USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=22 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 35 CYS SG : rot 138:sc= 2.77 USER MOD Set 1.2: A 37 SER OG : rot 67:sc= 0.777 USER MOD Set 1.3: A 38 CYS SG : rot 59:sc= 0.412 USER MOD Set 1.4: A 58 CYS SG : rot -139:sc= -1.55 USER MOD Set 2.1: A 8 CYS SG : rot 161:sc= 1.44 USER MOD Set 2.2: A 11 CYS SG : rot -45:sc= 1.06! USER MOD Set 2.3: A 29 HIS : no HD1:sc= -0.72 K(o=-0.52,f=-2.3) USER MOD Set 2.4: A 32 CYS SG : rot 136:sc= -2.3! USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot -18:sc= -0.507 USER MOD Single : A 24 MET CE :methyl -153:sc= -0.0858 (180deg=-0.534) USER MOD Single : A 26 SER OG : rot 71:sc= 0.0225 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0.163 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot -90:sc= 0.706 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -4.91! C(o=-4.9!,f=-9.8!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 5:sc= 1.03 USER MOD Single : A 49 SER OG : rot -178:sc= -3.84! USER MOD Single : A 50 TYR OH : rot 30:sc= 0.704 USER MOD Single : A 51 THR OG1 : rot 170:sc= -0.198 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 118:sc= 0.162 USER MOD Single : A 55 MET CE :methyl -170:sc= -1.12 (180deg=-1.18) USER MOD Single : A 60 ASN : amide:sc= -0.0428 K(o=-0.043,f=-1.6!) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.561 USER MOD Single : A 106 THR OG1 : rot 82:sc= 0.0224 USER MOD ----------------------------------------------------------------- ATOM 97 N ARG A 7 -10.969 -1.744 0.085 1.00 0.00 N ATOM 98 CA ARG A 7 -10.495 -2.772 0.999 1.00 0.00 C ATOM 99 C ARG A 7 -8.984 -2.666 1.185 1.00 0.00 C ATOM 100 O ARG A 7 -8.257 -2.331 0.250 1.00 0.00 O ATOM 101 CB ARG A 7 -10.886 -4.165 0.494 1.00 0.00 C ATOM 102 CG ARG A 7 -9.949 -4.736 -0.562 1.00 0.00 C ATOM 103 CD ARG A 7 -9.554 -6.172 -0.251 1.00 0.00 C ATOM 104 NE ARG A 7 -9.736 -6.511 1.163 1.00 0.00 N ATOM 105 CZ ARG A 7 -9.143 -7.542 1.761 1.00 0.00 C ATOM 106 NH1 ARG A 7 -8.260 -8.281 1.100 1.00 0.00 N ATOM 107 NH2 ARG A 7 -9.421 -7.829 3.025 1.00 0.00 N ATOM 0 HA ARG A 7 -10.969 -2.618 1.968 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -10.919 -4.850 1.342 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -11.894 -4.119 0.082 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -10.433 -4.696 -1.538 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -9.053 -4.118 -0.625 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -10.149 -6.850 -0.863 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -8.511 -6.326 -0.527 1.00 0.00 H new ATOM 0 HE ARG A 7 -10.353 -5.922 1.722 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -8.034 -8.060 0.130 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -7.808 -9.070 1.562 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -10.091 -7.259 3.542 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -8.965 -8.620 3.481 1.00 0.00 H new ATOM 121 N CYS A 8 -8.542 -2.853 2.418 1.00 0.00 N ATOM 122 CA CYS A 8 -7.151 -2.669 2.779 1.00 0.00 C ATOM 123 C CYS A 8 -6.328 -3.929 2.536 1.00 0.00 C ATOM 124 O CYS A 8 -6.709 -5.033 2.938 1.00 0.00 O ATOM 125 CB CYS A 8 -7.070 -2.262 4.248 1.00 0.00 C ATOM 126 SG CYS A 8 -5.384 -2.020 4.894 1.00 0.00 S ATOM 0 H CYS A 8 -9.139 -3.137 3.195 1.00 0.00 H new ATOM 0 HA CYS A 8 -6.732 -1.886 2.147 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.630 -1.337 4.383 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.566 -3.025 4.848 1.00 0.00 H new ATOM 0 HG CYS A 8 -5.434 -1.315 5.985 1.00 0.00 H new ATOM 131 N ALA A 9 -5.154 -3.730 1.966 1.00 0.00 N ATOM 132 CA ALA A 9 -4.201 -4.802 1.759 1.00 0.00 C ATOM 133 C ALA A 9 -3.087 -4.713 2.794 1.00 0.00 C ATOM 134 O ALA A 9 -2.141 -5.504 2.781 1.00 0.00 O ATOM 135 CB ALA A 9 -3.629 -4.735 0.355 1.00 0.00 C ATOM 0 H ALA A 9 -4.835 -2.820 1.634 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.712 -5.758 1.876 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.915 -5.546 0.214 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.436 -4.831 -0.372 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.125 -3.779 0.213 1.00 0.00 H new ATOM 141 N GLY A 10 -3.218 -3.755 3.702 1.00 0.00 N ATOM 142 CA GLY A 10 -2.231 -3.572 4.743 1.00 0.00 C ATOM 143 C GLY A 10 -2.457 -4.504 5.909 1.00 0.00 C ATOM 144 O GLY A 10 -1.540 -5.215 6.331 1.00 0.00 O ATOM 0 H GLY A 10 -3.997 -3.098 3.734 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.236 -3.741 4.332 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.261 -2.540 5.093 1.00 0.00 H new ATOM 148 N CYS A 11 -3.696 -4.570 6.376 1.00 0.00 N ATOM 149 CA CYS A 11 -4.047 -5.497 7.434 1.00 0.00 C ATOM 150 C CYS A 11 -4.791 -6.690 6.847 1.00 0.00 C ATOM 151 O CYS A 11 -4.180 -7.682 6.447 1.00 0.00 O ATOM 152 CB CYS A 11 -4.879 -4.800 8.523 1.00 0.00 C ATOM 153 SG CYS A 11 -6.343 -3.893 7.920 1.00 0.00 S ATOM 0 H CYS A 11 -4.468 -3.995 6.039 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.133 -5.857 7.906 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.207 -5.550 9.243 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.235 -4.103 9.060 1.00 0.00 H new ATOM 0 HG CYS A 11 -6.018 -3.189 6.877 1.00 0.00 H new ATOM 158 N GLY A 12 -6.101 -6.557 6.722 1.00 0.00 N ATOM 159 CA GLY A 12 -6.893 -7.611 6.131 1.00 0.00 C ATOM 160 C GLY A 12 -8.379 -7.413 6.323 1.00 0.00 C ATOM 161 O GLY A 12 -9.060 -8.295 6.841 1.00 0.00 O ATOM 0 H GLY A 12 -6.630 -5.737 7.020 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -6.675 -7.667 5.065 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -6.600 -8.566 6.567 1.00 0.00 H new ATOM 165 N GLY A 13 -8.897 -6.283 5.864 1.00 0.00 N ATOM 166 CA GLY A 13 -10.309 -6.038 5.944 1.00 0.00 C ATOM 167 C GLY A 13 -10.727 -4.933 5.008 1.00 0.00 C ATOM 168 O GLY A 13 -10.096 -4.705 3.975 1.00 0.00 O ATOM 0 H GLY A 13 -8.355 -5.532 5.437 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.853 -6.950 5.699 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -10.577 -5.772 6.967 1.00 0.00 H new ATOM 172 N LYS A 14 -11.762 -4.233 5.395 1.00 0.00 N ATOM 173 CA LYS A 14 -12.270 -3.103 4.631 1.00 0.00 C ATOM 174 C LYS A 14 -11.806 -1.798 5.256 1.00 0.00 C ATOM 175 O LYS A 14 -11.533 -1.738 6.458 1.00 0.00 O ATOM 176 CB LYS A 14 -13.798 -3.128 4.576 1.00 0.00 C ATOM 177 CG LYS A 14 -14.374 -4.444 4.086 1.00 0.00 C ATOM 178 CD LYS A 14 -15.868 -4.520 4.342 1.00 0.00 C ATOM 179 CE LYS A 14 -16.205 -5.593 5.363 1.00 0.00 C ATOM 180 NZ LYS A 14 -16.604 -5.016 6.673 1.00 0.00 N ATOM 0 H LYS A 14 -12.284 -4.424 6.250 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.881 -3.178 3.616 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.191 -2.919 5.571 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -14.141 -2.326 3.922 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -14.179 -4.554 3.019 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -13.874 -5.272 4.588 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -16.227 -3.554 4.696 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -16.388 -4.730 3.407 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -17.014 -6.215 4.980 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.342 -6.244 5.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -16.825 -5.784 7.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -15.823 -4.443 7.