USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=15 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 Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot -53:sc= 0.431 USER MOD Single : A 13 SER OG : rot -103:sc= 0.0836 USER MOD Single : A 20 SER OG : rot 66:sc= 0.751 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 50:sc= -0.311 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 25 GLN : amide:sc= -2.52! C(o=-2.5!,f=-4!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -42:sc= 0.0457 USER MOD Single : A 28 ASN : amide:sc= -0.847 X(o=-0.85,f=-0.67) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0735 USER MOD Single : A 31 HIS : no HD1:sc= -0.0369 X(o=-0.037,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.00745 USER MOD Single : A 35 TYR OH : rot -106:sc= -0.0113 USER MOD Single : A 36 SER OG : rot -154:sc= 1.24 USER MOD Single : A 41 ASN : amide:sc= 0.9 K(o=0.9,f=-0.043) USER MOD Single : A 43 ASN : amide:sc= 0.214 K(o=0.21,f=-1.3) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.966 X(o=-0.97,f=-1.1) USER MOD Single : A 54 THR OG1 : rot -38:sc= 0.00336 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 12.017 -5.408 2.204 1.00 0.00 N ATOM 2 CA ARG A 1 10.572 -5.185 2.302 1.00 0.00 C ATOM 3 C ARG A 1 9.889 -6.267 3.135 1.00 0.00 C ATOM 4 O ARG A 1 10.076 -7.451 2.849 1.00 0.00 O ATOM 5 CB ARG A 1 9.878 -5.062 0.942 1.00 0.00 C ATOM 6 CG ARG A 1 10.234 -6.087 -0.154 1.00 0.00 C ATOM 7 CD ARG A 1 11.397 -5.647 -1.060 1.00 0.00 C ATOM 8 NE ARG A 1 12.684 -6.300 -0.772 1.00 0.00 N ATOM 9 CZ ARG A 1 13.082 -7.491 -1.244 1.00 0.00 C ATOM 10 NH1 ARG A 1 12.211 -8.302 -1.838 1.00 0.00 N ATOM 11 NH2 ARG A 1 14.357 -7.846 -1.115 1.00 0.00 N ATOM 0 H1 ARG A 1 12.447 -4.654 1.631 1.00 0.00 H new ATOM 0 H2 ARG A 1 12.435 -5.400 3.156 1.00 0.00 H new ATOM 0 H3 ARG A 1 12.197 -6.329 1.755 1.00 0.00 H new ATOM 0 HA ARG A 1 10.467 -4.224 2.806 1.00 0.00 H new ATOM 0 HB2 ARG A 1 8.803 -5.116 1.111 1.00 0.00 H new ATOM 0 HB3 ARG A 1 10.090 -4.068 0.549 1.00 0.00 H new ATOM 0 HG2 ARG A 1 10.492 -7.035 0.318 1.00 0.00 H new ATOM 0 HG3 ARG A 1 9.353 -6.267 -0.770 1.00 0.00 H new ATOM 0 HD2 ARG A 1 11.128 -5.848 -2.097 1.00 0.00 H new ATOM 0 HD3 ARG A 1 11.524 -4.568 -0.967 1.00 0.00 H new ATOM 0 HE ARG A 1 13.331 -5.803 -0.159 1.00 0.00 H new ATOM 0 HH11 ARG A 1 11.236 -8.019 -1.936 1.00 0.00 H new ATOM 0 HH12 ARG A 1 12.518 -9.207 -2.195 1.00 0.00 H new ATOM 0 HH21 ARG A 1 15.019 -7.216 -0.662 1.00 0.00 H new ATOM 0 HH22 ARG A 1 14.673 -8.749 -1.469 1.00 0.00 H new ATOM 25 N PRO A 2 9.121 -5.886 4.169 1.00 0.00 N ATOM 26 CA PRO A 2 8.398 -6.830 5.005 1.00 0.00 C ATOM 27 C PRO A 2 7.325 -7.463 4.123 1.00 0.00 C ATOM 28 O PRO A 2 6.688 -6.784 3.309 1.00 0.00 O ATOM 29 CB PRO A 2 7.816 -6.005 6.153 1.00 0.00 C ATOM 30 CG PRO A 2 7.677 -4.608 5.561 1.00 0.00 C ATOM 31 CD PRO A 2 8.847 -4.523 4.584 1.00 0.00 C ATOM 0 HA PRO A 2 9.006 -7.633 5.422 1.00 0.00 H new ATOM 0 HB2 PRO A 2 6.854 -6.398 6.481 1.00 0.00 H new ATOM 0 HB3 PRO A 2 8.474 -6.008 7.022 1.00 0.00 H new ATOM 0 HG2 PRO A 2 6.720 -4.479 5.055 1.00 0.00 H new ATOM 0 HG3 PRO A 2 7.738 -3.837 6.330 1.00 0.00 H new ATOM 0 HD2 PRO A 2 8.596 -3.897 3.728 1.00 0.00 H new ATOM 0 HD3 PRO A 2 9.721 -4.077 5.059 1.00 0.00 H new ATOM 39 N ARG A 3 7.074 -8.753 4.316 1.00 0.00 N ATOM 40 CA ARG A 3 6.106 -9.512 3.526 1.00 0.00 C ATOM 41 C ARG A 3 4.649 -9.031 3.609 1.00 0.00 C ATOM 42 O ARG A 3 3.778 -9.578 2.937 1.00 0.00 O ATOM 43 CB ARG A 3 6.324 -11.013 3.758 1.00 0.00 C ATOM 44 CG ARG A 3 5.401 -11.703 4.756 1.00 0.00 C ATOM 45 CD ARG A 3 5.360 -11.115 6.177 1.00 0.00 C ATOM 46 NE ARG A 3 6.534 -11.466 6.999 1.00 0.00 N ATOM 47 CZ ARG A 3 6.840 -12.689 7.458 1.00 0.00 C ATOM 48 NH1 ARG A 3 6.093 -13.737 7.134 1.00 0.00 N ATOM 49 NH2 ARG A 3 7.881 -12.873 8.262 1.00 0.00 N ATOM 0 H ARG A 3 7.541 -9.309 5.033 1.00 0.00 H new ATOM 0 HA ARG A 3 6.309 -9.306 2.475 1.00 0.00 H new ATOM 0 HB2 ARG A 3 6.225 -11.521 2.799 1.00 0.00 H new ATOM 0 HB3 ARG A 3 7.352 -11.158 4.091 1.00 0.00 H new ATOM 0 HG2 ARG A 3 4.389 -11.687 4.351 1.00 0.00 H new ATOM 0 HG3 ARG A 3 5.699 -12.749 4.829 1.00 0.00 H new ATOM 0 HD2 ARG A 3 5.286 -10.030 6.109 1.00 0.00 H new ATOM 0 HD3 ARG A 3 4.458 -11.465 6.679 1.00 0.00 H new ATOM 0 HE ARG A 3 7.172 -10.708 7.241 1.00 0.00 H new ATOM 0 HH11 ARG A 3 5.279 -13.616 6.531 1.00 0.00 H new ATOM 0 HH12 ARG A 3 6.333 -14.663 7.487 1.00 0.00 H new ATOM 0 HH21 ARG A 3 8.459 -12.079 8.538 1.00 0.00 H new ATOM 0 HH22 ARG A 3 8.102 -13.808 8.604 1.00 0.00 H new ATOM 63 N PHE A 4 4.337 -8.059 4.465 1.00 0.00 N ATOM 64 CA PHE A 4 2.983 -7.523 4.564 1.00 0.00 C ATOM 65 C PHE A 4 2.788 -6.416 3.519 1.00 0.00 C ATOM 66 O PHE A 4 1.667 -6.122 3.114 1.00 0.00 O ATOM 67 CB PHE A 4 2.706 -7.038 5.991 1.00 0.00 C ATOM 68 CG PHE A 4 3.262 -5.671 6.339 1.00 0.00 C ATOM 69 CD1 PHE A 4 2.620 -4.513 5.862 1.00 0.00 C ATOM 70 CD2 PHE A 4 4.409 -5.548 7.139 1.00 0.00 C ATOM 71 CE1 PHE A 4 3.128 -3.243 6.160 1.00 0.00 C ATOM 72 CE2 PHE A 4 4.949 -4.275 7.396 1.00 0.00 C ATOM 73 CZ PHE A 4 4.316 -3.122 6.900 1.00 0.00 C ATOM 0 H PHE A 4 5.007 -7.626 5.101 1.00 0.00 H new ATOM 0 HA PHE A 4 2.257 -8.308 4.350 1.00 0.00 H new ATOM 0 HB2 PHE A 4 1.627 -7.022 6.147 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.118 -7.766 6.689 1.00 0.00 H new ATOM 0 HD1 PHE A 4 1.728 -4.605 5.261 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.875 -6.428 7.556 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.608 -2.359 5.822 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.855 -4.183 7.977 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.741 -2.147 7.087 1.00 0.00 H new ATOM 83 N CYS A 5 3.882 -5.792 3.082 1.00 0.00 N ATOM 84 CA CYS A 5 3.895 -4.718 2.110 1.00 0.00 C ATOM 85 C CYS A 5 3.635 -5.217 0.691 1.00 0.00 C ATOM 86 O CYS A 5 3.185 -4.463 -0.164 1.00 0.00 O ATOM 87 CB CYS A 5 5.305 -4.118 2.165 1.00 0.00 C ATOM 88 SG CYS A 5 5.378 -2.335 2.005 1.00 0.00 S ATOM 0 H CYS A 5 4.815 -6.036 3.413 1.00 0.00 H new ATOM 0 HA CYS A 5 3.110 -4.000 2.346 1.00 0.00 H new ATOM 0 HB2 CYS A 5 5.767 -4.402 3.110 1.00 0.00 H new ATOM 0 HB3 CYS A 5 5.904 -4.564 1.371 1.00 0.00 H new ATOM 93 N GLU A 6 3.923 -6.491 