USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 418 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 22 ASN : amide:sc= -5.04! C(o=-5.2!,f=-2.3!) USER MOD Set 1.2: A 29 GLN : amide:sc= -0.154 K(o=-5.2,f=-2.3) USER MOD Single : A 1 ASP N :NH3+ -176:sc= 0 (180deg=-0.0163) USER MOD Single : A 8 TYR OH : rot 130:sc= -0.134 USER MOD Single : A 9 THR OG1 : rot 180:sc= -1.08 USER MOD Single : A 13 LYS NZ :NH3+ 164:sc= -0.0258 (180deg=-0.222) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 68:sc= 0.0849 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 41:sc= 0.218 USER MOD Single : A 33 TYR OH : rot 180:sc= -0.235 USER MOD Single : A 39 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0392) USER MOD Single : A 41 ASN : amide:sc= -3.89! K(o=-3.9!,f=-2.3) USER MOD Single : A 42 ASN : amide:sc= -0.024 X(o=-0.024,f=-0.24) USER MOD Single : A 44 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0575) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -159:sc= 0 (180deg=-0.393) USER MOD Single : A 52 THR OG1 : rot 71:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -8.535 15.254 6.881 1.00 0.00 N ATOM 2 CA ASP A 1 -8.975 13.945 6.327 1.00 0.00 C ATOM 3 C ASP A 1 -8.248 13.626 5.025 1.00 0.00 C ATOM 4 O ASP A 1 -8.112 14.491 4.155 1.00 0.00 O ATOM 5 CB ASP A 1 -10.490 13.990 6.086 1.00 0.00 C ATOM 6 CG ASP A 1 -11.291 14.098 7.374 1.00 0.00 C ATOM 7 OD1 ASP A 1 -11.190 13.179 8.215 1.00 0.00 O ATOM 8 OD2 ASP A 1 -12.018 15.100 7.538 1.00 0.00 O ATOM 0 H1 ASP A 1 -8.995 15.414 7.800 1.00 0.00 H new ATOM 0 H2 ASP A 1 -7.503 15.248 7.007 1.00 0.00 H new ATOM 0 H3 ASP A 1 -8.800 16.016 6.224 1.00 0.00 H new ATOM 0 HA ASP A 1 -8.734 13.160 7.043 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -10.726 14.840 5.445 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -10.794 13.092 5.549 1.00 0.00 H new ATOM 15 N PHE A 2 -7.785 12.378 4.907 1.00 0.00 N ATOM 16 CA PHE A 2 -7.065 11.921 3.716 1.00 0.00 C ATOM 17 C PHE A 2 -7.894 10.906 2.926 1.00 0.00 C ATOM 18 O PHE A 2 -8.673 10.149 3.512 1.00 0.00 O ATOM 19 CB PHE A 2 -5.692 11.316 4.102 1.00 0.00 C ATOM 20 CG PHE A 2 -5.726 10.188 5.123 1.00 0.00 C ATOM 21 CD1 PHE A 2 -6.349 8.976 4.841 1.00 0.00 C ATOM 22 CD2 PHE A 2 -5.117 10.345 6.358 1.00 0.00 C ATOM 23 CE1 PHE A 2 -6.368 7.954 5.769 1.00 0.00 C ATOM 24 CE2 PHE A 2 -5.131 9.323 7.290 1.00 0.00 C ATOM 25 CZ PHE A 2 -5.757 8.126 6.995 1.00 0.00 C ATOM 0 H PHE A 2 -7.897 11.663 5.626 1.00 0.00 H new ATOM 0 HA PHE A 2 -6.893 12.788 3.078 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -5.212 10.946 3.196 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -5.062 12.115 4.493 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -6.825 8.833 3.882 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -4.625 11.277 6.596 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -6.860 7.021 5.536 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -4.653 9.460 8.249 1.00 0.00 H new ATOM 0 HZ PHE A 2 -5.768 7.327 7.722 1.00 0.00 H new ATOM 35 N CYS A 3 -7.700 10.892 1.595 1.00 0.00 N ATOM 36 CA CYS A 3 -8.399 9.962 0.684 1.00 0.00 C ATOM 37 C CYS A 3 -8.054 10.267 -0.777 1.00 0.00 C ATOM 38 O CYS A 3 -7.883 9.346 -1.582 1.00 0.00 O ATOM 39 CB CYS A 3 -9.926 10.013 0.868 1.00 0.00 C ATOM 40 SG CYS A 3 -10.845 8.828 -0.172 1.00 0.00 S ATOM 0 H CYS A 3 -7.056 11.523 1.119 1.00 0.00 H new ATOM 0 HA CYS A 3 -8.057 8.959 0.937 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -10.161 9.819 1.915 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -10.274 11.021 0.644 1.00 0.00 H new ATOM 45 N LEU A 4 -7.963 11.563 -1.108 1.00 0.00 N ATOM 46 CA LEU A 4 -7.650 12.010 -2.472 1.00 0.00 C ATOM 47 C LEU A 4 -6.130 12.106 -2.710 1.00 0.00 C ATOM 48 O LEU A 4 -5.679 12.753 -3.665 1.00 0.00 O ATOM 49 CB LEU A 4 -8.320 13.371 -2.753 1.00 0.00 C ATOM 50 CG LEU A 4 -9.858 13.373 -2.806 1.00 0.00 C ATOM 51 CD1 LEU A 4 -10.466 13.411 -1.407 1.00 0.00 C ATOM 52 CD2 LEU A 4 -10.355 14.549 -3.632 1.00 0.00 C ATOM 0 H LEU A 4 -8.103 12.325 -0.444 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.045 11.264 -3.162 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.003 14.074 -1.983 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.944 13.748 -3.704 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.177 12.445 -3.281 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.553 13.411 -1.483 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.142 12.535 -0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.138 14.314 -0.892 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -11.445 14.538 -3.661 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.013 15.481 -3.181 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.964 14.472 -4.647 1.00 0.00 H new ATOM 64 N GLU A 5 -5.350 11.448 -1.842 1.00 0.00 N ATOM 65 CA GLU A 5 -3.889 11.448 -1.952 1.00 0.00 C ATOM 66 C GLU A 5 -3.390 10.196 -2.694 1.00 0.00 C ATOM 67 O GLU A 5 -3.677 9.073 -2.270 1.00 0.00 O ATOM 68 CB GLU A 5 -3.238 11.529 -0.558 1.00 0.00 C ATOM 69 CG GLU A 5 -3.471 12.848 0.180 1.00 0.00 C ATOM 70 CD GLU A 5 -2.705 14.021 -0.418 1.00 0.00 C ATOM 71 OE1 GLU A 5 -2.961 14.364 -1.592 1.00 0.00 O ATOM 72 OE2 GLU A 5 -1.852 14.594 0.292 1.00 0.00 O ATOM 0 H GLU A 5 -5.710 10.908 -1.055 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.600 12.328 -2.527 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.621 10.713 0.055 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -2.165 11.372 -0.664 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.537 13.077 0.171 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -3.180 12.728 1.224 1.00 0.00 H new ATOM 79 N PRO A 6 -2.635 10.366 -3.822 1.00 0.00 N ATOM 80 CA PRO A 6 -2.106 9.238 -4.615 1.00 0.00 C ATOM 81 C PRO A 6 -0.881 8.573 -3.954 1.00 0.00 C ATOM 82 O PRO A 6 -0.296 9.154 -3.035 1.00 0.00 O ATOM 83 CB PRO A 6 -1.700 9.887 -5.953 1.00 0.00 C ATOM 84 CG PRO A 6 -2.161 11.308 -5.883 1.00 0.00 C ATOM 85 CD PRO A 6 -2.238 11.651 -4.427 1.00 0.00 C ATOM 0 HA PRO A 6 -2.844 8.442 -4.718 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -0.621 9.834 -6.100 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -2.162 9.369 -6.793 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -1.467 11.969 -6.402 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -3.133 11.426 -6.363 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -1.282 12.004 -4.041 