USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 476 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 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.592 K(o=0.59,f=-3.1!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -163:sc= -0.0497 (180deg=-0.329) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 180:sc= -0.685 USER MOD Single : A 11 THR OG1 : rot 159:sc= -0.0943 USER MOD Single : A 15 TYR OH : rot 130:sc= -0.0124 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.979 K(o=-0.98,f=-5.8!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.951 USER MOD Single : A 32 HIS : no HD1:sc= -0.238 X(o=-0.24,f=0) USER MOD Single : A 35 SER OG : rot -114:sc= 0.0115 USER MOD Single : A 38 THR OG1 : rot -25:sc= 0.381 USER MOD Single : A 45 LYS NZ :NH3+ -167:sc= -0.707 (180deg=-1.17) USER MOD Single : A 49 ASN : amide:sc= -0.45 X(o=-0.45,f=-0.07) USER MOD Single : A 51 LYS NZ :NH3+ -170:sc=-0.00194 (180deg=-0.0899) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 180:sc=-0.00383 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.981 -3.713 6.650 1.00 0.00 N ATOM 2 CA GLY A 1 -14.558 -4.113 6.451 1.00 0.00 C ATOM 3 C GLY A 1 -14.072 -3.851 5.036 1.00 0.00 C ATOM 4 O GLY A 1 -14.371 -2.804 4.458 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.264 -3.912 7.631 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.086 -2.696 6.459 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.587 -4.252 5.999 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.929 -3.568 7.154 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.447 -5.173 6.679 1.00 0.00 H new ATOM 10 N ALA A 2 -13.320 -4.802 4.476 1.00 0.00 N ATOM 11 CA ALA A 2 -12.799 -4.660 3.117 1.00 0.00 C ATOM 12 C ALA A 2 -13.837 -5.119 2.096 1.00 0.00 C ATOM 13 O ALA A 2 -14.591 -6.062 2.343 1.00 0.00 O ATOM 14 CB ALA A 2 -11.506 -5.449 2.959 1.00 0.00 C ATOM 0 H ALA A 2 -13.060 -5.672 4.940 1.00 0.00 H new ATOM 0 HA ALA A 2 -12.584 -3.607 2.937 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.131 -5.333 1.942 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -10.764 -5.076 3.664 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.697 -6.504 3.157 1.00 0.00 H new ATOM 20 N MET A 3 -13.852 -4.442 0.941 1.00 0.00 N ATOM 21 CA MET A 3 -14.690 -4.842 -0.195 1.00 0.00 C ATOM 22 C MET A 3 -14.614 -3.799 -1.307 1.00 0.00 C ATOM 23 O MET A 3 -15.007 -2.652 -1.097 1.00 0.00 O ATOM 24 CB MET A 3 -16.147 -5.122 0.199 1.00 0.00 C ATOM 25 CG MET A 3 -17.013 -5.555 -0.976 1.00 0.00 C ATOM 26 SD MET A 3 -18.676 -6.040 -0.477 1.00 0.00 S ATOM 27 CE MET A 3 -19.381 -6.496 -2.060 1.00 0.00 C ATOM 0 H MET A 3 -13.289 -3.609 0.769 1.00 0.00 H new ATOM 0 HA MET A 3 -14.289 -5.786 -0.564 1.00 0.00 H new ATOM 0 HB2 MET A 3 -16.167 -5.899 0.963 1.00 0.00 H new ATOM 0 HB3 MET A 3 -16.575 -4.225 0.646 1.00 0.00 H new ATOM 0 HG2 MET A 3 -17.078 -4.738 -1.694 1.00 0.00 H new ATOM 0 HG3 MET A 3 -16.534 -6.390 -1.486 1.00 0.00 H new ATOM 0 HE1 MET A 3 -20.412 -6.820 -1.919 1.00 0.00 H new ATOM 0 HE2 MET A 3 -19.359 -5.636 -2.729 1.00 0.00 H new ATOM 0 HE3 MET A 3 -18.801 -7.310 -2.496 1.00 0.00 H new ATOM 37 N GLY A 4 -14.107 -4.217 -2.481 1.00 0.00 N ATOM 38 CA GLY A 4 -13.935 -3.330 -3.637 1.00 0.00 C ATOM 39 C GLY A 4 -14.696 -2.014 -3.565 1.00 0.00 C ATOM 40 O GLY A 4 -15.786 -1.910 -4.130 1.00 0.00 O ATOM 0 H GLY A 4 -13.807 -5.177 -2.651 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.873 -3.111 -3.752 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.249 -3.864 -4.534 1.00 0.00 H new ATOM 44 N ALA A 5 -14.147 -1.007 -2.875 1.00 0.00 N ATOM 45 CA ALA A 5 -14.820 0.291 -2.784 1.00 0.00 C ATOM 46 C ALA A 5 -13.991 1.425 -3.403 1.00 0.00 C ATOM 47 O ALA A 5 -14.359 2.593 -3.275 1.00 0.00 O ATOM 48 CB ALA A 5 -15.157 0.605 -1.333 1.00 0.00 C ATOM 0 H ALA A 5 -13.256 -1.064 -2.381 1.00 0.00 H new ATOM 0 HA ALA A 5 -15.742 0.221 -3.362 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -15.657 1.572 -1.277 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -15.816 -0.168 -0.937 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -14.240 0.636 -0.745 1.00 0.00 H new ATOM 54 N LYS A 6 -12.867 1.080 -4.057 1.00 0.00 N ATOM 55 CA LYS A 6 -12.003 2.078 -4.698 1.00 0.00 C ATOM 56 C LYS A 6 -11.210 2.836 -3.631 1.00 0.00 C ATOM 57 O LYS A 6 -11.165 4.068 -3.614 1.00 0.00 O ATOM 58 CB LYS A 6 -12.820 3.037 -5.577 1.00 0.00 C ATOM 59 CG LYS A 6 -13.337 2.384 -6.853 1.00 0.00 C ATOM 60 CD LYS A 6 -14.421 3.218 -7.519 1.00 0.00 C ATOM 61 CE LYS A 6 -15.760 3.079 -6.806 1.00 0.00 C ATOM 62 NZ LYS A 6 -16.321 1.703 -6.926 1.00 0.00 N ATOM 0 H LYS A 6 -12.540 0.119 -4.153 1.00 0.00 H new ATOM 0 HA LYS A 6 -11.300 1.565 -5.354 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -13.665 3.417 -5.002 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -12.202 3.895 -5.840 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -12.510 2.242 -7.549 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -13.732 1.395 -6.620 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -14.120 4.266 -7.527 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -14.529 2.910 -8.559 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -15.636 3.329 -5.752 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -16.468 3.796 -7.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -17.334 1.719 -6.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -16.198 1.362 -7.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -15.823 1.067 -6.271 1.00 0.00 H new ATOM 76 N GLU A 7 -10.583 2.063 -2.745 1.00 0.00 N ATOM 77 CA GLU A 7 -9.833 2.610 -1.617 1.00 0.00 C ATOM 78 C GLU A 7 -8.410 3.020 -1.991 1.00 0.00 C ATOM 79 O GLU A 7 -7.687 2.281 -2.659 1.00 0.00 O ATOM 80 CB GLU A 7 -9.804 1.593 -0.473 1.00 0.00 C ATOM 81 CG GLU A 7 -11.173 1.339 0.143 1.00 0.00 C ATOM 82 CD GLU A 7 -11.239 0.038 0.919 1.00 0.00 C ATOM 83 OE1 GLU A 7 -10.890 0.041 2.118 1.00 0.00 O ATOM 84 OE2 GLU A 7 -11.645 -0.986 0.329 1.00 0.00 O ATOM 0 H GLU A 7 -10.581 1.044 -2.789 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.348 3.517 -1.299 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.400 0.651 -0.844 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.125 1.948 0.302 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.426 2.165 0.807 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.924 1.324 -0.647 1.00 0.00 H new ATOM 91 N TYR A 8 -8.037 4.222 -1.554 1.00 0.00 N ATOM 92 CA TYR A 8 -6.699 4.766 -1.788 1.00 0.00 C ATOM 93 C TYR A 8 -6.051 5.133 -0.452 1.00 0.00 C ATOM 94 O TYR A 8 -6.755 5.361 0.535 1.00 0.00 O ATOM 95 CB TYR A 8 -6.770 5.998 -2.697 1.00 0.00 C ATOM 96 CG TYR A 8 -7.690 5.831 -3.890 1.00 0.00 C ATOM 97 CD1 TYR A 8 -7.476 4.825 -4.824 1.00 0.00 C ATOM 98 CD2 TYR A 8 -8.774 6.681 -4.078 1.00 0.00 C ATOM 99 CE1 TYR A 8 -8.316 4.671 -5.910 1.00 0.00 C ATOM 100 CE2 TYR A 8 -9.617 6.532 -5.162 1.00 0.00 C ATOM 101 CZ TYR A 8 -9.386 5.526 -6.074 1.00 0.00 C ATOM 102 OH TYR A 8 -10.226 5.376 -7.155 1.00 0.00 O ATOM 0 H TYR A 8 -8.651 4.845 -1.029 1.00 0.00 H new ATOM 0 HA TYR A 8 -6.093 4.008 -2.285 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -7.106 6.852 -2.109 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -5.767 6.232 -3.054 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -6.640 4.153 -4.699 