0.00 C ATOM 175 O LEU A 13 -7.523 2.188 -0.659 1.00 0.00 O ATOM 176 CB LEU A 13 -10.728 2.326 -1.661 1.00 0.00 C ATOM 177 CG LEU A 13 -10.065 3.101 -2.803 1.00 0.00 C ATOM 178 CD1 LEU A 13 -10.101 2.263 -4.083 1.00 0.00 C ATOM 179 CD2 LEU A 13 -10.819 4.413 -3.032 1.00 0.00 C ATOM 0 H LEU A 13 -11.541 0.637 -0.168 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.200 0.773 -1.833 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -11.605 1.794 -2.030 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -11.075 3.017 -0.893 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.029 3.315 -2.541 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.628 2.817 -4.894 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.564 1.328 -3.921 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -11.136 2.046 -4.347 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.348 4.966 -3.845 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -11.855 4.197 -3.293 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.791 5.012 -2.122 1.00 0.00 H new ATOM 191 N HIS A 14 -9.020 2.566 0.922 1.00 0.00 N ATOM 192 CA HIS A 14 -8.030 3.293 1.782 1.00 0.00 C ATOM 193 C HIS A 14 -6.854 2.366 2.125 1.00 0.00 C ATOM 194 O HIS A 14 -5.705 2.715 1.929 1.00 0.00 O ATOM 195 CB HIS A 14 -8.813 3.681 3.048 1.00 0.00 C ATOM 196 CG HIS A 14 -7.863 4.036 4.163 1.00 0.00 C ATOM 197 ND1 HIS A 14 -7.945 3.449 5.418 1.00 0.00 N ATOM 198 CD2 HIS A 14 -6.804 4.908 4.228 1.00 0.00 C ATOM 199 CE1 HIS A 14 -6.961 3.970 6.174 1.00 0.00 C ATOM 200 NE2 HIS A 14 -6.238 4.865 5.498 1.00 0.00 N ATOM 0 H HIS A 14 -9.959 2.495 1.314 1.00 0.00 H new ATOM 0 HA HIS A 14 -7.608 4.168 1.287 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -9.466 4.527 2.835 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -9.453 2.854 3.356 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -8.627 2.750 5.713 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -6.462 5.533 3.416 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -6.779 3.697 7.203 1.00 0.00 H new ATOM 208 N GLN A 15 -7.139 1.188 2.629 1.00 0.00 N ATOM 209 CA GLN A 15 -6.046 0.229 2.982 1.00 0.00 C ATOM 210 C GLN A 15 -5.184 -0.078 1.748 1.00 0.00 C ATOM 211 O GLN A 15 -3.984 -0.232 1.849 1.00 0.00 O ATOM 212 CB GLN A 15 -6.766 -1.035 3.464 1.00 0.00 C ATOM 213 CG GLN A 15 -5.788 -1.924 4.242 1.00 0.00 C ATOM 214 CD GLN A 15 -5.626 -1.384 5.666 1.00 0.00 C ATOM 215 OE1 GLN A 15 -6.545 -1.441 6.459 1.00 0.00 O ATOM 216 NE2 GLN A 15 -4.485 -0.863 6.029 1.00 0.00 N ATOM 0 H GLN A 15 -8.084 0.850 2.811 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.376 0.631 3.742 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.610 -0.764 4.099 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.170 -1.582 2.612 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.157 -2.949 4.271 