USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 454 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 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl -118:sc= -0.365 (180deg=-3.38!) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -3.21 K(o=-3.2,f=-9.1!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.112 K(o=-0.11,f=-1.7!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HE2:sc= -0.357 K(o=-0.36,f=-0.98) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -1.47 K(o=-1.5,f=-9.4!) USER MOD Single : A 51 SER OG : rot 45:sc= 0.0157 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 5.916 5.626 4.231 1.00 0.00 N ATOM 67 CA LEU A 8 4.635 5.497 3.544 1.00 0.00 C ATOM 68 C LEU A 8 3.837 4.321 4.097 1.00 0.00 C ATOM 69 O LEU A 8 4.405 3.303 4.493 1.00 0.00 O ATOM 70 CB LEU A 8 4.856 5.318 2.041 1.00 0.00 C ATOM 71 CG LEU A 8 3.801 4.494 1.302 1.00 0.00 C ATOM 72 CD1 LEU A 8 2.494 5.265 1.203 1.00 0.00 C ATOM 73 CD2 LEU A 8 4.301 4.108 -0.083 1.00 0.00 C ATOM 0 HA LEU A 8 4.065 6.410 3.714 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.905 6.305 1.581 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.827 4.847 1.890 1.00 0.00 H new ATOM 0 HG LEU A 8 3.618 3.581 1.869 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.755 4.663 0.674 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.128 5.491 2.205 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.660 6.195 0.659 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.538 3.522 -0.595 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.513 5.010 -0.658 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.211 3.516 0.011 1.00 0.00 H new ATOM 85 N LYS A 9 2.517 4.466 4.118 1.00 0.00 N ATOM 86 CA LYS A 9 1.639 3.415 4.618 1.00 0.00 C ATOM 87 C LYS A 9 0.399 3.278 3.740 1.00 0.00 C ATOM 88 O LYS A 9 0.013 4.217 3.045 1.00 0.00 O ATOM 89 CB LYS A 9 1.224 3.712 6.061 1.00 0.00 C ATOM 90 CG LYS A 9 2.395 3.801 7.024 1.00 0.00 C ATOM 91 CD LYS A 9 1.997 3.372 8.427 1.00 0.00 C ATOM 92 CE LYS A 9 1.762 1.871 8.504 1.00 0.00 C ATOM 93 NZ LYS A 9 0.746 1.522 9.536 1.00 0.00 N ATOM 0 H LYS A 9 2.031 5.302 3.794 1.00 0.00 H new ATOM 0 HA LYS A 9 2.188 2.474 4.590 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.672 4.652 6.085 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.542 2.933 6.402 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.210 3.171 6.667 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.771 4.824 7.048 1.00 0.00 H new ATOM 0 HD2 LYS A 9 2.779 3.656 9.131 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.091 3.899 8.727 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.433 1.504 7.532 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.701 1.367 8.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.614 0.491 9.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.071 1.849 10.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.157 1.982 9.303 1.00 0.00 H new ATOM 107 N MET A 10 -0.220 2.102 3.778 1.00 0.00 N ATOM 108 CA MET A 10 -1.418 1.844 2.987 1.00 0.00 C ATOM 109 C MET A 10 -2.345 0.870 3.706 1.00 0.00 C ATOM 110 O MET A 10 -1.895 0.036 4.491 1.00 0.00 O ATOM 111 CB MET A 10 -1.038 1.285 1.614 1.00 0.00 C ATOM 112 CG MET A 10 -0.266 2.269 0.750 1.00 0.00 C ATOM 113 SD MET A 10 -0.252 1.801 -0.992 1.00 0.00 S ATOM 114 CE MET A 10 -1.480 2.924 -1.654 1.00 0.00 C ATOM 0 H MET A 10 0.088 1.314 4.347 1.00 0.00 H new ATOM 0 HA MET A 10 -1.945 2.789 2.854 1.00 0.00 H new ATOM 0 HB2 MET A 10 -0.438 0.385 1.750 1.00 0.00 H new ATOM 0 HB3 MET A 10 -1.945 0.987 1.089 1.00 0.00 H new ATOM 0 HG2 MET A 10 -0.707 3.260 0.852 1.00 0.00 H new ATOM 0 HG3 MET A 10 0.760 2.338 1.112 1.00 0.00 H new ATOM 0 HE1 MET A 10 -2.310 2.352 -2.069 1.00 0.00 H new ATOM 0 HE2 MET A 10 -1.847 3.572 -0.858 1.00 0.00 H new ATOM 0 HE3 MET A 10 -1.031 3.533 -2.439 1.00 0.00 H new ATOM 124 N GLN A 11 -3.641 0.983 3.434 1.00 0.00 N ATOM 125 CA GLN A 11 -4.631 0.113 4.058 1.00 0.00 C ATOM 126 C GLN A 11 -5.180 -0.895 3.053 1.00 0.00 C ATOM 127 O GLN A 11 -5.587 -0.529 1.950 1.00 0.00 O ATOM 128 CB GLN A 11 -5.775 0.942 4.642 1.00 0.00 C ATOM 129 CG GLN A 11 -6.456 1.842 3.624 1.00 0.00 C ATOM 130 CD GLN A 11 -7.679 2.540 4.187 1.00 0.00 C ATOM 131 OE1 GLN A 11 -8.446 1.953 4.950 1.00 0.00 O ATOM 132 NE2 GLN A 11 -7.867 3.800 3.812 1.00 0.00 N ATOM 0 H GLN A 11 -4.030 1.668 2.786 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.140 -0.434 4.863 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.516 0.269 5.073 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.389 1.555 5.456 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -5.745 2.590 3.273 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -6.748 1.248 2.758 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -7.205 4.247 3.178 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -8.673 4.320 4.159 1.00 0.00 H new ATOM 141 N VAL A 12 -5.186 -2.166 3.440 1.00 0.00 N ATOM 142 CA VAL A 12 -5.685 -3.227 2.574 1.00 0.00 C ATOM 143 C VAL A 12 -7.141 -2.985 2.191 1.00 0.00 C ATOM 144 O VAL A 12 -7.890 -2.342 2.928 1.00 0.00 O ATOM 145 CB VAL A 12 -5.567 -4.606 3.249 1.00 0.00 C ATOM 146 CG1 VAL A 12 -5.966 -5.711 2.282 1.00 0.00 C ATOM 147 CG2 VAL A 12 -4.153 -4.825 3.767 1.00 0.00 C ATOM 0 H VAL A 12 -4.851 -2.486 4.348 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.068 -3.217 1.675 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.250 -4.635 4.098 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.876 -6.678 2.777 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.998 -5.561 1.964 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.311 -5.687 1.411 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.087 -5.804 4.241 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.449 -4.776 2.936 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.909 -4.052 4.495 1.00 0.00 H new ATOM 157 N LEU A 13 -7.537 -3.503 1.034 1.00 0.00 N ATOM 158 CA LEU A 13 -8.905 -3.344 0.552 1.00 0.00 C ATOM 159 C LEU A 13 -9.575 -4.700 0.357 1.00 0.00 C ATOM 160 O LEU A 13 -10.757 -4.868 0.656 1.00 0.00 O ATOM 161 CB LEU A 13 -8.915 -2.564 -0.764 1.00 0.00 C ATOM 162 CG LEU A 13 -10.216 -1.836 -1.102 1.00 0.00 C ATOM 163 CD1 LEU A 13 -10.460 -0.696 -0.125 1.00 0.00 C ATOM 164 CD2 LEU A 13 -10.181 -1.317 -2.532 1.00 0.00 C ATOM 0 H LEU A 13 -6.930 -4.037 0.412 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.466 -2.787 1.302 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.109 -1.831 -0.735 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.688 -3.256 -1.575 1.00 0.00 H new ATOM 0 HG LEU A 13 -11.039 -2.545 -1.014 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.391 -0.190 -0.382 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.530 -1.093 0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.634 0.013 -0.180 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -11.115 -0.802 -2.755 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.348 -0.624 -2.647 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.055 -2.153 -3.220 1.00 0.00 H new ATOM 176 N TYR A 14 -8.811 -5.665 -0.143 1.00 0.00 N ATOM 177 CA TYR A 14 -9.331 -7.007 -0.377 1.00 0.00 C ATOM 178 C TYR A 14 -8.435 -8.059 0.270 1.00 0.00 C ATOM 179 O TYR A 14 -7.249 -8.158 -0.044 1.00 0.00 O ATOM 180 CB TYR A 14 -9.449 -7.276 -1.878 1.00 0.00 C ATOM 181 CG TYR A 14 -10.172 -6.184 -2.634 1.00 0.00 C ATOM 182 CD1 TYR A 14 -11.559 -6.120 -2.644 1.00 0.00 C ATOM 183 CD2 TYR A 14 -9.466 -5.215 -3.338 1.00 0.00 C ATOM 184 CE1 TYR A 14 -12.224 -5.124 -3.333 1.00 0.00 C ATOM 185 CE2 TYR A 14 -10.122 -4.215 -4.029 1.00 0.00 C ATOM 186 CZ TYR A 14 -11.501 -4.174 -4.024 1.00 0.00 C ATOM 187 OH TYR A 14 -12.158 -3.180 -4.711 1.00 0.00 O ATOM 0 H TYR A 14 -7.830 -5.543 -0.394 1.00 0.00 H new ATOM 0 HA TYR A 14 -10.320 -7.070 0.076 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.450 -7.396 -2.297 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -9.973 -8.220 -2.029 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -12.128 -6.862 -2.104 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.386 -5.245 -3.345 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -13.303 -5.089 -3.331 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -9.559 -3.469 -4.570 1.00 0.00 H new ATOM 0 HH TYR A 14 -11.503 -2.592 -5.142 1.00 0.00 H new ATOM 197 N GLU A 15 -9.013 -8.843 1.175 1.00 0.00 N ATOM 198 CA GLU A 15 -8.267 -9.888 1.867 1.00 0.00 C ATOM 199 C GLU A 15 -7.453 -10.720 0.880 1.00 0.00 C ATOM 200 O GLU A 15 -7.905 -11.007 -0.228 1.00 0.00 O ATOM 201 CB GLU A 15 -9.221 -10.794 2.649 1.00 0.00 C ATOM 202 CG GLU A 15 -8.601 -11.397 3.898 1.00 0.00 C ATOM 203 CD GLU A 15 -9.190 -12.750 4.246 1.00 0.00 C ATOM 204 OE1 GLU A 15 -9.870 -13.341 3.381 1.00 0.00 O ATOM 205 OE2 GLU A 15 -8.971 -13.218 5.383 1.00 0.00 O ATOM 0 H GLU A 15 -9.994 -8.775 1.446 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.580 -9.408 2.564 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.103 -10.220 2.932 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.560 -11.599 1.997 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.526 -11.500 3.752 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.745 -10.715 4.736 1.00 0.00 H new ATOM 212 N PHE A 16 -6.249 -11.103 1.291 1.00 0.00 N ATOM 213 CA PHE A 16 -5.370 -11.900 0.444 1.00 0.00 C ATOM 214 C PHE A 16 -4.755 -13.054 1.231 1.00 0.00 C ATOM 215 O PHE A 16 -4.580 -12.965 2.446 1.00 0.00 O ATOM 216 CB PHE A 16 -4.263 -11.024 -0.147 1.00 0.00 C ATOM 217 CG PHE A 16 -3.223 -11.801 -0.902 1.00 0.00 C ATOM 218 CD1 PHE A 16 -3.502 -12.321 -2.155 1.00 0.00 C ATOM 219 CD2 PHE A 16 -1.965 -12.010 -0.359 1.00 0.00 C ATOM 220 CE1 PHE A 16 -2.547 -13.036 -2.852 1.00 0.00 C ATOM 221 CE2 PHE A 16 -1.005 -12.724 -1.052 1.00 0.00 C ATOM 222 CZ PHE A 16 -1.297 -13.237 -2.300 1.00 0.00 C ATOM 0 H PHE A 16 -5.860 -10.874 2.206 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.968 -12.315 -0.368 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.711 -10.288 -0.814 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.779 -10.472 0.658 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.477 -12.166 -2.592 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.732 -11.610 0.617 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.778 -13.437 -3.828 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.029 -12.880 -0.618 1.00 0.00 H new ATOM 0 HZ PHE A 16 -0.549 -13.795 -2.844 1.00 0.00 H new ATOM 232 N GLU A 17 -4.431 -14.135 0.529 1.00 0.00 N ATOM 233 CA GLU A 17 -3.837 -15.307 1.163 1.00 0.00 C ATOM 234 C GLU A 17 -2.490 -15.644 0.530 1.00 0.00 C ATOM 235 O GLU A 17 -2.428 -16.315 -0.500 1.00 0.00 O ATOM 236 CB GLU A 17 -4.780 -16.507 1.052 1.00 0.00 C ATOM 237 CG GLU A 17 -4.402 -17.664 1.961 1.00 0.00 C ATOM 238 CD GLU A 17 -4.904 -18.999 1.446 1.00 0.00 C ATOM 239 OE1 GLU A 17 -4.418 -19.445 0.385 1.00 0.00 O ATOM 240 OE2 GLU A 17 -5.781 -19.597 2.102 1.00 0.00 O ATOM 0 H GLU A 17 -4.569 -14.224 -0.478 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.676 -15.077 2.216 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.794 -16.185 1.290 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.791 -16.856 0.019 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.317 -17.702 2.062 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.809 -17.487 2.957 1.00 0.00 H new ATOM 247 N ALA A 18 -1.416 -15.174 1.153 1.00 0.00 N ATOM 248 CA ALA A 18 -0.070 -15.426 0.653 1.00 0.00 C ATOM 249 C ALA A 18 0.190 -16.921 0.505 1.00 0.00 C ATOM 250 O ALA A 18 -0.179 -17.713 1.373 1.00 0.00 O ATOM 251 CB ALA A 18 0.963 -14.797 1.576 1.00 0.00 C ATOM 0 H ALA A 18 -1.451 -14.616 2.006 1.00 0.00 H new ATOM 0 HA ALA A 18 0.015 -14.970 -0.333 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.963 -14.993 1.190 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.798 -13.721 1.627 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.868 -15.226 2.574 1.00 0.00 H new ATOM 257 N ARG A 19 0.825 -17.301 -0.598 1.00 0.00 N ATOM 258 CA ARG A 19 1.132 -18.702 -0.859 1.00 0.00 C ATOM 259 C ARG A 19 2.639 -18.920 -0.953 1.00 0.00 C ATOM 260 O ARG A 19 3.107 -20.053 -1.058 1.00 0.00 O ATOM 261 CB ARG A 19 0.458 -19.161 -2.154 1.00 0.00 C ATOM 262 CG ARG A 19 0.615 -18.179 -3.304 1.00 0.00 C ATOM 263 CD ARG A 19 -0.521 -17.169 -3.332 1.00 0.00 C ATOM 264 NE ARG A 19 -1.792 -17.785 -3.701 1.00 0.00 N ATOM 265 CZ ARG A 19 -2.809 -17.113 -4.229 1.00 0.00 C ATOM 266 NH1 ARG A 19 -2.704 -15.810 -4.449 1.00 0.00 N ATOM 267 NH2 ARG A 19 -3.935 -17.744 -4.538 1.00 0.00 N ATOM 0 H ARG A 19 1.137 -16.658 -1.326 1.00 0.00 H new ATOM 0 HA ARG A 19 0.748 -19.293 -0.028 1.00 0.00 H new ATOM 0 HB2 ARG A 19 0.876 -20.123 -2.450 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -0.604 -19.319 -1.965 1.00 0.00 H new ATOM 0 HG2 ARG A 19 1.567 -17.656 -3.210 1.00 0.00 H new ATOM 0 HG3 ARG A 19 0.643 -18.724 -4.248 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.615 -16.703 -2.351 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.283 -16.376 -4.041 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.905 -18.787 -3.545 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.841 -15.321 -4.213 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.487 -15.297 -4.855 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.020 -18.746 -4.370 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.715 -17.226 -4.943 1.00 0.00 H new ATOM 281 N ASN A 20 3.394 -17.827 -0.914 1.00 0.00 N ATOM 282 