USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 371 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 ARG N :NH3+ 159:sc= -0.103 (180deg=-0.711) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0198) USER MOD Single : A 31 SER OG : rot -69:sc= 1.22 USER MOD Single : A 39 HIS : no HD1:sc= -3.74 K(o=-3.7,f=-4.8!) USER MOD Single : A 41 GLN : amide:sc= -0.0322 K(o=-0.032,f=-0.83) USER MOD Single : A 42 LYS NZ :NH3+ -163:sc=-0.00524 (180deg=-0.12) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0147 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 30.918 6.548 -11.458 1.00 0.00 N ATOM 2 CA ARG A 1 29.990 5.872 -12.408 1.00 0.00 C ATOM 3 C ARG A 1 30.781 4.997 -13.380 1.00 0.00 C ATOM 4 O ARG A 1 30.463 4.931 -14.567 1.00 0.00 O ATOM 5 CB ARG A 1 29.175 6.935 -13.158 1.00 0.00 C ATOM 6 CG ARG A 1 30.092 7.811 -14.019 1.00 0.00 C ATOM 7 CD ARG A 1 29.289 8.978 -14.597 1.00 0.00 C ATOM 8 NE ARG A 1 30.118 9.753 -15.523 1.00 0.00 N ATOM 9 CZ ARG A 1 29.697 10.869 -16.138 1.00 0.00 C ATOM 10 NH1 ARG A 1 28.492 11.356 -15.956 1.00 0.00 N ATOM 11 NH2 ARG A 1 30.511 11.491 -16.946 1.00 0.00 N ATOM 0 H1 ARG A 1 30.451 7.383 -11.051 1.00 0.00 H new ATOM 0 H2 ARG A 1 31.175 5.889 -10.695 1.00 0.00 H new ATOM 0 H3 ARG A 1 31.777 6.844 -11.964 1.00 0.00 H new ATOM 0 HA ARG A 1 29.304 5.226 -11.860 1.00 0.00 H new ATOM 0 HB2 ARG A 1 28.429 6.451 -13.788 1.00 0.00 H new ATOM 0 HB3 ARG A 1 28.634 7.557 -12.444 1.00 0.00 H new ATOM 0 HG2 ARG A 1 30.921 8.188 -13.419 1.00 0.00 H new ATOM 0 HG3 ARG A 1 30.525 7.219 -14.825 1.00 0.00 H new ATOM 0 HD2 ARG A 1 28.407 8.601 -15.115 1.00 0.00 H new ATOM 0 HD3 ARG A 1 28.935 9.620 -13.790 1.00 0.00 H new ATOM 0 HE ARG A 1 31.066 9.427 -15.710 1.00 0.00 H new ATOM 0 HH11 ARG A 1 27.840 10.884 -15.330 1.00 0.00 H new ATOM 0 HH12 ARG A 1 28.207 12.207 -16.441 1.00 0.00 H new ATOM 0 HH21 ARG A 1 31.451 11.128 -17.102 1.00 0.00 H new ATOM 0 HH22 ARG A 1 30.207 12.341 -17.422 1.00 0.00 H new ATOM 25 N SER A 2 31.808 4.325 -12.870 1.00 0.00 N ATOM 26 CA SER A 2 32.636 3.466 -13.708 1.00 0.00 C ATOM 27 C SER A 2 31.792 2.372 -14.354 1.00 0.00 C ATOM 28 O SER A 2 30.797 1.923 -13.785 1.00 0.00 O ATOM 29 CB SER A 2 33.744 2.830 -12.868 1.00 0.00 C ATOM 30 OG SER A 2 33.188 1.798 -12.065 1.00 0.00 O ATOM 0 H SER A 2 32.085 4.358 -11.889 1.00 0.00 H new ATOM 0 HA SER A 2 33.081 4.076 -14.494 1.00 0.00 H new ATOM 0 HB2 SER A 2 34.521 2.424 -13.516 1.00 0.00 H new ATOM 0 HB3 SER A 2 34.216 3.583 -12.237 1.00 0.00 H new ATOM 0 HG SER A 2 33.895 1.386 -11.526 1.00 0.00 H new ATOM 36 N LEU A 3 32.195 1.950 -15.547 1.00 0.00 N ATOM 37 CA LEU A 3 31.476 0.900 -16.262 1.00 0.00 C ATOM 38 C LEU A 3 31.489 -0.413 -15.482 1.00 0.00 C ATOM 39 O LEU A 3 30.512 -1.162 -15.502 1.00 0.00 O ATOM 40 CB LEU A 3 32.107 0.679 -17.639 1.00 0.00 C ATOM 41 CG LEU A 3 32.100 1.986 -18.437 1.00 0.00 C ATOM 42 CD1 LEU A 3 32.825 1.774 -19.767 1.00 0.00 C ATOM 43 CD2 LEU A 3 30.656 2.414 -18.715 1.00 0.00 C ATOM 0 H LEU A 3 33.011 2.316 -16.038 1.00 0.00 H new ATOM 0 HA LEU A 3 30.441 1.223 -16.376 1.00 0.00 H new ATOM 0 HB2 LEU A 3 33.129 0.319 -17.525 1.00 0.00 H new ATOM 0 HB3 LEU A 3 31.556 -0.090 -18.181 1.00 0.00 H new ATOM 0 HG LEU A 3 32.605 2.761 -17.861 1.00 0.00 H new ATOM 0 HD11 LEU A 3 32.821 2.704 -20.336 1.00 0.00 H new ATOM 0 HD12 LEU A 3 33.854 1.470 -19.576 1.00 0.00 H new ATOM 0 HD13 LEU A 3 32.317 0.997 -20.338 1.00 0.00 H new ATOM 0 HD21 LEU A 3 30.655 3.344 -19.283 1.00 0.00 H new ATOM 0 HD22 LEU A 3 30.151 1.638 -19.289 1.00 0.00 H new ATOM 0 HD23 LEU A 3 30.133 2.565 -17.771 1.00 0.00 H new ATOM 55 N LEU A 4 32.595 -0.690 -14.795 1.00 0.00 N ATOM 56 CA LEU A 4 32.726 -1.936 -14.048 1.00 0.00 C ATOM 57 C LEU A 4 31.614 -2.065 -13.010 1.00 0.00 C ATOM 58 O LEU A 4 31.079 -3.152 -12.796 1.00 0.00 O ATOM 59 CB LEU A 4 34.088 -1.982 -13.351 1.00 0.00 C ATOM 60 CG LEU A 4 34.284 -3.348 -12.691 1.00 0.00 C ATOM 61 CD1 LEU A 4 34.483 -4.413 -13.770 1.00 0.00 C ATOM 62 CD2 LEU A 4 35.520 -3.304 -11.788 1.00 0.00 C ATOM 0 H LEU A 4 33.406 -0.074 -14.741 1.00 0.00 H new ATOM 0 HA LEU A 4 32.646 -2.767 -14.748 1.00 0.00 H new ATOM 0 HB2 LEU A 4 34.883 -1.799 -14.074 1.00 0.00 H new ATOM 0 HB3 LEU A 4 34.151 -1.193 -12.602 1.00 0.00 H new ATOM 0 HG LEU A 4 33.404 -3.593 -12.096 1.00 0.00 H new ATOM 0 HD11 LEU A 4 34.623 -5.386 -13.299 1.00 0.00 H new ATOM 0 HD12 LEU A 4 33.606 -4.445 -14.416 1.00 0.00 H new ATOM 0 HD13 LEU A 4 35.363 -4.168 -14.365 1.00 0.00 H new ATOM 0 HD21 LEU A 4 35.661 -4.277 -11.317 1.00 0.00 H new ATOM 0 HD22 LEU A 4 36.398 -3.059 -12.385 1.00 0.00 H new ATOM 0 HD23 LEU A 4 35.381 -2.545 -11.018 1.00 0.00 H new ATOM 74 N GLU A 5 31.269 -0.952 -12.370 1.00 0.00 N ATOM 75 CA GLU A 5 30.221 -0.963 -11.356 1.00 0.00 C ATOM 76 C GLU A 5 28.900 -1.429 -11.960 1.00 0.00 C ATOM 77 O GLU A 5 28.163 -2.200 -11.346 1.00 0.00 O ATOM 78 CB GLU A 5 30.052 0.439 -10.765 1.00 0.00 C ATOM 79 CG GLU A 5 29.052 0.392 -9.606 1.00 0.00 C ATOM 80 CD GLU A 5 29.640 -0.349 -8.405 1.00 0.00 C ATOM 81 