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -4.822 -1.947 3.738 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -3.712 -0.814 5.365 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -4.366 -0.505 6.977 1.00 0.00 H new ATOM 225 N ASN A 16 -5.790 -0.161 0.589 1.00 0.00 N ATOM 226 CA ASN A 16 -5.012 -0.456 -0.657 1.00 0.00 C ATOM 227 C ASN A 16 -4.057 0.703 -0.993 1.00 0.00 C ATOM 228 O ASN A 16 -2.930 0.487 -1.395 1.00 0.00 O ATOM 229 CB ASN A 16 -6.072 -0.613 -1.753 1.00 0.00 C ATOM 230 CG ASN A 16 -5.497 -1.429 -2.913 1.00 0.00 C ATOM 231 OD1 ASN A 16 -5.856 -2.574 -3.101 1.00 0.00 O ATOM 232 ND2 ASN A 16 -4.614 -0.885 -3.705 1.00 0.00 N ATOM 0 H ASN A 16 -6.793 -0.037 0.451 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.392 -1.346 -0.550 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.955 -1.108 -1.350 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -6.390 0.367 -2.108 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -4.226 -1.421 -4.481 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -4.312 0.076 -3.548 1.00 0.00 H new ATOM 239 N ILE A 17 -4.502 1.926 -0.841 1.00 0.00 N ATOM 240 CA ILE A 17 -3.621 3.095 -1.162 1.00 0.00 C ATOM 241 C ILE A 17 -2.580 3.307 -0.049 1.00 0.00 C ATOM 242 O ILE A 17 -1.419 3.554 -0.318 1.00 0.00 O ATOM 243 CB ILE A 17 -4.568 4.300 -1.261 1.00 0.00 C ATOM 244 CG1 ILE A 17 -5.479 4.136 -2.485 1.00 0.00 C ATOM 245 CG2 ILE A 17 -3.755 5.592 -1.408 1.00 0.00 C ATOM 246 CD1 ILE A 17 -6.690 5.064 -2.352 1.00 0.00 C ATOM 0 H ILE A 17 -5.436 2.167 -0.509 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.062 2.944 -2.086 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.172 4.354 -0.355 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.927 4.370 -3.396 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -5.809 3.101 -2.569 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.433 6.443 -1.478 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.107 5.715 -0.540 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.146 5.538 -2.311 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -7.336 4.946 -3.222 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.246 4.809 -1.450 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.351 6.098 -2.289 1.00 0.00 H new ATOM 258 N VAL A 18 -2.989 3.217 1.192 1.00 0.00 N ATOM 259 CA VAL A 18 -2.029 3.415 2.325 1.00 0.00 C ATOM 260 C VAL A 18 -1.006 2.272 2.374 1.00 0.00 C ATOM 261 O VAL A 18 0.152 2.486 2.678 1.00 0.00 O ATOM 262 CB VAL A 18 -2.903 3.440 3.587 1.00 0.00 C ATOM 263 CG1 VAL A 18 -2.033 3.284 4.838 1.00 0.00 C ATOM 264 CG2 VAL A 18 -3.645 4.777 3.657 1.00 0.00 C ATOM 0 H VAL A 18 -3.949 3.014 1.471 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.450 4.332 2.221 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.615 2.616 3.543 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.665 3.303 5.726 