USER MOD reduce.3.24.130724 H: found=0, std=0, add=440, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 440 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 24 ASN : amide:sc= -2.15 K(o=-1.5,f=-21!) USER MOD Set 1.2: A 31 GLN : amide:sc= 0.691 K(o=-1.5,f=-23!) USER MOD Single : A 1 ARG N :NH3+ 147:sc= -0.0182 (180deg=-1.43) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -9:sc= 1.02 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.0254) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0379 USER MOD Single : A 35 TYR OH : rot 112:sc= -3.08! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -1.25! C(o=-1.2!,f=-18!) USER MOD Single : A 44 ASN : amide:sc= -8.05! C(o=-8.1!,f=-13!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0.436 USER MOD Single : A 52 MET CE :methyl -175:sc= -0.154 (180deg=-0.205) USER MOD Single : A 54 THR OG1 : rot 100:sc= 0.906 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 14.042 -3.481 4.837 1.00 0.00 N ATOM 2 CA ARG A 1 12.592 -3.306 4.535 1.00 0.00 C ATOM 3 C ARG A 1 11.838 -4.617 4.772 1.00 0.00 C ATOM 4 O ARG A 1 12.413 -5.686 4.713 1.00 0.00 O ATOM 5 CB ARG A 1 12.540 -2.922 3.057 1.00 0.00 C ATOM 6 CG ARG A 1 13.269 -3.985 2.237 1.00 0.00 C ATOM 7 CD ARG A 1 12.945 -3.802 0.754 1.00 0.00 C ATOM 8 NE ARG A 1 13.917 -2.781 0.276 1.00 0.00 N ATOM 9 CZ ARG A 1 14.851 -3.117 -0.571 1.00 0.00 C ATOM 10 NH1 ARG A 1 15.491 -4.245 -0.425 1.00 0.00 N ATOM 11 NH2 ARG A 1 15.148 -2.325 -1.564 1.00 0.00 N ATOM 0 H1 ARG A 1 14.604 -2.878 4.203 1.00 0.00 H new ATOM 0 H2 ARG A 1 14.226 -3.211 5.824 1.00 0.00 H new ATOM 0 H3 ARG A 1 14.309 -4.476 4.694 1.00 0.00 H new ATOM 0 HA ARG A 1 12.127 -2.553 5.171 1.00 0.00 H new ATOM 0 HB2 ARG A 1 11.505 -2.837 2.727 1.00 0.00 H new ATOM 0 HB3 ARG A 1 13.004 -1.947 2.905 1.00 0.00 H new ATOM 0 HG2 ARG A 1 14.344 -3.907 2.397 1.00 0.00 H new ATOM 0 HG3 ARG A 1 12.969 -4.980 2.565 1.00 0.00 H new ATOM 0 HD2 ARG A 1 13.054 -4.738 0.207 1.00 0.00 H new ATOM 0 HD3 ARG A 1 11.917 -3.467 0.612 1.00 0.00 H new ATOM 0 HE ARG A 1 13.853 -1.819 0.610 1.00 0.00 H new ATOM 0 HH11 ARG A 1 15.261 -4.865 0.352 1.00 0.00 H new ATOM 0 HH12 ARG A 1 16.221 -4.507 -1.088 1.00 0.00 H new ATOM 0 HH21 ARG A 1 14.650 -1.442 -1.679 1.00 0.00 H new ATOM 0 HH22 ARG A 1 15.878 -2.588 -2.226 1.00 0.00 H new ATOM 27 N PRO A 2 10.567 -4.483 5.029 1.00 0.00 N ATOM 28 CA PRO A 2 9.703 -5.666 5.275 1.00 0.00 C ATOM 29 C PRO A 2 9.442 -6.429 3.981 1.00 0.00 C ATOM 30 O PRO A 2 9.751 -5.970 2.899 1.00 0.00 O ATOM 31 CB PRO A 2 8.412 -5.063 5.802 1.00 0.00 C ATOM 32 CG PRO A 2 8.386 -3.665 5.267 1.00 0.00 C ATOM 33 CD PRO A 2 9.818 -3.226 5.115 1.00 0.00 C ATOM 0 HA PRO A 2 10.156 -6.380 5.963 1.00 0.00 H new ATOM 0 HB2 PRO A 2 7.545 -5.631 5.464 1.00 0.00 H new ATOM 0 HB3 PRO A 2 8.391 -5.068 6.892 1.00 0.00 H new ATOM 0 HG2 PRO A 2 7.867 -3.628 4.309 1.00 0.00 H new ATOM 0 HG3 PRO A 2 7.849 -3.002 5.946 1.00 0.00 H new ATOM 0 HD2 PRO A 2 9.956 -2.617 4.222 1.00 0.00 H new ATOM 0 HD3 PRO A 2 10.143 -2.625 5.964 1.00 0.00 H new ATOM 41 N ASP A 3 8.871 -7.595 4.088 1.00 0.00 N ATOM 42 CA ASP A 3 8.577 -8.393 2.871 1.00 0.00 C ATOM 43 C ASP A 3 7.164 -8.079 2.382 1.00 0.00 C ATOM 44 O ASP A 3 6.846 -8.259 1.223 1.00 0.00 O ATOM 45 CB ASP A 3 8.685 -9.853 3.320 1.00 0.00 C ATOM 46 CG ASP A 3 8.772 -10.765 2.093 1.00 0.00 C ATOM 47 OD1 ASP A 3 7.952 -10.609 1.203 1.00 0.00 O ATOM 48 OD2 ASP A 3 9.655 -11.605 2.067 1.00 0.00 O ATOM 0 H ASP A 3 8.595 -8.029 4.969 1.00 0.00 H new ATOM 0 HA ASP A 3 9.258 -8.175 2.048 1.00 0.00 H new ATOM 0 HB2 ASP A 3 9.566 -9.986 3.947 1.00 0.00 H new ATOM 0 HB3 ASP A 3 7.819 -10.123 3.925 1.00 0.00 H new ATOM 53 N PHE A 4 6.307 -7.609 3.253 1.00 0.00 N ATOM 54 CA PHE A 4 4.916 -7.293 2.801 1.00 0.00 C ATOM 55 C PHE A 4 4.920 -6.097 1.845 1.00 0.00 C ATOM 56 O PHE A 4 4.010 -5.917 1.060 1.00 0.00 O ATOM 57 CB PHE A 4 4.076 -7.009 4.057 1.00 0.00 C ATOM 58 CG PHE A 4 4.639 -5.861 4.871 1.00 0.00 C ATOM 59 CD1 PHE A 4 4.492 -4.527 4.449 1.00 0.00 C ATOM 60 CD2 PHE A 4 5.293 -6.137 6.077 1.00 0.00 C ATOM 61 CE1 PHE A 4 5.005 -3.490 5.232 1.00 0.00 C ATOM 62 CE2 PHE A 4 5.800 -5.095 6.856 1.00 0.00 C ATOM 63 CZ PHE A 4 5.657 -3.772 6.433 1.00 0.00 C ATOM 0 H PHE A 4 6.503 -7.433 4.238 1.00 0.00 H new ATOM 0 HA PHE A 4 4.487 -8.131 2.252 1.00 0.00 H new ATOM 0 HB2 PHE A 4 3.052 -6.777 3.763 1.00 0.00 H new ATOM 0 HB3 PHE A 4 4.035 -7.906 4.676 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.984 -4.305 3.522 1.00 0.00 H new ATOM 0 HD2 PHE A 4 5.406 -7.159 6.406 1.00 0.00 H new ATOM 0 HE1 PHE A 4 4.897 -2.466 4.906 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.303 -5.313 7.787 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.051 -2.967 7.035 1.00 0.00 H new ATOM 73 N CYS A 5 5.940 -5.286 1.895 1.00 0.00 N ATOM 74 CA CYS A 5 5.997 -4.109 0.980 1.00 0.00 C ATOM 75 C CYS A 5 6.489 -4.538 -0.404 1.00 0.00 C ATOM 76 O CYS A 5 6.295 -3.846 -1.384 1.00 0.00 O ATOM 77 CB CYS A 5 6.995 -3.154 1.629 1.00 0.00 C ATOM 78 SG CYS A 5 6.097 -1.779 2.383 1.00 0.00 S ATOM 0 H CYS A 5 6.734 -5.386 2.527 1.00 0.00 H new ATOM 0 HA CYS A 5 5.020 -3.647 0.840 1.00 0.00 H new ATOM 0 HB2 CYS A 5 7.581 -3.679 2.384 1.00 0.00 H new ATOM 0 HB3 CYS A 5 7.697 -2.780 0.883 1.00 0.00 H new ATOM 83 N LEU A 6 7.123 -5.674 -0.492 1.00 0.00 N ATOM 84 CA LEU A 6 7.629 -6.144 -1.815 1.00 0.00 C ATOM 85 C LEU A 6 6.466 -6.642 -2.674 1.00 0.00 C ATOM 86 O LEU A 6 6.536 -6.651 -3.887 1.00 0.00 O ATOM 87 CB LEU A 6 8.586 -7.293 -1.492 1.00 0.00 C ATOM 88 CG LEU A 6 9.553 -6.861 -0.388 1.00 0.00 C ATOM 89 CD1 LEU A 6 10.641 -7.923 -0.215 1.00 0.00 C ATOM 90 CD2 LEU A 6 10.196 -5.527 -0.771 1.00 0.00 C ATOM 0 H LEU A 6 7.313 -6.297 0.293 1.00 0.00 H new ATOM 0 HA LEU A 6 8.123 -5.349 -2.374 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.023 -8.170 -1.173 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.142 -7.579 -2.385 1.00 0.00 H new ATOM 0 HG LEU A 6 9.008 -6.747 0.549 1.00 0.00 H new ATOM 0 HD11 LEU A 6 11.329 -7.614 0.572 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.182 -8.873 0.057 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.188 -8.039 -1.151 1.00 0.00 H new ATOM 0 HD21 LEU A 6 10.886 -5.217 0.014 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.741 -5.641 -1.708 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.420 -4.771 -0.892 1.00 0.00 H new ATOM 102 N GLU A 7 5.395 -7.055 -2.055 1.00 0.00 N ATOM 103 CA GLU A 7 4.229 -7.549 -2.839 1.00 0.00 C ATOM 104 C GLU A 7 3.421 -6.370 -3.391 1.00 0.00 C ATOM 105 O GLU A 7 3.538 -5.259 -2.917 1.00 0.00 O ATOM 106 CB GLU A 7 3.392 -8.351 -1.842 1.00 0.00 C ATOM 107 CG GLU A 7 4.250 -9.465 -1.237 1.00 0.00 