USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 528 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 52 LYS NZ :NH3+ -175:sc= 1.24 (180deg=0) USER MOD Set 1.2: A 62 TYR OH : rot 180:sc= 1.12 USER MOD Set 2.1: A 35 CYS SG : rot -145:sc= 0.407 USER MOD Set 2.2: A 38 CYS SG : rot 77:sc= 0.652 USER MOD Set 2.3: A 58 CYS SG : rot 180:sc= -0.601 USER MOD Set 2.4: A 60 ASN : amide:sc= -0.912 K(o=-0.45,f=-2.2!) USER MOD Set 3.1: A 8 CYS SG : rot 136:sc= -1.85! USER MOD Set 3.2: A 11 CYS SG : rot -47:sc= 0.617 USER MOD Set 3.3: A 29 HIS : no HE2:sc= -1.47 K(o=-6,f=-11!) USER MOD Set 3.4: A 32 CYS SG : rot -160:sc= -3.32! USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot -26:sc= 0.0314 USER MOD Single : A 30 SER OG : rot -125:sc= 1.34 USER MOD Single : A 34 LYS NZ :NH3+ -174:sc= 1.36 (180deg=1.27) USER MOD Single : A 36 SER OG : rot 43:sc= 0.737 USER MOD Single : A 37 SER OG : rot 78:sc= 1.2 USER MOD Single : A 39 GLN : amide:sc= -0.183 K(o=-0.18,f=-2.2!) USER MOD Single : A 41 GLN : amide:sc=-0.00172 K(o=-0.0017,f=-2.1!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0439 USER MOD Single : A 48 SER OG : rot -38:sc= 1.23 USER MOD Single : A 49 SER OG : rot 174:sc= -2.8! USER MOD Single : A 50 TYR OH : rot 130:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0343 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 178:sc= -1.09 (180deg=-1.12) USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.921 USER MOD ----------------------------------------------------------------- ATOM 97 N ARG A 7 -9.419 -2.344 -2.209 1.00 0.00 N ATOM 98 CA ARG A 7 -9.293 -2.971 -0.878 1.00 0.00 C ATOM 99 C ARG A 7 -7.979 -2.627 -0.161 1.00 0.00 C ATOM 100 O ARG A 7 -6.944 -2.426 -0.793 1.00 0.00 O ATOM 101 CB ARG A 7 -9.450 -4.497 -0.982 1.00 0.00 C ATOM 102 CG ARG A 7 -8.131 -5.252 -1.074 1.00 0.00 C ATOM 103 CD ARG A 7 -8.211 -6.608 -0.417 1.00 0.00 C ATOM 104 NE ARG A 7 -7.463 -6.653 0.834 1.00 0.00 N ATOM 105 CZ ARG A 7 -6.783 -7.720 1.258 1.00 0.00 C ATOM 106 NH1 ARG A 7 -6.847 -8.868 0.589 1.00 0.00 N ATOM 107 NH2 ARG A 7 -6.058 -7.642 2.366 1.00 0.00 N ATOM 0 HA ARG A 7 -10.099 -2.556 -0.272 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -10.001 -4.855 -0.113 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -10.052 -4.731 -1.860 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -7.854 -5.372 -2.121 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -7.343 -4.665 -0.601 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -9.255 -6.857 -0.225 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -7.823 -7.365 -1.099 1.00 0.00 H new ATOM 0 HE ARG A 7 -7.459 -5.818 1.420 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -7.418 -8.936 -0.253 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -6.325 -9.680 0.918 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -6.021 -6.768 2.891 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -5.537 -8.456 2.693 1.00 0.00 H new ATOM 121 N CYS A 8 -8.008 -2.687 1.172 1.00 0.00 N ATOM 122 CA CYS A 8 -6.801 -2.523 1.968 1.00 0.00 C ATOM 123 C CYS A 8 -6.004 -3.810 1.965 1.00 0.00 C ATOM 124 O CYS A 8 -6.445 -4.825 2.507 1.00 0.00 O ATOM 125 CB CYS A 8 -7.111 -2.133 3.417 1.00 0.00 C ATOM 126 SG CYS A 8 -5.624 -1.690 4.381 1.00 0.00 S ATOM 0 H CYS A 8 -8.855 -2.848 1.717 1.00 0.00 H new ATOM 0 HA CYS A 8 -6.225 -1.716 1.516 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.801 -1.289 3.419 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.620 -2.962 3.908 1.00 0.00 H new ATOM 0 HG CYS A 8 -5.862 -0.619 5.078 1.00 0.00 H new ATOM 131 N ALA A 9 -4.800 -3.746 1.429 1.00 0.00 N ATOM 132 CA ALA A 9 -3.907 -4.889 1.432 1.00 0.00 C ATOM 133 C ALA A 9 -3.184 -4.987 2.770 1.00 0.00 C ATOM 134 O ALA A 9 -2.387 -5.900 2.998 1.00 0.00 O ATOM 135 CB ALA A 9 -2.916 -4.788 0.287 1.00 0.00 C ATOM 0 H ALA A 9 -4.417 -2.912 0.985 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.495 -5.796 1.293 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.253 -5.653 0.303 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.455 -4.761 -0.660 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.327 -3.877 0.395 1.00 0.00 H new ATOM 141 N GLY A 10 -3.488 -4.052 3.660 1.00 0.00 N ATOM 142 CA GLY A 10 -2.882 -4.047 4.971 1.00 0.00 C ATOM 143 C GLY A 10 -3.618 -4.930 5.954 1.00 0.00 C ATOM 144 O GLY A 10 -3.000 -5.733 6.655 1.00 0.00 O ATOM 0 H GLY A 10 -4.149 -3.293 3.493 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.848 -4.382 4.891 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.858 -3.026 5.352 1.00 0.00 H new ATOM 148 N CYS A 11 -4.939 -4.800 6.007 1.00 0.00 N ATOM 149 CA CYS A 11 -5.725 -5.584 6.946 1.00 0.00 C ATOM 150 C CYS A 11 -6.691 -6.533 6.228 1.00 0.00 C ATOM 151 O CYS A 11 -6.262 -7.438 5.507 1.00 0.00 O ATOM 152 CB CYS A 11 -6.474 -4.657 7.915 1.00 0.00 C ATOM 153 SG CYS A 11 -7.522 -3.397 7.115 1.00 0.00 S ATOM 0 H CYS A 11 -5.480 -4.167 5.418 1.00 0.00 H new ATOM 0 HA CYS A 11 -5.039 -6.206 7.521 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -7.098 -5.266 8.569 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -5.745 -4.153 8.550 1.00 0.00 H new ATOM 0 HG CYS A 11 -6.850 -2.811 6.169 1.00 0.00 H new ATOM 158 N GLY A 12 -7.977 -6.379 6.507 1.00 0.00 N ATOM 159 CA GLY A 12 -8.975 -7.293 5.988 1.00 0.00 C ATOM 160 C GLY A 12 -9.279 -7.080 4.520 1.00 0.00 C ATOM 161 O GLY A 12 -9.055 -7.972 3.698 1.00 0.00 O ATOM 0 H GLY A 12 -8.350 -5.630 7.090 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.631 -8.317 6.136 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.895 -7.180 6.562 1.00 0.00 H new ATOM 165 N GLY A 13 -9.812 -5.914 4.190 1.00 0.00 N ATOM 166 CA GLY A 13 -10.166 -5.628 2.818 1.00 0.00 C ATOM 167 C GLY A 13 -10.941 -4.337 2.669 1.00 0.00 C ATOM 168 O GLY A 13 -10.395 -3.331 2.225 1.00 0.00 O ATOM 0 H GLY A 13 -10.006 -5.160 4.849 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.258 -5.573 2.217 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -10.761 -6.451 2.422 1.00 0.00 H new ATOM 172 N LYS A 14 -12.218 -4.366 3.019 1.00 0.00 N ATOM 173 CA LYS A 14 -13.072 -3.194 2.880 1.00 0.00 C ATOM 174 C LYS A 14 -12.634 -2.088 3.834 1.00 0.00 C ATOM 175 O LYS A 14 -12.469 -2.316 5.034 1.00 0.00 O ATOM 176 CB LYS A 14 -14.535 -3.563 3.139 1.00 0.00 C ATOM 177 CG LYS A 14 -15.321 -3.878 1.875 1.00 0.00 C ATOM 178 CD LYS A 14 -15.158 -5.329 1.462 1.00 0.00 C ATOM 179 CE LYS A 14 -15.642 -5.560 0.041 1.00 0.00 C ATOM 180 NZ LYS A 14 -17.126 -5.569 -0.047 1.00 0.00 N ATOM 0 H LYS A 14 -12.687 -5.187 3.401 1.00 0.00 H new ATOM 0 HA LYS A 14 -12.978 -2.826 1.858 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.570 -4.427 3.803 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -15.021 -2.739 3.662 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -16.377 -3.662 2.039 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -14.985 -3.229 1.066 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -14.109 -5.616 1.542 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -15.716 -5.968 2.146 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.245 -4.780 -0.609 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.251 -6.509 -0.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -17.414 -5.730 -1.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -17.505 -6.330 0.