0.437 1.00 0.00 N ATOM 94 CA GLU A 6 3.789 -7.108 -0.883 1.00 0.00 C ATOM 95 C GLU A 6 2.430 -7.759 -1.139 1.00 0.00 C ATOM 96 O GLU A 6 2.274 -8.520 -2.099 1.00 0.00 O ATOM 97 CB GLU A 6 4.955 -8.091 -1.085 1.00 0.00 C ATOM 98 CG GLU A 6 4.877 -9.324 -0.177 1.00 0.00 C ATOM 99 CD GLU A 6 6.012 -10.326 -0.399 1.00 0.00 C ATOM 100 OE1 GLU A 6 7.013 -10.010 -1.083 1.00 0.00 O ATOM 101 OE2 GLU A 6 5.911 -11.442 0.156 1.00 0.00 O ATOM 0 H GLU A 6 4.261 -7.135 1.152 1.00 0.00 H new ATOM 0 HA GLU A 6 3.838 -6.314 -1.628 1.00 0.00 H new ATOM 0 HB2 GLU A 6 4.970 -8.416 -2.125 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.895 -7.571 -0.899 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.890 -8.999 0.863 1.00 0.00 H new ATOM 0 HG3 GLU A 6 3.924 -9.826 -0.343 1.00 0.00 H new ATOM 108 N LEU A 7 1.450 -7.542 -0.267 1.00 0.00 N ATOM 109 CA LEU A 7 0.132 -8.134 -0.432 1.00 0.00 C ATOM 110 C LEU A 7 -0.633 -7.379 -1.521 1.00 0.00 C ATOM 111 O LEU A 7 -0.169 -6.362 -2.039 1.00 0.00 O ATOM 112 CB LEU A 7 -0.614 -8.115 0.913 1.00 0.00 C ATOM 113 CG LEU A 7 0.123 -8.816 2.070 1.00 0.00 C ATOM 114 CD1 LEU A 7 -0.721 -8.742 3.340 1.00 0.00 C ATOM 115 CD2 LEU A 7 0.471 -10.272 1.803 1.00 0.00 C ATOM 0 H LEU A 7 1.547 -6.958 0.563 1.00 0.00 H new ATOM 0 HA LEU A 7 0.222 -9.174 -0.747 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.800 -7.079 1.194 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.586 -8.589 0.780 1.00 0.00 H new ATOM 0 HG LEU A 7 1.067 -8.282 2.181 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.196 -9.239 4.155 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.893 -7.698 3.602 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.678 -9.236 3.170 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.987 -10.687 2.668 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.443 -10.837 1.620 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.119 -10.337 0.929 1.00 0.00 H new ATOM 127 N ALA A 8 -1.749 -7.951 -1.953 1.00 0.00 N ATOM 128 CA ALA A 8 -2.634 -7.368 -2.951 1.00 0.00 C ATOM 129 C ALA A 8 -3.770 -6.759 -2.134 1.00 0.00 C ATOM 130 O ALA A 8 -4.370 -7.487 -1.334 1.00 0.00 O ATOM 131 CB ALA A 8 -3.144 -8.412 -3.936 1.00 0.00 C ATOM 0 H ALA A 8 -2.071 -8.856 -1.610 1.00 0.00 H new ATOM 0 HA ALA A 8 -2.126 -6.628 -3.570 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -3.801 -7.935 -4.664 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -2.299 -8.868 -4.453 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.697 -9.181 -3.397 1.00 0.00 H new ATOM 137 N PRO A 9 -4.087 -5.470 -2.264 1.00 0.00 N ATOM 138 CA PRO A 9 -5.143 -4.858 -1.488 1.00 0.00 C ATOM 139 C PRO A 9 -6.527 -5.336 -1.942 1.00 0.00 C ATOM 140 O PRO A 9 -6.987 -4.962 -3.017 1.00 0.00 O ATOM 141 CB PRO A 9 -4.973 -3.356 -1.673 1.00 0.00 C ATOM 142 CG PRO A 9 -4.302 -3.236 -3.042 1.00 0.00 C ATOM 143 CD PRO A 9 -3.477 -4.515 -3.163 1.00 0.00 C ATOM 0 HA PRO A 9 -5.076 -5.135 -0.436 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.932 -2.838 -1.650 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.357 -2.922 -0.885 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -5.038 -3.159 -3.842 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.673 -2.348 -3.101 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.481 -4.886 -4.188 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.436 -4.335 -2.893 1.00 0.00 H new ATOM 151 N SER A 10 -7.220 -6.117 -1.112 1.00 0.00 N ATOM 152 CA SER A 10 -8.564 -6.646 -1.369 1.00 0.00 C ATOM 153 C SER A 10 -9.625 -5.530 -1.202 1.00 0.00 C ATOM 154 O SER A 10 -10.610 -5.701 -0.478 1.00 0.00 O ATOM 155 CB SER A 10 -8.799 -7.857 -0.442 1.00 0.00 C ATOM 156 OG SER A 10 -10.083 -8.427 -0.617 1.00 0.00 O ATOM 0 H SER A 10 -6.849 -6.410 -0.208 1.00 0.00 H new ATOM 0 HA SER A 10 -8.656 -6.991 -2.399 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.039 -8.613 -0.636 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.681 -7.546 0.596 1.00 0.00 H new ATOM 0 HG SER A 10 -10.766 -7.730 -0.524 1.00 0.00 H new ATOM 162 N ALA A 11 -9.412 -4.357 -1.803 1.00 0.00 N ATOM 163 CA ALA A 11 -10.292 -3.195 -1.739 1.00 0.00 C ATOM 164 C ALA A 11 -11.694 -3.446 -2.311 1.00 0.00 C ATOM 165 O ALA A 11 -12.592 -2.639 -2.073 1.00 0.00 O ATOM 166 CB ALA A 11 -9.629 -2.033 -2.485 1.00 0.00 C ATOM 0 H ALA A 11 -8.583 -4.187 -2.372 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.435 -2.960 -0.684 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.277 -1.158 -2.445 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -8.673 -1.799 -2.017 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.464 -2.315 -3.525 1.00 0.00 H new ATOM 172 N GLY A 12 -11.917 -4.555 -3.013 1.00 0.00 N ATOM 173 CA GLY A 12 -13.202 -4.901 -3.618 1.00 0.00 C ATOM 174 C GLY A 12 -14.256 -5.329 -2.596 1.00 0.00 C ATOM 175 O GLY A 12 -15.404 -5.577 -2.961 1.00 0.00 O ATOM 0 H GLY A 12 -11.193 -5.254 -3.181 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -13.575 -4.043 -4.177 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.053 -5.708 -4.335 1.00 0.00 H new ATOM 179 N SER A 13 -13.881 -5.387 -1.318 1.00 0.00 N ATOM 180 CA SER A 13 -14.710 -5.791 -0.202 1.00 0.00 C ATOM 181 C SER A 13 -16.016 -4.994 -0.064 1.00 0.00 C ATOM 182 O SER A 13 -17.063 -5.611 0.150 1.00 0.00 O ATOM 183 CB SER A 13 -13.825 -5.727 1.045 1.00 0.00 C ATOM 184 OG SER A 13 -14.273 -6.619 2.035 1.00 0.00 O ATOM 0 H SER A 13 -12.936 -5.138 -1.026 1.00 0.00 H new ATOM 0 HA SER A 13 -15.073 -6.806 -0.364 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.796 -5.966 0.776 1.00 0.00 H new ATOM 0 HB3 SER A 13 -13.824 -4.711 1.441 1.00 0.00 H new ATOM 0 HG SER A 13 -14.755 -6.122 2.729 1.00 0.00 H new ATOM 190 N CYS A 14 -15.999 -3.660 -0.155 1.00 0.00 N ATOM 191 CA CYS A 14 -17.200 -2.832 -0.028 1.00 0.00 C ATOM 192 C CYS A 14 -17.059 -1.567 -0.858 1.00 0.00 C ATOM 193 O CYS A 14 -15.933 -1.175 -1.192 1.00 0.00 O ATOM 194 CB CYS A 14 -17.434 -2.377 1.426 1.00 0.00 C ATOM 195 SG CYS A 14 -17.372 -3.651 2.707 1.00 0.00 S ATOM 0 H CYS A 14 -15.147 -3.123 -0.320 1.00 0.00 H new ATOM 0 HA CYS A 14 -18.033 -3.447 -0.368 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -16.689 -1.618 1.667 