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -2.969 12.435 -4.232 1.00 0.00 H new ATOM 93 N PRO A 7 -0.464 7.342 -4.407 1.00 0.00 N ATOM 94 CA PRO A 7 0.702 6.618 -3.845 1.00 0.00 C ATOM 95 C PRO A 7 1.996 7.441 -3.863 1.00 0.00 C ATOM 96 O PRO A 7 2.301 8.105 -4.858 1.00 0.00 O ATOM 97 CB PRO A 7 0.815 5.393 -4.769 1.00 0.00 C ATOM 98 CG PRO A 7 0.097 5.780 -6.002 1.00 0.00 C ATOM 99 CD PRO A 7 -1.073 6.541 -5.492 1.00 0.00 C ATOM 0 HA PRO A 7 0.563 6.375 -2.792 1.00 0.00 H new ATOM 0 HB2 PRO A 7 1.857 5.150 -4.978 1.00 0.00 H new ATOM 0 HB3 PRO A 7 0.368 4.510 -4.312 1.00 0.00 H new ATOM 0 HG2 PRO A 7 0.720 6.391 -6.655 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -0.211 4.908 -6.579 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -1.519 7.169 -6.263 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -1.859 5.883 -5.122 1.00 0.00 H new ATOM 107 N TYR A 8 2.734 7.401 -2.746 1.00 0.00 N ATOM 108 CA TYR A 8 3.981 8.156 -2.616 1.00 0.00 C ATOM 109 C TYR A 8 5.219 7.290 -2.947 1.00 0.00 C ATOM 110 O TYR A 8 6.311 7.517 -2.410 1.00 0.00 O ATOM 111 CB TYR A 8 4.067 8.781 -1.199 1.00 0.00 C ATOM 112 CG TYR A 8 5.213 9.771 -0.972 1.00 0.00 C ATOM 113 CD1 TYR A 8 5.811 10.460 -2.030 1.00 0.00 C ATOM 114 CD2 TYR A 8 5.701 10.001 0.309 1.00 0.00 C ATOM 115 CE1 TYR A 8 6.850 11.343 -1.815 1.00 0.00 C ATOM 116 CE2 TYR A 8 6.742 10.885 0.532 1.00 0.00 C ATOM 117 CZ TYR A 8 7.313 11.552 -0.533 1.00 0.00 C ATOM 118 OH TYR A 8 8.349 12.430 -0.314 1.00 0.00 O ATOM 0 H TYR A 8 2.487 6.854 -1.922 1.00 0.00 H new ATOM 0 HA TYR A 8 3.976 8.963 -3.349 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.126 9.290 -0.990 1.00 0.00 H new ATOM 0 HB3 TYR A 8 4.161 7.974 -0.472 1.00 0.00 H new ATOM 0 HD1 TYR A 8 5.453 10.299 -3.036 1.00 0.00 H new ATOM 0 HD2 TYR A 8 5.260 9.480 1.146 1.00 0.00 H new ATOM 0 HE1 TYR A 8 7.298 11.867 -2.646 1.00 0.00 H new ATOM 0 HE2 TYR A 8 7.106 11.052 1.535 1.00 0.00 H new ATOM 0 HH TYR A 8 8.104 13.053 0.401 1.00 0.00 H new ATOM 128 N THR A 9 5.030 6.283 -3.825 1.00 0.00 N ATOM 129 CA THR A 9 6.101 5.342 -4.255 1.00 0.00 C ATOM 130 C THR A 9 7.407 6.047 -4.709 1.00 0.00 C ATOM 131 O THR A 9 8.404 5.368 -4.980 1.00 0.00 O ATOM 132 CB THR A 9 5.581 4.462 -5.402 1.00 0.00 C ATOM 133 OG1 THR A 9 4.307 3.927 -5.086 1.00 0.00 O ATOM 134 CG2 THR A 9 6.490 3.285 -5.746 1.00 0.00 C ATOM 0 H THR A 9 4.128 6.094 -4.261 1.00 0.00 H new ATOM 0 HA THR A 9 6.353 4.743 -3.380 1.00 0.00 H new ATOM 0 HB THR A 9 5.540 5.129 -6.263 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.992 3.371 -5.829 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.052 2.714 -6.565 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.469 3.657 -6.046 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.599 2.642 -4.873 1.00 0.00 H new ATOM 142 N GLY A 10 7.390 7.394 -4.760 1.00 0.00 N ATOM 143 CA GLY A 10 8.569 8.196 -5.145 1.00 0.00 C ATOM 144 C GLY A 10 9.889 7.481 -4.835 1.00 0.00 C ATOM 145 O GLY A 10 10.028 6.972 -3.723 1.00 0.00 O ATOM 0 H GLY A 10 6.566 7.953 -4.538 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.521 8.419 -6.211 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.544 9.150 -4.619 1.00 0.00 H new ATOM 149 N PRO A 11 10.866 7.405 -5.803 1.00 0.00 N ATOM 150 CA PRO A 11 12.166 6.723 -5.661 1.00 0.00 C ATOM 151 C PRO A 11 12.608 6.401 -4.216 1.00 0.00 C ATOM 152 O PRO A 11 13.453 7.090 -3.630 1.00 0.00 O ATOM 153 CB PRO A 11 13.086 7.729 -6.350 1.00 0.00 C ATOM 154 CG PRO A 11 12.252 8.307 -7.461 1.00 0.00 C ATOM 155 CD PRO A 11 10.800 7.978 -7.160 1.00 0.00 C ATOM 0 HA PRO A 11 12.158 5.720 -6.087 1.00 0.00 H new ATOM 0 HB2 PRO A 11 13.416 8.504 -5.658 1.00 0.00 H new ATOM 0 HB3 PRO A 11 13.983 7.245 -6.738 1.00 0.00 H new ATOM 0 HG2 PRO A 11 12.395 9.386 -7.527 1.00 0.00 H new ATOM 0 HG3 PRO A 11 12.549 7.887 -8.422 1.00 0.00 H new ATOM 0 HD2 PRO A 11 10.169 8.866 -7.193 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.389 7.269 -7.878 1.00 0.00 H new ATOM 163 N CYS A 12 12.004 5.334 -3.659 1.00 0.00 N ATOM 164 CA CYS A 12 12.299 4.888 -2.291 1.00 0.00 C ATOM 165 C CYS A 12 12.501 3.367 -2.230 1.00 0.00 C ATOM 166 O CYS A 12 12.332 2.669 -3.235 1.00 0.00 O ATOM 167 CB CYS A 12 11.165 5.305 -1.343 1.00 0.00 C ATOM 168 SG CYS A 12 11.082 7.092 -1.006 1.00 0.00 S ATOM 0 H CYS A 12 11.307 4.766 -4.140 1.00 0.00 H new ATOM 0 HA CYS A 12 13.227 5.365 -1.976 1.00 0.00 H new ATOM 0 HB2 CYS A 12 10.215 4.984 -1.770 1.00 0.00 H new ATOM 0 HB3 CYS A 12 11.285 4.775 -0.398 1.00 0.00 H new ATOM 173 N LYS A 13 12.849 2.864 -1.030 1.00 0.00 N ATOM 174 CA LYS A 13 13.063 1.429 -0.800 1.00 0.00 C ATOM 175 C LYS A 13 11.731 0.751 -0.444 1.00 0.00 C ATOM 176 O LYS A 13 11.586 0.101 0.601 1.00 0.00 O ATOM 177 CB LYS A 13 14.111 1.211 0.306 1.00 0.00 C ATOM 178 CG LYS A 13 15.524 1.652 -0.077 1.00 0.00 C ATOM 179 CD LYS A 13 16.536 1.418 1.048 1.00 0.00 C ATOM 180 CE LYS A 13 17.013 -0.034 1.127 1.00 0.00 C ATOM 181 NZ LYS A 13 17.815 -0.435 -0.065 1.00 0.00 N ATOM 0 H LYS A 13 12.988 3.440 -0.200 1.00 0.00 H new ATOM 0 HA LYS A 13 13.445 0.975 -1.714 1.00 0.00 H new ATOM 0 HB2 LYS A 13 13.801 1.756 1.198 1.00 0.00 H new ATOM 0 HB3 LYS A 13 14.131 0.154 0.569 1.00 0.00 H new ATOM 0 HG2 LYS A 13 15.842 1.108 -0.967 1.00 0.00 H new ATOM 0 HG3 LYS A 13 15.513 2.710 -0.337 1.00 0.00 H new ATOM 0 HD2 LYS A 13 17.396 2.070 0.897 1.00 0.00 H new ATOM 0 HD3 LYS A 13 16.085 1.699 2.000 1.00 0.00 H new ATOM 0 HE2 LYS A 13 17.613 -0.168 2.027 1.00 0.00 H new ATOM 0 HE3 LYS A 13 16.149 -0.693 1.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 18.336 -1.310 0.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 17.180 -0.596 -0.