OE1 GLU A 5 30.854 -0.383 -8.274 1.00 0.00 O ATOM 82 OE2 GLU A 5 28.861 -0.878 -7.629 1.00 0.00 O ATOM 0 H GLU A 5 31.695 -0.040 -12.533 1.00 0.00 H new ATOM 0 HA GLU A 5 30.510 -1.656 -10.565 1.00 0.00 H new ATOM 0 HB2 GLU A 5 31.013 0.815 -10.414 1.00 0.00 H new ATOM 0 HB3 GLU A 5 29.701 1.128 -11.533 1.00 0.00 H new ATOM 0 HG2 GLU A 5 28.780 1.406 -9.314 1.00 0.00 H new ATOM 0 HG3 GLU A 5 28.137 -0.103 -9.931 1.00 0.00 H new ATOM 89 N GLY A 6 28.606 -0.955 -13.167 1.00 0.00 N ATOM 90 CA GLY A 6 27.388 -1.353 -13.863 1.00 0.00 C ATOM 91 C GLY A 6 26.217 -0.444 -13.505 1.00 0.00 C ATOM 92 O GLY A 6 25.393 -0.116 -14.359 1.00 0.00 O ATOM 0 H GLY A 6 29.192 -0.298 -13.681 1.00 0.00 H new ATOM 0 HA2 GLY A 6 27.557 -1.324 -14.939 1.00 0.00 H new ATOM 0 HA3 GLY A 6 27.142 -2.383 -13.607 1.00 0.00 H new ATOM 96 N GLU A 7 26.144 -0.038 -12.241 1.00 0.00 N ATOM 97 CA GLU A 7 25.058 0.822 -11.783 1.00 0.00 C ATOM 98 C GLU A 7 25.587 1.911 -10.854 1.00 0.00 C ATOM 99 O GLU A 7 26.702 1.815 -10.341 1.00 0.00 O ATOM 100 CB GLU A 7 24.008 -0.011 -11.044 1.00 0.00 C ATOM 101 CG GLU A 7 23.411 -1.050 -12.000 1.00 0.00 C ATOM 102 CD GLU A 7 22.289 -1.855 -11.335 1.00 0.00 C ATOM 103 OE1 GLU A 7 22.116 -1.757 -10.129 1.00 0.00 O ATOM 104 OE2 GLU A 7 21.609 -2.568 -12.055 1.00 0.00 O ATOM 0 H GLU A 7 26.820 -0.289 -11.519 1.00 0.00 H new ATOM 0 HA GLU A 7 24.604 1.293 -12.655 1.00 0.00 H new ATOM 0 HB2 GLU A 7 24.461 -0.509 -10.187 1.00 0.00 H new ATOM 0 HB3 GLU A 7 23.221 0.637 -10.657 1.00 0.00 H new ATOM 0 HG2 GLU A 7 23.023 -0.548 -12.886 1.00 0.00 H new ATOM 0 HG3 GLU A 7 24.195 -1.728 -12.336 1.00 0.00 H new ATOM 111 N ILE A 8 24.777 2.943 -10.642 1.00 0.00 N ATOM 112 CA ILE A 8 25.152 4.027 -9.743 1.00 0.00 C ATOM 113 C ILE A 8 24.986 3.551 -8.297 1.00 0.00 C ATOM 114 O ILE A 8 24.041 2.809 -8.021 1.00 0.00 O ATOM 115 CB ILE A 8 24.248 5.238 -10.008 1.00 0.00 C ATOM 116 CG1 ILE A 8 24.402 5.685 -11.464 1.00 0.00 C ATOM 117 CG2 ILE A 8 24.629 6.399 -9.087 1.00 0.00 C ATOM 118 CD1 ILE A 8 23.335 6.731 -11.795 1.00 0.00 C ATOM 0 H ILE A 8 23.861 3.051 -11.078 1.00 0.00 H new ATOM 0 HA ILE A 8 26.190 4.315 -9.911 1.00 0.00 H new ATOM 0 HB ILE A 8 23.215 4.950 -9.814 1.00 0.00 H new ATOM 0 HG12 ILE A 8 25.396 6.102 -11.624 1.00 0.00 H new ATOM 0 HG13 ILE A 8 24.305 4.828 -12.130 1.00 0.00 H new ATOM 0 HG21 ILE A 8 23.979 7.251 -9.287 1.00 0.00 H new ATOM 0 HG22 ILE A 8 24.515 6.091 -8.048 1.00 0.00 H new ATOM 0 HG23 ILE A 8 25.665 6.683 -9.269 1.00 0.00 H new ATOM 0 HD11 ILE A 8 23.446 7.048 -12.832 1.00 0.00 H new ATOM 0 HD12 ILE A 8 22.345 6.299 -11.652 1.00 0.00 H new ATOM 0 HD13 ILE A 8 23.453 7.592 -11.137 1.00 0.00 H new ATOM 130 N PRO A 9 25.851 3.934 -7.378 1.00 0.00 N ATOM 131 CA PRO A 9 25.711 3.497 -5.960 1.00 0.00 C ATOM 132 C PRO A 9 24.688 4.345 -5.211 1.00 0.00 C ATOM 133 O PRO A 9 25.044 5.224 -4.426 1.00 0.00 O ATOM 134 CB PRO A 9 27.115 3.657 -5.372 1.00 0.00 C ATOM 135 CG PRO A 9 27.841 4.621 -6.252 1.00 0.00 C ATOM 136 CD PRO A 9 27.030 4.805 -7.537 1.00 0.00 C ATOM 0 HA PRO A 9 25.345 2.473 -5.878 1.00 0.00 H new ATOM 0 HB2 PRO A 9 27.066 4.029 -4.348 1.00 0.00 H new ATOM 0 HB3 PRO A 9 27.632 2.698 -5.339 1.00 0.00 H new ATOM 0 HG2 PRO A 9 27.969 5.577 -5.744 1.00 0.00 H new ATOM 0 HG3 PRO A 9 28.838 4.247 -6.483 1.00 0.00 H new ATOM 0 HD2 PRO A 9 26.735 5.846 -7.671 1.00 0.00 H new ATOM 0 HD3 PRO A 9 27.613 4.523 -8.414 1.00 0.00 H new ATOM 144 N PHE A 10 23.414 4.067 -5.468 1.00 0.00 N ATOM 145 CA PHE A 10 22.317 4.794 -4.826 1.00 0.00 C ATOM 146 C PHE A 10 21.659 3.967 -3.712 1.00 0.00 C ATOM 147 O PHE A 10 21.540 4.462 -2.589 1.00 0.00 O ATOM 148 CB PHE A 10 21.274 5.216 -5.877 1.00 0.00 C ATOM 149 CG PHE A 10 20.815 6.651 -5.740 1.00 0.00 C ATOM 150 CD1 PHE A 10 19.735 6.964 -4.906 1.00 0.00 C ATOM 151 CD2 PHE A 10 21.471 7.667 -6.445 1.00 0.00 C ATOM 152 CE1 PHE A 10 19.310 8.291 -4.779 1.00 0.00 C ATOM 153 CE2 PHE A 10 21.046 8.996 -6.318 1.00 0.00 C ATOM 154 CZ PHE A 10 19.965 9.307 -5.484 1.00 0.00 C ATOM 0 H PHE A 10 23.112 3.341 -6.118 1.00 0.00 H new ATOM 0 HA PHE A 10 22.736 5.687 -4.362 1.00 0.00 H new ATOM 0 HB2 PHE A 10 21.696 5.073 -6.872 1.00 0.00 H new ATOM 0 HB3 PHE A 10 20.408 4.558 -5.800 1.00 0.00 H new ATOM 0 HD1 PHE A 10 19.230 6.181 -4.360 1.00 0.00 H new ATOM 0 HD2 PHE A 10 22.305 7.426 -7.087 1.00 0.00 H new ATOM 0 HE1 PHE A 10 18.476 8.531 -4.136 1.00 0.00 H new ATOM 0 HE2 PHE A 10 21.552 9.780 -6.863 1.00 0.00 H new ATOM 0 HZ PHE A 10 19.637 10.331 -5.385 1.00 0.00 H new ATOM 164 N PRO A 11 21.227 2.748 -3.973 1.00 0.00 N ATOM 165 CA PRO A 11 20.513 1.939 -2.937 1.00 0.00 C ATOM 166 C PRO A 11 21.246 1.933 -1.590 1.00 0.00 C ATOM 167 O PRO A 11 22.479 1.994 -1.563 1.00 0.00 O ATOM 168 CB PRO A 11 20.459 0.530 -3.528 1.00 0.00 C ATOM 169 CG PRO A 11 20.523 0.723 -5.004 1.00 0.00 C ATOM 170 CD PRO A 11 21.341 1.992 -5.238 1.00 0.00 C ATOM 0 HA PRO A 11 19.527 2.351 -2.722 1.00 0.00 H new ATOM 0 HB2 PRO A 11 21.292 -0.078 -3.174 1.00 0.00 H new ATOM 0 HB3 PRO A 11 19.543 0.016 -3.237 1.00 