CA ASN A 20 4.848 -17.899 -0.995 1.00 0.00 C ATOM 283 C ASN A 20 5.482 -17.654 0.371 1.00 0.00 C ATOM 284 O ASN A 20 4.915 -16.984 1.235 1.00 0.00 O ATOM 285 CB ASN A 20 5.374 -16.877 -2.005 1.00 0.00 C ATOM 286 CG ASN A 20 4.630 -16.933 -3.325 1.00 0.00 C ATOM 287 OD1 ASN A 20 3.714 -17.736 -3.500 1.00 0.00 O ATOM 288 ND2 ASN A 20 5.022 -16.076 -4.261 1.00 0.00 N ATOM 0 H ASN A 20 3.023 -16.881 -0.827 1.00 0.00 H new ATOM 0 HA ASN A 20 5.120 -18.901 -1.327 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.286 -15.876 -1.584 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.435 -17.057 -2.181 1.00 0.00 H new ATOM 0 HD21 ASN A 20 4.558 -16.066 -5.170 1.00 0.00 H new ATOM 0 HD22 ASN A 20 5.786 -15.428 -4.071 1.00 0.00 H new ATOM 295 N PRO A 21 6.686 -18.208 0.573 1.00 0.00 N ATOM 296 CA PRO A 21 7.424 -18.063 1.831 1.00 0.00 C ATOM 297 C PRO A 21 7.935 -16.641 2.043 1.00 0.00 C ATOM 298 O PRO A 21 8.222 -16.236 3.169 1.00 0.00 O ATOM 299 CB PRO A 21 8.597 -19.033 1.669 1.00 0.00 C ATOM 300 CG PRO A 21 8.790 -19.152 0.196 1.00 0.00 C ATOM 301 CD PRO A 21 7.421 -19.019 -0.413 1.00 0.00 C ATOM 0 HA PRO A 21 6.797 -18.272 2.697 1.00 0.00 H new ATOM 0 HB2 PRO A 21 9.495 -18.653 2.156 1.00 0.00 H new ATOM 0 HB3 PRO A 21 8.375 -20.001 2.119 1.00 0.00 H new ATOM 0 HG2 PRO A 21 9.459 -18.375 -0.174 1.00 0.00 H new ATOM 0 HG3 PRO A 21 9.241 -20.110 -0.062 1.00 0.00 H new ATOM 0 HD2 PRO A 21 7.460 -18.530 -1.386 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.952 -19.991 -0.563 1.00 0.00 H new ATOM 309 N ARG A 22 8.045 -15.889 0.953 1.00 0.00 N ATOM 310 CA ARG A 22 8.521 -14.512 1.020 1.00 0.00 C ATOM 311 C ARG A 22 7.351 -13.534 1.073 1.00 0.00 C ATOM 312 O ARG A 22 7.539 -12.340 1.302 1.00 0.00 O ATOM 313 CB ARG A 22 9.409 -14.198 -0.186 1.00 0.00 C ATOM 314 CG ARG A 22 8.639 -14.060 -1.489 1.00 0.00 C ATOM 315 CD ARG A 22 9.445 -13.306 -2.535 1.00 0.00 C ATOM 316 NE ARG A 22 8.762 -13.261 -3.825 1.00 0.00 N ATOM 317 CZ ARG A 22 8.618 -14.317 -4.618 1.00 0.00 C ATOM 318 NH1 ARG A 22 9.108 -15.494 -4.254 1.00 0.00 N ATOM 319 NH2 ARG A 22 7.984 -14.196 -5.777 1.00 0.00 N ATOM 0 H ARG A 22 7.811 -16.209 0.013 1.00 0.00 H new ATOM 0 HA ARG A 22 9.107 -14.400 1.933 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.953 -13.273 0.005 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.152 -14.988 -0.295 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.384 -15.049 -1.868 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.700 -13.537 -1.305 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.630 -12.290 -2.187 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.418 -13.783 -2.656 1.00 0.00 H new ATOM 0 HE ARG A 22 8.374 -12.370 -4.134 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.597 -15.590 -3.364 1.00 0.00 H new ATOM 0 HH12 ARG A 22 8.996 -16.304 -4.864 1.00 0.00 H new ATOM 0 HH21 ARG A 22 7.607 -13.292 -6.060 1.00 0.00 H new ATOM 0 HH22 ARG A 22 7.874 -15.007 -6.385 1.00 0.00 H new ATOM 333 N GLU A 23 6.145 -14.050 0.859 1.00 0.00 N ATOM 334 CA GLU A 23 4.946 -13.221 0.881 1.00 0.00 C ATOM 335 C GLU A 23 4.361 -13.147 2.289 1.00 0.00 C ATOM 336 O GLU A 23 4.708 -13.946 3.160 1.00 0.00 O ATOM 337 CB GLU A 23 3.899 -13.772 -0.089 1.00 0.00 C ATOM 338 CG GLU A 23 4.227 -13.512 -1.550 1.00 0.00 C ATOM 339 CD GLU A 23 3.273 -14.216 -2.496 1.00 0.00 C ATOM 340 OE1 GLU A 23 2.544 -15.121 -2.038 1.00 0.00 O ATOM 341 OE2 GLU A 23 3.257 -13.863 -3.693 1.00 0.00 O ATOM 0 H GLU A 23 5.973 -15.037 0.669 1.00 0.00 H new ATOM 0 HA GLU A 23 5.226 -12.215 0.569 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.801 -14.846 0.067 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.931 -13.327 0.142 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.196 -12.439 -1.740 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.245 -13.842 -1.754 1.00 0.00 H new ATOM 348 N LEU A 24 3.473 -12.183 2.505 1.00 0.00 N ATOM 349 CA LEU A 24 2.839 -12.004 3.807 1.00 0.00 C ATOM 350 C LEU A 24 1.321 -11.939 3.669 1.00 0.00 C ATOM 351 O LEU A 24 0.796 -11.303 2.754 1.00 0.00 O ATOM 352 CB LEU A 24 3.357 -10.730 4.477 1.00 0.00 C ATOM 353 CG LEU A 24 2.787 -10.421 5.861 1.00 0.00 C ATOM 354 CD1 LEU A 24 3.524 -11.212 6.931 1.00 0.00 C ATOM 355 CD2 LEU A 24 2.866 -8.929 6.149 1.00 0.00 C ATOM 0 H LEU A 24 3.175 -11.513 1.796 1.00 0.00 H new ATOM 0 HA LEU A 24 3.092 -12.863 4.429 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.441 -10.802 4.560 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.143 -9.886 3.821 1.00 0.00 H new ATOM 0 HG LEU A 24 1.739 -10.719 5.876 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.104 -10.979 7.910 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.416 -12.279 6.734 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.581 -10.946 6.917 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.456 -8.727 7.139 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.907 -8.606 6.115 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.292 -8.383 5.400 1.00 0.00 H new ATOM 367 N THR A 25 0.620 -12.599 4.586 1.00 0.00 N ATOM 368 CA THR A 25 -0.837 -12.615 4.568 1.00 0.00 C ATOM 369 C THR A 25 -1.408 -11.326 5.147 1.00 0.00 C ATOM 370 O THR A 25 -0.837 -10.741 6.067 1.00 0.00 O ATOM 371 CB THR A 25 -1.395 -13.813 5.360 1.00 0.00 C ATOM 372 OG1 THR A 25 -0.754 -15.021 4.937 1.00 0.00 O ATOM 373 CG2 THR A 25 -2.899 -13.936 5.166 1.00 0.00 C ATOM 0 H THR A 25 1.038 -13.129 5.350 1.00 0.00 H new ATOM 0 HA THR A 25 -1.140 -12.706 3.525 1.00 0.00 H new ATOM 0 HB THR A 25 -1.193 -13.647 6.418 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.113 -15.777 5.446 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.271 -14.789 5.734 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.387 -13.026 5.516 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.119 -14.082 4.108 1.00 0.00 H new ATOM 381 N VAL A 26 -2.540 -10.889 4.604 1.00 0.00 N ATOM 382 CA VAL A 26 -3.190 -9.670 5.069 1.00 0.00 C ATOM 383 C VAL A 26 -4.704 -9.761 4.914 1.00 0.00 C ATOM 384 O VAL A 26 -5.222 -10.699 4.308 1.00 0.00 O ATOM 385 CB VAL A 26 -2.680 -8.435 4.304 1.00 0.00 C ATOM 386 CG1 VAL A 26 -1.211 -8.185 4.612 1.00 0.00 C ATOM 387 CG2 VAL A 26 -2.897 -8.608 2.808 1.00 0.00 C ATOM 0 H VAL A 26 -3.026 -11.361 3.842 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.942 -9.562 6.125 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.249 -7.565 4.633 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.868 -7.308 4.062 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.087 -8.014 5.681 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.624 -9.053 4.313 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.531 -7.726 2.283 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.355 -9.488 