USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 394 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 10 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 13 SER OG : rot 88:sc= 1.07 USER MOD Single : A 1 ARG N :NH3+ -171:sc= -0.213 (180deg=-0.381) USER MOD Single : A 20 SER OG : rot 54:sc= 0.797 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 71:sc= 1.05 USER MOD Single : A 24 ASN : amide:sc= -0.0117 K(o=-0.012,f=-0.69) USER MOD Single : A 25 GLN : amide:sc= -3.28! C(o=-3.3!,f=-4.1!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -39:sc= 0.0476 USER MOD Single : A 28 ASN :FLIP amide:sc= -0.014 F(o=-0.69,f=-0.014) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0147 USER MOD Single : A 31 HIS : no HD1:sc= -0.209 X(o=-0.21,f=-0.022) USER MOD Single : A 32 SER OG : rot 180:sc= 0.0105 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.00644 USER MOD Single : A 35 TYR OH : rot 180:sc= -0.195 USER MOD Single : A 36 SER OG : rot 165:sc= 1.11 USER MOD Single : A 41 ASN : amide:sc= 0.64 K(o=0.64,f=-1.1) USER MOD Single : A 43 ASN : amide:sc= -0.0954 K(o=-0.095,f=-1.4) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.743 K(o=-0.74,f=-1.3) USER MOD Single : A 54 THR OG1 : rot -28:sc= 0.154 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 12.486 -5.582 3.124 1.00 0.00 N ATOM 2 CA ARG A 1 11.111 -5.216 2.763 1.00 0.00 C ATOM 3 C ARG A 1 10.202 -6.250 3.444 1.00 0.00 C ATOM 4 O ARG A 1 10.350 -7.445 3.175 1.00 0.00 O ATOM 5 CB ARG A 1 10.903 -5.188 1.233 1.00 0.00 C ATOM 6 CG ARG A 1 12.121 -4.795 0.377 1.00 0.00 C ATOM 7 CD ARG A 1 11.855 -5.118 -1.093 1.00 0.00 C ATOM 8 NE ARG A 1 12.850 -4.487 -1.969 1.00 0.00 N ATOM 9 CZ ARG A 1 12.984 -4.682 -3.288 1.00 0.00 C ATOM 10 NH1 ARG A 1 12.227 -5.573 -3.929 1.00 0.00 N ATOM 11 NH2 ARG A 1 13.881 -3.965 -3.952 1.00 0.00 N ATOM 0 H1 ARG A 1 13.137 -4.831 2.818 1.00 0.00 H new ATOM 0 H2 ARG A 1 12.554 -5.701 4.155 1.00 0.00 H new ATOM 0 H3 ARG A 1 12.742 -6.474 2.655 1.00 0.00 H new ATOM 0 HA ARG A 1 10.876 -4.206 3.100 1.00 0.00 H new ATOM 0 HB2 ARG A 1 10.569 -6.176 0.917 1.00 0.00 H new ATOM 0 HB3 ARG A 1 10.093 -4.493 1.012 1.00 0.00 H new ATOM 0 HG2 ARG A 1 12.328 -3.731 0.492 1.00 0.00 H new ATOM 0 HG3 ARG A 1 13.005 -5.331 0.721 1.00 0.00 H new ATOM 0 HD2 ARG A 1 11.873 -6.198 -1.239 1.00 0.00 H new ATOM 0 HD3 ARG A 1 10.857 -4.776 -1.367 1.00 0.00 H new ATOM 0 HE ARG A 1 13.503 -3.837 -1.531 1.00 0.00 H new ATOM 0 HH11 ARG A 1 11.534 -6.117 -3.415 1.00 0.00 H new ATOM 0 HH12 ARG A 1 12.341 -5.710 -4.933 1.00 0.00 H new ATOM 0 HH21 ARG A 1 14.453 -3.280 -3.458 1.00 0.00 H new ATOM 0 HH22 ARG A 1 13.998 -4.098 -4.956 1.00 0.00 H new ATOM 25 N PRO A 2 9.305 -5.841 4.352 1.00 0.00 N ATOM 26 CA PRO A 2 8.420 -6.759 5.059 1.00 0.00 C ATOM 27 C PRO A 2 7.407 -7.416 4.115 1.00 0.00 C ATOM 28 O PRO A 2 6.959 -6.814 3.136 1.00 0.00 O ATOM 29 CB PRO A 2 7.756 -5.914 6.142 1.00 0.00 C ATOM 30 CG PRO A 2 7.751 -4.508 5.545 1.00 0.00 C ATOM 31 CD PRO A 2 9.053 -4.468 4.750 1.00 0.00 C ATOM 0 HA PRO A 2 8.964 -7.598 5.494 1.00 0.00 H new ATOM 0 HB2 PRO A 2 6.746 -6.261 6.359 1.00 0.00 H new ATOM 0 HB3 PRO A 2 8.314 -5.951 7.078 1.00 0.00 H new ATOM 0 HG2 PRO A 2 6.883 -4.344 4.906 1.00 0.00 H new ATOM 0 HG3 PRO A 2 7.727 -3.741 6.319 1.00 0.00 H new ATOM 0 HD2 PRO A 2 8.962 -3.817 3.880 1.00 0.00 H new ATOM 0 HD3 PRO A 2 9.871 -4.078 5.356 1.00 0.00 H new ATOM 39 N ARG A 3 6.993 -8.643 4.432 1.00 0.00 N ATOM 40 CA ARG A 3 6.046 -9.401 3.613 1.00 0.00 C ATOM 41 C ARG A 3 4.656 -8.775 3.583 1.00 0.00 C ATOM 42 O ARG A 3 3.901 -9.004 2.646 1.00 0.00 O ATOM 43 CB ARG A 3 6.035 -10.876 4.053 1.00 0.00 C ATOM 44 CG ARG A 3 5.223 -11.193 5.324 1.00 0.00 C ATOM 45 CD ARG A 3 3.853 -11.810 4.995 1.00 0.00 C ATOM 46 NE ARG A 3 3.972 -13.214 4.563 1.00 0.00 N ATOM 47 CZ ARG A 3 4.102 -14.285 5.356 1.00 0.00 C ATOM 48 NH1 ARG A 3 4.167 -14.135 6.675 1.00 0.00 N ATOM 49 NH2 ARG A 3 4.173 -15.505 4.836 1.00 0.00 N ATOM 0 H ARG A 3 7.305 -9.141 5.266 1.00 0.00 H new ATOM 0 HA ARG A 3 6.387 -9.364 2.578 1.00 0.00 H new ATOM 0 HB2 ARG A 3 5.640 -11.477 3.234 1.00 0.00 H new ATOM 0 HB3 ARG A 3 7.065 -11.195 4.214 1.00 0.00 H new ATOM 0 HG2 ARG A 3 5.788 -11.881 5.953 1.00 0.00 H new ATOM 0 HG3 ARG A 3 5.080 -10.279 5.900 1.00 0.00 H new ATOM 0 HD2 ARG A 3 3.209 -11.754 5.873 1.00 0.00 H new ATOM 0 HD3 ARG A 3 3.372 -11.228 4.209 1.00 0.00 H new ATOM 0 HE ARG A 3 3.953 -13.387 3.558 1.00 0.00 H new ATOM 0 HH11 ARG A 3 4.118 -13.202 7.085 1.00 0.00 H new ATOM 0 HH12 ARG A 3 4.266 -14.952 7.277 1.00 0.00 H new ATOM 0 HH21 ARG A 3 4.129 -15.632 3.825 1.00 0.00 H new ATOM 0 HH22 ARG A 3 4.272 -16.315 5.448 1.00 0.00 H new ATOM 63 N PHE A 4 4.291 -7.968 4.581 1.00 0.00 N ATOM 64 CA PHE A 4 2.980 -7.341 4.587 1.00 0.00 C ATOM 65 C PHE A 4 2.875 -6.297 3.464 1.00 0.00 C ATOM 66 O PHE A 4 1.774 -6.000 3.004 1.00 0.00 O ATOM 67 CB PHE A 4 2.681 -6.754 5.973 1.00 0.00 C ATOM 68 CG PHE A 4 3.444 -5.498 6.335 1.00 0.00 C ATOM 69 CD1 PHE A 4 3.146 -4.275 5.701 1.00 0.00 C ATOM 70 CD2 PHE A 4 4.445 -5.552 7.317 1.00 0.00 C ATOM 71 CE1 PHE A 4 3.899 -3.127 6.002 1.00 0.00 C ATOM 72 CE2 PHE A 4 5.176 -4.395 7.634 1.00 0.00 C ATOM 73 CZ PHE A 4 4.908 -3.183 6.977 1.00 0.00 C ATOM 0 H PHE A 4 4.879 -7.739 5.382 1.00 0.00 H new ATOM 0 HA PHE A 4 2.217 -8.093 4.386 1.00 0.00 H new ATOM 0 HB2 PHE A 4 1.614 -6.538 6.033 1.00 0.00 H new ATOM 0 HB3 PHE A 4 2.895 -7.515 6.723 1.00 0.00 H new ATOM 0 HD1 PHE A 4 2.340 -4.220 4.985 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.653 -6.481 7.828 1.00 0.00 H new ATOM 0 HE1 PHE A 4 3.701 -2.201 5.483 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.949 -4.438 8.387 1.00 0.00 H new ATOM 0 HZ PHE A 4 5.476 -2.297 7.221 1.00 0.00 H new ATOM 83 N CYS A 5 4.000 -5.728 3.014 1.00 0.00 N ATOM 84 CA CYS A 5 4.013 -4.730 1.958 1.00 0.00 C ATOM 85 C CYS A 5 3.782 -5.337 0.576 1.00 0.00 C ATOM 86 O CYS A 5 3.515 -4.587 -0.355 1.00 0.00 O ATOM 87 CB CYS A 5 5.359 -3.995 1.958 1.00 0.00 C ATOM 88 SG CYS A 5 5.240 -2.234 2.324 1.00 0.00 S ATOM 0 H CYS A 5 4.926 -5.953 3.379 1.00 0.00 H new ATOM 0 HA CYS A 5 3.194 -4.040 2.161 1.00 0.00 H new ATOM 0 HB2 CYS A 5 6.016 -4.463 2.691 1.00 0.00 H new ATOM 0 HB3 CYS A 5 5.829 -4.121 0.983 1.00 0.00 H new ATOM 93 N GLU A 6 3.826 -6.659 0.420 1.00 0.00 N ATOM 94 CA GLU A 6 3.651 -7.284 -0.890 1.00 0.00 C ATOM 95 C GLU A 6 2.304 -7.983 -1.066 1.00 0.00 C ATOM 96 O GLU A 6 2.177 -8.865 -1.922 1.00 0.00 O ATOM 97 CB GLU A 6 4.880 -8.153 -1.179 1.00 0.00 C ATOM 98 CG GLU A 6 5.032 -9.466 -0.419 1.00 0.00 C ATOM 99 CD GLU A 6 6.206 -10.271 -0.972 1.00 0.00 C ATOM 100 OE1 GLU A 6 7.301 -9.689 -1.148 1.00 0.00 O ATOM 101 OE2 GLU A 6 6.026 -11.487 -1.207 1.00 0.00 O ATOM 0 H GLU A 6 3.981 -7.317 1.183 1.00 0.00 H new ATOM 0 HA GLU A 6 3.599 -6.511 -1.657 1.00 0.00 H new ATOM 0 HB2 GLU A 6 4.881 -8.384 -2.244 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.767 -7.551 -0.982 1.00 0.00 H new ATOM 0 HG2 GLU A 6 5.189 -9.264 0.640 1.00 0.00 H new ATOM 0 HG3 GLU A 6 4.114 -10.048 -0.500 1.00 0.00 H new ATOM 108 N LEU A 7 1.309 -7.635 -0.241 1.00 0.00 N ATOM 109 CA LEU A 7 -0.017 -8.233 -0.288 1.00 0.00 C ATOM 110 C LEU A 7 -0.880 -7.515 -1.328 1.00 0.00 C ATOM 111 O LEU A 7 -0.521 -6.441 -1.817 1.00 0.00 O ATOM 112 CB LEU A 7 -0.660 -8.213 1.110 1.00 0.00 C ATOM 113 CG LEU A 7 0.172 -8.836 2.249 1.00 0.00 C ATOM 114 CD1 LEU A 7 -0.637 -8.774 3.543 1.00 0.00 C ATOM 115 CD2 LEU A 7 0.614 -10.280 2.036 1.00 0.00 C ATOM 0 H LEU A 7 1.410 -6.923 0.482 1.00 0.00 H new ATOM 0 HA LEU A 7 0.066 -9.276 -0.593 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.879 -7.178 1.372 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.614 -8.737 1.056 1.00 0.00 H new ATOM 0 HG LEU A 7 1.088 -8.246 2.286 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.058 -9.212 4.356 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.866 -7.735 3.780 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.566 -9.331 3.418 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.191 -10.615 2.898 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.264 -10.916 1.918 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.231 -10.343 1.140 1.00 0.00 H new ATOM 127 N ALA A 8 -2.023 -8.101 -1.673 1.00 0.00 N ATOM 128 CA ALA A 8 -2.973 -7.572 -2.651 1.00 0.00 C ATOM 129 C ALA A 8 -4.091 -6.869 -1.872 1.00 0.00 C ATOM 130 O ALA A 8 -4.794 -7.548 -1.117 1.00 0.00 O ATOM 131 CB ALA A 8 -3.520 -8.710 -3.516 1.00 0.00 C ATOM 0 H ALA A 8 -2.325 -8.987 -1.267 1.00 0.00 H new ATOM 0 HA ALA A 8 -2.493 -6.861 -3.323 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.227 -8.308 -4.242 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -2.697 -9.196 -4.041 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.026 -9.438 -2.882 1.00 0.00 H new ATOM 137 N PRO A 9 -4.284 -5.546 -2.023 1.00 0.00 N ATOM 138 CA PRO A 9 -5.301 -4.820 -1.285 1.00 0.00 C ATOM 139 C PRO A 9 -6.715 -5.228 -1.712 1.00 0.00 C ATOM 140 O PRO A 9 -7.212 -4.760 -2.732 1.00 0.00 O ATOM 141 CB PRO A 9 -5.015 -3.336 -1.504 1.00 0.00 C ATOM 142 CG PRO A 9 -4.280 -3.307 -2.836 1.00 0.00 C ATOM 143 CD PRO A 9 -3.537 -4.642 -2.882 1.00 0.00 C ATOM 0 HA PRO A 9 -5.261 -5.055 -0.221 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.934 -2.751 -1.540 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.406 -2.922 -0.701 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.973 -3.208 -3.671 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.590 -2.465 -2.892 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.486 -5.025 -3.901 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.511 -4.530 -2.532 1.00 0.00 H new ATOM 151 N SER A 10 -7.381 -6.048 -0.894 1.00 0.00 N ATOM 152 CA SER A 10 -8.737 -6.560 -1.094 1.00 0.00 C ATOM 153 C SER A 10 -9.826 -5.477 -0.895 1.00 0.00 C ATOM 154 O SER A 10 -10.778 -5.655 -0.126 1.00 0.00 O ATOM 155 CB SER A 10 -8.915 -7.784 -0.180 1.00 0.00 C ATOM 156 OG SER A 10 -10.053 -8.522 -0.557 1.00 0.00 O ATOM 0 H SER A 10 -6.965 -6.390 -0.028 1.00 0.00 H new ATOM 0 HA SER A 10 -8.867 -6.866 -2.132 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.030 -8.417 -0.235 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.012 -7.460 0.856 1.00 0.00 H new ATOM 0 HG SER A 10 -10.150 -9.298 0.034 1.00 0.00 H new ATOM 162 N ALA A 11 -9.678 -4.324 -1.549 1.00 0.00 N ATOM 163 CA ALA A 11 -10.585 -3.185 -1.475 1.00 0.00 C ATOM 164 C ALA A 11 -11.996 -3.487 -2.005 1.00 0.00 C ATOM 165 O ALA A 11 -12.943 -2.803 -1.624 1.00 0.00 O ATOM 166 CB ALA A 11 -9.942 -1.997 -2.208 1.00 0.00 C ATOM 0 H ALA A 11 -8.887 -4.154 -2.171 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.733 -2.938 -0.424 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.609 -1.136 -2.161 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -8.993 -1.747 -1.733 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.767 -2.264 -3.250 1.00 0.00 H new ATOM 172 N GLY A 12 -12.182 -4.527 -2.819 1.00 0.00 N ATOM 173 CA GLY A 12 -13.491 -4.875 -3.369 1.00 0.00 C ATOM 174 C GLY A 12 -14.444 -5.482 -2.336 1.00 0.00 C ATOM 175 O GLY A 12 -15.612 -5.735 -2.644 1.00 0.00 O ATOM 0 H GLY A 12 -11.431 -5.150 -3.115 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -13.948 -3.981 -3.792 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.356 -5.582 -4.188 1.00 0.00 H new ATOM 179 N SER A 13 -13.969 -5.709 -1.107 1.00 0.00 N ATOM 180 CA SER A 13 -14.748 -6.293 -0.027 1.00 0.00 C ATOM 181 C SER A 13 -15.970 -5.450 0.361 1.00 0.00 C ATOM 182 O SER A 13 -17.013 -6.020 0.696 1.00 0.00 O ATOM 183 CB SER A 13 -13.839 -6.505 1.180 1.00 0.00 C ATOM 184 OG SER A 13 -12.752 -7.357 0.864 1.00 0.00 O ATOM 0 H SER A 13 -13.011 -5.485 -0.837 1.00 0.00 H new ATOM 0 HA SER A 13 -15.141 -7.246 -0.380 1.00 0.00 H new ATOM 0 HB2 SER A 13 -13.461 -5.543 1.526 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.414 -6.935 2.000 1.00 0.00 H new ATOM 0 HG SER A 13 -12.012 -6.824 0.504 1.00 0.00 H new ATOM 190 N CYS A 14 -15.865 -4.122 0.374 1.00 0.00 N ATOM 191 CA CYS A 14 -16.950 -3.206 0.717 1.00 0.00 C ATOM 192 C CYS A 14 -16.919 -2.022 -0.233 1.00 0.00 C ATOM 193 O CYS A 14 -15.934 -1.835 -0.953 1.00 0.00 O ATOM 194 CB CYS A 14 -16.847 -2.742 2.174 1.00 0.00 C ATOM 195 SG CYS A 14 -17.259 -4.029 3.376 1.00 0.00 S ATOM 0 H CYS A 14 -14.997 -3.640 0.139 1.00 0.00 H new ATOM 0 HA CYS A 14 -17.901 -3.728 0.614 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -15.833 -2.391 2.364 