0.00 H new ATOM 0 HG2 PRO A 11 20.990 -0.135 -5.488 1.00 0.00 H new ATOM 0 HG3 PRO A 11 19.523 0.822 -5.426 1.00 0.00 H new ATOM 0 HD2 PRO A 11 22.380 1.757 -5.467 1.00 0.00 H new ATOM 0 HD3 PRO A 11 20.951 2.565 -6.079 1.00 0.00 H new ATOM 178 N PRO A 12 20.540 1.827 -0.481 1.00 0.00 N ATOM 179 CA PRO A 12 21.189 1.904 0.864 1.00 0.00 C ATOM 180 C PRO A 12 22.256 0.829 1.047 1.00 0.00 C ATOM 181 O PRO A 12 23.438 1.135 1.186 1.00 0.00 O ATOM 182 CB PRO A 12 20.040 1.718 1.865 1.00 0.00 C ATOM 183 CG PRO A 12 18.928 1.101 1.090 1.00 0.00 C ATOM 184 CD PRO A 12 19.088 1.590 -0.346 1.00 0.00 C ATOM 0 HA PRO A 12 21.711 2.851 1.002 1.00 0.00 H new ATOM 0 HB2 PRO A 12 20.342 1.078 2.694 1.00 0.00 H new ATOM 0 HB3 PRO A 12 19.736 2.673 2.294 1.00 0.00 H new ATOM 0 HG2 PRO A 12 18.976 0.013 1.138 1.00 0.00 H new ATOM 0 HG3 PRO A 12 17.960 1.395 1.496 1.00 0.00 H new ATOM 0 HD2 PRO A 12 18.736 0.848 -1.062 1.00 0.00 H new ATOM 0 HD3 PRO A 12 18.516 2.501 -0.524 1.00 0.00 H new ATOM 192 N THR A 13 21.839 -0.431 1.017 1.00 0.00 N ATOM 193 CA THR A 13 22.770 -1.538 1.236 1.00 0.00 C ATOM 194 C THR A 13 23.922 -1.553 0.222 1.00 0.00 C ATOM 195 O THR A 13 24.966 -2.145 0.486 1.00 0.00 O ATOM 196 CB THR A 13 22.019 -2.870 1.161 1.00 0.00 C ATOM 197 OG1 THR A 13 21.471 -3.028 -0.140 1.00 0.00 O ATOM 198 CG2 THR A 13 20.895 -2.891 2.198 1.00 0.00 C ATOM 0 H THR A 13 20.874 -0.713 0.845 1.00 0.00 H new ATOM 0 HA THR A 13 23.204 -1.396 2.226 1.00 0.00 H new ATOM 0 HB THR A 13 22.710 -3.687 1.368 1.00 0.00 H new ATOM 0 HG1 THR A 13 20.991 -3.881 -0.191 1.00 0.00 H new ATOM 0 HG21 THR A 13 20.364 -3.841 2.140 1.00 0.00 H new ATOM 0 HG22 THR A 13 21.318 -2.772 3.196 1.00 0.00 H new ATOM 0 HG23 THR A 13 20.201 -2.075 1.999 1.00 0.00 H new ATOM 206 N SER A 14 23.778 -0.846 -0.897 1.00 0.00 N ATOM 207 CA SER A 14 24.754 -0.941 -1.978 1.00 0.00 C ATOM 208 C SER A 14 25.956 -0.069 -1.652 1.00 0.00 C ATOM 209 O SER A 14 27.099 -0.525 -1.641 1.00 0.00 O ATOM 210 CB SER A 14 24.129 -0.490 -3.298 1.00 0.00 C ATOM 211 OG SER A 14 25.056 -0.711 -4.353 1.00 0.00 O ATOM 0 H SER A 14 23.003 -0.208 -1.077 1.00 0.00 H new ATOM 0 HA SER A 14 25.073 -1.978 -2.080 1.00 0.00 H new ATOM 0 HB2 SER A 14 23.208 -1.042 -3.485 1.00 0.00 H new ATOM 0 HB3 SER A 14 23.863 0.566 -3.246 1.00 0.00 H new ATOM 0 HG SER A 14 24.659 -0.425 -5.202 1.00 0.00 H new ATOM 217 N ILE A 15 25.671 1.186 -1.338 1.00 0.00 N ATOM 218 CA ILE A 15 26.717 2.103 -0.905 1.00 0.00 C ATOM 219 C ILE A 15 27.310 1.636 0.425 1.00 0.00 C ATOM 220 O ILE A 15 28.513 1.759 0.650 1.00 0.00 O ATOM 221 CB ILE A 15 26.163 3.528 -0.787 1.00 0.00 C ATOM 222 CG1 ILE A 15 27.303 4.489 -0.443 1.00 0.00 C ATOM 223 CG2 ILE A 15 25.083 3.602 0.296 1.00 0.00 C ATOM 224 CD1 ILE A 15 26.851 5.929 -0.692 1.00 0.00 C ATOM 0 H ILE A 15 24.735 1.590 -1.374 1.00 0.00 H new ATOM 0 HA ILE A 15 27.512 2.109 -1.651 1.00 0.00 H new ATOM 0 HB ILE A 15 25.716 3.810 -1.740 1.00 0.00 H new ATOM 0 HG12 ILE A 15 27.596 4.364 0.599 1.00 0.00 H new ATOM 0 HG13 ILE A 15 28.180 4.262 -1.050 1.00 0.00 H new ATOM 0 HG21 ILE A 15 24.704 4.622 0.363 1.00 0.00 H new ATOM 0 HG22 ILE A 15 24.266 2.927 0.042 1.00 0.00 H new ATOM 0 HG23 ILE A 15 25.509 3.310 1.256 1.00 0.00 H new ATOM 0 HD11 ILE A 15 27.664 6.613 -0.447 1.00 0.00 H new ATOM 0 HD12 ILE A 15 26.580 6.049 -1.741 1.00 0.00 H new ATOM 0 HD13 ILE A 15 25.987 6.153 -0.066 1.00 0.00 H new ATOM 236 N LEU A 16 26.472 1.060 1.289 1.00 0.00 N ATOM 237 CA LEU A 16 26.954 0.538 2.561 1.00 0.00 C ATOM 238 C LEU A 16 27.933 -0.612 2.337 1.00 0.00 C ATOM 239 O LEU A 16 28.935 -0.726 3.042 1.00 0.00 O ATOM 240 CB LEU A 16 25.778 0.057 3.415 1.00 0.00 C ATOM 241 CG LEU A 16 24.925 1.256 3.832 1.00 0.00 C ATOM 242 CD1 LEU A 16 23.616 0.762 4.453 1.00 0.00 C ATOM 243 CD2 LEU A 16 25.690 2.090 4.862 1.00 0.00 C ATOM 0 H LEU A 16 25.471 0.946 1.131 1.00 0.00 H new ATOM 0 HA LEU A 16 27.473 1.341 3.084 1.00 0.00 H new ATOM 0 HB2 LEU A 16 25.174 -0.654 2.852 1.00 0.00 H new ATOM 0 HB3 LEU A 16 26.146 -0.465 4.298 1.00 0.00 H new ATOM 0 HG LEU A 16 24.705 1.866 2.956 1.00 0.00 H new ATOM 0 HD11 LEU A 16 23.009 1.617 4.750 1.00 0.00 H new ATOM 0 HD12 LEU A 16 23.070 0.165 3.723 1.00 0.00 H new ATOM 0 HD13 LEU A 16 23.836 0.152 5.329 1.00 0.00 H new ATOM 0 HD21 LEU A 16 25.084 2.945 5.160 1.00 0.00 H new ATOM 0 HD22 LEU A 16 25.908 1.477 5.737 1.00 0.00 H new ATOM 0 HD23 LEU A 16 26.624 2.443 4.424 1.00 0.00 H new ATOM 255 N LEU A 17 27.662 -1.446 1.335 1.00 0.00 N ATOM 256 CA LEU A 17 28.509 -2.609 1.081 1.00 0.00 C ATOM 257 C LEU A 17 29.895 -2.175 0.622 1.00 0.00 C ATOM 258 O LEU A 17 30.909 -2.677 1.107 1.00 0.00 O ATOM 259 CB LEU A 17 27.872 -3.511 0.022 1.00 0.00 C ATOM 260 CG LEU A 17 26.788 -4.375 0.671 1.00 0.00 C ATOM 261 CD1 LEU A 17 25.798 -4.844 -0.396 1.00 0.00 C ATOM 262 CD2 LEU A 17 27.441 -5.593 1.328 1.00 0.00 C ATOM 0 H LEU A 17 26.875 -1.341 0.695 1.00 0.00 H new ATOM 0 HA LEU A 17 28.607 -3.167 2.012 1.00 0.00 H new ATOM 0 HB2 LEU A 17 27.440 -2.905 -0.775 1.00 0.00 H new ATOM 0 