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -17.444 -4.416 6.547 1.00 0.00 H new ATOM 194 N ILE A 15 -11.763 -0.747 4.458 1.00 0.00 N ATOM 195 CA ILE A 15 -11.397 0.562 4.961 1.00 0.00 C ATOM 196 C ILE A 15 -12.639 1.413 5.183 1.00 0.00 C ATOM 197 O ILE A 15 -13.085 2.127 4.285 1.00 0.00 O ATOM 198 CB ILE A 15 -10.440 1.300 4.009 1.00 0.00 C ATOM 199 CG1 ILE A 15 -9.599 0.297 3.210 1.00 0.00 C ATOM 200 CG2 ILE A 15 -9.552 2.248 4.799 1.00 0.00 C ATOM 201 CD1 ILE A 15 -8.471 0.930 2.427 1.00 0.00 C ATOM 0 H ILE A 15 -11.977 -0.775 3.461 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.881 0.405 5.908 1.00 0.00 H new ATOM 0 HB ILE A 15 -11.026 1.886 3.300 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.183 -0.441 3.896 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -10.250 -0.240 2.520 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -8.877 2.767 4.118 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -10.172 2.977 5.321 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.969 1.681 5.525 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.923 0.157 1.889 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.880 1.647 1.715 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.796 1.443 3.112 1.00 0.00 H new ATOM 212 N ALA A 16 -13.150 1.382 6.402 1.00 0.00 N ATOM 213 CA ALA A 16 -14.308 2.186 6.769 1.00 0.00 C ATOM 214 C ALA A 16 -13.857 3.517 7.352 1.00 0.00 C ATOM 215 O ALA A 16 -14.526 4.103 8.205 1.00 0.00 O ATOM 216 CB ALA A 16 -15.180 1.432 7.764 1.00 0.00 C ATOM 0 H ALA A 16 -12.781 0.807 7.159 1.00 0.00 H new ATOM 0 HA ALA A 16 -14.899 2.382 5.875 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -16.042 2.044 8.030 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.522 0.500 7.315 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.601 1.211 8.661 1.00 0.00 H new ATOM 222 N ASP A 17 -12.683 3.952 6.927 1.00 0.00 N ATOM 223 CA ASP A 17 -12.082 5.173 7.432 1.00 0.00 C ATOM 224 C ASP A 17 -12.408 6.349 6.524 1.00 0.00 C ATOM 225 O ASP A 17 -12.601 6.180 5.319 1.00 0.00 O ATOM 226 CB ASP A 17 -10.567 5.004 7.539 1.00 0.00 C ATOM 227 CG ASP A 17 -10.133 4.469 8.889 1.00 0.00 C ATOM 228 OD1 ASP A 17 -10.361 3.272 9.165 1.00 0.00 O ATOM 229 OD2 ASP A 17 -9.554 5.244 9.680 1.00 0.00 O ATOM 0 H ASP A 17 -12.122 3.470 6.225 1.00 0.00 H new ATOM 0 HA ASP A 17 -12.493 5.375 8.421 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.225 4.326 6.757 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.085 5.965 7.361 1.00 0.00 H new ATOM 234 N ARG A 18 -12.409 7.539 7.100 1.00 0.00 N ATOM 235 CA ARG A 18 -12.635 8.765 6.348 1.00 0.00 C ATOM 236 C ARG A 18 -11.377 9.128 5.570 1.00 0.00 C ATOM 237 O ARG A 18 -11.420 9.858 4.575 1.00 0.00 O ATOM 238 CB ARG A 18 -13.002 9.901 7.307 1.00 0.00 C ATOM 239 CG ARG A 18 -13.594 11.116 6.620 1.00 0.00 C ATOM 240 CD ARG A 18 -15.110 11.079 6.652 1.00 0.00 C ATOM 241 NE ARG A 18 -15.689 12.410 6.800 1.00 0.00 N ATOM 242 CZ ARG A 18 -16.954 12.711 6.505 1.00 0.00 C ATOM 243 NH1 ARG A 18 -17.767 11.781 6.020 1.00 0.00 N ATOM 244 NH2 ARG A 18 -17.396 13.948 6.687 1.00 0.00 N ATOM 0 H ARG A 18 -12.254 7.684 8.098 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.456 8.612 5.648 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.715 9.527 8.042 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -12.110 10.204 7.855 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -13.239 12.023 7.110 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.250 11.156 5.586 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.480 10.623 5.734 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -15.439 10.447 7.477 1.00 0.00 H new ATOM 0 HE ARG A 18 -15.089 13.156 7.151 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -17.425 10.832 5.872 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -18.734 12.016 5.796 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -16.769 14.665 7.051 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -18.363 14.182 6.463 1.00 0.00 H new ATOM 258 N PHE A 19 -10.255 8.620 6.056 1.00 0.00 N ATOM 259 CA PHE A 19 -8.957 8.875 5.456 1.00 0.00 C ATOM 260 C PHE A 19 -8.261 7.556 5.159 1.00 0.00 C ATOM 261 O PHE A 19 -8.169 6.691 6.028 1.00 0.00 O ATOM 262 CB PHE A 19 -8.106 9.714 6.412 1.00 0.00 C ATOM 263 CG PHE A 19 -8.825 10.913 6.955 1.00 0.00 C ATOM 264 CD1 PHE A 19 -8.984 12.051 6.185 1.00 0.00 C ATOM 265 CD2 PHE A 19 -9.358 10.891 8.234 1.00 0.00 C ATOM 266 CE1 PHE A 19 -9.660 13.147 6.680 1.00 0.00 C ATOM 267 CE2 PHE A 19 -10.038 11.983 8.732 1.00 0.00 C ATOM 268 CZ PHE A 19 -10.189 13.113 7.954 1.00 0.00 C ATOM 0 H PHE A 19 -10.220 8.018 6.879 1.00 0.00 H new ATOM 0 HA PHE A 19 -9.090 9.423 4.523 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -7.782 9.087 7.243 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -7.207 10.044 5.892 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -8.575 12.082 5.186 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -9.240 10.010 8.847 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -9.775 14.031 6.071 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.452 11.954 9.729 1.00 0.00 H new ATOM 0 HZ PHE A 19 -10.720 13.969 8.342 1.00 0.00 H new ATOM 278 N LEU A 20 -7.808 7.384 3.926 1.00 0.00 N ATOM 279 CA LEU A 20 -7.156 6.143 3.525 1.00 0.00 C ATOM 280 C LEU A 20 -6.144 6.389 2.408 1.00 0.00 C ATOM 281 O LEU A 20 -5.988 7.519 1.937 1.00 0.00 O ATOM 282 CB LEU A 20 -8.203 5.071 3.132 1.00 0.00 C ATOM 283 CG LEU A 20 -8.922 5.197 1.765 1.00 0.00 C ATOM 284 CD1 LEU A 20 -9.084 6.640 1.309 1.00 0.00 C ATOM 285 CD2 LEU A 20 -8.203 4.378 0.707 1.00 0.00 C ATOM 0 H LEU A 20 -7.879 8.084 3.187 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.601 5.757 4.380 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -7.707 4.101 3.156 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -8.969 5.057 3.908 1.00 0.00 H new ATOM 0 HG LEU A 20 -9.928 4.800 1.903 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -9.594 6.662 0.346 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -9.672 7.190 2.044 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.102 7.103 1.210 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.722 4.479 -0.246 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.179 4.737 0.602 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.191 3.329 1.005 1.00 0.00 H new ATOM 297 N LEU A 21 -5.438 5.341 2.014 1.00 0.00 N ATOM 298 CA LEU A 21 -4.419 5.449 0.987 1.00 0.00 C ATOM 299 C LEU A 21 -4.626 4.397 -0.096 1.00 0.00 C ATOM 300 O LEU A 21 -5.117 3.303 0.171 1.00 0.00 O ATOM 301 CB LEU A 21 -3.035 5.284 1.615 1.00 0.00 C ATOM 302 CG LEU A 21 -1.959 6.224 1.073 1.00 0.00 C ATOM 303 CD1 LEU A 21 -1.161 6.832 2.216 1.00 0.00 C ATOM 304 CD2 LEU A 21 -1.042 5.483 0.112 1.00 0.00 C ATOM 0 H LEU A 21 -5.555 4.402 2.394 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.495 6.434 0.526 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.121 5.438 2.691 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.706 4.256 1.465 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.446 7.032 0.527 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.399 7.499 1.813 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.829 7.396 2.867 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.682 6.038 2.788 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.281 6.167 -0.265 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.560 4.656 0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.626 5.095 -0.722 1.00 0.00 H new ATOM 316 N TYR A 22 -4.190 4.717 -1.299 1.00 0.00 N ATOM 317 CA TYR A 22 -4.222 3.781 -2.411 1.00 0.00 C ATOM 318 C TYR A 22 -2.807 3.627 -2.959 1.00 0.00 C ATOM 319 O TYR A 22 -2.115 4.622 -3.174 1.00 0.00 O ATOM 320 CB TYR A 22 -5.156 4.268 -3.531 1.00 0.00 C ATOM 321 CG TYR A 22 -6.413 4.991 -3.070 1.00 0.00 C ATOM 322 CD1 TYR A 22 -6.386 6.341 -2.727 1.00 0.00 C ATOM 323 CD2 TYR A 22 -7.635 4.332 -3.018 1.00 0.00 C ATOM 324 CE1 TYR A 22 -7.537 7.002 -2.342 1.00 0.00 C ATOM 325 CE2 TYR A 22 -8.790 4.991 -2.641 1.00 0.00 C ATOM 326 CZ TYR A 22 -8.735 6.324 -2.303 1.00 0.00 C ATOM 327 OH TYR A 22 -9.887 6.979 -1.927 1.00 0.00 O ATOM 0 H TYR A 22 -3.804 5.631 -1.535 1.00 0.00 H new ATOM 0 HA TYR A 22 -4.603 2.825 -2.052 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -4.594 4.935 -4.184 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -5.452 3.408 -4.132 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -5.451 6.880 -2.763 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -7.683 3.285 -3.277 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -7.497 8.047 -2.073 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -9.731 