2.461 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.961 -8.734 2.607 1.00 0.00 H new ATOM 397 N VAL A 27 -5.410 -8.778 5.464 1.00 0.00 N ATOM 398 CA VAL A 27 -6.866 -8.745 5.385 1.00 0.00 C ATOM 399 C VAL A 27 -7.372 -7.326 5.154 1.00 0.00 C ATOM 400 O VAL A 27 -6.689 -6.354 5.474 1.00 0.00 O ATOM 401 CB VAL A 27 -7.510 -9.305 6.667 1.00 0.00 C ATOM 402 CG1 VAL A 27 -7.000 -10.710 6.952 1.00 0.00 C ATOM 403 CG2 VAL A 27 -7.239 -8.382 7.846 1.00 0.00 C ATOM 0 H VAL A 27 -4.997 -7.994 5.969 1.00 0.00 H new ATOM 0 HA VAL A 27 -7.151 -9.371 4.540 1.00 0.00 H new ATOM 0 HB VAL A 27 -8.588 -9.359 6.517 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -7.466 -11.089 7.862 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -7.250 -11.364 6.117 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.918 -10.685 7.082 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -7.701 -8.793 8.744 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.163 -8.294 7.999 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.658 -7.397 7.641 1.00 0.00 H new ATOM 413 N GLN A 28 -8.573 -7.216 4.596 1.00 0.00 N ATOM 414 CA GLN A 28 -9.171 -5.914 4.321 1.00 0.00 C ATOM 415 C GLN A 28 -9.268 -5.080 5.594 1.00 0.00 C ATOM 416 O GLN A 28 -9.451 -5.616 6.687 1.00 0.00 O ATOM 417 CB GLN A 28 -10.559 -6.087 3.703 1.00 0.00 C ATOM 418 CG GLN A 28 -11.359 -4.796 3.632 1.00 0.00 C ATOM 419 CD GLN A 28 -12.843 -5.039 3.444 1.00 0.00 C ATOM 420 OE1 GLN A 28 -13.361 -6.098 3.801 1.00 0.00 O ATOM 421 NE2 GLN A 28 -13.538 -4.056 2.882 1.00 0.00 N ATOM 0 H GLN A 28 -9.151 -8.012 4.325 1.00 0.00 H new ATOM 0 HA GLN A 28 -8.529 -5.390 3.613 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -10.452 -6.494 2.697 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -11.118 -6.819 4.285 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -11.201 -4.225 4.547 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -10.987 -4.187 2.808 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -13.068 -3.195 2.601 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -14.541 -4.162 2.731 1.00 0.00 H new ATOM 430 N GLY A 29 -9.144 -3.765 5.445 1.00 0.00 N ATOM 431 CA GLY A 29 -9.220 -2.878 6.592 1.00 0.00 C ATOM 432 C GLY A 29 -7.887 -2.726 7.296 1.00 0.00 C ATOM 433 O GLY A 29 -7.545 -1.639 7.761 1.00 0.00 O ATOM 0 H GLY A 29 -8.992 -3.298 4.551 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.570 -1.898 6.267 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.958 -3.262 7.296 1.00 0.00 H new ATOM 437 N GLU A 30 -7.134 -3.818 7.377 1.00 0.00 N ATOM 438 CA GLU A 30 -5.832 -3.800 8.033 1.00 0.00 C ATOM 439 C GLU A 30 -4.885 -2.827 7.337 1.00 0.00 C ATOM 440 O GLU A 30 -4.958 -2.632 6.123 1.00 0.00 O ATOM 441 CB GLU A 30 -5.222 -5.204 8.043 1.00 0.00 C ATOM 442 CG GLU A 30 -3.823 -5.255 8.634 1.00 0.00 C ATOM 443 CD GLU A 30 -3.340 -6.673 8.869 1.00 0.00 C ATOM 444 OE1 GLU A 30 -3.075 -7.382 7.875 1.00 0.00 O ATOM 445 OE2 GLU A 30 -3.228 -7.075 10.046 1.00 0.00 O ATOM 0 H GLU A 30 -7.403 -4.726 6.997 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.976 -3.467 9.061 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.872 -5.869 8.611 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.190 -5.585 7.022 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.131 -4.746 7.964 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.811 -4.710 9.578 1.00 0.00 H new ATOM 452 N LYS A 31 -3.995 -2.218 8.113 1.00 0.00 N ATOM 453 CA LYS A 31 -3.032 -1.266 7.574 1.00 0.00 C ATOM 454 C LYS A 31 -1.616 -1.830 7.634 1.00 0.00 C ATOM 455 O LYS A 31 -1.298 -2.645 8.501 1.00 0.00 O ATOM 456 CB LYS A 31 -3.101 0.054 8.347 1.00 0.00 C ATOM 457 CG LYS A 31 -4.467 0.338 8.945 1.00 0.00 C ATOM 458 CD LYS A 31 -4.738 1.830 9.034 1.00 0.00 C ATOM 459 CE LYS A 31 -4.236 2.410 10.347 1.00 0.00 C ATOM 460 NZ LYS A 31 -4.360 3.894 10.382 1.00 0.00 N ATOM 0 H LYS A 31 -3.921 -2.367 9.119 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.286 -1.082 6.530 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.360 0.036 9.147 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.829 0.871 7.679 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.237 -0.137 8.337 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.529 -0.104 9.940 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.253 2.339 8.201 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.808 2.013 8.940 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.801 1.979 11.174 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.193 2.129 10.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.007 4.250 11.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.801 4.307 9.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.359 4.162 10.269 1.00 0.00 H new ATOM 474 N LEU A 32 -0.770 -1.390 6.710 1.00 0.00 N ATOM 475 CA LEU A 32 0.614 -1.851 6.659 1.00 0.00 C ATOM 476 C LEU A 32 1.529 -0.764 6.103 1.00 0.00 C ATOM 477 O LEU A 32 1.075 0.151 5.417 1.00 0.00 O ATOM 478 CB LEU A 32 0.721 -3.112 5.800 1.00 0.00 C ATOM 479 CG LEU A 32 -0.158 -4.289 6.224 1.00 0.00 C ATOM 480 CD1 LEU A 32 -0.498 -5.160 5.024 1.00 0.00 C ATOM 481 CD2 LEU A 32 0.533 -5.110 7.303 1.00 0.00 C ATOM 0 H LEU A 32 -1.017 -0.715 5.986 1.00 0.00 H new ATOM 0 HA LEU A 32 0.932 -2.083 7.675 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.471 -2.850 4.772 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.760 -3.441 5.801 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.087 -3.894 6.636 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.124 -5.993 5.345 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.035 -4.566 4.284 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.421 -5.546 4.582 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.107 -5.943 7.592 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.478 -5.495 6.918 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.725 -4.481 8.172 1.00 0.00 H new ATOM 493 N GLU A 33 2.819 -0.874 6.403 1.00 0.00 N ATOM 494 CA GLU A 33 3.798 0.099 5.932 1.00 0.00 C ATOM 495 C GLU A 33 4.477 -0.387 4.655 1.00 0.00 C ATOM 496 O GLU A 33 4.987 -1.506 4.597 1.00 0.00 O ATOM 497 CB GLU A 33 4.848 0.363 7.013 1.00 0.00 C ATOM 498 CG GLU A 33 6.076 1.099 6.502 1.00 0.00 C ATOM 499 CD GLU A 33 6.817 1.832 7.603 1.00 0.00 C ATOM 500 OE1 GLU A 33 6.826 1.333 8.747 1.00 0.00 O ATOM 501 OE2 GLU A 33 7.390 2.905 7.319 1.00 0.00 O ATOM 0 H GLU A 33 3.211 -1.626 6.970 1.00 0.00 H new ATOM 0 HA GLU A 33 3.272 1.028 5.712 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.393 0.945 7.815 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.159 -0.588 7.446 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.751 0.387 6.027 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.774 