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -17.499 -4.654 0.278 1.00 0.00 H new ATOM 194 N ILE A 15 -12.415 -0.900 3.289 1.00 0.00 N ATOM 195 CA ILE A 15 -11.990 0.241 4.083 1.00 0.00 C ATOM 196 C ILE A 15 -13.172 1.154 4.381 1.00 0.00 C ATOM 197 O ILE A 15 -13.484 2.051 3.605 1.00 0.00 O ATOM 198 CB ILE A 15 -10.889 1.059 3.372 1.00 0.00 C ATOM 199 CG1 ILE A 15 -9.746 0.141 2.914 1.00 0.00 C ATOM 200 CG2 ILE A 15 -10.367 2.156 4.295 1.00 0.00 C ATOM 201 CD1 ILE A 15 -8.460 0.878 2.611 1.00 0.00 C ATOM 0 H ILE A 15 -12.526 -0.702 2.295 1.00 0.00 H new ATOM 0 HA ILE A 15 -11.582 -0.154 5.013 1.00 0.00 H new ATOM 0 HB ILE A 15 -11.320 1.529 2.488 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.555 -0.602 3.689 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -10.062 -0.402 2.023 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -9.592 2.725 3.782 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -11.186 2.822 4.568 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.950 1.706 5.196 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.698 0.166 2.294 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.634 1.602 1.815 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -8.119 1.399 3.506 1.00 0.00 H new ATOM 212 N ALA A 16 -13.798 0.951 5.529 1.00 0.00 N ATOM 213 CA ALA A 16 -14.909 1.793 5.945 1.00 0.00 C ATOM 214 C ALA A 16 -14.409 2.894 6.871 1.00 0.00 C ATOM 215 O ALA A 16 -15.140 3.391 7.728 1.00 0.00 O ATOM 216 CB ALA A 16 -15.978 0.953 6.629 1.00 0.00 C ATOM 0 H ALA A 16 -13.557 0.212 6.189 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.353 2.258 5.065 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -16.804 1.595 6.936 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.345 0.196 5.936 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -15.552 0.466 7.506 1.00 0.00 H new ATOM 222 N ASP A 17 -13.139 3.229 6.722 1.00 0.00 N ATOM 223 CA ASP A 17 -12.506 4.235 7.558 1.00 0.00 C ATOM 224 C ASP A 17 -12.401 5.558 6.824 1.00 0.00 C ATOM 225 O ASP A 17 -12.552 5.614 5.606 1.00 0.00 O ATOM 226 CB ASP A 17 -11.114 3.773 7.981 1.00 0.00 C ATOM 227 CG ASP A 17 -11.121 3.079 9.323 1.00 0.00 C ATOM 228 OD1 ASP A 17 -11.100 3.773 10.364 1.00 0.00 O ATOM 229 OD2 ASP A 17 -11.151 1.831 9.345 1.00 0.00 O ATOM 0 H ASP A 17 -12.521 2.815 6.024 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.124 4.374 8.445 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.714 3.095 7.227 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.446 4.633 8.023 1.00 0.00 H new ATOM 234 N ARG A 18 -12.047 6.599 7.558 1.00 0.00 N ATOM 235 CA ARG A 18 -11.830 7.910 6.969 1.00 0.00 C ATOM 236 C ARG A 18 -10.389 8.030 6.487 1.00 0.00 C ATOM 237 O ARG A 18 -10.087 8.781 5.563 1.00 0.00 O ATOM 238 CB ARG A 18 -12.133 9.001 7.999 1.00 0.00 C ATOM 239 CG ARG A 18 -12.259 10.398 7.409 1.00 0.00 C ATOM 240 CD ARG A 18 -11.943 11.466 8.440 1.00 0.00 C ATOM 241 NE ARG A 18 -10.814 12.301 8.034 1.00 0.00 N ATOM 242 CZ ARG A 18 -10.637 13.563 8.420 1.00 0.00 C ATOM 243 NH1 ARG A 18 -11.505 14.147 9.243 1.00 0.00 N ATOM 244 NH2 ARG A 18 -9.586 14.239 7.974 1.00 0.00 N ATOM 0 H ARG A 18 -11.903 6.562 8.567 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.499 8.034 6.117 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.061 8.751 8.514 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -11.343 9.006 8.750 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -11.583 10.498 6.560 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.270 10.544 7.030 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -12.821 12.093 8.593 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -11.719 10.992 9.396 1.00 0.00 H new ATOM 0 HE ARG A 18 -10.116 11.890 7.414 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -12.314 13.627 9.583 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.361 15.114 9.533 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.923 13.791 7.341 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.441 15.206 8.264 1.00 0.00 H new ATOM 258 N PHE A 19 -9.498 7.322 7.158 1.00 0.00 N ATOM 259 CA PHE A 19 -8.079 7.391 6.848 1.00 0.00 C ATOM 260 C PHE A 19 -7.679 6.287 5.878 1.00 0.00 C ATOM 261 O PHE A 19 -7.369 5.166 6.287 1.00 0.00 O ATOM 262 CB PHE A 19 -7.251 7.303 8.135 1.00 0.00 C ATOM 263 CG PHE A 19 -7.216 8.592 8.909 1.00 0.00 C ATOM 264 CD1 PHE A 19 -8.080 9.626 8.594 1.00 0.00 C ATOM 265 CD2 PHE A 19 -6.317 8.772 9.948 1.00 0.00 C ATOM 266 CE1 PHE A 19 -8.055 10.812 9.292 1.00 0.00 C ATOM 267 CE2 PHE A 19 -6.284 9.960 10.654 1.00 0.00 C ATOM 268 CZ PHE A 19 -7.156 10.982 10.326 1.00 0.00 C ATOM 0 H PHE A 19 -9.732 6.690 7.924 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.879 8.349 6.368 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -7.661 6.517 8.770 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -6.232 7.010 7.884 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -8.786 9.500 7.787 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -5.635 7.976 10.209 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.737 11.608 9.031 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.578 10.090 11.461 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.134 11.911 10.877 1.00 0.00 H new ATOM 278 N LEU A 20 -7.689 6.612 4.592 1.00 0.00 N ATOM 279 CA LEU A 20 -7.327 5.657 3.559 1.00 0.00 C ATOM 280 C LEU A 20 -6.121 6.144 2.764 1.00 0.00 C ATOM 281 O LEU A 20 -5.891 7.349 2.623 1.00 0.00 O ATOM 282 CB LEU A 20 -8.514 5.404 2.620 1.00 0.00 C ATOM 283 CG LEU A 20 -8.264 5.709 1.137 1.00 0.00 C ATOM 284 CD1 LEU A 20 -8.779 4.576 0.262 1.00 0.00 C ATOM 285 CD2 LEU A 20 -8.912 7.026 0.748 1.00 0.00 C ATOM 0 H LEU A 20 -7.945 7.535 4.241 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.060 4.720 4.047 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -8.811 4.359 2.712 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.357 6.006 2.959 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.189 5.797 0.981 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.592 4.812 -0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -8.264 3.652 0.523 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.850 4.452 0.421 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.724 7.226 -0.307 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -9.987 6.968 0.921 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.491 7.831 1.350 1.00 0.00 H new ATOM 297 N LEU A 21 -5.384 5.197 2.217 1.00 0.00 N ATOM 298 CA LEU A 21 -4.230 5.481 1.388 1.00 0.00 C ATOM 299 C LEU A 21 -4.249 4.554 0.179 1.00 0.00 C ATOM 300 O LEU A 21 -4.758 3.442 0.261 1.00 0.00 O ATOM 301 CB LEU A 21 -2.950 5.261 2.198 1.00 0.00 C ATOM 302 CG LEU A 21 -1.853 6.306 2.000 1.00 0.00 C ATOM 303 CD1 LEU A 21 -0.946 6.359 3.216 1.00 0.00 C ATOM 304 CD2 LEU A 21 -1.041 6.007 0.750 1.00 0.00 C ATOM 0 H LEU A 21 -5.571 4.201 2.337 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.260 6.517 1.052 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.212 5.232 3.256 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.544 4.282 1.943 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.329 7.279 1.875 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.170 7.108 3.059 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.532 6.623 4.096 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.483 5.384 3.368 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.266 6.764 0.630 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.577 5.025 0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.697 6.017 -0.121 1.00 0.00 H new ATOM 316 N TYR A 22 -3.685 4.996 -0.929 1.00 0.00 N ATOM 317 CA TYR A 22 -3.576 4.154 -2.114 1.00 0.00 C ATOM 318 C TYR A 22 -2.125 3.768 -2.309 1.00 0.00 C ATOM 319 O TYR A 22 -1.266 4.645 -2.421 1.00 0.00 O ATOM 320 CB TYR A 22 -4.027 4.855 -3.402 1.00 0.00 C ATOM 321 CG TYR A 22 -5.389 5.530 -3.401 1.00 0.00 C ATOM 322 CD1 TYR A 22 -5.833 6.317 -2.343 1.00 0.00 C ATOM 323 CD2 TYR A 22 -6.215 5.407 -4.510 1.00 0.00 C ATOM 324 CE1 TYR A 22 -7.059 6.949 -2.389 1.00 0.00 C ATOM 325 CE2 TYR A 22 -7.447 6.033 -4.560 1.00 0.00 C ATOM 326 CZ TYR A 22 -7.862 6.805 -3.501 1.00 0.00 C ATOM 327 OH TYR A 22 -9.084 7.438 -3.550 1.00 0.00 O ATOM 0 H TYR A 22 -3.294 5.932 -1.037 1.00 0.00 H new ATOM 0 HA TYR A 22 -4.225 3.295 -1.943 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.280 5.608 -3.653 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -4.019 4.118 -4.205 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -5.207 6.435 -1.471 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -5.889 4.811 -5.350 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -7.388 