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.499 2.335 4.794 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.315 4.103 4.886 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.268 4.801 4.551 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.923 5.592 3.696 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.274 4.891 2.774 1.00 0.00 H new ATOM 274 N ASP A 19 -1.420 1.068 2.066 1.00 0.00 N ATOM 275 CA ASP A 19 -0.464 -0.088 2.085 1.00 0.00 C ATOM 276 C ASP A 19 0.592 0.063 0.978 1.00 0.00 C ATOM 277 O ASP A 19 1.638 -0.554 1.024 1.00 0.00 O ATOM 278 CB ASP A 19 -1.325 -1.332 1.845 1.00 0.00 C ATOM 279 CG ASP A 19 -0.483 -2.592 2.068 1.00 0.00 C ATOM 280 OD1 ASP A 19 -0.356 -3.002 3.210 1.00 0.00 O ATOM 281 OD2 ASP A 19 0.020 -3.123 1.091 1.00 0.00 O ATOM 0 H ASP A 19 -2.377 0.833 1.802 1.00 0.00 H new ATOM 0 HA ASP A 19 0.079 -0.148 3.028 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.180 -1.330 2.520 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.721 -1.322 0.829 1.00 0.00 H new ATOM 286 N VAL A 20 0.335 0.883 -0.010 1.00 0.00 N ATOM 287 CA VAL A 20 1.338 1.080 -1.100 1.00 0.00 C ATOM 288 C VAL A 20 2.101 2.387 -0.857 1.00 0.00 C ATOM 289 O VAL A 20 3.282 2.485 -1.123 1.00 0.00 O ATOM 290 CB VAL A 20 0.524 1.153 -2.397 1.00 0.00 C ATOM 291 CG1 VAL A 20 1.468 1.378 -3.581 1.00 0.00 C ATOM 292 CG2 VAL A 20 -0.234 -0.162 -2.604 1.00 0.00 C ATOM 0 H VAL A 20 -0.524 1.423 -0.109 1.00 0.00 H new ATOM 0 HA VAL A 20 2.074 0.277 -1.144 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.185 1.978 -2.329 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.889 1.430 -4.503 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.011 2.312 -3.441 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.177 0.552 -3.643 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.812 -0.108 -3.527 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.477 -0.985 -2.669 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.907 -0.330 -1.764 1.00 0.00 H new ATOM 302 N GLN A 21 1.425 3.385 -0.346 1.00 0.00 N ATOM 303 CA GLN A 21 2.086 4.698 -0.070 1.00 0.00 C ATOM 304 C GLN A 21 3.119 4.556 1.059 1.00 0.00 C ATOM 305 O GLN A 21 4.185 5.137 1.002 1.00 0.00 O ATOM 306 CB GLN A 21 0.946 5.634 0.352 1.00 0.00 C ATOM 307 CG GLN A 21 1.514 7.003 0.749 1.00 0.00 C ATOM 308 CD GLN A 21 1.685 7.068 2.270 1.00 0.00 C ATOM 309 OE1 GLN A 21 2.792 7.114 2.766 1.00 0.00 O ATOM 310 NE2 GLN A 21 0.628 7.071 3.038 1.00 0.00 N ATOM 0 H GLN A 21 0.434 3.346 -0.106 1.00 0.00 H new ATOM 0 HA GLN A 21 2.625 5.077 -0.938 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.236 5.749 -0.467 1.00 0.00 H new ATOM 0 HB3 GLN A 21 0.399 5.201 1.189 1.00 0.00 H new ATOM 0 HG2 GLN A 21 2.473 7.166 0.258 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.846 7.796 0.414 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -0.303 