USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 410 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 29 GLN : amide:sc= -1.78 K(o=-1.8,f=-1.1) USER MOD Set 1.2: A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ASP N :NH3+ -117:sc= 0.0202 (180deg=-0.0125) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -140:sc= -0.389 USER MOD Single : A 13 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0204) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -3.07! C(o=-3.1!,f=-2.9!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= -1.12 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -7.13! K(o=-7.1!,f=-0.2) USER MOD Single : A 42 ASN : amide:sc= -3.26! C(o=-3.3!,f=-5.8!) USER MOD Single : A 44 LYS NZ :NH3+ -138:sc= -0.678 (180deg=-3.22!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl 173:sc= 0 (180deg=-0.0503) USER MOD Single : A 52 THR OG1 : rot 83:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -7.693 15.946 4.677 1.00 0.00 N ATOM 2 CA ASP A 1 -7.770 14.594 4.058 1.00 0.00 C ATOM 3 C ASP A 1 -6.378 14.046 3.762 1.00 0.00 C ATOM 4 O ASP A 1 -5.453 14.810 3.466 1.00 0.00 O ATOM 5 CB ASP A 1 -8.588 14.684 2.764 1.00 0.00 C ATOM 6 CG ASP A 1 -10.049 15.023 3.009 1.00 0.00 C ATOM 7 OD1 ASP A 1 -10.735 14.235 3.695 1.00 0.00 O ATOM 8 OD2 ASP A 1 -10.504 16.076 2.516 1.00 0.00 O ATOM 0 H1 ASP A 1 -8.094 15.912 5.636 1.00 0.00 H new ATOM 0 H2 ASP A 1 -6.699 16.248 4.728 1.00 0.00 H new ATOM 0 H3 ASP A 1 -8.232 16.623 4.100 1.00 0.00 H new ATOM 0 HA ASP A 1 -8.254 13.912 4.757 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -8.149 15.441 2.115 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -8.525 13.734 2.234 1.00 0.00 H new ATOM 15 N PHE A 2 -6.243 12.720 3.844 1.00 0.00 N ATOM 16 CA PHE A 2 -4.966 12.044 3.587 1.00 0.00 C ATOM 17 C PHE A 2 -5.100 10.944 2.525 1.00 0.00 C ATOM 18 O PHE A 2 -4.122 10.612 1.852 1.00 0.00 O ATOM 19 CB PHE A 2 -4.366 11.467 4.892 1.00 0.00 C ATOM 20 CG PHE A 2 -5.330 10.709 5.792 1.00 0.00 C ATOM 21 CD1 PHE A 2 -5.995 9.571 5.351 1.00 0.00 C ATOM 22 CD2 PHE A 2 -5.554 11.143 7.088 1.00 0.00 C ATOM 23 CE1 PHE A 2 -6.863 8.891 6.181 1.00 0.00 C ATOM 24 CE2 PHE A 2 -6.422 10.465 7.923 1.00 0.00 C ATOM 25 CZ PHE A 2 -7.079 9.336 7.468 1.00 0.00 C ATOM 0 H PHE A 2 -7.006 12.089 4.088 1.00 0.00 H new ATOM 0 HA PHE A 2 -4.283 12.798 3.196 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -3.546 10.799 4.627 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -3.935 12.289 5.465 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -5.830 9.214 4.345 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -5.044 12.023 7.451 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -7.373 8.010 5.822 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -6.587 10.817 8.931 1.00 0.00 H new ATOM 0 HZ PHE A 2 -7.758 8.805 8.118 1.00 0.00 H new ATOM 35 N CYS A 3 -6.312 10.384 2.387 1.00 0.00 N ATOM 36 CA CYS A 3 -6.575 9.315 1.413 1.00 0.00 C ATOM 37 C CYS A 3 -6.937 9.878 0.033 1.00 0.00 C ATOM 38 O CYS A 3 -6.929 9.144 -0.959 1.00 0.00 O ATOM 39 CB CYS A 3 -7.707 8.413 1.912 1.00 0.00 C ATOM 40 SG CYS A 3 -7.920 6.880 0.942 1.00 0.00 S ATOM 0 H CYS A 3 -7.126 10.655 2.939 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.659 8.734 1.311 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -7.515 8.149 2.952 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -8.641 8.975 1.893 1.00 0.00 H new ATOM 45 N LEU A 4 -7.248 11.183 -0.020 1.00 0.00 N ATOM 46 CA LEU A 4 -7.614 11.858 -1.274 1.00 0.00 C ATOM 47 C LEU A 4 -6.382 12.216 -2.120 1.00 0.00 C ATOM 48 O LEU A 4 -6.516 12.637 -3.273 1.00 0.00 O ATOM 49 CB LEU A 4 -8.424 13.138 -0.969 1.00 0.00 C ATOM 50 CG LEU A 4 -9.855 13.231 -1.558 1.00 0.00 C ATOM 51 CD1 LEU A 4 -9.857 13.060 -3.074 1.00 0.00 C ATOM 52 CD2 LEU A 4 -10.793 12.221 -0.906 1.00 0.00 C ATOM 0 H LEU A 4 -7.253 11.794 0.797 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.222 11.162 -1.852 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.498 13.241 0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.853 13.993 -1.332 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.223 14.232 -1.335 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.879 13.132 -3.447 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -9.249 13.842 -3.529 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.445 12.084 -3.331 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -11.788 12.314 -1.342 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.415 11.212 -1.074 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.848 12.414 0.165 1.00 0.00 H new ATOM 64 N GLU A 5 -5.191 12.039 -1.536 1.00 0.00 N ATOM 65 CA GLU A 5 -3.927 12.333 -2.218 1.00 0.00 C ATOM 66 C GLU A 5 -3.338 11.062 -2.856 1.00 0.00 C ATOM 67 O GLU A 5 -3.668 9.953 -2.426 1.00 0.00 O ATOM 68 CB GLU A 5 -2.919 12.941 -1.232 1.00 0.00 C ATOM 69 CG GLU A 5 -3.298 14.333 -0.730 1.00 0.00 C ATOM 70 CD GLU A 5 -2.292 14.932 0.248 1.00 0.00 C ATOM 71 OE1 GLU A 5 -1.273 14.272 0.559 1.00 0.00 O ATOM 72 OE2 GLU A 5 -2.526 16.069 0.707 1.00 0.00 O ATOM 0 H GLU A 5 -5.077 11.690 -0.584 1.00 0.00 H new ATOM 0 HA GLU A 5 -4.129 13.054 -3.010 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -2.817 12.274 -0.376 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -1.943 12.994 -1.714 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -3.401 15.001 -1.585 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -4.274 14.281 -0.246 1.00 0.00 H new ATOM 79 N PRO A 6 -2.451 11.194 -3.896 1.00 0.00 N ATOM 80 CA PRO A 6 -1.828 10.034 -4.572 1.00 0.00 C ATOM 81 C PRO A 6 -0.795 9.315 -3.680 1.00 0.00 C ATOM 82 O PRO A 6 -0.410 9.859 -2.640 1.00 0.00 O ATOM 83 CB PRO A 6 -1.132 10.654 -5.800 1.00 0.00 C ATOM 84 CG PRO A 6 -1.655 12.047 -5.900 1.00 0.00 C ATOM 85 CD PRO A 6 -1.986 12.459 -4.499 1.00 0.00 C ATOM 0 HA PRO A 6 -2.567 9.274 -4.824 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -0.049 10.650 -5.679 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -1.354 10.087 -6.704 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -0.912 12.713 -6.339 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -2.537 12.089 -6.539 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -1.117 12.862 -3.978 