7.554 -1.557 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -8.080 5.916 -5.427 1.00 0.00 H new ATOM 0 HH TYR A 22 -9.524 7.235 -4.402 1.00 0.00 H new ATOM 337 N ALA A 23 -1.860 2.483 -2.440 1.00 0.00 N ATOM 338 CA ALA A 23 -0.522 2.030 -2.758 1.00 0.00 C ATOM 339 C ALA A 23 -0.560 0.689 -3.473 1.00 0.00 C ATOM 340 O ALA A 23 -1.373 -0.173 -3.138 1.00 0.00 O ATOM 341 CB ALA A 23 0.343 1.959 -1.506 1.00 0.00 C ATOM 0 H ALA A 23 -2.549 1.739 -2.332 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.071 2.758 -3.433 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.343 1.616 -1.773 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.408 2.948 -1.052 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.102 1.262 -0.796 1.00 0.00 H new ATOM 347 N MET A 24 0.308 0.534 -4.471 1.00 0.00 N ATOM 348 CA MET A 24 0.404 -0.700 -5.256 1.00 0.00 C ATOM 349 C MET A 24 -0.877 -0.957 -6.050 1.00 0.00 C ATOM 350 O MET A 24 -1.236 -2.113 -6.295 1.00 0.00 O ATOM 351 CB MET A 24 0.703 -1.902 -4.346 1.00 0.00 C ATOM 352 CG MET A 24 2.185 -2.181 -4.152 1.00 0.00 C ATOM 353 SD MET A 24 2.492 -3.426 -2.882 1.00 0.00 S ATOM 354 CE MET A 24 2.464 -4.922 -3.868 1.00 0.00 C ATOM 0 H MET A 24 0.965 1.259 -4.760 1.00 0.00 H new ATOM 0 HA MET A 24 1.226 -0.575 -5.961 1.00 0.00 H new ATOM 0 HB2 MET A 24 0.246 -1.729 -3.372 1.00 0.00 H new ATOM 0 HB3 MET A 24 0.229 -2.789 -4.767 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.615 -2.515 -5.096 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.693 -1.256 -3.880 1.00 0.00 H new ATOM 0 HE1 MET A 24 2.639 -5.785 -3.225 1.00 0.00 H new ATOM 0 HE2 MET A 24 1.492 -5.021 -4.351 1.00 0.00 H new ATOM 0 HE3 MET A 24 3.244 -4.871 -4.628 1.00 0.00 H new ATOM 364 N ASP A 25 -1.614 0.118 -6.354 1.00 0.00 N ATOM 365 CA ASP A 25 -2.905 0.024 -7.050 1.00 0.00 C ATOM 366 C ASP A 25 -3.955 -0.610 -6.157 1.00 0.00 C ATOM 367 O ASP A 25 -5.069 -0.892 -6.590 1.00 0.00 O ATOM 368 CB ASP A 25 -2.795 -0.757 -8.366 1.00 0.00 C ATOM 369 CG ASP A 25 -2.758 0.143 -9.582 1.00 0.00 C ATOM 370 OD1 ASP A 25 -3.551 1.111 -9.642 1.00 0.00 O ATOM 371 OD2 ASP A 25 -1.948 -0.119 -10.497 1.00 0.00 O ATOM 0 H ASP A 25 -1.335 1.073 -6.127 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.210 1.042 -7.291 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.893 -1.369 -8.345 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.641 -1.439 -8.450 1.00 0.00 H new ATOM 376 N SER A 26 -3.624 -0.728 -4.886 1.00 0.00 N ATOM 377 CA SER A 26 -4.552 -1.195 -3.879 1.00 0.00 C ATOM 378 C SER A 26 -4.765 -0.081 -2.872 1.00 0.00 C ATOM 379 O SER A 26 -4.182 0.998 -3.003 1.00 0.00 O ATOM 380 CB SER A 26 -3.995 -2.446 -3.191 1.00 0.00 C ATOM 381 OG SER A 26 -2.919 -2.991 -3.941 1.00 0.00 O ATOM 0 H SER A 26 -2.698 -0.501 -4.523 1.00 0.00 H new ATOM 0 HA SER A 26 -5.504 -1.460 -4.338 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.655 -2.194 -2.187 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.784 -3.190 -3.083 1.00 0.00 H new ATOM 0 HG SER A 26 -2.574 -3.788 -3.487 1.00 0.00 H new ATOM 387 N TYR A 27 -5.533 -0.349 -1.844 1.00 0.00 N ATOM 388 CA TYR A 27 -5.719 0.616 -0.788 1.00 0.00 C ATOM 389 C TYR A 27 -5.042 0.123 0.472 1.00 0.00 C ATOM 390 O TYR A 27 -4.717 -1.058 0.590 1.00 0.00 O ATOM 391 CB TYR A 27 -7.201 0.854 -0.517 1.00 0.00 C ATOM 392 CG TYR A 27 -7.933 1.591 -1.610 1.00 0.00 C ATOM 393 CD1 TYR A 27 -7.267 2.409 -2.523 1.00 0.00 C ATOM 394 CD2 TYR A 27 -9.313 1.472 -1.721 1.00 0.00 C ATOM 395 CE1 TYR A 27 -7.969 3.074 -3.505 1.00 0.00 C ATOM 396 CE2 TYR A 27 -10.014 2.137 -2.705 1.00 0.00 C ATOM 397 CZ TYR A 27 -9.338 2.939 -3.593 1.00 0.00 C ATOM 398 OH TYR A 27 -10.025 3.601 -4.585 1.00 0.00 O ATOM 0 H TYR A 27 -6.038 -1.226 -1.716 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.274 1.560 -1.102 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.686 -0.109 -0.359 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.300 1.417 0.411 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.195 2.522 -2.460 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.848 0.846 -1.022 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.444 3.703 -4.208 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.086 2.028 -2.777 1.00 0.00 H new ATOM 0 HH TYR A 27 -9.526 4.402 -4.850 1.00 0.00 H new ATOM 408 N TRP A 28 -4.787 1.038 1.378 1.00 0.00 N ATOM 409 CA TRP A 28 -4.138 0.727 2.634 1.00 0.00 C ATOM 410 C TRP A 28 -4.671 1.659 3.709 1.00 0.00 C ATOM 411 O TRP A 28 -5.196 2.727 3.400 1.00 0.00 O ATOM 412 CB TRP A 28 -2.615 0.906 2.529 1.00 0.00 C ATOM 413 CG TRP A 28 -1.937 -0.025 1.562 1.00 0.00 C ATOM 414 CD1 TRP A 28 -1.881 0.105 0.204 1.00 0.00 C ATOM 415 CD2 TRP A 28 -1.204 -1.214 1.880 1.00 0.00 C ATOM 416 NE1 TRP A 28 -1.171 -0.934 -0.342 1.00 0.00 N ATOM 417 CE2 TRP A 28 -0.741 -1.756 0.665 1.00 0.00 C ATOM 418 CE3 TRP A 28 -0.895 -1.875 3.070 1.00 0.00 C ATOM 419 CZ2 TRP A 28 0.015 -2.924 0.611 1.00 0.00 C ATOM 420 CZ3 TRP A 28 -0.144 -3.034 3.014 1.00 0.00 C ATOM 421 CH2 TRP A 28 0.303 -3.548 1.792 1.00 0.00 C ATOM 0 H TRP A 28 -5.024 2.024 1.266 1.00 0.00 H new ATOM 0 HA TRP A 28 -4.349 -0.312 2.885 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.403 1.933 2.232 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.177 0.763 3.517 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -2.331 0.910 -0.359 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.992 -1.072 -1.337 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -1.237 -1.487 4.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 0.362 -3.323 -0.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.102 -3.552 3.929 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.887 -4.456 1.782 1.00 0.00 H new ATOM 432 N HIS A 29 -4.374 1.342 4.952 1.00 0.00 N ATOM 433 CA HIS A 29 -4.627 2.264 6.040 1.00 0.00 C ATOM 434 C HIS A 29 -3.314 2.948 6.387 1.00 0.00 C ATOM 435 O HIS A 29 -2.255 2.513 5.924 1.00 0.00 O ATOM 436 CB HIS A 29 -5.186 1.532 7.264 1.00 0.00 C ATOM 437 CG HIS A 29 -6.666 1.297 7.219 1.00 0.00 C ATOM 438 ND1 HIS A 29 -7.191 0.057 6.966 1.00 0.00 N ATOM 439 CD2 HIS A 29 -7.687 2.164 7.431 1.00 0.00 C ATOM 440 CE1 HIS A 29 -8.502 0.181 7.031 1.00 0.00 C ATOM 441 NE2 HIS A 29 -8.857 1.448 7.312 1.00 0.00 N ATOM 0 H HIS A 29 -3.958 0.455 5.234 1.00 0.00 H new ATOM 0 HA HIS A 29 -5.372 2.999 5.735 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -4.680 0.571 7.361 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -4.948 2.109 8.158 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -6.669 -0.796 6.766 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -7.599 3.218 7.652 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -9.200 -0.629 6.879 1.00 0.00 H new ATOM 449 N SER A 30 -3.375 4.023 7.160 1.00 0.00 N ATOM 450 CA SER A 30 -2.179 4.782 7.503 1.00 0.00 C ATOM 451 C SER A 30 -1.121 3.896 8.163 1.00 0.00 C ATOM 452 O SER A 30 0.065 3.974 7.825 1.00 0.00 O ATOM 453 CB SER A 30 -2.548 5.941 8.423 1.00 0.00 C ATOM 454 OG SER A 30 -3.950 6.167 8.415 1.00 0.00 O ATOM 0 H SER A 30 -4.238 4.389 7.561 1.00 0.00 H new ATOM 0 HA SER A 30 -1.751 5.174 6.581 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.216 5.725 9.438 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.028 6.844 8.103 1.00 0.00 H new ATOM 0 HG SER A 30 -4.129 7.102 8.183 1.00 0.00 H new ATOM 460 N ARG A 31 -1.555 3.045 9.086 1.00 0.00 N ATOM 461 CA ARG A 31 -0.647 2.152 9.791 1.00 0.00 C ATOM 462 C ARG A 31 -0.688 0.738 9.209 1.00 0.00 C ATOM 463 O ARG A 31 0.089 -0.129 9.614 1.00 0.00 O ATOM 464 CB ARG A 31 -0.985 2.118 11.281 1.00 0.00 C ATOM 465 CG ARG A 31 -0.223 3.152 12.094 1.00 0.00 C ATOM 466 CD ARG A 31 -0.336 2.885 13.585 1.00 0.00 C ATOM 467 NE ARG A 31 0.540 1.798 14.017 1.00 0.00 N ATOM 468 CZ ARG A 31 0.598 1.342 15.268 1.00 0.00 C ATOM 469 NH1 ARG A 31 -0.127 1.909 16.226 1.00 0.00 N ATOM 470 NH2 ARG A 31 1.395 0.326 15.567 1.00 0.00 N ATOM 0 H ARG A 31 -2.533 2.956 9.363 1.00 0.00 H new ATOM 0 HA ARG A 31 0.364 2.538 9.663 