1.812 5.735 1.00 0.00 H new ATOM 508 N VAL A 34 4.480 0.462 3.633 1.00 0.00 N ATOM 509 CA VAL A 34 5.097 0.120 2.356 1.00 0.00 C ATOM 510 C VAL A 34 6.601 0.362 2.391 1.00 0.00 C ATOM 511 O VAL A 34 7.075 1.315 3.011 1.00 0.00 O ATOM 512 CB VAL A 34 4.484 0.934 1.201 1.00 0.00 C ATOM 513 CG1 VAL A 34 5.106 0.530 -0.126 1.00 0.00 C ATOM 514 CG2 VAL A 34 2.973 0.757 1.168 1.00 0.00 C ATOM 0 H VAL A 34 4.062 1.392 3.664 1.00 0.00 H new ATOM 0 HA VAL A 34 4.906 -0.939 2.185 1.00 0.00 H new ATOM 0 HB VAL A 34 4.699 1.989 1.369 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.660 1.116 -0.930 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.180 0.714 -0.095 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.924 -0.530 -0.305 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.556 1.339 0.346 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.733 -0.297 1.025 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.546 1.102 2.110 1.00 0.00 H new ATOM 524 N LEU A 35 7.350 -0.508 1.722 1.00 0.00 N ATOM 525 CA LEU A 35 8.803 -0.390 1.675 1.00 0.00 C ATOM 526 C LEU A 35 9.294 -0.279 0.235 1.00 0.00 C ATOM 527 O LEU A 35 9.976 0.680 -0.127 1.00 0.00 O ATOM 528 CB LEU A 35 9.455 -1.595 2.357 1.00 0.00 C ATOM 529 CG LEU A 35 9.130 -1.783 3.839 1.00 0.00 C ATOM 530 CD1 LEU A 35 9.266 -3.246 4.233 1.00 0.00 C ATOM 531 CD2 LEU A 35 10.035 -0.912 4.698 1.00 0.00 C ATOM 0 H LEU A 35 6.975 -1.303 1.205 1.00 0.00 H new ATOM 0 HA LEU A 35 9.086 0.518 2.207 1.00 0.00 H new ATOM 0 HB2 LEU A 35 9.155 -2.496 1.822 1.00 0.00 H new ATOM 0 HB3 LEU A 35 10.536 -1.506 2.251 1.00 0.00 H new ATOM 0 HG LEU A 35 8.098 -1.476 4.007 1.00 0.00 H new ATOM 0 HD11 LEU A 35 9.031 -3.361 5.291 1.00 0.00 H new ATOM 0 HD12 LEU A 35 8.577 -3.848 3.641 1.00 0.00 H new ATOM 0 HD13 LEU A 35 10.288 -3.579 4.050 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.790 -1.059 5.750 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.075 -1.188 4.526 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.889 0.135 4.434 1.00 0.00 H new ATOM 543 N ASP A 36 8.941 -1.265 -0.582 1.00 0.00 N ATOM 544 CA ASP A 36 9.343 -1.277 -1.984 1.00 0.00 C ATOM 545 C ASP A 36 8.126 -1.180 -2.899 1.00 0.00 C ATOM 546 O ASP A 36 7.554 -2.194 -3.299 1.00 0.00 O ATOM 547 CB ASP A 36 10.133 -2.548 -2.300 1.00 0.00 C ATOM 548 CG ASP A 36 10.730 -2.528 -3.693 1.00 0.00 C ATOM 549 OD1 ASP A 36 10.016 -2.897 -4.650 1.00 0.00 O ATOM 550 OD2 ASP A 36 11.909 -2.142 -3.828 1.00 0.00 O ATOM 0 H ASP A 36 8.377 -2.066 -0.298 1.00 0.00 H new ATOM 0 HA ASP A 36 9.979 -0.410 -2.161 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.931 -2.667 -1.568 1.00 0.00 H new ATOM 0 HB3 ASP A 36 9.478 -3.413 -2.201 1.00 0.00 H new ATOM 555 N HIS A 37 7.735 0.048 -3.226 1.00 0.00 N ATOM 556 CA HIS A 37 6.585 0.278 -4.094 1.00 0.00 C ATOM 557 C HIS A 37 7.033 0.697 -5.491 1.00 0.00 C ATOM 558 O HIS A 37 6.467 1.613 -6.086 1.00 0.00 O ATOM 559 CB HIS A 37 5.674 1.349 -3.495 1.00 0.00 C ATOM 560 CG HIS A 37 6.366 2.654 -3.246 1.00 0.00 C ATOM 561 ND1 HIS A 37 6.401 3.676 -4.170 1.00 0.00 N ATOM 562 CD2 HIS A 37 7.052 3.099 -2.167 1.00 0.00 C ATOM 563 CE1 HIS A 37 7.080 4.694 -3.671 1.00 0.00 C ATOM 564 NE2 HIS A 37 7.486 4.370 -2.457 1.00 0.00 N ATOM 0 H HIS A 37 8.197 0.898 -2.903 1.00 0.00 H new ATOM 0 HA HIS A 37 6.030 -0.657 -4.175 1.00 0.00 H new ATOM 0 HB2 HIS A 37 4.833 1.516 -4.167 1.00 0.00 H new ATOM 0 HB3 HIS A 37 5.263 0.980 -2.555 1.00 0.00 H new ATOM 0 HD1 HIS A 37 5.970 3.651 -5.094 1.00 0.00 H new ATOM 0 HD2 HIS A 37 7.226 2.556 -1.250 1.00 0.00 H new ATOM 0 HE1 HIS A 37 7.271 5.632 -4.171 1.00 0.00 H new ATOM 573 N SER A 38 8.055 0.021 -6.007 1.00 0.00 N ATOM 574 CA SER A 38 8.583 0.326 -7.331 1.00 0.00 C ATOM 575 C SER A 38 8.215 -0.769 -8.328 1.00 0.00 C ATOM 576 O SER A 38 7.569 -0.510 -9.344 1.00 0.00 O ATOM 577 CB SER A 38 10.103 0.490 -7.273 1.00 0.00 C ATOM 578 OG SER A 38 10.632 0.798 -8.551 1.00 0.00 O ATOM 0 H SER A 38 8.534 -0.742 -5.528 1.00 0.00 H new ATOM 0 HA SER A 38 8.137 1.263 -7.666 1.00 0.00 H new ATOM 0 HB2 SER A 38 10.360 1.282 -6.569 1.00 0.00 H new ATOM 0 HB3 SER A 38 10.557 -0.428 -6.900 1.00 0.00 H new ATOM 0 HG SER A 38 11.605 0.899 -8.487 1.00 0.00 H new ATOM 584 N LYS A 39 8.633 -1.995 -8.031 1.00 0.00 N ATOM 585 CA LYS A 39 8.348 -3.132 -8.898 1.00 0.00 C ATOM 586 C LYS A 39 6.857 -3.452 -8.904 1.00 0.00 C ATOM 587 O LYS A 39 6.094 -2.915 -8.101 1.00 0.00 O ATOM 588 CB LYS A 39 9.142 -4.358 -8.442 1.00 0.00 C ATOM 589 CG LYS A 39 10.587 -4.356 -8.911 1.00 0.00 C ATOM 590 CD LYS A 39 11.490 -3.628 -7.930 1.00 0.00 C ATOM 591 CE LYS A 39 12.901 -4.196 -7.944 1.00 0.00 C ATOM 592 NZ LYS A 39 13.764 -3.513 -8.947 1.00 0.00 N ATOM 0 H LYS A 39 9.171 -2.226 -7.196 1.00 0.00 H new ATOM 0 HA LYS A 39 8.648 -2.868 -9.912 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.122 -4.409 -7.353 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.650 -5.257 -8.812 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.933 -5.383 -9.032 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.652 -3.880 -9.889 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.521 -2.568 -8.180 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.075 -3.706 -6.925 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.344 -4.093 -6.953 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.861 -5.262 -8.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 14.717 -3.929 -8.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.355 -3.633 -9.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.823 -2.500 -8.721 1.00 0.00 H new ATOM 606 N ARG A 40 6.449 -4.331 -9.813 1.00 0.00 N ATOM 607 CA ARG A 40 5.049 -4.723 -9.922 1.00 0.00 C ATOM 608 C ARG A 40 4.426 -4.909 -8.541 1.00 0.00 C ATOM 609 O ARG A 40 3.505 -4.186 -8.163 1.00 0.00 O ATOM 610 CB ARG A 40 4.920 -6.016 -10.730 1.00 0.00 C ATOM 611 CG ARG A 40 3.482 -6.453 -10.955 1.00 0.00 C ATOM 612 CD ARG A 40 2.841 -5.691 -12.104 1.00 0.00 C ATOM 613 NE ARG A 40 3.312 -6.164 -13.403 1.00 0.00 N ATOM 614 CZ ARG A 40 2.725 -5.854 -14.554 1.00 0.00 C ATOM 615 NH1 ARG A 40 1.651 -5.077 -14.567 1.00 0.00 N ATOM 616 NH2 ARG A 40 3.212 -6.323 -15.696 1.00 0.00 N ATOM 0 H ARG A 40 7.068 -4.785 -10.485 1.00 0.00 H new ATOM 0 HA ARG A 40 4.514 -3.925 -10.438 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.405 -5.880 -11.697 1.00 0.00 H new ATOM 0 HB3 ARG A 40 5.456 -6.812 -10.213 1.00 0.00 H new ATOM 0 HG2 ARG A 40 3.454 -7.522 -11.166 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.905 -6.293 -10.044 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.758 -5.798 -12.050 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.062 -4.628 -12.003 1.00 0.00 H new ATOM 0 HE ARG A 40 4.136 -6.765 -13.428 