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -2.758 13.228 -4.474 1.00 0.00 H new ATOM 93 N PRO A 7 -0.319 8.082 -4.060 1.00 0.00 N ATOM 94 CA PRO A 7 0.673 7.315 -3.270 1.00 0.00 C ATOM 95 C PRO A 7 1.985 8.081 -3.050 1.00 0.00 C ATOM 96 O PRO A 7 2.531 8.666 -3.990 1.00 0.00 O ATOM 97 CB PRO A 7 0.900 6.066 -4.137 1.00 0.00 C ATOM 98 CG PRO A 7 0.518 6.483 -5.502 1.00 0.00 C ATOM 99 CD PRO A 7 -0.692 7.319 -5.273 1.00 0.00 C ATOM 0 HA PRO A 7 0.321 7.099 -2.261 1.00 0.00 H new ATOM 0 HB2 PRO A 7 1.940 5.741 -4.099 1.00 0.00 H new ATOM 0 HB3 PRO A 7 0.291 5.229 -3.794 1.00 0.00 H new ATOM 0 HG2 PRO A 7 1.313 7.049 -5.988 1.00 0.00 H new ATOM 0 HG3 PRO A 7 0.301 5.626 -6.140 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -0.900 7.975 -6.119 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -1.583 6.711 -5.114 1.00 0.00 H new ATOM 107 N TYR A 8 2.464 8.087 -1.800 1.00 0.00 N ATOM 108 CA TYR A 8 3.695 8.799 -1.451 1.00 0.00 C ATOM 109 C TYR A 8 4.938 7.889 -1.533 1.00 0.00 C ATOM 110 O TYR A 8 6.055 8.345 -1.266 1.00 0.00 O ATOM 111 CB TYR A 8 3.555 9.452 -0.057 1.00 0.00 C ATOM 112 CG TYR A 8 4.611 10.508 0.282 1.00 0.00 C ATOM 113 CD1 TYR A 8 5.432 11.069 -0.700 1.00 0.00 C ATOM 114 CD2 TYR A 8 4.790 10.932 1.594 1.00 0.00 C ATOM 115 CE1 TYR A 8 6.389 12.007 -0.389 1.00 0.00 C ATOM 116 CE2 TYR A 8 5.749 11.877 1.915 1.00 0.00 C ATOM 117 CZ TYR A 8 6.546 12.411 0.921 1.00 0.00 C ATOM 118 OH TYR A 8 7.500 13.350 1.237 1.00 0.00 O ATOM 0 H TYR A 8 2.018 7.608 -1.017 1.00 0.00 H new ATOM 0 HA TYR A 8 3.847 9.588 -2.188 1.00 0.00 H new ATOM 0 HB2 TYR A 8 2.570 9.913 0.013 1.00 0.00 H new ATOM 0 HB3 TYR A 8 3.594 8.668 0.699 1.00 0.00 H new ATOM 0 HD1 TYR A 8 5.312 10.759 -1.728 1.00 0.00 H new ATOM 0 HD2 TYR A 8 4.171 10.517 2.375 1.00 0.00 H new ATOM 0 HE1 TYR A 8 7.013 12.424 -1.165 1.00 0.00 H new ATOM 0 HE2 TYR A 8 5.874 12.196 2.939 1.00 0.00 H new ATOM 0 HH TYR A 8 7.480 13.525 2.201 1.00 0.00 H new ATOM 128 N THR A 9 4.733 6.602 -1.891 1.00 0.00 N ATOM 129 CA THR A 9 5.821 5.589 -2.013 1.00 0.00 C ATOM 130 C THR A 9 7.108 6.150 -2.675 1.00 0.00 C ATOM 131 O THR A 9 8.200 5.621 -2.449 1.00 0.00 O ATOM 132 CB THR A 9 5.306 4.372 -2.813 1.00 0.00 C ATOM 133 OG1 THR A 9 4.031 3.976 -2.347 1.00 0.00 O ATOM 134 CG2 THR A 9 6.201 3.141 -2.736 1.00 0.00 C ATOM 0 H THR A 9 3.808 6.229 -2.105 1.00 0.00 H new ATOM 0 HA THR A 9 6.095 5.292 -1.001 1.00 0.00 H new ATOM 0 HB THR A 9 5.284 4.717 -3.847 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.979 2.998 -2.328 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.763 2.336 -3.326 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.188 3.384 -3.129 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.292 2.822 -1.698 1.00 0.00 H new ATOM 142 N GLY A 10 6.961 7.238 -3.461 1.00 0.00 N ATOM 143 CA GLY A 10 8.096 7.890 -4.120 1.00 0.00 C ATOM 144 C GLY A 10 8.919 6.943 -4.998 1.00 0.00 C ATOM 145 O GLY A 10 8.371 5.964 -5.513 1.00 0.00 O ATOM 0 H GLY A 10 6.061 7.679 -3.650 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.727 8.712 -4.733 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.746 8.325 -3.361 1.00 0.00 H new ATOM 149 N PRO A 11 10.252 7.193 -5.175 1.00 0.00 N ATOM 150 CA PRO A 11 11.134 6.330 -5.981 1.00 0.00 C ATOM 151 C PRO A 11 11.628 5.096 -5.198 1.00 0.00 C ATOM 152 O PRO A 11 12.558 4.403 -5.627 1.00 0.00 O ATOM 153 CB PRO A 11 12.318 7.255 -6.337 1.00 0.00 C ATOM 154 CG PRO A 11 12.046 8.572 -5.671 1.00 0.00 C ATOM 155 CD PRO A 11 11.019 8.316 -4.607 1.00 0.00 C ATOM 0 HA PRO A 11 10.618 5.924 -6.851 1.00 0.00 H new ATOM 0 HB2 PRO A 11 13.260 6.831 -5.988 1.00 0.00 H new ATOM 0 HB3 PRO A 11 12.404 7.377 -7.417 1.00 0.00 H new ATOM 0 HG2 PRO A 11 12.958 8.981 -5.237 1.00 0.00 H new ATOM 0 HG3 PRO A 11 11.681 9.302 -6.393 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.478 8.054 -3.654 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.391 9.189 -4.429 1.00 0.00 H new ATOM 163 N CYS A 12 10.989 4.842 -4.043 1.00 0.00 N ATOM 164 CA CYS A 12 11.332 3.716 -3.166 1.00 0.00 C ATOM 165 C CYS A 12 10.621 2.436 -3.617 1.00 0.00 C ATOM 166 O CYS A 12 9.570 2.501 -4.263 1.00 0.00 O ATOM 167 CB CYS A 12 10.948 4.057 -1.721 1.00 0.00 C ATOM 168 SG CYS A 12 11.368 5.761 -1.229 1.00 0.00 S ATOM 0 H CYS A 12 10.220 5.414 -3.694 1.00 0.00 H new ATOM 0 HA CYS A 12 12.406 3.541 -3.223 1.00 0.00 H new ATOM 0 HB2 CYS A 12 9.876 3.907 -1.595 1.00 0.00 H new ATOM 0 HB3 CYS A 12 11.449 3.361 -1.048 1.00 0.00 H new ATOM 173 N LYS A 13 11.208 1.279 -3.281 1.00 0.00 N ATOM 174 CA LYS A 13 10.644 -0.020 -3.660 1.00 0.00 C ATOM 175 C LYS A 13 10.628 -0.987 -2.468 1.00 0.00 C ATOM 176 O LYS A 13 11.423 -1.934 -2.396 1.00 0.00 O ATOM 177 CB LYS A 13 11.430 -0.622 -4.840 1.00 0.00 C ATOM 178 CG LYS A 13 11.295 0.161 -6.138 1.00 0.00 C ATOM 179 CD LYS A 13 12.196 -0.410 -7.224 1.00 0.00 C ATOM 180 CE LYS A 13 12.066 0.357 -8.535 1.00 0.00 C ATOM 181 NZ LYS A 13 12.602 1.746 -8.437 1.00 0.00 N ATOM 0 H LYS A 13 12.075 1.218 -2.747 1.00 0.00 H new ATOM 0 HA LYS A 13 9.612 0.137 -3.974 1.00 0.00 H new ATOM 0 HB2 LYS A 13 12.484 -0.678 -4.570 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.089 -1.644 -5.007 1.00 0.00 H new ATOM 0 HG2 LYS A 13 10.258 0.138 -6.473 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.550 1.206 -5.963 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.232 -0.380 -6.888 1.00 0.00 H new ATOM 0 HD3 LYS A 13 11.944 -1.457 -7.390 1.00 0.00 H new ATOM 0 HE2 LYS A 13 12.597 -0.180 -9.321 1.00 0.00 H new ATOM 0 HE3 LYS A 13 11.017 0.395 -8.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 12.585 2.192 -9.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 12.015 2.299 -7.