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 18.489 0.321 -0.300 1.00 0.00 H new ATOM 195 N ALA A 14 10.760 0.933 -1.344 1.00 0.00 N ATOM 196 CA ALA A 14 9.412 0.379 -1.185 1.00 0.00 C ATOM 197 C ALA A 14 9.349 -1.096 -1.597 1.00 0.00 C ATOM 198 O ALA A 14 9.523 -1.437 -2.773 1.00 0.00 O ATOM 199 CB ALA A 14 8.410 1.208 -1.975 1.00 0.00 C ATOM 0 H ALA A 14 10.886 1.468 -2.203 1.00 0.00 H new ATOM 0 HA ALA A 14 9.153 0.426 -0.127 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.412 0.788 -1.850 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.420 2.235 -1.610 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.680 1.195 -3.031 1.00 0.00 H new ATOM 205 N ARG A 15 9.103 -1.957 -0.603 1.00 0.00 N ATOM 206 CA ARG A 15 9.012 -3.406 -0.811 1.00 0.00 C ATOM 207 C ARG A 15 7.776 -3.984 -0.092 1.00 0.00 C ATOM 208 O ARG A 15 7.778 -5.123 0.387 1.00 0.00 O ATOM 209 CB ARG A 15 10.345 -4.077 -0.352 1.00 0.00 C ATOM 210 CG ARG A 15 10.323 -5.607 -0.164 1.00 0.00 C ATOM 211 CD ARG A 15 10.013 -6.372 -1.452 1.00 0.00 C ATOM 212 NE ARG A 15 8.602 -6.243 -1.846 1.00 0.00 N ATOM 213 CZ ARG A 15 8.050 -6.823 -2.921 1.00 0.00 C ATOM 214 NH1 ARG A 15 8.772 -7.590 -3.738 1.00 0.00 N ATOM 215 NH2 ARG A 15 6.763 -6.634 -3.180 1.00 0.00 N ATOM 0 H ARG A 15 8.962 -1.670 0.365 1.00 0.00 H new ATOM 0 HA ARG A 15 8.878 -3.622 -1.871 1.00 0.00 H new ATOM 0 HB2 ARG A 15 11.117 -3.835 -1.083 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.647 -3.623 0.592 1.00 0.00 H new ATOM 0 HG2 ARG A 15 11.290 -5.933 0.220 1.00 0.00 H new ATOM 0 HG3 ARG A 15 9.578 -5.863 0.590 1.00 0.00 H new ATOM 0 HD2 ARG A 15 10.649 -6.001 -2.256 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.256 -7.426 -1.315 1.00 0.00 H new ATOM 0 HE ARG A 15 7.998 -5.669 -1.257 1.00 0.00 H new ATOM 0 HH11 ARG A 15 9.763 -7.744 -3.550 1.00 0.00 H new ATOM 0 HH12 ARG A 15 8.334 -8.023 -4.551 1.00 0.00 H new ATOM 0 HH21 ARG A 15 6.199 -6.050 -2.563 1.00 0.00 H new ATOM 0 HH22 ARG A 15 6.337 -7.073 -3.997 1.00 0.00 H new ATOM 229 N ILE A 16 6.716 -3.189 -0.034 1.00 0.00 N ATOM 230 CA ILE A 16 5.461 -3.593 0.613 1.00 0.00 C ATOM 231 C ILE A 16 4.296 -2.801 0.006 1.00 0.00 C ATOM 232 O ILE A 16 4.215 -1.584 0.173 1.00 0.00 O ATOM 233 CB ILE A 16 5.541 -3.385 2.164 1.00 0.00 C ATOM 234 CG1 ILE A 16 6.455 -4.450 2.816 1.00 0.00 C ATOM 235 CG2 ILE A 16 4.152 -3.402 2.820 1.00 0.00 C ATOM 236 CD1 ILE A 16 7.068 -4.025 4.141 1.00 0.00 C ATOM 0 H ILE A 16 6.695 -2.249 -0.430 1.00 0.00 H new ATOM 0 HA ILE A 16 5.293 -4.655 0.436 1.00 0.00 H new ATOM 0 HB ILE A 16 5.973 -2.399 2.332 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.877 -5.361 2.972 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.257 -4.697 2.121 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.255 -3.254 3.895 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.542 -2.602 2.401 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.672 -4.362 2.630 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.693 -4.830 4.527 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.676 -3.133 3.991 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.274 -3.807 4.856 1.00 0.00 H new ATOM 248 N ILE A 17 3.399 -3.509 -0.691 1.00 0.00 N ATOM 249 CA ILE A 17 2.224 -2.903 -1.336 1.00 0.00 C ATOM 250 C ILE A 17 1.035 -2.930 -0.380 1.00 0.00 C ATOM 251 O ILE A 17 0.523 -3.985 0.007 1.00 0.00 O ATOM 252 CB ILE A 17 1.882 -3.644 -2.683 1.00 0.00 C ATOM 253 CG1 ILE A 17 3.036 -3.530 -3.697 1.00 0.00 C ATOM 254 CG2 ILE A 17 0.594 -3.130 -3.329 1.00 0.00 C ATOM 255 CD1 ILE A 17 4.132 -4.565 -3.519 1.00 0.00 C ATOM 0 H ILE A 17 3.466 -4.518 -0.825 1.00 0.00 H new ATOM 0 HA ILE A 17 2.452 -1.865 -1.578 1.00 0.00 H new ATOM 0 HB ILE A 17 1.734 -4.690 -2.415 1.00 0.00 H new ATOM 0 HG12 ILE A 17 2.629 -3.620 -4.704 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.476 -2.536 -3.618 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.408 -3.676 -4.254 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.241 -3.280 -2.645 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.696 -2.067 -3.550 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.903 -4.412 -4.274 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.570 -4.464 -2.526 1.00 0.00 H new ATOM 0 HD13 ILE A 17 3.710 -5.564 -3.629 1.00 0.00 H new ATOM 267 N ARG A 18 0.637 -1.722 -0.039 1.00 0.00 N ATOM 268 CA ARG A 18 -0.467 -1.434 0.849 1.00 0.00 C ATOM 269 C ARG A 18 -1.717 -1.041 0.031 1.00 0.00 C ATOM 270 O ARG A 18 -1.828 -1.432 -1.134 1.00 0.00 O ATOM 271 CB ARG A 18 0.011 -0.301 1.754 1.00 0.00 C ATOM 272 CG ARG A 18 0.805 -0.747 2.987 1.00 0.00 C ATOM 273 CD ARG A 18 -0.059 -1.428 4.052 1.00 0.00 C ATOM 274 NE ARG A 18 -0.513 -2.762 3.635 1.00 0.00 N ATOM 275 CZ ARG A 18 -1.216 -3.606 4.405 1.00 0.00 C ATOM 276 NH1 ARG A 18 -1.545 -3.285 5.654 1.00 0.00 N ATOM 277 NH2 ARG A 18 -1.584 -4.783 3.918 1.00 0.00 N ATOM 0 H ARG A 18 1.094 -0.880 -0.388 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.757 -2.298 1.446 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.631 0.376 1.166 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.857 0.269 2.086 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.592 -1.433 2.675 1.00 0.00 H new ATOM 0 HG3 ARG A 18 1.295 0.121 3.428 1.00 0.00 H new ATOM 0 HD2 ARG A 18 0.510 -1.514 4.978 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -0.926 -0.803 4.267 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.276 -3.068 2.691 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.262 -2.384 6.040 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.080 -3.940 6.225 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -1.332 -5.041 2.964 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.119 -5.430 4.497 1.00 0.00 H new ATOM 291 N TYR A 19 -2.657 -0.288 0.636 1.00 0.00 N ATOM 292 CA TYR A 19 -3.886 0.128 -0.060 1.00 0.00 C ATOM 293 C TYR A 19 -4.064 1.654 -0.059 1.00 0.00 C ATOM 294 O TYR A 19 -3.437 2.364 0.737 1.00 0.00 O ATOM 295 CB TYR A 19 -5.122 -0.526 0.580 1.00 0.00 C ATOM 296 CG TYR A 19 -5.269 -2.021 0.356 1.00 0.00 C ATOM 297 CD1 TYR A 19 -4.281 -2.920 0.748 1.00 0.00 C ATOM 298 CD2 TYR A 19 -6.425 -2.530 -0.220 1.00 0.00 C ATOM 299 CE1 TYR A 19 -4.441 -4.281 0.565 1.00 0.00 C ATOM 300 CE2 TYR A 19 -6.596 -3.891 -0.401 1.00 0.00 C ATOM 301 CZ TYR A 19 -5.601 -4.762 -0.006 1.00 0.00 C ATOM 302 OH TYR A 19 -5.767 -6.116 -0.184 1.00 0.00 O ATOM 0 H TYR A 19 -2.588 0.042 1.599 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.787 -0.204 -1.094 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.093 -0.340 1.654 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -6.013 -0.030 0.194 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.375 -2.548 1.203 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -7.205 -1.851 -0.532 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.661 -4.964 0.868 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -7.503 -4.270 -0.849 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.639 -6.287 -0.598 1.00 0.00 H new ATOM 312 N PHE A 20 -5.004 2.122 -0.908 1.00 0.00 N ATOM 313 CA PHE A 20 -5.381 3.546 -1.000 1.00 0.00 C ATOM 314 C PHE A 20 -6.739 3.692 -1.723 1.00 0.00 C ATOM 315 O PHE A 20 -7.263 2.710 -2.259 1.00 