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -17.512 -1.891 2.323 1.00 0.00 H new ATOM 200 N PHE A 15 -17.991 -1.230 -0.247 1.00 0.00 N ATOM 201 CA PHE A 15 -18.066 -0.079 -1.120 1.00 0.00 C ATOM 202 C PHE A 15 -17.712 1.167 -0.325 1.00 0.00 C ATOM 203 O PHE A 15 -18.496 1.627 0.506 1.00 0.00 O ATOM 204 CB PHE A 15 -19.470 0.033 -1.729 1.00 0.00 C ATOM 205 CG PHE A 15 -19.525 0.997 -2.896 1.00 0.00 C ATOM 206 CD1 PHE A 15 -19.356 2.382 -2.691 1.00 0.00 C ATOM 207 CD2 PHE A 15 -19.691 0.504 -4.203 1.00 0.00 C ATOM 208 CE1 PHE A 15 -19.305 3.258 -3.784 1.00 0.00 C ATOM 209 CE2 PHE A 15 -19.704 1.388 -5.294 1.00 0.00 C ATOM 210 CZ PHE A 15 -19.505 2.762 -5.083 1.00 0.00 C ATOM 0 H PHE A 15 -18.814 -1.372 0.339 1.00 0.00 H new ATOM 0 HA PHE A 15 -17.357 -0.188 -1.941 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -19.797 -0.952 -2.061 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -20.170 0.359 -0.960 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -19.265 2.770 -1.687 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -19.809 -0.557 -4.368 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -19.113 4.309 -3.628 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -19.867 1.012 -6.293 1.00 0.00 H new ATOM 0 HZ PHE A 15 -19.506 3.441 -5.923 1.00 0.00 H new ATOM 220 N ALA A 16 -16.522 1.701 -0.566 1.00 0.00 N ATOM 221 CA ALA A 16 -16.029 2.912 0.057 1.00 0.00 C ATOM 222 C ALA A 16 -15.089 3.588 -0.938 1.00 0.00 C ATOM 223 O ALA A 16 -14.694 2.988 -1.946 1.00 0.00 O ATOM 224 CB ALA A 16 -15.334 2.587 1.381 1.00 0.00 C ATOM 0 H ALA A 16 -15.857 1.288 -1.220 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.847 3.591 0.300 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -14.969 3.508 1.836 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.042 2.105 2.055 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.495 1.917 1.196 1.00 0.00 H new ATOM 230 N PHE A 17 -14.726 4.840 -0.668 1.00 0.00 N ATOM 231 CA PHE A 17 -13.808 5.590 -1.509 1.00 0.00 C ATOM 232 C PHE A 17 -12.774 6.232 -0.595 1.00 0.00 C ATOM 233 O PHE A 17 -13.063 7.272 0.007 1.00 0.00 O ATOM 234 CB PHE A 17 -14.586 6.589 -2.380 1.00 0.00 C ATOM 235 CG PHE A 17 -13.887 7.030 -3.656 1.00 0.00 C ATOM 236 CD1 PHE A 17 -12.507 7.308 -3.676 1.00 0.00 C ATOM 237 CD2 PHE A 17 -14.631 7.169 -4.844 1.00 0.00 C ATOM 238 CE1 PHE A 17 -11.874 7.688 -4.867 1.00 0.00 C ATOM 239 CE2 PHE A 17 -14.007 7.604 -6.025 1.00 0.00 C ATOM 240 CZ PHE A 17 -12.627 7.856 -6.039 1.00 0.00 C ATOM 0 H PHE A 17 -15.063 5.360 0.142 1.00 0.00 H new ATOM 0 HA PHE A 17 -13.279 4.949 -2.215 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -15.544 6.142 -2.647 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -14.803 7.474 -1.781 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -11.931 7.228 -2.766 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -15.686 6.940 -4.847 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -10.807 7.852 -4.883 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -14.590 7.745 -6.923 1.00 0.00 H new ATOM 0 HZ PHE A 17 -12.145 8.179 -6.950 1.00 0.00 H new ATOM 250 N VAL A 18 -11.602 5.622 -0.441 1.00 0.00 N ATOM 251 CA VAL A 18 -10.520 6.134 0.392 1.00 0.00 C ATOM 252 C VAL A 18 -9.201 5.949 -0.371 1.00 0.00 C ATOM 253 O VAL A 18 -8.593 4.881 -0.273 1.00 0.00 O ATOM 254 CB VAL A 18 -10.542 5.497 1.804 1.00 0.00 C ATOM 255 CG1 VAL A 18 -11.615 6.162 2.676 1.00 0.00 C ATOM 256 CG2 VAL A 18 -10.805 3.982 1.829 1.00 0.00 C ATOM 0 H VAL A 18 -11.374 4.741 -0.901 1.00 0.00 H new ATOM 0 HA VAL A 18 -10.645 7.200 0.581 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.535 5.662 2.188 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.617 5.702 3.664 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.399 7.226 2.771 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.593 6.031 2.213 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.801 3.629 2.860 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -11.775 3.774 1.377 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.025 3.468 1.267 1.00 0.00 H new ATOM 266 N PRO A 19 -8.719 6.940 -1.148 1.00 0.00 N ATOM 267 CA PRO A 19 -7.469 6.781 -1.872 1.00 0.00 C ATOM 268 C PRO A 19 -6.364 6.567 -0.847 1.00 0.00 C ATOM 269 O PRO A 19 -6.237 7.334 0.113 1.00 0.00 O ATOM 270 CB PRO A 19 -7.276 8.042 -2.713 1.00 0.00 C ATOM 271 CG PRO A 19 -8.110 9.082 -1.976 1.00 0.00 C ATOM 272 CD PRO A 19 -9.264 8.265 -1.389 1.00 0.00 C ATOM 0 HA PRO A 19 -7.460 5.922 -2.543 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.227 8.333 -2.768 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.622 7.900 -3.737 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.533 9.580 -1.196 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.471 9.859 -2.651 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -9.631 8.712 -0.465 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.106 8.223 -2.080 1.00 0.00 H new ATOM 280 N SER A 20 -5.635 5.468 -0.996 1.00 0.00 N ATOM 281 CA SER A 20 -4.541 5.103 -0.105 1.00 0.00 C ATOM 282 C SER A 20 -3.242 4.899 -0.901 1.00 0.00 C ATOM 283 O SER A 20 -3.220 5.177 -2.096 1.00 0.00 O ATOM 284 CB SER A 20 -4.974 3.910 0.733 1.00 0.00 C ATOM 285 OG SER A 20 -6.220 4.165 1.374 1.00 0.00 O ATOM 0 H SER A 20 -5.789 4.797 -1.748 1.00 0.00 H new ATOM 0 HA SER A 20 -4.311 5.908 0.593 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.060 3.027 0.099 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.213 3.691 1.482 1.00 0.00 H new ATOM 0 HG SER A 20 -6.883 4.434 0.705 1.00 0.00 H new ATOM 291 N TYR A 21 -2.137 4.461 -0.289 1.00 0.00 N ATOM 292 CA TYR A 21 -0.874 4.238 -1.010 1.00 0.00 C ATOM 293 C TYR A 21 -0.562 2.747 -1.076 1.00 0.00 C ATOM 294 O TYR A 21 -0.724 2.012 -0.095 1.00 0.00 O ATOM 295 CB TYR A 21 0.287 4.977 -0.349 1.00 0.00 C ATOM 296 CG TYR A 21 0.613 6.357 -0.868 1.00 0.00 C ATOM 297 CD1 TYR A 21 1.564 6.553 -1.892 1.00 0.00 C ATOM 298 CD2 TYR A 21 0.030 7.464 -0.240 1.00 0.00 C ATOM 299 CE1 TYR A 21 1.857 7.853 -2.342 1.00 0.00 C ATOM 300 CE2 TYR A 21 0.392 8.763 -0.614 1.00 0.00 C ATOM 301 CZ TYR A 21 1.298 8.969 -1.678 1.00 0.00 C ATOM 302 OH TYR A 21 1.672 10.225 -2.036 1.00 0.00 O ATOM 0 H TYR A 21 -2.089 4.252 