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 13.580 1.717 -8.086 1.00 0.00 H new ATOM 195 N ALA A 14 9.707 -0.732 -1.533 1.00 0.00 N ATOM 196 CA ALA A 14 9.551 -1.560 -0.332 1.00 0.00 C ATOM 197 C ALA A 14 8.614 -2.753 -0.590 1.00 0.00 C ATOM 198 O ALA A 14 7.999 -2.842 -1.658 1.00 0.00 O ATOM 199 CB ALA A 14 9.037 -0.707 0.822 1.00 0.00 C ATOM 0 H ALA A 14 9.053 0.049 -1.586 1.00 0.00 H new ATOM 0 HA ALA A 14 10.527 -1.965 -0.066 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.923 -1.328 1.711 1.00 0.00 H new ATOM 0 HB2 ALA A 14 9.747 0.094 1.027 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.072 -0.276 0.554 1.00 0.00 H new ATOM 205 N ARG A 15 8.525 -3.665 0.388 1.00 0.00 N ATOM 206 CA ARG A 15 7.681 -4.858 0.273 1.00 0.00 C ATOM 207 C ARG A 15 6.472 -4.791 1.231 1.00 0.00 C ATOM 208 O ARG A 15 6.143 -5.772 1.914 1.00 0.00 O ATOM 209 CB ARG A 15 8.521 -6.143 0.506 1.00 0.00 C ATOM 210 CG ARG A 15 9.165 -6.284 1.894 1.00 0.00 C ATOM 211 CD ARG A 15 10.569 -5.691 1.952 1.00 0.00 C ATOM 212 NE ARG A 15 10.561 -4.229 2.067 1.00 0.00 N ATOM 213 CZ ARG A 15 11.661 -3.463 2.135 1.00 0.00 C ATOM 214 NH1 ARG A 15 12.878 -4.000 2.102 1.00 0.00 N ATOM 215 NH2 ARG A 15 11.535 -2.147 2.239 1.00 0.00 N ATOM 0 H ARG A 15 9.031 -3.597 1.271 1.00 0.00 H new ATOM 0 HA ARG A 15 7.282 -4.893 -0.741 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.880 -7.008 0.335 1.00 0.00 H new ATOM 0 HB3 ARG A 15 9.311 -6.178 -0.244 1.00 0.00 H new ATOM 0 HG2 ARG A 15 8.535 -5.791 2.634 1.00 0.00 H new ATOM 0 HG3 ARG A 15 9.209 -7.339 2.165 1.00 0.00 H new ATOM 0 HD2 ARG A 15 11.103 -6.115 2.802 1.00 0.00 H new ATOM 0 HD3 ARG A 15 11.118 -5.978 1.055 1.00 0.00 H new ATOM 0 HE ARG A 15 9.655 -3.761 2.097 1.00 0.00 H new ATOM 0 HH11 ARG A 15 12.987 -5.011 2.024 1.00 0.00 H new ATOM 0 HH12 ARG A 15 13.702 -3.401 2.155 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.607 -1.724 2.267 1.00 0.00 H new ATOM 0 HH22 ARG A 15 12.366 -1.558 2.291 1.00 0.00 H new ATOM 229 N ILE A 16 5.815 -3.627 1.269 1.00 0.00 N ATOM 230 CA ILE A 16 4.648 -3.418 2.133 1.00 0.00 C ATOM 231 C ILE A 16 3.511 -2.778 1.317 1.00 0.00 C ATOM 232 O ILE A 16 3.433 -1.554 1.196 1.00 0.00 O ATOM 233 CB ILE A 16 5.011 -2.539 3.381 1.00 0.00 C ATOM 234 CG1 ILE A 16 6.190 -3.162 4.161 1.00 0.00 C ATOM 235 CG2 ILE A 16 3.798 -2.372 4.307 1.00 0.00 C ATOM 236 CD1 ILE A 16 6.986 -2.172 4.998 1.00 0.00 C ATOM 0 H ILE A 16 6.072 -2.813 0.710 1.00 0.00 H new ATOM 0 HA ILE A 16 4.314 -4.385 2.509 1.00 0.00 H new ATOM 0 HB ILE A 16 5.309 -1.554 3.021 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.804 -3.944 4.815 1.00 0.00 H new ATOM 0 HG13 ILE A 16 6.864 -3.644 3.452 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.076 -1.759 5.164 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.988 -1.887 3.762 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.467 -3.351 4.653 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.793 -2.695 5.511 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.406 -1.403 4.350 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.330 -1.707 5.734 1.00 0.00 H new ATOM 248 N ILE A 17 2.642 -3.632 0.753 1.00 0.00 N ATOM 249 CA ILE A 17 1.499 -3.189 -0.072 1.00 0.00 C ATOM 250 C ILE A 17 0.388 -2.647 0.819 1.00 0.00 C ATOM 251 O ILE A 17 0.173 -3.115 1.940 1.00 0.00 O ATOM 252 CB ILE A 17 0.932 -4.339 -0.979 1.00 0.00 C ATOM 253 CG1 ILE A 17 2.050 -5.127 -1.688 1.00 0.00 C ATOM 254 CG2 ILE A 17 -0.032 -3.790 -2.030 1.00 0.00 C ATOM 255 CD1 ILE A 17 2.629 -6.265 -0.867 1.00 0.00 C ATOM 0 H ILE A 17 2.708 -4.645 0.853 1.00 0.00 H new ATOM 0 HA ILE A 17 1.867 -2.402 -0.730 1.00 0.00 H new ATOM 0 HB ILE A 17 0.399 -5.017 -0.312 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.658 -5.531 -2.622 1.00 0.00 H new ATOM 0 HG13 ILE A 17 2.853 -4.439 -1.951 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.408 -4.610 -2.642 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.867 -3.295 -1.534 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.490 -3.073 -2.664 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.409 -6.767 -1.440 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.054 -5.869 0.055 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.840 -6.978 -0.626 1.00 0.00 H new ATOM 267 N ARG A 18 -0.269 -1.621 0.293 1.00 0.00 N ATOM 268 CA ARG A 18 -1.335 -0.909 0.977 1.00 0.00 C ATOM 269 C ARG A 18 -2.335 -0.337 -0.039 1.00 0.00 C ATOM 270 O ARG A 18 -2.195 -0.573 -1.238 1.00 0.00 O ATOM 271 CB ARG A 18 -0.682 0.184 1.817 1.00 0.00 C ATOM 272 CG ARG A 18 -0.373 -0.268 3.236 1.00 0.00 C ATOM 273 CD ARG A 18 0.282 0.832 4.053 1.00 0.00 C ATOM 274 NE ARG A 18 0.549 0.406 5.431 1.00 0.00 N ATOM 275 CZ ARG A 18 1.024 1.202 6.400 1.00 0.00 C ATOM 276 NH1 ARG A 18 1.273 2.491 6.173 1.00 0.00 N ATOM 277 NH2 ARG A 18 1.245 0.702 7.608 1.00 0.00 N ATOM 0 H ARG A 18 -0.070 -1.256 -0.638 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.904 -1.576 1.625 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.241 0.505 1.334 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.341 1.051 1.852 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.295 -0.583 3.725 1.00 0.00 H new ATOM 0 HG3 ARG A 18 0.284 -1.137 3.205 1.00 0.00 H new ATOM 0 HD2 ARG A 18 1.217 1.129 3.578 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -0.364 1.710 4.063 1.00 0.00 H new ATOM 0 HE ARG A 18 0.359 -0.567 5.670 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.102 2.888 5.249 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.634 3.080 6.923 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.054 -0.282 7.795 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.606 1.302 8.350 1.00 0.00 H new ATOM 291 N TYR A 19 -3.362 0.382 0.440 1.00 0.00 N ATOM 292 CA TYR A 19 -4.391 0.944 -0.447 1.00 0.00 C ATOM 293 C TYR A 19 -4.518 2.460 -0.293 1.00 0.00 C ATOM 294 O TYR A 19 -4.239 3.010 0.781 1.00 0.00 O ATOM 295 CB TYR A 19 -5.760 0.303 -0.160 1.00 0.00 C ATOM 296 CG TYR A 19 -5.894 -1.183 -0.464 1.00 0.00 C ATOM 297 CD1 TYR A 19 -5.003 -2.122 0.049 1.00 0.00 C ATOM 298 CD2 TYR A 19 -6.947 -1.645 -1.242 1.00 0.00 C ATOM 299 CE1 TYR A 19 -5.152 -3.470 -0.211 1.00 0.00 C ATOM 300 CE2 TYR A 19 -7.109 -2.994 -1.502 1.00 0.00 C ATOM 301 CZ TYR A 19 -6.209 -3.901 -0.984 1.00 0.00 C ATOM 302 OH TYR A 19 -6.367 -5.243 -1.240 1.00 0.00 O ATOM 0 H TYR A 19 -3.501 0.587 1.430 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.078 0.723 -1.468 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.995 0.458 0.893 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -6.514 0.838 -0.737 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.179 -1.789 0.663 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -7.653 -0.938 -1.652 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.445 -4.182 0.189 