7.032 2.624 1.00 0.00 H new ATOM 0 HE22 GLN A 21 0.734 7.112 4.052 1.00 0.00 H new ATOM 319 N TYR A 22 2.812 3.795 2.084 1.00 0.00 N ATOM 320 CA TYR A 22 3.784 3.628 3.213 1.00 0.00 C ATOM 321 C TYR A 22 5.077 2.950 2.718 1.00 0.00 C ATOM 322 O TYR A 22 6.155 3.227 3.211 1.00 0.00 O ATOM 323 CB TYR A 22 3.045 2.771 4.267 1.00 0.00 C ATOM 324 CG TYR A 22 3.465 1.317 4.190 1.00 0.00 C ATOM 325 CD1 TYR A 22 4.676 0.901 4.758 1.00 0.00 C ATOM 326 CD2 TYR A 22 2.639 0.387 3.553 1.00 0.00 C ATOM 327 CE1 TYR A 22 5.058 -0.445 4.684 1.00 0.00 C ATOM 328 CE2 TYR A 22 3.019 -0.957 3.479 1.00 0.00 C ATOM 329 CZ TYR A 22 4.229 -1.374 4.045 1.00 0.00 C ATOM 330 OH TYR A 22 4.606 -2.700 3.973 1.00 0.00 O ATOM 0 H TYR A 22 1.935 3.285 2.188 1.00 0.00 H new ATOM 0 HA TYR A 22 4.095 4.583 3.638 1.00 0.00 H new ATOM 0 HB2 TYR A 22 3.253 3.159 5.264 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.969 2.849 4.112 1.00 0.00 H new ATOM 0 HD1 TYR A 22 5.315 1.617 5.253 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.704 0.707 3.117 1.00 0.00 H new ATOM 0 HE1 TYR A 22 5.992 -0.766 5.120 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.379 -1.673 2.985 1.00 0.00 H new ATOM 0 HH TYR A 22 3.918 -3.210 3.498 1.00 0.00 H new ATOM 340 N MET A 23 4.972 2.067 1.752 1.00 0.00 N ATOM 341 CA MET A 23 6.189 1.370 1.229 1.00 0.00 C ATOM 342 C MET A 23 6.837 2.186 0.103 1.00 0.00 C ATOM 343 O MET A 23 8.046 2.288 0.024 1.00 0.00 O ATOM 344 CB MET A 23 5.683 0.024 0.698 1.00 0.00 C ATOM 345 CG MET A 23 6.644 -1.089 1.123 1.00 0.00 C ATOM 346 SD MET A 23 6.746 -2.333 -0.189 1.00 0.00 S ATOM 347 CE MET A 23 8.251 -3.154 0.391 1.00 0.00 C ATOM 0 H MET A 23 4.096 1.800 1.304 1.00 0.00 H new ATOM 0 HA MET A 23 6.949 1.244 2.000 1.00 0.00 H new ATOM 0 HB2 MET A 23 4.683 -0.178 1.083 1.00 0.00 H new ATOM 0 HB3 MET A 23 5.605 0.056 -0.389 1.00 0.00 H new ATOM 0 HG2 MET A 23 7.632 -0.674 1.323 1.00 0.00 H new ATOM 0 HG3 MET A 23 6.298 -1.549 2.049 1.00 0.00 H new ATOM 0 HE1 MET A 23 8.503 -3.971 -0.285 1.00 0.00 H new ATOM 0 HE2 MET A 23 9.071 -2.436 0.414 1.00 0.00 H new ATOM 0 HE3 MET A 23 8.086 -3.550 1.393 1.00 0.00 H new ATOM 357 N TYR A 24 6.046 2.768 -0.766 1.00 0.00 N ATOM 358 CA TYR A 24 6.622 3.579 -1.886 1.00 0.00 C ATOM 359 C TYR A 24 6.707 5.065 -1.495 1.00 0.00 C ATOM 360 O TYR A 24 6.767 5.933 -2.346 1.00 0.00 O ATOM 361 CB TYR A 24 5.655 3.384 -3.058 1.00 0.00 C ATOM 362 CG TYR A 24 5.963 2.080 -3.758 1.00 0.00 C ATOM 363 CD1 TYR A 24 5.503 0.871 -3.221 1.00 0.00 C ATOM 364 CD2 TYR A 24 6.711 2.080 -4.940 1.00 0.00 C ATOM 365 CE1 TYR A 24 5.790 -0.336 -3.868 1.00 0.00 C ATOM 366 CE2 TYR A 24 6.998 0.873 -5.587 1.00 0.00 C ATOM 367 CZ TYR A 24 6.538 -0.336 -5.051 1.00 0.00 C ATOM 368 OH TYR A 24 6.822 -1.525 -5.689 1.00 0.00 O ATOM 0 H TYR A 24 5.027 2.717 -0.749 1.00 0.00 H new ATOM 0 HA TYR A 24 7.636 3.266 -2.136 1.00 