4.462 -2.612 1.00 0.00 H new ATOM 0 HH TYR A 22 -9.654 7.805 -1.454 1.00 0.00 H new ATOM 337 N ALA A 23 -2.343 2.397 -3.102 1.00 0.00 N ATOM 338 CA ALA A 23 -0.984 2.159 -3.566 1.00 0.00 C ATOM 339 C ALA A 23 -0.857 0.813 -4.269 1.00 0.00 C ATOM 340 O ALA A 23 -1.208 -0.223 -3.698 1.00 0.00 O ATOM 341 CB ALA A 23 -0.010 2.237 -2.400 1.00 0.00 C ATOM 0 H ALA A 23 -2.881 1.553 -2.906 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.740 2.936 -4.291 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.003 2.057 -2.760 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.064 3.227 -1.946 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.270 1.483 -1.657 1.00 0.00 H new ATOM 347 N MET A 24 -0.304 0.837 -5.484 1.00 0.00 N ATOM 348 CA MET A 24 -0.037 -0.378 -6.260 1.00 0.00 C ATOM 349 C MET A 24 -1.320 -1.136 -6.588 1.00 0.00 C ATOM 350 O MET A 24 -1.380 -2.357 -6.447 1.00 0.00 O ATOM 351 CB MET A 24 0.934 -1.297 -5.508 1.00 0.00 C ATOM 352 CG MET A 24 2.366 -1.221 -6.008 1.00 0.00 C ATOM 353 SD MET A 24 2.831 -2.656 -6.999 1.00 0.00 S ATOM 354 CE MET A 24 2.769 -3.951 -5.763 1.00 0.00 C ATOM 0 H MET A 24 -0.029 1.697 -5.958 1.00 0.00 H new ATOM 0 HA MET A 24 0.418 -0.066 -7.200 1.00 0.00 H new ATOM 0 HB2 MET A 24 0.915 -1.040 -4.449 1.00 0.00 H new ATOM 0 HB3 MET A 24 0.584 -2.326 -5.593 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.492 -0.317 -6.603 1.00 0.00 H new ATOM 0 HG3 MET A 24 3.041 -1.138 -5.156 1.00 0.00 H new ATOM 0 HE1 MET A 24 3.452 -4.754 -6.042 1.00 0.00 H new ATOM 0 HE2 MET A 24 3.063 -3.545 -4.795 1.00 0.00 H new ATOM 0 HE3 MET A 24 1.754 -4.344 -5.698 1.00 0.00 H new ATOM 364 N ASP A 25 -2.354 -0.399 -6.995 1.00 0.00 N ATOM 365 CA ASP A 25 -3.658 -0.985 -7.332 1.00 0.00 C ATOM 366 C ASP A 25 -4.281 -1.666 -6.122 1.00 0.00 C ATOM 367 O ASP A 25 -5.189 -2.486 -6.252 1.00 0.00 O ATOM 368 CB ASP A 25 -3.547 -1.987 -8.492 1.00 0.00 C ATOM 369 CG ASP A 25 -4.003 -1.405 -9.814 1.00 0.00 C ATOM 370 OD1 ASP A 25 -3.666 -0.242 -10.108 1.00 0.00 O ATOM 371 OD2 ASP A 25 -4.708 -2.109 -10.570 1.00 0.00 O ATOM 0 H ASP A 25 -2.315 0.615 -7.101 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.303 -0.165 -7.648 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.512 -2.318 -8.583 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.145 -2.869 -8.263 1.00 0.00 H new ATOM 376 N SER A 26 -3.813 -1.298 -4.944 1.00 0.00 N ATOM 377 CA SER A 26 -4.360 -1.819 -3.706 1.00 0.00 C ATOM 378 C SER A 26 -4.654 -0.667 -2.765 1.00 0.00 C ATOM 379 O SER A 26 -4.087 0.413 -2.905 1.00 0.00 O ATOM 380 CB SER A 26 -3.381 -2.800 -3.056 1.00 0.00 C ATOM 381 OG SER A 26 -2.380 -3.208 -3.975 1.00 0.00 O ATOM 0 H SER A 26 -3.049 -0.634 -4.819 1.00 0.00 H new ATOM 0 HA SER A 26 -5.284 -2.356 -3.921 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.914 -2.332 -2.189 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.923 -3.673 -2.693 1.00 0.00 H new ATOM 0 HG SER A 26 -1.770 -2.460 -4.148 1.00 0.00 H new ATOM 387 N TYR A 27 -5.565 -0.875 -1.842 1.00 0.00 N ATOM 388 CA TYR A 27 -5.934 0.169 -0.908 1.00 0.00 C ATOM 389 C TYR A 27 -5.420 -0.176 0.481 1.00 0.00 C ATOM 390 O TYR A 27 -5.106 -1.332 0.761 1.00 0.00 O ATOM 391 CB TYR A 27 -7.448 0.374 -0.906 1.00 0.00 C ATOM 392 CG TYR A 27 -8.059 0.416 -2.292 1.00 0.00 C ATOM 393 CD1 TYR A 27 -7.489 1.176 -3.310 1.00 0.00 C ATOM 394 CD2 TYR A 27 -9.210 -0.303 -2.580 1.00 0.00 C ATOM 395 CE1 TYR A 27 -8.052 1.214 -4.570 1.00 0.00 C ATOM 396 CE2 TYR A 27 -9.779 -0.265 -3.836 1.00 0.00 C ATOM 397 CZ TYR A 27 -9.197 0.495 -4.826 1.00 0.00 C ATOM 398 OH TYR A 27 -9.767 0.541 -6.076 1.00 0.00 O ATOM 0 H TYR A 27 -6.065 -1.755 -1.716 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.475 1.107 -1.219 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.914 -0.431 -0.337 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.679 1.305 -0.388 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.593 1.745 -3.111 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.668 -0.903 -1.808 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.596 1.805 -5.351 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -10.677 -0.829 -4.042 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.568 -0.023 -6.091 1.00 0.00 H new ATOM 408 N TRP A 28 -5.180 0.848 1.281 1.00 0.00 N ATOM 409 CA TRP A 28 -4.548 0.684 2.584 1.00 0.00 C ATOM 410 C TRP A 28 -5.197 1.599 3.612 1.00 0.00 C ATOM 411 O TRP A 28 -5.763 2.639 3.264 1.00 0.00 O ATOM 412 CB TRP A 28 -3.050 1.029 2.521 1.00 0.00 C ATOM 413 CG TRP A 28 -2.276 0.355 1.420 1.00 0.00 C ATOM 414 CD1 TRP A 28 -2.339 0.625 0.080 1.00 0.00 C ATOM 415 CD2 TRP A 28 -1.288 -0.671 1.574 1.00 0.00 C ATOM 416 NE1 TRP A 28 -1.468 -0.187 -0.606 1.00 0.00 N ATOM 417 CE2 TRP A 28 -0.807 -0.984 0.287 1.00 0.00 C ATOM 418 CE3 TRP A 28 -0.768 -1.361 2.673 1.00 0.00 C ATOM 419 CZ2 TRP A 28 0.173 -1.949 0.075 1.00 0.00 C ATOM 420 CZ3 TRP A 28 0.204 -2.318 2.458 1.00 0.00 C ATOM 421 CH2 TRP A 28 0.667 -2.604 1.168 1.00 0.00 C ATOM 0 H TRP A 28 -5.415 1.813 1.050 1.00 0.00 H new ATOM 0 HA TRP A 28 -4.674 -0.360 2.873 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.948 2.108 2.405 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.594 0.766 3.476 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -2.980 1.368 -0.372 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -1.336 -0.194 -1.617 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -1.120 -1.149 3.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 0.531 -2.173 -0.919 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.614 -2.856 3.300 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.430 -3.357 1.034 1.00 0.00 H new ATOM 432 N HIS A 29 -4.935 1.313 4.876 1.00 0.00 N ATOM 433 CA HIS A 29 -5.302 2.220 5.952 1.00 0.00 C ATOM 434 C HIS A 29 -4.227 3.285 6.093 1.00 0.00 C ATOM 435 O HIS A 29 -3.103 3.100 5.616 1.00 0.00 O ATOM 436 CB HIS A 29 -5.434 1.470 7.278 1.00 0.00 C ATOM 437 CG HIS A 29 -6.785 0.881 7.529 1.00 0.00 C ATOM 438 ND1 HIS A 29 -6.989 -0.471 7.505 1.00 0.00 N ATOM 439 CD2 HIS A 29 -7.960 1.495 7.817 1.00 0.00 C ATOM 440 CE1 HIS A 29 -8.266 -0.666 7.769 1.00 0.00 C ATOM 441 NE2 HIS A 29 -8.899 0.503 7.968 1.00 0.00 N ATOM 0 H HIS A 29 -4.469 0.459 5.183 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.263 2.675 5.710 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -4.693 0.671 7.303 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -5.193 2.153 8.092 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -8.125 2.558 7.910 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -8.740 -1.635 7.819 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -9.887 0.630 8.189 1.00 0.00 H new ATOM 449 N SER A 30 -4.532 4.340 6.829 1.00 0.00 N ATOM 450 CA SER A 30 -3.558 5.378 7.110 1.00 0.00 C ATOM 451 C SER A 30 -2.366 4.799 7.868 1.00 0.00 C ATOM 452 O SER A 30 -1.214 5.107 7.566 1.00 0.00 O ATOM 453 CB SER A 30 -4.219 6.483 7.927 1.00 0.00 C ATOM 454 OG SER A 30 -5.622 6.289 7.984 1.00 0.00 O ATOM 0 H SER A 30 -5.450 4.500 7.244 1.00 0.00 H new ATOM 0 HA SER A 30 -3.195 5.793 6.170 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.806 6.493 8.936 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.998 7.453 7.482 1.00 0.00 H new ATOM 0 HG SER A 30 -6.030 7.006 8.513 1.00 0.00 H new ATOM 460 N ARG A 31 -2.662 3.937 8.836 1.00 0.00 N ATOM 461 CA ARG A 31 -1.628 3.306 9.645 1.00 0.00 C ATOM 462 C ARG A 31 -1.078 2.050 8.974 1.00 0.00 C ATOM 463 O ARG A 31 0.008 1.584 9.321 1.00 0.00 O ATOM 464 CB ARG A 31 -2.169 2.954 11.032 1.00 0.00 C ATOM 465 CG ARG A 31 -1.114 3.019 12.126 1.00 0.00 C ATOM 466 CD ARG A 31 -0.692 1.637 12.589 1.00 0.00 C ATOM 467 NE ARG A 31 0.648 1.653 13.166 1.00 0.00 N ATOM 468 CZ ARG A 31 1.218 0.615 13.771 1.00 0.00 C ATOM 469 NH1 ARG A 31 0.587 -0.550 13.846 1.00 0.00 N ATOM 470 NH2 ARG A 31 2.431 0.751 14.298 1.00 0.00 N ATOM 0 H ARG A 31 -3.613 3.660 9.079 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.814 4.023 9.747 