HB3 LEU A 17 28.632 -4.145 -0.435 1.00 0.00 H new ATOM 0 HG LEU A 17 26.258 -3.790 1.423 1.00 0.00 H new ATOM 0 HD11 LEU A 17 25.027 -5.459 0.068 1.00 0.00 H new ATOM 0 HD12 LEU A 17 25.335 -3.978 -0.869 1.00 0.00 H new ATOM 0 HD13 LEU A 17 26.325 -5.430 -1.149 1.00 0.00 H new ATOM 0 HD21 LEU A 17 26.673 -6.212 1.792 1.00 0.00 H new ATOM 0 HD22 LEU A 17 27.968 -6.175 0.572 1.00 0.00 H new ATOM 0 HD23 LEU A 17 28.148 -5.261 2.089 1.00 0.00 H new ATOM 274 N LEU A 18 29.933 -1.218 -0.296 1.00 0.00 N ATOM 275 CA LEU A 18 31.203 -0.698 -0.786 1.00 0.00 C ATOM 276 C LEU A 18 32.004 -0.110 0.370 1.00 0.00 C ATOM 277 O LEU A 18 33.206 -0.348 0.493 1.00 0.00 O ATOM 278 CB LEU A 18 30.957 0.381 -1.844 1.00 0.00 C ATOM 279 CG LEU A 18 30.146 -0.199 -3.005 1.00 0.00 C ATOM 280 CD1 LEU A 18 29.821 0.914 -4.003 1.00 0.00 C ATOM 281 CD2 LEU A 18 30.960 -1.286 -3.714 1.00 0.00 C ATOM 0 H LEU A 18 29.107 -0.789 -0.713 1.00 0.00 H new ATOM 0 HA LEU A 18 31.767 -1.515 -1.235 1.00 0.00 H new ATOM 0 HB2 LEU A 18 30.423 1.221 -1.401 1.00 0.00 H new ATOM 0 HB3 LEU A 18 31.909 0.766 -2.211 1.00 0.00 H new ATOM 0 HG LEU A 18 29.223 -0.631 -2.617 1.00 0.00 H new ATOM 0 HD11 LEU A 18 29.243 0.503 -4.831 1.00 0.00 H new ATOM 0 HD12 LEU A 18 29.240 1.691 -3.505 1.00 0.00 H new ATOM 0 HD13 LEU A 18 30.748 1.342 -4.385 1.00 0.00 H new ATOM 0 HD21 LEU A 18 30.378 -1.696 -4.540 1.00 0.00 H new ATOM 0 HD22 LEU A 18 31.884 -0.855 -4.100 1.00 0.00 H new ATOM 0 HD23 LEU A 18 31.198 -2.081 -3.008 1.00 0.00 H new ATOM 293 N LEU A 19 31.323 0.631 1.238 1.00 0.00 N ATOM 294 CA LEU A 19 31.977 1.224 2.397 1.00 0.00 C ATOM 295 C LEU A 19 32.577 0.139 3.287 1.00 0.00 C ATOM 296 O LEU A 19 33.692 0.281 3.789 1.00 0.00 O ATOM 297 CB LEU A 19 30.966 2.046 3.198 1.00 0.00 C ATOM 298 CG LEU A 19 31.683 2.785 4.330 1.00 0.00 C ATOM 299 CD1 LEU A 19 32.545 3.905 3.745 1.00 0.00 C ATOM 300 CD2 LEU A 19 30.645 3.386 5.280 1.00 0.00 C ATOM 0 H LEU A 19 30.326 0.834 1.162 1.00 0.00 H new ATOM 0 HA LEU A 19 32.780 1.874 2.048 1.00 0.00 H new ATOM 0 HB2 LEU A 19 30.465 2.760 2.545 1.00 0.00 H new ATOM 0 HB3 LEU A 19 30.195 1.393 3.608 1.00 0.00 H new ATOM 0 HG LEU A 19 32.318 2.087 4.875 1.00 0.00 H new ATOM 0 HD11 LEU A 19 33.055 4.431 4.552 1.00 0.00 H new ATOM 0 HD12 LEU A 19 33.283 3.479 3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 19 31.912 4.605 3.200 1.00 0.00 H new ATOM 0 HD21 LEU A 19 31.153 3.913 6.088 1.00 0.00 H new ATOM 0 HD22 LEU A 19 30.012 4.084 4.733 1.00 0.00 H new ATOM 0 HD23 LEU A 19 30.030 2.589 5.698 1.00 0.00 H new ATOM 312 N ALA A 20 31.850 -0.961 3.452 1.00 0.00 N ATOM 313 CA ALA A 20 32.298 -2.030 4.338 1.00 0.00 C ATOM 314 C ALA A 20 33.617 -2.619 3.848 1.00 0.00 C ATOM 315 O ALA A 20 34.569 -2.765 4.615 1.00 0.00 O ATOM 316 CB ALA A 20 31.239 -3.132 4.404 1.00 0.00 C ATOM 0 H ALA A 20 30.958 -1.135 2.990 1.00 0.00 H new ATOM 0 HA ALA A 20 32.449 -1.610 5.332 1.00 0.00 H new ATOM 0 HB1 ALA A 20 31.581 -3.926 5.067 1.00 0.00 H new ATOM 0 HB2 ALA A 20 30.306 -2.717 4.785 1.00 0.00 H new ATOM 0 HB3 ALA A 20 31.074 -3.539 3.406 1.00 0.00 H new ATOM 322 N CYS A 21 33.682 -2.910 2.555 1.00 0.00 N ATOM 323 CA CYS A 21 34.859 -3.559 1.991 1.00 0.00 C ATOM 324 C CYS A 21 36.089 -2.672 2.144 1.00 0.00 C ATOM 325 O CYS A 21 37.115 -3.101 2.671 1.00 0.00 O ATOM 326 CB CYS A 21 34.623 -3.869 0.509 1.00 0.00 C ATOM 327 SG CYS A 21 35.518 -5.376 0.054 1.00 0.00 S ATOM 0 H CYS A 21 32.942 -2.709 1.883 1.00 0.00 H new ATOM 0 HA CYS A 21 35.033 -4.489 2.532 1.00 0.00 H new ATOM 0 HB2 CYS A 21 33.557 -3.995 0.319 1.00 0.00 H new ATOM 0 HB3 CYS A 21 34.960 -3.034 -0.106 1.00 0.00 H new ATOM 0 HG CYS A 21 35.315 -5.639 -1.203 1.00 0.00 H new ATOM 333 N ILE A 22 35.967 -1.424 1.708 1.00 0.00 N ATOM 334 CA ILE A 22 37.112 -0.517 1.711 1.00 0.00 C ATOM 335 C ILE A 22 37.626 -0.266 3.128 1.00 0.00 C ATOM 336 O ILE A 22 38.834 -0.156 3.341 1.00 0.00 O ATOM 337 CB ILE A 22 36.743 0.804 1.023 1.00 0.00 C ATOM 338 CG1 ILE A 22 37.993 1.679 0.902 1.00 0.00 C ATOM 339 CG2 ILE A 22 35.670 1.550 1.819 1.00 0.00 C ATOM 340 CD1 ILE A 22 37.727 2.819 -0.084 1.00 0.00 C ATOM 0 H ILE A 22 35.101 -1.020 1.352 1.00 0.00 H new ATOM 0 HA ILE A 22 37.919 -0.991 1.152 1.00 0.00 H new ATOM 0 HB ILE A 22 36.346 0.583 0.032 1.00 0.00 H new ATOM 0 HG12 ILE A 22 38.262 2.084 1.878 1.00 0.00 H new ATOM 0 HG13 ILE A 22 38.837 1.080 0.562 1.00 0.00 H new ATOM 0 HG21 ILE A 22 35.424 2.483 1.312 1.00 0.00 H new ATOM 0 HG22 ILE A 22 34.776 0.931 1.893 1.00 0.00 H new ATOM 0 HG23 ILE A 22 36.045 1.768 2.819 1.00 0.00 H new ATOM 0 HD11 ILE A 22 38.618 3.441 -0.169 1.00 0.00 H new ATOM 0 HD12 ILE A 22 37.479 2.404 -1.061 1.00 0.00 H new ATOM 0 HD13 ILE A 22 36.895 3.424 0.275 1.00 0.00 H new ATOM 352 N PHE A 23 36.720 -0.209 4.101 1.00 0.00 N ATOM 353 CA PHE A 23 37.119 0.072 5.477 1.00 0.00 C ATOM 354 C PHE A 23 37.978 -1.060 6.029 1.00 0.00 C ATOM 355 O PHE A 23 39.093 -0.834 6.501 1.00 0.00 O ATOM 356 CB PHE A 23 35.880 0.257 6.356 1.00 0.00 C ATOM 357 CG PHE A 23 36.197 0.784 7.735 1.00 0.00 