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -8.960 7.471 -3.365 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -8.136 3.884 -6.628 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -10.454 7.202 -5.294 1.00 0.00 H new ATOM 0 HH TYR A 8 -10.929 6.058 -7.120 1.00 0.00 H new ATOM 112 N CYS A 9 -4.720 5.197 -0.413 1.00 0.00 N ATOM 113 CA CYS A 9 -4.020 5.536 0.826 1.00 0.00 C ATOM 114 C CYS A 9 -2.843 6.477 0.576 1.00 0.00 C ATOM 115 O CYS A 9 -2.169 6.385 -0.450 1.00 0.00 O ATOM 116 CB CYS A 9 -3.534 4.267 1.533 1.00 0.00 C ATOM 117 SG CYS A 9 -2.562 3.156 0.487 1.00 0.00 S ATOM 0 H CYS A 9 -4.112 5.021 -1.213 1.00 0.00 H new ATOM 0 HA CYS A 9 -4.732 6.055 1.468 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.932 4.554 2.395 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -4.399 3.724 1.914 1.00 0.00 H new ATOM 0 HG CYS A 9 -2.198 2.117 1.178 1.00 0.00 H new ATOM 123 N ARG A 10 -2.601 7.376 1.527 1.00 0.00 N ATOM 124 CA ARG A 10 -1.502 8.334 1.430 1.00 0.00 C ATOM 125 C ARG A 10 -0.343 7.902 2.326 1.00 0.00 C ATOM 126 O ARG A 10 -0.553 7.542 3.481 1.00 0.00 O ATOM 127 CB ARG A 10 -1.986 9.730 1.829 1.00 0.00 C ATOM 128 CG ARG A 10 -0.898 10.794 1.800 1.00 0.00 C ATOM 129 CD ARG A 10 -1.472 12.181 2.042 1.00 0.00 C ATOM 130 NE ARG A 10 -2.220 12.258 3.299 1.00 0.00 N ATOM 131 CZ ARG A 10 -3.287 13.040 3.492 1.00 0.00 C ATOM 132 NH1 ARG A 10 -3.735 13.830 2.519 1.00 0.00 N ATOM 133 NH2 ARG A 10 -3.909 13.033 4.666 1.00 0.00 N ATOM 0 H ARG A 10 -3.155 7.461 2.379 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.152 8.364 0.398 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.791 10.030 1.158 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.408 9.684 2.833 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.149 10.571 2.560 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.391 10.772 0.835 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.662 12.910 2.058 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.127 12.451 1.214 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.907 11.678 4.077 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.263 13.843 1.615 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.550 14.422 2.678 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.572 12.432 5.418 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.723 13.629 4.815 1.00 0.00 H new ATOM 147 N THR A 11 0.880 7.954 1.800 1.00 0.00 N ATOM 148 CA THR A 11 2.057 7.552 2.569 1.00 0.00 C ATOM 149 C THR A 11 2.474 8.640 3.558 1.00 0.00 C ATOM 150 O THR A 11 2.362 9.833 3.266 1.00 0.00 O ATOM 151 CB THR A 11 3.247 7.201 1.652 1.00 0.00 C ATOM 152 OG1 THR A 11 3.496 8.268 0.730 1.00 0.00 O ATOM 153 CG2 THR A 11 2.972 5.916 0.885 1.00 0.00 C ATOM 0 H THR A 11 1.081 8.268 0.851 1.00 0.00 H new ATOM 0 HA THR A 11 1.775 6.658 3.126 1.00 0.00 H new ATOM 0 HB THR A 11 4.127 7.056 2.278 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.415 8.204 0.397 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.823 5.686 0.244 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.816 5.098 1.589 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.080 6.042 0.272 1.00 0.00 H new ATOM 161 N LEU A 12 2.957 8.218 4.727 1.00 0.00 N ATOM 162 CA LEU A 12 3.385 9.146 5.773 1.00 0.00 C ATOM 163 C LEU A 12 4.912 9.222 5.864 1.00 0.00 C ATOM 164 O LEU A 12 5.446 10.160 6.455 1.00 0.00 O ATOM 165 CB LEU A 12 2.820 8.704 7.128 1.00 0.00 C ATOM 166 CG LEU A 12 1.361 8.237 7.111 1.00 0.00 C ATOM 167 CD1 LEU A 12 0.960 7.685 8.469 1.00 0.00 C ATOM 168 CD2 LEU A 12 0.440 9.376 6.701 1.00 0.00 C ATOM 0 H LEU A 12 3.062 7.234 4.974 1.00 0.00 H new ATOM 0 HA LEU A 12 3.005 10.134 5.515 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.439 7.894 7.514 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.910 9.534 7.828 1.00 0.00 H new ATOM 0 HG LEU A 12 1.265 7.438 6.376 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.079 7.359 8.437 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.599 6.838 8.721 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.073 8.462 9.225 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.592 9.025 6.695 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.540 10.198 7.410 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.712 9.722 5.704 1.00 0.00 H new ATOM 180 N PHE A 13 5.611 8.239 5.274 1.00 0.00 N ATOM 181 CA PHE A 13 7.074 8.183 5.310 1.00 0.00 C ATOM 182 C PHE A 13 7.588 7.305 4.165 1.00 0.00 C ATOM 183 O PHE A 13 6.857 6.446 3.667 1.00 0.00 O ATOM 184 CB PHE A 13 7.568 7.623 6.650 1.00 0.00 C ATOM 185 CG PHE A 13 7.289 8.518 7.825 1.00 0.00 C ATOM 186 CD1 PHE A 13 8.038 9.665 8.033 1.00 0.00 C ATOM 187 CD2 PHE A 13 6.273 8.213 8.717 1.00 0.00 C ATOM 188 CE1 PHE A 13 7.779 10.491 9.108 1.00 0.00 C ATOM 189 CE2 PHE A 13 6.011 9.035 9.795 1.00 0.00 C ATOM 190 CZ PHE A 13 6.764 10.176 9.991 1.00 0.00 C ATOM 0 H PHE A 13 5.179 7.469 4.764 1.00 0.00 H new ATOM 0 HA PHE A 13 7.458 9.197 5.196 1.00 0.00 H new ATOM 0 HB2 PHE A 13 7.098 6.655 6.823 1.00 0.00 H new ATOM 0 HB3 PHE A 13 8.642 7.449 6.586 1.00 0.00 H new ATOM 0 HD1 PHE A 13 8.833 9.915 7.346 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.680 7.323 8.567 1.00 0.00 H new ATOM 0 HE1 PHE A 13 8.369 11.383 9.259 1.00 0.00 H new ATOM 0 HE2 PHE A 13 5.218 8.786 10.484 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.560 10.821 10.833 1.00 0.00 H new ATOM 200 N PRO A 14 8.848 7.503 3.726 1.00 0.00 N ATOM 201 CA PRO A 14 9.424 6.714 2.632 1.00 0.00 C ATOM 202 C PRO A 14 9.686 5.263 3.039 1.00 0.00 C ATOM 203 O PRO A 14 10.282 4.994 4.084 1.00 0.00 O ATOM 204 CB PRO A 14 10.737 7.436 2.321 1.00 0.00 C ATOM 205 CG PRO A 14 11.098 8.135 3.587 1.00 0.00 C ATOM 206 CD PRO A 14 9.798 8.503 4.251 1.00 0.00 C ATOM 0 HA PRO A 14 8.751 6.649 1.777 1.00 0.00 H new ATOM 0 HB2 PRO A 14 11.514 6.732 2.023 1.00 0.00 H new ATOM 0 HB3 PRO A 14 10.615 8.143 1.500 1.00 0.00 H new ATOM 0 HG2 PRO A 14 11.695 7.489 4.231 1.00 0.00 H new ATOM 0 HG3 PRO A 14 11.696 9.023 3.384 1.00 0.00 H new ATOM 0 HD2 PRO A 14 9.874 8.453 5.337 1.00 0.00 H new ATOM 0 HD3 PRO A 14 9.492 9.518 3.999 1.00 0.00 H new ATOM 214 N TYR A 15 9.230 4.338 2.196 1.00 0.00 N ATOM 215 CA TYR A 15 9.388 2.906 2.434 1.00 0.00 C ATOM 216 C TYR A 15 10.117 2.243 1.264 1.00 0.00 C ATOM 217 O TYR A 15 9.795 2.497 0.102 1.00 0.00 O ATOM 218 CB TYR A 15 8.019 2.256 2.647 1.00 0.00 C ATOM 219 CG TYR A 15 8.083 0.813 3.097 1.00 0.00 C ATOM 220 CD1 TYR A 15 8.349 0.491 4.422 1.00 0.00 C ATOM 221 CD2 TYR A 15 7.870 -0.227 2.199 1.00 0.00 C ATOM 222 CE1 TYR A 15 8.403 -0.824 4.839 1.00 0.00 C ATOM 223 CE2 TYR A 15 7.923 -1.545 2.609 1.00 0.00 C ATOM 224 CZ TYR A 15 8.188 -1.839 3.929 1.00 0.00 C ATOM 225 OH TYR A 15 8.241 -3.152 4.342 1.00 0.00 O ATOM 0 H TYR A 15 8.741 4.561 1.329 1.00 0.00 H new ATOM 0 HA TYR A 15 9.988 2.766 3.333 1.00 0.00 H new ATOM 0 HB2 TYR A 15 7.467 2.833 3.389 1.00 0.00 H new ATOM 0 HB3 TYR A 15 7.454 2.310 1.716 1.00 0.00 H new ATOM 0 HD1 TYR A 15 8.516 1.282 5.138 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.660 -0.001 1.164 1.00 0.00 H new ATOM 0 HE1 TYR A 15 8.613 -1.057 5.872 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.758 -2.341 1.898 1.00 0.00 H new ATOM 0 HH TYR A 15 7.441 -3.625 4.032 1.00 0.00 H new ATOM 235 N THR A 16 11.092 