0.708 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.996 4.631 -2.019 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.072 5.059 0.716 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.180 4.360 -0.447 1.00 0.00 H new ATOM 0 HD1 TYR A 21 2.067 5.704 -2.331 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.704 7.315 0.538 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.507 7.998 -3.192 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -0.022 9.610 -0.088 1.00 0.00 H new ATOM 0 HH TYR A 21 1.195 10.879 -1.483 1.00 0.00 H new ATOM 312 N TYR A 22 -0.119 2.333 -2.259 1.00 0.00 N ATOM 313 CA TYR A 22 0.273 0.998 -2.666 1.00 0.00 C ATOM 314 C TYR A 22 1.801 0.937 -2.648 1.00 0.00 C ATOM 315 O TYR A 22 2.451 1.973 -2.784 1.00 0.00 O ATOM 316 CB TYR A 22 -0.220 0.802 -4.118 1.00 0.00 C ATOM 317 CG TYR A 22 -0.404 -0.635 -4.548 1.00 0.00 C ATOM 318 CD1 TYR A 22 0.688 -1.419 -4.957 1.00 0.00 C ATOM 319 CD2 TYR A 22 -1.694 -1.181 -4.593 1.00 0.00 C ATOM 320 CE1 TYR A 22 0.510 -2.765 -5.316 1.00 0.00 C ATOM 321 CE2 TYR A 22 -1.894 -2.490 -5.045 1.00 0.00 C ATOM 322 CZ TYR A 22 -0.794 -3.303 -5.385 1.00 0.00 C ATOM 323 OH TYR A 22 -1.002 -4.593 -5.756 1.00 0.00 O ATOM 0 H TYR A 22 -0.018 2.994 -3.029 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.143 0.233 -2.010 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.170 1.324 -4.236 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.491 1.278 -4.793 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.675 -0.982 -4.996 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.539 -0.588 -4.277 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.366 -3.385 -5.538 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.897 -2.880 -5.134 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.963 -4.786 -5.745 1.00 0.00 H new ATOM 333 N TYR A 23 2.366 -0.259 -2.539 1.00 0.00 N ATOM 334 CA TYR A 23 3.810 -0.509 -2.533 1.00 0.00 C ATOM 335 C TYR A 23 4.161 -1.396 -3.724 1.00 0.00 C ATOM 336 O TYR A 23 3.483 -2.404 -3.935 1.00 0.00 O ATOM 337 CB TYR A 23 4.262 -1.181 -1.236 1.00 0.00 C ATOM 338 CG TYR A 23 5.728 -1.577 -1.289 1.00 0.00 C ATOM 339 CD1 TYR A 23 6.729 -0.587 -1.262 1.00 0.00 C ATOM 340 CD2 TYR A 23 6.095 -2.928 -1.439 1.00 0.00 C ATOM 341 CE1 TYR A 23 8.083 -0.943 -1.367 1.00 0.00 C ATOM 342 CE2 TYR A 23 7.453 -3.288 -1.481 1.00 0.00 C ATOM 343 CZ TYR A 23 8.454 -2.295 -1.490 1.00 0.00 C ATOM 344 OH TYR A 23 9.767 -2.629 -1.615 1.00 0.00 O ATOM 0 H TYR A 23 1.817 -1.114 -2.449 1.00 0.00 H new ATOM 0 HA TYR A 23 4.327 0.448 -2.605 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.098 -0.503 -0.399 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.652 -2.066 -1.053 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.454 0.452 -1.160 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.332 -3.688 -1.522 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.843 -0.176 -1.353 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.731 -4.331 -1.507 1.00 0.00 H new ATOM 0 HH TYR A 23 10.226 -2.474 -0.763 1.00 0.00 H new ATOM 354 N ASN A 24 5.186 -1.022 -4.497 1.00 0.00 N ATOM 355 CA ASN A 24 5.629 -1.765 -5.673 1.00 0.00 C ATOM 356 C ASN A 24 7.102 -2.141 -5.538 1.00 0.00 C ATOM 357 O ASN A 24 7.981 -1.405 -5.990 1.00 0.00 O ATOM 358 CB ASN A 24 5.398 -0.967 -6.975 1.00 0.00 C ATOM 359 CG ASN A 24 3.930 -0.884 -7.377 1.00 0.00 C ATOM 360 OD1 ASN A 24 3.177 -1.842 -7.234 1.00 0.00 O ATOM 361 ND2 ASN A 24 3.496 0.238 -7.918 1.00 0.00 N ATOM 0 H ASN A 24 5.736 -0.182 -4.318 1.00 0.00 H new ATOM 0 HA ASN A 24 5.031 -2.675 -5.733 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.791 0.042 -6.850 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.963 -1.431 -7.783 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.526 0.315 -8.222 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.131 1.028 -8.032 1.00 0.00 H new ATOM 368 N GLN A 25 7.378 -3.322 -4.976 1.00 0.00 N ATOM 369 CA GLN A 25 8.733 -3.856 -4.792 1.00 0.00 C ATOM 370 C GLN A 25 9.497 -3.881 -6.112 1.00 0.00 C ATOM 371 O GLN A 25 10.679 -3.549 -6.126 1.00 0.00 O ATOM 372 CB GLN A 25 8.754 -5.277 -4.191 1.00 0.00 C ATOM 373 CG GLN A 25 7.616 -6.229 -4.593 1.00 0.00 C ATOM 374 CD GLN A 25 6.329 -5.906 -3.847 1.00 0.00 C ATOM 375 OE1 GLN A 25 6.294 -5.964 -2.630 1.00 0.00 O ATOM 376 NE2 GLN A 25 5.278 -5.475 -4.520 1.00 0.00 N ATOM 0 H GLN A 25 6.651 -3.947 -4.629 1.00 0.00 H new ATOM 0 HA GLN A 25 9.214 -3.181 -4.084 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.699 -5.746 -4.466 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.748 -5.184 -3.105 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.443 -6.158 -5.667 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.910 -7.258 -4.385 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.309 -5.427 -5.538 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.435 -5.190 -4.022 1.00 0.00 H new ATOM 385 N TYR A 26 8.806 -4.217 -7.206 1.00 0.00 N ATOM 386 CA TYR A 26 9.351 -4.300 -8.553 1.00 0.00 C ATOM 387 C TYR A 26 10.094 -3.022 -8.952 1.00 0.00 C ATOM 388 O TYR A 26 11.098 -3.098 -9.655 1.00 0.00 O ATOM 389 CB TYR A 26 8.199 -4.527 -9.546 1.00 0.00 C ATOM 390 CG TYR A 26 7.290 -5.704 -9.243 1.00 0.00 C ATOM 391 CD1 TYR A 26 7.674 -6.999 -9.636 1.00 0.00 C ATOM 392 CD2 TYR A 26 6.057 -5.508 -8.589 1.00 0.00 C ATOM 393 CE1 TYR A 26 6.832 -8.097 -9.393 1.00 0.00 C ATOM 394 CE2 TYR A 26 5.213 -6.605 -8.337 1.00 0.00 C ATOM 395 CZ TYR A 26 5.593 -7.904 -8.748 1.00 0.00 C ATOM 396 OH TYR A 26 4.798 -8.974 -8.475 1.00 0.00 O ATOM 0 H TYR A 26 7.813 -4.447 -7.169 1.00 0.00 H new ATOM 0 HA TYR A 26 10.061 -5.127 -8.574 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.592 -3.623 -9.582 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.623 -4.666 -10.540 1.00 0.00 H new ATOM 0 HD1 TYR A 26 8.623 -7.150 -10.128 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.760 -4.516 -8.281 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.133 -9.088 -9.700 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.272 -6.455 -7.828 1.00 0.00 H new ATOM 0 HH TYR A 26 3.981 -8.669 -8.027 1.00 0.00 H new ATOM 406 N SER A 27 9.619 -1.867 -8.479 1.00 0.00 N ATOM 407 CA SER A 27 10.165 -0.548 -8.761 