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -7.936 -3.335 -2.107 1.00 0.00 H new ATOM 0 HH TYR A 19 -7.161 -5.378 -1.798 1.00 0.00 H new ATOM 312 N PHE A 20 -4.969 3.115 -1.382 1.00 0.00 N ATOM 313 CA PHE A 20 -5.184 4.570 -1.415 1.00 0.00 C ATOM 314 C PHE A 20 -6.415 4.893 -2.298 1.00 0.00 C ATOM 315 O PHE A 20 -6.929 4.004 -2.987 1.00 0.00 O ATOM 316 CB PHE A 20 -3.907 5.297 -1.909 1.00 0.00 C ATOM 317 CG PHE A 20 -3.752 5.380 -3.406 1.00 0.00 C ATOM 318 CD1 PHE A 20 -3.264 4.309 -4.140 1.00 0.00 C ATOM 319 CD2 PHE A 20 -4.101 6.541 -4.069 1.00 0.00 C ATOM 320 CE1 PHE A 20 -3.137 4.399 -5.512 1.00 0.00 C ATOM 321 CE2 PHE A 20 -3.972 6.637 -5.436 1.00 0.00 C ATOM 322 CZ PHE A 20 -3.491 5.567 -6.161 1.00 0.00 C ATOM 0 H PHE A 20 -5.193 2.648 -2.261 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.388 4.932 -0.407 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.905 6.309 -1.503 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.036 4.787 -1.498 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -2.981 3.398 -3.634 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.479 7.383 -3.508 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -2.762 3.558 -6.077 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.248 7.551 -5.941 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.391 5.641 -7.234 1.00 0.00 H new ATOM 332 N TYR A 21 -6.898 6.148 -2.255 1.00 0.00 N ATOM 333 CA TYR A 21 -8.082 6.556 -3.028 1.00 0.00 C ATOM 334 C TYR A 21 -7.742 7.443 -4.231 1.00 0.00 C ATOM 335 O TYR A 21 -7.099 8.489 -4.084 1.00 0.00 O ATOM 336 CB TYR A 21 -9.067 7.318 -2.097 1.00 0.00 C ATOM 337 CG TYR A 21 -10.326 7.926 -2.743 1.00 0.00 C ATOM 338 CD1 TYR A 21 -10.924 7.393 -3.890 1.00 0.00 C ATOM 339 CD2 TYR A 21 -10.924 9.041 -2.168 1.00 0.00 C ATOM 340 CE1 TYR A 21 -12.068 7.958 -4.428 1.00 0.00 C ATOM 341 CE2 TYR A 21 -12.066 9.603 -2.700 1.00 0.00 C ATOM 342 CZ TYR A 21 -12.634 9.059 -3.828 1.00 0.00 C ATOM 343 OH TYR A 21 -13.770 9.621 -4.362 1.00 0.00 O ATOM 0 H TYR A 21 -6.487 6.894 -1.694 1.00 0.00 H new ATOM 0 HA TYR A 21 -8.534 5.644 -3.419 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -9.388 6.632 -1.313 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.516 8.123 -1.610 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -10.486 6.527 -4.364 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -10.484 9.478 -1.284 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -12.515 7.536 -5.316 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -12.513 10.468 -2.232 1.00 0.00 H new ATOM 0 HH TYR A 21 -14.041 10.390 -3.818 1.00 0.00 H new ATOM 353 N ASN A 22 -8.263 7.051 -5.405 1.00 0.00 N ATOM 354 CA ASN A 22 -8.122 7.824 -6.620 1.00 0.00 C ATOM 355 C ASN A 22 -9.466 8.477 -6.912 1.00 0.00 C ATOM 356 O ASN A 22 -10.435 7.789 -7.275 1.00 0.00 O ATOM 357 CB ASN A 22 -7.741 6.944 -7.807 1.00 0.00 C ATOM 358 CG ASN A 22 -6.331 6.408 -7.749 1.00 0.00 C ATOM 359 OD1 ASN A 22 -5.367 7.162 -7.877 1.00 0.00 O ATOM 360 ND2 ASN A 22 -6.204 5.100 -7.567 1.00 0.00 N ATOM 0 H ASN A 22 -8.792 6.187 -5.524 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.332 8.562 -6.479 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -8.435 6.105 -7.861 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.862 7.518 -8.725 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.276 4.678 -7.528 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.034 4.516 -7.466 1.00 0.00 H new ATOM 367 N ALA A 23 -9.540 9.800 -6.758 1.00 0.00 N ATOM 368 CA ALA A 23 -10.784 10.526 -7.017 1.00 0.00 C ATOM 369 C ALA A 23 -10.966 10.779 -8.526 1.00 0.00 C ATOM 370 O ALA A 23 -11.725 11.665 -8.942 1.00 0.00 O ATOM 371 CB ALA A 23 -10.799 11.830 -6.222 1.00 0.00 C ATOM 0 H ALA A 23 -8.761 10.386 -6.458 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.626 9.917 -6.688 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.728 12.366 -6.419 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -10.727 11.608 -5.157 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -9.953 12.448 -6.521 1.00 0.00 H new ATOM 377 N LYS A 24 -10.271 9.960 -9.336 1.00 0.00 N ATOM 378 CA LYS A 24 -10.345 10.045 -10.796 1.00 0.00 C ATOM 379 C LYS A 24 -11.364 9.027 -11.317 1.00 0.00 C ATOM 380 O LYS A 24 -11.919 9.186 -12.408 1.00 0.00 O ATOM 381 CB LYS A 24 -8.954 9.791 -11.413 1.00 0.00 C ATOM 382 CG LYS A 24 -8.805 10.205 -12.888 1.00 0.00 C ATOM 383 CD LYS A 24 -8.729 11.725 -13.084 1.00 0.00 C ATOM 384 CE LYS A 24 -7.341 12.284 -12.776 1.00 0.00 C ATOM 385 NZ LYS A 24 -7.281 13.759 -12.971 1.00 0.00 N ATOM 0 H LYS A 24 -9.648 9.228 -8.995 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.668 11.045 -11.086 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.210 10.328 -10.825 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.724 8.729 -11.325 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.905 9.747 -13.298 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.649 9.814 -13.456 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.996 11.970 -14.112 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.463 12.209 -12.440 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.072 12.042 -11.748 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.605 11.802 -13.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.323 14.099 -12.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.513 13.988 -13.