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -18.410 -1.894 1.476 1.00 0.00 H new ATOM 200 N PHE A 15 -18.187 -0.920 -1.180 1.00 0.00 N ATOM 201 CA PHE A 15 -18.127 0.321 -1.928 1.00 0.00 C ATOM 202 C PHE A 15 -18.078 1.414 -0.871 1.00 0.00 C ATOM 203 O PHE A 15 -19.066 1.699 -0.187 1.00 0.00 O ATOM 204 CB PHE A 15 -19.316 0.502 -2.884 1.00 0.00 C ATOM 205 CG PHE A 15 -19.494 1.936 -3.369 1.00 0.00 C ATOM 206 CD1 PHE A 15 -18.424 2.637 -3.954 1.00 0.00 C ATOM 207 CD2 PHE A 15 -20.731 2.584 -3.214 1.00 0.00 C ATOM 208 CE1 PHE A 15 -18.589 3.979 -4.343 1.00 0.00 C ATOM 209 CE2 PHE A 15 -20.921 3.899 -3.674 1.00 0.00 C ATOM 210 CZ PHE A 15 -19.839 4.606 -4.222 1.00 0.00 C ATOM 0 H PHE A 15 -19.126 -1.234 -0.937 1.00 0.00 H new ATOM 0 HA PHE A 15 -17.256 0.343 -2.583 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -19.181 -0.151 -3.747 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -20.228 0.181 -2.381 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -17.475 2.145 -4.105 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -21.548 2.065 -2.735 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -17.748 4.530 -4.737 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -21.894 4.363 -3.606 1.00 0.00 H new ATOM 0 HZ PHE A 15 -19.968 5.627 -4.549 1.00 0.00 H new ATOM 220 N ALA A 16 -16.873 1.945 -0.746 1.00 0.00 N ATOM 221 CA ALA A 16 -16.378 3.014 0.088 1.00 0.00 C ATOM 222 C ALA A 16 -15.243 3.611 -0.740 1.00 0.00 C ATOM 223 O ALA A 16 -14.655 2.892 -1.559 1.00 0.00 O ATOM 224 CB ALA A 16 -15.876 2.449 1.408 1.00 0.00 C ATOM 0 H ALA A 16 -16.112 1.575 -1.316 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.131 3.757 0.348 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -15.504 3.261 2.033 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.693 1.942 1.921 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -15.071 1.739 1.217 1.00 0.00 H new ATOM 230 N PHE A 17 -14.868 4.867 -0.522 1.00 0.00 N ATOM 231 CA PHE A 17 -13.806 5.494 -1.290 1.00 0.00 C ATOM 232 C PHE A 17 -12.825 6.193 -0.370 1.00 0.00 C ATOM 233 O PHE A 17 -13.151 7.231 0.212 1.00 0.00 O ATOM 234 CB PHE A 17 -14.423 6.436 -2.326 1.00 0.00 C ATOM 235 CG PHE A 17 -13.466 6.838 -3.428 1.00 0.00 C ATOM 236 CD1 PHE A 17 -12.946 5.869 -4.312 1.00 0.00 C ATOM 237 CD2 PHE A 17 -13.102 8.184 -3.584 1.00 0.00 C ATOM 238 CE1 PHE A 17 -12.040 6.241 -5.318 1.00 0.00 C ATOM 239 CE2 PHE A 17 -12.199 8.556 -4.592 1.00 0.00 C ATOM 240 CZ PHE A 17 -11.650 7.584 -5.445 1.00 0.00 C ATOM 0 H PHE A 17 -15.288 5.471 0.185 1.00 0.00 H new ATOM 0 HA PHE A 17 -13.235 4.737 -1.828 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -15.293 5.953 -2.771 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -14.780 7.334 -1.821 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -13.246 4.836 -4.214 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -13.517 8.935 -2.928 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -11.644 5.496 -5.992 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -11.925 9.594 -4.712 1.00 0.00 H new ATOM 0 HZ PHE A 17 -10.929 7.869 -6.197 1.00 0.00 H new ATOM 250 N VAL A 18 -11.658 5.594 -0.170 1.00 0.00 N ATOM 251 CA VAL A 18 -10.602 6.138 0.662 1.00 0.00 C ATOM 252 C VAL A 18 -9.300 5.915 -0.124 1.00 0.00 C ATOM 253 O VAL A 18 -8.676 4.859 0.020 1.00 0.00 O ATOM 254 CB VAL A 18 -10.662 5.527 2.086 1.00 0.00 C ATOM 255 CG1 VAL A 18 -11.785 6.195 2.895 1.00 0.00 C ATOM 256 CG2 VAL A 18 -10.933 4.014 2.139 1.00 0.00 C ATOM 0 H VAL A 18 -11.418 4.697 -0.593 1.00 0.00 H new ATOM 0 HA VAL A 18 -10.696 7.206 0.857 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.668 5.705 2.495 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.821 5.761 3.894 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.592 7.265 2.971 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.740 6.034 2.394 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.956 3.685 3.178 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -11.893 3.800 1.669 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.143 3.484 1.608 1.00 0.00 H new ATOM 266 N PRO A 19 -8.855 6.883 -0.953 1.00 0.00 N ATOM 267 CA PRO A 19 -7.634 6.745 -1.740 1.00 0.00 C ATOM 268 C PRO A 19 -6.469 6.552 -0.777 1.00 0.00 C ATOM 269 O PRO A 19 -6.188 7.426 0.050 1.00 0.00 O ATOM 270 CB PRO A 19 -7.525 8.003 -2.609 1.00 0.00 C ATOM 271 CG PRO A 19 -8.377 9.027 -1.865 1.00 0.00 C ATOM 272 CD PRO A 19 -9.471 8.174 -1.226 1.00 0.00 C ATOM 0 HA PRO A 19 -7.633 5.880 -2.403 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.491 8.335 -2.705 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.899 7.827 -3.618 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.797 9.565 -1.115 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.792 9.773 -2.542 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -9.840 8.633 -0.309 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.325 8.067 -1.895 1.00 0.00 H new ATOM 280 N SER A 20 -5.854 5.376 -0.821 1.00 0.00 N ATOM 281 CA SER A 20 -4.735 5.002 0.037 1.00 0.00 C ATOM 282 C SER A 20 -3.467 4.713 -0.796 1.00 0.00 C ATOM 283 O SER A 20 -3.492 4.816 -2.018 1.00 0.00 O ATOM 284 CB SER A 20 -5.187 3.938 1.041 1.00 0.00 C ATOM 285 OG SER A 20 -6.417 4.310 1.654 1.00 0.00 O ATOM 0 H SER A 20 -6.126 4.638 -1.470 1.00 0.00 H new ATOM 0 HA SER A 20 -4.414 5.834 0.664 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.303 2.980 0.534 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.421 3.804 1.805 1.00 0.00 H new ATOM 0 HG SER A 20 -7.130 4.311 0.982 1.00 0.00 H new ATOM 291 N TYR A 21 -2.346 4.324 -0.189 1.00 0.00 N ATOM 292 CA TYR A 21 -1.064 4.110 -0.879 1.00 0.00 C ATOM 293 C TYR A 21 -0.631 2.637 -0.964 1.00 0.00 C ATOM 294 O TYR A 21 -0.762 1.913 0.017 1.00 0.00 O ATOM 295 CB TYR A 21 -0.041 4.983 -0.142 1.00 0.00 C ATOM 296 CG TYR A 21 0.175 6.397 -0.687 1.00 0.00 C ATOM 297 CD1 TYR A 21 1.118 6.708 -1.702 1.00 0.00 C ATOM 298 CD2 TYR A 21 -0.585 7.441 -0.128 1.00 0.00 C ATOM 299 CE1 TYR A 21 1.269 8.024 -2.169 1.00 0.00 C ATOM 300 CE2 TYR A 21 -0.405 8.767 -0.554 1.00 0.00 C ATOM 301 CZ TYR A 21 0.519 9.064 -1.580 1.00 0.00 C ATOM 302 OH TYR A 21 0.686 10.351 -1.979 1.00 0.00 O ATOM 0 H TYR A 21 -2.297 4.144 