C ATOM 108 CD GLU A 7 3.963 -9.573 0.261 1.00 0.00 C ATOM 109 OE1 GLU A 7 3.014 -8.952 0.709 1.00 0.00 O ATOM 110 OE2 GLU A 7 4.699 -10.275 0.936 1.00 0.00 O ATOM 0 H GLU A 7 5.277 -7.072 -1.042 1.00 0.00 H new ATOM 0 HA GLU A 7 4.534 -8.152 -3.694 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.019 -7.696 -1.055 1.00 0.00 H new ATOM 0 HB3 GLU A 7 2.522 -8.778 -2.341 1.00 0.00 H new ATOM 0 HG2 GLU A 7 4.033 -10.413 -1.729 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.307 -9.255 -1.401 1.00 0.00 H new ATOM 117 N PRO A 8 2.622 -6.663 -4.378 1.00 0.00 N ATOM 118 CA PRO A 8 1.776 -5.622 -5.014 1.00 0.00 C ATOM 119 C PRO A 8 0.671 -5.174 -4.054 1.00 0.00 C ATOM 120 O PRO A 8 0.444 -5.794 -3.035 1.00 0.00 O ATOM 121 CB PRO A 8 1.192 -6.333 -6.235 1.00 0.00 C ATOM 122 CG PRO A 8 1.238 -7.787 -5.890 1.00 0.00 C ATOM 123 CD PRO A 8 2.428 -7.981 -4.988 1.00 0.00 C ATOM 0 HA PRO A 8 2.327 -4.720 -5.279 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.171 -6.006 -6.432 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.774 -6.121 -7.132 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.320 -8.095 -5.390 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.331 -8.395 -6.790 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.239 -8.746 -4.235 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.308 -8.296 -5.549 1.00 0.00 H new ATOM 131 N PRO A 9 0.021 -4.102 -4.415 1.00 0.00 N ATOM 132 CA PRO A 9 -1.072 -3.557 -3.574 1.00 0.00 C ATOM 133 C PRO A 9 -2.300 -4.472 -3.630 1.00 0.00 C ATOM 134 O PRO A 9 -2.478 -5.233 -4.559 1.00 0.00 O ATOM 135 CB PRO A 9 -1.364 -2.197 -4.202 1.00 0.00 C ATOM 136 CG PRO A 9 -0.901 -2.316 -5.619 1.00 0.00 C ATOM 137 CD PRO A 9 0.235 -3.306 -5.630 1.00 0.00 C ATOM 0 HA PRO A 9 -0.807 -3.481 -2.520 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.427 -1.960 -4.153 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.835 -1.400 -3.680 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.713 -2.654 -6.263 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.573 -1.349 -6.000 1.00 0.00 H new ATOM 0 HD2 PRO A 9 0.214 -3.929 -6.524 1.00 0.00 H new ATOM 0 HD3 PRO A 9 1.203 -2.804 -5.614 1.00 0.00 H new ATOM 145 N TYR A 10 -3.145 -4.407 -2.635 1.00 0.00 N ATOM 146 CA TYR A 10 -4.359 -5.279 -2.622 1.00 0.00 C ATOM 147 C TYR A 10 -5.630 -4.440 -2.555 1.00 0.00 C ATOM 148 O TYR A 10 -6.098 -4.084 -1.492 1.00 0.00 O ATOM 149 CB TYR A 10 -4.218 -6.134 -1.362 1.00 0.00 C ATOM 150 CG TYR A 10 -5.232 -7.250 -1.405 1.00 0.00 C ATOM 151 CD1 TYR A 10 -5.105 -8.271 -2.351 1.00 0.00 C ATOM 152 CD2 TYR A 10 -6.305 -7.258 -0.507 1.00 0.00 C ATOM 153 CE1 TYR A 10 -6.049 -9.302 -2.401 1.00 0.00 C ATOM 154 CE2 TYR A 10 -7.252 -8.288 -0.557 1.00 0.00 C ATOM 155 CZ TYR A 10 -7.122 -9.310 -1.504 1.00 0.00 C ATOM 156 OH TYR A 10 -8.056 -10.323 -1.556 1.00 0.00 O ATOM 0 H TYR A 10 -3.048 -3.788 -1.830 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.433 -5.884 -3.526 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -3.210 -6.544 -1.297 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.371 -5.522 -0.473 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.277 -8.264 -3.044 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.403 -6.470 0.225 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.949 -10.091 -3.132 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -8.082 -8.294 0.134 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.734 -10.178 -0.864 1.00 0.00 H new ATOM 166 N THR A 11 -6.210 -4.150 -3.684 1.00 0.00 N ATOM 167 CA THR A 11 -7.471 -3.365 -3.688 1.00 0.00 C ATOM 168 C THR A 11 -8.496 -4.090 -2.817 1.00 0.00 C ATOM 169 O THR A 11 -9.427 -3.502 -2.307 1.00 0.00 O ATOM 170 CB THR A 11 -7.908 -3.327 -5.159 1.00 0.00 C ATOM 171 OG1 THR A 11 -7.263 -2.242 -5.813 1.00 0.00 O ATOM 172 CG2 THR A 11 -9.426 -3.145 -5.254 1.00 0.00 C ATOM 0 H THR A 11 -5.865 -4.423 -4.604 1.00 0.00 H new ATOM 0 HA THR A 11 -7.361 -2.356 -3.290 1.00 0.00 H new ATOM 0 HB THR A 11 -7.631 -4.267 -5.637 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.805 -1.685 -5.149 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.725 -3.119 -6.302 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.924 -3.976 -4.755 1.00 0.00 H new ATOM 0 HG23 THR A 11 -9.711 -2.210 -4.773 1.00 0.00 H new ATOM 180 N GLY A 12 -8.322 -5.373 -2.645 1.00 0.00 N ATOM 181 CA GLY A 12 -9.278 -6.153 -1.800 1.00 0.00 C ATOM 182 C GLY A 12 -10.681 -6.129 -2.421 1.00 0.00 C ATOM 183 O GLY A 12 -10.887 -5.563 -3.477 1.00 0.00 O ATOM 0 H GLY A 12 -7.560 -5.916 -3.052 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.933 -7.183 -1.705 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.311 -5.733 -0.795 1.00 0.00 H new ATOM 187 N PRO A 13 -11.600 -6.755 -1.731 1.00 0.00 N ATOM 188 CA PRO A 13 -13.011 -6.828 -2.201 1.00 0.00 C ATOM 189 C PRO A 13 -13.702 -5.465 -2.056 1.00 0.00 C ATOM 190 O PRO A 13 -13.061 -4.434 -2.040 1.00 0.00 O ATOM 191 CB PRO A 13 -13.640 -7.864 -1.268 1.00 0.00 C ATOM 192 CG PRO A 13 -12.800 -7.834 -0.031 1.00 0.00 C ATOM 193 CD PRO A 13 -11.407 -7.457 -0.455 1.00 0.00 C ATOM 0 HA PRO A 13 -13.100 -7.096 -3.254 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -14.678 -7.616 -1.046 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -13.639 -8.855 -1.721 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -13.194 -7.113 0.685 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.803 -8.806 0.461 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -10.925 -6.817 0.284 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -10.775 -8.337 -0.575 1.00 0.00 H new ATOM 201 N CYS A 14 -15.007 -5.452 -1.951 1.00 0.00 N ATOM 202 CA CYS A 14 -15.737 -4.156 -1.803 1.00 0.00 C ATOM 203 C CYS A 14 -15.557 -3.298 -3.058 1.00 0.00 C ATOM 204 O CYS A 14 -14.592 -3.434 -3.784 1.00 0.00 O ATOM 205 CB CYS A 14 -15.103 -3.470 -0.588 1.00 0.00 C ATOM 206 SG CYS A 14 -14.921 -4.662 0.762 1.00 0.00 S ATOM 0 H CYS A 14 -15.599 -6.283 -1.961 1.00 0.00 H new ATOM 0 HA CYS A 14 -16.809 -4.304 -1.671 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -14.130 -3.060 -0.857 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -15.723 -2.634 -0.266 1.00 0.00 H new ATOM 211 N LYS A 15 -16.480 -2.415 -3.320 1.00 0.00 N ATOM 212 CA LYS A 15 -16.360 -1.550 -4.526 1.00 0.00 C ATOM 213 C LYS A 15 -15.803 -0.178 -4.133 1.00 0.00 C ATOM 214 O LYS A 15 -15.721 0.725 -4.944 1.00 0.00 O ATOM 215 CB LYS A 15 -17.788 -1.426 -5.063 1.00 0.00 C ATOM 216 CG LYS A 15 -18.128 -2.668 -5.891 1.00 0.00 C ATOM 217 CD LYS A 15 -18.944 -3.642 -5.039 1.00 0.00 C ATOM 218 CE LYS A 15 -19.600 -4.690 -5.942 1.00 0.00 C ATOM 219 NZ LYS A 15 -21.062 -4.412 -5.854 1.00 0.00 N ATOM 0 H LYS A 15 -17.312 -2.255 -2.751 1.00 0.00 H new ATOM 0 HA LYS A 15 -15.682 -1.963 -5.273 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -18.491 -1.322 -4.237 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -17.882 -0.530 -5.676 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -18.693 -2.383 -6.778 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -17.213 -3.149 -6.237 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -18.299 -4.130 -4.308 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -19.707 -3.100 -4.480 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -19.243 -4.606 -6.968 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -19.369 -5.701 -5.