C ATOM 358 CD1 PHE A 23 36.322 2.164 7.942 1.00 0.00 C ATOM 359 CD2 PHE A 23 36.366 -0.102 8.804 1.00 0.00 C ATOM 360 CE1 PHE A 23 36.615 2.656 9.219 1.00 0.00 C ATOM 361 CE2 PHE A 23 36.659 0.390 10.083 1.00 0.00 C ATOM 362 CZ PHE A 23 36.784 1.769 10.290 1.00 0.00 C ATOM 0 H PHE A 23 35.719 -0.351 3.966 1.00 0.00 H new ATOM 0 HA PHE A 23 37.705 0.991 5.484 1.00 0.00 H new ATOM 0 HB2 PHE A 23 35.192 0.943 5.862 1.00 0.00 H new ATOM 0 HB3 PHE A 23 35.364 -0.699 6.450 1.00 0.00 H new ATOM 0 HD1 PHE A 23 36.192 2.848 7.116 1.00 0.00 H new ATOM 0 HD2 PHE A 23 36.271 -1.166 8.644 1.00 0.00 H new ATOM 0 HE1 PHE A 23 36.711 3.720 9.379 1.00 0.00 H new ATOM 0 HE2 PHE A 23 36.788 -0.294 10.909 1.00 0.00 H new ATOM 0 HZ PHE A 23 37.011 2.149 11.275 1.00 0.00 H new ATOM 372 N LEU A 24 37.477 -2.287 5.922 1.00 0.00 N ATOM 373 CA LEU A 24 38.175 -3.430 6.500 1.00 0.00 C ATOM 374 C LEU A 24 39.569 -3.561 5.894 1.00 0.00 C ATOM 375 O LEU A 24 40.558 -3.711 6.612 1.00 0.00 O ATOM 376 CB LEU A 24 37.370 -4.720 6.256 1.00 0.00 C ATOM 377 CG LEU A 24 36.380 -5.010 7.399 1.00 0.00 C ATOM 378 CD1 LEU A 24 37.142 -5.330 8.688 1.00 0.00 C ATOM 379 CD2 LEU A 24 35.446 -3.818 7.640 1.00 0.00 C ATOM 0 H LEU A 24 36.603 -2.514 5.448 1.00 0.00 H new ATOM 0 HA LEU A 24 38.274 -3.272 7.574 1.00 0.00 H new ATOM 0 HB2 LEU A 24 36.823 -4.634 5.317 1.00 0.00 H new ATOM 0 HB3 LEU A 24 38.056 -5.560 6.149 1.00 0.00 H new ATOM 0 HG LEU A 24 35.776 -5.869 7.108 1.00 0.00 H new ATOM 0 HD11 LEU A 24 36.432 -5.533 9.490 1.00 0.00 H new ATOM 0 HD12 LEU A 24 37.772 -6.205 8.530 1.00 0.00 H new ATOM 0 HD13 LEU A 24 37.765 -4.479 8.963 1.00 0.00 H new ATOM 0 HD21 LEU A 24 34.759 -4.053 8.453 1.00 0.00 H new ATOM 0 HD22 LEU A 24 36.036 -2.941 7.906 1.00 0.00 H new ATOM 0 HD23 LEU A 24 34.878 -3.611 6.733 1.00 0.00 H new ATOM 391 N ILE A 25 39.645 -3.473 4.570 1.00 0.00 N ATOM 392 CA ILE A 25 40.920 -3.656 3.885 1.00 0.00 C ATOM 393 C ILE A 25 41.915 -2.555 4.252 1.00 0.00 C ATOM 394 O ILE A 25 43.106 -2.826 4.404 1.00 0.00 O ATOM 395 CB ILE A 25 40.708 -3.719 2.367 1.00 0.00 C ATOM 396 CG1 ILE A 25 42.034 -4.053 1.681 1.00 0.00 C ATOM 397 CG2 ILE A 25 40.177 -2.384 1.839 1.00 0.00 C ATOM 398 CD1 ILE A 25 41.768 -4.480 0.235 1.00 0.00 C ATOM 0 H ILE A 25 38.853 -3.279 3.958 1.00 0.00 H new ATOM 0 HA ILE A 25 41.346 -4.604 4.215 1.00 0.00 H new ATOM 0 HB ILE A 25 39.974 -4.494 2.148 1.00 0.00 H new ATOM 0 HG12 ILE A 25 42.694 -3.186 1.700 1.00 0.00 H new ATOM 0 HG13 ILE A 25 42.543 -4.852 2.220 1.00 0.00 H new ATOM 0 HG21 ILE A 25 40.034 -2.450 0.761 1.00 0.00 H new ATOM 0 HG22 ILE A 25 39.225 -2.156 2.318 1.00 0.00 H new ATOM 0 HG23 ILE A 25 40.894 -1.594 2.062 1.00 0.00 H new ATOM 0 HD11 ILE A 25 42.713 -4.718 -0.254 1.00 0.00 H new ATOM 0 HD12 ILE A 25 41.124 -5.360 0.228 1.00 0.00 H new ATOM 0 HD13 ILE A 25 41.277 -3.667 -0.300 1.00 0.00 H new ATOM 410 N LYS A 26 41.433 -1.327 4.428 1.00 0.00 N ATOM 411 CA LYS A 26 42.318 -0.212 4.749 1.00 0.00 C ATOM 412 C LYS A 26 43.042 -0.454 6.071 1.00 0.00 C ATOM 413 O LYS A 26 44.243 -0.208 6.185 1.00 0.00 O ATOM 414 CB LYS A 26 41.510 1.085 4.837 1.00 0.00 C ATOM 415 CG LYS A 26 42.460 2.272 5.018 1.00 0.00 C ATOM 416 CD LYS A 26 41.647 3.556 5.188 1.00 0.00 C ATOM 417 CE LYS A 26 42.591 4.760 5.209 1.00 0.00 C ATOM 418 NZ LYS A 26 42.978 5.109 3.812 1.00 0.00 N ATOM 0 H LYS A 26 40.446 -1.081 4.355 1.00 0.00 H new ATOM 0 HA LYS A 26 43.062 -0.127 3.957 1.00 0.00 H new ATOM 0 HB2 LYS A 26 40.916 1.217 3.933 1.00 0.00 H new ATOM 0 HB3 LYS A 26 40.812 1.034 5.673 1.00 0.00 H new ATOM 0 HG2 LYS A 26 43.095 2.113 5.890 1.00 0.00 H new ATOM 0 HG3 LYS A 26 43.119 2.358 4.154 1.00 0.00 H new ATOM 0 HD2 LYS A 26 40.931 3.656 4.372 1.00 0.00 H new ATOM 0 HD3 LYS A 26 41.072 3.515 6.113 1.00 0.00 H new ATOM 0 HE2 LYS A 26 42.104 5.610 5.686 1.00 0.00 H new ATOM 0 HE3 LYS A 26 43.479 4.530 5.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 43.536 5.986 3.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 43.547 4.338 3.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 42.121 5.246 3.238 1.00 0.00 H new ATOM 432 N ILE A 27 42.304 -0.937 7.064 1.00 0.00 N ATOM 433 CA ILE A 27 42.890 -1.185 8.380 1.00 0.00 C ATOM 434 C ILE A 27 43.922 -2.310 8.316 1.00 0.00 C ATOM 435 O ILE A 27 45.026 -2.178 8.844 1.00 0.00 O ATOM 436 CB ILE A 27 41.791 -1.542 9.392 1.00 0.00 C ATOM 437 CG1 ILE A 27 40.704 -0.456 9.421 1.00 0.00 C ATOM 438 CG2 ILE A 27 42.397 -1.687 10.791 1.00 0.00 C ATOM 439 CD1 ILE A 27 41.291 0.918 9.774 1.00 0.00 C ATOM 0 H ILE A 27 41.312 -1.163 6.988 1.00 0.00 H new ATOM 0 HA ILE A 27 43.393 -0.274 8.703 1.00 0.00 H new ATOM 0 HB ILE A 27 41.340 -2.486 9.086 1.00 0.00 H new ATOM 0 HG12 ILE A 27 40.214 -0.404 8.449 1.00 0.00 H new ATOM 0 HG13 ILE A 27 39.939 -0.724 10.150 1.00 0.00 H new ATOM 0 HG21 ILE A 27 41.612 -1.940 11.503 1.00 0.00 H new ATOM 0 HG22 ILE A 27 43.148 -2.477 10.782 1.00 0.00 H new ATOM 0 HG23 ILE A 27 42.864 -0.747 11.085 1.00 0.00 H new ATOM 0 HD11 ILE A 27 40.494 1.662 9.785 1.00 0.00 H new