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.273 -4.715 -13.692 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.203 -4.841 -15.452 1.00 0.00 H new ATOM 0 HH21 ARG A 40 4.038 -6.922 -15.691 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.761 -6.084 -16.579 1.00 0.00 H new ATOM 630 N TRP A 41 4.936 -5.882 -7.795 1.00 0.00 N ATOM 631 CA TRP A 41 4.430 -6.163 -6.457 1.00 0.00 C ATOM 632 C TRP A 41 5.038 -5.211 -5.433 1.00 0.00 C ATOM 633 O TRP A 41 6.185 -4.786 -5.573 1.00 0.00 O ATOM 634 CB TRP A 41 4.734 -7.611 -6.068 1.00 0.00 C ATOM 635 CG TRP A 41 3.775 -8.599 -6.660 1.00 0.00 C ATOM 636 CD1 TRP A 41 3.484 -8.766 -7.984 1.00 0.00 C ATOM 637 CD2 TRP A 41 2.981 -9.555 -5.948 1.00 0.00 C ATOM 638 NE1 TRP A 41 2.556 -9.768 -8.138 1.00 0.00 N ATOM 639 CE2 TRP A 41 2.232 -10.268 -6.905 1.00 0.00 C ATOM 640 CE3 TRP A 41 2.831 -9.878 -4.597 1.00 0.00 C ATOM 641 CZ2 TRP A 41 1.348 -11.283 -6.550 1.00 0.00 C ATOM 642 CZ3 TRP A 41 1.953 -10.886 -4.247 1.00 0.00 C ATOM 643 CH2 TRP A 41 1.221 -11.579 -5.220 1.00 0.00 C ATOM 0 H TRP A 41 5.699 -6.489 -8.094 1.00 0.00 H new ATOM 0 HA TRP A 41 3.350 -6.015 -6.466 1.00 0.00 H new ATOM 0 HB2 TRP A 41 5.746 -7.861 -6.388 1.00 0.00 H new ATOM 0 HB3 TRP A 41 4.712 -7.700 -4.982 1.00 0.00 H new ATOM 0 HD1 TRP A 41 3.919 -8.195 -8.791 1.00 0.00 H new ATOM 0 HE1 TRP A 41 2.171 -10.088 -9.027 1.00 0.00 H new ATOM 0 HE3 TRP A 41 3.391 -9.349 -3.840 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 0.782 -11.818 -7.298 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 1.829 -11.144 -3.206 1.00 0.00 H new ATOM 0 HH2 TRP A 41 0.543 -12.362 -4.914 1.00 0.00 H new ATOM 654 N TRP A 42 4.264 -4.879 -4.407 1.00 0.00 N ATOM 655 CA TRP A 42 4.728 -3.976 -3.360 1.00 0.00 C ATOM 656 C TRP A 42 5.063 -4.745 -2.087 1.00 0.00 C ATOM 657 O TRP A 42 4.352 -5.676 -1.707 1.00 0.00 O ATOM 658 CB TRP A 42 3.666 -2.915 -3.066 1.00 0.00 C ATOM 659 CG TRP A 42 3.474 -1.939 -4.187 1.00 0.00 C ATOM 660 CD1 TRP A 42 3.696 -2.164 -5.516 1.00 0.00 C ATOM 661 CD2 TRP A 42 3.024 -0.585 -4.077 1.00 0.00 C ATOM 662 NE1 TRP A 42 3.410 -1.031 -6.238 1.00 0.00 N ATOM 663 CE2 TRP A 42 2.995 -0.048 -5.379 1.00 0.00 C ATOM 664 CE3 TRP A 42 2.640 0.226 -3.006 1.00 0.00 C ATOM 665 CZ2 TRP A 42 2.599 1.262 -5.635 1.00 0.00 C ATOM 666 CZ3 TRP A 42 2.248 1.527 -3.262 1.00 0.00 C ATOM 667 CH2 TRP A 42 2.229 2.034 -4.568 1.00 0.00 C ATOM 0 H TRP A 42 3.312 -5.221 -4.277 1.00 0.00 H new ATOM 0 HA TRP A 42 5.634 -3.484 -3.714 1.00 0.00 H new ATOM 0 HB2 TRP A 42 2.717 -3.409 -2.858 1.00 0.00 H new ATOM 0 HB3 TRP A 42 3.947 -2.371 -2.164 1.00 0.00 H new ATOM 0 HD1 TRP A 42 4.045 -3.095 -5.937 1.00 0.00 H new ATOM 0 HE1 TRP A 42 3.493 -0.937 -7.250 1.00 0.00 H new ATOM 0 HE3 TRP A 42 2.649 -0.157 -1.996 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 2.584 1.655 -6.641 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.951 2.163 -2.441 1.00 0.00 H new ATOM 0 HH2 TRP A 42 1.916 3.054 -4.736 1.00 0.00 H new ATOM 678 N LEU A 43 6.148 -4.350 -1.431 1.00 0.00 N ATOM 679 CA LEU A 43 6.577 -5.003 -0.199 1.00 0.00 C ATOM 680 C LEU A 43 6.142 -4.200 1.023 1.00 0.00 C ATOM 681 O LEU A 43 6.445 -3.012 1.138 1.00 0.00 O ATOM 682 CB LEU A 43 8.097 -5.178 -0.193 1.00 0.00 C ATOM 683 CG LEU A 43 8.719 -5.606 1.136 1.00 0.00 C ATOM 684 CD1 LEU A 43 8.398 -7.064 1.431 1.00 0.00 C ATOM 685 CD2 LEU A 43 10.224 -5.382 1.118 1.00 0.00 C ATOM 0 H LEU A 43 6.747 -3.581 -1.731 1.00 0.00 H new ATOM 0 HA LEU A 43 6.104 -5.984 -0.154 1.00 0.00 H new ATOM 0 HB2 LEU A 43 8.360 -5.918 -0.949 1.00 0.00 H new ATOM 0 HB3 LEU A 43 8.552 -4.235 -0.497 1.00 0.00 H new ATOM 0 HG LEU A 43 8.291 -4.993 1.929 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.849 -7.351 2.381 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.317 -7.194 1.488 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.797 -7.693 0.635 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.649 -5.692 2.072 1.00 0.00 H new ATOM 0 HD22 LEU A 43 10.670 -5.968 0.314 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.433 -4.325 0.954 1.00 0.00 H new ATOM 697 N VAL A 44 5.432 -4.856 1.935 1.00 0.00 N ATOM 698 CA VAL A 44 4.959 -4.205 3.150 1.00 0.00 C ATOM 699 C VAL A 44 5.354 -4.999 4.390 1.00 0.00 C ATOM 700 O VAL A 44 5.806 -6.140 4.292 1.00 0.00 O ATOM 701 CB VAL A 44 3.428 -4.029 3.133 1.00 0.00 C ATOM 702 CG1 VAL A 44 2.997 -3.223 1.917 1.00 0.00 C ATOM 703 CG2 VAL A 44 2.737 -5.384 3.157 1.00 0.00 C ATOM 0 H VAL A 44 5.172 -5.839 1.855 1.00 0.00 H new ATOM 0 HA VAL A 44 5.431 -3.223 3.186 1.00 0.00 H new ATOM 0 HB VAL A 44 3.132 -3.479 4.027 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.913 -3.109 1.922 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.466 -2.239 1.948 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.303 -3.742 1.009 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.656 -5.242 3.145 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.037 -5.961 2.282 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.022 -5.922 4.061 1.00 0.00 H new ATOM 713 N LYS A 45 5.181 -4.389 5.557 1.00 0.00 N ATOM 714 CA LYS A 45 5.517 -5.038 6.818 1.00 0.00 C ATOM 715 C LYS A 45 4.424 -4.810 7.857 1.00 0.00 C ATOM 716 O LYS A 45 3.635 -3.872 7.745 1.00 0.00 O ATOM 717 CB LYS A 45 6.855 -4.513 7.345 1.00 0.00 C ATOM 718 CG LYS A 45 7.616 -5.523 8.186 1.00 0.00 C ATOM 719 CD LYS A 45 9.111 -5.250 8.166 1.00 0.00 C ATOM 720 CE LYS A 45 9.521 -4.311 9.290 1.00 0.00 C ATOM 721 NZ LYS A 45 10.993 -4.081 9.311 1.00 0.00 N ATOM 0 H LYS A 45 4.809 -3.444 5.656 1.00 0.00 H new ATOM 0 HA LYS A 45 5.601 -6.109 6.635 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.476 -4.214 6.501 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.675 -3.618 7.941 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.253 -5.490 9.213 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.424 -6.528 7.812 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.655 -6.190 8.259 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.390 -4.814 7.207 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.006 -3.358 9.173 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.205 -4.729 10.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.232 -3.436 10.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.484 -4.987 9.