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -21.581 -5.091 -6.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -21.374 -4.506 -4.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -21.252 -3.445 -6.187 1.00 0.00 H new ATOM 233 N ALA A 16 -15.411 -0.017 -2.897 1.00 0.00 N ATOM 234 CA ALA A 16 -14.854 1.292 -2.459 1.00 0.00 C ATOM 235 C ALA A 16 -13.763 1.751 -3.430 1.00 0.00 C ATOM 236 O ALA A 16 -13.323 1.007 -4.285 1.00 0.00 O ATOM 237 CB ALA A 16 -14.270 1.024 -1.073 1.00 0.00 C ATOM 0 H ALA A 16 -15.453 -0.735 -2.174 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.606 2.080 -2.437 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.837 1.943 -0.677 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.060 0.678 -0.406 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -13.496 0.260 -1.146 1.00 0.00 H new ATOM 243 N ARG A 17 -13.330 2.974 -3.307 1.00 0.00 N ATOM 244 CA ARG A 17 -12.273 3.491 -4.221 1.00 0.00 C ATOM 245 C ARG A 17 -11.481 4.598 -3.525 1.00 0.00 C ATOM 246 O ARG A 17 -11.930 5.721 -3.406 1.00 0.00 O ATOM 247 CB ARG A 17 -13.032 4.039 -5.431 1.00 0.00 C ATOM 248 CG ARG A 17 -14.191 4.916 -4.955 1.00 0.00 C ATOM 249 CD ARG A 17 -15.520 4.233 -5.290 1.00 0.00 C ATOM 250 NE ARG A 17 -15.559 4.176 -6.778 1.00 0.00 N ATOM 251 CZ ARG A 17 -16.228 5.074 -7.448 1.00 0.00 C ATOM 252 NH1 ARG A 17 -17.362 5.528 -6.985 1.00 0.00 N ATOM 253 NH2 ARG A 17 -15.765 5.517 -8.587 1.00 0.00 N ATOM 0 H ARG A 17 -13.663 3.640 -2.611 1.00 0.00 H new ATOM 0 HA ARG A 17 -11.555 2.723 -4.511 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -12.359 4.619 -6.063 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -13.410 3.217 -6.039 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -14.117 5.083 -3.880 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -14.142 5.894 -5.434 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -15.572 3.235 -4.855 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -16.365 4.797 -4.894 1.00 0.00 H new ATOM 0 HE ARG A 17 -15.063 3.435 -7.273 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -17.726 5.181 -6.098 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -17.883 6.230 -7.511 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -14.881 5.161 -8.952 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -16.287 6.219 -9.111 1.00 0.00 H new ATOM 267 N ILE A 18 -10.307 4.284 -3.055 1.00 0.00 N ATOM 268 CA ILE A 18 -9.482 5.307 -2.356 1.00 0.00 C ATOM 269 C ILE A 18 -8.040 5.253 -2.862 1.00 0.00 C ATOM 270 O ILE A 18 -7.529 4.203 -3.195 1.00 0.00 O ATOM 271 CB ILE A 18 -9.550 4.918 -0.880 1.00 0.00 C ATOM 272 CG1 ILE A 18 -10.973 5.142 -0.365 1.00 0.00 C ATOM 273 CG2 ILE A 18 -8.570 5.772 -0.073 1.00 0.00 C ATOM 274 CD1 ILE A 18 -11.011 4.898 1.143 1.00 0.00 C ATOM 0 H ILE A 18 -9.882 3.360 -3.125 1.00 0.00 H new ATOM 0 HA ILE A 18 -9.840 6.322 -2.528 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.282 3.868 -0.768 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -11.297 6.159 -0.588 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.665 4.469 -0.871 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.623 5.490 0.979 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.557 5.610 -0.442 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.831 6.825 -0.180 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -12.024 5.057 1.512 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.705 3.873 1.354 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.331 5.589 1.641 1.00 0.00 H new ATOM 286 N ILE A 19 -7.382 6.376 -2.926 1.00 0.00 N ATOM 287 CA ILE A 19 -5.974 6.383 -3.415 1.00 0.00 C ATOM 288 C ILE A 19 -5.006 6.197 -2.241 1.00 0.00 C ATOM 289 O ILE A 19 -4.502 7.149 -1.675 1.00 0.00 O ATOM 290 CB ILE A 19 -5.789 7.752 -4.072 1.00 0.00 C ATOM 291 CG1 ILE A 19 -6.752 7.877 -5.259 1.00 0.00 C ATOM 292 CG2 ILE A 19 -4.349 7.894 -4.567 1.00 0.00 C ATOM 293 CD1 ILE A 19 -6.387 6.850 -6.334 1.00 0.00 C ATOM 0 H ILE A 19 -7.756 7.287 -2.662 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.771 5.573 -4.115 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.999 8.536 -3.345 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.777 7.719 -4.925 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.704 8.884 -5.674 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.220 8.870 -5.035 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.664 7.802 -3.724 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.136 7.112 -5.295 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.074 6.943 -7.175 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.368 7.029 -6.677 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.458 5.846 -5.917 1.00 0.00 H new ATOM 305 N ARG A 20 -4.746 4.970 -1.876 1.00 0.00 N ATOM 306 CA ARG A 20 -3.812 4.703 -0.743 1.00 0.00 C ATOM 307 C ARG A 20 -2.385 4.545 -1.270 1.00 0.00 C ATOM 308 O ARG A 20 -2.150 4.585 -2.460 1.00 0.00 O ATOM 309 CB ARG A 20 -4.301 3.396 -0.122 1.00 0.00 C ATOM 310 CG ARG A 20 -5.552 3.664 0.718 1.00 0.00 C ATOM 311 CD ARG A 20 -5.147 3.931 2.170 1.00 0.00 C ATOM 312 NE ARG A 20 -6.286 4.697 2.755 1.00 0.00 N ATOM 313 CZ ARG A 20 -6.486 5.946 2.427 1.00 0.00 C ATOM 314 NH1 ARG A 20 -5.496 6.683 2.000 1.00 0.00 N ATOM 315 NH2 ARG A 20 -7.681 6.460 2.535 1.00 0.00 N ATOM 0 H ARG A 20 -5.141 4.138 -2.315 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.799 5.516 -0.017 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.524 2.671 -0.905 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.519 2.962 0.501 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.095 4.520 0.318 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.226 2.808 0.669 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.979 2.999 2.710 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.220 4.501 2.222 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.914 4.242 3.417 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.560 6.284 1.921 