ATOM 0 HD12 ILE A 27 41.759 0.872 10.757 1.00 0.00 H new ATOM 0 HD13 ILE A 27 42.037 1.197 9.030 1.00 0.00 H new ATOM 451 N LEU A 28 43.559 -3.413 7.671 1.00 0.00 N ATOM 452 CA LEU A 28 44.447 -4.569 7.599 1.00 0.00 C ATOM 453 C LEU A 28 45.764 -4.205 6.918 1.00 0.00 C ATOM 454 O LEU A 28 46.834 -4.643 7.338 1.00 0.00 O ATOM 455 CB LEU A 28 43.765 -5.701 6.827 1.00 0.00 C ATOM 456 CG LEU A 28 44.630 -6.962 6.882 1.00 0.00 C ATOM 457 CD1 LEU A 28 44.600 -7.540 8.297 1.00 0.00 C ATOM 458 CD2 LEU A 28 44.082 -7.997 5.898 1.00 0.00 C ATOM 0 H LEU A 28 42.665 -3.532 7.194 1.00 0.00 H new ATOM 0 HA LEU A 28 44.663 -4.897 8.616 1.00 0.00 H new ATOM 0 HB2 LEU A 28 42.783 -5.904 7.254 1.00 0.00 H new ATOM 0 HB3 LEU A 28 43.607 -5.403 5.791 1.00 0.00 H new ATOM 0 HG LEU A 28 45.656 -6.711 6.614 1.00 0.00 H new ATOM 0 HD11 LEU A 28 45.216 -8.438 8.336 1.00 0.00 H new ATOM 0 HD12 LEU A 28 44.988 -6.803 9.000 1.00 0.00 H new ATOM 0 HD13 LEU A 28 43.574 -7.792 8.566 1.00 0.00 H new ATOM 0 HD21 LEU A 28 44.697 -8.896 5.936 1.00 0.00 H new ATOM 0 HD22 LEU A 28 43.056 -8.248 6.167 1.00 0.00 H new ATOM 0 HD23 LEU A 28 44.102 -7.586 4.889 1.00 0.00 H new ATOM 470 N ALA A 29 45.674 -3.401 5.864 1.00 0.00 N ATOM 471 CA ALA A 29 46.859 -2.990 5.119 1.00 0.00 C ATOM 472 C ALA A 29 47.833 -2.203 5.995 1.00 0.00 C ATOM 473 O ALA A 29 49.046 -2.289 5.806 1.00 0.00 O ATOM 474 CB ALA A 29 46.446 -2.130 3.922 1.00 0.00 C ATOM 0 H ALA A 29 44.797 -3.022 5.507 1.00 0.00 H new ATOM 0 HA ALA A 29 47.364 -3.893 4.776 1.00 0.00 H new ATOM 0 HB1 ALA A 29 47.335 -1.826 3.369 1.00 0.00 H new ATOM 0 HB2 ALA A 29 45.791 -2.707 3.268 1.00 0.00 H new ATOM 0 HB3 ALA A 29 45.917 -1.245 4.275 1.00 0.00 H new ATOM 480 N ALA A 30 47.308 -1.442 6.952 1.00 0.00 N ATOM 481 CA ALA A 30 48.155 -0.616 7.805 1.00 0.00 C ATOM 482 C ALA A 30 49.201 -1.470 8.517 1.00 0.00 C ATOM 483 O ALA A 30 50.377 -1.108 8.573 1.00 0.00 O ATOM 484 CB ALA A 30 47.299 0.114 8.841 1.00 0.00 C ATOM 0 H ALA A 30 46.310 -1.381 7.154 1.00 0.00 H new ATOM 0 HA ALA A 30 48.667 0.113 7.177 1.00 0.00 H new ATOM 0 HB1 ALA A 30 47.939 0.729 9.474 1.00 0.00 H new ATOM 0 HB2 ALA A 30 46.575 0.750 8.332 1.00 0.00 H new ATOM 0 HB3 ALA A 30 46.772 -0.615 9.457 1.00 0.00 H new ATOM 490 N SER A 31 48.777 -2.621 9.030 1.00 0.00 N ATOM 491 CA SER A 31 49.703 -3.518 9.715 1.00 0.00 C ATOM 492 C SER A 31 50.836 -3.935 8.780 1.00 0.00 C ATOM 493 O SER A 31 51.996 -4.002 9.186 1.00 0.00 O ATOM 494 CB SER A 31 48.958 -4.761 10.203 1.00 0.00 C ATOM 495 OG SER A 31 48.536 -5.524 9.082 1.00 0.00 O ATOM 0 H SER A 31 47.813 -2.952 8.986 1.00 0.00 H new ATOM 0 HA SER A 31 50.128 -2.990 10.569 1.00 0.00 H new ATOM 0 HB2 SER A 31 49.606 -5.360 10.842 1.00 0.00 H new ATOM 0 HB3 SER A 31 48.097 -4.470 10.805 1.00 0.00 H new ATOM 0 HG SER A 31 47.834 -5.038 8.601 1.00 0.00 H new ATOM 501 N ALA A 32 50.502 -4.176 7.515 1.00 0.00 N ATOM 502 CA ALA A 32 51.504 -4.586 6.539 1.00 0.00 C ATOM 503 C ALA A 32 52.546 -3.489 6.342 1.00 0.00 C ATOM 504 O ALA A 32 53.744 -3.761 6.315 1.00 0.00 O ATOM 505 CB ALA A 32 50.832 -4.899 5.201 1.00 0.00 C ATOM 0 H ALA A 32 49.555 -4.095 7.146 1.00 0.00 H new ATOM 0 HA ALA A 32 52.002 -5.480 6.914 1.00 0.00 H new ATOM 0 HB1 ALA A 32 51.587 -5.205 4.477 1.00 0.00 H new ATOM 0 HB2 ALA A 32 50.111 -5.706 5.336 1.00 0.00 H new ATOM 0 HB3 ALA A 32 50.318 -4.010 4.835 1.00 0.00 H new ATOM 511 N LEU A 33 52.087 -2.247 6.227 1.00 0.00 N ATOM 512 CA LEU A 33 52.996 -1.131 5.983 1.00 0.00 C ATOM 513 C LEU A 33 54.004 -0.987 7.120 1.00 0.00 C ATOM 514 O LEU A 33 55.178 -0.702 6.884 1.00 0.00 O ATOM 515 CB LEU A 33 52.199 0.169 5.841 1.00 0.00 C ATOM 516 CG LEU A 33 51.188 0.040 4.697 1.00 0.00 C ATOM 517 CD1 LEU A 33 50.325 1.302 4.638 1.00 0.00 C ATOM 518 CD2 LEU A 33 51.929 -0.124 3.368 1.00 0.00 C ATOM 0 H LEU A 33 51.103 -1.989 6.298 1.00 0.00 H new ATOM 0 HA LEU A 33 53.540 -1.332 5.060 1.00 0.00 H new ATOM 0 HB2 LEU A 33 51.680 0.391 6.773 1.00 0.00 H new ATOM 0 HB3 LEU A 33 52.876 1.001 5.647 1.00 0.00 H new ATOM 0 HG LEU A 33 50.557 -0.832 4.871 1.00 0.00 H new ATOM 0 HD11 LEU A 33 49.605 1.213 3.825 1.00 0.00 H new ATOM 0 HD12 LEU A 33 49.793 1.424 5.582 1.00 0.00 H new ATOM 0 HD13 LEU A 33 50.961 2.170 4.465 1.00 0.00 H new ATOM 0 HD21 LEU A 33 51.206 -0.215 2.557 1.00 0.00 H new ATOM 0 HD22 LEU A 33 52.561 0.747 3.194 1.00 0.00 H new ATOM 0 HD23 LEU A 33 52.548 -1.020 3.405 1.00 0.00 H new ATOM 530 N TRP A 34 53.542 -1.184 8.350 1.00 0.00 N ATOM 531 CA TRP A 34 54.417 -1.056 9.511 1.00 0.00 C ATOM 532 C TRP A 34 55.522 -2.106 9.481 1.00 0.00 C ATOM 533 O TRP A 34 56.690 -1.798 9.718 1.00 0.00 O ATOM 534 CB TRP A 34 53.604 -1.204 10.798 1.00 0.00 C ATOM 535 CG TRP A 34 54.382 -0.874 12.031 1.00 0.00 C ATOM 536 CD1 TRP A 34 54.844 -1.778 12.925 1.00 0.00 C ATOM 537 CD2 TRP A 34 54.798 0.435 12.521 1.00 0.00 C ATOM 538 NE1 TRP A 34 55.517 -1.110 13.931 1.00 0.00 N ATOM 539 CE2 TRP A 34 55.516 0.255 13.728 1.00 0.00 C ATOM 540 CE3 TRP A 34 54.624 1.745 12.042 1.00 0.00 C ATOM 541 CZ2 TRP A 34 56.043 1.341 14.434 1.00 0.00 C ATOM 542 CZ3 TRP A 34 55.151 2.836 12.747 1.00 0.00 C ATOM 543 CH2 TRP A 34 55.859 2.637 13.940 1.00 0.00 C ATOM 0 H TRP A 34 52.577 -1.431 8.569 1.00 0.00 H new ATOM 0 HA TRP A 34 54.877 -0.068 9.481 1.00 0.00 H new ATOM 0 HB2 TRP A 34 52.730 -0.555 10.744 1.00 0.00 H new ATOM 0 HB3 TRP A 34 53.237 -2.228 10.872 1.00 0.00 H new ATOM 0 HD1 TRP A 34 54.709 -2.848 12.863 1.00 0.00 H new ATOM 0 HE1 TRP A 34 55.960 -1.570 14.726 1.00 0.00 H new ATOM 0 HE3 TRP A 34 54.080 1.912 11.