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.055 2.283 11.408 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.767 1.125 11.673 1.00 0.00 H new ATOM 0 HG2 ARG A 31 0.827 3.144 11.801 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.609 4.147 11.872 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.086 3.792 14.135 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.369 2.637 13.831 1.00 0.00 H new ATOM 0 HE ARG A 31 1.143 1.362 13.319 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.734 2.699 16.007 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.077 1.554 17.181 1.00 0.00 H new ATOM 0 HH21 ARG A 31 1.964 -0.107 14.840 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.439 -0.023 16.524 1.00 0.00 H new ATOM 484 N CYS A 32 -1.539 0.529 8.206 1.00 0.00 N ATOM 485 CA CYS A 32 -1.585 -0.748 7.504 1.00 0.00 C ATOM 486 C CYS A 32 -0.462 -0.806 6.475 1.00 0.00 C ATOM 487 O CYS A 32 0.256 -1.803 6.377 1.00 0.00 O ATOM 488 CB CYS A 32 -2.934 -0.944 6.809 1.00 0.00 C ATOM 489 SG CYS A 32 -4.258 -1.625 7.867 1.00 0.00 S ATOM 0 H CYS A 32 -2.202 1.225 7.864 1.00 0.00 H new ATOM 0 HA CYS A 32 -1.457 -1.548 8.234 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -3.264 0.016 6.413 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -2.793 -1.609 5.957 1.00 0.00 H new ATOM 0 HG CYS A 32 -5.188 -2.142 7.120 1.00 0.00 H new ATOM 494 N LEU A 33 -0.296 0.298 5.744 1.00 0.00 N ATOM 495 CA LEU A 33 0.771 0.426 4.759 1.00 0.00 C ATOM 496 C LEU A 33 2.119 0.287 5.448 1.00 0.00 C ATOM 497 O LEU A 33 2.716 -0.791 5.429 1.00 0.00 O ATOM 498 CB LEU A 33 0.664 1.780 4.041 1.00 0.00 C ATOM 499 CG LEU A 33 1.690 2.028 2.931 1.00 0.00 C ATOM 500 CD1 LEU A 33 1.747 0.855 1.966 1.00 0.00 C ATOM 501 CD2 LEU A 33 1.355 3.306 2.182 1.00 0.00 C ATOM 0 H LEU A 33 -0.894 1.121 5.820 1.00 0.00 H new ATOM 0 HA LEU A 33 0.675 -0.364 4.014 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.335 1.865 3.613 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.761 2.572 4.783 1.00 0.00 H new ATOM 0 HG LEU A 33 2.671 2.134 3.395 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.484 1.059 1.189 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.031 -0.048 2.507 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.768 0.712 1.509 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.092 3.471 1.396 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.364 3.218 1.738 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.369 4.148 2.874 1.00 0.00 H new ATOM 513 N LYS A 34 2.491 1.328 6.194 1.00 0.00 N ATOM 514 CA LYS A 34 3.662 1.306 7.074 1.00 0.00 C ATOM 515 C LYS A 34 4.959 0.955 6.356 1.00 0.00 C ATOM 516 O LYS A 34 4.992 0.614 5.171 1.00 0.00 O ATOM 517 CB LYS A 34 3.404 0.371 8.275 1.00 0.00 C ATOM 518 CG LYS A 34 4.145 -0.960 8.228 1.00 0.00 C ATOM 519 CD LYS A 34 3.195 -2.135 8.387 1.00 0.00 C ATOM 520 CE LYS A 34 3.599 -3.297 7.497 1.00 0.00 C ATOM 521 NZ LYS A 34 2.749 -3.383 6.281 1.00 0.00 N ATOM 0 H LYS A 34 1.987 2.215 6.205 1.00 0.00 H new ATOM 0 HA LYS A 34 3.805 2.323 7.438 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.685 0.894 9.189 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.334 0.172 8.337 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.677 -1.047 7.281 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.895 -0.988 9.019 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.184 -2.458 9.428 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.181 -1.821 8.140 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.643 -3.184 7.204 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.525 -4.228 8.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.988 -4.245 5.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.747 -3.414 6.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.916 -2.550 5.681 1.00 0.00 H new ATOM 535 N CYS A 35 6.030 1.204 7.070 1.00 0.00 N ATOM 536 CA CYS A 35 7.370 1.042 6.577 1.00 0.00 C ATOM 537 C CYS A 35 7.773 -0.429 6.507 1.00 0.00 C ATOM 538 O CYS A 35 7.004 -1.318 6.880 1.00 0.00 O ATOM 539 CB CYS A 35 8.278 1.748 7.558 1.00 0.00 C ATOM 540 SG CYS A 35 8.624 3.488 7.197 1.00 0.00 S ATOM 0 H CYS A 35 5.989 1.533 8.035 1.00 0.00 H new ATOM 0 HA CYS A 35 7.442 1.451 5.569 1.00 0.00 H new ATOM 0 HB2 CYS A 35 7.830 1.684 8.550 1.00 0.00 H new ATOM 0 HB3 CYS A 35 9.225 1.210 7.600 1.00 0.00 H new ATOM 0 HG CYS A 35 9.840 3.773 7.558 1.00 0.00 H new ATOM 545 N SER A 36 9.043 -0.663 6.216 1.00 0.00 N ATOM 546 CA SER A 36 9.595 -1.996 6.310 1.00 0.00 C ATOM 547 C SER A 36 10.355 -2.150 7.624 1.00 0.00 C ATOM 548 O SER A 36 10.083 -3.059 8.409 1.00 0.00 O ATOM 549 CB SER A 36 10.514 -2.278 5.124 1.00 0.00 C ATOM 550 OG SER A 36 9.762 -2.620 3.972 1.00 0.00 O ATOM 0 H SER A 36 9.705 0.052 5.914 1.00 0.00 H new ATOM 0 HA SER A 36 8.779 -2.719 6.288 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.126 -1.400 4.916 1.00 0.00 H new ATOM 0 HB3 SER A 36 11.196 -3.091 5.373 1.00 0.00 H new ATOM 0 HG SER A 36 8.993 -2.018 3.893 1.00 0.00 H new ATOM 556 N SER A 37 11.309 -1.260 7.861 1.00 0.00 N ATOM 557 CA SER A 37 12.136 -1.339 9.055 1.00 0.00 C ATOM 558 C SER A 37 11.695 -0.337 10.126 1.00 0.00 C ATOM 559 O SER A 37 11.609 -0.682 11.305 1.00 0.00 O ATOM 560 CB SER A 37 13.600 -1.108 8.678 1.00 0.00 C ATOM 561 OG SER A 37 13.891 -1.674 7.409 1.00 0.00 O ATOM 0 H SER A 37 11.528 -0.478 7.244 1.00 0.00 H new ATOM 0 HA SER A 37 12.019 -2.335 9.482 1.00 0.00 H new ATOM 0 HB2 SER A 37 13.811 -0.039 8.661 1.00 0.00 H new ATOM 0 HB3 SER A 37 14.249 -1.549 9.435 1.00 0.00 H new ATOM 0 HG SER A 37 13.554 -1.084 6.703 1.00 0.00 H new ATOM 567 N CYS A 38 11.515 0.922 9.737 1.00 0.00 N ATOM 568 CA CYS A 38 11.188 1.978 10.693 1.00 0.00 C ATOM 569 C CYS A 38 9.792 1.800 11.294 1.00 0.00 C ATOM 570 O CYS A 38 9.551 2.175 12.445 1.00 0.00 O ATOM 571 CB CYS A 38 11.286 3.338 10.010 1.00 0.00 C ATOM 572 SG CYS A 38 12.291 3.334 8.489 1.00 0.00 S ATOM 0 H CYS A 38 11.590 1.236 8.770 1.00 0.00 H new ATOM 0 HA CYS A 38 11.907 1.917 11.510 1.00 0.00 H new ATOM 0 HB2 CYS A 38 10.281 3.685 9.768 1.00 0.00 H new ATOM 0 HB3 CYS A 38 11.711 4.056 10.712 1.00 0.00 H new ATOM 0 HG CYS A 38 11.603 2.815 7.516 1.00 0.00 H new ATOM 577 N GLN A 39 8.865 1.315 10.476 1.00 0.00 N ATOM 578 CA GLN A 39 7.461 1.182 10.865 1.00 0.00 C ATOM 579 C GLN A 39 6.866 2.546 11.195 1.00 0.00 C ATOM 580 O GLN A 39 6.194 2.714 12.213 1.00 0.00 O ATOM 581 CB GLN A 39 7.304 0.235 12.056 1.00 0.00 C ATOM 582 CG GLN A 39 7.086 -1.211 11.654 1.00 0.00 C ATOM 583 CD GLN A 39 5.625 -1.616 11.682 1.00 0.00 C ATOM 584 OE1 GLN A 39 4.741 -0.799 11.952 1.00 0.00 O ATOM 585 NE2 GLN A 39 5.360 -2.881 11.400 1.00 0.00 N ATOM 0 H GLN A 39 9.062 1.003 9.525 1.00 0.00 H new ATOM 0 HA GLN A 39 6.920 0.757 10.020 1.00 0.00 H new ATOM 0 HB2 GLN A 39 8.194 0.300 12.681 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.462 0.566 12.665 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.482 -1.368 10.651 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.651 -1.859 12.325 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.120 -3.525 11.182 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.395 -3.212 11.401 1.00 0.00 H new ATOM 594 N ALA A 40 7.128 3.522 10.338 1.00 0.00 N ATOM 595 CA ALA A 40 6.629 4.860 10.540 1.00 0.00 C ATOM 596 C ALA A 40 5.397 5.105 9.682 1.00 0.00 C ATOM 597 O ALA A 40 4.765 4.162 9.197 1.00 0.00 O ATOM 598 CB ALA A 40 7.717 5.870 10.222 1.00 0.00 C ATOM 0 H ALA A 40 7.687 3.404 9.493 1.00 0.00 H new ATOM 0 HA ALA A 40 6.340 4.976 11.585 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.334 6.879 10.377 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.572 5.702 10.877 1.00 0.00 H new ATOM 0 HB3 ALA A 40 8.028 5.755 9.184 1.00 0.00 H new ATOM 604 N GLN A 41 5.076 6.368 9.479 1.00 0.00 N ATOM 605 CA GLN A 41 3.938 6.754 8.659 1.00 0.00 C ATOM 606 C GLN A 41 4.407 7.186 7.278 1.00 0.00 C ATOM 607 O GLN A 41 4.896 8.303 7.100 1.00 0.00 O ATOM 608 CB GLN A 41 3.152 7.882 9.329 