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.658 7.657 1.745 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.454 5.887 2.874 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.842 7.434 2.280 1.00 0.00 H new ATOM 329 N TYR A 21 -1.430 4.367 -0.398 1.00 0.00 N ATOM 330 CA TYR A 21 -0.023 4.215 -0.868 1.00 0.00 C ATOM 331 C TYR A 21 0.517 2.815 -0.578 1.00 0.00 C ATOM 332 O TYR A 21 0.091 2.147 0.343 1.00 0.00 O ATOM 333 CB TYR A 21 0.774 5.250 -0.074 1.00 0.00 C ATOM 334 CG TYR A 21 0.481 6.632 -0.601 1.00 0.00 C ATOM 335 CD1 TYR A 21 -0.617 7.346 -0.108 1.00 0.00 C ATOM 336 CD2 TYR A 21 1.309 7.202 -1.576 1.00 0.00 C ATOM 337 CE1 TYR A 21 -0.889 8.631 -0.591 1.00 0.00 C ATOM 338 CE2 TYR A 21 1.037 8.487 -2.059 1.00 0.00 C ATOM 339 CZ TYR A 21 -0.061 9.203 -1.566 1.00 0.00 C ATOM 340 OH TYR A 21 -0.327 10.470 -2.041 1.00 0.00 O ATOM 0 H TYR A 21 -1.561 4.320 0.612 1.00 0.00 H new ATOM 0 HA TYR A 21 0.049 4.359 -1.946 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.514 5.191 0.983 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.841 5.039 -0.152 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.254 6.906 0.645 1.00 0.00 H new ATOM 0 HD2 TYR A 21 2.157 6.650 -1.955 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.737 9.182 -0.212 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.674 8.927 -2.812 1.00 0.00 H new ATOM 0 HH TYR A 21 0.344 10.716 -2.711 1.00 0.00 H new ATOM 350 N PHE A 22 1.475 2.382 -1.353 1.00 0.00 N ATOM 351 CA PHE A 22 2.084 1.040 -1.129 1.00 0.00 C ATOM 352 C PHE A 22 3.522 1.040 -1.654 1.00 0.00 C ATOM 353 O PHE A 22 3.878 1.813 -2.521 1.00 0.00 O ATOM 354 CB PHE A 22 1.197 0.051 -1.889 1.00 0.00 C ATOM 355 CG PHE A 22 1.553 0.025 -3.357 1.00 0.00 C ATOM 356 CD1 PHE A 22 0.962 0.938 -4.239 1.00 0.00 C ATOM 357 CD2 PHE A 22 2.464 -0.924 -3.837 1.00 0.00 C ATOM 358 CE1 PHE A 22 1.286 0.904 -5.602 1.00 0.00 C ATOM 359 CE2 PHE A 22 2.786 -0.960 -5.198 1.00 0.00 C ATOM 360 CZ PHE A 22 2.198 -0.045 -6.081 1.00 0.00 C ATOM 0 H PHE A 22 1.864 2.905 -2.137 1.00 0.00 H new ATOM 0 HA PHE A 22 2.136 0.769 -0.074 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.312 -0.947 -1.465 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.150 0.329 -1.770 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.257 1.668 -3.869 1.00 0.00 H new ATOM 0 HD2 PHE A 22 2.918 -1.629 -3.156 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.833 1.609 -6.283 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.488 -1.693 -5.568 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.448 -0.071 -7.131 1.00 0.00 H new ATOM 370 N TYR A 23 4.353 0.195 -1.121 1.00 0.00 N ATOM 371 CA TYR A 23 5.782 0.164 -1.570 1.00 0.00 C ATOM 372 C TYR A 23 5.944 -0.695 -2.830 1.00 0.00 C ATOM 373 O TYR A 23 5.891 -1.908 -2.772 1.00 0.00 O ATOM 374 CB TYR A 23 6.555 -0.459 -0.406 1.00 0.00 C ATOM 375 CG TYR A 23 8.023 -0.533 -0.762 1.00 0.00 C ATOM 376 CD1 TYR A 23 8.812 0.624 -0.732 1.00 0.00 C ATOM 377 CD2 TYR A 23 8.593 -1.756 -1.129 1.00 0.00 C ATOM 378 CE1 TYR A 23 10.170 0.556 -1.069 1.00 0.00 C ATOM 379 CE2 TYR A 23 9.950 -1.824 -1.468 1.00 0.00 C ATOM 380 CZ TYR A 23 10.738 -0.669 -1.437 1.00 0.00 C ATOM 381 OH TYR A 23 12.075 -0.737 -1.772 1.00 0.00 O ATOM 0 H TYR A 23 4.112 -0.478 -0.394 1.00 0.00 H new ATOM 0 HA TYR A 23 6.143 1.161 -1.822 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.418 0.136 0.497 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.170 -1.456 -0.192 1.00 0.00 H new ATOM 0 HD1 TYR A 23 8.373 1.569 -0.449 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.986 -2.649 -1.151 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.778 1.448 -1.045 1.00 0.00 H new ATOM 0 HE2 TYR A 23 10.388 -2.769 -1.754 1.00 0.00 H new ATOM 0 HH TYR A 23 12.308 -1.661 -2.001 1.00 0.00 H new ATOM 391 N ASN A 24 6.159 -0.079 -3.963 1.00 0.00 N ATOM 392 CA ASN A 24 6.342 -0.869 -5.216 1.00 0.00 C ATOM 393 C ASN A 24 7.771 -1.403 -5.291 1.00 0.00 C ATOM 394 O ASN A 24 8.682 -0.704 -5.687 1.00 0.00 O ATOM 395 CB ASN A 24 6.099 0.117 -6.356 1.00 0.00 C ATOM 396 CG ASN A 24 6.159 -0.633 -7.689 1.00 0.00 C ATOM 397 OD1 ASN A 24 6.759 -1.685 -7.782 1.00 0.00 O ATOM 398 ND2 ASN A 24 5.563 -0.128 -8.734 1.00 0.00 N ATOM 0 H ASN A 24 6.216 0.933 -4.075 1.00 0.00 H new ATOM 0 HA ASN A 24 5.666 -1.723 -5.261 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.127 0.596 -6.238 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.849 0.908 -6.335 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.601 -0.617 -9.629 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.059 0.755 -8.656 1.00 0.00 H new ATOM 405 N ALA A 25 7.982 -2.634 -4.923 1.00 0.00 N ATOM 406 CA ALA A 25 9.359 -3.193 -4.989 1.00 0.00 C ATOM 407 C ALA A 25 9.950 -2.936 -6.376 1.00 0.00 C ATOM 408 O ALA A 25 11.151 -2.902 -6.559 1.00 0.00 O ATOM 409 CB ALA A 25 9.191 -4.690 -4.739 1.00 0.00 C ATOM 0 H ALA A 25 7.265 -3.274 -4.581 1.00 0.00 H new ATOM 0 HA ALA A 25 10.034 -2.739 -4.263 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.166 -5.176 -4.772 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.740 -4.847 -3.759 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.547 -5.117 -5.507 1.00 0.00 H new ATOM 415 N LYS A 26 9.106 -2.749 -7.355 1.00 0.00 N ATOM 416 CA LYS A 26 9.599 -2.488 -8.736 1.00 0.00 C ATOM 417 C LYS A 26 10.062 -1.037 -8.866 1.00 0.00 C ATOM 418 O LYS A 26 10.860 -0.704 -9.720 1.00 0.00 O ATOM 419 CB LYS A 26 8.390 -2.744 -9.637 1.00 0.00 C ATOM 420 CG LYS A 26 8.838 -3.446 -10.918 1.00 0.00 C ATOM 421 CD LYS A 26 7.717 -3.371 -11.955 1.00 0.00 C ATOM 422 CE LYS A 26 6.793 -4.580 -11.798 1.00 0.00 C ATOM 423 NZ LYS A 26 5.585 -4.053 -11.103 1.00 0.00 N ATOM 0 H LYS A 26 8.091 -2.766 -7.256 1.00 0.00 H new ATOM 0 HA LYS A 26 10.449 -3.118 -8.999 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.658 -3.358 -9.112 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.900 -1.801 -9.880 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.741 -2.976 -11.307 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.086 -4.487 -10.708 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.151 -2.448 -11.827 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.138 -3.350 -12.960 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.536 -5.009 -12.767 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.270 -5.369 -11.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.095 -4.832 -10.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.871 -3.337 -10.