0.00 H new ATOM 0 HB2 TYR A 24 4.626 3.381 -2.697 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.744 4.214 -3.758 1.00 0.00 H new ATOM 0 HD1 TYR A 24 4.927 0.870 -2.308 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.067 3.012 -5.353 1.00 0.00 H new ATOM 0 HE1 TYR A 24 5.434 -1.268 -3.454 1.00 0.00 H new ATOM 0 HE2 TYR A 24 7.575 0.874 -6.500 1.00 0.00 H new ATOM 0 HH TYR A 24 7.349 -1.346 -6.496 1.00 0.00 H new ATOM 378 N GLY A 25 6.719 5.362 -0.218 1.00 0.00 N ATOM 379 CA GLY A 25 6.803 6.783 0.229 1.00 0.00 C ATOM 380 C GLY A 25 7.396 6.836 1.638 1.00 0.00 C ATOM 381 O GLY A 25 6.725 7.193 2.587 1.00 0.00 O ATOM 0 H GLY A 25 6.674 4.676 0.536 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.422 7.357 -0.460 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.812 7.238 0.222 1.00 0.00 H new ATOM 385 N LEU A 26 8.651 6.482 1.779 1.00 0.00 N ATOM 386 CA LEU A 26 9.298 6.509 3.128 1.00 0.00 C ATOM 387 C LEU A 26 9.763 7.930 3.469 1.00 0.00 C ATOM 388 O LEU A 26 9.703 8.351 4.609 1.00 0.00 O ATOM 389 CB LEU A 26 10.497 5.561 3.021 1.00 0.00 C ATOM 390 CG LEU A 26 10.752 4.902 4.380 1.00 0.00 C ATOM 391 CD1 LEU A 26 9.880 3.652 4.517 1.00 0.00 C ATOM 392 CD2 LEU A 26 12.227 4.504 4.485 1.00 0.00 C ATOM 0 H LEU A 26 9.255 6.175 1.017 1.00 0.00 H new ATOM 0 HA LEU A 26 8.610 6.204 3.917 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.305 4.799 2.266 1.00 0.00 H new ATOM 0 HB3 LEU A 26 11.382 6.111 2.700 1.00 0.00 H new ATOM 0 HG LEU A 26 10.505 5.606 5.174 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.063 3.185 5.485 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.829 3.931 4.442 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.126 2.948 3.722 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.409 4.035 5.452 1.00 0.00 H new ATOM 0 HD22 LEU A 26 12.472 3.801 3.689 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.851 5.392 4.389 1.00 0.00 H new ATOM 404 N SER A 27 10.218 8.667 2.488 1.00 0.00 N ATOM 405 CA SER A 27 10.685 10.068 2.741 1.00 0.00 C ATOM 406 C SER A 27 9.567 10.910 3.387 1.00 0.00 C ATOM 407 O SER A 27 9.793 11.531 4.406 1.00 0.00 O ATOM 408 CB SER A 27 11.067 10.628 1.369 1.00 0.00 C ATOM 409 OG SER A 27 12.261 9.996 0.923 1.00 0.00 O ATOM 0 H SER A 27 10.287 8.359 1.518 1.00 0.00 H new ATOM 0 HA SER A 27 11.527 10.093 3.432 1.00 0.00 H new ATOM 0 HB2 SER A 27 10.261 10.456 0.655 1.00 0.00 H new ATOM 0 HB3 SER A 27 11.213 11.706 1.431 1.00 0.00 H new ATOM 0 HG SER A 27 12.510 10.350 0.044 1.00 0.00 H new ATOM 415 N PRO A 28 8.391 10.902 2.786 1.00 0.00 N ATOM 416 CA PRO A 28 7.251 11.677 3.349 1.00 0.00 C ATOM 417 C PRO A 28 6.752 11.050 4.661 1.00 0.00 C ATOM 418 O PRO A 28 6.152 11.715 5.484 1.00 0.00 O ATOM 419 CB PRO A 28 6.183 11.592 2.259 1.00 0.00 C ATOM 420 CG PRO A 28 6.513 10.352 1.495 1.00 0.00 C ATOM 421 CD PRO A 28 8.008 10.192 1.554 