1.387 1.578 1.00 0.00 N ATOM 236 CA THR A 16 11.857 0.688 0.547 1.00 0.00 C ATOM 237 C THR A 16 11.510 -0.798 0.520 1.00 0.00 C ATOM 238 O THR A 16 11.436 -1.448 1.565 1.00 0.00 O ATOM 239 CB THR A 16 13.378 0.840 0.769 1.00 0.00 C ATOM 240 OG1 THR A 16 13.727 2.226 0.857 1.00 0.00 O ATOM 241 CG2 THR A 16 14.162 0.188 -0.364 1.00 0.00 C ATOM 0 H THR A 16 11.368 1.163 2.534 1.00 0.00 H new ATOM 0 HA THR A 16 11.589 1.143 -0.406 1.00 0.00 H new ATOM 0 HB THR A 16 13.634 0.340 1.703 1.00 0.00 H new ATOM 0 HG1 THR A 16 14.693 2.312 0.999 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.230 0.309 -0.184 1.00 0.00 H new ATOM 0 HG22 THR A 16 13.920 -0.874 -0.410 1.00 0.00 H new ATOM 0 HG23 THR A 16 13.897 0.662 -1.309 1.00 0.00 H new ATOM 249 N GLY A 17 11.295 -1.329 -0.684 1.00 0.00 N ATOM 250 CA GLY A 17 10.974 -2.737 -0.836 1.00 0.00 C ATOM 251 C GLY A 17 12.217 -3.608 -0.806 1.00 0.00 C ATOM 252 O GLY A 17 13.210 -3.299 -1.468 1.00 0.00 O ATOM 0 H GLY A 17 11.338 -0.805 -1.558 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.297 -3.043 -0.038 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.447 -2.889 -1.778 1.00 0.00 H new ATOM 256 N THR A 18 12.168 -4.697 -0.041 1.00 0.00 N ATOM 257 CA THR A 18 13.310 -5.602 0.082 1.00 0.00 C ATOM 258 C THR A 18 13.306 -6.684 -1.002 1.00 0.00 C ATOM 259 O THR A 18 14.362 -7.136 -1.448 1.00 0.00 O ATOM 260 CB THR A 18 13.326 -6.280 1.467 1.00 0.00 C ATOM 261 OG1 THR A 18 13.206 -5.291 2.497 1.00 0.00 O ATOM 262 CG2 THR A 18 14.608 -7.071 1.674 1.00 0.00 C ATOM 0 H THR A 18 11.351 -4.974 0.503 1.00 0.00 H new ATOM 0 HA THR A 18 14.205 -4.992 -0.041 1.00 0.00 H new ATOM 0 HB THR A 18 12.481 -6.967 1.516 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.215 -5.729 3.374 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.592 -7.538 2.659 1.00 0.00 H new ATOM 0 HG22 THR A 18 14.688 -7.842 0.908 1.00 0.00 H new ATOM 0 HG23 THR A 18 15.465 -6.400 1.604 1.00 0.00 H new ATOM 270 N ASN A 19 12.104 -7.088 -1.418 1.00 0.00 N ATOM 271 CA ASN A 19 11.926 -8.112 -2.446 1.00 0.00 C ATOM 272 C ASN A 19 11.015 -7.604 -3.565 1.00 0.00 C ATOM 273 O ASN A 19 10.346 -6.578 -3.415 1.00 0.00 O ATOM 274 CB ASN A 19 11.346 -9.389 -1.828 1.00 0.00 C ATOM 275 CG ASN A 19 10.108 -9.127 -0.989 1.00 0.00 C ATOM 276 OD1 ASN A 19 8.986 -9.190 -1.486 1.00 0.00 O ATOM 277 ND2 ASN A 19 10.308 -8.827 0.290 1.00 0.00 N ATOM 0 H ASN A 19 11.229 -6.714 -1.051 1.00 0.00 H new ATOM 0 HA ASN A 19 12.902 -8.340 -2.875 1.00 0.00 H new ATOM 0 HB2 ASN A 19 11.098 -10.092 -2.623 1.00 0.00 H new ATOM 0 HB3 ASN A 19 12.106 -9.864 -1.208 1.00 0.00 H new ATOM 0 HD21 ASN A 19 9.513 -8.638 0.900 1.00 0.00 H new ATOM 0 HD22 ASN A 19 11.257 -8.786 0.662 1.00 0.00 H new ATOM 284 N GLU A 20 10.996 -8.328 -4.688 1.00 0.00 N ATOM 285 CA GLU A 20 10.178 -7.940 -5.841 1.00 0.00 C ATOM 286 C GLU A 20 8.674 -7.988 -5.524 1.00 0.00 C ATOM 287 O GLU A 20 7.866 -7.434 -6.272 1.00 0.00 O ATOM 288 CB GLU A 20 10.516 -8.813 -7.058 1.00 0.00 C ATOM 289 CG GLU A 20 9.550 -8.668 -8.225 1.00 0.00 C ATOM 290 CD GLU A 20 9.761 -9.727 -9.292 1.00 0.00 C ATOM 291 OE1 GLU A 20 9.212 -10.839 -9.138 1.00 0.00 O ATOM 292 OE2 GLU A 20 10.471 -9.444 -10.279 1.00 0.00 O ATOM 0 H GLU A 20 11.536 -9.183 -4.823 1.00 0.00 H new ATOM 0 HA GLU A 20 10.418 -6.904 -6.081 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.520 -8.564 -7.401 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.536 -9.857 -6.746 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.527 -8.729 -7.855 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.669 -7.680 -8.670 1.00 0.00 H new ATOM 299 N ASP A 21 8.296 -8.625 -4.413 1.00 0.00 N ATOM 300 CA ASP A 21 6.890 -8.704 -4.022 1.00 0.00 C ATOM 301 C ASP A 21 6.511 -7.489 -3.166 1.00 0.00 C ATOM 302 O ASP A 21 5.338 -7.126 -3.085 1.00 0.00 O ATOM 303 CB ASP A 21 6.606 -10.004 -3.263 1.00 0.00 C ATOM 304 CG ASP A 21 5.122 -10.304 -3.151 1.00 0.00 C ATOM 305 OD1 ASP A 21 4.489 -9.826 -2.185 1.00 0.00 O ATOM 306 OD2 ASP A 21 4.592 -11.016 -4.030 1.00 0.00 O ATOM 0 H ASP A 21 8.940 -9.090 -3.773 1.00 0.00 H new ATOM 0 HA ASP A 21 6.281 -8.701 -4.926 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.103 -10.832 -3.769 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.036 -9.938 -2.263 1.00 0.00 H new ATOM 311 N GLU A 22 7.509 -6.864 -2.529 1.00 0.00 N ATOM 312 CA GLU A 22 7.278 -5.677 -1.710 1.00 0.00 C ATOM 313 C GLU A 22 7.439 -4.419 -2.569 1.00 0.00 C ATOM 314 O GLU A 22 8.331 -4.350 -3.417 1.00 0.00 O ATOM 315 CB GLU A 22 8.253 -5.655 -0.528 1.00 0.00 C ATOM 316 CG GLU A 22 7.880 -4.658 0.559 1.00 0.00 C ATOM 317 CD GLU A 22 8.703 -4.838 1.821 1.00 0.00 C ATOM 318 OE1 GLU A 22 9.780 -4.214 1.925 1.00 0.00 O ATOM 319 OE2 GLU A 22 8.268 -5.604 2.708 1.00 0.00 O ATOM 0 H GLU A 22 8.483 -7.164 -2.568 1.00 0.00 H new ATOM 0 HA GLU A 22 6.263 -5.703 -1.315 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.302 -6.653 -0.091 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.251 -5.419 -0.897 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.018 -3.645 0.181 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.823 -4.767 0.800 1.00 0.00 H new ATOM 326 N LEU A 23 6.579 -3.426 -2.342 1.00 0.00 N ATOM 327 CA LEU A 23 6.618 -2.182 -3.121 1.00 0.00 C ATOM 328 C LEU A 23 7.585 -1.161 -2.515 1.00 0.00 C ATOM 329 O LEU A 23 7.997 -1.293 -1.361 1.00 0.00 O ATOM 330 CB LEU A 23 5.212 -1.579 -3.234 1.00 0.00 C ATOM 331 CG LEU A 23 4.561 -1.697 -4.617 1.00 0.00 C ATOM 332 CD1 LEU A 23 3.083 -1.344 -4.543 1.00 0.00 C ATOM 333 CD2 LEU A 23 5.273 -0.800 -5.620 1.00 0.00 C ATOM 0 H LEU A 23 5.849 -3.455 -1.630 1.00 0.00 H new ATOM 0 HA LEU A 23 6.982 -2.431 -4.118 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.566 -2.065 -2.503 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.263 -0.525 -2.963 1.00 0.00 H new ATOM 0 HG LEU A 23 4.652 -2.730 -4.953 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.638 -1.433 -5.534 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.580 -2.025 -3.856 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.971 -0.320 -4.186 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.798 -0.897 -6.596 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.213 0.236 -5.288 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.319 -1.097 -5.695 1.00 0.00 H new ATOM 345 N THR A 24 7.942 -0.139 -3.307 1.00 0.00 N ATOM 346 CA THR A 24 8.857 0.911 -2.850 1.00 0.00 C ATOM 347 C THR A 24 8.277 2.289 -3.170 1.00 0.00 C ATOM 348 O THR A 24 7.630 2.464 -4.206 1.00 0.00 O ATOM 349 CB THR A 24 10.246 0.775 -3.512 1.00 0.00 C ATOM 350 OG1 THR A 24 10.784 -0.528 -3.263 1.00 0.00 O ATOM 351 CG2 THR A 24 11.210 1.833 -2.990 1.00 0.00 C ATOM 0 H THR A 24 7.611 -0.020 -4.264 1.00 0.00 H new ATOM 0 HA THR A 24 8.975 0.801 -1.772 1.00 0.00 H new ATOM 0 HB THR A 24 10.122 0.920 -4.585 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.664 -0.605 -3.688 1.00 0.00 H new ATOM 0 HG21 THR A 24 12.179 1.712 -3.474 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.815 2.825 -3.210 1.00 0.00 H new ATOM 0 HG23 THR A 24 11.326 1.720 -1.912 1.00 0.00 H new ATOM 359 N PHE A 25 8.508 3.267 -2.292 1.00 0.00 N ATOM 360 CA PHE A 25 7.998 4.624 -2.508 1.00 0.00 C ATOM 361 C PHE A 25 8.537 5.607 -1.464 1.00 0.00 C ATOM 362 O PHE A 25 9.145 5.202 -0.473 1.00 0.00 O ATOM 363 CB PHE A 25 6.462 4.620 -2.474 1.00 0.00 C ATOM 364 CG PHE A 25 5.876 3.767 -1.381 1.00 0.00 C ATOM 365 CD1 PHE A 25 5.864 4.208 -0.068 1.00 0.00 C ATOM 366 CD2 PHE A 25 5.340 2.521 -1.670 1.00 0.00 C ATOM 367 CE1 PHE A 25 5.329 3.424 0.937 1.00 0.00 C ATOM 368 CE2 PHE A 25 4.803 1.732 -0.670 1.00 0.00 C ATOM 369 CZ PHE A 25 4.797 2.185 0.635 1.00 0.00 C ATOM 0 H PHE A 25 9.041 3.147 -1.431 1.00 0.00 H new ATOM 0 HA PHE A 25 8.343 4.954 -3.488 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.109 5.644 -2.351 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.088 4.268 -3.435 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.278 5.176 0.173 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.342 2.163 -2.689 1.00 0.00 H new ATOM 0 HE1 PHE A 25 5.327 3.779 1.957 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.389 0.763 -0.908 1.00 0.00 H new ATOM 0 HZ PHE A 25 4.377 1.571 1.418 1.00 0.00 H new ATOM 379 N ARG A 26 8.312 6.903 -1.702 1.00 0.00 N ATOM 380 CA ARG A 26 8.746 7.949 -0.774 1.00 0.00 C ATOM 381 C ARG A 26 7.522 8.516 -0.057 1.00 0.00 C ATOM 382 O ARG A 26 6.389 8.228 -0.450 1.00 0.00 O ATOM 383 CB ARG A 26 9.485 9.062 -1.526 1.00 0.00 C ATOM 384 CG ARG A 26 10.704 8.572 -2.291 1.00 0.00 C ATOM 385 CD ARG A 26 11.392 9.706 -3.034 1.00 0.00 C ATOM 386 NE ARG A 26 12.522 9.234 -3.835 1.00 0.00 N ATOM 387 CZ ARG A 26 13.406 10.040 -4.431 1.00 0.00 C ATOM 388 NH1 ARG A 26 13.300 11.362 -4.320 1.00 0.00 N ATOM 389 NH2 ARG A 26 14.401 9.519 -5.143 1.00 0.00 N ATOM 0 H ARG A 26 7.831 7.252 -2.531 1.00 0.00 H new ATOM 0 HA ARG A 26 9.433 7.522 -0.043 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.796 9.538 -2.223 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.796 9.826 -0.814 1.00 0.00 H new ATOM 0 HG2 ARG A 26 11.408 8.111 -1.598 1.00 0.00 H new ATOM 0 HG3 ARG A 26 10.403 7.801 -3.000 1.00 0.00 H new ATOM 0 HD2 ARG A 26 10.671 10.204 -3.683 1.00 0.00 H new ATOM 0 HD3 ARG A 26 11.742 10.449 -2.317 1.00 0.00 H new ATOM 0 HE ARG A 26 12.643 8.227 -3.945 1.00 0.00 H new ATOM 0 HH11 ARG A 26 12.539 11.769 -3.776 1.00 0.00 H new ATOM 0 HH12 ARG A 26 13.980 11.968 -4.779 1.00 0.00 H new ATOM 0 HH21 ARG A 26 14.488 8.507 -5.233 1.00 0.00 H new ATOM 0 HH22 ARG A 26 15.077 10.132 -5.599 1.00 0.00 H new ATOM 403 N GLU A 27 7.730 9.320 0.990 1.00 0.00 N ATOM 404 CA GLU A 27 6.614 9.897 1.740 1.00 0.00 C ATOM 405 C GLU A 27 5.800 10.866 0.885 1.00 0.00 C ATOM 406 O GLU A 27 6.362 11.639 0.104 1.00 0.00 O ATOM 407 CB GLU A 27 7.142 10.618 2.986 1.00 0.00 C ATOM 408 CG GLU A 27 6.114 11.490 3.691 1.00 0.00 C ATOM 409 CD GLU A 27 6.752 12.491 4.637 1.00 0.00 C ATOM 410 OE1 GLU A 27 7.294 12.065 5.680 1.00 0.00 O ATOM 411 OE2 GLU A 27 6.714 13.702 4.334 1.00 0.00 O ATOM 0 H GLU A 27 8.653 9.584 1.334 1.00 0.00 H new ATOM 0 HA GLU A 27 5.955 9.082 2.038 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.514 9.874 3.691 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.991 11.238 2.699 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.523 12.024 2.947 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.425 10.855 4.249 1.00 0.00 H new ATOM 418 N GLY A 28 4.476 10.816 1.035 1.00 0.00 N ATOM 419 CA GLY A 28 3.608 11.690 0.270 1.00 0.00 C ATOM 420 C GLY A 28 3.378 11.158 -1.128 1.00 0.00 C ATOM 421 O GLY A 28 3.964 11.657 -2.087 1.00 0.00 O ATOM 0 H GLY A 28 3.992 10.185 1.674 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.652 11.794 0.783 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.050 12.685 0.214 1.00 0.00 H new ATOM 425 N GLU A 29 2.513 10.149 -1.242 1.00 0.00 N ATOM 426 CA GLU A 29 2.202 9.522 -2.525 1.00 0.00 C ATOM 427 C GLU A 29 0.993 8.600 -2.368 1.00 0.00 C ATOM 428 O GLU A 29 1.004 7.693 -1.533 1.00 0.00 O ATOM 429 CB GLU A 29 3.403 8.720 -3.048 1.00 0.00 C ATOM 430 CG GLU A 29 4.228 9.450 -4.099 1.00 0.00 C ATOM 431 CD GLU A 29 3.434 9.770 -5.352 1.00 0.00 C ATOM 432 OE1 GLU A 29 3.341 8.892 -6.237 1.00 0.00 O ATOM 433 OE2 GLU A 29 2.904 10.897 -5.447 1.00 0.00 O ATOM 0 H GLU A 29 2.011 9.746 -0.451 1.00 0.00 H new ATOM 0 HA GLU A 29 1.972 10.306 -3.246 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.049 8.464 -2.208 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.043 7.782 -3.471 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.614 10.376 -3.673 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.090 8.839 -4.367 1.00 0.00 H new ATOM 440 N ILE A 30 -0.044 8.832 -3.170 1.00 0.00 N ATOM 441 CA ILE A 30 -1.268 8.037 -3.087 1.00 0.00 C ATOM 442 C ILE A 30 -1.126 6.701 -3.812 1.00 0.00 C ATOM 443 O ILE A 30 -0.781 6.648 -4.994 1.00 0.00 O ATOM 444 CB ILE A 30 -2.482 8.795 -3.674 1.00 0.00 C ATOM 445 CG1 ILE A 30 -2.663 10.149 -2.976 1.00 0.00 C ATOM 446 CG2 ILE A 30 -3.751 7.955 -3.548 1.00 0.00 C ATOM 447 CD1 ILE A 30 -2.889 10.045 -1.482 1.00 0.00 C ATOM 0 H ILE A 30 -0.062 9.562 -3.883 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.437 7.852 -2.026 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.293 8.977 -4.732 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.780 10.761 -3.158 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.509 10.668 -3.426 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.594 8.505 -3.966 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.623 7.019 -4.091 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.943 7.741 -2.497 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.008 11.044 -1.062 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.789 9.461 -1.290 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.033 9.555 -1.018 1.00 0.00 H new ATOM 459 N ILE A 31 -1.396 5.626 -3.071 1.00 0.00 N ATOM 460 CA ILE A 31 -1.296 4.270 -3.593 1.00 0.00 C ATOM 461 C ILE A 31 -2.683 3.651 -3.756 1.00 0.00 C ATOM 462 O ILE A 31 -3.603 3.977 -3.002 1.00 0.00 O ATOM 463 CB ILE A 31 -0.449 3.375 -2.655 1.00 0.00 C ATOM 464 CG1 ILE A 31 0.905 4.034 -2.366 1.00 0.00 C ATOM 465 CG2 ILE A 31 -0.249 1.990 -3.263 1.00 0.00 C ATOM 466 CD1 ILE A 31 1.730 3.302 -1.330 1.00 0.00 C ATOM 0 H ILE A 31 -1.689 5.674 -2.095 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.808 4.329 -4.566 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.988 3.260 -1.714 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.474 4.095 -3.293 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.736 5.056 -2.027 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.349 1.379 -2.587 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.219 1.517 -3.418 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.266 2.083 -4.219 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.673 3.827 -1.179 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.181 3.263 -0.389 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.931 2.288 -1.675 1.00 0.00 H new ATOM 478 N HIS A 32 -2.834 2.764 -4.732 1.00 0.00 N ATOM 479 CA HIS A 32 -4.118 2.110 -4.968 1.00 0.00 C ATOM 480 C HIS A 32 -4.244 0.866 -4.094 1.00 0.00 C ATOM 481 O HIS A 32 -3.400 -0.028 -4.154 1.00 0.00 O ATOM 482 CB HIS A 32 -4.283 1.750 -6.447 1.00 0.00 C ATOM 483 CG HIS A 32 -4.756 2.894 -7.290 1.00 0.00 C ATOM 484 ND1 HIS A 32 -3.935 3.926 -7.694 1.00 0.00 N ATOM 485 CD2 HIS A 32 -5.980 3.167 -7.802 1.00 0.00 C ATOM 486 CE1 HIS A 32 -4.633 4.784 -8.417 1.00 0.00 C ATOM 487 NE2 