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.944 -3.621 -11.799 1.00 0.00 H new ATOM 437 N ALA A 27 9.559 -0.167 -8.032 1.00 0.00 N ATOM 438 CA ALA A 27 9.968 1.265 -8.120 1.00 0.00 C ATOM 439 C ALA A 27 11.031 1.590 -7.066 1.00 0.00 C ATOM 440 O ALA A 27 11.677 2.616 -7.124 1.00 0.00 O ATOM 441 CB ALA A 27 8.689 2.056 -7.843 1.00 0.00 C ATOM 0 H ALA A 27 8.886 -0.384 -7.297 1.00 0.00 H new ATOM 0 HA ALA A 27 10.403 1.506 -9.090 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.904 3.124 -7.889 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.937 1.805 -8.591 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.313 1.804 -6.851 1.00 0.00 H new ATOM 447 N GLY A 28 11.213 0.735 -6.097 1.00 0.00 N ATOM 448 CA GLY A 28 12.227 1.021 -5.043 1.00 0.00 C ATOM 449 C GLY A 28 11.641 2.019 -4.041 1.00 0.00 C ATOM 450 O GLY A 28 12.291 2.427 -3.102 1.00 0.00 O ATOM 0 H GLY A 28 10.707 -0.144 -5.990 1.00 0.00 H new ATOM 0 HA2 GLY A 28 12.510 0.100 -4.534 1.00 0.00 H new ATOM 0 HA3 GLY A 28 13.133 1.428 -5.493 1.00 0.00 H new ATOM 454 N LEU A 29 10.410 2.408 -4.236 1.00 0.00 N ATOM 455 CA LEU A 29 9.766 3.369 -3.308 1.00 0.00 C ATOM 456 C LEU A 29 8.284 3.007 -3.160 1.00 0.00 C ATOM 457 O LEU A 29 7.913 1.852 -3.224 1.00 0.00 O ATOM 458 CB LEU A 29 9.943 4.737 -3.978 1.00 0.00 C ATOM 459 CG LEU A 29 9.458 4.675 -5.430 1.00 0.00 C ATOM 460 CD1 LEU A 29 8.039 5.236 -5.526 1.00 0.00 C ATOM 461 CD2 LEU A 29 10.392 5.508 -6.313 1.00 0.00 C ATOM 0 H LEU A 29 9.821 2.095 -5.008 1.00 0.00 H new ATOM 0 HA LEU A 29 10.198 3.361 -2.307 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.382 5.495 -3.431 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.992 5.033 -3.948 1.00 0.00 H new ATOM 0 HG LEU A 29 9.460 3.638 -5.766 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.699 5.190 -6.560 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.371 4.646 -4.898 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.034 6.272 -5.188 1.00 0.00 H new ATOM 0 HD21 LEU A 29 10.049 5.466 -7.347 1.00 0.00 H new ATOM 0 HD22 LEU A 29 10.388 6.543 -5.972 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.404 5.109 -6.250 1.00 0.00 H new ATOM 473 N CYS A 30 7.436 3.976 -2.971 1.00 0.00 N ATOM 474 CA CYS A 30 5.986 3.671 -2.825 1.00 0.00 C ATOM 475 C CYS A 30 5.172 4.407 -3.888 1.00 0.00 C ATOM 476 O CYS A 30 5.626 5.358 -4.490 1.00 0.00 O ATOM 477 CB CYS A 30 5.609 4.172 -1.430 1.00 0.00 C ATOM 478 SG CYS A 30 6.515 3.224 -0.184 1.00 0.00 S ATOM 0 H CYS A 30 7.682 4.964 -2.911 1.00 0.00 H new ATOM 0 HA CYS A 30 5.782 2.607 -2.949 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.843 5.232 -1.337 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.536 4.068 -1.272 1.00 0.00 H new ATOM 483 N GLN A 31 3.966 3.971 -4.111 1.00 0.00 N ATOM 484 CA GLN A 31 3.100 4.636 -5.121 1.00 0.00 C ATOM 485 C GLN A 31 1.648 4.605 -4.644 1.00 0.00 C ATOM 486 O GLN A 31 1.359 4.166 -3.549 1.00 0.00 O ATOM 487 CB GLN A 31 3.266 3.811 -6.398 1.00 0.00 C ATOM 488 CG GLN A 31 4.692 3.971 -6.926 1.00 0.00 C ATOM 489 CD GLN A 31 4.859 3.137 -8.197 1.00 0.00 C ATOM 490 OE1 GLN A 31 4.491 1.980 -8.231 1.00 0.00 O ATOM 491 NE2 GLN A 31 5.400 3.680 -9.254 1.00 0.00 N ATOM 0 H GLN A 31 3.540 3.177 -3.634 1.00 0.00 H new ATOM 0 HA GLN A 31 3.369 5.680 -5.283 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.058 2.761 -6.195 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.549 4.138 -7.151 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.898 5.020 -7.137 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.409 3.651 -6.171 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.709 4.652 -9.227 1.00 0.00 H new ATOM 0 HE22 GLN A 31 5.513 3.133 -10.107 1.00 0.00 H new ATOM 500 N THR A 32 0.731 5.062 -5.446 1.00 0.00 N ATOM 501 CA THR A 32 -0.692 5.048 -5.014 1.00 0.00 C ATOM 502 C THR A 32 -1.448 3.900 -5.693 1.00 0.00 C ATOM 503 O THR A 32 -1.210 3.581 -6.840 1.00 0.00 O ATOM 504 CB THR A 32 -1.257 6.396 -5.465 1.00 0.00 C ATOM 505 OG1 THR A 32 -0.938 6.606 -6.834 1.00 0.00 O ATOM 506 CG2 THR A 32 -0.657 7.520 -4.619 1.00 0.00 C ATOM 0 H THR A 32 0.903 5.443 -6.377 1.00 0.00 H new ATOM 0 HA THR A 32 -0.791 4.900 -3.939 1.00 0.00 H new ATOM 0 HB THR A 32 -2.340 6.394 -5.339 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.301 7.468 -7.126 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.063 8.477 -4.945 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.906 7.358 -3.570 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.426 7.526 -4.738 1.00 0.00 H new ATOM 514 N PHE A 33 -2.372 3.290 -4.998 1.00 0.00 N ATOM 515 CA PHE A 33 -3.161 2.178 -5.615 1.00 0.00 C ATOM 516 C PHE A 33 -4.617 2.251 -5.156 1.00 0.00 C ATOM 517 O PHE A 33 -4.935 2.878 -4.166 1.00 0.00 O ATOM 518 CB PHE A 33 -2.494 0.877 -5.149 1.00 0.00 C ATOM 519 CG PHE A 33 -2.899 0.537 -3.726 1.00 0.00 C ATOM 520 CD1 PHE A 33 -2.221 1.112 -2.638 1.00 0.00 C ATOM 521 CD2 PHE A 33 -3.941 -0.372 -3.493 1.00 0.00 C ATOM 522 CE1 PHE A 33 -2.587 0.783 -1.331 1.00 0.00 C ATOM 523 CE2 PHE A 33 -4.304 -0.703 -2.180 1.00 0.00 C ATOM 524 CZ PHE A 33 -3.628 -0.124 -1.099 1.00 0.00 C ATOM 0 H PHE A 33 -2.615 3.511 -4.033 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.171 2.239 -6.703 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.775 0.061 -5.815 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.410 0.978 -5.208 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.415 1.810 -2.813 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -4.464 -0.818 -4.326 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.066 1.229 -0.497 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.105 -1.405 -2.002 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.909 -0.377 -0.087 1.00 0.00 H new ATOM 534 N VAL A 34 -5.506 1.624 -5.875 1.00 0.00 N ATOM 535 CA VAL A 34 -6.946 1.671 -5.481 1.00 0.00 C ATOM 536 C VAL A 34 -7.184 0.783 -4.263 1.00 0.00 C ATOM 537 O VAL A 34 -6.901 -0.398 -4.279 1.00 0.00 O ATOM 538 CB VAL A 34 -7.721 1.135 -6.686 1.00 0.00 C ATOM 539 CG1 VAL A 34 -9.194 0.967 -6.304 1.00 0.00 C ATOM 540 CG2 VAL A 34 -7.609 2.120 -7.854 1.00 0.00 C ATOM 0 H VAL A 34 -5.301 1.083 -6.715 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.262 2.680 -5.216 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.305 0.173 -6.985 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -9.751 0.585 -7.160 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.277 0.265 -5.475 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.605 1.931 -6.005 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -8.163 1.734 -8.710 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -8.024 3.084 -7.558 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.561 2.244 -8.126 1.00 0.00 H new ATOM 550 N TYR A 35 -7.692 1.343 -3.201 1.00 0.00 N ATOM 551 CA TYR A 35 -7.933 0.529 -1.977 1.00 0.00 C