1.00 0.00 C ATOM 408 C SER A 27 10.756 0.116 -7.508 1.00 0.00 C ATOM 409 O SER A 27 11.154 1.282 -7.554 1.00 0.00 O ATOM 410 CB SER A 27 9.021 0.248 -9.397 1.00 0.00 C ATOM 411 OG SER A 27 9.451 1.414 -10.055 1.00 0.00 O ATOM 0 H SER A 27 8.807 -1.830 -7.862 1.00 0.00 H new ATOM 0 HA SER A 27 11.013 -0.600 -9.444 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.496 -0.389 -10.109 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.303 0.520 -8.623 1.00 0.00 H new ATOM 0 HG SER A 27 10.160 1.843 -9.531 1.00 0.00 H new ATOM 417 N ASN A 28 10.849 -0.621 -6.395 1.00 0.00 N ATOM 418 CA ASN A 28 11.362 -0.185 -5.105 1.00 0.00 C ATOM 419 C ASN A 28 10.803 1.199 -4.770 1.00 0.00 C ATOM 420 O ASN A 28 11.544 2.140 -4.503 1.00 0.00 O ATOM 421 CB ASN A 28 12.895 -0.282 -5.110 1.00 0.00 C ATOM 422 CG ASN A 28 13.530 -0.072 -3.746 1.00 0.00 C ATOM 423 OD1 ASN A 28 13.141 -0.831 -2.732 1.00 0.00 O flip ATOM 424 ND2 ASN A 28 14.424 0.746 -3.582 1.00 0.00 N flip ATOM 0 H ASN A 28 10.548 -1.595 -6.377 1.00 0.00 H new ATOM 0 HA ASN A 28 11.025 -0.837 -4.299 1.00 0.00 H new ATOM 0 HB2 ASN A 28 13.186 -1.262 -5.488 1.00 0.00 H new ATOM 0 HB3 ASN A 28 13.294 0.459 -5.803 1.00 0.00 H new ATOM 0 HD21 ASN A 28 14.727 1.333 -4.359 1.00 0.00 H new ATOM 0 HD22 ASN A 28 14.866 0.842 -2.668 1.00 0.00 H new ATOM 431 N THR A 29 9.481 1.350 -4.857 1.00 0.00 N ATOM 432 CA THR A 29 8.800 2.602 -4.573 1.00 0.00 C ATOM 433 C THR A 29 7.360 2.314 -4.141 1.00 0.00 C ATOM 434 O THR A 29 6.973 1.155 -3.952 1.00 0.00 O ATOM 435 CB THR A 29 8.918 3.537 -5.797 1.00 0.00 C ATOM 436 OG1 THR A 29 8.731 4.884 -5.411 1.00 0.00 O ATOM 437 CG2 THR A 29 7.961 3.208 -6.948 1.00 0.00 C ATOM 0 H THR A 29 8.851 0.595 -5.130 1.00 0.00 H new ATOM 0 HA THR A 29 9.267 3.127 -3.740 1.00 0.00 H new ATOM 0 HB THR A 29 9.927 3.376 -6.178 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.810 5.464 -6.197 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.115 3.916 -7.763 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.155 2.196 -7.305 1.00 0.00 H new ATOM 0 HG23 THR A 29 6.932 3.278 -6.596 1.00 0.00 H new ATOM 445 N CYS A 30 6.577 3.369 -3.938 1.00 0.00 N ATOM 446 CA CYS A 30 5.184 3.325 -3.540 1.00 0.00 C ATOM 447 C CYS A 30 4.427 4.209 -4.520 1.00 0.00 C ATOM 448 O CYS A 30 5.027 5.082 -5.149 1.00 0.00 O ATOM 449 CB CYS A 30 5.023 3.847 -2.113 1.00 0.00 C ATOM 450 SG CYS A 30 6.215 3.192 -0.917 1.00 0.00 S ATOM 0 H CYS A 30 6.919 4.323 -4.054 1.00 0.00 H new ATOM 0 HA CYS A 30 4.801 2.305 -3.556 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.107 4.934 -2.128 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.017 3.610 -1.767 1.00 0.00 H new ATOM 455 N HIS A 31 3.117 4.024 -4.639 1.00 0.00 N ATOM 456 CA HIS A 31 2.308 4.803 -5.558 1.00 0.00 C ATOM 457 C HIS A 31 0.895 4.910 -5.018 1.00 0.00 C ATOM 458 O HIS A 31 0.362 3.923 -4.509 1.00 0.00 O ATOM 459 CB HIS A 31 2.328 4.092 -6.918 1.00 0.00 C ATOM 460 CG HIS A 31 2.018 4.994 -8.074 1.00 0.00 C ATOM 461 ND1 HIS A 31 1.231 4.688 -9.161 1.00 0.00 N ATOM 462 CD2 HIS A 31 2.625 6.194 -8.312 1.00 0.00 C ATOM 463 CE1 HIS A 31 1.365 5.680 -10.054 1.00 0.00 C ATOM 464 NE2 HIS A 31 2.206 6.618 -9.579 1.00 0.00 N ATOM 0 H HIS A 31 2.592 3.333 -4.103 1.00 0.00 H new ATOM 0 HA HIS A 31 2.701 5.814 -5.670 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.311 3.646 -7.070 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.606 3.276 -6.902 1.00 0.00 H new ATOM 0 HD2 HIS A 31 3.299 6.716 -7.650 1.00 0.00 H new ATOM 0 HE1 HIS A 31 0.871 5.720 -11.013 1.00 0.00 H new ATOM 0 HE2 HIS A 31 2.486 7.477 -10.053 1.00 0.00 H new ATOM 472 N SER A 32 0.280 6.086 -5.084 1.00 0.00 N ATOM 473 CA SER A 32 -1.081 6.242 -4.596 1.00 0.00 C ATOM 474 C SER A 32 -2.037 5.387 -5.443 1.00 0.00 C ATOM 475 O SER A 32 -1.823 5.219 -6.647 1.00 0.00 O ATOM 476 CB SER A 32 -1.442 7.723 -4.537 1.00 0.00 C ATOM 477 OG SER A 32 -1.039 8.433 -5.698 1.00 0.00 O ATOM 0 H SER A 32 0.698 6.934 -5.466 1.00 0.00 H new ATOM 0 HA SER A 32 -1.174 5.872 -3.575 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.520 7.825 -4.410 1.00 0.00 H new ATOM 0 HB3 SER A 32 -0.974 8.172 -3.661 1.00 0.00 H new ATOM 0 HG SER A 32 -1.295 9.375 -5.611 1.00 0.00 H new ATOM 483 N PHE A 33 -3.070 4.819 -4.824 1.00 0.00 N ATOM 484 CA PHE A 33 -4.096 3.964 -5.425 1.00 0.00 C ATOM 485 C PHE A 33 -5.446 4.179 -4.721 1.00 0.00 C ATOM 486 O PHE A 33 -5.575 5.049 -3.859 1.00 0.00 O ATOM 487 CB PHE A 33 -3.658 2.488 -5.422 1.00 0.00 C ATOM 488 CG PHE A 33 -3.938 1.733 -4.135 1.00 0.00 C ATOM 489 CD1 PHE A 33 -3.260 2.069 -2.953 1.00 0.00 C ATOM 490 CD2 PHE A 33 -4.878 0.689 -4.114 1.00 0.00 C ATOM 491 CE1 PHE A 33 -3.542 1.399 -1.753 1.00 0.00 C ATOM 492 CE2 PHE A 33 -5.161 0.015 -2.915 1.00 0.00 C ATOM 493 CZ PHE A 33 -4.490 0.372 -1.733 1.00 0.00 C ATOM 0 H PHE A 33 -3.224 4.951 -3.824 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.225 4.246 -6.470 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.160 1.975 -6.242 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.588 2.443 -5.626 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.515 2.850 -2.967 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -5.385 0.404 -5.024 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.027 1.677 -0.845 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.894 -0.778 -2.901 1.00 0.00 H new ATOM 0 HZ PHE A 33 -4.706 -0.146 -0.811 1.00 0.00 H new ATOM 503 N THR A 34 -6.481 3.453 -5.138 1.00 0.00 N ATOM 504 CA THR A 34 -7.833 3.538 -4.582 1.00 0.00 C ATOM 505 C THR A 34 -8.074 2.367 -3.627 1.00 0.00 C ATOM 506 O THR A 34 -7.855 1.216 -4.009 1.00 0.00 O ATOM 507 CB THR A 34 -8.862 3.596 -5.725 1.00 0.00 C ATOM 508 OG1 THR A 34 -8.550 2.696 -6.774 1.00 0.00 O ATOM 509 CG2 THR A 34 -8.944 5.006 -6.320 1.00 0.00 C ATOM 0 H THR A 34 -6.402 2.771 -5.892 1.00 0.00 H new ATOM 0 HA THR A 34 -7.946 4.454 -4.001 1.00 0.00 H new ATOM 0 HB THR A 34 -9.818 3.313 -5.284 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.229 2.765 -7.477 1.00 0.00 H new ATOM 0 HG21 THR A 34 -9.678 5.019 -7.125 1.00 0.00 H new ATOM 0 HG22 THR A 34 -9.243 5.711 -5.545 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.969 5.292 -6.714 1.00 0.00 H new ATOM 517 N TYR A 35 -8.484 2.640 -2.379 1.00 0.00 N ATOM 518 CA TYR A 35 -8.744 1.613 -1.371 1.00 0.00 C ATOM 519 C TYR A 35 -10.180 1.723 -0.831 1.00 0.00 C ATOM 520 O TYR A 35 -10.919 2.639 -1.204 1.00 0.00 O ATOM 521 CB TYR A 35 -7.685 1.728 -0.272 1.00 0.00 C ATOM 522 CG TYR A 35 -7.565 0.589 0.724 1.00 0.00 C ATOM 523 CD1 TYR A 35 -7.056 -0.662 0.327 1.00 0.00 C ATOM 524 CD2 TYR A 35 -7.826 0.830 2.085 1.00 0.00 C ATOM 525 CE1 TYR A 35 -6.750 -1.641 1.287 1.00 0.00 C ATOM 526 CE2 TYR A 35 -7.541 -0.150 3.051 1.00 0.00 C ATOM 527 CZ TYR A 35 -6.970 -1.380 2.657 1.00 0.00 C ATOM 528 OH TYR A 35 -6.577 -2.291 3.585 1.00 0.00 O ATOM 0 H TYR A 35 -8.644 3.590 -2.043 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.669 0.620 -1.815 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.716 1.853 -0.754 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.883 2.642 0.288 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -6.900 -0.870 -0.721 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -8.249 1.776 2.390 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -6.346 -2.594 0.977 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.758 0.037 4.092 1.00 0.00 H new ATOM 0 HH TYR A 35 -6.799 -1.962 4.481 1.00 0.00 H new ATOM 538 N SER A 36 -10.579 0.802 0.051 1.00 0.00 N ATOM 539 CA SER A 36 -11.900 0.753 0.672 1.00 0.00 C ATOM 540 C SER A 36 -11.750 0.625 2.195 1.00 0.00 C ATOM 541 O SER A 36 -10.640 0.445 2.699 1.00 0.00 O ATOM 542 CB SER A 36 -12.692 -0.392 0.035 1.00 0.00 C ATOM 543 OG SER A 36 -14.059 -0.370 0.385 1.00 0.00 O ATOM 0 H SER A 36 -9.969 0.046 0.361 1.00 0.00 H new ATOM 0 HA SER A 36 -12.459 1.673 0.499 1.00 0.00 H new ATOM 0 HB2 SER A 36 -12.598 -0.334 -1.049 1.00 0.00 H new ATOM 0 HB3 SER A 36 -12.258 -1.343 0.342 1.00 0.00 H new ATOM 0 HG SER A 36 -14.560 -0.960 -0.216 1.00 0.00 H new ATOM 549 N GLY A 37 -12.850 0.709 2.940 1.00 0.00 N ATOM 550 CA GLY A 37 -12.840 0.622 4.391 1.00 0.00 C ATOM 551 C GLY A 37 -12.602 -0.802 4.866 1.00 0.00 C ATOM 552 O GLY A 37 -11.530 -1.117 5.397 1.00 0.00 O ATOM 0 H GLY A 37 -13.781 0.841 2.545 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.062 1.274 4.789 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -13.790 0.983 4.784 1.00 0.00 H new ATOM 556 N CYS A 38 -13.611 -1.658 4.716 1.00 0.00 N ATOM 557 CA CYS A 38 -13.520 -3.051 5.137 1.00 0.00 C ATOM 558 C CYS A 38 -12.589 -3.856 4.226 1.00 0.00 C ATOM 559 O CYS A 38 -12.148 -3.376 3.176 1.00 0.00 O ATOM 560 CB CYS A 38 -14.921 -3.670 5.230 1.00 0.00 C ATOM 561 SG CYS A 38 -15.451 -4.757 3.877 1.00 0.00 S ATOM 0 H CYS A 38 -14.508 -1.406 4.302 1.00 0.00 H new ATOM 0 HA CYS A 38 -13.076 -3.083 6.132 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -14.976 -4.238 6.159 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -15.643 -2.857 5.310 1.00 0.00 H new ATOM 566 N GLY A 39 -12.333 -5.109 4.608 1.00 0.00 N ATOM 567 CA GLY A 39 -11.482 -6.012 3.855 1.00 0.00 C ATOM 568 C GLY A 39 -10.094 -5.419 3.736 1.00 0.00 C ATOM 569 O GLY A 39 -9.520 -5.004 4.746 1.00 0.00 O ATOM 0 H GLY A 39 -12.718 -5.522 5.458 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.433 -6.981 4.351 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -11.902 -6.182 2.864 1.00 0.00 H new ATOM 573 N GLY A 40 -9.552 -5.400 2.521 1.00 0.00 N ATOM 574 CA GLY A 40 -8.226 -4.875 2.252 1.00 0.00 C ATOM 575 C GLY A 40 -7.140 -5.748 2.884 1.00 0.00 C ATOM 576 O GLY A 40 -7.429 -6.700 3.614 1.00 0.00 O ATOM 0 H GLY A 40 -10.029 -5.753 1.691 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.068 -4.818 1.175 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.150 -3.859 2.640 1.00 0.00 H new ATOM 580 N ASN A 41 -5.878 -5.521 2.526 1.00 0.00 N ATOM 581 CA ASN A 41 -4.722 -6.244 3.068 1.00 0.00 C ATOM 582 C ASN A 41 -3.691 -5.189 3.462 1.00 0.00 C ATOM 583 O ASN A 41 -3.713 -4.052 2.981 1.00 0.00 O ATOM 584 CB ASN A 41 -4.117 -7.300 2.123 1.00 0.00 C ATOM 585 CG ASN A 41 -4.754 -8.690 2.141 1.00 0.00 C ATOM 586 OD1 ASN A 41 -4.124 -9.659 1.728 1.00 0.00 O ATOM 587 ND2 ASN A 41 -5.983 -8.863 2.605 1.00 0.00 N ATOM 0 H ASN A 41 -5.622 -4.815 1.836 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.053 -6.833 3.924 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.171 -6.915 1.105 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.060 -7.408 2.367 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.397 -9.795 2.617 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -6.515 -8.064 2.951 1.00 0.00 H new ATOM 594 N ALA A 42 -2.743 -5.595 4.303 1.00 0.00 N ATOM 595 CA ALA A 42 -1.700 -4.741 4.839 1.00 0.00 C ATOM 596 C ALA A 42 -0.787 -4.002 3.860 1.00 0.00 C ATOM 597 O ALA A 42 -0.068 -3.135 4.360 1.00 0.00 O ATOM 598 CB ALA A 42 -0.858 -5.543 5.822 1.00 0.00 C ATOM 0 H ALA A 42 -2.682 -6.557 4.637 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.255 -3.928 5.307 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.071 -4.908 6.230 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.490 -5.903 6.633 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.409 -6.392 5.308 1.00 0.00 H new ATOM 604 N ASN A 43 -0.745 -4.267 2.539 1.00 0.00 N ATOM 605 CA ASN A 43 0.172 -3.440 1.732 1.00 0.00 C ATOM 606 C ASN A 43 -0.267 -1.976 1.718 1.00 0.00 C ATOM 607 O ASN A 43 0.554 -1.100 1.436 1.00 0.00 O ATOM 608 CB ASN A 43 0.419 -3.922 0.294 1.00 0.00 C ATOM 609 CG ASN A 43 -0.452 -3.286 -0.791 1.00 0.00 C ATOM 610 OD1 ASN A 43 -1.637 -3.030 -0.610 1.00 0.00 O ATOM 611 ND2 ASN A 43 0.096 -3.051 -1.968 1.00 0.00 N ATOM 0 H ASN A 43 -1.281 -4.979 2.043 1.00 0.00 H new ATOM 0 HA ASN A 43 1.130 -3.547 2.241 1.00 0.00 H new ATOM 0 HB2 ASN A 43 1.464 -3.738 0.046 1.00 0.00 H new ATOM 0 HB3 ASN A 43 0.270 -5.001 0.264 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -0.466 -2.658 -2.723 1.00 0.00 H new ATOM 0 HD22 ASN A 43 1.082 -3.262 -2.123 1.00 0.00 H new ATOM 618 N ARG A 44 -1.539 -1.707 2.018 1.00 0.00 N ATOM 619 CA ARG A 44 -2.075 -0.373 2.036 1.00 0.00 C ATOM 620 C ARG A 44 -1.583 0.396 3.245 1.00 0.00 C ATOM 621 O ARG A 44 -1.768 -0.050 4.378 1.00 0.00 O ATOM 622 CB ARG A 44 -3.604 -0.465 2.082 1.00 0.00 C ATOM 623 CG ARG A 44 -4.246 0.925 2.190 1.00 0.00 C ATOM 624 CD ARG A 44 -4.564 1.371 3.630 1.00 0.00 C ATOM 