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 56.587 1.181 15.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 55.010 3.837 12.368 1.00 0.00 H new ATOM 0 HH2 TRP A 34 56.262 3.483 14.477 1.00 0.00 H new ATOM 554 N ALA A 35 55.147 -3.346 9.189 1.00 0.00 N ATOM 555 CA ALA A 35 56.117 -4.437 9.146 1.00 0.00 C ATOM 556 C ALA A 35 57.168 -4.187 8.066 1.00 0.00 C ATOM 557 O ALA A 35 58.356 -4.437 8.271 1.00 0.00 O ATOM 558 CB ALA A 35 55.404 -5.760 8.867 1.00 0.00 C ATOM 0 H ALA A 35 54.187 -3.621 8.980 1.00 0.00 H new ATOM 0 HA ALA A 35 56.615 -4.488 10.114 1.00 0.00 H new ATOM 0 HB1 ALA A 35 56.135 -6.568 8.837 1.00 0.00 H new ATOM 0 HB2 ALA A 35 54.679 -5.956 9.657 1.00 0.00 H new ATOM 0 HB3 ALA A 35 54.889 -5.701 7.908 1.00 0.00 H new ATOM 564 N ALA A 36 56.718 -3.694 6.919 1.00 0.00 N ATOM 565 CA ALA A 36 57.622 -3.395 5.810 1.00 0.00 C ATOM 566 C ALA A 36 58.647 -2.323 6.185 1.00 0.00 C ATOM 567 O ALA A 36 59.764 -2.323 5.669 1.00 0.00 O ATOM 568 CB ALA A 36 56.815 -2.922 4.600 1.00 0.00 C ATOM 0 H ALA A 36 55.736 -3.492 6.730 1.00 0.00 H new ATOM 0 HA ALA A 36 58.163 -4.310 5.568 1.00 0.00 H new ATOM 0 HB1 ALA A 36 57.492 -2.700 3.775 1.00 0.00 H new ATOM 0 HB2 ALA A 36 56.120 -3.705 4.298 1.00 0.00 H new ATOM 0 HB3 ALA A 36 56.257 -2.023 4.863 1.00 0.00 H new ATOM 574 N ALA A 37 58.270 -1.411 7.079 1.00 0.00 N ATOM 575 CA ALA A 37 59.166 -0.328 7.476 1.00 0.00 C ATOM 576 C ALA A 37 60.492 -0.876 7.996 1.00 0.00 C ATOM 577 O ALA A 37 61.549 -0.299 7.744 1.00 0.00 O ATOM 578 CB ALA A 37 58.502 0.522 8.561 1.00 0.00 C ATOM 0 H ALA A 37 57.359 -1.400 7.538 1.00 0.00 H new ATOM 0 HA ALA A 37 59.367 0.287 6.599 1.00 0.00 H new ATOM 0 HB1 ALA A 37 59.174 1.328 8.854 1.00 0.00 H new ATOM 0 HB2 ALA A 37 57.574 0.945 8.175 1.00 0.00 H new ATOM 0 HB3 ALA A 37 58.283 -0.101 9.428 1.00 0.00 H new ATOM 584 N TRP A 38 60.435 -1.989 8.721 1.00 0.00 N ATOM 585 CA TRP A 38 61.649 -2.611 9.242 1.00 0.00 C ATOM 586 C TRP A 38 62.626 -2.931 8.111 1.00 0.00 C ATOM 587 O TRP A 38 63.839 -2.790 8.271 1.00 0.00 O ATOM 588 CB TRP A 38 61.298 -3.895 9.995 1.00 0.00 C ATOM 589 CG TRP A 38 62.432 -4.439 10.804 1.00 0.00 C ATOM 590 CD1 TRP A 38 62.674 -4.135 12.100 1.00 0.00 C ATOM 591 CD2 TRP A 38 63.477 -5.372 10.400 1.00 0.00 C ATOM 592 NE1 TRP A 38 63.801 -4.820 12.518 1.00 0.00 N ATOM 593 CE2 TRP A 38 64.331 -5.597 11.507 1.00 0.00 C ATOM 594 CE3 TRP A 38 63.764 -6.037 9.196 1.00 0.00 C ATOM 595 CZ2 TRP A 38 65.432 -6.453 11.420 1.00 0.00 C ATOM 596 CZ3 TRP A 38 64.869 -6.897 9.105 1.00 0.00 C ATOM 597 CH2 TRP A 38 65.700 -7.105 10.212 1.00 0.00 C ATOM 0 H TRP A 38 59.571 -2.475 8.960 1.00 0.00 H new ATOM 0 HA TRP A 38 62.125 -1.907 9.925 1.00 0.00 H new ATOM 0 HB2 TRP A 38 60.452 -3.701 10.654 1.00 0.00 H new ATOM 0 HB3 TRP A 38 60.977 -4.651 9.279 1.00 0.00 H new ATOM 0 HD1 TRP A 38 62.084 -3.466 12.709 1.00 0.00 H new ATOM 0 HE1 TRP A 38 64.192 -4.759 13.458 1.00 0.00 H new ATOM 0 HE3 TRP A 38 63.130 -5.885 8.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 66.070 -6.610 12.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 65.080 -7.402 8.174 1.00 0.00 H new ATOM 0 HH2 TRP A 38 66.548 -7.769 10.133 1.00 0.00 H new ATOM 608 N HIS A 39 62.093 -3.362 6.971 1.00 0.00 N ATOM 609 CA HIS A 39 62.928 -3.699 5.823 1.00 0.00 C ATOM 610 C HIS A 39 62.964 -2.543 4.829 1.00 0.00 C ATOM 611 O HIS A 39 62.033 -1.740 4.762 1.00 0.00 O ATOM 612 CB HIS A 39 62.384 -4.949 5.129 1.00 0.00 C ATOM 613 CG HIS A 39 62.458 -6.190 5.977 1.00 0.00 C ATOM 614 ND1 HIS A 39 61.406 -6.597 6.783 1.00 0.00 N ATOM 615 CD2 HIS A 39 63.450 -7.123 6.154 1.00 0.00 C ATOM 616 CE1 HIS A 39 61.784 -7.731 7.400 1.00 0.00 C ATOM 617 NE2 HIS A 39 63.021 -8.096 7.053 1.00 0.00 N ATOM 0 H HIS A 39 61.092 -3.486 6.818 1.00 0.00 H new ATOM 0 HA HIS A 39 63.940 -3.891 6.180 1.00 0.00 H new ATOM 0 HB2 HIS A 39 61.346 -4.774 4.846 1.00 0.00 H new ATOM 0 HB3 HIS A 39 62.942 -5.115 4.208 1.00 0.00 H new ATOM 0 HD2 HIS A 39 64.415 -7.105 5.670 1.00 0.00 H new ATOM 0 HE1 HIS A 39 61.163 -8.280 8.092 1.00 0.00 H new ATOM 0 HE2 HIS A 39 63.540 -8.912 7.377 1.00 0.00 H new ATOM 625 N GLY A 40 64.044 -2.460 4.061 1.00 0.00 N ATOM 626 CA GLY A 40 64.195 -1.387 3.082 1.00 0.00 C ATOM 627 C GLY A 40 63.573 -1.751 1.734 1.00 0.00 C ATOM 628 O GLY A 40 64.062 -1.327 0.687 1.00 0.00 O ATOM 0 H GLY A 40 64.824 -3.117 4.095 1.00 0.00 H new ATOM 0 HA2 GLY A 40 63.728 -0.479 3.464 1.00 0.00 H new ATOM 0 HA3 GLY A 40 65.254 -1.167 2.945 1.00 0.00 H new ATOM 632 N GLN A 41 62.499 -2.535 