0.814 1.00 0.00 H new ATOM 0 HA TYR A 21 -1.155 4.395 -1.927 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.350 5.063 0.900 1.00 0.00 H new ATOM 0 HB3 TYR A 21 0.918 4.465 -0.151 1.00 0.00 H new ATOM 0 HD1 TYR A 21 1.728 5.921 -2.121 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.315 7.220 0.637 1.00 0.00 H new ATOM 0 HE1 TYR A 21 1.955 8.239 -2.975 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -0.975 9.562 -0.096 1.00 0.00 H new ATOM 0 HH TYR A 21 0.087 10.933 -1.466 1.00 0.00 H new ATOM 312 N TYR A 22 -0.129 2.215 -2.133 1.00 0.00 N ATOM 313 CA TYR A 22 0.327 0.877 -2.534 1.00 0.00 C ATOM 314 C TYR A 22 1.850 0.765 -2.656 1.00 0.00 C ATOM 315 O TYR A 22 2.481 1.661 -3.216 1.00 0.00 O ATOM 316 CB TYR A 22 -0.224 0.649 -3.954 1.00 0.00 C ATOM 317 CG TYR A 22 -0.194 -0.778 -4.453 1.00 0.00 C ATOM 318 CD1 TYR A 22 1.025 -1.360 -4.837 1.00 0.00 C ATOM 319 CD2 TYR A 22 -1.383 -1.510 -4.591 1.00 0.00 C ATOM 320 CE1 TYR A 22 1.084 -2.710 -5.204 1.00 0.00 C ATOM 321 CE2 TYR A 22 -1.337 -2.847 -5.036 1.00 0.00 C ATOM 322 CZ TYR A 22 -0.093 -3.474 -5.277 1.00 0.00 C ATOM 323 OH TYR A 22 0.019 -4.799 -5.558 1.00 0.00 O ATOM 0 H TYR A 22 -0.021 2.874 -2.904 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.010 0.165 -1.781 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.255 1.002 -3.984 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.345 1.268 -4.647 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.924 -0.762 -4.849 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.332 -1.050 -4.357 1.00 0.00 H new ATOM 0 HE1 TYR A 22 2.037 -3.165 -5.432 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.255 -3.394 -5.193 1.00 0.00 H new ATOM 0 HH TYR A 22 -0.872 -5.206 -5.577 1.00 0.00 H new ATOM 333 N TYR A 23 2.456 -0.323 -2.191 1.00 0.00 N ATOM 334 CA TYR A 23 3.907 -0.533 -2.279 1.00 0.00 C ATOM 335 C TYR A 23 4.288 -1.337 -3.531 1.00 0.00 C ATOM 336 O TYR A 23 3.763 -2.437 -3.709 1.00 0.00 O ATOM 337 CB TYR A 23 4.370 -1.296 -1.044 1.00 0.00 C ATOM 338 CG TYR A 23 5.824 -1.719 -1.118 1.00 0.00 C ATOM 339 CD1 TYR A 23 6.846 -0.755 -1.143 1.00 0.00 C ATOM 340 CD2 TYR A 23 6.158 -3.080 -1.175 1.00 0.00 C ATOM 341 CE1 TYR A 23 8.190 -1.135 -1.236 1.00 0.00 C ATOM 342 CE2 TYR A 23 7.501 -3.469 -1.243 1.00 0.00 C ATOM 343 CZ TYR A 23 8.518 -2.499 -1.332 1.00 0.00 C ATOM 344 OH TYR A 23 9.794 -2.897 -1.538 1.00 0.00 O ATOM 0 H TYR A 23 1.957 -1.090 -1.740 1.00 0.00 H new ATOM 0 HA TYR A 23 4.390 0.442 -2.340 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.224 -0.672 -0.162 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.746 -2.181 -0.916 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.591 0.293 -1.090 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.379 -3.828 -1.166 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.969 -0.387 -1.234 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.758 -4.518 -1.227 1.00 0.00 H new ATOM 0 HH TYR A 23 10.384 -2.449 -0.896 1.00 0.00 H new ATOM 354 N ASN A 24 5.192 -0.832 -4.387 1.00 0.00 N ATOM 355 CA ASN A 24 5.618 -1.534 -5.600 1.00 0.00 C ATOM 356 C ASN A 24 7.109 -1.868 -5.536 1.00 0.00 C ATOM 357 O ASN A 24 7.951 -1.125 -6.053 1.00 0.00 O ATOM 358 CB ASN A 24 5.296 -0.745 -6.882 1.00 0.00 C ATOM 359 CG ASN A 24 3.810 -0.721 -7.220 1.00 0.00 C ATOM 360 OD1 ASN A 24 3.172 -1.755 -7.397 1.00 0.00 O ATOM 361 ND2 ASN A 24 3.234 0.460 -7.337 1.00 0.00 N ATOM 0 H ASN A 24 5.645 0.072 -4.254 1.00 0.00 H new ATOM 0 HA ASN A 24 5.048 -2.462 -5.645 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.652 0.279 -6.769 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.844 -1.183 -7.716 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.245 0.523 -7.578 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.778 1.310 -7.187 1.00 0.00 H new ATOM 368 N GLN A 25 7.435 -3.030 -4.958 1.00 0.00 N ATOM 369 CA GLN A 25 8.796 -3.554 -4.825 1.00 0.00 C ATOM 370 C GLN A 25 9.500 -3.591 -6.181 1.00 0.00 C ATOM 371 O GLN A 25 10.692 -3.300 -6.230 1.00 0.00 O ATOM 372 CB GLN A 25 8.836 -4.968 -4.203 1.00 0.00 C ATOM 373 CG GLN A 25 7.739 -5.952 -4.650 1.00 0.00 C ATOM 374 CD GLN A 25 6.429 -5.731 -3.893 1.00 0.00 C ATOM 375 OE1 GLN A 25 6.359 -5.934 -2.693 1.00 0.00 O ATOM 376 NE2 GLN A 25 5.377 -5.252 -4.534 1.00 0.00 N ATOM 0 H GLN A 25 6.733 -3.652 -4.557 1.00 0.00 H new ATOM 0 HA GLN A 25 9.315 -2.873 -4.151 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.805 -5.412 -4.431 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.779 -4.865 -3.119 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.563 -5.838 -5.720 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.082 -6.974 -4.491 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.427 -5.079 -5.538 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.515 -5.055 -4.025 1.00 0.00 H new ATOM 385 N TYR A 26 8.768 -3.886 -7.265 1.00 0.00 N ATOM 386 CA TYR A 26 9.292 -3.954 -8.624 1.00 0.00 C ATOM 387 C TYR A 26 10.076 -2.697 -8.996 1.00 0.00 C ATOM 388 O TYR A 26 11.077 -2.799 -9.703 1.00 0.00 O ATOM 389 CB TYR A 26 8.142 -4.096 -9.631 1.00 0.00 C ATOM 390 CG TYR A 26 7.271 -5.327 -9.506 1.00 0.00 C ATOM 391 CD1 TYR A 26 7.792 -6.593 -9.831 1.00 0.00 C ATOM 392 CD2 TYR A 26 5.916 -5.198 -9.148 1.00 0.00 C ATOM 393 CE1 TYR A 26 6.962 -7.727 -9.819 1.00 0.00 C ATOM 394 CE2 TYR A 26 5.082 -6.327 -9.134 1.00 0.00 C ATOM 395 CZ TYR A 26 5.597 -7.594 -9.487 1.00 0.00 C ATOM 396 OH TYR A 26 4.770 -8.675 -9.478 1.00 0.00 O ATOM 0 H TYR A 26 7.770 -4.088 -7.212 1.00 0.00 H new ATOM 0 HA TYR A 26 9.954 -4.819 -8.660 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.503 -3.218 -9.542 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.566 -4.081 -10.635 1.00 0.00 H new ATOM 0 HD1 TYR A 26 8.835 -6.694 -10.091 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.518 -4.230 -8.884 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.368 -8.698 -10.063 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.044 -6.227 -8.853 1.00 0.00 H new ATOM 0 HH TYR A 26 3.866 -8.393 -9.225 1.00 0.00 H new ATOM 406 N SER A 27 9.644 -1.532 -8.503 1.00 0.00 N ATOM 407 CA SER A 27 10.272 -0.251 -8.780 1.00 0.00 C ATOM 408 C SER A 27 10.860 0.402 -7.522 1.00 0.00 C