1.00 0.00 C ATOM 0 HA PRO A 28 7.520 12.704 3.597 1.00 0.00 H new ATOM 0 HB2 PRO A 28 5.183 11.537 2.689 1.00 0.00 H new ATOM 0 HB3 PRO A 28 6.205 12.471 1.615 1.00 0.00 H new ATOM 0 HG2 PRO A 28 6.014 9.486 1.929 1.00 0.00 H new ATOM 0 HG3 PRO A 28 6.173 10.432 0.462 1.00 0.00 H new ATOM 0 HD2 PRO A 28 8.296 9.142 1.592 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.491 10.624 0.677 1.00 0.00 H new ATOM 429 N ALA A 29 7.001 9.781 4.859 1.00 0.00 N ATOM 430 CA ALA A 29 6.547 9.110 6.116 1.00 0.00 C ATOM 431 C ALA A 29 7.516 9.411 7.269 1.00 0.00 C ATOM 432 O ALA A 29 7.099 9.682 8.380 1.00 0.00 O ATOM 433 CB ALA A 29 6.547 7.613 5.792 1.00 0.00 C ATOM 0 H ALA A 29 7.500 9.179 4.204 1.00 0.00 H new ATOM 0 HA ALA A 29 5.564 9.460 6.433 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.224 7.051 6.668 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.864 7.420 4.965 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.553 7.301 5.512 1.00 0.00 H new ATOM 439 N ILE A 30 8.804 9.363 7.016 1.00 0.00 N ATOM 440 CA ILE A 30 9.798 9.639 8.104 1.00 0.00 C ATOM 441 C ILE A 30 9.816 11.132 8.471 1.00 0.00 C ATOM 442 O ILE A 30 10.099 11.488 9.598 1.00 0.00 O ATOM 443 CB ILE A 30 11.158 9.184 7.551 1.00 0.00 C ATOM 444 CG1 ILE A 30 12.182 9.150 8.690 1.00 0.00 C ATOM 445 CG2 ILE A 30 11.645 10.144 6.460 1.00 0.00 C ATOM 446 CD1 ILE A 30 13.312 8.181 8.339 1.00 0.00 C ATOM 0 H ILE A 30 9.209 9.145 6.105 1.00 0.00 H new ATOM 0 HA ILE A 30 9.545 9.107 9.021 1.00 0.00 H new ATOM 0 HB ILE A 30 11.046 8.190 7.119 1.00 0.00 H new ATOM 0 HG12 ILE A 30 12.586 10.148 8.859 1.00 0.00 H new ATOM 0 HG13 ILE A 30 11.699 8.840 9.617 1.00 0.00 H new ATOM 0 HG21 ILE A 30 12.609 9.805 6.081 1.00 0.00 H new ATOM 0 HG22 ILE A 30 10.922 10.165 5.645 1.00 0.00 H new ATOM 0 HG23 ILE A 30 11.751 11.145 6.877 1.00 0.00 H new ATOM 0 HD11 ILE A 30 14.038 8.160 9.151 1.00 0.00 H new ATOM 0 HD12 ILE A 30 12.902 7.182 8.192 1.00 0.00 H new ATOM 0 HD13 ILE A 30 13.802 8.510 7.423 1.00 0.00 H new ATOM 458 N THR A 31 9.509 12.000 7.540 1.00 0.00 N ATOM 459 CA THR A 31 9.502 13.467 7.850 1.00 0.00 C ATOM 460 C THR A 31 8.388 13.783 8.857 1.00 0.00 C ATOM 461 O THR A 31 8.553 14.607 9.738 1.00 0.00 O ATOM 462 CB THR A 31 9.243 14.178 6.514 1.00 0.00 C ATOM 463 OG1 THR A 31 8.278 13.454 5.761 1.00 0.00 O ATOM 464 CG2 THR A 31 10.547 14.268 5.719 1.00 0.00 C ATOM 0 H THR A 31 9.263 11.759 6.580 1.00 0.00 H new ATOM 0 HA THR A 31 10.442 13.794 8.294 1.00 0.00 H new ATOM 0 HB THR A 31 8.867 15.182 6.711 1.00 0.00 H new ATOM 0 HG1 THR A 31 8.732 12.792 5.198 1.00 0.00 H new ATOM 0 HG21 THR A 31 10.361 14.773 4.771 1.00 0.00 H new ATOM 0 HG22 THR A 31 11.284 14.831 6.292 1.00 0.00 H new ATOM 0 HG23 THR A 31 10.926 13.264 5.527 1.00 0.00 H new ATOM 472 N LYS A 32 7.263 13.121 8.743 1.00 0.00 N ATOM 473 CA LYS A 32 6.146 13.365 9.706 1.00 0.00 C ATOM 