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.982 3.636 11.281 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.592 1.950 11.005 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.242 3.560 11.758 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.504 3.582 12.974 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.403 1.267 13.328 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.718 0.946 11.746 1.00 0.00 H new ATOM 0 HE ARG A 31 1.184 2.519 13.101 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.342 -0.654 13.438 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.031 -1.341 14.312 1.00 0.00 H new ATOM 0 HH21 ARG A 31 2.916 1.646 14.236 1.00 0.00 H new ATOM 0 HH22 ARG A 31 2.876 -0.040 14.764 1.00 0.00 H new ATOM 484 N CYS A 32 -1.827 1.486 8.038 1.00 0.00 N ATOM 485 CA CYS A 32 -1.397 0.266 7.370 1.00 0.00 C ATOM 486 C CYS A 32 -0.371 0.563 6.276 1.00 0.00 C ATOM 487 O CYS A 32 0.469 -0.282 5.962 1.00 0.00 O ATOM 488 CB CYS A 32 -2.601 -0.487 6.811 1.00 0.00 C ATOM 489 SG CYS A 32 -3.615 -1.293 8.095 1.00 0.00 S ATOM 0 H CYS A 32 -2.728 1.849 7.726 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.908 -0.371 8.107 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -3.225 0.208 6.249 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -2.252 -1.243 6.107 1.00 0.00 H new ATOM 0 HG CYS A 32 -4.874 -1.075 7.854 1.00 0.00 H new ATOM 494 N LEU A 33 -0.348 1.799 5.795 1.00 0.00 N ATOM 495 CA LEU A 33 0.687 2.212 4.856 1.00 0.00 C ATOM 496 C LEU A 33 1.946 2.603 5.620 1.00 0.00 C ATOM 497 O LEU A 33 2.169 3.775 5.945 1.00 0.00 O ATOM 498 CB LEU A 33 0.212 3.367 3.968 1.00 0.00 C ATOM 499 CG LEU A 33 0.611 3.262 2.485 1.00 0.00 C ATOM 500 CD1 LEU A 33 1.752 4.211 2.166 1.00 0.00 C ATOM 501 CD2 LEU A 33 1.006 1.840 2.119 1.00 0.00 C ATOM 0 H LEU A 33 -1.024 2.524 6.035 1.00 0.00 H new ATOM 0 HA LEU A 33 0.912 1.371 4.200 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.874 3.430 4.032 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.609 4.299 4.369 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.260 3.542 1.892 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.017 4.120 1.113 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.443 5.235 2.375 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.616 3.960 2.781 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.282 1.799 1.065 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.854 1.530 2.729 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.165 1.171 2.300 1.00 0.00 H new ATOM 513 N LYS A 34 2.708 1.592 5.997 1.00 0.00 N ATOM 514 CA LYS A 34 3.902 1.779 6.799 1.00 0.00 C ATOM 515 C LYS A 34 5.028 0.916 6.267 1.00 0.00 C ATOM 516 O LYS A 34 4.798 0.005 5.465 1.00 0.00 O ATOM 517 CB LYS A 34 3.615 1.425 8.264 1.00 0.00 C ATOM 518 CG LYS A 34 3.623 -0.072 8.548 1.00 0.00 C ATOM 519 CD LYS A 34 2.221 -0.609 8.777 1.00 0.00 C ATOM 520 CE LYS A 34 2.035 -1.987 8.164 1.00 0.00 C ATOM 521 NZ LYS A 34 1.409 -2.935 9.125 1.00 0.00 N ATOM 0 H LYS A 34 2.516 0.620 5.756 1.00 0.00 H new ATOM 0 HA LYS A 34 4.203 2.825 6.742 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.358 1.909 8.897 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.644 1.833 8.543 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.082 -0.598 7.711 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.237 -0.272 9.426 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.021 -0.658 9.847 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.494 0.080 8.348 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.413 -1.908 7.273 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.001 -2.377 7.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.297 -3.865 8.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.015 -3.029 9.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.476 -2.575 9.410 1.00 0.00 H new ATOM 535 N CYS A 35 6.237 1.206 6.717 1.00 0.00 N ATOM 536 CA CYS A 35 7.401 0.456 6.303 1.00 0.00 C ATOM 537 C CYS A 35 7.281 -1.003 6.733 1.00 0.00 C ATOM 538 O CYS A 35 6.748 -1.307 7.807 1.00 0.00 O ATOM 539 CB CYS A 35 8.664 1.075 6.900 1.00 0.00 C ATOM 540 SG CYS A 35 10.195 0.191 6.448 1.00 0.00 S ATOM 0 H CYS A 35 6.434 1.961 7.373 1.00 0.00 H new ATOM 0 HA CYS A 35 7.466 0.493 5.216 1.00 0.00 H new ATOM 0 HB2 CYS A 35 8.742 2.111 6.570 1.00 0.00 H new ATOM 0 HB3 CYS A 35 8.572 1.092 7.986 1.00 0.00 H new ATOM 0 HG CYS A 35 11.127 1.053 6.169 1.00 0.00 H new ATOM 545 N SER A 36 7.822 -1.893 5.921 1.00 0.00 N ATOM 546 CA SER A 36 7.819 -3.311 6.234 1.00 0.00 C ATOM 547 C SER A 36 8.813 -3.623 7.352 1.00 0.00 C ATOM 548 O SER A 36 8.714 -4.660 8.013 1.00 0.00 O ATOM 549 CB SER A 36 8.151 -4.121 4.981 1.00 0.00 C ATOM 550 OG SER A 36 7.656 -3.479 3.816 1.00 0.00 O ATOM 0 H SER A 36 8.271 -1.658 5.036 1.00 0.00 H new ATOM 0 HA SER A 36 6.824 -3.588 6.582 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.231 -4.247 4.900 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.719 -5.118 5.063 1.00 0.00 H new ATOM 0 HG SER A 36 6.746 -3.791 3.632 1.00 0.00 H new ATOM 556 N SER A 37 9.768 -2.727 7.565 1.00 0.00 N ATOM 557 CA SER A 37 10.784 -2.935 8.585 1.00 0.00 C ATOM 558 C SER A 37 10.576 -2.024 9.793 1.00 0.00 C ATOM 559 O SER A 37 10.717 -2.459 10.934 1.00 0.00 O ATOM 560 CB SER A 37 12.174 -2.704 7.993 1.00 0.00 C ATOM 561 OG SER A 37 12.103 -2.478 6.592 1.00 0.00 O ATOM 0 H SER A 37 9.859 -1.853 7.047 1.00 0.00 H new ATOM 0 HA SER A 37 10.697 -3.966 8.929 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.642 -1.848 8.479 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.806 -3.569 8.193 1.00 0.00 H new ATOM 0 HG SER A 37 11.642 -1.630 6.420 1.00 0.00 H new ATOM 567 N CYS A 38 10.335 -0.745 9.542 1.00 0.00 N ATOM 568 CA CYS A 38 10.236 0.231 10.622 1.00 0.00 C ATOM 569 C CYS A 38 8.830 0.306 11.204 1.00 0.00 C ATOM 570 O CYS A 38 8.647 0.799 12.318 1.00 0.00 O ATOM 571 CB CYS A 38 10.635 1.618 10.119 1.00 0.00 C ATOM 572 SG CYS A 38 12.281 1.705 9.352 1.00 0.00 S ATOM 0 H CYS A 38 10.205 -0.359 8.607 1.00 0.00 H new ATOM 0 HA CYS A 38 10.915 -0.098 11.408 1.00 0.00 H new ATOM 0 HB2 CYS A 38 9.893 1.954 9.394 1.00 0.00 H new ATOM 0 HB3 CYS A 38 10.602 2.316 10.955 1.00 0.00 H new ATOM 0 HG CYS A 38 12.332 0.889 8.341 1.00 0.00 H new ATOM 577 N GLN A 39 7.841 0.026 10.357 1.00 0.00 N ATOM 578 CA GLN A 39 6.440 0.284 10.686 1.00 0.00 C ATOM 579 C GLN A 39 6.227 1.789 10.797 1.00 0.00 C ATOM 580 O GLN A 39 5.316 2.260 11.478 1.00 0.00 O ATOM 581 CB GLN A 39 6.015 -0.416 11.986 1.00 0.00 C ATOM 582 CG GLN A 39 5.698 -1.892 11.810 1.00 0.00 C ATOM 583 CD GLN A 39 6.908 -2.781 12.030 1.00 0.00 C ATOM 584 OE1 GLN A 39 7.375 -2.949 13.157 1.00 0.00 O ATOM 585 NE2 GLN A 39 7.418 -3.365 10.957 1.00 0.00 N ATOM 0 H GLN A 39 7.985 -0.382 9.433 1.00 0.00 H new ATOM 0 HA GLN A 39 5.818 -0.124 9.889 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.812 -0.310 12.722 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.138 0.089 12.390 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.911 -2.176 12.509 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.308 -2.058 10.806 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.002 -3.200 10.040 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.227 -3.980 11.047 1.00 0.00 H new ATOM 594 N ALA A 40 7.086 2.530 10.107 1.00 0.00 N ATOM 595 CA ALA A 40 7.031 3.968 10.086 1.00 0.00 C ATOM 596 C ALA A 40 6.063 4.424 9.023 1.00 0.00 C ATOM 597 O ALA A 40 6.013 3.864 7.925 1.00 0.00 O ATOM 598 CB ALA A 40 8.414 4.553 9.841 1.00 0.00 C ATOM 0 H ALA A 40 7.842 2.137 9.546 1.00 0.00 H new ATOM 0 HA ALA A 40 6.683 4.324 11.056 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.352 5.641 9.829 1.00 0.00 H new ATOM 0 HB2 ALA A 40 9.089 4.237 10.637 1.00 0.00 H new ATOM 0 HB3 ALA A 40 8.794 4.200 8.882 1.00 0.00 H new ATOM 604 N GLN A 41 5.207 5.332 9.416 1.00 0.00 N ATOM 605 CA GLN A 41 4.133 5.808 8.562 1.00 0.00 C ATOM 606 C GLN A 41 4.692 6.533 7.346 1.00 0.00 C ATOM 607 O GLN A 41 5.191 7.654 7.445 1.00 0.00 O ATOM 608 CB