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.966 14.221 -12.339 1.00 0.00 H new ATOM 399 N ALA A 25 -11.591 7.987 -10.510 1.00 0.00 N ATOM 400 CA ALA A 25 -12.527 6.920 -10.835 1.00 0.00 C ATOM 401 C ALA A 25 -13.527 6.697 -9.700 1.00 0.00 C ATOM 402 O ALA A 25 -14.670 6.299 -9.948 1.00 0.00 O ATOM 403 CB ALA A 25 -11.762 5.639 -11.123 1.00 0.00 C ATOM 0 H ALA A 25 -11.126 7.866 -9.610 1.00 0.00 H new ATOM 0 HA ALA A 25 -13.089 7.213 -11.722 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -12.465 4.842 -11.366 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.089 5.799 -11.966 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.182 5.356 -10.244 1.00 0.00 H new ATOM 409 N GLY A 26 -13.084 6.945 -8.456 1.00 0.00 N ATOM 410 CA GLY A 26 -13.942 6.759 -7.291 1.00 0.00 C ATOM 411 C GLY A 26 -13.746 5.399 -6.642 1.00 0.00 C ATOM 412 O GLY A 26 -14.689 4.829 -6.084 1.00 0.00 O ATOM 0 H GLY A 26 -12.142 7.272 -8.240 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -13.734 7.541 -6.561 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -14.985 6.870 -7.589 1.00 0.00 H new ATOM 416 N LEU A 27 -12.515 4.880 -6.734 1.00 0.00 N ATOM 417 CA LEU A 27 -12.169 3.571 -6.172 1.00 0.00 C ATOM 418 C LEU A 27 -10.831 3.605 -5.426 1.00 0.00 C ATOM 419 O LEU A 27 -10.026 4.532 -5.600 1.00 0.00 O ATOM 420 CB LEU A 27 -12.163 2.487 -7.284 1.00 0.00 C ATOM 421 CG LEU A 27 -11.354 2.796 -8.563 1.00 0.00 C ATOM 422 CD1 LEU A 27 -9.876 2.470 -8.385 1.00 0.00 C ATOM 423 CD2 LEU A 27 -11.928 2.030 -9.746 1.00 0.00 C ATOM 0 H LEU A 27 -11.738 5.352 -7.196 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.934 3.312 -5.441 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.776 1.563 -6.854 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.196 2.295 -7.575 1.00 0.00 H new ATOM 0 HG LEU A 27 -11.434 3.865 -8.758 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.339 2.700 -9.305 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.468 3.065 -7.568 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.762 1.411 -8.154 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -11.349 2.256 -10.641 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.881 0.960 -9.544 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -12.966 2.324 -9.901 1.00 0.00 H new ATOM 435 N CYS A 28 -10.608 2.570 -4.604 1.00 0.00 N ATOM 436 CA CYS A 28 -9.382 2.430 -3.824 1.00 0.00 C ATOM 437 C CYS A 28 -8.422 1.474 -4.541 1.00 0.00 C ATOM 438 O CYS A 28 -8.760 0.312 -4.787 1.00 0.00 O ATOM 439 CB CYS A 28 -9.718 1.926 -2.415 1.00 0.00 C ATOM 440 SG CYS A 28 -8.296 1.866 -1.287 1.00 0.00 S ATOM 0 H CYS A 28 -11.274 1.810 -4.465 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.892 3.399 -3.730 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -10.483 2.571 -1.983 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -10.149 0.928 -2.492 1.00 0.00 H new ATOM 445 N GLN A 29 -7.242 1.992 -4.905 1.00 0.00 N ATOM 446 CA GLN A 29 -6.233 1.213 -5.637 1.00 0.00 C ATOM 447 C GLN A 29 -5.189 0.613 -4.690 1.00 0.00 C ATOM 448 O GLN A 29 -4.928 1.158 -3.612 1.00 0.00 O ATOM 449 CB GLN A 29 -5.559 2.117 -6.684 1.00 0.00 C ATOM 450 CG GLN A 29 -5.038 1.393 -7.927 1.00 0.00 C ATOM 451 CD GLN A 29 -3.698 0.710 -7.716 1.00 0.00 C ATOM 452 OE1 GLN A 29 -2.698 1.358 -7.405 1.00 0.00 O ATOM 453 NE2 GLN A 29 -3.674 -0.606 -7.887 1.00 0.00 N ATOM 0 H GLN A 29 -6.961 2.952 -4.704 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.729 0.381 -6.136 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.273 2.878 -6.998 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.727 2.638 -6.210 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.771 0.648 -8.237 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.947 2.110 -8.743 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.527 -1.102 -8.145 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.803 -1.121 -7.761 1.00 0.00 H new ATOM 462 N THR A 30 -4.598 -0.514 -5.121 1.00 0.00 N ATOM 463 CA THR A 30 -3.570 -1.220 -4.346 1.00 0.00 C ATOM 464 C THR A 30 -2.170 -0.714 -4.702 1.00 0.00 C ATOM 465 O THR A 30 -1.770 -0.735 -5.871 1.00 0.00 O ATOM 466 CB THR A 30 -3.642 -2.734 -4.592 1.00 0.00 C ATOM 467 OG1 THR A 30 -3.549 -3.028 -5.976 1.00 0.00 O ATOM 468 CG2 THR A 30 -4.907 -3.383 -4.071 1.00 0.00 C ATOM 0 H THR A 30 -4.820 -0.958 -6.012 1.00 0.00 H new ATOM 0 HA THR A 30 -3.762 -1.020 -3.292 1.00 0.00 H new ATOM 0 HB THR A 30 -2.796 -3.144 -4.040 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.596 -3.998 -6.108 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.882 -4.452 -4.283 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.978 -3.229 -2.994 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.773 -2.936 -4.560 1.00 0.00 H new ATOM 476 N PHE A 31 -1.445 -0.247 -3.681 1.00 0.00 N ATOM 477 CA PHE A 31 -0.091 0.286 -3.857 1.00 0.00 C ATOM 478 C PHE A 31 0.804 -0.096 -2.663 1.00 0.00 C ATOM 479 O PHE A 31 0.361 -0.058 -1.517 1.00 0.00 O ATOM 480 CB PHE A 31 -0.162 1.818 -4.021 1.00 0.00 C ATOM 481 CG PHE A 31 -0.061 2.574 -2.729 1.00 0.00 C ATOM 482 CD1 PHE A 31 -1.181 2.854 -1.960 1.00 0.00 C ATOM 483 CD2 PHE A 31 1.176 2.988 -2.285 1.00 0.00 C ATOM 484 CE1 PHE A 31 -1.055 3.540 -0.767 1.00 0.00 C ATOM 485 CE2 PHE A 31 1.311 3.666 -1.103 1.00 0.00 C ATOM 486 CZ PHE A 31 0.194 3.947 -0.336 1.00 0.00 C ATOM 0 H PHE A 31 -1.777 -0.228 -2.717 1.00 0.00 H new ATOM 0 HA PHE A 31 0.351 -0.148 -4.754 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.642 2.140 -4.683 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.101 2.078 -4.510 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.157 2.534 -2.295 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.053 2.774 -2.878 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.930 3.758 -0.173 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.289 3.981 -0.770 1.00 0.00 H new ATOM 0 HZ PHE A 31 0.298 4.482 0.596 1.00 0.00 H new ATOM 496 N VAL A 32 2.045 -0.485 -2.953 1.00 0.00 N ATOM 497 CA VAL A 32 3.033 -0.922 -1.960 1.00 0.00 C ATOM 498 C VAL A 32 3.723 0.253 -1.239 1.00 0.00 C ATOM 499 O VAL A 32 4.789 0.707 -1.670 1.00 0.00 O ATOM 500 CB VAL A 32 4.136 -1.795 -2.654 1.00 0.00 C ATOM 501 CG1 VAL A 32 4.960 -2.588 -1.644 1.00 0.00 C ATOM 502 CG2 VAL A 32 3.543 -2.739 -3.697 1.00 0.00 C ATOM 0 H VAL A 32 2.403 -0.506 -3.908 1.00 0.00 H new ATOM 0 HA VAL A 32 2.486 -1.499 -1.214 1.00 0.00 H new ATOM 0 HB VAL A 32 4.800 -1.095 -3.161 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.711 -3.178 -2.170 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.454 -1.900 -0.957 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.305 -3.253 -1.082 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.341 -3.325 -4.153 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.830 -3.409 -3.217 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.034 -2.158 -4.466 1.00 0.00 H new ATOM 512 N TYR A 33 3.125 0.723 -0.130 1.00 0.00 N ATOM 513 CA TYR A 33 3.687 1.821 0.682 1.00 0.00 C ATOM 514 C TYR A 33 5.152 1.532 1.063 1.00 0.00 C ATOM 515 O TYR A 33 5.457 0.474 1.622 1.00 0.00 O ATOM 516 CB TYR A 33 2.810 2.009 1.942 1.00 0.00 C ATOM 