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.291 -3.659 8.409 1.00 0.00 H new ATOM 735 N ASN A 46 4.385 -5.672 8.868 1.00 0.00 N ATOM 736 CA ASN A 46 3.388 -5.562 9.927 1.00 0.00 C ATOM 737 C ASN A 46 4.046 -5.217 11.259 1.00 0.00 C ATOM 738 O ASN A 46 5.256 -5.004 11.328 1.00 0.00 O ATOM 739 CB ASN A 46 2.605 -6.871 10.056 1.00 0.00 C ATOM 740 CG ASN A 46 3.507 -8.090 10.020 1.00 0.00 C ATOM 741 OD1 ASN A 46 4.670 -8.028 10.418 1.00 0.00 O ATOM 742 ND2 ASN A 46 2.972 -9.207 9.540 1.00 0.00 N ATOM 0 H ASN A 46 5.031 -6.454 8.976 1.00 0.00 H new ATOM 0 HA ASN A 46 2.700 -4.759 9.663 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.044 -6.865 10.990 1.00 0.00 H new ATOM 0 HB3 ASN A 46 1.877 -6.937 9.247 1.00 0.00 H new ATOM 0 HD21 ASN A 46 3.530 -10.059 9.490 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.003 -9.212 9.221 1.00 0.00 H new ATOM 749 N GLU A 47 3.241 -5.164 12.315 1.00 0.00 N ATOM 750 CA GLU A 47 3.746 -4.845 13.645 1.00 0.00 C ATOM 751 C GLU A 47 4.681 -5.940 14.150 1.00 0.00 C ATOM 752 O GLU A 47 5.666 -5.663 14.833 1.00 0.00 O ATOM 753 CB GLU A 47 2.585 -4.659 14.625 1.00 0.00 C ATOM 754 CG GLU A 47 2.029 -3.245 14.648 1.00 0.00 C ATOM 755 CD GLU A 47 1.820 -2.677 13.258 1.00 0.00 C ATOM 756 OE1 GLU A 47 0.811 -3.036 12.616 1.00 0.00 O ATOM 757 OE2 GLU A 47 2.666 -1.874 12.812 1.00 0.00 O ATOM 0 H GLU A 47 2.237 -5.338 12.275 1.00 0.00 H new ATOM 0 HA GLU A 47 4.308 -3.914 13.578 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.785 -5.351 14.363 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.920 -4.925 15.627 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.080 -3.241 15.185 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.711 -2.599 15.201 1.00 0.00 H new ATOM 764 N ALA A 48 4.363 -7.185 13.809 1.00 0.00 N ATOM 765 CA ALA A 48 5.175 -8.321 14.225 1.00 0.00 C ATOM 766 C ALA A 48 6.611 -8.180 13.733 1.00 0.00 C ATOM 767 O ALA A 48 7.558 -8.511 14.447 1.00 0.00 O ATOM 768 CB ALA A 48 4.566 -9.619 13.716 1.00 0.00 C ATOM 0 H ALA A 48 3.549 -7.432 13.246 1.00 0.00 H new ATOM 0 HA ALA A 48 5.193 -8.343 15.315 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.183 -10.460 14.034 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.561 -9.733 14.121 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.518 -9.596 12.627 1.00 0.00 H new ATOM 774 N GLY A 49 6.767 -7.686 12.509 1.00 0.00 N ATOM 775 CA GLY A 49 8.092 -7.511 11.942 1.00 0.00 C ATOM 776 C GLY A 49 8.263 -8.248 10.629 1.00 0.00 C ATOM 777 O GLY A 49 9.252 -8.050 9.923 1.00 0.00 O ATOM 0 H GLY A 49 6.000 -7.404 11.899 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.279 -6.449 11.786 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.838 -7.865 12.654 1.00 0.00 H new ATOM 781 N ARG A 50 7.298 -9.101 10.301 1.00 0.00 N ATOM 782 CA ARG A 50 7.348 -9.872 9.065 1.00 0.00 C ATOM 783 C ARG A 50 6.951 -9.010 7.870 1.00 0.00 C ATOM 784 O ARG A 50 5.925 -8.331 7.895 1.00 0.00 O ATOM 785 CB ARG A 50 6.425 -11.088 9.159 1.00 0.00 C ATOM 786 CG ARG A 50 6.988 -12.216 10.009 1.00 0.00 C ATOM 787 CD ARG A 50 6.619 -12.048 11.474 1.00 0.00 C ATOM 788 NE ARG A 50 7.627 -12.622 12.362 1.00 0.00 N ATOM 789 CZ ARG A 50 7.877 -13.924 12.444 1.00 0.00 C ATOM 790 NH1 ARG A 50 7.198 -14.782 11.695 1.00 0.00 N ATOM 791 NH2 ARG A 50 8.810 -14.371 13.276 1.00 0.00 N ATOM 0 H ARG A 50 6.472 -9.275 10.874 1.00 0.00 H new ATOM 0 HA ARG A 50 8.373 -10.213 8.921 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.467 -10.775 9.574 1.00 0.00 H new ATOM 0 HB3 ARG A 50 6.230 -11.464 8.155 1.00 0.00 H new ATOM 0 HG2 ARG A 50 6.610 -13.171 9.645 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.073 -12.243 9.907 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.500 -10.988 11.698 1.00 0.00 H new ATOM 0 HD3 ARG A 50 5.657 -12.524 11.662 1.00 0.00 H new ATOM 0 HE ARG A 50 8.168 -11.989 12.951 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.481 -14.443 11.053 1.00 0.00 H new ATOM 0 HH12 ARG A 50 7.392 -15.781 11.760 1.00 0.00 H new ATOM 0 HH21 ARG A 50 9.336 -13.714 13.853 1.00 0.00 H new ATOM 0 HH22 ARG A 50 9.001 -15.371 13.338 1.00 0.00 H new ATOM 805 N SER A 51 7.771 -9.044 6.824 1.00 0.00 N ATOM 806 CA SER A 51 7.508 -8.262 5.621 1.00 0.00 C ATOM 807 C SER A 51 7.387 -9.169 4.400 1.00 0.00 C ATOM 808 O SER A 51 8.273 -9.976 4.121 1.00 0.00 O ATOM 809 CB SER A 51 8.621 -7.237 5.400 1.00 0.00 C ATOM 810 OG SER A 51 9.898 -7.820 5.595 1.00 0.00 O ATOM 0 H SER A 51 8.622 -9.604 6.785 1.00 0.00 H new ATOM 0 HA SER A 51 6.563 -7.737 5.758 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.553 -6.833 4.390 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.491 -6.401 6.087 1.00 0.00 H new ATOM 0 HG SER A 51 9.931 -8.692 5.148 1.00 0.00 H new ATOM 816 N GLY A 52 6.281 -9.030 3.675 1.00 0.00 N ATOM 817 CA GLY A 52 6.062 -9.842 2.493 1.00 0.00 C ATOM 818 C GLY A 52 5.674 -9.014 1.284 1.00 0.00 C ATOM 819 O GLY A 52 5.333 -7.838 1.412 1.00 0.00 O ATOM 0 H GLY A 52 5.533 -8.369 3.886 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.969 -10.404 2.269 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.278 -10.571 2.697 1.00 0.00 H new ATOM 823 N TYR A 53 5.726 -9.628 0.107 1.00 0.00 N ATOM 824 CA TYR A 53 5.380 -8.938 -1.130 1.00 0.00 C ATOM 825 C TYR A 53 3.904 -9.127 -1.465 1.00 0.00 C ATOM 826 O TYR A 53 3.467 -10.229 -1.797 1.00 0.00 O ATOM 827 CB TYR A 53 6.246 -9.450 -2.283 1.00 0.00 C ATOM 828 CG TYR A 53 7.719 -9.155 -2.112 1.00 0.00 C ATOM 829 CD1 TYR A 53 8.248 -7.926 -2.487 1.00 0.00 C ATOM 830 CD2 TYR A 53 8.581 -10.103 -1.577 1.00 0.00 C ATOM 831 CE1 TYR A 53 9.594 -7.651 -2.334 1.00 0.00 C ATOM 832 CE2 TYR A 53 9.927 -9.837 -1.418 1.00 0.00 C ATOM 833 CZ TYR A 53 10.429 -8.609 -1.798 1.00 0.00 C ATOM 834 OH TYR A 53 11.769 -8.340 -1.643 1.00 0.00 O ATOM 0 H TYR A 53 6.004 -10.602 -0.016 1.00 0.00 H new ATOM 0 HA TYR A 53 5.568 -7.874 -0.988 1.00 0.00 H new ATOM 0 HB2 TYR A 53 6.109 -10.527 -2.379 1.00 0.00 H new ATOM 0 HB3 TYR A 53 5.900 -9.000 -3.214 1.00 0.00 H new ATOM 0 HD1 TYR A 53 7.596 -7.173 -2.905 1.00 0.00 H new ATOM 0 HD2 TYR A 53 8.192 -11.066 -1.280 1.00 0.00 H new ATOM 0 HE1 TYR A 53 9.990 -6.691 -2.632 1.00 0.00 H new ATOM 0 HE2 TYR A 53 10.583 -10.586 -0.999 1.00 0.00 H new ATOM 0 HH TYR A 53 12.216 -9.119 -1.251 1.00 0.00 H new ATOM 844 N ILE A 54 3.141 -8.042 -1.378 1.00 0.00 N ATOM 845 CA ILE A 54 1.714 -8.087 -1.673 1.00 0.00 C ATOM 846 C ILE A 54 1.384 -7.264 -2.913 1.00 0.00 C ATOM 847 O ILE A 54 2.056 -6.284 -3.236 1.00 0.00 O ATOM 848 CB ILE A 54 0.878 -7.568 -0.488 1.00 0.00 C ATOM 849 CG1 ILE A 54 1.101 -6.066 -0.298 1.00 0.00 C ATOM 850 CG2 ILE A 54 1.231 -8.327 0.782 1.00 0.00 C ATOM 851 CD1 ILE A 54 0.105 -5.422 0.641 1.00 0.00 C ATOM 0 H ILE A 54 3.487 -7.122 -1.106 1.00 0.00 H new ATOM 0 HA ILE A 54 1.461 -9.132 -1.855 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.177 -7.735 -0.705 1.00 0.00 H new ATOM 0 HG12 ILE A 54 2.108 -5.902 0.085 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.045 -5.573 -1.268 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.632 -7.949 1.610 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.026 -9.388 0.641 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.289 -8.189 1.006 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.323 -4.358 0.729 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.903 -5.555 0.249 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.177 -5.889 1.623 1.00 0.00 H new ATOM 863 N PRO A 55 0.322 -7.669 -3.626 1.00 0.00 N ATOM 864 CA PRO A 55 -0.124 -6.982 -4.842 1.00 0.00 C ATOM 865 C PRO A 55 -0.722 -5.610 -4.546 1.00 0.00 C ATOM 866 O PRO A 55 -1.684 -5.493 -3.788 1.00 0.00 O ATOM 867 CB PRO A 55 -1.192 -7.920 -5.408 1.00 0.00 C ATOM 868 CG PRO A 55 -1.698 -8.674 -4.228 1.00 0.00 C ATOM 869 CD PRO A 55 -0.525 -8.829 -3.300 1.00 0.00 C ATOM 0 HA PRO A 55 0.701 -6.791 -5.528 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.992 -7.361 -5.894 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -0.772 -8.592 -6.157 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.512 -8.136 -3.741 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -2.091 -9.646 -4.526 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -0.835 -8.819 -2.255 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.001 -9.770 -3.468 1.00 0.00 H new ATOM 877 N SER A 56 -0.146 -4.576 -5.150 1.00 0.00 N ATOM 878 CA SER A 56 -0.621 -3.212 -4.949 1.00 0.00 C ATOM 879 C SER A 56 -2.127 -3.122 -5.173 1.00 0.00 C ATOM 880 O SER A 56 -2.774 -2.167 -4.746 1.00 0.00 O ATOM 881 CB SER A 56 0.105 -2.252 -5.893 1.00 0.00 C ATOM 882 OG SER A 56 -0.526 -0.983 -5.915 1.00 0.00 O ATOM 0 H SER A 56 0.650 -4.657 -5.783 1.00 0.00 H new ATOM 0 HA SER A 56 -0.407 -2.928 -3.919 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.142 -2.140 -5.576 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.122 -2.670 -6.899 1.00 0.00 H new ATOM 0 HG SER A 56 -0.042 -0.387 -6.524 1.00 0.00 H new ATOM 888 N ASN A 57 -2.680 -4.126 -5.846 1.00 0.00 N ATOM 889 CA ASN A 57 -4.110 -4.162 -6.129 1.00 0.00 C ATOM 890 C ASN A 57 -4.921 -4.128 -4.837 1.00 0.00 C ATOM 891 O ASN A 57 -6.016 -3.567 -4.794 1.00 0.00 O ATOM 892 CB ASN A 57 -4.461 -5.416 -6.932 1.00 0.00 C ATOM 893 CG ASN A 57 -5.935 -5.763 -6.847 1.00 0.00 C ATOM 894 OD1 ASN A 57 -6.346 -6.576 -6.018 1.00 0.00 O ATOM 895 ND2 ASN A 57 -6.739 -5.146 -7.705 1.00 0.00 N ATOM 0 H ASN A 57 -2.159 -4.926 -6.206 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.361 -3.280 -6.718 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.186 -5.265 -7.976 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.871 -6.256 -6.565 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.741 -5.338 -7.694 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.355 -4.480 -8.375 1.00 0.00 H new ATOM 902 N ILE A 58 -4.375 -4.732 -3.787 1.00 0.00 N ATOM 903 CA ILE A 58 -5.046 -4.770 -2.494 1.00 0.00 C ATOM 904 C ILE A 58 -4.514 -3.683 -1.566 1.00 0.00 C ATOM 905 O ILE A 58 -4.480 -3.854 -0.347 1.00 0.00 O ATOM 906 CB ILE A 58 -4.877 -6.140 -1.811 1.00 0.00 C ATOM 907 CG1 ILE A 58 -3.416 -6.357 -1.410 1.00 0.00 C ATOM 908 CG2 ILE A 58 -5.350 -7.253 -2.733 1.00 0.00 C ATOM 909 CD1 ILE A 58 -3.241 -7.339 -0.273 1.00 0.00 C ATOM 0 H ILE A 58 -3.470 -5.202 -3.807 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.105 -4.596 -2.684 1.00 0.00 H new ATOM 0 HB ILE A 58 -5.488 -6.158 -0.909 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.859 -6.714 -2.276 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.980 -5.400 -1.123 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -5.224 -8.215 -2.236 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -6.403 -7.104 -2.973 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.763 -7.239 -3.651 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.181 -7.443 -0.042 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.770 -6.974 0.608 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.646 -8.308 -0.564 1.00 0.00 H new ATOM 921 N LEU A 59 -4.100 -2.564 -2.151 1.00 0.00 N ATOM 922 CA LEU A 59 -3.571 -1.447 -1.377 1.00 0.00 C ATOM 923 C LEU A 59 -4.220 -0.134 -1.802 1.00 0.00 C ATOM 924 O LEU A 59 -4.236 0.207 -2.985 1.00 0.00 O ATOM 925 CB LEU A 59 -2.053 -1.357 -1.546 1.00 0.00 C ATOM 926 CG LEU A 59 -1.226 -2.335 -0.711 1.00 0.00 C ATOM 927 CD1 LEU A 59 0.243 -1.942 -0.730 1.00 0.00 C ATOM 928 CD2 LEU A 59 -1.747 -2.390 0.717 1.00 0.00 C ATOM 0 H LEU A 59 -4.121 -2.407 -3.159 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.804 -1.623 -0.327 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.814 -1.516 -2.598 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.739 -0.343 -1.298 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.321 -3.328 -1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.817 -2.649 -0.131 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.610 -1.955 -1.756 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.357 -0.940 -0.317 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.146 -3.091 1.297 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.682 -1.399 1.166 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.786 -2.719 0.713 1.00 0.00 H new ATOM 940 N GLU A 60 -4.752 0.600 -0.830 1.00 0.00 N ATOM 941 CA GLU A 60 -5.401 1.876 -1.104 1.00 0.00 C ATOM 942 C GLU A 60 -4.636 3.026 -0.456 1.00 0.00 C ATOM 943 O GLU A 60 -3.883 2.843 0.501 1.00 0.00 O ATOM 944 CB GLU A 60 -6.845 1.860 -0.598 1.00 0.00 C ATOM 945 CG GLU A 60 -7.846 1.368 -1.629 1.00 0.00 C ATOM 946 CD GLU A 60 -8.159 2.412 -2.683 1.00 0.00 C ATOM 947 OE1 GLU A 60 -7.436 2.463 -3.700 1.00 0.00 O ATOM 948 OE2 GLU A 60 -9.126 3.178 -2.491 1.00 0.00 O ATOM 0 H GLU A 60 -4.746 0.333 0.154 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.404 2.027 -2.183 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.904 1.225 0.286 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.123 2.867 -0.286 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.453 0.474 -2.114 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.768 1.078 -1.125 1.00 0.00 H new ATOM 955 N PRO A 61 -4.833 4.242 -0.988 1.00 0.00 N ATOM 956 CA PRO A 61 -4.171 5.446 -0.477 1.00 0.00 C ATOM 957 C PRO A 61 -4.692 5.856 0.896 1.00 0.00 C ATOM 958 O PRO A 61 -5.577 6.705 1.008 1.00 0.00 O ATOM 959 CB PRO A 61 -4.518 6.511 -1.520 1.00 0.00 C ATOM 960 CG PRO A 61 -5.787 6.036 -2.138 1.00 0.00 C ATOM 961 CD PRO A 61 -5.716 4.534 -2.129 1.00 0.00 C ATOM 0 HA PRO A 61 -3.100 5.295 -0.341 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.645 7.490 -1.059 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.728 6.609 -2.264 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -6.651 6.389 -1.575 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -5.892 6.416 -3.154 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -6.701 4.086 -2.000 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -5.309 4.145 -3.062 1.00 0.00 H new