GLN A 41 3.201 6.728 9.343 1.00 0.00 C ATOM 609 CG GLN A 41 1.736 6.477 9.048 1.00 0.00 C ATOM 610 CD GLN A 41 1.276 5.146 9.601 1.00 0.00 C ATOM 611 OE1 GLN A 41 0.841 5.054 10.748 1.00 0.00 O ATOM 612 NE2 GLN A 41 1.373 4.101 8.792 1.00 0.00 N ATOM 0 H GLN A 41 5.229 5.767 10.338 1.00 0.00 H new ATOM 0 HA GLN A 41 3.564 4.945 8.216 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.379 6.595 10.410 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.441 7.765 9.107 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.135 7.278 9.479 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.572 6.500 7.971 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.739 4.220 7.847 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.081 3.178 9.114 1.00 0.00 H new ATOM 621 N LEU A 42 4.635 5.864 6.205 1.00 0.00 N ATOM 622 CA LEU A 42 5.180 6.401 4.968 1.00 0.00 C ATOM 623 C LEU A 42 4.386 7.619 4.502 1.00 0.00 C ATOM 624 O LEU A 42 4.908 8.479 3.795 1.00 0.00 O ATOM 625 CB LEU A 42 5.181 5.321 3.888 1.00 0.00 C ATOM 626 CG LEU A 42 6.373 4.366 3.934 1.00 0.00 C ATOM 627 CD1 LEU A 42 6.096 3.121 3.107 1.00 0.00 C ATOM 628 CD2 LEU A 42 7.634 5.063 3.448 1.00 0.00 C ATOM 0 H LEU A 42 4.213 4.940 6.110 1.00 0.00 H new ATOM 0 HA LEU A 42 6.205 6.720 5.154 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.264 4.739 3.976 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.159 5.804 2.911 1.00 0.00 H new ATOM 0 HG LEU A 42 6.527 4.060 4.969 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.957 2.454 3.153 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.219 2.609 3.503 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.913 3.406 2.071 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.472 4.368 3.488 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.491 5.400 2.421 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.844 5.921 4.086 1.00 0.00 H new ATOM 640 N GLY A 43 3.144 7.715 4.960 1.00 0.00 N ATOM 641 CA GLY A 43 2.317 8.859 4.632 1.00 0.00 C ATOM 642 C GLY A 43 2.427 9.962 5.668 1.00 0.00 C ATOM 643 O GLY A 43 1.684 10.946 5.622 1.00 0.00 O ATOM 0 H GLY A 43 2.694 7.019 5.554 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.609 9.249 3.657 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.277 8.542 4.550 1.00 0.00 H new ATOM 647 N ASP A 44 3.342 9.792 6.613 1.00 0.00 N ATOM 648 CA ASP A 44 3.543 10.778 7.667 1.00 0.00 C ATOM 649 C ASP A 44 4.913 11.432 7.539 1.00 0.00 C ATOM 650 O ASP A 44 5.060 12.626 7.782 1.00 0.00 O ATOM 651 CB ASP A 44 3.394 10.136 9.045 1.00 0.00 C ATOM 652 CG ASP A 44 3.443 11.153 10.168 1.00 0.00 C ATOM 653 OD1 ASP A 44 2.409 11.795 10.444 1.00 0.00 O ATOM 654 OD2 ASP A 44 4.513 11.305 10.791 1.00 0.00 O ATOM 0 H ASP A 44 3.957 8.980 6.672 1.00 0.00 H new ATOM 0 HA ASP A 44 2.778 11.547 7.558 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.449 9.595 9.090 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.188 9.403 9.188 1.00 0.00 H new ATOM 659 N ILE A 45 5.887 10.674 7.049 1.00 0.00 N ATOM 660 CA ILE A 45 7.218 11.215 6.792 1.00 0.00 C ATOM 661 C ILE A 45 7.257 11.886 5.418 1.00 0.00 C ATOM 662 O ILE A 45 8.032 11.514 4.537 1.00 0.00 O ATOM 663 CB ILE A 45 8.313 10.125 6.889 1.00 0.00 C ATOM 664 CG1 ILE A 45 7.998 8.938 5.969 1.00 0.00 C ATOM 665 CG2 ILE A 45 8.460 9.656 8.330 1.00 0.00 C ATOM 666 CD1 ILE A 45 9.123 7.928 5.870 1.00 0.00 C ATOM 0 H ILE A 45 5.781 9.685 6.822 1.00 0.00 H new ATOM 0 HA ILE A 45 7.427 11.958 7.562 1.00 0.00 H new ATOM 0 HB ILE A 45 9.256 10.561 6.560 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.102 8.436 6.333 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.770 9.314 4.971 1.00 0.00 H new ATOM 0 HG21 ILE A 45 9.233 8.889 8.386 1.00 0.00 H new ATOM 0 HG22 ILE A 45 8.740 10.500 8.961 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.513 9.242 8.676 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.827 7.118 5.203 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.015 8.415 5.477 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.337 7.523 6.859 1.00 0.00 H new ATOM 677 N GLY A 46 6.331 12.808 5.218 1.00 0.00 N ATOM 678 CA GLY A 46 6.176 13.436 3.930 1.00 0.00 C ATOM 679 C GLY A 46 5.242 12.639 3.051 1.00 0.00 C ATOM 680 O GLY A 46 4.192 12.182 3.510 1.00 0.00 O ATOM 0 H GLY A 46 5.680 13.133 5.933 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.788 14.446 4.058 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.148 13.527 3.446 1.00 0.00 H new ATOM 684 N THR A 47 5.664 12.376 1.827 1.00 0.00 N ATOM 685 CA THR A 47 4.906 11.519 0.939 1.00 0.00 C ATOM 686 C THR A 47 5.856 10.670 0.101 1.00 0.00 C ATOM 687 O THR A 47 6.394 11.137 -0.902 1.00 0.00 O ATOM 688 CB THR A 47 4.015 12.361 -0.002 1.00 0.00 C ATOM 689 OG1 THR A 47 3.257 13.316 0.756 1.00 0.00 O ATOM 690 CG2 THR A 47 3.070 11.482 -0.803 1.00 0.00 C ATOM 0 H THR A 47 6.527 12.744 1.427 1.00 0.00 H new ATOM 0 HA THR A 47 4.272 10.873 1.546 1.00 0.00 H new ATOM 0 HB THR A 47 4.670 12.885 -0.698 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.697 13.845 0.150 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.458 12.105 -1.455 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.648 10.783 -1.408 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.425 10.926 -0.122 1.00 0.00 H new ATOM 698 N SER A 48 6.010 9.407 0.478 1.00 0.00 N ATOM 699 CA SER A 48 6.846 8.480 -0.271 1.00 0.00 C ATOM 700 C SER A 48 6.504 7.041 0.085 1.00 0.00 C ATOM 701 O SER A 48 6.002 6.764 1.170 1.00 0.00 O ATOM 702 CB SER A 48 8.335 8.735 0.000 1.00 0.00 C ATOM 703 OG SER A 48 8.768 9.962 -0.560 1.00 0.00 O ATOM 0 H SER A 48 5.565 9.001 1.301 1.00 0.00 H new ATOM 0 HA SER A 48 6.650 8.644 -1.331 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.513 8.743 1.075 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.925 7.918 -0.414 1.00 0.00 H new ATOM 0 HG SER A 48 8.000 10.437 -0.940 1.00 0.00 H new ATOM 709 N SER A 49 6.848 6.133 -0.812 1.00 0.00 N ATOM 710 CA SER A 49 6.684 4.707 -0.590 1.00 0.00 C ATOM 711 C SER A 49 7.481 3.973 -1.653 1.00 0.00 C ATOM 712 O SER A 49 7.606 4.473 -2.771 1.00 0.00 O ATOM 713 CB SER A 49 5.208 4.307 -0.656 1.00 0.00 C ATOM 714 OG SER A 49 4.441 5.288 -1.334 1.00 0.00 O ATOM 0 H SER A 49 7.251 6.366 -1.720 1.00 0.00 H new ATOM 0 HA SER A 49 7.046 4.444 0.404 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.111 3.349 -1.166 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.820 4.172 0.353 1.00 0.00 H new ATOM 0 HG SER A 49 3.498 5.022 -1.335 1.00 0.00 H new ATOM 720 N TYR A 50 8.159 2.906 -1.270 1.00 0.00 N ATOM 721 CA TYR A 50 9.066 2.237 -2.188 1.00 0.00 C ATOM 722 C TYR A 50 8.648 0.800 -2.447 1.00 0.00 C ATOM 723 O TYR A 50 8.637 -0.030 -1.537 1.00 0.00 O ATOM 724 CB TYR A 50 10.481 2.277 -1.632 1.00 0.00 C ATOM 725 CG TYR A 50 11.234 3.517 -2.035 1.00 0.00 C ATOM 726 CD1 TYR A 50 11.531 3.759 -3.366 1.00 0.00 C ATOM 727 CD2 TYR A 50 11.649 4.442 -1.090 1.00 0.00 C ATOM 728 CE1 TYR A 50 12.220 4.889 -3.750 1.00 0.00 C ATOM 729 CE2 TYR A 50 12.342 5.575 -1.462 1.00 0.00 C ATOM 730 CZ TYR A 50 12.627 5.796 -2.792 1.00 0.00 C ATOM 731 OH TYR A 50 13.317 6.926 -3.159 1.00 0.00 O ATOM 0 H TYR A 50 8.101 2.487 -0.342 1.00 0.00 H new ATOM 0 HA TYR A 50 9.030 2.766 -3.140 1.00 0.00 H new ATOM 0 HB2 TYR A 50 10.440 2.220 -0.544 1.00 0.00 H new ATOM 0 HB3 TYR A 50 11.026 1.399 -1.977 1.00 0.00 H new ATOM 0 HD1 TYR A 50 11.217 3.049 -4.117 1.00 0.00 H new ATOM 0 HD2 TYR A 50 11.426 4.273 -0.047 1.00 0.00 H new ATOM 0 HE1 TYR A 50 12.440 5.064 -4.793 1.00 0.00 H new ATOM 0 HE2 TYR A 50 12.660 6.286 -0.714 1.00 0.00 H new ATOM 0 HH TYR A 50 13.044 7.198 -4.060 1.00 0.00 H new ATOM 741 N THR A 51 8.323 0.516 -3.696 1.00 0.00 N ATOM 742 CA THR A 51 7.914 -0.817 -4.093 1.00 0.00 C ATOM 743 C THR A 51 9.085 -1.606 -4.673 1.00 0.00 C ATOM 744 O THR A 51 9.438 -1.440 -5.841 1.00 0.00 O ATOM 745 CB THR A 51 6.788 -0.754 -5.140 1.00 0.00 C ATOM 746 OG1 THR A 51 6.308 0.594 -5.271 1.00 0.00 O ATOM 747 CG2 THR A 51 5.643 -1.671 -4.743 1.00 0.00 