474 C LYS A 32 6.319 12.471 10.939 1.00 0.00 C ATOM 475 O LYS A 32 5.852 12.792 12.013 1.00 0.00 O ATOM 476 CB LYS A 32 4.863 13.006 8.947 1.00 0.00 C ATOM 477 CG LYS A 32 3.638 13.419 9.774 1.00 0.00 C ATOM 478 CD LYS A 32 3.438 14.935 9.684 1.00 0.00 C ATOM 479 CE LYS A 32 2.139 15.327 10.401 1.00 0.00 C ATOM 480 NZ LYS A 32 2.566 15.964 11.682 1.00 0.00 N ATOM 0 H LYS A 32 7.070 12.423 8.025 1.00 0.00 H new ATOM 0 HA LYS A 32 6.121 14.396 10.058 1.00 0.00 H new ATOM 0 HB2 LYS A 32 4.848 13.510 7.981 1.00 0.00 H new ATOM 0 HB3 LYS A 32 4.835 11.935 8.748 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.750 12.904 9.408 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.773 13.122 10.814 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.285 15.451 10.136 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.397 15.245 8.640 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.550 16.017 9.797 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.514 14.453 10.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.778 16.519 12.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.841 15.226 12.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.377 16.591 11.505 1.00 0.00 H new ATOM 494 N TYR A 33 6.991 11.355 10.791 1.00 0.00 N ATOM 495 CA TYR A 33 7.202 10.443 11.955 1.00 0.00 C ATOM 496 C TYR A 33 8.136 11.094 12.984 1.00 0.00 C ATOM 497 O TYR A 33 7.911 11.003 14.174 1.00 0.00 O ATOM 498 CB TYR A 33 7.841 9.177 11.376 1.00 0.00 C ATOM 499 CG TYR A 33 7.955 8.140 12.466 1.00 0.00 C ATOM 500 CD1 TYR A 33 6.842 7.366 12.813 1.00 0.00 C ATOM 501 CD2 TYR A 33 9.170 7.962 13.138 1.00 0.00 C ATOM 502 CE1 TYR A 33 6.942 6.415 13.833 1.00 0.00 C ATOM 503 CE2 TYR A 33 9.271 7.008 14.157 1.00 0.00 C ATOM 504 CZ TYR A 33 8.158 6.234 14.505 1.00 0.00 C ATOM 505 OH TYR A 33 8.256 5.301 15.515 1.00 0.00 O ATOM 0 H TYR A 33 7.402 11.038 9.913 1.00 0.00 H new ATOM 0 HA TYR A 33 6.267 10.223 12.470 1.00 0.00 H new ATOM 0 HB2 TYR A 33 7.237 8.793 10.553 1.00 0.00 H new ATOM 0 HB3 TYR A 33 8.826 9.405 10.969 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.906 7.503 12.293 1.00 0.00 H new ATOM 0 HD2 TYR A 33 10.028 8.560 12.870 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.082 5.820 14.103 1.00 0.00 H new ATOM 0 HE2 TYR A 33 10.208 6.869 14.675 1.00 0.00 H new ATOM 0 HH TYR A 33 9.168 5.303 15.874 1.00 0.00 H new ATOM 515 N VAL A 34 9.178 11.753 12.535 1.00 0.00 N ATOM 516 CA VAL A 34 10.119 12.414 13.496 1.00 0.00 C ATOM 517 C VAL A 34 9.419 13.583 14.215 1.00 0.00 C ATOM 518 O VAL A 34 9.712 13.879 15.359 1.00 0.00 O ATOM 519 CB VAL A 34 11.297 12.909 12.639 1.00 0.00 C ATOM 520 CG1 VAL A 34 10.850 14.060 11.731 1.00 0.00 C ATOM 521 CG2 VAL A 34 12.423 13.397 13.555 1.00 0.00 C ATOM 0 H VAL A 34 9.417 11.862 11.549 1.00 0.00 H new ATOM 0 HA VAL A 34 10.457 11.732 14.276 1.00 0.00 H new ATOM 0 HB