0.00 O ATOM 316 CB PHE A 20 -4.252 4.409 -1.636 1.00 0.00 C ATOM 317 CG PHE A 20 -4.145 4.386 -3.137 1.00 0.00 C ATOM 318 CD1 PHE A 20 -3.670 3.272 -3.811 1.00 0.00 C ATOM 319 CD2 PHE A 20 -4.520 5.496 -3.869 1.00 0.00 C ATOM 320 CE1 PHE A 20 -3.577 3.268 -5.188 1.00 0.00 C ATOM 321 CE2 PHE A 20 -4.429 5.499 -5.240 1.00 0.00 C ATOM 322 CZ PHE A 20 -3.959 4.384 -5.904 1.00 0.00 C ATOM 0 H PHE A 20 -5.522 1.521 -1.549 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.507 3.938 0.009 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -4.396 5.443 -1.321 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.299 4.080 -1.222 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.369 2.398 -3.253 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.889 6.372 -3.357 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -3.206 2.394 -5.703 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.725 6.375 -5.799 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.890 4.385 -6.982 1.00 0.00 H new ATOM 332 N TYR A 21 -7.304 4.909 -1.719 1.00 0.00 N ATOM 333 CA TYR A 21 -8.608 5.178 -2.350 1.00 0.00 C ATOM 334 C TYR A 21 -8.470 6.158 -3.530 1.00 0.00 C ATOM 335 O TYR A 21 -8.209 7.348 -3.321 1.00 0.00 O ATOM 336 CB TYR A 21 -9.569 5.759 -1.274 1.00 0.00 C ATOM 337 CG TYR A 21 -11.028 5.990 -1.685 1.00 0.00 C ATOM 338 CD1 TYR A 21 -11.367 6.777 -2.786 1.00 0.00 C ATOM 339 CD2 TYR A 21 -12.066 5.460 -0.927 1.00 0.00 C ATOM 340 CE1 TYR A 21 -12.684 7.020 -3.117 1.00 0.00 C ATOM 341 CE2 TYR A 21 -13.388 5.693 -1.257 1.00 0.00 C ATOM 342 CZ TYR A 21 -13.692 6.475 -2.351 1.00 0.00 C ATOM 343 OH TYR A 21 -15.007 6.713 -2.678 1.00 0.00 O ATOM 0 H TYR A 21 -6.877 5.727 -1.284 1.00 0.00 H new ATOM 0 HA TYR A 21 -9.010 4.246 -2.749 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -9.563 5.085 -0.417 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -9.160 6.710 -0.935 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -10.582 7.205 -3.392 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -11.835 4.854 -0.063 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -12.924 7.634 -3.972 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -14.179 5.264 -0.660 1.00 0.00 H new ATOM 0 HH TYR A 21 -15.219 6.267 -3.524 1.00 0.00 H new ATOM 353 N ASN A 22 -8.616 5.651 -4.773 1.00 0.00 N ATOM 354 CA ASN A 22 -8.478 6.488 -5.963 1.00 0.00 C ATOM 355 C ASN A 22 -9.705 7.359 -6.195 1.00 0.00 C ATOM 356 O ASN A 22 -10.705 6.925 -6.793 1.00 0.00 O ATOM 357 CB ASN A 22 -8.270 5.640 -7.217 1.00 0.00 C ATOM 358 CG ASN A 22 -6.911 4.992 -7.313 1.00 0.00 C ATOM 359 OD1 ASN A 22 -5.933 5.643 -7.678 1.00 0.00 O ATOM 360 ND2 ASN A 22 -6.839 3.708 -6.986 1.00 0.00 N ATOM 0 H ASN A 22 -8.828 4.672 -4.968 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.609 7.120 -5.782 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -9.033 4.862 -7.245 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -8.422 6.268 -8.095 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.945 3.219 -7.032 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.678 3.210 -6.689 1.00 0.00 H new ATOM 367 N ALA A 23 -9.602 8.610 -5.744 1.00 0.00 N ATOM 368 CA ALA A 23 -10.670 9.586 -5.926 1.00 0.00 C ATOM 369 C ALA A 23 -10.667 10.101 -7.377 1.00 0.00 C ATOM 370 O ALA A 23 -11.191 11.181 -7.678 1.00 0.00 O ATOM 371 CB ALA A 23 -10.518 10.724 -4.923 1.00 0.00 C ATOM 0 H ALA A 23 -8.786 8.969 -5.249 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.633 9.111 -5.742 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.321 11.447 -5.068 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -10.568 10.325 -3.910 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -9.556 11.215 -5.073 1.00 0.00 H new ATOM 377 N LYS A 24 -10.108 9.267 -8.280 1.00 0.00 N ATOM 378 CA LYS A 24 -10.065 9.565 -9.710 1.00 0.00 C ATOM 379 C LYS A 24 -11.212 8.812 -10.384 1.00 0.00 C ATOM 380 O LYS A 24 -11.889 9.339 -11.272 1.00 0.00 O ATOM 381 CB LYS A 24 -8.699 9.154 -10.300 1.00 0.00 C ATOM 382 CG LYS A 24 -8.321 9.853 -11.612 1.00 0.00 C ATOM 383 CD LYS A 24 -8.970 9.202 -12.829 1.00 0.00 C ATOM 384 CE LYS A 24 -8.580 9.914 -14.115 1.00 0.00 C ATOM 385 NZ LYS A 24 -9.210 9.287 -15.310 1.00 0.00 N ATOM 0 H LYS A 24 -9.679 8.376 -8.031 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.182 10.635 -9.883 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.925 9.359 -9.561 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.702 8.077 -10.468 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.620 10.900 -11.561 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.237 9.836 -11.730 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.671 8.155 -12.886 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.054 9.218 -12.717 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.878 10.961 -14.055 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.496 9.897 -14.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.919 9.801 -16.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.906 8.295 -15.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.245 9.326 -15.217 1.00 0.00 H new ATOM 399 N ALA A 25 -11.413 7.576 -9.915 1.00 0.00 N ATOM 400 CA ALA A 25 -12.465 6.701 -10.404 1.00 0.00 C ATOM 401 C ALA A 25 -13.554 6.549 -9.342 1.00 0.00 C ATOM 402 O ALA A 25 -14.736 6.751 -9.634 1.00 0.00 O ATOM 403 CB ALA A 25 -11.883 5.349 -10.791 1.00 0.00 C ATOM 0 H ALA A 25 -10.842 7.159 -9.180 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.916 7.142 -11.293 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -12.680 4.701 -11.156 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.138 5.485 -11.575 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.414 4.892 -9.920 1.00 0.00 H new ATOM 409 N GLY A 26 -13.147 6.192 -8.107 1.00 0.00 N ATOM 410 CA GLY A 26 -14.099 6.020 -7.018 1.00 0.00 C ATOM 411 C GLY A 26 -13.721 4.888 -6.071 1.00 0.00 C ATOM 412 O GLY A 26 -13.987 4.970 -4.871 1.00 0.00 O ATOM 0 H GLY A 26 -12.174 6.021 -7.852 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.170 6.950 -6.454 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -15.087 5.824 -7.434 1.00 0.00 H new ATOM 416 N LEU A 27 -13.136 3.818 -6.624 1.00 0.00 N ATOM 417 CA LEU A 27 -12.751 2.634 -5.841 1.00 0.00 C ATOM 418 C LEU A 27 -11.338 2.738 -5.228 1.00 0.00 C ATOM 419 O LEU A 27 -10.552 3.638 -5.565 1.00 0.00 O ATOM 420 CB LEU A 27 -12.889 1.358 -6.711 1.00 0.00 C ATOM 421 CG LEU A 27 -12.203 