C ATOM 0 H THR A 51 8.335 1.196 -4.456 1.00 0.00 H new ATOM 0 HA THR A 51 7.552 -1.322 -3.197 1.00 0.00 H new ATOM 0 HB THR A 51 7.189 -1.085 -6.098 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.711 0.655 -6.046 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.855 -1.615 -5.494 1.00 0.00 H new ATOM 0 HG22 THR A 51 6.006 -2.697 -4.673 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.246 -1.360 -3.777 1.00 0.00 H new ATOM 755 N LYS A 52 9.648 -2.501 -3.874 1.00 0.00 N ATOM 756 CA LYS A 52 10.711 -3.375 -4.344 1.00 0.00 C ATOM 757 C LYS A 52 10.786 -4.632 -3.492 1.00 0.00 C ATOM 758 O LYS A 52 10.556 -4.580 -2.283 1.00 0.00 O ATOM 759 CB LYS A 52 12.061 -2.655 -4.345 1.00 0.00 C ATOM 760 CG LYS A 52 12.722 -2.630 -5.715 1.00 0.00 C ATOM 761 CD LYS A 52 14.091 -1.973 -5.668 1.00 0.00 C ATOM 762 CE LYS A 52 15.160 -2.864 -6.275 1.00 0.00 C ATOM 763 NZ LYS A 52 15.212 -2.741 -7.757 1.00 0.00 N ATOM 0 H LYS A 52 9.386 -2.640 -2.898 1.00 0.00 H new ATOM 0 HA LYS A 52 10.478 -3.660 -5.370 1.00 0.00 H new ATOM 0 HB2 LYS A 52 11.921 -1.632 -3.997 1.00 0.00 H new ATOM 0 HB3 LYS A 52 12.728 -3.144 -3.635 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.820 -3.649 -6.090 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.084 -2.092 -6.417 1.00 0.00 H new ATOM 0 HD2 LYS A 52 14.059 -1.025 -6.205 1.00 0.00 H new ATOM 0 HD3 LYS A 52 14.350 -1.745 -4.634 1.00 0.00 H new ATOM 0 HE2 LYS A 52 16.131 -2.603 -5.855 1.00 0.00 H new ATOM 0 HE3 LYS A 52 14.964 -3.901 -6.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.955 -3.365 -8.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.293 -3.015 -8.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 15.424 -1.756 -8.016 1.00 0.00 H new ATOM 777 N SER A 53 11.075 -5.759 -4.141 1.00 0.00 N ATOM 778 CA SER A 53 11.188 -7.053 -3.466 1.00 0.00 C ATOM 779 C SER A 53 9.856 -7.483 -2.847 1.00 0.00 C ATOM 780 O SER A 53 9.831 -8.225 -1.860 1.00 0.00 O ATOM 781 CB SER A 53 12.279 -6.993 -2.389 1.00 0.00 C ATOM 782 OG SER A 53 13.464 -6.401 -2.903 1.00 0.00 O ATOM 0 H SER A 53 11.237 -5.802 -5.147 1.00 0.00 H new ATOM 0 HA SER A 53 11.462 -7.797 -4.214 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.921 -6.419 -1.534 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.496 -7.999 -2.029 1.00 0.00 H new ATOM 0 HG SER A 53 13.662 -5.580 -2.406 1.00 0.00 H new ATOM 788 N GLY A 54 8.756 -6.983 -3.406 1.00 0.00 N ATOM 789 CA GLY A 54 7.440 -7.281 -2.876 1.00 0.00 C ATOM 790 C GLY A 54 7.207 -6.613 -1.536 1.00 0.00 C ATOM 791 O GLY A 54 6.279 -6.966 -0.802 1.00 0.00 O ATOM 0 H GLY A 54 8.756 -6.372 -4.223 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.680 -6.950 -3.584 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.327 -8.360 -2.769 1.00 0.00 H new ATOM 795 N MET A 55 8.085 -5.681 -1.200 1.00 0.00 N ATOM 796 CA MET A 55 8.036 -4.999 0.078 1.00 0.00 C ATOM 797 C MET A 55 7.737 -3.524 -0.116 1.00 0.00 C ATOM 798 O MET A 55 7.787 -3.011 -1.236 1.00 0.00 O ATOM 799 CB MET A 55 9.374 -5.155 0.802 1.00 0.00 C ATOM 800 CG MET A 55 9.335 -6.111 1.980 1.00 0.00 C ATOM 801 SD MET A 55 10.833 -6.032 2.983 1.00 0.00 S ATOM 802 CE MET A 55 12.098 -6.057 1.714 1.00 0.00 C ATOM 0 H MET A 55 8.848 -5.379 -1.805 1.00 0.00 H new ATOM 0 HA MET A 55 7.242 -5.445 0.676 1.00 0.00 H new ATOM 0 HB2 MET A 55 10.122 -5.504 0.090 1.00 0.00 H new ATOM 0 HB3 MET A 55 9.701 -4.176 1.153 1.00 0.00 H new ATOM 0 HG2 MET A 55 8.471 -5.879 2.603 1.00 0.00 H new ATOM 0 HG3 MET A 55 9.200 -7.129 1.614 1.00 0.00 H new ATOM 0 HE1 MET A 55 13.075 -6.192 2.177 1.00 0.00 H new ATOM 0 HE2 MET A 55 11.906 -6.879 1.025 1.00 0.00 H new ATOM 0 HE3 MET A 55 12.083 -5.114 1.167 1.00 0.00 H new ATOM 812 N ILE A 56 7.520 -2.836 0.992 1.00 0.00 N ATOM 813 CA ILE A 56 7.303 -1.397 0.980 1.00 0.00 C ATOM 814 C ILE A 56 8.281 -0.727 1.937 1.00 0.00 C ATOM 815 O ILE A 56 8.039 -0.668 3.143 1.00 0.00 O ATOM 816 CB ILE A 56 5.860 -1.019 1.389 1.00 0.00 C ATOM 817 CG1 ILE A 56 4.856 -2.097 0.946 1.00 0.00 C ATOM 818 CG2 ILE A 56 5.484 0.339 0.815 1.00 0.00 C ATOM 819 CD1 ILE A 56 4.420 -1.993 -0.504 1.00 0.00 C ATOM 0 H ILE A 56 7.489 -3.255 1.921 1.00 0.00 H new ATOM 0 HA ILE A 56 7.464 -1.052 -0.041 1.00 0.00 H new ATOM 0 HB ILE A 56 5.821 -0.957 2.477 1.00 0.00 H new ATOM 0 HG12 ILE A 56 5.301 -3.079 1.109 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.973 -2.037 1.583 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.466 0.590 1.112 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.170 1.097 1.194 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.547 0.304 -0.273 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.713 -2.791 -0.730 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.943 -1.028 -0.672 1.00 0.00 H new ATOM 0 HD13 ILE A 56 5.291 -2.085 -1.153 1.00 0.00 H new ATOM 830 N LEU A 57 9.423 -0.312 1.412 1.00 0.00 N ATOM 831 CA LEU A 57 10.462 0.281 2.243 1.00 0.00 C ATOM 832 C LEU A 57 10.228 1.772 2.423 1.00 0.00 C ATOM 833 O LEU A 57 9.577 2.419 1.597 1.00 0.00 O ATOM 834 CB LEU A 57 11.857 0.066 1.635 1.00 0.00 C ATOM 835 CG LEU A 57 12.446 -1.341 1.775 1.00 0.00 C ATOM 836 CD1 LEU A 57 12.013 -1.986 3.082 1.00 0.00 C ATOM 837 CD2 LEU A 57 12.055 -2.205 0.585 1.00 0.00 C ATOM 0 H LEU A 57 9.654 -0.374 0.421 1.00 0.00 H new ATOM 0 HA LEU A 57 10.416 -0.215 3.212 1.00 0.00 H new ATOM 0 HB2 LEU A 57 11.811 0.314 0.575 1.00 0.00 H new ATOM 0 HB3 LEU A 57 12.545 0.773 2.098 1.00 0.00 H new ATOM 0 HG LEU A 57 13.532 -1.255 1.791 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.445 -2.984 3.156 1.00 0.00 H new ATOM 0 HD12 LEU A 57 12.357 -1.379 3.919 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.926 -2.058 3.109 1.00 0.00 H new ATOM 0 HD21 LEU A 57 12.483 -3.201 0.702 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.969 -2.280 0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 57 12.433 -1.754 -0.332 1.00 0.00 H new ATOM 849 N CYS A 58 10.871 2.327 3.436 1.00 0.00 N ATOM 850 CA CYS A 58 10.848 3.753 3.663 1.00 0.00 C ATOM 851 C CYS A 58 11.858 4.432 2.744 1.00 0.00 C ATOM 852 O CYS A 58 12.580 3.763 1.999 1.00 0.00 O ATOM 853 CB CYS A 58 11.188 4.044 5.123 1.00 0.00 C ATOM 854 SG CYS A 58 12.663 3.151 5.714 1.00 0.00 S ATOM 0 H CYS A 58 11.419 1.802 4.117 1.00 0.00 H new ATOM 0 HA CYS A 58 9.853 4.141 3.446 1.00 0.00 H new ATOM 0 HB2 CYS A 58 11.348 5.115 5.245 1.00 0.00 H new ATOM 0 HB3 CYS A 58 10.336 3.776 5.747 1.00 0.00 H new ATOM 0 HG CYS A 58 12.450 2.711 6.919 1.00 0.00 H new ATOM 859 N ARG A 59 12.020 5.732 2.910 1.00 0.00 N ATOM 860 CA ARG A 59 13.036 6.466 2.172 1.00 0.00 C ATOM 861 C ARG A 59 14.381 6.357 2.880 1.00 0.00 C ATOM 862 O ARG A 59 15.370 6.950 2.455 1.00 0.00 O ATOM 863 CB ARG A 59 12.638 7.934 2.032 1.00 0.00 C ATOM 864 CG ARG A 59 11.726 8.215 0.848 1.00 0.00 C ATOM 865 CD ARG A 59 12.483 8.812 -0.333 1.00 0.00 C ATOM 866 NE ARG A 59 13.715 9.486 0.075 1.00 0.00 N ATOM 867 CZ ARG A 59 14.897 9.303 -0.516 1.00 0.00 C ATOM 868 NH1 ARG A 59 15.010 8.463 -1.541 1.00 0.00 N ATOM 869 NH2 ARG A 59 15.959 9.976 -0.093 1.00 0.00 N ATOM 0 H ARG A 59 11.463 6.302 3.547 1.00 0.00 H new ATOM 0 HA ARG A 59 13.122 6.031 1.176 1.00 0.00 H new ATOM 0 HB2 ARG A 59 12.139 8.254 2.947 1.00 0.00 H new ATOM 0 HB3 ARG A 59 13.541 8.537 1.934 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.242 7.289 0.537 1.00 0.00 H new ATOM 0 HG3 ARG A 59 10.936 8.900 1.155 1.00 0.00 H new ATOM 0 HD2 ARG A 59 12.723 8.021 -1.044 1.00 0.00 H new ATOM 0 HD3 ARG A 59 11.839 9.522 -0.852 1.00 0.00 H new ATOM 0 HE ARG A 59 13.668 10.136 0.860 1.00 0.00 H new ATOM 0 HH11 ARG A 59 14.191 7.956 -1.878 1.00 0.00 H new ATOM 0 HH12 ARG A 59 15.915 8.326 -1.990 1.00 0.00 H new ATOM 0 HH21 ARG A 59 15.871 10.632 0.683 1.00 0.00 H new ATOM 0 HH22 ARG A 59 16.863 9.837 -0.544 1.00 0.00 H new ATOM 883 N ASN A 60 14.409 5.590 3.958 1.00 0.00 N ATOM 884 CA ASN A 60 15.639 5.354 4.700 1.00 0.00 C ATOM 885 C ASN A 60 16.170 3.957 4.407 1.00 0.00 C ATOM 886 O ASN A 60 17.349 3.773 4.099 1.00 0.00 O ATOM 887 CB