1.00 0.00 C ATOM 609 CG GLN A 41 1.652 7.789 9.107 1.00 0.00 C ATOM 610 CD GLN A 41 0.971 6.863 10.096 1.00 0.00 C ATOM 611 OE1 GLN A 41 1.364 5.707 10.258 1.00 0.00 O ATOM 612 NE2 GLN A 41 -0.059 7.361 10.755 1.00 0.00 N ATOM 0 H GLN A 41 5.592 7.154 9.874 1.00 0.00 H new ATOM 0 HA GLN A 41 3.280 5.891 8.552 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.354 7.869 10.400 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.509 8.839 8.949 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.215 8.784 9.187 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.460 7.436 8.094 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.352 8.324 10.591 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.562 6.783 11.428 1.00 0.00 H new ATOM 621 N LEU A 42 4.289 6.280 6.315 1.00 0.00 N ATOM 622 CA LEU A 42 4.735 6.533 4.947 1.00 0.00 C ATOM 623 C LEU A 42 4.102 7.798 4.372 1.00 0.00 C ATOM 624 O LEU A 42 4.735 8.534 3.621 1.00 0.00 O ATOM 625 CB LEU A 42 4.398 5.335 4.055 1.00 0.00 C ATOM 626 CG LEU A 42 5.585 4.732 3.303 1.00 0.00 C ATOM 627 CD1 LEU A 42 6.511 4.005 4.265 1.00 0.00 C ATOM 628 CD2 LEU A 42 5.103 3.788 2.212 1.00 0.00 C ATOM 0 H LEU A 42 3.884 5.354 6.457 1.00 0.00 H new ATOM 0 HA LEU A 42 5.815 6.679 4.973 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.946 4.558 4.672 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.646 5.643 3.328 1.00 0.00 H new ATOM 0 HG LEU A 42 6.142 5.543 2.834 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.350 3.582 3.713 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.884 4.707 5.011 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.963 3.204 4.762 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.962 3.369 1.688 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.522 2.982 2.659 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.479 4.336 1.506 1.00 0.00 H new ATOM 640 N GLY A 43 2.849 8.048 4.730 1.00 0.00 N ATOM 641 CA GLY A 43 2.146 9.208 4.214 1.00 0.00 C ATOM 642 C GLY A 43 2.448 10.489 4.973 1.00 0.00 C ATOM 643 O GLY A 43 1.901 11.545 4.656 1.00 0.00 O ATOM 0 H GLY A 43 2.306 7.468 5.369 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.410 9.346 3.165 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.073 9.018 4.250 1.00 0.00 H new ATOM 647 N ASP A 44 3.311 10.411 5.978 1.00 0.00 N ATOM 648 CA ASP A 44 3.653 11.592 6.768 1.00 0.00 C ATOM 649 C ASP A 44 5.062 12.085 6.452 1.00 0.00 C ATOM 650 O ASP A 44 5.400 13.242 6.708 1.00 0.00 O ATOM 651 CB ASP A 44 3.532 11.300 8.263 1.00 0.00 C ATOM 652 CG ASP A 44 3.595 12.561 9.103 1.00 0.00 C ATOM 653 OD1 ASP A 44 2.789 13.485 8.860 1.00 0.00 O ATOM 654 OD2 ASP A 44 4.448 12.633 10.016 1.00 0.00 O ATOM 0 H ASP A 44 3.783 9.554 6.265 1.00 0.00 H new ATOM 0 HA ASP A 44 2.945 12.376 6.500 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.591 10.785 8.455 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.333 10.625 8.565 1.00 0.00 H new ATOM 659 N ILE A 45 5.878 11.214 5.874 1.00 0.00 N ATOM 660 CA ILE A 45 7.246 11.575 5.511 1.00 0.00 C ATOM 661 C ILE A 45 7.282 12.258 4.149 1.00 0.00 C ATOM 662 O ILE A 45 8.349 12.590 3.630 1.00 0.00 O ATOM 663 CB ILE A 45 8.171 10.339 5.484 1.00 0.00 C ATOM 664 CG1 ILE A 45 7.844 9.444 4.282 1.00 0.00 C ATOM 665 CG2 ILE A 45 8.045 9.561 6.785 1.00 0.00 C ATOM 666 CD1 ILE A 45 9.070 8.953 3.542 1.00 0.00 C ATOM 0 H ILE A 45 5.619 10.254 5.646 1.00 0.00 H new ATOM 0 HA ILE A 45 7.607 12.265 6.274 1.00 0.00 H new ATOM 0 HB ILE A 45 9.202 10.678 5.381 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.268 8.584 4.625 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.209 9.997 3.590 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.702 8.692 6.754 1.00 0.00 H new ATOM 0 HG22 ILE A 45 8.329 10.201 7.621 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.014 9.232 6.914 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.763 8.326 2.705 1.00 0.00 H new ATOM 0 HD12 ILE A 45 9.635 9.807 3.168 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.696 8.372 4.220 1.00 0.00 H new ATOM 677 N GLY A 46 6.113 12.386 3.545 1.00 0.00 N ATOM 678 CA GLY A 46 6.016 12.916 2.206 1.00 0.00 C ATOM 679 C GLY A 46 5.352 11.914 1.297 1.00 0.00 C ATOM 680 O GLY A 46 5.010 10.819 1.740 1.00 0.00 O ATOM 0 H GLY A 46 5.220 12.128 3.965 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.445 13.844 2.215 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.010 13.157 1.829 1.00 0.00 H new ATOM 684 N THR A 47 5.162 12.253 0.037 1.00 0.00 N ATOM 685 CA THR A 47 4.544 11.310 -0.871 1.00 0.00 C ATOM 686 C THR A 47 5.612 10.516 -1.616 1.00 0.00 C ATOM 687 O THR A 47 6.106 10.947 -2.657 1.00 0.00 O ATOM 688 CB THR A 47 3.655 12.053 -1.883 1.00 0.00 C ATOM 689 OG1 THR A 47 3.758 13.471 -1.666 1.00 0.00 O ATOM 690 CG2 THR A 47 2.201 11.624 -1.751 1.00 0.00 C ATOM 0 H THR A 47 5.419 13.151 -0.373 1.00 0.00 H new ATOM 0 HA THR A 47 3.929 10.623 -0.290 1.00 0.00 H new ATOM 0 HB THR A 47 3.998 11.805 -2.887 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.192 13.943 -2.313 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.595 12.165 -2.478 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.120 10.553 -1.935 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.846 11.847 -0.745 1.00 0.00 H new ATOM 698 N SER A 48 5.872 9.306 -1.138 1.00 0.00 N ATOM 699 CA SER A 48 6.817 8.401 -1.776 1.00 0.00 C ATOM 700 C SER A 48 6.605 6.980 -1.268 1.00 0.00 C ATOM 701 O SER A 48 6.243 6.778 -0.112 1.00 0.00 O ATOM 702 CB SER A 48 8.262 8.847 -1.510 1.00 0.00 C ATOM 703 OG SER A 48 8.739 9.697 -2.542 1.00 0.00 O ATOM 0 H SER A 48 5.434 8.926 -0.299 1.00 0.00 H new ATOM 0 HA SER A 48 6.643 8.424 -2.852 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.314 9.368 -0.554 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.906 7.971 -1.431 1.00 0.00 H new ATOM 0 HG SER A 48 8.405 9.380 -3.407 1.00 0.00 H new ATOM 709 N SER A 49 6.856 6.001 -2.121 1.00 0.00 N ATOM 710 CA SER A 49 6.711 4.605 -1.743 1.00 0.00 C ATOM 711 C SER A 49 7.546 3.722 -2.653 1.00 0.00 C ATOM 712 O SER A 49 7.509 3.870 -3.873 1.00 0.00 O ATOM 713 CB SER A 49 5.242 4.190 -1.823 1.00 0.00 C ATOM 714 OG SER A 49 4.510 5.092 -2.635 1.00 0.00 O ATOM 0 H SER A 49 7.162 6.148 -3.083 1.00 0.00 H new ATOM 0 HA SER A 49 7.061 4.484 -0.718 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.165 3.182 -2.230 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.812 4.163 -0.822 1.00 0.00 H new ATOM 0 HG SER A 49 3.597 4.758 -2.754 1.00 0.00 H new ATOM 720 N TYR A 50 8.323 2.836 -2.064 1.00 0.00 N ATOM 721 CA TYR A 50 9.167 1.943 -2.833 1.00 0.00 C ATOM 722 C TYR A 50 8.722 0.501 -2.646 1.00 0.00 C ATOM 723 O TYR A 50 8.535 0.037 -1.522 1.00 0.00 O ATOM 724 CB TYR A 50 10.627 2.113 -2.431 1.00 0.00 C ATOM 725 CG TYR A 50 11.272 3.350 -3.013 1.00 0.00 C ATOM 726 CD1 TYR A 50 11.531 3.446 -4.375 1.00 0.00 C ATOM 727 CD2 TYR A 50 11.628 4.416 -2.200 1.00 0.00 C ATOM 728 CE1 TYR A 50 12.129 4.574 -4.910 1.00 0.00 C ATOM 729 CE2 TYR A 50 12.223 5.547 -2.725 1.00 0.00 C ATOM 730 CZ TYR A 50 12.474 5.622 -4.080 1.00 0.00 C ATOM 731 OH TYR A 50 13.078 6.747 -4.601 1.00 0.00 O ATOM 0 H TYR A 50 8.388 2.715 -1.053 1.00 0.00 H new ATOM 0 HA TYR A 50 9.071 2.197 -3.889 1.00 0.00 H new ATOM 0 HB2 TYR A 50 10.694 2.155 -1.344 1.00 0.00 H new ATOM 0 HB3 TYR A 50 11.188 1.235 -2.751 1.00 0.00 H new ATOM 0 HD1 TYR A 50 11.261 2.628 -5.026 1.00 0.00 H new ATOM 0 HD2 TYR A 50 11.437 4.361 -1.138 1.00 0.00 H new ATOM 0 HE1 TYR A 50 12.325 4.634 -5.970 1.00 0.00 H new ATOM 0 HE2 TYR A 50 12.491 6.369 -2.078 1.00 0.00 H new ATOM 0 HH TYR A 50 12.606 7.547 -4.288 1.00 0.00 H new ATOM 741 N THR A 51 8.500 -0.176 -3.754 1.00 0.00 N ATOM 742 CA THR A 51 8.040 -1.548 -3.743 1.00 0.00 C ATOM 743 C THR A 51 9.074 -2.467 -4.376 1.00 0.00 C ATOM 744 O THR A 51 9.287 -2.440 -5.592 1.00 0.00 O ATOM 745 CB THR A 51 6.712 -1.687 -4.502 1.00 0.00 C ATOM 746 OG1 THR A 51 5.896 -0.535 -4.259 1.00 0.00 O ATOM 747 CG2 THR A 51 5.970 -2.945 -4.078 1.00 0.00 C ATOM 0 H THR A 51 8.634 0.211 -4.688 1.00 0.00 H new ATOM 0 HA THR A 51 7.889 -1.835 -2.702 1.00 0.00 H new ATOM 0 HB THR A 51 6.930 -1.763 -5.567 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.050 -0.625 -4.745 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.033 -3.019 -4.631 1.00 0.00 H new ATOM 0 HG22 THR A 51 6.586 -3.819 -4.289 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.758 -2.900 -3.010 1.00 0.00 H new ATOM 755 N LYS A 52 9.711 -3.276 -3.549 1.00 0.00 N ATOM 756 CA LYS A 52 10.698 -4.234 -4.012 1.00 0.00 C ATOM 757 C LYS A 52 10.722 -5.419 -3.066 1.00 0.00 C ATOM 758 O LYS A 52 10.428 -5.262 -1.882 1.00 0.00 O ATOM 759 CB LYS A 52 12.082 -3.587 -4.098 1.00 0.00 C ATOM 760 CG LYS A 52 12.583 -3.414 -5.522 1.00 0.00 C ATOM 761 CD LYS A 52 13.125 -2.013 -5.759 1.00 0.00 C ATOM 762 CE LYS A 52 13.682 -1.860 -7.166 1.00 0.00 C ATOM 763 NZ LYS A 52 13.568 -0.462 -7.666 1.00 0.00 N ATOM 0 H LYS A 52 9.559 -3.288 -2.540 1.00 0.00 H new ATOM 0 HA LYS A 52 10.427 -4.574 -5.012 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.049 -2.612 -3.612 1.00 0.00 H new ATOM 0 HB3 LYS A 52 12.794 -4.197 -3.542 1.00 0.00 H new ATOM 0 HG2 LYS A 52 13.365 -4.146 -5.725 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.771 -3.613 -6.221 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.331 -1.283 -5.600 1.00 0.00 H new ATOM 0 HD3 LYS A 52 13.907 -1.797 -5.032 1.00 0.00 H new ATOM 0 HE2 LYS A 52 14.729 -2.164 -7.176 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.150 -2.530 -7.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.881 -0.421 -8.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.578 -0.150 -7.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.166 0.163 -7.088 1.00 0.00 H new ATOM 777 N SER A 53 10.937 -6.612 -3.616 1.00 0.00 N ATOM 778 CA SER A 53 10.895 -7.851 -2.838 1.00 0.00 C ATOM 779 C SER A 53 9.485 -8.116 -2.309 1.00 0.00 C ATOM 780 O SER A 53 9.306 -8.819 -1.312 1.00 0.00 O ATOM 781 CB SER A 53 11.882 -7.783 -1.667 1.00 0.00 C ATOM 782 OG SER A 53 13.156 -7.321 -2.093 1.00 0.00 O ATOM 0 H SER A 53 11.144 -6.748 -4.605 1.00 0.00 H new ATOM 0 HA SER A 53 11.180 -8.670 -3.498 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.491 -7.119 -0.897 1.00 0.00 H new ATOM 0 HB3 SER A 53 11.983 -8.770 -1.216 1.00 0.00 H new ATOM 0 HG SER A 53 13.765 -7.286 -1.326 1.00 0.00 H new ATOM 788 N GLY A 54 8.492 -7.484 -2.930 1.00 0.00 N ATOM 789 CA GLY A 54 7.130 -7.588 -2.446 1.00 0.00 C ATOM 790 C GLY A 54 6.932 -6.806 -1.163 1.00 0.00 C ATOM 791 O GLY A 54 5.948 -7.003 -0.449 1.00 0.00 O ATOM 0 H GLY A 54 8.609 -6.902 -3.760 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.444 -7.218 -3.208 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.883 -8.636 -2.276 1.00 0.00 H new ATOM 795 N MET A 55 7.893 -5.947 -0.856 1.00 0.00 N ATOM 796 CA MET A 55 7.858 -5.153 0.361 1.00 0.00 C ATOM 797 C MET A 55 7.474 -3.716 0.053 1.00 0.00 C ATOM 798 O MET A 55 7.597 -3.259 -1.084 1.00 0.00 O ATOM 799 CB MET A 55 9.224 -5.164 1.049 1.00 0.00 C ATOM 800 CG MET A 55 9.493 -6.398 1.891 1.00 0.00 C ATOM 801 SD MET A 55 10.971 -6.225 2.909 1.00 0.00 S ATOM 802 CE MET A 55 12.220 -5.967 1.647 1.00 0.00 C ATOM 0 H MET A 55 8.713 -5.782 -1.440 1.00 0.00 H new ATOM 0 HA MET A 55 7.113 -5.593 1.023 1.00 0.00 H new ATOM 0 HB2 MET A 55 10.001 -5.082 0.289 1.00 0.00 H new ATOM 0 HB3 MET A 55 9.305 -4.282 1.684 1.00 0.00 H new ATOM 0 HG2 MET A 55 8.633 -6.591 2.533 1.00 0.00 H new ATOM 0 HG3 MET A 55 9.604 -7.263 1.238 1.00 0.00 H new ATOM 0 HE1 MET A 55 13.188 -5.807 2.121 1.00 0.00 H new ATOM 0 HE2 MET A 55 12.272 -6.844 1.002 1.00 0.00 H new ATOM 0 HE3 MET A 55 11.959 -5.093 1.050 1.00 0.00 H new ATOM 812 N ILE A 56 7.117 -2.988 1.094 1.00 0.00 N ATOM 813 CA ILE A 56 6.808 -1.569 0.980 1.00 0.00 C ATOM 814 C ILE A 56 7.762 -0.766 1.848 1.00 0.00 C ATOM 815 O ILE A 56 7.859 -0.994 3.055 1.00 0.00 O ATOM 816 CB ILE A 56 5.353 -1.259 1.396 1.00 0.00 C ATOM 817 CG1 ILE A 56 4.370 -1.949 0.449 1.00 0.00 C ATOM 818 CG2 ILE A 56 5.108 0.243 1.416 1.00 0.00 C ATOM 819 CD1 ILE A 56 3.662 -3.130 1.074 1.00 0.00 C ATOM 0 H ILE A 56 7.032 -3.359 2.041 1.00 0.00 H new ATOM 0 HA ILE A 56 6.924 -1.290 -0.067 1.00 0.00 H new ATOM 0 HB ILE A 56 5.194 -1.644 2.403 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.627 -1.224 0.117 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.907 -2.285 -0.438 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.077 0.440 1.711 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.786 0.713 2.129 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.285 0.654 0.422 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.980 -3.572 0.347 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.397 -3.874 1.381 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.098 -2.797 1.945 1.00 0.00 H new ATOM 830 N LEU A 57 8.554 0.077 1.214 1.00 0.00 N ATOM 831 CA LEU A 57 9.589 0.813 1.911 1.00 0.00 C ATOM 832 C LEU A 57 9.451 2.311 1.690 1.00 0.00 C ATOM 833 O LEU A 57 9.086 2.760 0.601 1.00 0.00 O ATOM 834 CB LEU A 57 10.971 0.358 1.431 1.00 0.00 C ATOM 835 CG LEU A 57 11.216 -1.150 1.471 1.00 0.00 C ATOM 836 CD1 LEU A 57 11.313 -1.713 0.064 1.00 0.00 C ATOM 837 CD2 LEU A 57 12.478 -1.455 2.257 1.00 0.00 C ATOM 0 H LEU A 57 8.499 0.269 0.214 1.00 0.00 H new ATOM 0 HA LEU A 57 9.479 0.609 2.976 1.00 0.00 H new ATOM 0 HB2 LEU A 57 11.114 0.705 0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.729 0.848 2.042 1.00 0.00 H new ATOM 0 HG LEU A 57 10.372 -1.626 1.970 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.488 -2.788 0.113 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.382 -1.521 -0.470 1.00 0.00 H new ATOM 0 HD13 LEU A 57 12.139 -1.235 -0.463 1.00 0.00 H new ATOM 0 HD21 LEU A 57 12.642 -2.532 2.278 1.00 0.00 H new ATOM 0 HD22 LEU A 57 13.329 -0.968 1.782 1.00 0.00 H new ATOM 0 HD23 LEU A 57 12.370 -1.084 3.276 1.00 0.00 H new ATOM 849 N CYS A 58 9.888 3.071 2.683 1.00 0.00 N ATOM 850 CA CYS A 58 10.002 4.509 2.554 1.00 0.00 C ATOM 851 C CYS A 58 11.289 4.841 1.799 1.00 0.00 C ATOM 852 O CYS A 58 12.008 3.940 1.360 1.00 0.00 O ATOM 853 CB CYS A 58 10.010 5.167 3.937 1.00 0.00 C ATOM 854 SG CYS A 58 11.493 4.808 4.934 1.00 0.00 S ATOM 0 H CYS A 58 10.171 2.708 3.593 1.00 0.00 H new ATOM 0 HA CYS A 58 9.146 4.894 1.999 1.00 0.00 H new ATOM 0 HB2 CYS A 58 9.923 6.246 3.813 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.129 4.838 4.488 1.00 0.00 H new ATOM 0 HG CYS A 58 11.401 5.412 6.082 1.00 0.00 H new ATOM 859 N ARG A 59 11.614 6.119 1.709 1.00 0.00 N ATOM 860 CA ARG A 59 12.846 6.539 1.057 1.00 0.00 C ATOM 861 C ARG A 59 14.069 6.089 1.858 1.00 0.00 C ATOM 862 O ARG A 59 15.017 5.540 1.301 1.00 0.00 O ATOM 863 CB ARG A 59 12.863 8.055 0.876 1.00 0.00 C ATOM 864 CG ARG A 59 13.855 8.521 -0.173 1.00 0.00 C ATOM 865 CD ARG A 59 13.166 8.885 -1.478 1.00 0.00 C ATOM 866 NE ARG A 59 13.724 10.101 -2.057 1.00 0.00 N ATOM 867 CZ ARG A 59 14.759 10.118 -2.902 1.00 0.00 C ATOM 868 NH1 ARG A 59 15.240 8.977 -3.393 1.00 0.00 N ATOM 869 NH2 ARG A 59 15.279 11.278 -3.287 1.00 0.00 N ATOM 0 H ARG A 59 11.046 6.882 2.077 1.00 0.00 H new ATOM 0 HA ARG A 59 12.887 6.067 0.075 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.865 8.392 0.598 1.00 0.00 H new ATOM 0 HB3 ARG A 59 13.104 8.525 1.829 1.00 0.00 H new ATOM 0 HG2 ARG A 59 14.402 9.386 0.203 1.00 0.00 H new ATOM 0 HG3 ARG A 59 14.588 7.735 -0.356 1.00 0.00 H new ATOM 0 HD2 ARG A 59 13.269 8.063 -2.186 1.00 0.00 H new ATOM 0 HD3 ARG A 59 12.099 9.021 -1.301 1.00 0.00 H new ATOM 0 HE ARG A 59 13.299 10.992 -1.802 1.00 0.00 H new ATOM 0 HH11 ARG A 59 14.818 8.088 -3.124 1.00 0.00 H new ATOM 0 HH12 ARG A 59 16.030 8.992 -4.038 1.00 0.00 H new ATOM 0 HH21 ARG A 59 14.888 12.153 -2.938 1.00 0.00 H new ATOM 0 HH22 ARG A 59 16.069 11.294 -3.932 1.00 0.00 H new ATOM 883 N ASN A 60 14.017 6.282 3.171 1.00 0.00 N ATOM 884 CA ASN A 60 15.109 5.878 4.056 1.00 0.00 C ATOM 885 C ASN A 60 15.247 4.359 4.090 1.00 