ATOM 409 O SER A 27 11.265 1.560 -7.580 1.00 0.00 O ATOM 410 CB SER A 27 9.262 0.622 -9.539 1.00 0.00 C ATOM 411 OG SER A 27 9.911 1.644 -10.270 1.00 0.00 O ATOM 0 H SER A 27 8.832 -1.459 -7.890 1.00 0.00 H new ATOM 0 HA SER A 27 11.145 -0.390 -9.418 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.680 0.000 -10.219 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.560 1.067 -8.833 1.00 0.00 H new ATOM 0 HG SER A 27 10.624 2.035 -9.723 1.00 0.00 H new ATOM 417 N ASN A 28 10.938 -0.320 -6.395 1.00 0.00 N ATOM 418 CA ASN A 28 11.481 0.159 -5.126 1.00 0.00 C ATOM 419 C ASN A 28 10.893 1.530 -4.742 1.00 0.00 C ATOM 420 O ASN A 28 11.610 2.445 -4.339 1.00 0.00 O ATOM 421 CB ASN A 28 13.026 0.110 -5.229 1.00 0.00 C ATOM 422 CG ASN A 28 13.825 0.645 -4.046 1.00 0.00 C ATOM 423 OD1 ASN A 28 14.451 1.699 -4.131 1.00 0.00 O ATOM 424 ND2 ASN A 28 13.900 -0.071 -2.940 1.00 0.00 N ATOM 0 H ASN A 28 10.613 -1.285 -6.345 1.00 0.00 H new ATOM 0 HA ASN A 28 11.186 -0.483 -4.296 1.00 0.00 H new ATOM 0 HB2 ASN A 28 13.320 -0.927 -5.393 1.00 0.00 H new ATOM 0 HB3 ASN A 28 13.322 0.669 -6.116 1.00 0.00 H new ATOM 0 HD21 ASN A 28 14.475 0.251 -2.162 1.00 0.00 H new ATOM 0 HD22 ASN A 28 13.383 -0.947 -2.863 1.00 0.00 H new ATOM 431 N THR A 29 9.581 1.698 -4.925 1.00 0.00 N ATOM 432 CA THR A 29 8.863 2.923 -4.589 1.00 0.00 C ATOM 433 C THR A 29 7.424 2.542 -4.228 1.00 0.00 C ATOM 434 O THR A 29 7.097 1.353 -4.113 1.00 0.00 O ATOM 435 CB THR A 29 8.993 3.983 -5.709 1.00 0.00 C ATOM 436 OG1 THR A 29 8.598 5.257 -5.229 1.00 0.00 O ATOM 437 CG2 THR A 29 8.183 3.652 -6.963 1.00 0.00 C ATOM 0 H THR A 29 8.981 0.973 -5.318 1.00 0.00 H new ATOM 0 HA THR A 29 9.303 3.411 -3.719 1.00 0.00 H new ATOM 0 HB THR A 29 10.045 3.986 -5.995 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.687 5.919 -5.946 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.323 4.439 -7.704 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.522 2.701 -7.375 1.00 0.00 H new ATOM 0 HG23 THR A 29 7.126 3.580 -6.705 1.00 0.00 H new ATOM 445 N CYS A 30 6.563 3.533 -4.007 1.00 0.00 N ATOM 446 CA CYS A 30 5.182 3.336 -3.665 1.00 0.00 C ATOM 447 C CYS A 30 4.341 4.347 -4.444 1.00 0.00 C ATOM 448 O CYS A 30 4.839 5.423 -4.781 1.00 0.00 O ATOM 449 CB CYS A 30 5.034 3.499 -2.159 1.00 0.00 C ATOM 450 SG CYS A 30 6.257 2.894 -0.990 1.00 0.00 S ATOM 0 H CYS A 30 6.827 4.516 -4.066 1.00 0.00 H new ATOM 0 HA CYS A 30 4.836 2.337 -3.932 1.00 0.00 H new ATOM 0 HB2 CYS A 30 4.927 4.567 -1.971 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.087 3.032 -1.888 1.00 0.00 H new ATOM 455 N HIS A 31 3.071 4.032 -4.714 1.00 0.00 N ATOM 456 CA HIS A 31 2.176 4.897 -5.463 1.00 0.00 C ATOM 457 C HIS A 31 0.758 4.858 -4.914 1.00 0.00 C ATOM 458 O HIS A 31 0.351 3.864 -4.316 1.00 0.00 O ATOM 459 CB HIS A 31 2.199 4.435 -6.917 1.00 0.00 C ATOM 460 CG HIS A 31 1.770 5.511 -7.874 1.00 0.00 C ATOM 461 ND1 HIS A 31 0.734 5.447 -8.777 1.00 0.00 N ATOM 462 CD2 HIS A 31 2.378 6.725 -8.021 1.00 0.00 C ATOM 463 CE1 HIS A 31 0.722 6.596 -9.471 1.00 0.00 C ATOM 464 NE2 HIS A 31 1.718 7.399 -9.056 1.00 0.00 N ATOM 0 H HIS A 31 2.638 3.159 -4.413 1.00 0.00 H new ATOM 0 HA HIS A 31 2.513 5.930 -5.378 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.206 4.107 -7.174 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.544 3.571 -7.030 1.00 0.00 H new ATOM 0 HD2 HIS A 31 3.213 7.096 -7.446 1.00 0.00 H new ATOM 0 HE1 HIS A 31 0.015 6.840 -10.250 1.00 0.00 H new ATOM 0 HE2 HIS A 31 1.948 8.322 -9.424 1.00 0.00 H new ATOM 472 N SER A 32 -0.014 5.924 -5.110 1.00 0.00 N ATOM 473 CA SER A 32 -1.384 5.974 -4.628 1.00 0.00 C ATOM 474 C SER A 32 -2.277 5.004 -5.409 1.00 0.00 C ATOM 475 O SER A 32 -2.101 4.821 -6.615 1.00 0.00 O ATOM 476 CB SER A 32 -1.905 7.404 -4.752 1.00 0.00 C ATOM 477 OG SER A 32 -1.734 7.917 -6.065 1.00 0.00 O ATOM 0 H SER A 32 0.291 6.765 -5.601 1.00 0.00 H new ATOM 0 HA SER A 32 -1.405 5.669 -3.582 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.962 7.430 -4.487 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.382 8.044 -4.041 1.00 0.00 H new ATOM 0 HG SER A 32 -2.080 8.833 -6.106 1.00 0.00 H new ATOM 483 N PHE A 33 -3.248 4.394 -4.740 1.00 0.00 N ATOM 484 CA PHE A 33 -4.234 3.457 -5.270 1.00 0.00 C ATOM 485 C PHE A 33 -5.579 3.703 -4.553 1.00 0.00 C ATOM 486 O PHE A 33 -5.700 4.641 -3.757 1.00 0.00 O ATOM 487 CB PHE A 33 -3.723 2.009 -5.219 1.00 0.00 C ATOM 488 CG PHE A 33 -3.975 1.301 -3.909 1.00 0.00 C ATOM 489 CD1 PHE A 33 -3.253 1.663 -2.764 1.00 0.00 C ATOM 490 CD2 PHE A 33 -4.993 0.342 -3.810 1.00 0.00 C ATOM 491 CE1 PHE A 33 -3.509 1.041 -1.535 1.00 0.00 C ATOM 492 CE2 PHE A 33 -5.310 -0.214 -2.563 1.00 0.00 C ATOM 493 CZ PHE A 33 -4.549 0.117 -1.429 1.00 0.00 C ATOM 0 H PHE A 33 -3.377 4.552 -3.741 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.403 3.631 -6.333 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.196 1.442 -6.021 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.651 2.008 -5.417 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.493 2.428 -2.829 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -5.532 0.032 -4.693 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.903 1.276 -0.672 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -6.141 -0.898 -2.474 1.00 0.00 H new ATOM 0 HZ PHE A 33 -4.769 -0.343 -0.477 1.00 0.00 H new ATOM 503 N THR A 34 -6.622 2.938 -4.856 1.00 0.00 N ATOM 504 CA THR A 34 -7.961 3.090 -4.256 1.00 0.00 C ATOM 505 C THR A 34 -8.261 2.025 -3.185 1.00 0.00 C ATOM 506 O THR A 34 -8.066 0.836 -3.448 1.00 0.00 O ATOM 507 CB THR A 34 -9.008 3.075 -5.391 1.00 0.00 C ATOM 508 OG1 THR A 34 -8.749 2.037 -6.325 1.00 0.00 O ATOM 509 CG2 THR A 34 -8.990 4.393 -6.171 1.00 0.00 C ATOM 0 H THR A 34 -6.569 2.179 -5.536 1.00 0.00 H new ATOM 0 HA THR A 34 -8.002 4.042 -3.728 1.00 0.00 H new ATOM 0 HB THR A 34 -9.975 2.921 -4.912 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.430 2.053 -7.029 1.00 0.00 H new ATOM 0 HG21 THR A 34 -9.736 4.356 -6.964 1.00 0.00 H new ATOM 0 HG22 THR A 34 -9.218 5.218 -5.496 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.003 4.544 -6.608 1.00 0.00 H new ATOM 517 N TYR A 35 -8.719 2.416 -1.983 1.00 0.00 N ATOM 518 CA TYR A 35 -9.058 