517 CG TYR A 33 3.433 2.802 3.087 1.00 0.00 C ATOM 518 CD1 TYR A 33 3.722 4.160 2.972 1.00 0.00 C ATOM 519 CD2 TYR A 33 3.733 2.169 4.287 1.00 0.00 C ATOM 520 CE1 TYR A 33 4.291 4.859 4.024 1.00 0.00 C ATOM 521 CE2 TYR A 33 4.300 2.860 5.339 1.00 0.00 C ATOM 522 CZ TYR A 33 4.577 4.202 5.203 1.00 0.00 C ATOM 523 OH TYR A 33 5.141 4.890 6.251 1.00 0.00 O ATOM 0 H TYR A 33 2.243 0.356 0.229 1.00 0.00 H new ATOM 0 HA TYR A 33 3.684 2.742 0.099 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.886 2.505 1.645 1.00 0.00 H new ATOM 0 HB3 TYR A 33 2.536 1.023 2.318 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.499 4.675 2.049 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.519 1.116 4.399 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.509 5.912 3.922 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.525 2.351 6.264 1.00 0.00 H new ATOM 0 HH TYR A 33 5.277 4.281 7.007 1.00 0.00 H new ATOM 533 N GLY A 34 6.040 2.480 0.733 1.00 0.00 N ATOM 534 CA GLY A 34 7.463 2.327 1.015 1.00 0.00 C ATOM 535 C GLY A 34 7.844 2.715 2.431 1.00 0.00 C ATOM 536 O GLY A 34 7.206 3.582 3.036 1.00 0.00 O ATOM 0 H GLY A 34 5.793 3.356 0.272 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.750 1.290 0.841 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.032 2.937 0.314 1.00 0.00 H new ATOM 540 N GLY A 35 8.896 2.068 2.948 1.00 0.00 N ATOM 541 CA GLY A 35 9.378 2.345 4.297 1.00 0.00 C ATOM 542 C GLY A 35 10.455 3.420 4.332 1.00 0.00 C ATOM 543 O GLY A 35 11.250 3.473 5.274 1.00 0.00 O ATOM 0 H GLY A 35 9.425 1.352 2.450 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.540 2.657 4.920 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.774 1.427 4.732 1.00 0.00 H new ATOM 547 N CYS A 36 10.467 4.276 3.302 1.00 0.00 N ATOM 548 CA CYS A 36 11.437 5.368 3.197 1.00 0.00 C ATOM 549 C CYS A 36 10.844 6.667 3.756 1.00 0.00 C ATOM 550 O CYS A 36 11.486 7.357 4.553 1.00 0.00 O ATOM 551 CB CYS A 36 11.870 5.547 1.737 1.00 0.00 C ATOM 552 SG CYS A 36 10.513 5.959 0.598 1.00 0.00 S ATOM 0 H CYS A 36 9.809 4.230 2.524 1.00 0.00 H new ATOM 0 HA CYS A 36 12.317 5.118 3.789 1.00 0.00 H new ATOM 0 HB2 CYS A 36 12.622 6.335 1.687 1.00 0.00 H new ATOM 0 HB3 CYS A 36 12.348 4.628 1.397 1.00 0.00 H new ATOM 557 N ARG A 37 9.605 6.970 3.347 1.00 0.00 N ATOM 558 CA ARG A 37 8.884 8.159 3.808 1.00 0.00 C ATOM 559 C ARG A 37 7.524 7.751 4.362 1.00 0.00 C ATOM 560 O ARG A 37 6.760 7.052 3.689 1.00 0.00 O ATOM 561 CB ARG A 37 8.708 9.182 2.671 1.00 0.00 C ATOM 562 CG ARG A 37 9.976 9.951 2.301 1.00 0.00 C ATOM 563 CD ARG A 37 10.910 9.144 1.406 1.00 0.00 C ATOM 564 NE ARG A 37 12.122 9.893 1.058 1.00 0.00 N ATOM 565 CZ ARG A 37 13.113 9.426 0.285 1.00 0.00 C ATOM 566 NH1 ARG A 37 13.060 8.203 -0.239 1.00 0.00 N ATOM 567 NH2 ARG A 37 14.165 10.193 0.035 1.00 0.00 N ATOM 0 H ARG A 37 9.077 6.398 2.688 1.00 0.00 H new ATOM 0 HA ARG A 37 9.471 8.632 4.595 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.344 8.661 1.785 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.937 9.897 2.960 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.701 10.875 1.793 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.505 10.233 3.212 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.188 8.220 1.912 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.384 8.862 0.494 1.00 0.00 H new ATOM 0 HE ARG A 37 12.218 10.837 1.431 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.255 7.604 -0.055 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.824 7.866 -0.825 1.00 0.00 H new ATOM 0 HH21 ARG A 37 14.217 11.132 0.430 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.923 9.844 -0.552 1.00 0.00 H new ATOM 581 N ALA A 38 7.237 8.172 5.598 1.00 0.00 N ATOM 582 CA ALA A 38 5.976 7.833 6.257 1.00 0.00 C ATOM 583 C ALA A 38 4.974 8.979 6.209 1.00 0.00 C ATOM 584 O ALA A 38 5.304 10.123 6.534 1.00 0.00 O ATOM 585 CB ALA A 38 6.230 7.413 7.695 1.00 0.00 C ATOM 0 H ALA A 38 7.863 8.748 6.161 1.00 0.00 H new ATOM 0 HA ALA A 38 5.538 6.998 5.710 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.283 7.163 8.174 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.885 6.542 7.709 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.705 8.232 8.235 1.00 0.00 H new ATOM 591 N LYS A 39 3.743 8.642 5.805 1.00 0.00 N ATOM 592 CA LYS A 39 2.642 9.606 5.703 1.00 0.00 C ATOM 593 C LYS A 39 1.318 8.930 6.063 1.00 0.00 C ATOM 594 O LYS A 39 1.229 7.700 6.141 1.00 0.00 O ATOM 595 CB LYS A 39 2.611 10.223 4.279 1.00 0.00 C ATOM 596 CG LYS A 39 1.510 11.247 3.979 1.00 0.00 C ATOM 597 CD LYS A 39 1.715 12.560 4.728 1.00 0.00 C ATOM 598 CE LYS A 39 0.612 13.558 4.414 1.00 0.00 C ATOM 599 NZ LYS A 39 0.803 14.843 5.140 1.00 0.00 N ATOM 0 H LYS A 39 3.483 7.692 5.540 1.00 0.00 H new ATOM 0 HA LYS A 39 2.798 10.419 6.412 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.574 10.700 4.097 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.519 9.408 3.561 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.483 11.444 2.907 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.542 10.825 4.250 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.739 12.368 5.801 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.681 12.987 4.459 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.589 13.747 3.341 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.353 13.129 4.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.030 15.496 4.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.800 14.666 6.