ATOM 552 C TYR A 35 -9.421 0.161 -1.872 1.00 0.00 C ATOM 553 O TYR A 35 -10.287 0.950 -2.196 1.00 0.00 O ATOM 554 CB TYR A 35 -7.510 1.445 -0.831 1.00 0.00 C ATOM 555 CG TYR A 35 -7.770 0.763 0.485 1.00 0.00 C ATOM 556 CD1 TYR A 35 -7.626 -0.626 0.589 1.00 0.00 C ATOM 557 CD2 TYR A 35 -8.151 1.516 1.602 1.00 0.00 C ATOM 558 CE1 TYR A 35 -7.861 -1.261 1.814 1.00 0.00 C ATOM 559 CE2 TYR A 35 -8.388 0.880 2.827 1.00 0.00 C ATOM 560 CZ TYR A 35 -8.242 -0.509 2.934 1.00 0.00 C ATOM 561 OH TYR A 35 -8.475 -1.136 4.143 1.00 0.00 O ATOM 0 H TYR A 35 -7.950 2.327 -3.127 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.383 -0.412 -1.974 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.452 1.692 -0.921 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -8.062 2.384 -0.880 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.334 -1.206 -0.274 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -8.262 2.587 1.519 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -7.749 -2.332 1.896 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.683 1.460 3.689 1.00 0.00 H new ATOM 0 HH TYR A 35 -7.781 -0.878 4.785 1.00 0.00 H new ATOM 571 N GLY A 36 -9.724 -1.036 -1.440 1.00 0.00 N ATOM 572 CA GLY A 36 -11.155 -1.456 -1.338 1.00 0.00 C ATOM 573 C GLY A 36 -11.723 -1.100 0.038 1.00 0.00 C ATOM 574 O GLY A 36 -12.880 -1.348 0.315 1.00 0.00 O ATOM 0 H GLY A 36 -9.044 -1.740 -1.154 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -11.740 -0.967 -2.117 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.237 -2.530 -1.505 1.00 0.00 H new ATOM 578 N ALA A 37 -10.929 -0.519 0.901 1.00 0.00 N ATOM 579 CA ALA A 37 -11.444 -0.148 2.257 1.00 0.00 C ATOM 580 C ALA A 37 -11.647 -1.395 3.131 1.00 0.00 C ATOM 581 O ALA A 37 -12.035 -1.295 4.278 1.00 0.00 O ATOM 582 CB ALA A 37 -12.784 0.557 2.007 1.00 0.00 C ATOM 0 H ALA A 37 -9.951 -0.286 0.728 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.740 0.491 2.789 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -13.220 0.858 2.960 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.621 1.439 1.388 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.464 -0.125 1.496 1.00 0.00 H new ATOM 588 N CYS A 38 -11.389 -2.568 2.610 1.00 0.00 N ATOM 589 CA CYS A 38 -11.572 -3.801 3.437 1.00 0.00 C ATOM 590 C CYS A 38 -10.452 -4.814 3.170 1.00 0.00 C ATOM 591 O CYS A 38 -9.747 -4.735 2.185 1.00 0.00 O ATOM 592 CB CYS A 38 -12.923 -4.380 3.011 1.00 0.00 C ATOM 593 SG CYS A 38 -12.953 -4.596 1.215 1.00 0.00 S ATOM 0 H CYS A 38 -11.062 -2.726 1.657 1.00 0.00 H new ATOM 0 HA CYS A 38 -11.540 -3.574 4.503 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -13.092 -5.337 3.505 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -13.729 -3.715 3.321 1.00 0.00 H new ATOM 598 N ARG A 39 -10.292 -5.770 4.050 1.00 0.00 N ATOM 599 CA ARG A 39 -9.229 -6.801 3.862 1.00 0.00 C ATOM 600 C ARG A 39 -7.930 -6.162 3.364 1.00 0.00 C ATOM 601 O ARG A 39 -7.293 -6.654 2.454 1.00 0.00 O ATOM 602 CB ARG A 39 -9.802 -7.758 2.816 1.00 0.00 C ATOM 603 CG ARG A 39 -11.052 -8.435 3.383 1.00 0.00 C ATOM 604 CD ARG A 39 -10.783 -9.929 3.574 1.00 0.00 C ATOM 605 NE ARG A 39 -10.857 -10.148 5.045 1.00 0.00 N ATOM 606 CZ ARG A 39 -10.176 -11.116 5.595 1.00 0.00 C ATOM 607 NH1 ARG A 39 -10.589 -12.349 5.484 1.00 0.00 N ATOM 608 NH2 ARG A 39 -9.081 -10.851 6.254 1.00 0.00 N ATOM 0 H ARG A 39 -10.855 -5.880 4.894 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.978 -7.309 4.793 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.051 -7.213 1.905 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.059 -8.508 2.546 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -11.325 -7.979 4.335 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -11.895 -8.290 2.707 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -11.521 -10.534 3.047 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -9.805 -10.207 3.182 1.00 0.00 H new ATOM 0 HE ARG A 39 -11.440 -9.542 5.622 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -11.444 -12.556 4.967 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -10.057 -13.106 5.914 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.758 -9.887 6.339 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.549 -11.608 6.684 1.00 0.00 H new ATOM 622 N ALA A 40 -7.529 -5.071 3.957 1.00 0.00 N ATOM 623 CA ALA A 40 -6.270 -4.400 3.519 1.00 0.00 C ATOM 624 C ALA A 40 -5.044 -5.191 3.983 1.00 0.00 C ATOM 625 O ALA A 40 -5.046 -5.795 5.037 1.00 0.00 O ATOM 626 CB ALA A 40 -6.300 -3.034 4.200 1.00 0.00 C ATOM 0 H ALA A 40 -8.018 -4.614 4.727 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.205 -4.326 2.433 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.405 -2.473 3.930 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.184 -2.485 3.876 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.332 -3.167 5.281 1.00 0.00 H new ATOM 632 N LYS A 41 -3.992 -5.182 3.209 1.00 0.00 N ATOM 633 CA LYS A 41 -2.760 -5.922 3.613 1.00 0.00 C ATOM 634 C LYS A 41 -1.795 -4.964 4.317 1.00 0.00 C ATOM 635 O LYS A 41 -2.186 -3.917 4.793 1.00 0.00 O ATOM 636 CB LYS A 41 -2.147 -6.433 2.310 1.00 0.00 C ATOM 637 CG LYS A 41 -3.035 -7.529 1.721 1.00 0.00 C ATOM 638 CD LYS A 41 -2.368 -8.106 0.470 1.00 0.00 C ATOM 639 CE LYS A 41 -1.317 -9.140 0.882 1.00 0.00 C ATOM 640 NZ LYS A 41 -0.588 -9.474 -0.375 1.00 0.00 N ATOM 0 H LYS A 41 -3.932 -4.695 2.315 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.974 -6.739 4.302 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -2.044 -5.613 1.599 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.146 -6.822 2.495 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.196 -8.317 2.457 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.015 -7.123 1.470 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.116 -8.569 -0.173 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.901 -7.308 -0.107 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.640 -8.736 1.635 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.783 -10.025 1.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.150 -10.178 -0.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.256 -9.863 -1.