HIS A 32 -5.876 4.346 -8.498 1.00 0.00 N ATOM 0 H HIS A 32 -2.090 2.481 -5.370 1.00 0.00 H new ATOM 0 HA HIS A 32 -4.913 2.806 -4.701 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -3.329 1.393 -6.835 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -4.991 0.926 -6.536 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -6.872 2.569 -7.685 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -4.252 5.689 -8.865 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -6.636 4.809 -8.997 1.00 0.00 H new ATOM 496 N LEU A 33 -5.306 0.810 -3.285 1.00 0.00 N ATOM 497 CA LEU A 33 -5.526 -0.323 -2.388 1.00 0.00 C ATOM 498 C LEU A 33 -6.202 -1.465 -3.140 1.00 0.00 C ATOM 499 O LEU A 33 -7.372 -1.367 -3.519 1.00 0.00 O ATOM 500 CB LEU A 33 -6.380 0.103 -1.185 1.00 0.00 C ATOM 501 CG LEU A 33 -6.385 -0.867 0.003 1.00 0.00 C ATOM 502 CD1 LEU A 33 -7.014 -0.209 1.222 1.00 0.00 C ATOM 503 CD2 LEU A 33 -7.125 -2.150 -0.347 1.00 0.00 C ATOM 0 H LEU A 33 -6.023 1.534 -3.234 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.560 -0.669 -2.020 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.026 1.073 -0.837 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.407 0.241 -1.522 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.352 -1.123 0.237 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.010 -0.910 2.057 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.443 0.679 1.492 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.041 0.076 0.992 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.115 -2.822 0.511 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.156 -1.915 -0.611 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.635 -2.634 -1.192 1.00 0.00 H new ATOM 515 N ILE A 34 -5.455 -2.548 -3.355 1.00 0.00 N ATOM 516 CA ILE A 34 -5.970 -3.697 -4.091 1.00 0.00 C ATOM 517 C ILE A 34 -6.603 -4.739 -3.163 1.00 0.00 C ATOM 518 O ILE A 34 -7.711 -5.209 -3.428 1.00 0.00 O ATOM 519 CB ILE A 34 -4.858 -4.359 -4.945 1.00 0.00 C ATOM 520 CG1 ILE A 34 -4.120 -3.307 -5.786 1.00 0.00 C ATOM 521 CG2 ILE A 34 -5.432 -5.447 -5.842 1.00 0.00 C ATOM 522 CD1 ILE A 34 -5.021 -2.517 -6.713 1.00 0.00 C ATOM 0 H ILE A 34 -4.494 -2.651 -3.030 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.748 -3.319 -4.754 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.144 -4.821 -4.263 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.608 -2.615 -5.117 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.352 -3.804 -6.379 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.630 -5.894 -6.430 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.903 -6.214 -5.228 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.174 -5.012 -6.512 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.425 -1.795 -7.272 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.513 -3.197 -7.408 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.774 -1.990 -6.127 1.00 0.00 H new ATOM 534 N SER A 35 -5.908 -5.098 -2.080 1.00 0.00 N ATOM 535 CA SER A 35 -6.429 -6.094 -1.140 1.00 0.00 C ATOM 536 C SER A 35 -5.900 -5.876 0.280 1.00 0.00 C ATOM 537 O SER A 35 -4.688 -5.816 0.491 1.00 0.00 O ATOM 538 CB SER A 35 -6.047 -7.498 -1.615 1.00 0.00 C ATOM 539 OG SER A 35 -6.612 -8.494 -0.778 1.00 0.00 O ATOM 0 H SER A 35 -4.994 -4.719 -1.834 1.00 0.00 H new ATOM 0 HA SER A 35 -7.513 -5.985 -1.112 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.389 -7.644 -2.640 1.00 0.00 H new ATOM 0 HB3 SER A 35 -4.962 -7.599 -1.624 1.00 0.00 H new ATOM 0 HG SER A 35 -5.897 -8.966 -0.302 1.00 0.00 H new ATOM 545 N LYS A 36 -6.813 -5.765 1.253 1.00 0.00 N ATOM 546 CA LYS A 36 -6.413 -5.582 2.650 1.00 0.00 C ATOM 547 C LYS A 36 -6.022 -6.923 3.281 1.00 0.00 C ATOM 548 O LYS A 36 -5.346 -6.957 4.310 1.00 0.00 O ATOM 549 CB LYS A 36 -7.529 -4.925 3.470 1.00 0.00 C ATOM 550 CG LYS A 36 -7.614 -3.414 3.319 1.00 0.00 C ATOM 551 CD LYS A 36 -8.689 -2.835 4.226 1.00 0.00 C ATOM 552 CE LYS A 36 -8.735 -1.318 4.149 1.00 0.00 C ATOM 553 NZ LYS A 36 -9.790 -0.750 5.035 1.00 0.00 N ATOM 0 H LYS A 36 -7.821 -5.798 1.100 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.548 -4.919 2.658 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.484 -5.361 3.177 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.379 -5.165 4.523 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.650 -2.966 3.560 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.833 -3.160 2.282 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.660 -3.243 3.945 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.500 -3.141 5.255 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.765 -0.910 4.432 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.921 -1.012 3.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.790 0.287 4.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.719 -1.119 4.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.598 -1.021 6.021 1.00 0.00 H new ATOM 567 N GLU A 37 -6.451 -8.023 2.655 1.00 0.00 N ATOM 568 CA GLU A 37 -6.139 -9.366 3.128 1.00 0.00 C ATOM 569 C GLU A 37 -5.280 -10.074 2.090 1.00 0.00 C ATOM 570 O GLU A 37 -5.801 -10.753 1.202 1.00 0.00 O ATOM 571 CB GLU A 37 -7.411 -10.164 3.422 1.00 0.00 C ATOM 572 CG GLU A 37 -8.027 -9.849 4.777 1.00 0.00 C ATOM 573 CD GLU A 37 -8.533 -8.421 4.879 1.00 0.00 C ATOM 574 OE1 GLU A 37 -9.507 -8.082 4.174 1.00 0.00 O ATOM 575 OE2 GLU A 37 -7.958 -7.642 5.669 1.00 0.00 O ATOM 0 H GLU A 37 -7.022 -8.003 1.810 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.586 -9.291 4.064 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.145 -9.962 2.642 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.181 -11.228 3.375 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.853 -10.536 4.963 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.285 -10.023 5.557 1.00 0.00 H new ATOM 582 N THR A 38 -3.968 -9.907 2.194 1.00 0.00 N ATOM 583 CA THR A 38 -3.054 -10.514 1.230 1.00 0.00 C ATOM 584 C THR A 38 -2.380 -11.780 1.781 1.00 0.00 C ATOM 585 O THR A 38 -1.523 -12.370 1.119 1.00 0.00 O ATOM 586 CB THR A 38 -1.998 -9.496 0.748 1.00 0.00 C ATOM 587 OG1 THR A 38 -1.068 -10.122 -0.143 1.00 0.00 O ATOM 588 CG2 THR A 38 -1.254 -8.872 1.920 1.00 0.00 C ATOM 0 H THR A 38 -3.514 -9.362 2.928 1.00 0.00 H new ATOM 0 HA THR A 38 -3.656 -10.818 0.374 1.00 0.00 H new ATOM 0 HB THR A 38 -2.523 -8.703 0.216 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.041 -11.085 0.036 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.518 -8.160 1.546 1.00 0.00 H new ATOM 0 HG22 THR A 38 -1.963 -8.355 2.567 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.748 -9.653 2.487 1.00 0.00 H new ATOM 596 N GLY A 39 -2.774 -12.202 2.989 1.00 0.00 N ATOM 597 CA GLY A 39 -2.203 -13.401 3.581 1.00 0.00 C ATOM 598 C GLY A 39 -1.308 -13.125 4.783 1.00 0.00 C ATOM 599 O GLY A 39 -0.768 -14.056 5.383 1.00 0.00 O ATOM 0 H GLY A 39 -3.476 -11.734 3.562 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.012 -14.065 3.886 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.625 -13.930 2.823 1.00 0.00 H new ATOM 603 N GLU A 40 -1.155 -11.844 5.133 1.00 0.00 N ATOM 604 CA GLU A 40 -0.343 -11.441 6.277 1.00 0.00 C ATOM 605 C GLU A 40 -1.098 -10.400 7.101 1.00 0.00 C ATOM 606 O GLU A 40 -1.568 -9.397 6.558 1.00 0.00 O ATOM 607 CB GLU A 40 0.996 -10.868 5.805 1.00 0.00 C ATOM 608 