1.758 1.00 0.00 N ATOM 633 CA GLN A 41 61.820 -2.923 0.522 1.00 0.00 C ATOM 634 C GLN A 41 60.741 -1.918 0.093 1.00 0.00 C ATOM 635 O GLN A 41 59.881 -2.248 -0.725 1.00 0.00 O ATOM 636 CB GLN A 41 61.211 -4.321 0.688 1.00 0.00 C ATOM 637 CG GLN A 41 60.091 -4.301 1.735 1.00 0.00 C ATOM 638 CD GLN A 41 59.687 -5.727 2.095 1.00 0.00 C ATOM 639 OE1 GLN A 41 60.544 -6.597 2.248 1.00 0.00 O ATOM 640 NE2 GLN A 41 58.423 -6.019 2.239 1.00 0.00 N ATOM 0 H GLN A 41 62.082 -2.912 2.609 1.00 0.00 H new ATOM 0 HA GLN A 41 62.568 -2.933 -0.271 1.00 0.00 H new ATOM 0 HB2 GLN A 41 60.817 -4.668 -0.267 1.00 0.00 H new ATOM 0 HB3 GLN A 41 61.985 -5.027 0.989 1.00 0.00 H new ATOM 0 HG2 GLN A 41 60.426 -3.773 2.628 1.00 0.00 H new ATOM 0 HG3 GLN A 41 59.230 -3.757 1.347 1.00 0.00 H new ATOM 0 HE21 GLN A 41 57.715 -5.296 2.112 1.00 0.00 H new ATOM 0 HE22 GLN A 41 58.143 -6.970 2.479 1.00 0.00 H new ATOM 649 N LYS A 42 60.778 -0.699 0.632 1.00 0.00 N ATOM 650 CA LYS A 42 59.786 0.319 0.296 1.00 0.00 C ATOM 651 C LYS A 42 60.475 1.595 -0.198 1.00 0.00 C ATOM 652 O LYS A 42 60.680 2.527 0.583 1.00 0.00 O ATOM 653 CB LYS A 42 58.928 0.629 1.527 1.00 0.00 C ATOM 654 CG LYS A 42 57.786 1.566 1.132 1.00 0.00 C ATOM 655 CD LYS A 42 56.894 1.826 2.348 1.00 0.00 C ATOM 656 CE LYS A 42 56.153 3.151 2.164 1.00 0.00 C ATOM 657 NZ LYS A 42 57.080 4.283 2.452 1.00 0.00 N ATOM 0 H LYS A 42 61.484 -0.394 1.302 1.00 0.00 H new ATOM 0 HA LYS A 42 59.148 -0.061 -0.502 1.00 0.00 H new ATOM 0 HB2 LYS A 42 58.527 -0.294 1.945 1.00 0.00 H new ATOM 0 HB3 LYS A 42 59.539 1.091 2.302 1.00 0.00 H new ATOM 0 HG2 LYS A 42 58.187 2.507 0.755 1.00 0.00 H new ATOM 0 HG3 LYS A 42 57.200 1.123 0.326 1.00 0.00 H new ATOM 0 HD2 LYS A 42 56.180 1.012 2.469 1.00 0.00 H new ATOM 0 HD3 LYS A 42 57.498 1.858 3.255 1.00 0.00 H new ATOM 0 HE2 LYS A 42 55.772 3.229 1.146 1.00 0.00 H new ATOM 0 HE3 LYS A 42 55.292 3.194 2.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 56.529 5.151 2.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 57.639 4.067 3.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 57.720 4.422 1.644 1.00 0.00 H new ATOM 671 N PRO A 43 60.846 1.665 -1.461 1.00 0.00 N ATOM 672 CA PRO A 43 61.531 2.875 -2.007 1.00 0.00 C ATOM 673 C PRO A 43 60.547 4.001 -2.314 1.00 0.00 C ATOM 674 O PRO A 43 59.385 3.949 -1.911 1.00 0.00 O ATOM 675 CB PRO A 43 62.200 2.368 -3.283 1.00 0.00 C ATOM 676 CG PRO A 43 61.335 1.251 -3.759 1.00 0.00 C ATOM 677 CD PRO A 43 60.674 0.645 -2.519 1.00 0.00 C ATOM 0 HA PRO A 43 62.236 3.304 -1.295 1.00 0.00 H new ATOM 0 HB2 PRO A 43 62.271 3.158 -4.031 1.00 0.00 H new ATOM 0 HB3 PRO A 43 63.215 2.024 -3.086 1.00 0.00 H new ATOM 0 HG2 PRO A 43 60.583 1.616 -4.459 1.00 0.00 H new ATOM 0 HG3 PRO A 43 61.926 0.503 -4.287 1.00 0.00 H new ATOM 0 HD2 PRO A 43 59.620 0.433 -2.697 1.00 0.00 H new ATOM 0 HD3 PRO A 43 61.146 -0.297 -2.240 1.00 0.00 H new ATOM 685 N GLY A 44 61.020 5.018 -3.028 1.00 0.00 N ATOM 686 CA GLY A 44 60.173 6.152 -3.379 1.00 0.00 C ATOM 687 C GLY A 44 61.016 7.363 -3.764 1.00 0.00 C ATOM 688 O GLY A 44 60.868 7.912 -4.856 1.00 0.00 O ATOM 0 H GLY A 44 61.978 5.080 -3.373 1.00 0.00 H new ATOM 0 HA2 GLY A 44 59.520 5.880 -4.208 1.00 0.00 H new ATOM 0 HA3 GLY A 44 59.530 6.405 -2.536 1.00 0.00 H new ATOM 692 N THR A 45 61.902 7.774 -2.861 1.00 0.00 N ATOM 693 CA THR A 45 62.771 8.921 -3.114 1.00 0.00 C ATOM 694 C THR A 45 64.206 8.614 -2.690 1.00 0.00 C ATOM 695 O THR A 45 64.446 7.734 -1.864 1.00 0.00 O ATOM 696 CB THR A 45 62.243 10.150 -2.364 1.00 0.00 C ATOM 697 OG1 THR A 45 63.049 11.276 -2.681 1.00 0.00 O ATOM 698 CG2 THR A 45 62.263 9.907 -0.852 1.00 0.00 C ATOM 0 H THR A 45 62.037 7.333 -1.951 1.00 0.00 H new ATOM 0 HA THR A 45 62.771 9.131 -4.184 1.00 0.00 H new ATOM 0 HB THR A 45 61.214 10.336 -2.670 1.00 0.00 H new ATOM 0 HG1 THR A 45 62.713 12.064 -2.204 1.00 0.00 H new ATOM 0 HG21 THR A 45 61.885 10.790 -0.337 1.00 0.00 H new ATOM 0 HG22 THR A 45 61.634 9.050 -0.613 1.00 0.00 H new ATOM 0 HG23 THR A 45 63.285 9.708 -0.529 1.00 0.00 H new ATOM 706 N HIS A 46 65.156 9.348 -3.263 1.00 0.00 N ATOM 707 CA HIS A 46 66.562 9.150 -2.935 1.00 0.00 C ATOM 708 C HIS A 46 67.361 10.420 -3.208 1.00 0.00 C ATOM 709 O HIS A 46 67.162 11.007 -4.259 1.00 0.00 O ATOM 710 CB HIS A 46 67.135 7.997 -3.762 1.00 0.00 C ATOM 711 CG HIS A 46 68.553 7.648 -3.400 1.00 0.00 C ATOM 712 ND1 HIS A 46 68.890 7.111 -2.168 1.00 0.00 N ATOM 713 CD2 HIS A 46 69.731 7.754 -4.098 1.00 0.00 C ATOM 714 CE1 HIS A 46 70.220 6.915 -2.161 1.00 0.00 C ATOM 715 NE2 HIS A 46 70.783 7.290 -3.313 1.00 0.00 N ATOM 716 OXT HIS A 46 68.159 10.788 -2.362 1.00 0.00 O ATOM 0 H HIS A 46 64.979 10.080 -3.951 1.00 0.00 H new ATOM 0 HA HIS A 46 66.637 8.908 -1.875 1.00 0.00 H new ATOM 0 HB2 HIS A 46 66.507 7.116 -3.628 1.00 0.00 H new ATOM 0 HB3 HIS A 46 67.092 8.261 -4.819 1.00 0.00 H new ATOM 0 HD2 HIS A 46 69.827 8.139 -5.103 1.00 0.00 H new ATOM 0 HE1 HIS A 46 70.767 6.504 -1.325 1.00 0.00 H new ATOM 0 HE2 HIS A 46 71.771 7.246 -3.563 1.00 0.00 H new TER 724 HIS A 46