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.148 -8.614 -0.760 1.00 0.00 H new ATOM 654 N ARG A 42 -0.538 -5.307 4.382 1.00 0.00 N ATOM 655 CA ARG A 42 0.438 -4.400 5.056 1.00 0.00 C ATOM 656 C ARG A 42 0.941 -3.349 4.065 1.00 0.00 C ATOM 657 O ARG A 42 1.396 -2.288 4.448 1.00 0.00 O ATOM 658 CB ARG A 42 1.596 -5.290 5.523 1.00 0.00 C ATOM 659 CG ARG A 42 1.069 -6.664 5.946 1.00 0.00 C ATOM 660 CD ARG A 42 1.990 -7.260 7.014 1.00 0.00 C ATOM 661 NE ARG A 42 1.751 -8.728 6.949 1.00 0.00 N ATOM 662 CZ ARG A 42 0.585 -9.211 7.279 1.00 0.00 C ATOM 663 NH1 ARG A 42 0.001 -8.811 8.377 1.00 0.00 N ATOM 664 NH2 ARG A 42 0.000 -10.090 6.510 1.00 0.00 N ATOM 0 H ARG A 42 -0.145 -6.168 4.002 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.016 -3.872 5.894 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.324 -5.403 4.720 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.113 -4.818 6.358 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.055 -6.572 6.336 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.019 -7.327 5.083 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.034 -7.020 6.814 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.756 -6.865 8.003 1.00 0.00 H new ATOM 0 HE ARG A 42 2.497 -9.355 6.647 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.457 -8.122 8.975 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.911 -9.188 8.636 1.00 0.00 H new ATOM 0 HH21 ARG A 42 0.455 -10.399 5.651 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -0.912 -10.467 6.769 1.00 0.00 H new ATOM 678 N ASN A 43 0.860 -3.629 2.789 1.00 0.00 N ATOM 679 CA ASN A 43 1.333 -2.633 1.784 1.00 0.00 C ATOM 680 C ASN A 43 0.191 -1.686 1.402 1.00 0.00 C ATOM 681 O ASN A 43 -0.124 -1.502 0.244 1.00 0.00 O ATOM 682 CB ASN A 43 1.784 -3.453 0.574 1.00 0.00 C ATOM 683 CG ASN A 43 2.800 -2.640 -0.234 1.00 0.00 C ATOM 684 OD1 ASN A 43 3.144 -1.534 0.138 1.00 0.00 O ATOM 685 ND2 ASN A 43 3.304 -3.139 -1.331 1.00 0.00 N ATOM 0 H ASN A 43 0.490 -4.497 2.403 1.00 0.00 H new ATOM 0 HA ASN A 43 2.143 -2.015 2.171 1.00 0.00 H new ATOM 0 HB2 ASN A 43 2.230 -4.392 0.902 1.00 0.00 H new ATOM 0 HB3 ASN A 43 0.926 -3.707 -0.048 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.982 -2.602 -1.871 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.019 -4.066 -1.648 1.00 0.00 H new ATOM 692 N ASN A 44 -0.413 -1.076 2.381 1.00 0.00 N ATOM 693 CA ASN A 44 -1.529 -0.117 2.122 1.00 0.00 C ATOM 694 C ASN A 44 -1.419 1.014 3.147 1.00 0.00 C ATOM 695 O ASN A 44 -2.027 0.979 4.198 1.00 0.00 O ATOM 696 CB ASN A 44 -2.815 -0.933 2.326 1.00 0.00 C ATOM 697 CG ASN A 44 -4.041 -0.010 2.399 1.00 0.00 C ATOM 698 OD1 ASN A 44 -3.981 1.059 2.969 1.00 0.00 O ATOM 699 ND2 ASN A 44 -5.163 -0.384 1.834 1.00 0.00 N ATOM 0 H ASN A 44 -0.179 -1.201 3.366 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.511 0.326 1.126 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.936 -1.641 1.506 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.739 -1.517 3.243 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -5.982 0.223 1.875 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.218 -1.282 1.354 1.00 0.00 H new ATOM 706 N PHE A 45 -0.610 1.999 2.865 1.00 0.00 N ATOM 707 CA PHE A 45 -0.426 3.113 3.836 1.00 0.00 C ATOM 708 C PHE A 45 -1.273 4.324 3.432 1.00 0.00 C ATOM 709 O PHE A 45 -1.593 4.518 2.276 1.00 0.00 O ATOM 710 CB PHE A 45 1.071 3.435 3.776 1.00 0.00 C ATOM 711 CG PHE A 45 1.866 2.150 3.888 1.00 0.00 C ATOM 712 CD1 PHE A 45 2.132 1.393 2.740 1.00 0.00 C ATOM 713 CD2 PHE A 45 2.335 1.714 5.136 1.00 0.00 C ATOM 714 CE1 PHE A 45 2.865 0.202 2.835 1.00 0.00 C ATOM 715 CE2 PHE A 45 3.071 0.522 5.232 1.00 0.00 C ATOM 716 CZ PHE A 45 3.335 -0.235 4.080 1.00 0.00 C ATOM 0 H PHE A 45 -0.069 2.080 2.004 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.743 2.846 4.844 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.308 3.942 2.841 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.341 4.114 4.584 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.771 1.728 1.779 1.00 0.00 H new ATOM 0 HD2 PHE A 45 2.130 2.295 6.023 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.068 -0.379 1.948 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.434 0.188 6.193 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.900 -1.153 4.153 1.00 0.00 H new ATOM 726 N LYS A 46 -1.646 5.133 4.386 1.00 0.00 N ATOM 727 CA LYS A 46 -2.483 6.330 4.078 1.00 0.00 C ATOM 728 C LYS A 46 -1.632 7.433 3.446 1.00 0.00 C ATOM 729 O LYS A 46 -2.140 8.320 2.790 1.00 0.00 O ATOM 730 CB LYS A 46 -3.023 6.783 5.435 1.00 0.00 C ATOM 731 CG LYS A 46 -3.968 7.972 5.243 1.00 0.00 C ATOM 732 CD LYS A 46 -4.650 8.294 6.572 1.00 0.00 C ATOM 733 CE LYS A 46 -4.627 9.805 6.799 1.00 0.00 C ATOM 734 NZ LYS A 46 -3.735 10.001 7.975 1.00 0.00 N ATOM 0 H LYS A 46 -1.406 5.017 5.371 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.279 6.105 3.368 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.550 5.962 5.920 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.198 7.064 6.090 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.412 8.839 4.887 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.715 7.739 4.485 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.678 7.932 6.563 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.139 7.784 7.389 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.247 10.331 5.923 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.628 10.191 6.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.668 11.015 8.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.126 9.495 8.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.788 9.630 7.758 1.00 0.00 H new ATOM 748 N SER A 47 -0.346 7.387 3.643 1.00 0.00 N ATOM 749 CA SER A 47 0.532 8.439 3.056 1.00 0.00 C ATOM 750 C SER A 47 1.797 7.818 2.471 1.00 0.00 C ATOM 751 O SER A 47 2.216 6.746 2.858 1.00 0.00 O ATOM 752 CB SER A 47 0.886 9.354 4.225 1.00 0.00 C ATOM 753 OG SER A 47 1.709 8.645 5.141 1.00 0.00 O ATOM 0 H SER A 47 0.136 6.669 4.184 1.00 0.00 H new ATOM 0 HA SER A 47 0.039 8.975 2.245 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.405 10.242 3.863 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.022 9.696 4.723 1.00 0.00 H new ATOM 0 HG SER A 47 1.940 9.229 5.893 1.00 0.00 H new ATOM 759 N ALA A 48 2.413 8.494 1.545 1.00 0.00 N ATOM 760 CA ALA A 48 3.659 7.955 0.934 1.00 0.00 C ATOM 761 C ALA A 48 4.761 7.882 1.995 1.00 0.00 C ATOM 762 O ALA A 48 5.664 7.074 1.915 1.00 0.00 O ATOM 763 CB ALA A 48 4.024 8.960 -0.158 1.00 0.00 C ATOM 0 H ALA A 48 2.108 9.398 1.184 1.00 0.00 H new ATOM 0 HA ALA A 48 3.533 6.950 0.532 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.936 8.636 -0.660 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.212 9.021 -0.883 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.185 9.941 0.289 1.00 0.00 H new ATOM 769 N GLU A 49 4.687 8.725 2.992 1.00 0.00 N ATOM 770 CA GLU A 49 5.726 8.714 4.065 1.00 0.00 C ATOM 771 C GLU A 49 5.522 7.516 4.995 1.00 0.00 C ATOM 772 O GLU A 49 6.467 6.889 5.431 1.00 0.00 O ATOM 773 CB GLU A 49 5.524 10.025 4.827 1.00 0.00 C ATOM 774 CG GLU A 49 6.886 10.591 5.235 1.00 0.00 C ATOM 775 CD GLU A 49 6.793 11.201 6.636 1.00 