CG GLU A 40 2.046 -10.785 6.902 1.00 0.00 C ATOM 609 CD GLU A 40 2.621 -12.141 7.263 1.00 0.00 C ATOM 610 OE1 GLU A 40 2.046 -12.815 8.144 1.00 0.00 O ATOM 611 OE2 GLU A 40 3.644 -12.531 6.663 1.00 0.00 O ATOM 0 H GLU A 40 -1.588 -11.066 4.634 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.146 -12.316 6.897 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.380 -11.486 4.993 1.00 0.00 H new ATOM 0 HB3 GLU A 40 0.831 -9.871 5.396 1.00 0.00 H new ATOM 0 HG2 GLU A 40 2.853 -10.127 6.579 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.603 -10.334 7.790 1.00 0.00 H new ATOM 618 N ALA A 41 -1.220 -10.639 8.410 1.00 0.00 N ATOM 619 CA ALA A 41 -1.923 -9.702 9.286 1.00 0.00 C ATOM 620 C ALA A 41 -1.180 -8.372 9.335 1.00 0.00 C ATOM 621 O ALA A 41 0.046 -8.344 9.463 1.00 0.00 O ATOM 622 CB ALA A 41 -2.094 -10.283 10.681 1.00 0.00 C ATOM 0 H ALA A 41 -0.846 -11.463 8.880 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.919 -9.527 8.878 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.620 -9.566 11.312 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.671 -11.206 10.623 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.114 -10.494 11.110 1.00 0.00 H new ATOM 628 N GLY A 42 -1.927 -7.270 9.250 1.00 0.00 N ATOM 629 CA GLY A 42 -1.316 -5.951 9.268 1.00 0.00 C ATOM 630 C GLY A 42 -0.630 -5.597 7.953 1.00 0.00 C ATOM 631 O GLY A 42 0.114 -4.617 7.890 1.00 0.00 O ATOM 0 H GLY A 42 -2.944 -7.269 9.169 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.080 -5.205 9.486 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.586 -5.905 10.077 1.00 0.00 H new ATOM 635 N TRP A 43 -0.873 -6.391 6.903 1.00 0.00 N ATOM 636 CA TRP A 43 -0.271 -6.144 5.596 1.00 0.00 C ATOM 637 C TRP A 43 -1.337 -5.833 4.556 1.00 0.00 C ATOM 638 O TRP A 43 -2.393 -6.470 4.521 1.00 0.00 O ATOM 639 CB TRP A 43 0.551 -7.353 5.144 1.00 0.00 C ATOM 640 CG TRP A 43 1.881 -7.458 5.823 1.00 0.00 C ATOM 641 CD1 TRP A 43 2.110 -7.654 7.154 1.00 0.00 C ATOM 642 CD2 TRP A 43 3.169 -7.375 5.203 1.00 0.00 C ATOM 643 NE1 TRP A 43 3.460 -7.695 7.401 1.00 0.00 N ATOM 644 CE2 TRP A 43 4.132 -7.526 6.218 1.00 0.00 C ATOM 645 CE3 TRP A 43 3.601 -7.187 3.888 1.00 0.00 C ATOM 646 CZ2 TRP A 43 5.499 -7.496 5.958 1.00 0.00 C ATOM 647 CZ3 TRP A 43 4.958 -7.156 3.631 1.00 0.00 C ATOM 648 CH2 TRP A 43 5.893 -7.310 4.661 1.00 0.00 C ATOM 0 H TRP A 43 -1.482 -7.208 6.937 1.00 0.00 H new ATOM 0 HA TRP A 43 0.388 -5.281 5.692 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -0.019 -8.262 5.336 1.00 0.00 H new ATOM 0 HB3 TRP A 43 0.705 -7.295 4.067 1.00 0.00 H new ATOM 0 HD1 TRP A 43 1.341 -7.761 7.904 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.892 -7.829 8.315 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.887 -7.068 3.087 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.222 -7.615 6.751 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.303 -7.010 2.618 1.00 0.00 H new ATOM 0 HH2 TRP A 43 6.947 -7.281 4.427 1.00 0.00 H new ATOM 659 N TRP A 44 -1.038 -4.859 3.703 1.00 0.00 N ATOM 660 CA TRP A 44 -1.946 -4.454 2.638 1.00 0.00 C ATOM 661 C TRP A 44 -1.262 -4.590 1.282 1.00 0.00 C ATOM 662 O TRP A 44 -0.038 -4.502 1.178 1.00 0.00 O ATOM 663 CB TRP A 44 -2.422 -3.009 2.834 1.00 0.00 C ATOM 664 CG TRP A 44 -3.401 -2.828 3.958 1.00 0.00 C ATOM 665 CD1 TRP A 44 -3.996 -3.808 4.701 1.00 0.00 C ATOM 666 CD2 TRP A 44 -3.908 -1.585 4.457 1.00 0.00 C ATOM 667 NE1 TRP A 44 -4.835 -3.249 5.633 1.00 0.00 N ATOM 668 CE2 TRP A 44 -4.799 -1.888 5.503 1.00 0.00 C ATOM 669 CE3 TRP A 44 -3.691 -0.244 4.123 1.00 0.00 C ATOM 670 CZ2 TRP A 44 -5.475 -0.902 6.216 1.00 0.00 C ATOM 671 CZ3 TRP A 44 -4.365 0.734 4.833 1.00 0.00 C ATOM 672 CH2 TRP A 44 -5.246 0.400 5.868 1.00 0.00 C ATOM 0 H TRP A 44 -0.165 -4.332 3.730 1.00 0.00 H new ATOM 0 HA TRP A 44 -2.816 -5.110 2.673 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.555 -2.375 3.018 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.881 -2.661 1.908 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -3.831 -4.868 4.574 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -5.394 -3.765 6.312 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.011 0.023 3.327 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -6.156 -1.156 7.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -4.208 1.773 4.584 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -5.756 1.188 6.403 1.00 0.00 H new ATOM 683 N LYS A 45 -2.067 -4.799 0.245 1.00 0.00 N ATOM 684 CA LYS A 45 -1.549 -4.938 -1.110 1.00 0.00 C ATOM 685 C LYS A 45 -2.038 -3.776 -1.964 1.00 0.00 C ATOM 686 O LYS A 45 -3.234 -3.486 -2.003 1.00 0.00 O ATOM 687 CB LYS A 45 -1.969 -6.270 -1.736 1.00 0.00 C ATOM 688 CG LYS A 45 -1.394 -6.483 -3.130 1.00 0.00 C ATOM 689 CD LYS A 45 -1.919 -7.754 -3.776 1.00 0.00 C ATOM 690 CE LYS A 45 -1.395 -7.911 -5.199 1.00 0.00 C ATOM 691 NZ LYS A 45 -1.831 -6.794 -6.086 1.00 0.00 N ATOM 0 H LYS A 45 -3.081 -4.876 0.318 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.460 -4.924 -1.064 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.648 -7.086 -1.089 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.057 -6.313 -1.788 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.642 -5.628 -3.759 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.307 -6.530 -3.070 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.622 -8.617 -3.180 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.009 -7.735 -3.788 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.306 -7.954 -5.181 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.745 -8.858 -5.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.645 -7.046 -7.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.849 -6.625 -5.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.303 -5.931 -5.843 1.00 0.00 H new ATOM 705 N GLY A 46 -1.110 -3.116 -2.646 1.00 0.00 N ATOM 706 CA GLY A 46 -1.474 -1.984 -3.475 1.00 0.00 C ATOM 707 C GLY A 46 -0.672 -1.900 -4.758 1.00 0.00 C ATOM 708 O GLY A 46 0.220 -2.718 -5.000 1.00 0.00 O ATOM 0 H GLY A 46 -0.116 -3.344 -2.640 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.534 -2.048 -3.721 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.334 -1.065 -2.906 1.00 0.00 H new ATOM 712 N GLU A 47 -0.996 -0.905 -5.579 1.00 0.00 N ATOM 713 CA GLU A 47 -0.314 -0.696 -6.851 1.00 0.00 C ATOM 714 C GLU A 47 0.240 0.727 -6.935 1.00 0.00 C ATOM 715 O GLU A 47 -0.449 1.695 -6.603 1.00 0.00 O ATOM 716 CB GLU A 47 -1.277 -0.967 -8.012 1.00 0.00 C ATOM 717 CG GLU A 47 -0.580 -1.244 -9.338 1.00 0.00 C ATOM 718 CD GLU A 47 -0.499 -0.018 -10.226 1.00 0.00 C ATOM 719 OE1 GLU A 47 0.489 0.736 -10.109 1.00 0.00 O ATOM 720 OE2 GLU A 47 -1.425 0.189 -11.038 1.00 0.00 O ATOM 0 H GLU A 47 -1.732 -0.227 -5.383 1.00 0.00 H new ATOM 0 HA GLU A 47 0.522 -1.392 -6.919 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.906 -1.820 -7.758 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.937 -0.108 -8.132 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.427 -1.614 -9.144 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.114 -2.035 -9.866 1.00 0.00 H new ATOM 727 N LEU A 48 1.487 0.839 -7.383 1.00 0.00 N ATOM 728 CA LEU A 48 2.155 2.133 -7.523 1.00 0.00 C ATOM 729 C LEU A 48 3.220 2.069 -8.616 1.00 0.00 C ATOM 730 O LEU A 48 4.117 1.225 -8.574 1.00 0.00 O ATOM 