0.00 C ATOM 886 O ASN A 60 16.352 3.825 3.970 1.00 0.00 O ATOM 887 CB ASN A 60 14.871 6.413 5.472 1.00 0.00 C ATOM 888 CG ASN A 60 15.752 5.739 6.508 1.00 0.00 C ATOM 889 OD1 ASN A 60 16.975 5.882 6.487 1.00 0.00 O ATOM 890 ND2 ASN A 60 15.135 5.002 7.420 1.00 0.00 N ATOM 0 H ASN A 60 13.228 6.717 3.650 1.00 0.00 H new ATOM 0 HA ASN A 60 16.035 6.301 3.667 1.00 0.00 H new ATOM 0 HB2 ASN A 60 15.057 7.487 5.486 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.825 6.267 5.740 1.00 0.00 H new ATOM 0 HD21 ASN A 60 15.676 4.526 8.142 1.00 0.00 H new ATOM 0 HD22 ASN A 60 14.119 4.911 7.400 1.00 0.00 H new ATOM 897 N ASP A 61 14.110 3.674 4.192 1.00 0.00 N ATOM 898 CA ASP A 61 14.073 2.213 4.183 1.00 0.00 C ATOM 899 C ASP A 61 14.735 1.682 2.922 1.00 0.00 C ATOM 900 O ASP A 61 15.499 0.716 2.957 1.00 0.00 O ATOM 901 CB ASP A 61 12.629 1.720 4.211 1.00 0.00 C ATOM 902 CG ASP A 61 12.143 1.289 5.576 1.00 0.00 C ATOM 903 OD1 ASP A 61 12.844 0.491 6.239 1.00 0.00 O ATOM 904 OD2 ASP A 61 11.013 1.675 5.952 1.00 0.00 O ATOM 0 H ASP A 61 13.194 4.113 4.283 1.00 0.00 H new ATOM 0 HA ASP A 61 14.604 1.855 5.065 1.00 0.00 H new ATOM 0 HB2 ASP A 61 11.980 2.514 3.841 1.00 0.00 H new ATOM 0 HB3 ASP A 61 12.531 0.881 3.522 1.00 0.00 H new ATOM 909 N TYR A 62 14.410 2.323 1.806 1.00 0.00 N ATOM 910 CA TYR A 62 14.930 1.932 0.506 1.00 0.00 C ATOM 911 C TYR A 62 16.448 2.017 0.470 1.00 0.00 C ATOM 912 O TYR A 62 17.113 1.082 0.033 1.00 0.00 O ATOM 913 CB TYR A 62 14.342 2.830 -0.576 1.00 0.00 C ATOM 914 CG TYR A 62 14.548 2.305 -1.972 1.00 0.00 C ATOM 915 CD1 TYR A 62 14.014 1.085 -2.358 1.00 0.00 C ATOM 916 CD2 TYR A 62 15.267 3.034 -2.910 1.00 0.00 C ATOM 917 CE1 TYR A 62 14.192 0.603 -3.637 1.00 0.00 C ATOM 918 CE2 TYR A 62 15.450 2.558 -4.193 1.00 0.00 C ATOM 919 CZ TYR A 62 14.908 1.344 -4.551 1.00 0.00 C ATOM 920 OH TYR A 62 15.082 0.865 -5.827 1.00 0.00 O ATOM 0 H TYR A 62 13.781 3.125 1.779 1.00 0.00 H new ATOM 0 HA TYR A 62 14.642 0.897 0.324 1.00 0.00 H new ATOM 0 HB2 TYR A 62 13.274 2.950 -0.396 1.00 0.00 H new ATOM 0 HB3 TYR A 62 14.792 3.820 -0.499 1.00 0.00 H new ATOM 0 HD1 TYR A 62 13.449 0.503 -1.645 1.00 0.00 H new ATOM 0 HD2 TYR A 62 15.690 3.988 -2.632 1.00 0.00 H new ATOM 0 HE1 TYR A 62 13.772 -0.351 -3.921 1.00 0.00 H new ATOM 0 HE2 TYR A 62 16.015 3.134 -4.911 1.00 0.00 H new ATOM 0 HH TYR A 62 15.609 1.506 -6.348 1.00 0.00 H new ATOM 930 N ILE A 63 16.985 3.140 0.935 1.00 0.00 N ATOM 931 CA ILE A 63 18.429 3.361 0.946 1.00 0.00 C ATOM 932 C ILE A 63 19.137 2.334 1.834 1.00 0.00 C ATOM 933 O ILE A 63 20.287 1.965 1.586 1.00 0.00 O ATOM 934 CB ILE A 63 18.770 4.791 1.430 1.00 0.00 C ATOM 935 CG1 ILE A 63 18.031 5.841 0.590 1.00 0.00 C ATOM 936 CG2 ILE A 63 20.271 5.039 1.387 1.00 0.00 C ATOM 937 CD1 ILE A 63 18.391 5.814 -0.881 1.00 0.00 C ATOM 0 H ILE A 63 16.440 3.916 1.311 1.00 0.00 H new ATOM 0 HA ILE A 63 18.783 3.243 -0.078 1.00 0.00 H new ATOM 0 HB ILE A 63 18.439 4.880 2.465 1.00 0.00 H new ATOM 0 HG12 ILE A 63 16.957 5.685 0.694 1.00 0.00 H new ATOM 0 HG13 ILE A 63 18.250 6.831 0.989 1.00 0.00 H new ATOM 0 HG21 ILE A 63 20.483 6.051 1.732 1.00 0.00 H new ATOM 0 HG22 ILE A 63 20.777 4.322 2.033 1.00 0.00 H new ATOM 0 HG23 ILE A 63 20.630 4.922 0.364 1.00 0.00 H new ATOM 0 HD11 ILE A 63 17.828 6.585 -1.408 1.00 0.00 H new ATOM 0 HD12 ILE A 63 19.459 6.001 -0.998 1.00 0.00 H new ATOM 0 HD13 ILE A 63 18.146 4.837 -1.298 1.00 0.00 H new ATOM 948 N ARG A 64 18.439 1.853 2.848 1.00 0.00 N ATOM 949 CA ARG A 64 19.000 0.865 3.759 1.00 0.00 C ATOM 950 C ARG A 64 18.958 -0.536 3.153 1.00 0.00 C ATOM 951 O ARG A 64 19.880 -1.330 3.338 1.00 0.00 O ATOM 952 CB ARG A 64 18.252 0.890 5.090 1.00 0.00 C ATOM 953 CG ARG A 64 18.623 2.077 5.961 1.00 0.00 C ATOM 954 CD ARG A 64 17.845 2.085 7.263 1.00 0.00 C ATOM 955 NE ARG A 64 17.916 3.388 7.922 1.00 0.00 N ATOM 956 CZ ARG A 64 17.581 3.604 9.191 1.00 0.00 C ATOM 957 NH1 ARG A 64 17.103 2.618 9.939 1.00 0.00 N ATOM 958 NH2 ARG A 64 17.710 4.821 9.708 1.00 0.00 N ATOM 0 H ARG A 64 17.481 2.130 3.063 1.00 0.00 H new ATOM 0 HA ARG A 64 20.045 1.123 3.933 1.00 0.00 H new ATOM 0 HB2 ARG A 64 17.179 0.910 4.897 1.00 0.00 H new ATOM 0 HB3 ARG A 64 18.460 -0.031 5.634 1.00 0.00 H new ATOM 0 HG2 ARG A 64 19.691 2.050 6.176 1.00 0.00 H new ATOM 0 HG3 ARG A 64 18.430 3.002 5.417 1.00 0.00 H new ATOM 0 HD2 ARG A 64 16.803 1.832 7.067 1.00 0.00 H new ATOM 0 HD3 ARG A 64 18.240 1.318 7.929 1.00 0.00 H new ATOM 0 HE ARG A 64 18.244 4.183 7.373 1.00 0.00 H new ATOM 0 HH11 ARG A 64 16.990 1.685 9.542 1.00 0.00 H new ATOM 0 HH12 ARG A 64 16.849 2.793 10.911 1.00 0.00 H new ATOM 0 HH21 ARG A 64 18.065 5.585 9.132 1.00 0.00 H new ATOM 0 HH22 ARG A 64 17.454 4.992 10.681 1.00 0.00 H new ATOM 972 N LEU A 65 17.882 -0.842 2.442 1.00 0.00 N ATOM 973 CA LEU A 65 17.712 -2.165 1.852 1.00 0.00 C ATOM 974 C LEU A 65 18.410 -2.277 0.495 1.00 0.00 C ATOM 975 O LEU A 65 19.265 -3.138 0.299 1.00 0.00 O ATOM 976 CB LEU A 65 16.224 -2.492 1.694 1.00 0.00 C ATOM 977 CG LEU A 65 15.710 -3.660 2.544 1.00 0.00 C ATOM 978 CD1 LEU A 65 16.612 -4.877 2.394 1.00 0.00 C ATOM 979 CD2 LEU A 65 15.607 -3.247 4.003 1.00 0.00 C ATOM 0 H LEU A 65 17.115 -0.195 2.259 1.00 0.00 H new ATOM 0 HA LEU A 65 18.174 -2.883 2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 65 15.646 -1.602 1.944 1.00 0.00 H new ATOM 0 HB3 LEU A 65 16.029 -2.715 0.645 1.00 0.00 H new ATOM 0 HG LEU A 65 14.716 -3.931 2.189 1.00 0.00 H new ATOM 0 HD11 LEU A 65 16.227 -5.693 3.006 1.00 0.00 H new ATOM 0 HD12 LEU A 65 16.634 -5.187 1.349 1.00 0.00 H new ATOM 0 HD13 LEU A 65 17.621 -4.624 2.719 1.00 0.00 H new ATOM 0 HD21 LEU A 65 15.241 -4.087 4.594 1.00 0.00 H new ATOM 0 HD22 LEU A 65 16.590 -2.949 4.367 1.00 0.00 H new ATOM 0 HD23 LEU A 65 14.916 -2.409 4.096 1.00 0.00 H new ATOM 991 N PHE A 66 17.998 -1.446 -0.453 1.00 0.00 N ATOM 992 CA PHE A 66 18.522 -1.507 -1.817 1.00 0.00 C ATOM 993 C PHE A 66 19.190 -0.191 -2.195 1.00 0.00 C ATOM 994 O PHE A 66 19.001 0.322 -3.298 1.00 0.00 O ATOM 995 CB PHE A 66 17.399 -1.825 -2.813 1.00 0.00 C ATOM 996 CG PHE A 66 16.374 -2.791 -2.284 1.00 0.00 C ATOM 997 CD1 PHE A 66 16.646 -4.149 -2.230 1.00 0.00 C ATOM 998 CD2 PHE A 66 15.143 -2.340 -1.838 1.00 0.00 C ATOM 999 CE1 PHE A 66 15.710 -5.037 -1.738 1.00 0.00 C ATOM 1000 CE2 PHE A 66 14.204 -3.225 -1.345 1.00 0.00 C ATOM 1001 CZ PHE A 66 14.487 -4.574 -1.296 1.00 0.00 C ATOM 0 H PHE A 66 17.300 -0.718 -0.305 1.00 0.00 H new ATOM 0 HA PHE A 66 19.265 -2.303 -1.857 1.00 0.00 H new ATOM 0 HB2 PHE A 66 16.900 -0.897 -3.092 1.00 0.00 H new ATOM 0 HB3 PHE A 66 17.838 -2.237 -3.722 1.00 0.00 H new ATOM 0 HD1 PHE A 66 17.601 -4.517 -2.577 1.00 0.00 H new ATOM 0 HD2 PHE A 66 14.915 -1.285 -1.876 1.00 0.00 H new ATOM 0 HE1 PHE A 66 15.935 -6.093 -1.699 1.00 0.00 H new ATOM 0 HE2 PHE A 66 13.248 -2.861 -0.998 1.00 0.00 H new ATOM 0 HZ PHE A 66 13.753 -5.267 -0.912 1.00 0.00 H new ATOM 1011 N GLY A 67 19.912 0.386 -1.249 1.00 0.00 N ATOM 1012 CA GLY A 67 20.542 1.671 -1.477 1.00 0.00 C ATOM 1013 C GLY A 67 21.846 1.559 -2.242 1.00 0.00 C ATOM 1014 O GLY A 67 22.916 1.838 -1.700 1.00 0.00 O ATOM 0 H GLY A 67 20.074 -0.013 -0.324 1.00 0.00 H new ATOM 0 HA2 GLY A 67 19.856 2.314 -2.029 1.00 0.00 H new ATOM 0 HA3 GLY A 67 20.729 2.154 -0.518 1.00 0.00 H new ATOM 1424 N GLU A 102 9.327 5.162 -7.272 1.00 0.00 N ATOM 1425 CA GLU A 102 8.371 5.514 -6.230 1.00 0.00 C ATOM 1426 C GLU A 102 7.059 6.034 -6.828 1.00 0.00 C ATOM 1427 O GLU A 102 6.589 5.520 -7.846 1.00 0.00 O ATOM 1428 CB GLU A 102 8.985 6.556 -5.284 1.00 0.00 C ATOM 1429 CG GLU A 102 9.673 7.718 -5.993 1.00 0.00 C ATOM 1430 CD GLU A 102 8.957 9.037 -5.774 1.00 0.00 C ATOM 1431 OE1 GLU A 102 7.981 9.067 -4.993 1.00 0.00 O ATOM 1432 OE2 GLU A 102 9.355 10.048 -6.390 1.00 0.00 O ATOM 0 HA GLU A 102 8.139 4.613 -5.662 1.00 0.00 H new ATOM 0 HB2 GLU A 102 8.200 6.952 -4.640 1.00 0.00 H new ATOM 0 HB3 GLU A 102 9.709 6.061 -4.637 1.00 0.00 H new ATOM 0 HG2 GLU A 102 10.699 7.801 -5.635 1.00 0.00 H new ATOM 0 HG3 GLU A 102 