0.00 C ATOM 776 OE1 GLU A 49 5.896 10.820 7.370 1.00 0.00 O ATOM 777 OE2 GLU A 49 7.621 12.039 6.952 1.00 0.00 O ATOM 0 H GLU A 49 3.951 9.421 3.110 1.00 0.00 H new ATOM 0 HA GLU A 49 6.734 8.629 3.659 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.992 10.743 4.203 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.909 9.854 5.711 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.638 9.802 5.221 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.205 11.348 4.519 1.00 0.00 H new ATOM 784 N ASP A 50 4.298 7.183 5.294 1.00 0.00 N ATOM 785 CA ASP A 50 4.043 6.014 6.184 1.00 0.00 C ATOM 786 C ASP A 50 4.587 4.761 5.507 1.00 0.00 C ATOM 787 O ASP A 50 5.099 3.860 6.142 1.00 0.00 O ATOM 788 CB ASP A 50 2.522 5.938 6.325 1.00 0.00 C ATOM 789 CG ASP A 50 2.139 4.651 7.056 1.00 0.00 C ATOM 790 OD1 ASP A 50 3.035 3.884 7.372 1.00 0.00 O ATOM 791 OD2 ASP A 50 0.959 4.453 7.286 1.00 0.00 O ATOM 0 H ASP A 50 3.464 7.668 4.962 1.00 0.00 H new ATOM 0 HA ASP A 50 4.522 6.104 7.159 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.154 6.804 6.875 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.054 5.963 5.341 1.00 0.00 H new ATOM 796 N CYS A 51 4.498 4.723 4.209 1.00 0.00 N ATOM 797 CA CYS A 51 5.021 3.560 3.446 1.00 0.00 C ATOM 798 C CYS A 51 6.551 3.587 3.490 1.00 0.00 C ATOM 799 O CYS A 51 7.197 2.575 3.678 1.00 0.00 O ATOM 800 CB CYS A 51 4.518 3.775 2.018 1.00 0.00 C ATOM 801 SG CYS A 51 5.069 2.409 0.967 1.00 0.00 S ATOM 0 H CYS A 51 4.080 5.457 3.638 1.00 0.00 H new ATOM 0 HA CYS A 51 4.696 2.600 3.846 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.430 3.837 2.011 1.00 0.00 H new ATOM 0 HB3 CYS A 51 4.893 4.721 1.628 1.00 0.00 H new ATOM 806 N MET A 52 7.132 4.747 3.312 1.00 0.00 N ATOM 807 CA MET A 52 8.620 4.851 3.339 1.00 0.00 C ATOM 808 C MET A 52 9.142 4.657 4.766 1.00 0.00 C ATOM 809 O MET A 52 10.029 3.865 5.007 1.00 0.00 O ATOM 810 CB MET A 52 8.934 6.261 2.831 1.00 0.00 C ATOM 811 CG MET A 52 9.876 6.170 1.627 1.00 0.00 C ATOM 812 SD MET A 52 9.272 7.245 0.302 1.00 0.00 S ATOM 813 CE MET A 52 10.258 6.533 -1.035 1.00 0.00 C ATOM 0 H MET A 52 6.639 5.625 3.149 1.00 0.00 H new ATOM 0 HA MET A 52 9.096 4.087 2.725 1.00 0.00 H new ATOM 0 HB2 MET A 52 8.013 6.771 2.548 1.00 0.00 H new ATOM 0 HB3 MET A 52 9.395 6.851 3.623 1.00 0.00 H new ATOM 0 HG2 MET A 52 10.884 6.465 1.918 1.00 0.00 H new ATOM 0 HG3 MET A 52 9.935 5.140 1.275 1.00 0.00 H new ATOM 0 HE1 MET A 52 10.107 7.112 -1.946 1.00 0.00 H new ATOM 0 HE2 MET A 52 11.313 6.556 -0.761 1.00 0.00 H new ATOM 0 HE3 MET A 52 9.949 5.502 -1.205 1.00 0.00 H new ATOM 823 N ARG A 53 8.597 5.367 5.717 1.00 0.00 N ATOM 824 CA ARG A 53 9.070 5.202 7.124 1.00 0.00 C ATOM 825 C ARG A 53 8.958 3.732 7.535 1.00 0.00 C ATOM 826 O ARG A 53 9.634 3.272 8.433 1.00 0.00 O ATOM 827 CB ARG A 53 8.135 6.068 7.972 1.00 0.00 C ATOM 828 CG ARG A 53 8.696 6.182 9.393 1.00 0.00 C ATOM 829 CD ARG A 53 7.745 5.491 10.375 1.00 0.00 C ATOM 830 NE ARG A 53 6.756 6.538 10.756 1.00 0.00 N ATOM 831 CZ ARG A 53 6.920 7.238 11.849 1.00 0.00 C ATOM 832 NH1 ARG A 53 8.056 7.202 12.491 1.00 0.00 N ATOM 833 NH2 ARG A 53 5.943 7.980 12.296 1.00 0.00 N ATOM 0 H ARG A 53 7.851 6.049 5.584 1.00 0.00 H new ATOM 0 HA ARG A 53 10.112 5.498 7.248 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.036 7.058 7.528 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.138 5.629 7.997 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.684 5.724 9.443 1.00 0.00 H new ATOM 0 HG3 ARG A 53 8.817 7.231 9.664 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.254 4.634 9.913 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.281 5.118 11.248 1.00 0.00 H new ATOM 0 HE ARG A 53 5.946 6.710 10.161 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.822 6.626 12.141 1.00 0.00 H new ATOM 0 HH12 ARG A 53 8.178 7.750 13.343 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.056 8.012 11.793 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.067 8.527 13.148 1.00 0.00 H new ATOM 847 N THR A 54 8.106 2.996 6.877 1.00 0.00 N ATOM 848 CA THR A 54 7.939 1.554 7.214 1.00 0.00 C ATOM 849 C THR A 54 8.828 0.701 6.308 1.00 0.00 C ATOM 850 O THR A 54 9.502 -0.208 6.752 1.00 0.00 O ATOM 851 CB THR A 54 6.461 1.251 6.945 1.00 0.00 C ATOM 852 OG1 THR A 54 5.662 1.865 7.948 1.00 0.00 O ATOM 853 CG2 THR A 54 6.234 -0.260 6.966 1.00 0.00 C ATOM 0 H THR A 54 7.515 3.333 6.117 1.00 0.00 H new ATOM 0 HA THR A 54 8.220 1.334 8.244 1.00 0.00 H new ATOM 0 HB THR A 54 6.183 1.644 5.967 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.285 2.700 7.600 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.182 -0.473 6.774 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.845 -0.731 6.196 1.00 0.00 H new ATOM 0 HG23 THR A 54 6.512 -0.656 7.943 1.00 0.00 H new ATOM 861 N CYS A 55 8.820 0.981 5.036 1.00 0.00 N ATOM 862 CA CYS A 55 9.648 0.186 4.088 1.00 0.00 C ATOM 863 C CYS A 55 10.708 1.072 3.429 1.00 0.00 C ATOM 864 O CYS A 55 11.009 0.930 2.261 1.00 0.00 O ATOM 865 CB CYS A 55 8.652 -0.319 3.049 1.00 0.00 C ATOM 866 SG CYS A 55 7.302 -1.182 3.888 1.00 0.00 S ATOM 0 H CYS A 55 8.273 1.729 4.610 1.00 0.00 H new ATOM 0 HA CYS A 55 10.184 -0.625 4.581 1.00 0.00 H new ATOM 0 HB2 CYS A 55 8.260 0.516 2.468 1.00 0.00 H new ATOM 0 HB3 CYS A 55 9.148 -0.990 2.348 1.00 0.00 H new ATOM 871 N GLY A 56 11.277 1.984 4.167 1.00 0.00 N ATOM 872 CA GLY A 56 12.317 2.877 3.579 1.00 0.00 C ATOM 873 C GLY A 56 13.698 2.261 3.798 1.00 0.00 C ATOM 874 O GLY A 56 14.699 2.949 3.838 1.00 0.00 O ATOM 0 H GLY A 56 11.068 2.150 5.151 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.133 3.015 2.514 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.269 3.863 4.041 1.00 0.00 H new ATOM 878 N GLY A 57 13.761 0.966 3.943 1.00 0.00 N ATOM 879 CA GLY A 57 15.076 0.302 4.162 1.00 0.00 C ATOM 880 C GLY A 57 16.098 0.833 3.153 1.00 0.00 C ATOM 881 O GLY A 57 17.041 1.510 3.510 1.00 0.00 O ATOM 0 H GLY A 57 12.957 0.339 3.919 1.00 0.00 H new ATOM 0 HA2 GLY A 57 15.423 0.489 5.178 1.00 0.00 H new ATOM 0 HA3 GLY A 57 14.971 -0.778 4.054 1.00 0.00 H new ATOM 885 N ALA A 58 15.920 0.526 1.899 1.00 0.00 N ATOM 886 CA ALA A 58 16.885 1.006 0.868 1.00 0.00 C ATOM 887 C ALA A 58 16.486 2.398 0.368 1.00 0.00 C ATOM 888 O ALA A 58 16.196 2.523 -0.810 1.00 0.00 O ATOM 889 CB ALA A 58 16.788 -0.019 -0.260 1.00 0.00 C ATOM 890 OXT ALA A 58 16.481 3.316 1.173 1.00 0.00 O ATOM 0 H ALA A 58 15.148 -0.037 1.542 1.00 0.00 H new ATOM 0 HA ALA A 58 17.899 1.094 1.258 1.00 0.00 H new ATOM 0 HB1 ALA A 58 17.469 0.259 -1.064 1.00 0.00 H new ATOM 0 HB2 ALA A 58 17.058 -1.004 0.120 1.00 0.00 H new ATOM 0 HB3 ALA A 58 15.767 -0.044 -0.642 1.00 0.00 H new TER 896 ALA A 58