1.485 -0.902 1.00 0.00 C ATOM 519 C TYR A 35 -10.516 1.688 -0.465 1.00 0.00 C ATOM 520 O TYR A 35 -11.140 2.694 -0.816 1.00 0.00 O ATOM 521 CB TYR A 35 -8.087 1.632 0.277 1.00 0.00 C ATOM 522 CG TYR A 35 -7.924 0.434 1.186 1.00 0.00 C ATOM 523 CD1 TYR A 35 -7.261 -0.711 0.706 1.00 0.00 C ATOM 524 CD2 TYR A 35 -8.254 0.530 2.551 1.00 0.00 C ATOM 525 CE1 TYR A 35 -6.844 -1.707 1.597 1.00 0.00 C ATOM 526 CE2 TYR A 35 -7.910 -0.507 3.436 1.00 0.00 C ATOM 527 CZ TYR A 35 -7.160 -1.610 2.969 1.00 0.00 C ATOM 528 OH TYR A 35 -6.701 -2.567 3.816 1.00 0.00 O ATOM 0 H TYR A 35 -8.864 3.395 -1.736 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.957 0.466 -1.275 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.106 1.890 -0.122 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -8.416 2.475 0.884 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.074 -0.821 -0.352 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -8.773 1.403 2.920 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -6.279 -2.552 1.233 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.218 -0.461 4.470 1.00 0.00 H new ATOM 0 HH TYR A 35 -7.441 -3.153 4.080 1.00 0.00 H new ATOM 538 N SER A 36 -11.032 0.777 0.368 1.00 0.00 N ATOM 539 CA SER A 36 -12.401 0.811 0.886 1.00 0.00 C ATOM 540 C SER A 36 -12.478 0.777 2.417 1.00 0.00 C ATOM 541 O SER A 36 -13.524 1.085 2.982 1.00 0.00 O ATOM 542 CB SER A 36 -13.203 -0.328 0.256 1.00 0.00 C ATOM 543 OG SER A 36 -12.494 -1.551 0.328 1.00 0.00 O ATOM 0 H SER A 36 -10.496 -0.022 0.707 1.00 0.00 H new ATOM 0 HA SER A 36 -12.838 1.769 0.604 1.00 0.00 H new ATOM 0 HB2 SER A 36 -14.161 -0.429 0.767 1.00 0.00 H new ATOM 0 HB3 SER A 36 -13.421 -0.091 -0.785 1.00 0.00 H new ATOM 0 HG SER A 36 -12.787 -2.142 -0.397 1.00 0.00 H new ATOM 549 N GLY A 37 -11.408 0.412 3.125 1.00 0.00 N ATOM 550 CA GLY A 37 -11.387 0.376 4.584 1.00 0.00 C ATOM 551 C GLY A 37 -12.072 -0.835 5.223 1.00 0.00 C ATOM 552 O GLY A 37 -11.499 -1.378 6.166 1.00 0.00 O ATOM 0 H GLY A 37 -10.526 0.131 2.697 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.349 0.401 4.916 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.864 1.281 4.959 1.00 0.00 H new ATOM 556 N CYS A 38 -13.234 -1.293 4.740 1.00 0.00 N ATOM 557 CA CYS A 38 -13.933 -2.446 5.330 1.00 0.00 C ATOM 558 C CYS A 38 -13.185 -3.769 5.122 1.00 0.00 C ATOM 559 O CYS A 38 -13.441 -4.762 5.812 1.00 0.00 O ATOM 560 CB CYS A 38 -15.336 -2.605 4.722 1.00 0.00 C ATOM 561 SG CYS A 38 -15.421 -3.603 3.213 1.00 0.00 S ATOM 0 H CYS A 38 -13.713 -0.882 3.939 1.00 0.00 H new ATOM 0 HA CYS A 38 -13.990 -2.237 6.398 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -15.989 -3.053 5.471 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -15.734 -1.614 4.504 1.00 0.00 H new ATOM 566 N GLY A 39 -12.324 -3.797 4.108 1.00 0.00 N ATOM 567 CA GLY A 39 -11.520 -4.921 3.698 1.00 0.00 C ATOM 568 C GLY A 39 -10.171 -4.422 3.253 1.00 0.00 C ATOM 569 O GLY A 39 -9.764 -3.316 3.621 1.00 0.00 O ATOM 0 H GLY A 39 -12.167 -2.978 3.520 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.408 -5.625 4.523 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.010 -5.458 2.886 1.00 0.00 H new ATOM 573 N GLY A 40 -9.497 -5.233 2.446 1.00 0.00 N ATOM 574 CA GLY A 40 -8.179 -4.919 1.942 1.00 0.00 C ATOM 575 C GLY A 40 -7.120 -5.739 2.666 1.00 0.00 C ATOM 576 O GLY A 40 -7.448 -6.652 3.424 1.00 0.00 O ATOM 0 H GLY A 40 -9.858 -6.131 2.125 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.135 -5.122 0.872 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.977 -3.856 2.074 1.00 0.00 H new ATOM 580 N ASN A 41 -5.850 -5.503 2.338 1.00 0.00 N ATOM 581 CA ASN A 41 -4.725 -6.200 2.956 1.00 0.00 C ATOM 582 C ASN A 41 -3.715 -5.175 3.448 1.00 0.00 C ATOM 583 O ASN A 41 -3.707 -4.028 2.991 1.00 0.00 O ATOM 584 CB ASN A 41 -4.069 -7.218 2.001 1.00 0.00 C ATOM 585 CG ASN A 41 -4.848 -8.527 1.959 1.00 0.00 C ATOM 586 OD1 ASN A 41 -4.899 -9.236 2.960 1.00 0.00 O ATOM 587 ND2 ASN A 41 -5.456 -8.873 0.840 1.00 0.00 N ATOM 0 H ASN A 41 -5.573 -4.820 1.633 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.100 -6.777 3.801 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.013 -6.794 0.998 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.046 -7.413 2.322 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.982 -9.746 0.794 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -5.400 -8.268 0.021 1.00 0.00 H new ATOM 594 N ALA A 42 -2.775 -5.641 4.272 1.00 0.00 N ATOM 595 CA ALA A 42 -1.725 -4.840 4.888 1.00 0.00 C ATOM 596 C ALA A 42 -0.845 -4.058 3.905 1.00 0.00 C ATOM 597 O ALA A 42 -0.139 -3.158 4.359 1.00 0.00 O ATOM 598 CB ALA A 42 -0.862 -5.743 5.771 1.00 0.00 C ATOM 0 H ALA A 42 -2.726 -6.625 4.536 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.231 -4.076 5.478 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.074 -5.151 6.236 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.482 -6.194 6.546 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.415 -6.528 5.161 1.00 0.00 H new ATOM 604 N ASN A 43 -0.861 -4.369 2.599 1.00 0.00 N ATOM 605 CA ASN A 43 -0.072 -3.646 1.597 1.00 0.00 C ATOM 606 C ASN A 43 -0.452 -2.158 1.538 1.00 0.00 C ATOM 607 O ASN A 43 0.332 -1.346 1.046 1.00 0.00 O ATOM 608 CB ASN A 43 -0.252 -4.317 0.221 1.00 0.00 C ATOM 609 CG ASN A 43 -0.641 -3.371 -0.912 1.00 0.00 C ATOM 610 OD1 ASN A 43 -1.768 -2.897 -0.953 1.00 0.00 O ATOM 611 ND2 ASN A 43 0.223 -3.118 -1.876 1.00 0.00 N ATOM 0 H ASN A 43 -1.421 -5.128 2.212 1.00 0.00 H new ATOM 0 HA ASN A 43 0.978 -3.692 1.885 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.679 -4.817 -0.047 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.016 -5.090 0.307 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -0.047 -2.525 -2.660 1.00 0.00 H new ATOM 0 HD22 ASN A 43 1.161 -3.516 -1.837 1.00 0.00 H new ATOM 618 N ARG A 44 -1.656 -1.806 1.999 1.00 0.00 N ATOM 619 CA ARG A 44 -2.146 -0.444 2.001 1.00 0.00 C ATOM 620 C ARG A 44 -1.449 0.386 3.078 1.00 0.00 C ATOM 621 O ARG A 44 -1.319 -0.059 4.217 1.00 0.00 O ATOM 622 CB ARG A 44 -3.665 -0.511 2.236 1.00 0.00 C ATOM 623 CG ARG A 44 -4.348 0.869 2.251 1.00 0.00 C ATOM 624 CD ARG A 44 -4.897 1.287 3.621 1.00 0.00 C ATOM 625 NE ARG A 