731 CB LEU A 48 2.783 2.565 -6.195 1.00 0.00 C ATOM 732 CG LEU A 48 3.371 3.979 -6.185 1.00 0.00 C ATOM 733 CD1 LEU A 48 2.288 5.015 -6.450 1.00 0.00 C ATOM 734 CD2 LEU A 48 4.064 4.258 -4.860 1.00 0.00 C ATOM 0 H LEU A 48 2.061 0.042 -7.658 1.00 0.00 H new ATOM 0 HA LEU A 48 1.407 2.873 -7.807 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.026 2.497 -5.414 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.572 1.858 -5.937 1.00 0.00 H new ATOM 0 HG LEU A 48 4.110 4.047 -6.983 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.728 6.012 -6.438 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.837 4.829 -7.425 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.523 4.947 -5.677 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.476 5.267 -4.870 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.344 4.168 -4.047 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.870 3.539 -4.712 1.00 0.00 H new ATOM 746 N ASN A 49 3.102 2.968 -9.598 1.00 0.00 N ATOM 747 CA ASN A 49 4.053 3.031 -10.709 1.00 0.00 C ATOM 748 C ASN A 49 4.050 1.728 -11.512 1.00 0.00 C ATOM 749 O ASN A 49 5.087 1.296 -12.019 1.00 0.00 O ATOM 750 CB ASN A 49 5.464 3.345 -10.193 1.00 0.00 C ATOM 751 CG ASN A 49 5.534 4.649 -9.411 1.00 0.00 C ATOM 752 OD1 ASN A 49 6.225 4.736 -8.397 1.00 0.00 O ATOM 753 ND2 ASN A 49 4.832 5.678 -9.884 1.00 0.00 N ATOM 0 H ASN A 49 2.356 3.662 -9.645 1.00 0.00 H new ATOM 0 HA ASN A 49 3.741 3.836 -11.375 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.803 2.527 -9.557 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.151 3.397 -11.038 1.00 0.00 H new ATOM 0 HD21 ASN A 49 4.856 6.577 -9.402 1.00 0.00 H new ATOM 0 HD22 ASN A 49 4.270 5.567 -10.728 1.00 0.00 H new ATOM 760 N GLY A 50 2.862 1.119 -11.640 1.00 0.00 N ATOM 761 CA GLY A 50 2.721 -0.109 -12.403 1.00 0.00 C ATOM 762 C GLY A 50 3.177 -1.365 -11.677 1.00 0.00 C ATOM 763 O GLY A 50 3.106 -2.455 -12.249 1.00 0.00 O ATOM 0 H GLY A 50 1.996 1.462 -11.224 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.675 -0.228 -12.684 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.290 -0.013 -13.328 1.00 0.00 H new ATOM 767 N LYS A 51 3.641 -1.245 -10.427 1.00 0.00 N ATOM 768 CA LYS A 51 4.101 -2.408 -9.673 1.00 0.00 C ATOM 769 C LYS A 51 3.112 -2.771 -8.565 1.00 0.00 C ATOM 770 O LYS A 51 2.668 -1.908 -7.806 1.00 0.00 O ATOM 771 CB LYS A 51 5.480 -2.132 -9.060 1.00 0.00 C ATOM 772 CG LYS A 51 6.625 -2.142 -10.065 1.00 0.00 C ATOM 773 CD LYS A 51 6.598 -0.914 -10.964 1.00 0.00 C ATOM 774 CE LYS A 51 7.785 -0.881 -11.916 1.00 0.00 C ATOM 775 NZ LYS A 51 9.076 -0.667 -11.200 1.00 0.00 N ATOM 0 H LYS A 51 3.706 -0.360 -9.923 1.00 0.00 H new ATOM 0 HA LYS A 51 4.173 -3.248 -10.364 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.456 -1.162 -8.563 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.680 -2.879 -8.292 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.575 -2.182 -9.533 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.564 -3.042 -10.677 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.672 -0.905 -11.538 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.601 -0.014 -10.349 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.830 -1.818 -12.470 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.641 -0.085 -12.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.830 -0.483 -11.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.987 0.148 -10.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.312 -1.517 -10.649 1.00 0.00 H new ATOM 789 N GLU A 52 2.773 -4.059 -8.486 1.00 0.00 N ATOM 790 CA GLU A 52 1.841 -4.564 -7.474 1.00 0.00 C ATOM 791 C GLU A 52 2.593 -5.347 -6.396 1.00 0.00 C ATOM 792 O GLU A 52 3.550 -6.061 -6.702 1.00 0.00 O ATOM 793 CB GLU A 52 0.792 -5.476 -8.126 1.00 0.00 C ATOM 794 CG GLU A 52 1.389 -6.598 -8.961 1.00 0.00 C ATOM 795 CD GLU A 52 0.351 -7.602 -9.420 1.00 0.00 C ATOM 796 OE1 GLU A 52 0.071 -8.554 -8.662 1.00 0.00 O ATOM 797 OE2 GLU A 52 -0.181 -7.439 -10.539 1.00 0.00 O ATOM 0 H GLU A 52 3.133 -4.777 -9.115 1.00 0.00 H new ATOM 0 HA GLU A 52 1.343 -3.711 -7.014 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.166 -5.910 -7.346 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.141 -4.872 -8.758 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.886 -6.172 -9.832 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.153 -7.112 -8.378 1.00 0.00 H new ATOM 804 N GLY A 53 2.169 -5.215 -5.135 1.00 0.00 N ATOM 805 CA GLY A 53 2.835 -5.942 -4.064 1.00 0.00 C ATOM 806 C GLY A 53 2.226 -5.717 -2.690 1.00 0.00 C ATOM 807 O GLY A 53 1.313 -4.904 -2.528 1.00 0.00 O ATOM 0 H GLY A 53 1.389 -4.627 -4.841 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.808 -7.008 -4.291 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.884 -5.648 -4.037 1.00 0.00 H new ATOM 811 N VAL A 54 2.751 -6.439 -1.699 1.00 0.00 N ATOM 812 CA VAL A 54 2.266 -6.348 -0.323 1.00 0.00 C ATOM 813 C VAL A 54 3.142 -5.407 0.496 1.00 0.00 C ATOM 814 O VAL A 54 4.258 -5.071 0.088 1.00 0.00 O ATOM 815 CB VAL A 54 2.231 -7.735 0.356 1.00 0.00 C ATOM 816 CG1 VAL A 54 1.439 -8.714 -0.492 1.00 0.00 C ATOM 817 CG2 VAL A 54 3.639 -8.258 0.612 1.00 0.00 C ATOM 0 H VAL A 54 3.519 -7.098 -1.827 1.00 0.00 H new ATOM 0 HA VAL A 54 1.251 -5.954 -0.364 1.00 0.00 H new ATOM 0 HB VAL A 54 1.737 -7.630 1.322 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.422 -9.688 -0.003 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.419 -8.350 -0.611 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.907 -8.808 -1.472 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.583 -9.236 1.091 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.172 -8.348 -0.335 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.172 -7.565 1.264 1.00 0.00 H new ATOM 827 N PHE A 55 2.629 -5.003 1.664 1.00 0.00 N ATOM 828 CA PHE A 55 3.354 -4.084 2.544 1.00 0.00 C ATOM 829 C PHE A 55 2.522 -3.636 3.752 1.00 0.00 C ATOM 830 O PHE A 55 1.336 -3.333 3.614 1.00 0.00 O ATOM 831 CB PHE A 55 3.769 -2.829 1.756 1.00 0.00 C ATOM 832 CG PHE A 55 2.596 -2.000 1.288 1.00 0.00 C ATOM 833 CD1 PHE A 55 1.957 -2.281 0.090 1.00 0.00 C ATOM 834 CD2 PHE A 55 2.126 -0.944 2.058 1.00 0.00 C ATOM 835 CE1 PHE A 55 0.876 -1.526 -0.330 1.00 0.00 C ATOM 836 CE2 PHE A 55 1.048 -0.188 1.642 1.00 0.00 C ATOM 837 CZ PHE A 55 0.422 -0.479 0.448 1.00 0.00 C ATOM 0 H PHE A 55 1.719 -5.297 2.019 1.00 0.00 H new ATOM 0 HA PHE A 55 4.224 -4.628 2.913 1.00 0.00 H new ATOM 0 HB2 PHE A 55 4.414 -2.212 2.382 1.00 0.00 H new ATOM 0 HB3 PHE A 55 4.359 -3.131 0.891 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.307 -3.099 -0.523 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.610 -0.711 2.995 1.00 0.00 H new ATOM 0 HE1 PHE A 55 0.388 -1.755 -1.266 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.695 0.631 2.251 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.422 0.111 0.122 1.00 0.00 H new ATOM 847 N PRO A 56 3.133 -3.619 4.962 1.00 0.00 N ATOM 848 CA PRO A 56 2.489 -3.097 6.172 1.00 0.00 C ATOM 849 C PRO A 56 1.917 -1.728 5.898 1.00 0.00 C ATOM 850 O PRO A 56 2.422 -0.985 5.061 1.00 0.00 O ATOM 851 CB PRO A 56 3.631 -2.997 7.201 1.00 0.00 C ATOM 852 CG PRO A 56 4.892 -3.313 6.454 1.00 0.00 C ATOM 853 CD PRO A 56 4.492 -4.101 5.240 1.00 0.00 C ATOM 0 HA PRO A 56 1.670 -3.727 6.518 1.00 0.00 