1.374 -8.095 1.00 0.00 C ATOM 422 CD1 LEU A 27 -10.723 1.018 -7.991 1.00 0.00 C ATOM 423 CD2 LEU A 27 -12.911 0.419 -9.044 1.00 0.00 C ATOM 0 H LEU A 27 -12.917 3.747 -7.618 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.436 2.574 -4.996 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.489 0.517 -6.145 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.951 1.164 -6.862 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.273 2.387 -8.491 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.273 1.039 -8.984 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.219 1.740 -7.349 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.618 0.020 -7.566 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.418 0.440 -10.016 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -12.872 -0.592 -8.639 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.951 0.724 -9.158 1.00 0.00 H new ATOM 435 N CYS A 28 -11.040 1.786 -4.328 1.00 0.00 N ATOM 436 CA CYS A 28 -9.747 1.707 -3.650 1.00 0.00 C ATOM 437 C CYS A 28 -8.854 0.677 -4.329 1.00 0.00 C ATOM 438 O CYS A 28 -9.327 -0.391 -4.729 1.00 0.00 O ATOM 439 CB CYS A 28 -9.933 1.320 -2.180 1.00 0.00 C ATOM 440 SG CYS A 28 -10.696 2.612 -1.154 1.00 0.00 S ATOM 0 H CYS A 28 -11.693 1.052 -4.054 1.00 0.00 H new ATOM 0 HA CYS A 28 -9.276 2.689 -3.706 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -10.548 0.422 -2.128 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -8.961 1.065 -1.758 1.00 0.00 H new ATOM 445 N GLN A 29 -7.565 1.004 -4.453 1.00 0.00 N ATOM 446 CA GLN A 29 -6.592 0.113 -5.081 1.00 0.00 C ATOM 447 C GLN A 29 -5.335 -0.005 -4.233 1.00 0.00 C ATOM 448 O GLN A 29 -5.081 0.831 -3.359 1.00 0.00 O ATOM 449 CB GLN A 29 -6.234 0.603 -6.487 1.00 0.00 C ATOM 450 CG GLN A 29 -7.238 0.178 -7.542 1.00 0.00 C ATOM 451 CD GLN A 29 -6.890 0.689 -8.928 1.00 0.00 C ATOM 452 OE1 GLN A 29 -6.836 1.897 -9.164 1.00 0.00 O ATOM 453 NE2 GLN A 29 -6.652 -0.233 -9.854 1.00 0.00 N ATOM 0 H GLN A 29 -7.171 1.886 -4.124 1.00 0.00 H new ATOM 0 HA GLN A 29 -7.049 -0.874 -5.161 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.164 1.691 -6.479 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.249 0.222 -6.758 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -7.295 -0.910 -7.565 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -8.227 0.543 -7.263 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -6.708 -1.223 -9.614 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -6.413 0.049 -10.805 1.00 0.00 H new ATOM 462 N THR A 30 -4.588 -1.088 -4.456 1.00 0.00 N ATOM 463 CA THR A 30 -3.377 -1.375 -3.683 1.00 0.00 C ATOM 464 C THR A 30 -2.118 -0.689 -4.230 1.00 0.00 C ATOM 465 O THR A 30 -1.696 -0.935 -5.365 1.00 0.00 O ATOM 466 CB THR A 30 -3.131 -2.887 -3.613 1.00 0.00 C ATOM 467 OG1 THR A 30 -3.081 -3.452 -4.913 1.00 0.00 O ATOM 468 CG2 THR A 30 -4.180 -3.643 -2.826 1.00 0.00 C ATOM 0 H THR A 30 -4.802 -1.785 -5.170 1.00 0.00 H new ATOM 0 HA THR A 30 -3.560 -0.968 -2.689 1.00 0.00 H new ATOM 0 HB THR A 30 -2.176 -2.990 -3.097 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.589 -2.852 -5.512 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.936 -4.705 -2.822 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.203 -3.272 -1.801 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.157 -3.496 -3.287 1.00 0.00 H new ATOM 476 N PHE A 31 -1.503 0.124 -3.367 1.00 0.00 N ATOM 477 CA PHE A 31 -0.250 0.812 -3.679 1.00 0.00 C ATOM 478 C PHE A 31 0.845 0.240 -2.763 1.00 0.00 C ATOM 479 O PHE A 31 0.541 -0.603 -1.943 1.00 0.00 O ATOM 480 CB PHE A 31 -0.388 2.356 -3.539 1.00 0.00 C ATOM 481 CG PHE A 31 -0.570 2.932 -2.135 1.00 0.00 C ATOM 482 CD1 PHE A 31 -0.432 2.157 -0.987 1.00 0.00 C ATOM 483 CD2 PHE A 31 -0.857 4.278 -1.984 1.00 0.00 C ATOM 484 CE1 PHE A 31 -0.579 2.710 0.264 1.00 0.00 C ATOM 485 CE2 PHE A 31 -1.002 4.838 -0.729 1.00 0.00 C ATOM 486 CZ PHE A 31 -0.862 4.053 0.397 1.00 0.00 C ATOM 0 H PHE A 31 -1.861 0.323 -2.433 1.00 0.00 H new ATOM 0 HA PHE A 31 0.020 0.638 -4.721 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.500 2.812 -3.975 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.238 2.672 -4.143 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.206 1.105 -1.080 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.969 4.900 -2.860 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.473 2.092 1.143 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.225 5.890 -0.630 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.974 4.489 1.379 1.00 0.00 H new ATOM 496 N VAL A 32 2.089 0.702 -2.884 1.00 0.00 N ATOM 497 CA VAL A 32 3.206 0.233 -2.063 1.00 0.00 C ATOM 498 C VAL A 32 3.363 1.107 -0.791 1.00 0.00 C ATOM 499 O VAL A 32 2.436 1.814 -0.389 1.00 0.00 O ATOM 500 CB VAL A 32 4.510 0.215 -2.955 1.00 0.00 C ATOM 501 CG1 VAL A 32 5.108 1.606 -3.154 1.00 0.00 C ATOM 502 CG2 VAL A 32 5.553 -0.761 -2.418 1.00 0.00 C ATOM 0 H VAL A 32 2.353 1.419 -3.560 1.00 0.00 H new ATOM 0 HA VAL A 32 3.016 -0.780 -1.708 1.00 0.00 H new ATOM 0 HB VAL A 32 4.198 -0.138 -3.938 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.001 1.533 -3.774 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.377 2.249 -3.645 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.373 2.030 -2.185 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.433 -0.742 -3.060 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.836 -0.471 -1.406 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.136 -1.768 -2.404 1.00 0.00 H new ATOM 512 N TYR A 33 4.564 1.064 -0.207 1.00 0.00 N ATOM 513 CA TYR A 33 4.941 1.844 0.977 1.00 0.00 C ATOM 514 C TYR A 33 6.436 1.642 1.238 1.00 0.00 C ATOM 515 O TYR A 33 6.870 0.544 1.604 1.00 0.00 O ATOM 516 CB TYR A 33 4.112 1.458 2.227 1.00 0.00 C ATOM 517 CG TYR A 33 4.416 2.298 3.458 1.00 0.00 C ATOM 518 CD1 TYR A 33 4.027 3.635 3.548 1.00 0.00 C ATOM 519 CD2 TYR A 33 5.116 1.748 4.519 1.00 0.00 C ATOM 520 CE1 TYR A 33 4.328 4.390 4.668 1.00 0.00 C ATOM 521 CE2 TYR A 33 5.416 2.499 5.640 1.00 0.00 C ATOM 522 CZ TYR A 33 5.022 3.813 5.710 1.00 0.00 C ATOM 523 OH TYR A 33 5.322 4.552 6.826 1.00 0.00 O ATOM 0 H TYR A 33 5.320 0.472 -0.552 1.00 0.00 H new ATOM 0 HA TYR A 33 4.729 2.895 0.781 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.052 1.551 1.990 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.295 0.409 2.462 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.483 4.087 2.732 