44 -3.916 1.130 4.701 1.00 0.00 N ATOM 626 CZ ARG A 44 -3.868 1.818 5.839 1.00 0.00 C ATOM 627 NH1 ARG A 44 -4.711 2.817 6.067 1.00 0.00 N ATOM 628 NH2 ARG A 44 -2.943 1.501 6.732 1.00 0.00 N ATOM 0 H ARG A 44 -2.320 -2.477 2.385 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.932 0.046 1.051 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.118 -1.123 1.456 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.856 -1.012 3.185 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.632 1.619 1.915 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.166 0.864 1.531 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.217 2.328 3.576 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.781 0.691 3.850 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.196 0.420 4.565 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.408 3.067 5.365 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.662 3.335 6.944 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.287 0.744 6.540 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.886 2.014 7.612 1.00 0.00 H new ATOM 642 N PHE A 45 -1.152 1.643 2.762 1.00 0.00 N ATOM 643 CA PHE A 45 -0.530 2.648 3.614 1.00 0.00 C ATOM 644 C PHE A 45 -1.318 3.946 3.479 1.00 0.00 C ATOM 645 O PHE A 45 -2.218 4.063 2.648 1.00 0.00 O ATOM 646 CB PHE A 45 0.929 2.889 3.205 1.00 0.00 C ATOM 647 CG PHE A 45 1.809 1.702 3.478 1.00 0.00 C ATOM 648 CD1 PHE A 45 2.326 1.492 4.770 1.00 0.00 C ATOM 649 CD2 PHE A 45 2.046 0.770 2.456 1.00 0.00 C ATOM 650 CE1 PHE A 45 3.086 0.343 5.035 1.00 0.00 C ATOM 651 CE2 PHE A 45 2.807 -0.373 2.724 1.00 0.00 C ATOM 652 CZ PHE A 45 3.341 -0.577 4.006 1.00 0.00 C ATOM 0 H PHE A 45 -1.356 2.012 1.833 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.538 2.298 4.646 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.970 3.130 2.143 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.315 3.755 3.743 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.139 2.212 5.553 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.643 0.934 1.468 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.474 0.167 6.028 1.00 0.00 H new ATOM 0 HE2 PHE A 45 2.984 -1.099 1.944 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.951 -1.446 4.202 1.00 0.00 H new ATOM 662 N ARG A 46 -0.964 4.945 4.286 1.00 0.00 N ATOM 663 CA ARG A 46 -1.588 6.265 4.289 1.00 0.00 C ATOM 664 C ARG A 46 -0.704 7.281 3.574 1.00 0.00 C ATOM 665 O ARG A 46 -1.174 8.367 3.261 1.00 0.00 O ATOM 666 CB ARG A 46 -1.995 6.699 5.712 1.00 0.00 C ATOM 667 CG ARG A 46 -1.079 6.267 6.874 1.00 0.00 C ATOM 668 CD ARG A 46 0.393 6.674 6.765 1.00 0.00 C ATOM 669 NE ARG A 46 0.572 8.133 6.644 1.00 0.00 N ATOM 670 CZ ARG A 46 0.922 8.972 7.627 1.00 0.00 C ATOM 671 NH1 ARG A 46 1.201 8.538 8.847 1.00 0.00 N ATOM 672 NH2 ARG A 46 0.999 10.268 7.375 1.00 0.00 N ATOM 0 H ARG A 46 -0.216 4.855 4.973 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.518 6.210 3.724 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.066 7.787 5.725 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.995 6.312 5.909 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.481 6.681 7.799 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.128 5.182 6.963 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.930 6.318 7.644 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.838 6.184 5.899 1.00 0.00 H new ATOM 0 HE ARG A 46 0.414 8.542 5.723 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.152 7.541 9.057 1.00 0.00 H new ATOM 0 HH12 ARG A 46 1.465 9.201 9.576 1.00 0.00 H new ATOM 0 HH21 ARG A 46 0.793 10.619 6.440 1.00 0.00 H new ATOM 0 HH22 ARG A 46 1.265 10.917 8.116 1.00 0.00 H new ATOM 686 N THR A 47 0.574 6.975 3.344 1.00 0.00 N ATOM 687 CA THR A 47 1.490 7.858 2.648 1.00 0.00 C ATOM 688 C THR A 47 2.677 7.072 2.115 1.00 0.00 C ATOM 689 O THR A 47 2.989 5.986 2.621 1.00 0.00 O ATOM 690 CB THR A 47 1.900 9.053 3.523 1.00 0.00 C ATOM 691 OG1 THR A 47 2.492 10.058 2.730 1.00 0.00 O ATOM 692 CG2 THR A 47 2.902 8.633 4.597 1.00 0.00 C ATOM 0 H THR A 47 0.999 6.097 3.642 1.00 0.00 H new ATOM 0 HA THR A 47 0.977 8.287 1.787 1.00 0.00 H new ATOM 0 HB THR A 47 0.997 9.433 4.001 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.747 10.815 3.298 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.173 9.499 5.200 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.453 7.872 5.236 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.795 8.227 4.122 1.00 0.00 H new ATOM 700 N ILE A 48 3.320 7.630 1.089 1.00 0.00 N ATOM 701 CA ILE A 48 4.498 7.053 0.470 1.00 0.00 C ATOM 702 C ILE A 48 5.651 7.139 1.471 1.00 0.00 C ATOM 703 O ILE A 48 6.512 6.272 1.443 1.00 0.00 O ATOM 704 CB ILE A 48 4.842 7.736 -0.878 1.00 0.00 C ATOM 705 CG1 ILE A 48 6.211 7.219 -1.396 1.00 0.00 C ATOM 706 CG2 ILE A 48 4.799 9.279 -0.807 1.00 0.00 C ATOM 707 CD1 ILE A 48 6.594 7.716 -2.792 1.00 0.00 C ATOM 0 H ILE A 48 3.027 8.509 0.663 1.00 0.00 H new ATOM 0 HA ILE A 48 4.307 6.009 0.223 1.00 0.00 H new ATOM 0 HB ILE A 48 4.066 7.460 -1.592 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.987 7.519 -0.692 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.193 6.129 -1.405 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.049 9.695 -1.783 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.798 9.602 -0.520 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.519 9.629 -0.068 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.564 7.305 -3.071 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.842 7.393 -3.512 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.649 8.805 -2.788 1.00 0.00 H new ATOM 719 N ASP A 49 5.673 8.124 2.373 1.00 0.00 N ATOM 720 CA ASP A 49 6.765 8.245 3.335 1.00 0.00 C ATOM 721 C ASP A 49 6.805 7.056 4.279 1.00 0.00 C ATOM 722 O ASP A 49 7.877 6.545 4.582 1.00 0.00 O ATOM 723 CB ASP A 49 6.673 9.536 4.140 1.00 0.00 C ATOM 724 CG ASP A 49 7.883 9.718 5.060 1.00 0.00 C ATOM 725 OD1 ASP A 49 9.033 9.413 4.665 1.00 0.00 O ATOM 726 OD2 ASP A 49 7.689 10.238 6.180 1.00 0.00 O ATOM 0 H ASP A 49 4.953 8.842 2.455 1.00 0.00 H new ATOM 0 HA ASP A 49 7.688 8.267 2.755 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.602 10.385 3.460 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.761 