H new ATOM 0 HB2 PRO A 56 3.676 -1.999 7.637 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.478 -3.697 8.022 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.411 -2.398 6.167 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.578 -3.886 7.078 1.00 0.00 H new ATOM 0 HD2 PRO A 56 5.164 -3.918 4.401 1.00 0.00 H new ATOM 0 HD3 PRO A 56 4.508 -5.174 5.433 1.00 0.00 H new ATOM 861 N ASP A 57 0.862 -1.393 6.640 1.00 0.00 N ATOM 862 CA ASP A 57 0.138 -0.146 6.427 1.00 0.00 C ATOM 863 C ASP A 57 0.460 0.945 7.453 1.00 0.00 C ATOM 864 O ASP A 57 -0.322 1.891 7.591 1.00 0.00 O ATOM 865 CB ASP A 57 -1.377 -0.428 6.458 1.00 0.00 C ATOM 866 CG ASP A 57 -1.860 -1.078 7.741 1.00 0.00 C ATOM 867 OD1 ASP A 57 -2.089 -0.351 8.732 1.00 0.00 O ATOM 868 OD2 ASP A 57 -2.030 -2.316 7.750 1.00 0.00 O ATOM 0 H ASP A 57 0.491 -1.971 7.395 1.00 0.00 H new ATOM 0 HA ASP A 57 0.458 0.233 5.456 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -1.913 0.510 6.314 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.633 -1.073 5.618 1.00 0.00 H new ATOM 873 N ASN A 58 1.590 0.856 8.179 1.00 0.00 N ATOM 874 CA ASN A 58 1.906 1.868 9.192 1.00 0.00 C ATOM 875 C ASN A 58 2.625 3.076 8.585 1.00 0.00 C ATOM 876 O ASN A 58 2.774 4.105 9.244 1.00 0.00 O ATOM 877 CB ASN A 58 2.778 1.261 10.301 1.00 0.00 C ATOM 878 CG ASN A 58 2.101 0.103 11.016 1.00 0.00 C ATOM 879 OD1 ASN A 58 2.250 -1.054 10.626 1.00 0.00 O ATOM 880 ND2 ASN A 58 1.359 0.410 12.076 1.00 0.00 N ATOM 0 H ASN A 58 2.281 0.112 8.084 1.00 0.00 H new ATOM 0 HA ASN A 58 0.960 2.209 9.612 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.718 0.916 9.870 1.00 0.00 H new ATOM 0 HB3 ASN A 58 3.025 2.035 11.027 1.00 0.00 H new ATOM 0 HD21 ASN A 58 0.887 -0.328 12.599 1.00 0.00 H new ATOM 0 HD22 ASN A 58 1.262 1.383 12.366 1.00 0.00 H new ATOM 887 N PHE A 59 3.068 2.955 7.328 1.00 0.00 N ATOM 888 CA PHE A 59 3.757 4.054 6.659 1.00 0.00 C ATOM 889 C PHE A 59 2.799 4.826 5.750 1.00 0.00 C ATOM 890 O PHE A 59 3.236 5.655 4.955 1.00 0.00 O ATOM 891 CB PHE A 59 4.950 3.539 5.845 1.00 0.00 C ATOM 892 CG PHE A 59 6.096 3.054 6.689 1.00 0.00 C ATOM 893 CD1 PHE A 59 7.010 3.951 7.215 1.00 0.00 C ATOM 894 CD2 PHE A 59 6.256 1.705 6.955 1.00 0.00 C ATOM 895 CE1 PHE A 59 8.065 3.513 7.991 1.00 0.00 C ATOM 896 CE2 PHE A 59 7.309 1.260 7.732 1.00 0.00 C ATOM 897 CZ PHE A 59 8.215 2.165 8.250 1.00 0.00 C ATOM 0 H PHE A 59 2.961 2.113 6.762 1.00 0.00 H new ATOM 0 HA PHE A 59 4.127 4.730 7.430 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.615 2.725 5.202 1.00 0.00 H new ATOM 0 HB3 PHE A 59 5.304 4.337 5.192 1.00 0.00 H new ATOM 0 HD1 PHE A 59 6.897 5.006 7.016 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.551 0.993 6.551 1.00 0.00 H new ATOM 0 HE1 PHE A 59 8.771 4.223 8.395 1.00 0.00 H new ATOM 0 HE2 PHE A 59 7.423 0.205 7.934 1.00 0.00 H new ATOM 0 HZ PHE A 59 9.039 1.819 8.856 1.00 0.00 H new ATOM 907 N ALA A 60 1.493 4.534 5.849 1.00 0.00 N ATOM 908 CA ALA A 60 0.486 5.218 5.047 1.00 0.00 C ATOM 909 C ALA A 60 -0.848 5.286 5.796 1.00 0.00 C ATOM 910 O ALA A 60 -1.151 4.419 6.620 1.00 0.00 O ATOM 911 CB ALA A 60 0.314 4.511 3.708 1.00 0.00 C ATOM 0 H ALA A 60 1.116 3.826 6.480 1.00 0.00 H new ATOM 0 HA ALA A 60 0.823 6.238 4.863 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.440 5.030 3.117 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.262 4.515 3.170 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.003 3.482 3.878 1.00 0.00 H new ATOM 917 N VAL A 61 -1.640 6.316 5.502 1.00 0.00 N ATOM 918 CA VAL A 61 -2.948 6.498 6.132 1.00 0.00 C ATOM 919 C VAL A 61 -4.042 6.509 5.066 1.00 0.00 C ATOM 920 O VAL A 61 -3.899 7.143 4.018 1.00 0.00 O ATOM 921 CB VAL A 61 -3.013 7.803 6.962 1.00 0.00 C ATOM 922 CG1 VAL A 61 -2.919 9.032 6.067 1.00 0.00 C ATOM 923 CG2 VAL A 61 -4.284 7.841 7.800 1.00 0.00 C ATOM 0 H VAL A 61 -1.397 7.042 4.827 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.104 5.662 6.814 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.156 7.816 7.635 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.968 9.933 6.679 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.975 9.014 5.522 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.747 9.030 5.358 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.312 8.766 8.377 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.154 7.796 7.144 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.297 6.989 8.480 1.00 0.00 H new ATOM 933 N GLN A 62 -5.133 5.800 5.345 1.00 0.00 N ATOM 934 CA GLN A 62 -6.280 5.754 4.444 1.00 0.00 C ATOM 935 C GLN A 62 -7.168 6.978 4.664 1.00 0.00 C ATOM 936 O GLN A 62 -7.487 7.316 5.806 1.00 0.00 O ATOM 937 CB GLN A 62 -7.087 4.475 4.688 1.00 0.00 C ATOM 938 CG GLN A 62 -8.181 4.237 3.657 1.00 0.00 C ATOM 939 CD GLN A 62 -8.709 2.812 3.675 1.00 0.00 C ATOM 940 OE1 GLN A 62 -7.987 1.872 4.010 1.00 0.00 O ATOM 941 NE2 GLN A 62 -9.974 2.644 3.306 1.00 0.00 N ATOM 0 H GLN A 62 -5.246 5.246 6.194 1.00 0.00 H new ATOM 0 HA GLN A 62 -5.920 5.757 3.415 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.408 3.622 4.688 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.538 4.524 5.679 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -9.004 4.927 3.842 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.793 4.463 2.664 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.538 3.450 3.036 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.382 1.709 3.293 1.00 0.00 H new ATOM 950 N ILE A 63 -7.568 7.644 3.577 1.00 0.00 N ATOM 951 CA ILE A 63 -8.410 8.838 3.684 1.00 0.00 C ATOM 952 C ILE A 63 -9.767 8.498 4.304 1.00 0.00 C ATOM 953 O ILE A 63 -10.261 9.221 5.170 1.00 0.00 O ATOM 954 CB ILE A 63 -8.620 9.523 2.314 1.00 0.00 C ATOM 955 CG1 ILE A 63 -7.269 9.882 1.679 1.00 0.00 C ATOM 956 CG2 ILE A 63 -9.480 10.772 2.469 1.00 0.00 C ATOM 957 CD1 ILE A 63 -6.380 10.731 2.566 1.00 0.00 C ATOM 0 H ILE A 63 -7.325 7.380 2.622 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.884 9.536 4.335 1.00 0.00 H new ATOM 0 HB ILE A 63 -9.137 8.824 1.656 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -6.741 8.962 1.426 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -7.448 10.414 0.745 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.618 11.242 1.495 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.451 10.496 2.880 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.987 11.472 3.143 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -5.445 10.943 2.048 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -6.886 11.668 2.798 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.169 10.194 3.491 1.00 0.00 H new ATOM 969 N SER A 64 -10.362 7.384 3.855 1.00 0.00 N ATOM 970 CA SER A 64 -11.666 6.954 4.351 1.00 0.00 C ATOM 971 C SER A 64 -11.815 5.437 4.247 1.00 0.00 C ATOM 972 O SER A 64 -11.752 4.764 5.297 1.00 0.00 O ATOM 973 CB SER A 64 -12.788 7.651 3.570 1.00 0.00 C ATOM 974 OG SER A 64 -12.749 9.056 3.756 1.00 0.00 O ATOM 975 OXT SER A 64 -11.983 4.930 3.115 1.00 0.00 O ATOM 0 H SER A 64 -9.957 6.768 3.150 1.00 0.00 H new ATOM 0 HA SER A 64 -11.740 7.234 5.402 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.693 7.420 2.509 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.754 7.266 3.895 1.00 0.00 H new ATOM 0 HG SER A 64 -13.474 9.474 3.246 1.00 0.00 H new TER 981 SER A 64