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.432 0.717 4.470 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.021 5.424 4.725 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.960 2.053 6.460 1.00 0.00 H new ATOM 0 HH TYR A 33 5.813 3.995 7.465 1.00 0.00 H new ATOM 533 N GLY A 34 7.212 2.710 1.031 1.00 0.00 N ATOM 534 CA GLY A 34 8.652 2.646 1.231 1.00 0.00 C ATOM 535 C GLY A 34 9.069 3.062 2.629 1.00 0.00 C ATOM 536 O GLY A 34 8.291 3.688 3.355 1.00 0.00 O ATOM 0 H GLY A 34 6.865 3.620 0.727 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.996 1.629 1.041 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.145 3.290 0.503 1.00 0.00 H new ATOM 540 N GLY A 35 10.303 2.706 2.999 1.00 0.00 N ATOM 541 CA GLY A 35 10.826 3.041 4.317 1.00 0.00 C ATOM 542 C GLY A 35 11.567 4.369 4.346 1.00 0.00 C ATOM 543 O GLY A 35 12.447 4.569 5.190 1.00 0.00 O ATOM 0 H GLY A 35 10.951 2.189 2.405 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.002 3.076 5.030 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.499 2.249 4.646 1.00 0.00 H new ATOM 547 N CYS A 36 11.208 5.276 3.427 1.00 0.00 N ATOM 548 CA CYS A 36 11.836 6.595 3.347 1.00 0.00 C ATOM 549 C CYS A 36 11.014 7.643 4.103 1.00 0.00 C ATOM 550 O CYS A 36 11.558 8.378 4.933 1.00 0.00 O ATOM 551 CB CYS A 36 12.028 7.015 1.882 1.00 0.00 C ATOM 552 SG CYS A 36 10.479 7.179 0.932 1.00 0.00 S ATOM 0 H CYS A 36 10.483 5.116 2.728 1.00 0.00 H new ATOM 0 HA CYS A 36 12.816 6.530 3.819 1.00 0.00 H new ATOM 0 HB2 CYS A 36 12.557 7.968 1.857 1.00 0.00 H new ATOM 0 HB3 CYS A 36 12.666 6.283 1.388 1.00 0.00 H new ATOM 557 N ARG A 37 9.703 7.705 3.808 1.00 0.00 N ATOM 558 CA ARG A 37 8.794 8.662 4.453 1.00 0.00 C ATOM 559 C ARG A 37 7.404 8.064 4.652 1.00 0.00 C ATOM 560 O ARG A 37 6.880 7.375 3.771 1.00 0.00 O ATOM 561 CB ARG A 37 8.673 9.955 3.629 1.00 0.00 C ATOM 562 CG ARG A 37 9.933 10.811 3.619 1.00 0.00 C ATOM 563 CD ARG A 37 9.744 12.075 2.784 1.00 0.00 C ATOM 564 NE ARG A 37 10.948 12.928 2.752 1.00 0.00 N ATOM 565 CZ ARG A 37 11.408 13.661 3.783 1.00 0.00 C ATOM 566 NH1 ARG A 37 10.780 13.669 4.958 1.00 0.00 N ATOM 567 NH2 ARG A 37 12.505 14.390 3.630 1.00 0.00 N ATOM 0 H ARG A 37 9.250 7.099 3.123 1.00 0.00 H new ATOM 0 HA ARG A 37 9.222 8.896 5.428 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.416 9.695 2.602 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.848 10.548 4.024 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.196 11.085 4.641 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.765 10.231 3.220 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.476 11.795 1.765 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.909 12.649 3.186 1.00 0.00 H new ATOM 0 HE ARG A 37 11.474 12.965 1.879 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.935 13.113 5.088 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.144 14.231 5.727 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.995 14.393 2.735 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.859 14.948 4.407 1.00 0.00 H new ATOM 581 N ALA A 38 6.811 8.358 5.814 1.00 0.00 N ATOM 582 CA ALA A 38 5.471 7.892 6.164 1.00 0.00 C ATOM 583 C ALA A 38 4.455 9.009 5.921 1.00 0.00 C ATOM 584 O ALA A 38 4.553 10.081 6.530 1.00 0.00 O ATOM 585 CB ALA A 38 5.435 7.452 7.622 1.00 0.00 C ATOM 0 H ALA A 38 7.250 8.927 6.538 1.00 0.00 H new ATOM 0 HA ALA A 38 5.214 7.038 5.537 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.432 7.106 7.873 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.147 6.641 7.775 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.700 8.293 8.263 1.00 0.00 H new ATOM 591 N LYS A 39 3.495 8.767 5.022 1.00 0.00 N ATOM 592 CA LYS A 39 2.480 9.774 4.700 1.00 0.00 C ATOM 593 C LYS A 39 1.175 9.493 5.438 1.00 0.00 C ATOM 594 O LYS A 39 1.104 8.612 6.301 1.00 0.00 O ATOM 595 CB LYS A 39 2.201 9.814 3.187 1.00 0.00 C ATOM 596 CG LYS A 39 2.564 11.133 2.506 1.00 0.00 C ATOM 597 CD LYS A 39 1.548 12.237 2.796 1.00 0.00 C ATOM 598 CE LYS A 39 1.920 13.548 2.113 1.00 0.00 C ATOM 599 NZ LYS A 39 3.157 14.156 2.684 1.00 0.00 N ATOM 0 H LYS A 39 3.400 7.891 4.509 1.00 0.00 H new ATOM 0 HA LYS A 39 2.873 10.739 5.019 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.757 9.008 2.707 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.142 9.614 3.021 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.550 11.453 2.842 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.630 10.977 1.429 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.561 11.920 2.459 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.481 12.395 3.872 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.064 13.371 1.047 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.094 14.252 2.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.303 15.099 2.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.058 14.241 3.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.974 13.552 2.464 1.00 0.00 H new ATOM 613 N ARG A 40 0.145 10.256 5.066 1.00 0.00 N ATOM 614 CA ARG A 40 -1.188 10.124 5.650 1.00 0.00 C ATOM 615 C ARG A 40 -1.955 8.986 4.977 1.00 0.00 C ATOM 616 O ARG A 40 -2.148 7.932 5.591 1.00 0.00 O ATOM 617 CB ARG A 40 -1.971 11.454 5.565 1.00 0.00 C ATOM 618 CG ARG A 40 -1.371 12.608 6.371 1.00 0.00 C ATOM 619 CD ARG A 40 -1.618 12.461 7.869 1.00 0.00 C ATOM 620 NE ARG A 40 -1.038 13.571 8.634 1.00 0.00 N ATOM 621 CZ ARG A 40 -1.106 13.696 9.968 1.00 0.00 C ATOM 622 NH1 ARG A 40 -1.727 12.786 10.715 1.00 0.00 N ATOM 623 NH2 ARG A 40 -0.544 14.744 10.555 1.00 0.00 N ATOM 0 H ARG A 40 0.213 10.981 4.352 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.074 9.881 6.706 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.035 11.755 4.519 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.991 11.281 5.909 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.298 12.658 6.186 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.798 13.549 6.026 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.691 12.413 8.056 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.192 11.520 8.216 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.548 14.299 8.114 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.162 11.975 10.275 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.768 12.899 11.728 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.065 15.447 9.993 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.591 14.847 11.569 1.00 0.00 H new ATOM 637 N ASN A 41 -2.428 9.211 3.736 1.00 0.00 N ATOM 638 CA ASN A 41 -3.220 8.222 2.988 1.00 0.00 C ATOM 639 C ASN A 41 -2.555 6.837 2.921 1.00 0.00 C ATOM 640 O ASN A 41 -1.648 6.587 2.119 1.00 0.00 O ATOM 641 CB ASN A 41 -3.522 8.763 1.572 1.00 0.00 C ATOM 642 CG ASN A 41 -4.601 7.987 0.801 1.00 0.00 C ATOM 643 OD1 ASN A 41 -5.129 8.481 -0.194 1.00 0.00 O ATOM 644 ND2 ASN A 41 -4.916 6.765 1.232 1.00 0.00 N ATOM 0 H ASN A 41 -2.271 10.081 3.227 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.153 8.076 3.531 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -3.833 9.804 1.655 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -2.601 8.751 0.990 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.613 6.212 0.733 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.460 6.383 2.061 1.00 0.00 H new ATOM 651 N ASN A 42 -3.071 5.945 3.769 1.00 0.00 N ATOM 652 CA ASN A 42 -2.625 4.558 3.848 1.00 0.00 C ATOM 653 C ASN A 42 -3.791 3.679 4.252 1.00 0.00 C ATOM 654 O ASN A 42 -4.563 4.037 5.148 1.00 0.00 O ATOM 655 CB ASN A 42 -1.493 4.361 4.849 1.00 0.00 C ATOM 656 CG ASN A 42 -0.189 4.998 4.405 1.00 0.00 C ATOM 657 OD1 ASN A 42 0.361 4.651 3.360 1.00 0.00 O ATOM 658 ND2 ASN A 42 0.312 5.936 5.200 1.00 0.00 N ATOM 0 H ASN A 42 -3.818 6.171 4.426 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.248 4.285 2.862 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.788 4.783 5.810 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.335 3.294 5.004 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.186 6.400 4.953 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.177 6.193 6.057 1.00 0.00 H new ATOM 665 N PHE A 43 -3.923 2.538 3.579 1.00 0.00 N ATOM 666 CA PHE A 43 -5.021 1.617 3.868 1.00 0.00 C ATOM 667 C PHE A 43 -4.587 0.155 3.880 1.00 0.00 C ATOM 668 O PHE A 43 -3.646 -0.238 3.188 1.00 0.00 O ATOM 669 CB PHE A 43 -6.158 1.836 2.871 1.00 0.00 C ATOM 670 CG PHE A 43 -6.868 3.163 3.021 1.00 0.00 C ATOM 671 CD1 PHE A 43 -7.582 3.471 4.175 1.00 0.00 C ATOM 672 CD2 PHE A 43 -6.822 4.100 2.002 1.00 0.00 C ATOM 673 CE1 PHE A 43 -8.229 4.685 4.302 1.00 0.00 C ATOM 674 CE2 PHE A 43 -7.471 5.314 2.127 1.00 0.00 C ATOM 675 CZ PHE A 43 -8.174 5.607 3.277 1.00 0.00 C ATOM 0 H PHE A 43 -3.292 2.231 2.839 1.00 0.00 H new ATOM 0 HA PHE A 43 -5.370 1.839 4.876 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -5.758 1.763 1.860 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -6.886 1.033 2.985 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -7.631 2.753 4.980 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -6.272 3.879 1.099 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.778 4.912 5.204 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.428 6.034 1.323 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.680 6.556 3.375 1.00 0.00 H new ATOM 685 N LYS A 44 -5.294 -0.631 4.700 1.00 0.00 N ATOM 686 CA LYS A 44 -5.027 -2.062 4.860 1.00 0.00 C ATOM 687 C LYS A 44 -5.956 -2.918 3.992 1.00 0.00 C ATOM 688 O LYS A 44 -5.499 -3.858 3.335 1.00 0.00 O ATOM 689 CB LYS A 44 -5.158 -2.471 6.340 1.00 0.00 C ATOM 690 CG LYS A 44 -4.002 -2.020 7.239 1.00 0.00 C ATOM 691 CD LYS A 44 -4.017 -0.515 7.516 1.00 0.00 C ATOM 692 CE LYS A 44 -2.880 -0.094 8.440 1.00 0.00 C ATOM 693 NZ LYS A 44 -3.042 -0.631 9.822 1.00 0.00 N ATOM 0 H LYS A 44 -6.068 -0.291 5.271 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.005 -2.241 4.527 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.087 -2.060 6.734 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.240 -3.556 6.396 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.052 -2.559 8.185 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.056 -2.289 6.769 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.939 0.028 6.574 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.971 -0.238 7.965 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.933 -0.441 8.027 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.831 0.994 8.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.312 -0.223 10.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.984 -0.379 10.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.943 -1.666 9.806 1.00 0.00 H new ATOM 707 N SER A 45 -7.261 -2.598 4.009 1.00 0.00 N ATOM 708 CA SER A 45 -8.262 -3.348 3.237 1.00 0.00 C ATOM 709 C SER A 45 -9.204 -2.410 2.472 1.00 0.00 C ATOM 710 O SER A 45 -9.221 -1.198 2.717 1.00 0.00 O ATOM 711 CB SER A 45 -9.070 -4.256 4.174 1.00 0.00 C ATOM 712 OG SER A 45 -8.227 -5.184 4.837 1.00 0.00 O ATOM 0 H SER A 45 -7.646 -1.824 4.550 1.00 0.00 H new ATOM 0 HA SER A 45 -7.733 -3.958 2.504 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.597 -3.648 4.910 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.828 -4.792 3.602 1.00 0.00 H new ATOM 0 HG SER A 45 -8.765 -5.750 5.429 1.00 0.00 H new ATOM 718 N ALA A 46 -9.995 -2.988 1.543 1.00 0.00 N ATOM 719 CA ALA A 46 -10.952 -2.227 0.723 1.00 0.00 C ATOM 720 C ALA A 46 -12.047 -1.573 1.582 1.00 0.00 C ATOM 721 O ALA A 46 -12.127 -0.341 1.643 1.00 0.00 O ATOM 722 CB ALA A 46 -11.558 -3.127 -0.350 1.00 0.00 C ATOM 0 H ALA A 46 -9.986 -3.988 1.344 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.408 -1.419 0.234 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.264 -2.553 -0.950 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.766 -3.512 -0.992 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.078 -3.959 0.124 1.00 0.00 H new ATOM 728 N GLU A 47 -12.890 -2.400 2.244 1.00 0.00 N ATOM 729 CA GLU A 47 -13.985 -1.905 3.108 1.00 0.00 C ATOM 730 C GLU A 47 -13.477 -0.913 4.160 1.00 0.00 C ATOM 731 O GLU A 47 -14.163 0.059 4.491 1.00 0.00 O ATOM 732 CB GLU A 47 -14.692 -3.077 3.804 1.00 0.00 C ATOM 733 CG GLU A 47 -15.466 -3.989 2.854 1.00 0.00 C ATOM 734 CD GLU A 47 -16.166 -5.152 3.551 1.00 0.00 C ATOM 735 OE1 GLU A 47 -16.063 -5.274 4.793 1.00 0.00 O ATOM 736 OE2 GLU A 47 -16.823 -5.948 2.846 1.00 0.00 O ATOM 0 H GLU A 47 -12.831 -3.417 2.195 1.00 0.00 H new ATOM 0 HA GLU A 47 -14.693 -1.383 2.464 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.949 -3.671 4.337 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -15.379 -2.681 4.551 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -16.210 -3.396 2.321 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -14.779 -4.386 2.106 1.00 0.00 H new ATOM 743 N ASP A 48 -12.249 -1.154 4.649 1.00 0.00 N ATOM 744 CA ASP A 48 -11.603 -0.277 5.636 1.00 0.00 C ATOM 745 C ASP A 48 -11.145 1.025 