ASN A 60 15.399 5.523 6.203 1.00 0.00 C ATOM 888 CG ASN A 60 16.683 5.742 6.978 1.00 0.00 C ATOM 889 OD1 ASN A 60 17.698 6.162 6.422 1.00 0.00 O ATOM 890 ND2 ASN A 60 16.646 5.459 8.270 1.00 0.00 N ATOM 0 H ASN A 60 13.590 5.118 4.341 1.00 0.00 H new ATOM 0 HA ASN A 60 16.381 6.087 4.383 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.731 6.369 6.368 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.893 4.638 6.588 1.00 0.00 H new ATOM 0 HD21 ASN A 60 17.479 5.587 8.844 1.00 0.00 H new ATOM 0 HD22 ASN A 60 15.784 5.113 8.692 1.00 0.00 H new ATOM 897 N ASP A 61 15.284 2.975 4.507 1.00 0.00 N ATOM 898 CA ASP A 61 15.648 1.579 4.312 1.00 0.00 C ATOM 899 C ASP A 61 15.985 1.301 2.862 1.00 0.00 C ATOM 900 O ASP A 61 16.921 0.564 2.566 1.00 0.00 O ATOM 901 CB ASP A 61 14.500 0.667 4.739 1.00 0.00 C ATOM 902 CG ASP A 61 14.483 0.404 6.229 1.00 0.00 C ATOM 903 OD1 ASP A 61 15.563 0.475 6.864 1.00 0.00 O ATOM 904 OD2 ASP A 61 13.410 0.057 6.759 1.00 0.00 O ATOM 0 H ASP A 61 14.298 3.123 4.724 1.00 0.00 H new ATOM 0 HA ASP A 61 16.527 1.378 4.925 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.553 1.120 4.444 1.00 0.00 H new ATOM 0 HB3 ASP A 61 14.579 -0.282 4.208 1.00 0.00 H new ATOM 909 N TYR A 62 15.161 1.826 1.965 1.00 0.00 N ATOM 910 CA TYR A 62 15.306 1.568 0.539 1.00 0.00 C ATOM 911 C TYR A 62 16.712 1.890 0.047 1.00 0.00 C ATOM 912 O TYR A 62 17.301 1.126 -0.720 1.00 0.00 O ATOM 913 CB TYR A 62 14.288 2.382 -0.249 1.00 0.00 C ATOM 914 CG TYR A 62 14.271 2.068 -1.724 1.00 0.00 C ATOM 915 CD1 TYR A 62 13.563 0.979 -2.214 1.00 0.00 C ATOM 916 CD2 TYR A 62 14.947 2.873 -2.628 1.00 0.00 C ATOM 917 CE1 TYR A 62 13.530 0.703 -3.567 1.00 0.00 C ATOM 918 CE2 TYR A 62 14.922 2.603 -3.978 1.00 0.00 C ATOM 919 CZ TYR A 62 14.212 1.520 -4.445 1.00 0.00 C ATOM 920 OH TYR A 62 14.188 1.254 -5.794 1.00 0.00 O ATOM 0 H TYR A 62 14.380 2.437 2.202 1.00 0.00 H new ATOM 0 HA TYR A 62 15.128 0.505 0.379 1.00 0.00 H new ATOM 0 HB2 TYR A 62 13.295 2.202 0.163 1.00 0.00 H new ATOM 0 HB3 TYR A 62 14.502 3.442 -0.115 1.00 0.00 H new ATOM 0 HD1 TYR A 62 13.030 0.338 -1.527 1.00 0.00 H new ATOM 0 HD2 TYR A 62 15.502 3.726 -2.267 1.00 0.00 H new ATOM 0 HE1 TYR A 62 12.974 -0.147 -3.935 1.00 0.00 H new ATOM 0 HE2 TYR A 62 15.457 3.238 -4.668 1.00 0.00 H new ATOM 0 HH TYR A 62 14.718 1.927 -6.270 1.00 0.00 H new ATOM 930 N ILE A 63 17.224 3.044 0.453 1.00 0.00 N ATOM 931 CA ILE A 63 18.529 3.509 -0.005 1.00 0.00 C ATOM 932 C ILE A 63 19.659 2.713 0.642 1.00 0.00 C ATOM 933 O ILE A 63 20.752 2.607 0.090 1.00 0.00 O ATOM 934 CB ILE A 63 18.734 5.016 0.278 1.00 0.00 C ATOM 935 CG1 ILE A 63 17.387 5.733 0.422 1.00 0.00 C ATOM 936 CG2 ILE A 63 19.556 5.656 -0.829 1.00 0.00 C ATOM 937 CD1 ILE A 63 16.587 5.819 -0.866 1.00 0.00 C ATOM 0 H ILE A 63 16.755 3.678 1.100 1.00 0.00 H new ATOM 0 HA ILE A 63 18.554 3.352 -1.083 1.00 0.00 H new ATOM 0 HB ILE A 63 19.276 5.114 1.219 1.00 0.00 H new ATOM 0 HG12 ILE A 63 16.791 5.215 1.173 1.00 0.00 H new ATOM 0 HG13 ILE A 63 17.563 6.742 0.795 1.00 0.00 H new ATOM 0 HG21 ILE A 63 19.691 6.716 -0.615 1.00 0.00 H new ATOM 0 HG22 ILE A 63 20.530 5.170 -0.886 1.00 0.00 H new ATOM 0 HG23 ILE A 63 19.037 5.541 -1.781 1.00 0.00 H new ATOM 0 HD11 ILE A 63 15.649 6.340 -0.677 1.00 0.00 H new ATOM 0 HD12 ILE A 63 17.161 6.365 -1.615 1.00 0.00 H new ATOM 0 HD13 ILE A 63 16.377 4.814 -1.231 1.00 0.00 H new ATOM 948 N ARG A 64 19.364 2.088 1.773 1.00 0.00 N ATOM 949 CA ARG A 64 20.336 1.232 2.440 1.00 0.00 C ATOM 950 C ARG A 64 20.268 -0.178 1.864 1.00 0.00 C ATOM 951 O ARG A 64 21.240 -0.932 1.913 1.00 0.00 O ATOM 952 CB ARG A 64 20.080 1.197 3.947 1.00 0.00 C ATOM 953 CG ARG A 64 20.892 2.218 4.723 1.00 0.00 C ATOM 954 CD ARG A 64 20.780 1.998 6.221 1.00 0.00 C ATOM 955 NE ARG A 64 20.805 3.257 6.959 1.00 0.00 N ATOM 956 CZ ARG A 64 19.934 3.585 7.911 1.00 0.00 C ATOM 957 NH1 ARG A 64 18.931 2.767 8.211 1.00 0.00 N ATOM 958 NH2 ARG A 64 20.060 4.743 8.546 1.00 0.00 N ATOM 0 H ARG A 64 18.463 2.157 2.247 1.00 0.00 H new ATOM 0 HA ARG A 64 21.332 1.640 2.270 1.00 0.00 H new ATOM 0 HB2 ARG A 64 19.020 1.371 4.132 1.00 0.00 H new ATOM 0 HB3 ARG A 64 20.309 0.200 4.323 1.00 0.00 H new ATOM 0 HG2 ARG A 64 21.938 2.156 4.423 1.00 0.00 H new ATOM 0 HG3 ARG A 64 20.548 3.222 4.475 1.00 0.00 H new ATOM 0 HD2 ARG A 64 19.855 1.466 6.442 1.00 0.00 H new ATOM 0 HD3 ARG A 64 21.600 1.364 6.557 1.00 0.00 H new ATOM 0 HE ARG A 64 21.537 3.929 6.731 1.00 0.00 H new ATOM 0 HH11 ARG A 64 18.826 1.884 7.711 1.00 0.00 H new ATOM 0 HH12 ARG A 64 18.266 3.022 8.941 1.00 0.00 H new ATOM 0 HH21 ARG A 64 20.821 5.377 8.304 1.00 0.00 H new ATOM 0 HH22 ARG A 64 19.395 4.999 9.276 1.00 0.00 H new ATOM 972 N LEU A 65 19.108 -0.522 1.316 1.00 0.00 N ATOM 973 CA LEU A 65 18.887 -1.831 0.723 1.00 0.00 C ATOM 974 C LEU A 65 19.452 -1.884 -0.690 1.00 0.00 C ATOM 975 O LEU A 65 20.339 -2.684 -0.986 1.00 0.00 O ATOM 976 CB LEU A 65 17.389 -2.153 0.694 1.00 0.00 C ATOM 977 CG LEU A 65 16.968 -3.434 1.422 1.00 0.00 C ATOM 978 CD1 LEU A 65 17.880 -4.595 1.053 1.00 0.00 C ATOM 979 CD2 LEU A 65 16.965 -3.213 2.927 1.00 0.00 C ATOM 0 H LEU A 65 18.299 0.097 1.271 1.00 0.00 H new ATOM 0 HA LEU A 65 19.402 -2.573 1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 65 16.848 -1.314 1.132 1.00 0.00 H new ATOM 0 HB3 LEU A 65 17.073 -2.228 -0.346 1.00 0.00 H new ATOM 0 HG LEU A 65 15.956 -3.687 1.107 1.00 0.00 H new ATOM 0 HD11 LEU A 65 17.560 -5.492 1.583 1.00 0.00 H new ATOM 0 HD12 LEU A 65 17.829 -4.771 -0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 65 18.906 -4.355 1.333 1.00 0.00 H new ATOM 0 HD21 LEU A 65 16.664 -4.132 3.429 1.00 0.00 H new ATOM 0 HD22 LEU A 65 17.965 -2.931 3.255 1.00 0.00 H new ATOM 0 HD23 LEU A 65 16.264 -2.417 3.176 1.00 0.00 H new ATOM 991 N PHE A 66 18.920 -1.044 -1.572 1.00 0.00 N ATOM 992 CA PHE A 66 19.367 -1.037 -2.961 1.00 0.00 C ATOM 993 C PHE A 66 19.802 0.363 -3.378 1.00 0.00 C ATOM 994 O PHE A 66 20.888 0.538 -3.936 1.00 0.00 O ATOM 995 CB PHE A 66 18.242 -1.503 -3.897 1.00 0.00 C ATOM 996 CG PHE A 66 17.138 -2.266 -3.215 1.00 0.00 C ATOM 997 CD1 PHE A 66 16.056 -1.594 -2.665 1.00 0.00 C ATOM 998 CD2 PHE A 66 17.173 -3.645 -3.133 1.00 0.00 C ATOM 999 CE1 PHE A 66 15.034 -2.287 -2.047 1.00 0.00 C ATOM 1000 CE2 PHE A 66 16.152 -4.344 -2.517 1.00 0.00 C ATOM 1001 CZ PHE A 66 15.083 -3.663 -1.972 1.00 0.00 C ATOM 0 H PHE A 66 18.188 -0.367 -1.354 1.00 0.00 H new ATOM 0 HA PHE A 66 20.212 -1.721 -3.038 1.00 0.00 H new ATOM 0 HB2 PHE A 66 17.813 -0.631 -4.390 1.00 0.00 H new ATOM 0 HB3 PHE A 66 18.672 -2.131 -4.677 1.00 0.00 H new ATOM 0 HD1 PHE A 66 16.013 -0.516 -2.721 1.00 0.00 H new ATOM 0 HD2 PHE A 66 18.009 -4.183 -3.556 1.00 0.00 H new ATOM 0 HE1 PHE A 66 14.197 -1.752 -1.623 1.00 0.00 H new ATOM 0 HE2 PHE A 66 16.191 -5.422 -2.462 1.00 0.00 H new ATOM 0 HZ PHE A 66 14.286 -4.207 -1.487 1.00 0.00 H new ATOM 1011 N GLY A 67 18.993 1.355 -3.015 1.00 0.00 N ATOM 1012 CA GLY A 67 19.305 2.747 -3.307 1.00 0.00 C ATOM 1013 C GLY A 67 19.669 3.003 -4.761 1.00 0.00 C ATOM 1014 O GLY A 67 19.365 2.193 -5.644 1.00 0.00 O ATOM 0 H GLY A 67 18.114 1.217 -2.516 1.00 0.00 H new ATOM 0 HA2 GLY A 67 18.447 3.365 -3.043 1.00 0.00 H new ATOM 0 HA3 GLY A 67 20.133 3.064 -2.674 1.00 0.00 H new ATOM 1424 N GLU A 102 9.617 5.972 -6.044 1.00 0.00 N ATOM 1425 CA GLU A 102 8.984 6.527 -4.851 1.00 0.00 C ATOM 1426 C GLU A 102 7.553 6.976 -5.162 1.00 0.00 C ATOM 1427 O GLU A 102 7.010 6.651 -6.220 1.00 0.00 O ATOM 1428 CB GLU A 102 9.795 7.695 -4.283 1.00 0.00 C ATOM 1429 CG GLU A 102 10.308 8.661 -5.334 1.00 0.00 C ATOM 1430 CD GLU A 102 9.328 9.773 -5.647 1.00 0.00 C ATOM 1431 OE1 GLU A 102 8.747 10.342 -4.704 1.00 0.00 O ATOM 1432 OE2 GLU A 102 9.134 10.081 -6.843 1.00 0.00 O ATOM 0 HA GLU A 102 8.950 5.741 -4.096 1.00 0.00 H new ATOM 0 HB2 GLU A 102 9.175 8.243 -3.573 1.00 0.00 H new ATOM 0 HB3 GLU A 102 10.643 7.297 -3.725 1.00 0.00 H new ATOM 0 HG2 GLU A 102 11.246 9.097 -4.991 1.00 0.00 H new ATOM 0 HG3 GLU A 102 10.528 8.110 -6.249 1.00 0.00 H new