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.712 15.266 4.864 1.00 0.00 H new ATOM 613 N ARG A 40 0.307 9.762 6.306 1.00 0.00 N ATOM 614 CA ARG A 40 -1.039 9.293 6.698 1.00 0.00 C ATOM 615 C ARG A 40 -1.861 8.773 5.505 1.00 0.00 C ATOM 616 O ARG A 40 -3.014 8.359 5.672 1.00 0.00 O ATOM 617 CB ARG A 40 -1.816 10.422 7.408 1.00 0.00 C ATOM 618 CG ARG A 40 -1.237 10.849 8.761 1.00 0.00 C ATOM 619 CD ARG A 40 -1.571 9.857 9.883 1.00 0.00 C ATOM 620 NE ARG A 40 -3.012 9.803 10.207 1.00 0.00 N ATOM 621 CZ ARG A 40 -3.704 10.772 10.835 1.00 0.00 C ATOM 622 NH1 ARG A 40 -3.110 11.898 11.226 1.00 0.00 N ATOM 623 NH2 ARG A 40 -4.998 10.605 11.070 1.00 0.00 N ATOM 0 H ARG A 40 0.387 10.777 6.240 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.890 8.457 7.381 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.847 11.291 6.751 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.846 10.098 7.556 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.155 10.945 8.675 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.624 11.833 9.024 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.234 8.862 9.591 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.014 10.132 10.779 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.523 8.964 9.933 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.115 12.037 11.051 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.650 12.621 11.701 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.463 9.746 10.775 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.528 11.335 11.545 1.00 0.00 H new ATOM 637 N ASN A 41 -1.255 8.781 4.310 1.00 0.00 N ATOM 638 CA ASN A 41 -1.920 8.300 3.097 1.00 0.00 C ATOM 639 C ASN A 41 -1.661 6.796 2.903 1.00 0.00 C ATOM 640 O ASN A 41 -0.906 6.390 2.008 1.00 0.00 O ATOM 641 CB ASN A 41 -1.448 9.123 1.873 1.00 0.00 C ATOM 642 CG ASN A 41 -2.152 8.778 0.549 1.00 0.00 C ATOM 643 OD1 ASN A 41 -2.095 9.556 -0.401 1.00 0.00 O ATOM 644 ND2 ASN A 41 -2.780 7.601 0.465 1.00 0.00 N ATOM 0 H ASN A 41 -0.304 9.116 4.160 1.00 0.00 H new ATOM 0 HA ASN A 41 -2.997 8.437 3.199 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -1.602 10.181 2.084 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -0.375 8.976 1.746 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -3.231 7.325 -0.407 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -2.808 6.979 1.273 1.00 0.00 H new ATOM 651 N ASN A 42 -2.308 5.976 3.743 1.00 0.00 N ATOM 652 CA ASN A 42 -2.176 4.515 3.670 1.00 0.00 C ATOM 653 C ASN A 42 -3.374 3.809 4.292 1.00 0.00 C ATOM 654 O ASN A 42 -3.805 4.156 5.396 1.00 0.00 O ATOM 655 CB ASN A 42 -0.925 4.008 4.386 1.00 0.00 C ATOM 656 CG ASN A 42 0.380 4.449 3.749 1.00 0.00 C ATOM 657 OD1 ASN A 42 0.664 4.123 2.597 1.00 0.00 O ATOM 658 ND2 ASN A 42 1.183 5.195 4.500 1.00 0.00 N ATOM 0 H ASN A 42 -2.930 6.302 4.483 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.110 4.286 2.606 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.947 4.354 5.419 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.953 2.919 4.414 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.074 5.521 4.126 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.908 5.442 5.451 1.00 0.00 H new ATOM 665 N PHE A 43 -3.892 2.805 3.577 1.00 0.00 N ATOM 666 CA PHE A 43 -5.031 2.013 4.045 1.00 0.00 C ATOM 667 C PHE A 43 -4.817 0.521 3.760 1.00 0.00 C ATOM 668 O PHE A 43 -4.979 0.069 2.626 1.00 0.00 O ATOM 669 CB PHE A 43 -6.322 2.494 3.372 1.00 0.00 C ATOM 670 CG PHE A 43 -6.943 3.715 3.998 1.00 0.00 C ATOM 671 CD1 PHE A 43 -6.423 4.981 3.768 1.00 0.00 C ATOM 672 CD2 PHE A 43 -8.054 3.592 4.816 1.00 0.00 C ATOM 673 CE1 PHE A 43 -7.000 6.096 4.343 1.00 0.00 C ATOM 674 CE2 PHE A 43 -8.634 4.704 5.395 1.00 0.00 C ATOM 675 CZ PHE A 43 -8.106 5.958 5.158 1.00 0.00 C ATOM 0 H PHE A 43 -3.536 2.521 2.664 1.00 0.00 H new ATOM 0 HA PHE A 43 -5.117 2.148 5.123 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -6.111 2.707 2.324 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.050 1.683 3.392 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.557 5.095 3.132 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.472 2.614 5.004 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.586 7.076 4.155 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -9.499 4.593 6.032 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.557 6.829 5.609 1.00 0.00 H new ATOM 685 N LYS A 44 -4.432 -0.248 4.792 1.00 0.00 N ATOM 686 CA LYS A 44 -4.178 -1.695 4.650 1.00 0.00 C ATOM 687 C LYS A 44 -5.443 -2.508 4.340 1.00 0.00 C ATOM 688 O LYS A 44 -5.348 -3.616 3.804 1.00 0.00 O ATOM 689 CB LYS A 44 -3.534 -2.240 5.933 1.00 0.00 C ATOM 690 CG LYS A 44 -2.035 -1.986 6.049 1.00 0.00 C ATOM 691 CD LYS A 44 -1.227 -3.023 5.277 1.00 0.00 C ATOM 692 CE LYS A 44 0.266 -2.849 5.498 1.00 0.00 C ATOM 693 NZ LYS A 44 1.053 -3.896 4.792 1.00 0.00 N ATOM 0 H LYS A 44 -4.289 0.108 5.737 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.506 -1.807 3.799 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.033 -1.792 6.793 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.712 -3.314 5.985 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.804 -0.990 5.671 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.743 -2.005 7.099 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.527 -4.024 5.588 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.450 -2.940 4.213 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.573 -1.864 5.147 1.00 0.00 H new ATOM 0 HE3 LYS A 44 0.483 -2.889 6.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 1.820 -4.230 5.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.431 -4.694 4.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.459 -3.497 3.921 1.00 0.00 H new ATOM 707 N SER A 45 -6.615 -1.965 4.690 1.00 0.00 N ATOM 708 CA SER A 45 -7.884 -2.655 4.460 1.00 0.00 C ATOM 709 C SER A 45 -8.748 -1.927 3.435 1.00 0.00 C ATOM 710 O SER A 45 -8.933 -0.705 3.516 1.00 0.00 O ATOM 711 CB SER A 45 -8.652 -2.798 5.776 1.00 0.00 C ATOM 712 OG SER A 45 -7.907 -3.542 6.723 1.00 0.00 O ATOM 0 H SER A 45 -6.708 -1.051 5.133 1.00 0.00 H new ATOM 0 HA SER A 45 -7.652 -3.643 4.061 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.875 -1.810 6.179 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.607 -3.291 5.592 1.00 0.00 H new ATOM 0 HG SER A 45 -8.419 -3.618 7.555 1.00 0.00 H new ATOM 718 N ALA A 46 -9.294 -2.700 2.479 1.00 0.00 N ATOM 719 CA ALA A 46 -10.168 -2.162 1.426 1.00 0.00 C ATOM 720 C ALA A 46 -11.465 -1.609 2.022 1.00 0.00 C ATOM 721 O ALA A 46 -11.875 -0.493 1.690 1.00 0.00 O ATOM 722 CB ALA A 46 -10.465 -3.235 0.385 1.00 0.00 C ATOM 0 H ALA A 46 -9.142 -3.707 2.416 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.648 -1.339 0.935 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.113 -2.822 -0.388 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.532 -3.573 -0.066 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.963 -4.078 0.864 1.00 0.00 H new ATOM 728 N GLU A 47 -12.094 -2.410 2.911 1.00 0.00 N ATOM 729 CA GLU A 