625 NE ARG A 44 -5.458 2.533 3.618 1.00 0.00 N ATOM 626 CZ ARG A 44 -6.116 3.064 4.646 1.00 0.00 C ATOM 627 NH1 ARG A 44 -5.873 2.682 5.893 1.00 0.00 N ATOM 628 NH2 ARG A 44 -7.033 3.987 4.389 1.00 0.00 N ATOM 0 H ARG A 44 -2.221 -2.427 2.256 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.745 0.154 1.141 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -3.967 -0.966 1.185 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.908 -1.075 2.933 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.578 1.656 1.736 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.168 0.932 1.609 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.030 0.551 4.177 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.641 1.620 4.153 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.592 2.988 2.715 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.169 1.967 6.080 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -6.390 3.103 6.665 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -7.216 4.270 3.426 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.555 4.414 5.154 1.00 0.00 H new ATOM 642 N PHE A 45 -1.003 1.560 2.988 1.00 0.00 N ATOM 643 CA PHE A 45 -0.530 2.501 3.990 1.00 0.00 C ATOM 644 C PHE A 45 -1.184 3.853 3.632 1.00 0.00 C ATOM 645 O PHE A 45 -2.121 3.905 2.823 1.00 0.00 O ATOM 646 CB PHE A 45 0.983 2.410 4.273 1.00 0.00 C ATOM 647 CG PHE A 45 1.349 1.431 5.372 1.00 0.00 C ATOM 648 CD1 PHE A 45 1.210 0.046 5.168 1.00 0.00 C ATOM 649 CD2 PHE A 45 1.826 1.906 6.610 1.00 0.00 C ATOM 650 CE1 PHE A 45 1.504 -0.853 6.203 1.00 0.00 C ATOM 651 CE2 PHE A 45 2.158 1.000 7.631 1.00 0.00 C ATOM 652 CZ PHE A 45 1.999 -0.380 7.426 1.00 0.00 C ATOM 0 H PHE A 45 -0.843 1.887 2.035 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.850 2.268 5.006 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.496 2.120 3.356 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.351 3.399 4.545 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.876 -0.326 4.211 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.936 2.968 6.774 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.349 -1.912 6.058 1.00 0.00 H new ATOM 0 HE2 PHE A 45 2.536 1.365 8.575 1.00 0.00 H new ATOM 0 HZ PHE A 45 2.258 -1.076 8.210 1.00 0.00 H new ATOM 662 N ARG A 46 -0.781 4.939 4.293 1.00 0.00 N ATOM 663 CA ARG A 46 -1.352 6.281 4.138 1.00 0.00 C ATOM 664 C ARG A 46 -0.426 7.342 3.568 1.00 0.00 C ATOM 665 O ARG A 46 -0.870 8.473 3.370 1.00 0.00 O ATOM 666 CB ARG A 46 -1.922 6.707 5.508 1.00 0.00 C ATOM 667 CG ARG A 46 -1.097 6.278 6.742 1.00 0.00 C ATOM 668 CD ARG A 46 0.394 6.616 6.710 1.00 0.00 C ATOM 669 NE ARG A 46 0.609 8.068 6.665 1.00 0.00 N ATOM 670 CZ ARG A 46 1.030 8.816 7.690 1.00 0.00 C ATOM 671 NH1 ARG A 46 1.283 8.287 8.879 1.00 0.00 N ATOM 672 NH2 ARG A 46 1.206 10.114 7.516 1.00 0.00 N ATOM 0 H ARG A 46 -0.023 4.909 4.974 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.128 6.208 3.376 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.019 7.793 5.519 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.927 6.297 5.606 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.535 6.744 7.625 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.201 5.200 6.865 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.883 6.201 7.591 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.857 6.150 5.840 1.00 0.00 H new ATOM 0 HE ARG A 46 0.422 8.543 5.782 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.157 7.286 9.029 1.00 0.00 H new ATOM 0 HH12 ARG A 46 1.603 8.881 9.644 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.021 10.536 6.606 1.00 0.00 H new ATOM 0 HH22 ARG A 46 1.527 10.694 8.292 1.00 0.00 H new ATOM 686 N THR A 47 0.862 7.059 3.424 1.00 0.00 N ATOM 687 CA THR A 47 1.795 8.015 2.850 1.00 0.00 C ATOM 688 C THR A 47 3.027 7.312 2.313 1.00 0.00 C ATOM 689 O THR A 47 3.494 6.312 2.877 1.00 0.00 O ATOM 690 CB THR A 47 2.176 9.158 3.814 1.00 0.00 C ATOM 691 OG1 THR A 47 2.814 10.175 3.070 1.00 0.00 O ATOM 692 CG2 THR A 47 3.136 8.691 4.907 1.00 0.00 C ATOM 0 H THR A 47 1.284 6.172 3.698 1.00 0.00 H new ATOM 0 HA THR A 47 1.274 8.490 2.019 1.00 0.00 H new ATOM 0 HB THR A 47 1.264 9.515 4.292 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.062 10.911 3.668 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.377 9.528 5.562 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.666 7.898 5.489 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.051 8.313 4.451 1.00 0.00 H new ATOM 700 N ILE A 48 3.577 7.863 1.236 1.00 0.00 N ATOM 701 CA ILE A 48 4.778 7.325 0.635 1.00 0.00 C ATOM 702 C ILE A 48 5.931 7.411 1.632 1.00 0.00 C ATOM 703 O ILE A 48 6.834 6.595 1.544 1.00 0.00 O ATOM 704 CB ILE A 48 5.078 8.037 -0.690 1.00 0.00 C ATOM 705 CG1 ILE A 48 6.325 7.418 -1.346 1.00 0.00 C ATOM 706 CG2 ILE A 48 5.187 9.569 -0.554 1.00 0.00 C ATOM 707 CD1 ILE A 48 6.439 7.794 -2.828 1.00 0.00 C ATOM 0 H ILE A 48 3.203 8.686 0.764 1.00 0.00 H new ATOM 0 HA ILE A 48 4.636 6.272 0.394 1.00 0.00 H new ATOM 0 HB ILE A 48 4.222 7.878 -1.346 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.217 7.753 -0.817 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.285 6.333 -1.249 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.400 10.007 -1.529 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.246 9.968 -0.175 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.992 9.816 0.138 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.333 7.336 -3.252 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.559 7.436 -3.363 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.506 8.878 -2.924 1.00 0.00 H new ATOM 719 N ASP A 49 5.908 8.343 2.589 1.00 0.00 N ATOM 720 CA ASP A 49 6.987 8.457 3.566 1.00 0.00 C ATOM 721 C ASP A 49 7.058 7.227 4.465 1.00 0.00 C ATOM 722 O ASP A 49 8.141 6.723 4.731 1.00 0.00 O ATOM 723 CB ASP A 49 6.848 9.721 4.414 1.00 0.00 C ATOM 724 CG ASP A 49 7.948 9.786 5.476 1.00 0.00 C ATOM 725 OD1 ASP A 49 9.113 10.059 5.117 1.00 0.00 O ATOM 726 OD2 ASP A 49 7.629 9.639 6.678 1.00 0.00 O ATOM 0 H ASP A 49 5.158 9.024 2.705 1.00 0.00 H new ATOM 0 HA ASP A 49 7.917 8.525 3.002 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.902 10.602 3.774 