ATOM 1439 N ARG A 103 7.011 7.826 -4.287 1.00 0.00 N ATOM 1440 CA ARG A 103 5.698 8.449 -4.479 1.00 0.00 C ATOM 1441 C ARG A 103 4.627 7.448 -4.912 1.00 0.00 C ATOM 1442 O ARG A 103 3.793 7.748 -5.766 1.00 0.00 O ATOM 1443 CB ARG A 103 5.783 9.588 -5.495 1.00 0.00 C ATOM 1444 CG ARG A 103 5.012 10.829 -5.076 1.00 0.00 C ATOM 1445 CD ARG A 103 5.829 11.704 -4.139 1.00 0.00 C ATOM 1446 NE ARG A 103 5.922 13.077 -4.623 1.00 0.00 N ATOM 1447 CZ ARG A 103 6.929 13.534 -5.362 1.00 0.00 C ATOM 1448 NH1 ARG A 103 7.979 12.762 -5.612 1.00 0.00 N ATOM 1449 NH2 ARG A 103 6.900 14.774 -5.828 1.00 0.00 N ATOM 0 H ARG A 103 7.472 8.103 -3.421 1.00 0.00 H new ATOM 0 HA ARG A 103 5.400 8.847 -3.509 1.00 0.00 H new ATOM 0 HB2 ARG A 103 6.829 9.853 -5.646 1.00 0.00 H new ATOM 0 HB3 ARG A 103 5.401 9.239 -6.454 1.00 0.00 H new ATOM 0 HG2 ARG A 103 4.735 11.402 -5.961 1.00 0.00 H new ATOM 0 HG3 ARG A 103 4.085 10.534 -4.584 1.00 0.00 H new ATOM 0 HD2 ARG A 103 5.375 11.698 -3.148 1.00 0.00 H new ATOM 0 HD3 ARG A 103 6.831 11.287 -4.033 1.00 0.00 H new ATOM 0 HE ARG A 103 5.171 13.724 -4.381 1.00 0.00 H new ATOM 0 HH11 ARG A 103 8.016 11.814 -5.237 1.00 0.00 H new ATOM 0 HH12 ARG A 103 8.749 13.116 -6.179 1.00 0.00 H new ATOM 0 HH21 ARG A 103 6.105 15.379 -5.620 1.00 0.00 H new ATOM 0 HH22 ARG A 103 7.672 15.124 -6.395 1.00 0.00 H new ATOM 1463 N LEU A 104 4.571 6.313 -4.232 1.00 0.00 N ATOM 1464 CA LEU A 104 3.519 5.332 -4.471 1.00 0.00 C ATOM 1465 C LEU A 104 2.271 5.725 -3.678 1.00 0.00 C ATOM 1466 O LEU A 104 1.243 5.053 -3.721 1.00 0.00 O ATOM 1467 CB LEU A 104 4.008 3.935 -4.067 1.00 0.00 C ATOM 1468 CG LEU A 104 3.078 2.776 -4.424 1.00 0.00 C ATOM 1469 CD1 LEU A 104 3.142 2.478 -5.911 1.00 0.00 C ATOM 1470 CD2 LEU A 104 3.444 1.543 -3.617 1.00 0.00 C ATOM 0 H LEU A 104 5.241 6.047 -3.510 1.00 0.00 H new ATOM 0 HA LEU A 104 3.267 5.311 -5.531 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.975 3.759 -4.538 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.172 3.926 -2.989 1.00 0.00 H new ATOM 0 HG LEU A 104 2.056 3.063 -4.178 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.473 1.650 -6.145 1.00 0.00 H new ATOM 0 HD12 LEU A 104 2.837 3.361 -6.472 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.162 2.209 -6.185 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.775 0.724 -3.880 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.472 1.256 -3.837 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.348 1.763 -2.554 1.00 0.00 H new ATOM 1482 N ILE A 105 2.386 6.832 -2.953 1.00 0.00 N ATOM 1483 CA ILE A 105 1.302 7.341 -2.128 1.00 0.00 C ATOM 1484 C ILE A 105 0.226 8.021 -2.968 1.00 0.00 C ATOM 1485 O ILE A 105 0.291 9.223 -3.233 1.00 0.00 O ATOM 1486 CB ILE A 105 1.821 8.348 -1.080 1.00 0.00 C ATOM 1487 CG1 ILE A 105 3.011 7.753 -0.313 1.00 0.00 C ATOM 1488 CG2 ILE A 105 0.696 8.768 -0.138 1.00 0.00 C ATOM 1489 CD1 ILE A 105 2.823 7.657 1.186 1.00 0.00 C ATOM 0 H ILE A 105 3.233 7.400 -2.922 1.00 0.00 H new ATOM 0 HA ILE A 105 0.868 6.478 -1.622 1.00 0.00 H new ATOM 0 HB ILE A 105 2.171 9.244 -1.593 1.00 0.00 H new ATOM 0 HG12 ILE A 105 3.213 6.756 -0.703 1.00 0.00 H new ATOM 0 HG13 ILE A 105 3.894 8.359 -0.515 1.00 0.00 H new ATOM 0 HG21 ILE A 105 1.081 9.478 0.594 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -0.104 9.236 -0.712 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.307 7.890 0.378 1.00 0.00 H new ATOM 0 HD11 ILE A 105 3.716 7.225 1.638 1.00 0.00 H new ATOM 0 HD12 ILE A 105 2.654 8.653 1.596 1.00 0.00 H new ATOM 0 HD13 ILE A 105 1.963 7.024 1.405 1.00 0.00 H new ATOM 1500 N THR A 106 -0.830 7.281 -3.246 1.00 0.00 N ATOM 1501 CA THR A 106 -2.002 7.838 -3.883 1.00 0.00 C ATOM 1502 C THR A 106 -3.080 8.018 -2.831 1.00 0.00 C ATOM 1503 O THR A 106 -3.359 7.098 -2.067 1.00 0.00 O ATOM 1504 CB THR A 106 -2.512 6.913 -5.001 1.00 0.00 C ATOM 1505 OG1 THR A 106 -1.401 6.255 -5.628 1.00 0.00 O ATOM 1506 CG2 THR A 106 -3.309 7.685 -6.038 1.00 0.00 C ATOM 0 H THR A 106 -0.898 6.285 -3.038 1.00 0.00 H new ATOM 0 HA THR A 106 -1.746 8.797 -4.333 1.00 0.00 H new ATOM 0 HB THR A 106 -3.174 6.171 -4.554 1.00 0.00 H new ATOM 0 HG1 THR A 106 -1.138 5.477 -5.094 1.00 0.00 H new ATOM 0 HG21 THR A 106 -3.655 7.002 -6.814 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.168 8.156 -5.560 1.00 0.00 H new ATOM 0 HG23 THR A 106 -2.677 8.452 -6.485 1.00 0.00 H new ATOM 1514 N ARG A 107 -3.553 9.234 -2.658 1.00 0.00 N ATOM 1515 CA ARG A 107 -4.481 9.512 -1.577 1.00 0.00 C ATOM 1516 C ARG A 107 -5.642 10.370 -2.048 1.00 0.00 C ATOM 1517 O ARG A 107 -5.466 11.333 -2.792 1.00 0.00 O ATOM 1518 CB ARG A 107 -3.760 10.183 -0.406 1.00 0.00 C ATOM 1519 CG ARG A 107 -3.161 11.534 -0.748 1.00 0.00 C ATOM 1520 CD ARG A 107 -3.440 12.550 0.344 1.00 0.00 C ATOM 1521 NE ARG A 107 -2.307 12.693 1.255 1.00 0.00 N ATOM 1522 CZ ARG A 107 -2.420 12.982 2.550 1.00 0.00 C ATOM 1523 NH1 ARG A 107 -3.613 13.256 3.071 1.00 0.00 N ATOM 1524 NH2 ARG A 107 -1.338 13.025 3.317 1.00 0.00 N ATOM 0 H ARG A 107 -3.316 10.037 -3.241 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.887 8.559 -1.237 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -4.462 10.306 0.418 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -2.967 9.523 -0.054 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -2.085 11.433 -0.888 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -3.573 11.889 -1.693 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -3.667 13.516 -0.108 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -4.323 12.246 0.907 1.00 0.00 H new ATOM 0 HE ARG A 107 -1.369 12.563 0.875 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -4.443 13.245 2.478 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -3.698 13.477 4.063 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -0.420 12.837 2.915 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -1.424 13.246 4.309 1.00 0.00 H new ATOM 1538 N LEU A 108 -6.822 10.033 -1.570 1.00 0.00 N ATOM 1539 CA LEU A 108 -8.020 10.789 -1.874 1.00 0.00 C ATOM 1540 C LEU A 108 -8.931 10.777 -0.664 1.00 0.00 C ATOM 1541 O LEU A 108 -9.509 9.744 -0.324 1.00 0.00 O ATOM 1542 CB LEU A 108 -8.743 10.207 -3.092 1.00 0.00 C ATOM 1543 CG LEU A 108 -9.033 11.207 -4.211 1.00 0.00 C ATOM 1544 CD1 LEU A 108 -7.881 11.250 -5.202 1.00 0.00 C ATOM 1545 CD2 LEU A 108 -10.332 10.850 -4.915 1.00 0.00 C ATOM 0 H LEU A 108 -6.978 9.229 -0.961 1.00 0.00 H new ATOM 0 HA LEU A 108 -7.742 11.815 -2.115 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -8.141 9.394 -3.499 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -9.686 9.771 -2.762 1.00 0.00 H new ATOM 0 HG LEU A 108 -9.140 12.198 -3.770 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -8.106 11.968 -5.991 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -6.969 11.552 -4.687 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -7.741 10.262 -5.640 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -10.525 11.571 -5.709 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -10.251 9.851 -5.343 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -11.152 10.872 -4.198 1.00 0.00 H new ATOM 1557 N GLU A 109 -8.961 11.893 0.045 1.00 0.00 N ATOM 1558 CA GLU A 109 -9.734 11.998 1.271 1.00 0.00 C ATOM 1559 C GLU A 109 -11.221 12.080 0.954 1.00 0.00 C ATOM 1560 O GLU A 109 -11.608 12.449 -0.156 1.00 0.00 O ATOM 1561 CB GLU A 109 -9.290 13.224 2.075 1.00 0.00 C ATOM 1562 CG GLU A 109 -7.998 13.008 2.848 1.00 0.00 C ATOM 1563 CD GLU A 109 -7.046 14.183 2.745 1.00 0.00 C ATOM 1564 OE1 GLU A 109 -7.275 15.202 3.431 1.00 0.00 O ATOM 1565 OE2 GLU A 109 -6.057 14.089 1.988 1.00 0.00 O ATOM 0 H GLU A 109 -8.457 12.742 -0.209 1.00 0.00 H new ATOM 0 HA GLU A 109 -9.557 11.106 1.872 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -9.161 14.067 1.396 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -10.081 13.496 2.774 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -8.234 12.829 3.897 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -7.503 12.112 2.475 1.00 0.00 H new