4.970 1.00 0.00 C ATOM 746 O ASP A 48 -11.189 2.091 5.582 1.00 0.00 O ATOM 747 CB ASP A 48 -10.406 -0.981 6.286 1.00 0.00 C ATOM 748 CG ASP A 48 -10.810 -2.181 7.126 1.00 0.00 C ATOM 749 OD1 ASP A 48 -11.563 -1.995 8.105 1.00 0.00 O ATOM 750 OD2 ASP A 48 -10.373 -3.305 6.802 1.00 0.00 O ATOM 0 H ASP A 48 -11.682 -1.955 4.373 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.331 -0.042 6.412 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -9.715 -1.305 5.508 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.869 -0.269 6.913 1.00 0.00 H new ATOM 755 N CYS A 49 -10.744 0.919 3.691 1.00 0.00 N ATOM 756 CA CYS A 49 -10.305 2.071 2.891 1.00 0.00 C ATOM 757 C CYS A 49 -11.455 3.070 2.691 1.00 0.00 C ATOM 758 O CYS A 49 -11.286 4.277 2.895 1.00 0.00 O ATOM 759 CB CYS A 49 -9.768 1.578 1.537 1.00 0.00 C ATOM 760 SG CYS A 49 -9.355 2.893 0.346 1.00 0.00 S ATOM 0 H CYS A 49 -10.716 0.033 3.186 1.00 0.00 H new ATOM 0 HA CYS A 49 -9.508 2.590 3.424 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.877 0.976 1.714 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -10.512 0.921 1.086 1.00 0.00 H new ATOM 765 N MET A 50 -12.627 2.540 2.304 1.00 0.00 N ATOM 766 CA MET A 50 -13.828 3.339 2.079 1.00 0.00 C ATOM 767 C MET A 50 -14.389 3.896 3.398 1.00 0.00 C ATOM 768 O MET A 50 -14.696 5.087 3.492 1.00 0.00 O ATOM 769 CB MET A 50 -14.878 2.491 1.361 1.00 0.00 C ATOM 770 CG MET A 50 -14.563 2.224 -0.108 1.00 0.00 C ATOM 771 SD MET A 50 -15.817 1.218 -0.936 1.00 0.00 S ATOM 772 CE MET A 50 -15.514 -0.405 -0.231 1.00 0.00 C ATOM 0 H MET A 50 -12.761 1.542 2.140 1.00 0.00 H new ATOM 0 HA MET A 50 -13.564 4.192 1.454 1.00 0.00 H new ATOM 0 HB2 MET A 50 -14.976 1.537 1.880 1.00 0.00 H new ATOM 0 HB3 MET A 50 -15.843 2.992 1.429 1.00 0.00 H new ATOM 0 HG2 MET A 50 -14.467 3.176 -0.631 1.00 0.00 H new ATOM 0 HG3 MET A 50 -13.598 1.722 -0.180 1.00 0.00 H new ATOM 0 HE1 MET A 50 -15.928 -1.170 -0.888 1.00 0.00 H new ATOM 0 HE2 MET A 50 -14.440 -0.561 -0.125 1.00 0.00 H new ATOM 0 HE3 MET A 50 -15.989 -0.471 0.748 1.00 0.00 H new ATOM 782 N ARG A 51 -14.519 3.017 4.409 1.00 0.00 N ATOM 783 CA ARG A 51 -15.043 3.393 5.734 1.00 0.00 C ATOM 784 C ARG A 51 -14.149 4.402 6.476 1.00 0.00 C ATOM 785 O ARG A 51 -14.654 5.204 7.267 1.00 0.00 O ATOM 786 CB ARG A 51 -15.230 2.139 6.602 1.00 0.00 C ATOM 787 CG ARG A 51 -16.645 1.548 6.594 1.00 0.00 C ATOM 788 CD ARG A 51 -17.013 0.875 5.272 1.00 0.00 C ATOM 789 NE ARG A 51 -17.306 1.849 4.214 1.00 0.00 N ATOM 790 CZ ARG A 51 -17.732 1.531 2.982 1.00 0.00 C ATOM 791 NH1 ARG A 51 -17.908 0.262 2.620 1.00 0.00 N ATOM 792 NH2 ARG A 51 -17.982 2.496 2.108 1.00 0.00 N ATOM 0 H ARG A 51 -14.265 2.032 4.331 1.00 0.00 H new ATOM 0 HA ARG A 51 -16.002 3.882 5.560 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -14.531 1.374 6.263 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -14.961 2.384 7.630 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -16.731 0.820 7.401 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -17.363 2.341 6.802 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -16.193 0.232 4.954 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -17.881 0.233 5.423 1.00 0.00 H new ATOM 0 HE ARG A 51 -17.177 2.837 4.430 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -17.718 -0.489 3.284 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -18.233 0.040 1.679 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -17.850 3.472 2.374 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -18.306 2.263 1.169 1.00 0.00 H new ATOM 806 N THR A 52 -12.829 4.353 6.229 1.00 0.00 N ATOM 807 CA THR A 52 -11.884 5.262 6.891 1.00 0.00 C ATOM 808 C THR A 52 -11.662 6.556 6.082 1.00 0.00 C ATOM 809 O THR A 52 -11.423 7.611 6.678 1.00 0.00 O ATOM 810 CB THR A 52 -10.548 4.540 7.160 1.00 0.00 C ATOM 811 OG1 THR A 52 -10.776 3.330 7.859 1.00 0.00 O ATOM 812 CG2 THR A 52 -9.552 5.341 7.987 1.00 0.00 C ATOM 0 H THR A 52 -12.396 3.697 5.579 1.00 0.00 H new ATOM 0 HA THR A 52 -12.321 5.557 7.845 1.00 0.00 H new ATOM 0 HB THR A 52 -10.120 4.380 6.170 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.204 2.682 7.261 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.642 4.757 8.127 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.311 6.269 7.468 1.00 0.00 H new ATOM 0 HG23 THR A 52 -9.988 5.571 8.959 1.00 0.00 H new ATOM 820 N CYS A 53 -11.735 6.479 4.738 1.00 0.00 N ATOM 821 CA CYS A 53 -11.530 7.670 3.895 1.00 0.00 C ATOM 822 C CYS A 53 -12.806 8.522 3.826 1.00 0.00 C ATOM 823 O CYS A 53 -12.760 9.730 4.075 1.00 0.00 O ATOM 824 CB CYS A 53 -11.049 7.282 2.478 1.00 0.00 C ATOM 825 SG CYS A 53 -12.110 7.874 1.107 1.00 0.00 S ATOM 0 H CYS A 53 -11.931 5.621 4.222 1.00 0.00 H new ATOM 0 HA CYS A 53 -10.747 8.270 4.358 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -10.042 7.674 2.333 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -10.979 6.196 2.420 1.00 0.00 H new ATOM 830 N GLY A 54 -13.936 7.882 3.481 1.00 0.00 N ATOM 831 CA GLY A 54 -15.205 8.588 3.377 1.00 0.00 C ATOM 832 C GLY A 54 -15.540 8.979 1.949 1.00 0.00 C ATOM 833 O GLY A 54 -16.639 8.687 1.466 1.00 0.00 O ATOM 0 H GLY A 54 -13.988 6.885 3.273 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -16.001 7.957 3.773 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -15.170 9.484 3.996 1.00 0.00 H new ATOM 837 N GLY A 55 -14.588 9.637 1.281 1.00 0.00 N ATOM 838 CA GLY A 55 -14.786 10.065 -0.097 1.00 0.00 C ATOM 839 C GLY A 55 -14.968 11.565 -0.219 1.00 0.00 C ATOM 840 O GLY A 55 -16.080 12.074 -0.056 1.00 0.00 O ATOM 0 H GLY A 55 -13.679 9.881 1.674 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -13.930 9.756 -0.696 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -15.661 9.562 -0.508 1.00 0.00 H new ATOM 844 N ALA A 56 -13.856 12.275 -0.511 1.00 0.00 N ATOM 845 CA ALA A 56 -13.830 13.749 -0.671 1.00 0.00 C ATOM 846 C ALA A 56 -14.182 14.482 0.627 1.00 0.00 C ATOM 847 O ALA A 56 -15.250 14.190 1.205 1.00 0.00 O ATOM 848 CB ALA A 56 -14.745 14.210 -1.810 1.00 0.00 C ATOM 849 OXT ALA A 56 -13.383 15.343 1.052 1.00 0.00 O ATOM 0 H ALA A 56 -12.943 11.839 -0.644 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.803 14.010 -0.929 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -14.699 15.296 -1.897 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -14.417 13.757 -2.746 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -15.770 13.906 -1.599 1.00 0.00 H new TER 855 ALA A 56