VAL A 34 11.652 12.085 12.019 1.00 0.00 H new ATOM 0 HG11 VAL A 34 11.694 14.399 11.131 1.00 0.00 H new ATOM 0 HG12 VAL A 34 10.052 13.715 11.073 1.00 0.00 H new ATOM 0 HG13 VAL A 34 10.485 14.885 12.343 1.00 0.00 H new ATOM 0 HG21 VAL A 34 13.258 13.748 12.949 1.00 0.00 H new ATOM 0 HG22 VAL A 34 12.058 14.214 14.177 1.00 0.00 H new ATOM 0 HG23 VAL A 34 12.756 12.577 14.191 1.00 0.00 H new ATOM 531 N VAL A 35 8.496 14.241 13.555 1.00 0.00 N ATOM 532 CA VAL A 35 7.773 15.383 14.200 1.00 0.00 C ATOM 533 C VAL A 35 6.429 14.913 14.790 1.00 0.00 C ATOM 534 O VAL A 35 5.727 15.678 15.424 1.00 0.00 O ATOM 535 CB VAL A 35 7.549 16.400 13.070 1.00 0.00 C ATOM 536 CG1 VAL A 35 6.757 17.601 13.595 1.00 0.00 C ATOM 537 CG2 VAL A 35 8.903 16.887 12.539 1.00 0.00 C ATOM 0 H VAL A 35 8.212 14.036 12.597 1.00 0.00 H new ATOM 0 HA VAL A 35 8.338 15.812 15.028 1.00 0.00 H new ATOM 0 HB VAL A 35 6.989 15.918 12.268 1.00 0.00 H new ATOM 0 HG11 VAL A 35 6.603 18.317 12.787 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.791 17.264 13.970 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.313 18.079 14.402 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.742 17.608 11.738 1.00 0.00 H new ATOM 0 HG22 VAL A 35 9.461 17.361 13.346 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.470 16.039 12.155 1.00 0.00 H new ATOM 547 N ARG A 36 6.074 13.661 14.584 1.00 0.00 N ATOM 548 CA ARG A 36 4.781 13.119 15.121 1.00 0.00 C ATOM 549 C ARG A 36 3.596 13.986 14.651 1.00 0.00 C ATOM 550 O ARG A 36 3.010 14.680 15.470 1.00 0.00 O ATOM 551 CB ARG A 36 4.931 13.136 16.651 1.00 0.00 C ATOM 552 CG ARG A 36 5.953 12.077 17.082 1.00 0.00 C ATOM 553 CD ARG A 36 5.243 10.741 17.328 1.00 0.00 C ATOM 554 NE ARG A 36 6.308 9.821 17.824 1.00 0.00 N ATOM 555 CZ ARG A 36 6.256 9.358 19.045 1.00 0.00 C ATOM 556 NH1 ARG A 36 6.786 10.045 20.026 1.00 0.00 N ATOM 557 NH2 ARG A 36 5.674 8.212 19.285 1.00 0.00 N ATOM 558 OXT ARG A 36 3.294 13.939 13.469 1.00 0.00 O ATOM 0 H ARG A 36 6.632 12.986 14.061 1.00 0.00 H new ATOM 0 HA ARG A 36 4.576 12.110 14.762 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.253 14.123 16.984 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.968 12.939 17.123 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.715 11.958 16.311 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.465 12.400 17.989 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.443 10.849 18.060 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.789 10.361 16.413 1.00 0.00 H new ATOM 0 HE ARG A 36 7.077 9.553 17.210 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.238 10.939 19.836 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.747 9.686 20.980 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.261 7.680 18.519 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.633 7.850 20.238 1.00 0.00 H new TER 572 ARG A 36