9.724 7.509 -7.062 1.00 0.00 H new ATOM 1439 N ARG A 103 6.497 7.074 -6.206 1.00 0.00 N ATOM 1440 CA ARG A 103 5.264 7.707 -6.670 1.00 0.00 C ATOM 1441 C ARG A 103 4.106 6.716 -6.710 1.00 0.00 C ATOM 1442 O ARG A 103 3.347 6.664 -7.678 1.00 0.00 O ATOM 1443 CB ARG A 103 5.466 8.350 -8.048 1.00 0.00 C ATOM 1444 CG ARG A 103 4.853 9.738 -8.169 1.00 0.00 C ATOM 1445 CD ARG A 103 4.952 10.514 -6.864 1.00 0.00 C ATOM 1446 NE ARG A 103 6.322 10.926 -6.575 1.00 0.00 N ATOM 1447 CZ ARG A 103 6.731 12.191 -6.555 1.00 0.00 C ATOM 1448 NH1 ARG A 103 5.866 13.181 -6.729 1.00 0.00 N ATOM 1449 NH2 ARG A 103 8.008 12.459 -6.348 1.00 0.00 N ATOM 0 H ARG A 103 6.887 7.500 -5.365 1.00 0.00 H new ATOM 0 HA ARG A 103 5.010 8.489 -5.955 1.00 0.00 H new ATOM 0 HB2 ARG A 103 6.534 8.414 -8.257 1.00 0.00 H new ATOM 0 HB3 ARG A 103 5.031 7.702 -8.809 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.359 10.291 -8.960 1.00 0.00 H new ATOM 0 HG3 ARG A 103 3.807 9.649 -8.461 1.00 0.00 H new ATOM 0 HD2 ARG A 103 4.312 11.395 -6.917 1.00 0.00 H new ATOM 0 HD3 ARG A 103 4.579 9.897 -6.046 1.00 0.00 H new ATOM 0 HE ARG A 103 7.008 10.198 -6.376 1.00 0.00 H new ATOM 0 HH11 ARG A 103 4.878 12.975 -6.880 1.00 0.00 H new ATOM 0 HH12 ARG A 103 6.188 14.149 -6.712 1.00 0.00 H new ATOM 0 HH21 ARG A 103 8.672 11.698 -6.205 1.00 0.00 H new ATOM 0 HH22 ARG A 103 8.330 13.427 -6.331 1.00 0.00 H new ATOM 1463 N LEU A 104 3.960 5.944 -5.645 1.00 0.00 N ATOM 1464 CA LEU A 104 2.889 4.965 -5.568 1.00 0.00 C ATOM 1465 C LEU A 104 1.859 5.357 -4.517 1.00 0.00 C ATOM 1466 O LEU A 104 0.848 4.675 -4.352 1.00 0.00 O ATOM 1467 CB LEU A 104 3.457 3.580 -5.251 1.00 0.00 C ATOM 1468 CG LEU A 104 4.122 2.860 -6.424 1.00 0.00 C ATOM 1469 CD1 LEU A 104 5.533 2.433 -6.057 1.00 0.00 C ATOM 1470 CD2 LEU A 104 3.297 1.656 -6.845 1.00 0.00 C ATOM 0 H LEU A 104 4.567 5.976 -4.826 1.00 0.00 H new ATOM 0 HA LEU A 104 2.393 4.935 -6.538 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.187 3.680 -4.447 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.650 2.953 -4.872 1.00 0.00 H new ATOM 0 HG LEU A 104 4.179 3.552 -7.264 1.00 0.00 H new ATOM 0 HD11 LEU A 104 5.991 1.922 -6.904 1.00 0.00 H new ATOM 0 HD12 LEU A 104 6.124 3.312 -5.801 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.498 1.758 -5.202 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.785 1.155 -7.681 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.210 0.964 -6.008 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.303 1.984 -7.149 1.00 0.00 H new ATOM 1482 N ILE A 105 2.129 6.433 -3.778 1.00 0.00 N ATOM 1483 CA ILE A 105 1.232 6.850 -2.706 1.00 0.00 C ATOM 1484 C ILE A 105 0.206 7.871 -3.191 1.00 0.00 C ATOM 1485 O ILE A 105 0.551 8.968 -3.635 1.00 0.00 O ATOM 1486 CB ILE A 105 2.005 7.422 -1.485 1.00 0.00 C ATOM 1487 CG1 ILE A 105 2.486 6.283 -0.584 1.00 0.00 C ATOM 1488 CG2 ILE A 105 1.139 8.392 -0.678 1.00 0.00 C ATOM 1489 CD1 ILE A 105 3.262 6.758 0.625 1.00 0.00 C ATOM 0 H ILE A 105 2.951 7.024 -3.901 1.00 0.00 H new ATOM 0 HA ILE A 105 0.705 5.951 -2.386 1.00 0.00 H new ATOM 0 HB ILE A 105 2.866 7.972 -1.865 1.00 0.00 H new ATOM 0 HG12 ILE A 105 1.624 5.706 -0.249 1.00 0.00 H new ATOM 0 HG13 ILE A 105 3.114 5.609 -1.167 1.00 0.00 H new ATOM 0 HG21 ILE A 105 1.711 8.773 0.168 1.00 0.00 H new ATOM 0 HG22 ILE A 105 0.835 9.223 -1.314 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.254 7.872 -0.313 1.00 0.00 H new ATOM 0 HD11 ILE A 105 3.572 5.898 1.219 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.143 7.310 0.298 1.00 0.00 H new ATOM 0 HD13 ILE A 105 2.630 7.408 1.230 1.00 0.00 H new ATOM 1500 N THR A 106 -1.053 7.536 -2.970 1.00 0.00 N ATOM 1501 CA THR A 106 -2.159 8.451 -3.196 1.00 0.00 C ATOM 1502 C THR A 106 -2.910 8.617 -1.879 1.00 0.00 C ATOM 1503 O THR A 106 -3.296 7.624 -1.267 1.00 0.00 O ATOM 1504 CB THR A 106 -3.112 7.898 -4.268 1.00 0.00 C ATOM 1505 OG1 THR A 106 -2.408 6.966 -5.101 1.00 0.00 O ATOM 1506 CG2 THR A 106 -3.702 8.997 -5.126 1.00 0.00 C ATOM 0 H THR A 106 -1.338 6.619 -2.628 1.00 0.00 H new ATOM 0 HA THR A 106 -1.777 9.410 -3.546 1.00 0.00 H new ATOM 0 HB THR A 106 -3.935 7.400 -3.754 1.00 0.00 H new ATOM 0 HG1 THR A 106 -3.016 6.613 -5.783 1.00 0.00 H new ATOM 0 HG21 THR A 106 -4.369 8.560 -5.869 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.263 9.688 -4.497 1.00 0.00 H new ATOM 0 HG23 THR A 106 -2.900 9.535 -5.630 1.00 0.00 H new ATOM 1514 N ARG A 107 -2.902 9.816 -1.320 1.00 0.00 N ATOM 1515 CA ARG A 107 -3.396 9.989 0.036 1.00 0.00 C ATOM 1516 C ARG A 107 -4.305 11.201 0.188 1.00 0.00 C ATOM 1517 O ARG A 107 -3.840 12.338 0.183 1.00 0.00 O ATOM 1518 CB ARG A 107 -2.218 10.106 1.009 1.00 0.00 C ATOM 1519 CG ARG A 107 -2.598 9.907 2.470 1.00 0.00 C ATOM 1520 CD ARG A 107 -3.143 11.190 3.081 1.00 0.00 C ATOM 1521 NE ARG A 107 -2.782 11.339 4.489 1.00 0.00 N ATOM 1522 CZ ARG A 107 -1.745 12.047 4.929 1.00 0.00 C ATOM 1523 NH1 ARG A 107 -0.940 12.665 4.075 1.00 0.00 N ATOM 1524 NH2 ARG A 107 -1.520 12.137 6.236 1.00 0.00 N ATOM 0 H ARG A 107 -2.567 10.667 -1.772 1.00 0.00 H new ATOM 0 HA ARG A 107 -3.994 9.108 0.268 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -1.462 9.370 0.738 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -1.761 11.089 0.894 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -3.346 9.118 2.549 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -1.725 9.576 3.033 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -2.764 12.045 2.520 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -4.229 11.201 2.985 1.00 0.00 H new ATOM 0 HE ARG A 107 -3.364 10.868 5.182 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -1.114 12.600 3.072 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -0.147 13.206 4.421 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -2.140 11.665 6.894 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -0.727 12.678 6.581 1.00 0.00 H new ATOM 1538 N LEU A 108 -5.523 10.925 0.619 1.00 0.00 N ATOM 1539 CA LEU A 108 -6.410 11.951 1.145 1.00 0.00 C ATOM 1540 C LEU A 108 -7.248 11.310 2.235 1.00 0.00 C ATOM 1541 O LEU A 108 -8.123 10.491 1.945 1.00 0.00 O ATOM 1542 CB LEU A 108 -7.316 12.535 0.052 1.00 0.00 C ATOM 1543 CG LEU A 108 -6.946 13.938 -0.451 1.00 0.00 C ATOM 1544 CD1 LEU A 108 -6.211 14.730 0.622 1.00 0.00 C ATOM 1545 CD2 LEU A 108 -6.106 13.841 -1.714 1.00 0.00 C ATOM 0 H LEU A 108 -5.925 9.988 0.615 1.00 0.00 H new ATOM 0 HA LEU A 108 -5.820 12.779 1.538 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -7.312 11.853 -0.798 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -8.337 12.565 0.432 1.00 0.00 H new ATOM 0 HG LEU A 108 -7.869 14.469 -0.685 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -5.962 15.719 0.238 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -6.849 14.832 1.500 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -5.296 14.207 0.898 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -5.851 14.843 -2.059 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -5.192 13.287 -1.501 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -6.672 13.323 -2.489 1.00 0.00 H new ATOM 1557 N GLU A 109 -6.889 11.557 3.483 1.00 0.00 N ATOM 1558 CA GLU A 109 -7.527 10.856 4.583 1.00 0.00 C ATOM 1559 C GLU A 109 -8.774 11.592 5.044 1.00 0.00 C ATOM 1560 O GLU A 109 -8.778 12.275 6.072 1.00 0.00 O ATOM 1561 CB GLU A 109 -6.533 10.669 5.731 1.00 0.00 C ATOM 1562 CG GLU A 109 -5.629 9.459 5.542 1.00 0.00 C ATOM 1563 CD GLU A 109 -4.457 9.437 6.502 1.00 0.00 C ATOM 1564 OE1 GLU A 109 -3.899 10.515 6.792 1.00 0.00 O ATOM 1565 OE2 GLU A 109 -4.075 8.340 6.952 1.00 0.00 O ATOM 0 H GLU A 109 -6.170 12.227 3.757 1.00 0.00 H new ATOM 0 HA GLU A 109 -7.840 9.871 4.238 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -5.918 11.565 5.822 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -7.082 10.563 6.667 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -6.216 8.550 5.674 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -5.253 9.450 4.519 1.00 0.00 H new