47 -13.348 -2.031 3.594 1.00 0.00 C ATOM 730 C GLU A 47 -13.241 -0.615 4.176 1.00 0.00 C ATOM 731 O GLU A 47 -14.046 0.262 3.836 1.00 0.00 O ATOM 732 CB GLU A 47 -13.699 -3.043 4.697 1.00 0.00 C ATOM 733 CG GLU A 47 -14.062 -4.432 4.176 1.00 0.00 C ATOM 734 CD GLU A 47 -14.409 -5.432 5.275 1.00 0.00 C ATOM 735 OE1 GLU A 47 -14.373 -5.064 6.473 1.00 0.00 O ATOM 736 OE2 GLU A 47 -14.718 -6.593 4.934 1.00 0.00 O ATOM 0 H GLU A 47 -11.747 -3.333 3.173 1.00 0.00 H new ATOM 0 HA GLU A 47 -14.151 -2.040 2.856 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.852 -3.132 5.377 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -14.535 -2.655 5.279 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -14.910 -4.345 3.497 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.226 -4.821 3.594 1.00 0.00 H new ATOM 743 N ASP A 48 -12.225 -0.394 5.037 1.00 0.00 N ATOM 744 CA ASP A 48 -11.980 0.919 5.654 1.00 0.00 C ATOM 745 C ASP A 48 -11.741 1.985 4.577 1.00 0.00 C ATOM 746 O ASP A 48 -12.357 3.056 4.614 1.00 0.00 O ATOM 747 CB ASP A 48 -10.772 0.855 6.607 1.00 0.00 C ATOM 748 CG ASP A 48 -10.961 -0.138 7.742 1.00 0.00 C ATOM 749 OD1 ASP A 48 -11.921 0.025 8.522 1.00 0.00 O ATOM 750 OD2 ASP A 48 -10.147 -1.080 7.848 1.00 0.00 O ATOM 0 H ASP A 48 -11.560 -1.114 5.319 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.865 1.192 6.229 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -9.882 0.583 6.039 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.593 1.846 7.025 1.00 0.00 H new ATOM 755 N CYS A 49 -10.832 1.668 3.624 1.00 0.00 N ATOM 756 CA CYS A 49 -10.486 2.582 2.516 1.00 0.00 C ATOM 757 C CYS A 49 -11.748 3.174 1.872 1.00 0.00 C ATOM 758 O CYS A 49 -11.841 4.384 1.691 1.00 0.00 O ATOM 759 CB CYS A 49 -9.630 1.882 1.451 1.00 0.00 C ATOM 760 SG CYS A 49 -8.864 3.039 0.268 1.00 0.00 S ATOM 0 H CYS A 49 -10.325 0.783 3.603 1.00 0.00 H new ATOM 0 HA CYS A 49 -9.898 3.394 2.944 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.847 1.306 1.945 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -10.251 1.172 0.904 1.00 0.00 H new ATOM 765 N MET A 50 -12.716 2.307 1.528 1.00 0.00 N ATOM 766 CA MET A 50 -13.972 2.727 0.909 1.00 0.00 C ATOM 767 C MET A 50 -14.869 3.518 1.878 1.00 0.00 C ATOM 768 O MET A 50 -15.448 4.537 1.493 1.00 0.00 O ATOM 769 CB MET A 50 -14.718 1.496 0.390 1.00 0.00 C ATOM 770 CG MET A 50 -14.091 0.866 -0.851 1.00 0.00 C ATOM 771 SD MET A 50 -14.989 -0.586 -1.446 1.00 0.00 S ATOM 772 CE MET A 50 -16.462 0.155 -2.157 1.00 0.00 C ATOM 0 H MET A 50 -12.644 1.300 1.673 1.00 0.00 H new ATOM 0 HA MET A 50 -13.728 3.395 0.083 1.00 0.00 H new ATOM 0 HB2 MET A 50 -14.760 0.749 1.182 1.00 0.00 H new ATOM 0 HB3 MET A 50 -15.746 1.777 0.162 1.00 0.00 H new ATOM 0 HG2 MET A 50 -14.049 1.610 -1.646 1.00 0.00 H new ATOM 0 HG3 MET A 50 -13.063 0.582 -0.626 1.00 0.00 H new ATOM 0 HE1 MET A 50 -17.044 -0.611 -2.669 1.00 0.00 H new ATOM 0 HE2 MET A 50 -17.065 0.599 -1.365 1.00 0.00 H new ATOM 0 HE3 MET A 50 -16.173 0.928 -2.869 1.00 0.00 H new ATOM 782 N ARG A 51 -14.988 3.050 3.132 1.00 0.00 N ATOM 783 CA ARG A 51 -15.833 3.737 4.130 1.00 0.00 C ATOM 784 C ARG A 51 -15.236 5.090 4.577 1.00 0.00 C ATOM 785 O ARG A 51 -15.943 5.917 5.160 1.00 0.00 O ATOM 786 CB ARG A 51 -16.129 2.831 5.347 1.00 0.00 C ATOM 787 CG ARG A 51 -14.934 2.494 6.236 1.00 0.00 C ATOM 788 CD ARG A 51 -15.379 1.756 7.489 1.00 0.00 C ATOM 789 NE ARG A 51 -14.307 1.653 8.486 1.00 0.00 N ATOM 790 CZ ARG A 51 -14.454 1.117 9.708 1.00 0.00 C ATOM 791 NH1 ARG A 51 -15.619 0.603 10.100 1.00 0.00 N ATOM 792 NH2 ARG A 51 -13.424 1.093 10.543 1.00 0.00 N ATOM 0 H ARG A 51 -14.519 2.213 3.477 1.00 0.00 H new ATOM 0 HA ARG A 51 -16.780 3.954 3.635 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -16.888 3.317 5.961 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -16.561 1.898 4.984 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -14.224 1.880 5.681 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -14.413 3.410 6.515 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -16.232 2.273 7.928 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -15.717 0.756 7.218 1.00 0.00 H new ATOM 0 HE ARG A 51 -13.387 2.013 8.233 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -16.419 0.612 9.467 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -15.711 0.200 11.033 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -12.525 1.481 10.256 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -13.530 0.687 11.473 1.00 0.00 H new ATOM 806 N THR A 52 -13.941 5.300 4.293 1.00 0.00 N ATOM 807 CA THR A 52 -13.254 6.541 4.656 1.00 0.00 C ATOM 808 C THR A 52 -13.089 7.450 3.423 1.00 0.00 C ATOM 809 O THR A 52 -13.405 8.642 3.483 1.00 0.00 O ATOM 810 CB THR A 52 -11.884 6.220 5.295 1.00 0.00 C ATOM 811 OG1 THR A 52 -12.010 5.184 6.253 1.00 0.00 O ATOM 812 CG2 THR A 52 -11.239 7.399 6.005 1.00 0.00 C ATOM 0 H THR A 52 -13.351 4.622 3.812 1.00 0.00 H new ATOM 0 HA THR A 52 -13.858 7.077 5.388 1.00 0.00 H new ATOM 0 HB THR A 52 -11.251 5.930 4.456 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.986 4.315 5.800 1.00 0.00 H new ATOM 0 HG21 THR A 52 -10.282 7.091 6.426 1.00 0.00 H new ATOM 0 HG22 THR A 52 -11.079 8.209 5.293 1.00 0.00 H new ATOM 0 HG23 THR A 52 -11.893 7.744 6.806 1.00 0.00 H new ATOM 820 N CYS A 53 -12.579 6.878 2.322 1.00 0.00 N ATOM 821 CA CYS A 53 -12.351 7.625 1.082 1.00 0.00 C ATOM 822 C CYS A 53 -13.076 7.011 -0.138 1.00 0.00 C ATOM 823 O CYS A 53 -12.571 7.041 -1.259 1.00 0.00 O ATOM 824 CB CYS A 53 -10.840 7.750 0.823 1.00 0.00 C ATOM 825 SG CYS A 53 -9.839 6.298 1.286 1.00 0.00 S ATOM 0 H CYS A 53 -12.316 5.894 2.268 1.00 0.00 H new ATOM 0 HA CYS A 53 -12.781 8.618 1.216 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -10.687 7.952 -0.237 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -10.466 8.616 1.369 1.00 0.00 H new ATOM 830 N GLY A 54 -14.260 6.450 0.084 1.00 0.00 N ATOM 831 CA GLY A 54 -15.023 5.846 -1.003 1.00 0.00 C ATOM 832 C GLY A 54 -16.449 6.358 -1.064 1.00 0.00 C ATOM 833 O GLY A 54 -16.700 7.443 -1.597 1.00 0.00 O ATOM 0 H GLY A 54 -14.709 6.401 0.998 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -14.525 6.052 -1.951 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -15.034 4.763 -0.877 1.00 0.00 H new