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.870 9.736 4.895 1.00 0.00 H new ATOM 731 N GLU A 50 5.910 6.732 4.926 1.00 0.00 N ATOM 732 CA GLU A 50 5.811 5.584 5.801 1.00 0.00 C ATOM 733 C GLU A 50 6.100 4.334 5.001 1.00 0.00 C ATOM 734 O GLU A 50 6.780 3.437 5.495 1.00 0.00 O ATOM 735 CB GLU A 50 4.394 5.493 6.382 1.00 0.00 C ATOM 736 CG GLU A 50 4.143 6.522 7.494 1.00 0.00 C ATOM 737 CD GLU A 50 4.575 5.999 8.863 1.00 0.00 C ATOM 738 OE1 GLU A 50 5.751 5.601 9.008 1.00 0.00 O ATOM 739 OE2 GLU A 50 3.689 5.918 9.750 1.00 0.00 O ATOM 0 H GLU A 50 5.004 7.136 4.690 1.00 0.00 H new ATOM 0 HA GLU A 50 6.528 5.684 6.616 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.668 5.643 5.583 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.231 4.490 6.777 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.686 7.440 7.268 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.083 6.777 7.521 1.00 0.00 H new ATOM 746 N CYS A 51 5.562 4.277 3.780 1.00 0.00 N ATOM 747 CA CYS A 51 5.733 3.143 2.904 1.00 0.00 C ATOM 748 C CYS A 51 7.183 2.992 2.457 1.00 0.00 C ATOM 749 O CYS A 51 7.735 1.892 2.488 1.00 0.00 O ATOM 750 CB CYS A 51 4.778 3.287 1.722 1.00 0.00 C ATOM 751 SG CYS A 51 5.054 2.130 0.366 1.00 0.00 S ATOM 0 H CYS A 51 4.995 5.025 3.381 1.00 0.00 H new ATOM 0 HA CYS A 51 5.491 2.228 3.444 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.757 3.162 2.083 1.00 0.00 H new ATOM 0 HB3 CYS A 51 4.857 4.302 1.334 1.00 0.00 H new ATOM 756 N ASN A 52 7.810 4.089 2.031 1.00 0.00 N ATOM 757 CA ASN A 52 9.182 4.047 1.572 1.00 0.00 C ATOM 758 C ASN A 52 10.079 3.717 2.750 1.00 0.00 C ATOM 759 O ASN A 52 10.780 2.708 2.720 1.00 0.00 O ATOM 760 CB ASN A 52 9.594 5.261 0.713 1.00 0.00 C ATOM 761 CG ASN A 52 10.177 6.452 1.457 1.00 0.00 C ATOM 762 OD1 ASN A 52 11.234 6.366 2.071 1.00 0.00 O ATOM 763 ND2 ASN A 52 9.517 7.587 1.382 1.00 0.00 N ATOM 0 H ASN A 52 7.382 5.014 1.998 1.00 0.00 H new ATOM 0 HA ASN A 52 9.303 3.241 0.848 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.326 4.926 -0.022 1.00 0.00 H new ATOM 0 HB3 ASN A 52 8.718 5.600 0.159 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.883 8.421 1.841 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.639 7.633 0.865 1.00 0.00 H new ATOM 770 N ARG A 53 9.950 4.458 3.847 1.00 0.00 N ATOM 771 CA ARG A 53 10.783 4.189 5.020 1.00 0.00 C ATOM 772 C ARG A 53 10.628 2.758 5.559 1.00 0.00 C ATOM 773 O ARG A 53 11.591 2.230 6.117 1.00 0.00 O ATOM 774 CB ARG A 53 10.627 5.286 6.088 1.00 0.00 C ATOM 775 CG ARG A 53 9.435 5.130 7.039 1.00 0.00 C ATOM 776 CD ARG A 53 9.146 6.432 7.803 1.00 0.00 C ATOM 777 NE ARG A 53 10.195 6.733 8.793 1.00 0.00 N ATOM 778 CZ ARG A 53 10.210 6.355 10.076 1.00 0.00 C ATOM 779 NH1 ARG A 53 9.206 5.657 10.601 1.00 0.00 N ATOM 780 NH2 ARG A 53 11.250 6.690 10.826 1.00 0.00 N ATOM 0 H ARG A 53 9.294 5.232 3.951 1.00 0.00 H new ATOM 0 HA ARG A 53 11.822 4.235 4.692 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.540 5.319 6.683 1.00 0.00 H new ATOM 0 HB3 ARG A 53 10.541 6.248 5.583 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.552 4.837 6.471 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.638 4.328 7.749 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.067 7.258 7.096 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.183 6.351 8.308 1.00 0.00 H new ATOM 0 HE ARG A 53 10.989 7.285 8.468 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.406 5.401 10.023 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.237 5.378 11.582 1.00 0.00 H new ATOM 0 HH21 ARG A 53 12.018 7.226 10.422 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.282 6.412 11.807 1.00 0.00 H new ATOM 794 N THR A 54 9.480 2.088 5.378 1.00 0.00 N ATOM 795 CA THR A 54 9.287 0.728 5.875 1.00 0.00 C ATOM 796 C THR A 54 9.505 -0.392 4.845 1.00 0.00 C ATOM 797 O THR A 54 9.734 -1.516 5.291 1.00 0.00 O ATOM 798 CB THR A 54 7.928 0.601 6.590 1.00 0.00 C ATOM 799 OG1 THR A 54 7.950 -0.531 7.445 1.00 0.00 O ATOM 800 CG2 THR A 54 6.712 0.484 5.659 1.00 0.00 C ATOM 0 H THR A 54 8.672 2.472 4.889 1.00 0.00 H new ATOM 0 HA THR A 54 10.089 0.570 6.596 1.00 0.00 H new ATOM 0 HB THR A 54 7.803 1.533 7.141 1.00 0.00 H new ATOM 0 HG1 THR A 54 8.569 -1.200 7.086 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.804 0.399 6.256 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.650 1.371 5.028 1.00 0.00 H new ATOM 0 HG23 THR A 54 6.818 -0.401 5.032 1.00 0.00 H new ATOM 808 N CYS A 55 9.471 -0.153 3.528 1.00 0.00 N ATOM 809 CA CYS A 55 9.630 -1.208 2.524 1.00 0.00 C ATOM 810 C CYS A 55 10.551 -0.857 1.357 1.00 0.00 C ATOM 811 O CYS A 55 10.893 -1.750 0.582 1.00 0.00 O ATOM 812 CB CYS A 55 8.234 -1.572 1.987 1.00 0.00 C ATOM 813 SG CYS A 55 6.999 -1.914 3.270 1.00 0.00 S ATOM 0 H CYS A 55 9.333 0.776 3.131 1.00 0.00 H new ATOM 0 HA CYS A 55 10.114 -2.046 3.026 1.00 0.00 H new ATOM 0 HB2 CYS A 55 7.874 -0.754 1.363 1.00 0.00 H new ATOM 0 HB3 CYS A 55 8.323 -2.448 1.344 1.00 0.00 H new ATOM 818 N VAL A 56 10.915 0.404 1.158 1.00 0.00 N ATOM 819 CA VAL A 56 11.795 0.812 0.065 1.00 0.00 C ATOM 820 C VAL A 56 13.241 0.636 0.532 1.00 0.00 C ATOM 821 O VAL A 56 13.938 1.587 0.883 1.00 0.00 O ATOM 822 CB VAL A 56 11.415 2.208 -0.466 1.00 0.00 C ATOM 823 CG1 VAL A 56 12.392 2.818 -1.465 1.00 0.00 C ATOM 824 CG2 VAL A 56 10.052 2.133 -1.176 1.00 0.00 C ATOM 0 H VAL A 56 10.609 1.176 1.750 1.00 0.00 H new ATOM 0 HA VAL A 56 11.675 0.178 -0.813 1.00 0.00 H new ATOM 0 HB VAL A 56 11.413 2.844 0.419 1.00 0.00 H new ATOM 0 HG11 VAL A 56 12.031 3.799 -1.775 1.00 0.00 H new ATOM 0 HG12 VAL A 56 13.371 2.923 -0.998 1.00 0.00 H new ATOM 0 HG13 VAL A 56 12.473 2.169 -2.337 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.783 3.120 -1.552 1.00 0.00 H new ATOM 0 HG22 VAL A 56 10.114 1.432 -2.009 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.293 1.794 -0.471 1.00 0.00 H new ATOM 834 N GLY A 57 13.691 -0.618 0.486 1.00 0.00 N ATOM 835 CA GLY A 57 15.037 -1.016 0.856 1.00 0.00 C ATOM 836 C GLY A 57 15.231 -1.257 2.340 1.00 0.00 C ATOM 837 O GLY A 57 16.307 -1.802 2.678 1.00 0.00 O ATOM 0 H GLY A 57 13.110 -1.400 0.182 1.00 0.00 H new ATOM 0 HA2 GLY A 57 15.296 -1.926 0.315 1.00 0.00 H new ATOM 0 HA3 GLY A 57 15.734 -0.243 0.531 1.00 0.00 H new TER 841 GLY A 57