9.529 4.736 1.00 0.00 H new ATOM 731 N GLU A 50 5.636 6.612 4.750 1.00 0.00 N ATOM 732 CA GLU A 50 5.565 5.489 5.661 1.00 0.00 C ATOM 733 C GLU A 50 5.842 4.229 4.866 1.00 0.00 C ATOM 734 O GLU A 50 6.572 3.360 5.329 1.00 0.00 O ATOM 735 CB GLU A 50 4.194 5.413 6.340 1.00 0.00 C ATOM 736 CG GLU A 50 3.981 6.529 7.377 1.00 0.00 C ATOM 737 CD GLU A 50 5.058 6.557 8.458 1.00 0.00 C ATOM 738 OE1 GLU A 50 5.164 5.570 9.220 1.00 0.00 O ATOM 739 OE2 GLU A 50 5.791 7.562 8.545 1.00 0.00 O ATOM 0 H GLU A 50 4.732 7.019 4.510 1.00 0.00 H new ATOM 0 HA GLU A 50 6.304 5.607 6.453 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.414 5.474 5.581 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.088 4.444 6.828 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.962 7.492 6.867 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.006 6.398 7.847 1.00 0.00 H new ATOM 746 N CYS A 51 5.268 4.138 3.664 1.00 0.00 N ATOM 747 CA CYS A 51 5.452 2.985 2.817 1.00 0.00 C ATOM 748 C CYS A 51 6.927 2.777 2.454 1.00 0.00 C ATOM 749 O CYS A 51 7.441 1.659 2.491 1.00 0.00 O ATOM 750 CB CYS A 51 4.619 3.176 1.553 1.00 0.00 C ATOM 751 SG CYS A 51 4.977 1.945 0.293 1.00 0.00 S ATOM 0 H CYS A 51 4.670 4.861 3.264 1.00 0.00 H new ATOM 0 HA CYS A 51 5.127 2.095 3.356 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.561 3.130 1.810 1.00 0.00 H new ATOM 0 HB3 CYS A 51 4.805 4.170 1.147 1.00 0.00 H new ATOM 756 N ASN A 52 7.612 3.854 2.076 1.00 0.00 N ATOM 757 CA ASN A 52 9.000 3.784 1.681 1.00 0.00 C ATOM 758 C ASN A 52 9.858 3.513 2.900 1.00 0.00 C ATOM 759 O ASN A 52 10.538 2.492 2.931 1.00 0.00 O ATOM 760 CB ASN A 52 9.436 4.955 0.776 1.00 0.00 C ATOM 761 CG ASN A 52 10.041 6.164 1.464 1.00 0.00 C ATOM 762 OD1 ASN A 52 11.111 6.097 2.064 1.00 0.00 O ATOM 763 ND2 ASN A 52 9.395 7.304 1.346 1.00 0.00 N ATOM 0 H ASN A 52 7.214 4.792 2.038 1.00 0.00 H new ATOM 0 HA ASN A 52 9.151 2.934 1.016 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.161 4.576 0.056 1.00 0.00 H new ATOM 0 HB3 ASN A 52 8.567 5.287 0.208 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.781 8.154 1.757 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.508 7.338 0.844 1.00 0.00 H new ATOM 770 N ARG A 53 9.732 4.312 3.960 1.00 0.00 N ATOM 771 CA ARG A 53 10.550 4.094 5.154 1.00 0.00 C ATOM 772 C ARG A 53 10.372 2.704 5.778 1.00 0.00 C ATOM 773 O ARG A 53 11.283 2.224 6.457 1.00 0.00 O ATOM 774 CB ARG A 53 10.347 5.235 6.166 1.00 0.00 C ATOM 775 CG ARG A 53 9.128 5.047 7.074 1.00 0.00 C ATOM 776 CD ARG A 53 8.785 6.325 7.845 1.00 0.00 C ATOM 777 NE ARG A 53 9.833 6.670 8.820 1.00 0.00 N ATOM 778 CZ ARG A 53 9.875 6.289 10.103 1.00 0.00 C ATOM 779 NH1 ARG A 53 8.913 5.527 10.622 1.00 0.00 N ATOM 780 NH2 ARG A 53 10.895 6.668 10.862 1.00 0.00 N ATOM 0 H ARG A 53 9.086 5.100 4.018 1.00 0.00 H new ATOM 0 HA ARG A 53 11.591 4.114 4.833 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.240 5.322 6.785 1.00 0.00 H new ATOM 0 HB3 ARG A 53 10.243 6.175 5.624 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.271 4.745 6.472 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.322 4.239 7.779 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.655 7.149 7.144 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.835 6.194 8.363 1.00 0.00 H new ATOM 0 HE ARG A 53 10.600 7.255 8.487 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.131 5.226 10.040 1.00 0.00 H new ATOM 0 HH12 ARG A 53 8.959 5.245 11.601 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.638 7.244 10.467 1.00 0.00 H new ATOM 0 HH22 ARG A 53 10.936 6.383 11.841 1.00 0.00 H new ATOM 794 N THR A 54 9.234 2.038 5.575 1.00 0.00 N ATOM 795 CA THR A 54 8.968 0.719 6.130 1.00 0.00 C ATOM 796 C THR A 54 9.232 -0.431 5.150 1.00 0.00 C ATOM 797 O THR A 54 9.268 -1.570 5.621 1.00 0.00 O ATOM 798 CB THR A 54 7.546 0.710 6.720 1.00 0.00 C ATOM 799 OG1 THR A 54 7.448 -0.239 7.763 1.00 0.00 O ATOM 800 CG2 THR A 54 6.439 0.439 5.696 1.00 0.00 C ATOM 0 H THR A 54 8.466 2.407 5.014 1.00 0.00 H new ATOM 0 HA THR A 54 9.683 0.530 6.931 1.00 0.00 H new ATOM 0 HB THR A 54 7.388 1.721 7.096 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.967 -1.037 7.529 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.470 0.450 6.196 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.459 1.210 4.926 1.00 0.00 H new ATOM 0 HG23 THR A 54 6.599 -0.537 5.237 1.00 0.00 H new ATOM 808 N CYS A 55 9.412 -0.189 3.841 1.00 0.00 N ATOM 809 CA CYS A 55 9.626 -1.265 2.869 1.00 0.00 C ATOM 810 C CYS A 55 10.660 -0.998 1.783 1.00 0.00 C ATOM 811 O CYS A 55 11.295 -1.955 1.343 1.00 0.00 O ATOM 812 CB CYS A 55 8.302 -1.571 2.157 1.00 0.00 C ATOM 813 SG CYS A 55 6.887 -1.839 3.243 1.00 0.00 S ATOM 0 H CYS A 55 9.413 0.746 3.434 1.00 0.00 H new ATOM 0 HA CYS A 55 10.010 -2.091 3.467 1.00 0.00 H new ATOM 0 HB2 CYS A 55 8.071 -0.745 1.484 1.00 0.00 H new ATOM 0 HB3 CYS A 55 8.438 -2.458 1.539 1.00 0.00 H new ATOM 818 N VAL A 56 10.767 0.230 1.280 1.00 0.00 N ATOM 819 CA VAL A 56 11.722 0.589 0.237 1.00 0.00 C ATOM 820 C VAL A 56 13.125 0.370 0.792 1.00 0.00 C ATOM 821 O VAL A 56 13.542 0.988 1.774 1.00 0.00 O ATOM 822 CB VAL A 56 11.458 2.017 -0.272 1.00 0.00 C ATOM 823 CG1 VAL A 56 12.582 2.639 -1.099 1.00 0.00 C ATOM 824 CG2 VAL A 56 10.193 2.015 -1.149 1.00 0.00 C ATOM 0 H VAL A 56 10.187 1.010 1.589 1.00 0.00 H new ATOM 0 HA VAL A 56 11.611 -0.044 -0.643 1.00 0.00 H new ATOM 0 HB VAL A 56 11.359 2.621 0.630 1.00 0.00 H new ATOM 0 HG11 VAL A 56 12.294 3.644 -1.407 1.00 0.00 H new ATOM 0 HG12 VAL A 56 13.490 2.690 -0.498 1.00 0.00 H new ATOM 0 HG13 VAL A 56 12.765 2.027 -1.982 1.00 0.00 H new ATOM 0 HG21 VAL A 56 10.001 3.024 -1.513 1.00 0.00 H new ATOM 0 HG22 VAL A 56 10.339 1.346 -1.997 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.342 1.674 -0.559 1.00 0.00 H new ATOM 834 N GLY A 57 13.812 -0.602 0.199 1.00 0.00 N ATOM 835 CA GLY A 57 15.167 -0.973 0.554 1.00 0.00 C ATOM 836 C GLY A 57 16.170 -0.053 -0.110 1.00 0.00 C ATOM 837 O GLY A 57 17.367 -0.210 0.211 1.00 0.00 O ATOM 0 H GLY A 57 13.427 -1.164 -0.560 1.00 0.00 H new ATOM 0 HA2 GLY A 57 15.289 -0.930 1.636 1.00 0.00 H new ATOM 0 HA3 GLY A 57 15.357 -2.003 0.253 1.00 0.00 H new TER 841 GLY A 57