USER MOD reduce.3.24.130724 H: found=0, std=0, add=390, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 384 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 8 CYS SG : rot 152:sc= 0.602 USER MOD Set 1.2: A 32 HIS : no HD1:sc= -1.71 K(o=-1.1,f=-4) USER MOD Single : A 11 CYS SG : rot 180:sc= -1.76! USER MOD Single : A 12 SER OG : rot 180:sc= -0.0128 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 162:sc= 0.14 (180deg=0.0679) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.043 X(o=-0.043,f=-0.21) USER MOD Single : A 29 SER OG : rot 71:sc= 1.28 USER MOD Single : A 30 GLN : amide:sc= -0.369 X(o=-0.37,f=-0.52) USER MOD Single : A 33 SER OG : rot 93:sc= 0 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.365 K(o=-0.37,f=-4.9!) USER MOD Single : A 38 CYS SG : rot 180:sc= 0.903 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot -133:sc= -1.97 USER MOD Single : A 42 SER OG : rot -56:sc= 0.966 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 42:sc= 0.281 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 54 ASN : amide:sc= -0.0459 X(o=-0.046,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 180:sc= -1.93 USER MOD Single : A 60 GLN : amide:sc= 0.945 K(o=0.94,f=-0.4) USER MOD Single : A 61 LYS NZ :NH3+ -164:sc= -0.0502 (180deg=-0.329) USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -2.397 -16.051 6.642 1.00 0.00 N ATOM 60 CA GLY A 7 -3.479 -15.657 7.515 1.00 0.00 C ATOM 61 C GLY A 7 -3.689 -14.145 7.463 1.00 0.00 C ATOM 62 O GLY A 7 -3.089 -13.443 6.657 1.00 0.00 O ATOM 0 HA2 GLY A 7 -4.396 -16.167 7.220 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.259 -15.964 8.537 1.00 0.00 H new ATOM 66 N CYS A 8 -4.601 -13.628 8.289 1.00 0.00 N ATOM 67 CA CYS A 8 -4.891 -12.195 8.326 1.00 0.00 C ATOM 68 C CYS A 8 -3.633 -11.456 8.759 1.00 0.00 C ATOM 69 O CYS A 8 -3.255 -11.653 9.905 1.00 0.00 O ATOM 70 CB CYS A 8 -6.029 -11.882 9.332 1.00 0.00 C ATOM 71 SG CYS A 8 -6.712 -10.243 9.026 1.00 0.00 S ATOM 0 H CYS A 8 -5.153 -14.183 8.943 1.00 0.00 H new ATOM 0 HA CYS A 8 -5.209 -11.875 7.334 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.815 -12.632 9.245 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -5.647 -11.938 10.351 1.00 0.00 H new ATOM 0 HG CYS A 8 -7.953 -10.212 9.410 1.00 0.00 H new ATOM 76 N VAL A 9 -3.059 -10.551 7.967 1.00 0.00 N ATOM 77 CA VAL A 9 -1.852 -9.807 8.360 1.00 0.00 C ATOM 78 C VAL A 9 -2.055 -9.089 9.714 1.00 0.00 C ATOM 79 O VAL A 9 -1.114 -8.866 10.475 1.00 0.00 O ATOM 80 CB VAL A 9 -1.474 -8.822 7.228 1.00 0.00 C ATOM 81 CG1 VAL A 9 -0.181 -8.057 7.529 1.00 0.00 C ATOM 82 CG2 VAL A 9 -1.284 -9.553 5.892 1.00 0.00 C ATOM 0 H VAL A 9 -3.411 -10.310 7.040 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.025 -10.503 8.504 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.304 -8.118 7.162 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.041 -7.379 6.705 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.303 -7.483 8.448 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.640 -8.764 7.649 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.019 -8.833 5.118 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.487 -10.290 5.990 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.211 -10.056 5.618 1.00 0.00 H new ATOM 92 N ALA A 10 -3.313 -8.781 10.043 1.00 0.00 N ATOM 93 CA ALA A 10 -3.744 -8.104 11.254 1.00 0.00 C ATOM 94 C ALA A 10 -4.042 -9.025 12.452 1.00 0.00 C ATOM 95 O ALA A 10 -4.528 -8.520 13.463 1.00 0.00 O ATOM 96 CB ALA A 10 -4.969 -7.257 10.878 1.00 0.00 C ATOM 0 H ALA A 10 -4.096 -9.014 9.432 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.916 -7.493 11.612 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.330 -6.728 11.760 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.691 -6.535 10.110 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.757 -7.906 10.497 1.00 0.00 H new ATOM 102 N CYS A 11 -3.939 -10.357 12.347 1.00 0.00 N ATOM 103 CA CYS A 11 -4.198 -11.270 13.480 1.00 0.00 C ATOM 104 C CYS A 11 -3.558 -12.660 13.337 1.00 0.00 C ATOM 105 O CYS A 11 -3.731 -13.491 14.229 1.00 0.00 O ATOM 106 CB CYS A 11 -5.708 -11.480 13.724 1.00 0.00 C ATOM 107 SG CYS A 11 -6.495 -12.685 12.646 1.00 0.00 S ATOM 0 H CYS A 11 -3.676 -10.833 11.484 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.733 -10.761 14.324 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.853 -11.792 14.758 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -6.216 -10.523 13.605 1.00 0.00 H new ATOM 0 HG CYS A 11 -7.757 -12.776 12.945 1.00 0.00 H new ATOM 112 N SER A 12 -2.890 -12.936 12.218 1.00 0.00 N ATOM 113 CA SER A 12 -2.215 -14.164 11.811 1.00 0.00 C ATOM 114 C SER A 12 -3.131 -15.396 11.763 1.00 0.00 C ATOM 115 O SER A 12 -2.641 -16.510 11.572 1.00 0.00 O ATOM 116 CB SER A 12 -0.889 -14.382 12.566 1.00 0.00 C ATOM 117 OG SER A 12 -1.023 -14.270 13.970 1.00 0.00 O ATOM 0 H SER A 12 -2.800 -12.223 11.495 1.00 0.00 H new ATOM 0 HA SER A 12 -1.934 -14.020 10.768 1.00 0.00 H new ATOM 0 HB2 SER A 12 -0.498 -15.370 12.322 1.00 0.00 H new ATOM 0 HB3 SER A 12 -0.156 -13.654 12.218 1.00 0.00 H new ATOM 0 HG SER A 12 -0.152 -14.419 14.395 1.00 0.00 H new ATOM 123 N LYS A 13 -4.458 -15.248 11.939 1.00 0.00 N ATOM 124 CA LYS A 13 -5.342 -16.411 11.883 1.00 0.00 C ATOM 125 C LYS A 13 -5.379 -16.860 10.438 1.00 0.00 C ATOM 126 O LYS A 13 -5.489 -15.998 9.563 1.00 0.00 O ATOM 127 CB LYS A 13 -6.770 -16.155 12.360 1.00 0.00 C ATOM 128 CG LYS A 13 -6.845 -16.149 13.894 1.00 0.00 C ATOM 129 CD LYS A 13 -7.098 -17.564 14.430 1.00 0.00 C ATOM 130 CE LYS A 13 -6.956 -17.701 15.948 1.00 0.00 C ATOM 131 NZ LYS A 13 -7.840 -16.791 16.702 1.00 0.00 N ATOM 0 H LYS A 13 -4.924 -14.358 12.116 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.942 -17.162 12.564 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.121 -15.199 11.971 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.433 -16.924 11.963 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.915 -15.759 14.307 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.643 -15.483 14.221 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.103 -17.874 14.142 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.402 -18.251 13.949 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.175 -18.729 16.235 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.921 -17.506 16.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.696 -16.933 17.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.616 -15.806 16.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.832 -16.992 16.461 1.00 0.00 H new ATOM 145 N PRO A 14 -5.298 -18.166 10.184 1.00 0.00 N ATOM 146 CA PRO A 14 -5.302 -18.710 8.847 1.00 0.00 C ATOM 147 C PRO A 14 -6.653 -18.420 8.212 1.00 0.00 C ATOM 148 O PRO A 14 -7.702 -18.730 8.791 1.00 0.00 O ATOM 149 CB PRO A 14 -5.005 -20.203 9.009 1.00 0.00 C ATOM 150 CG PRO A 14 -5.471 -20.516 10.430 1.00 0.00 C ATOM 151 CD PRO A 14 -5.207 -19.214 11.180 1.00 0.00 C ATOM 0 HA PRO A 14 -4.556 -18.270 8.184 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.542 -20.800 8.272 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -3.944 -20.416 8.880 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.526 -20.789 10.457 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.915 -21.349 10.861 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -5.938 -19.064 11.975 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.223 -19.224 11.649 1.00 0.00 H new ATOM 159 N ILE A 15 -6.642 -17.734 7.070 1.00 0.00 N ATOM 160 CA ILE A 15 -7.860 -17.420 6.332 1.00 0.00 C ATOM 161 C ILE A 15 -8.441 -18.783 5.904 1.00 0.00 C ATOM 162 O ILE A 15 -7.718 -19.785 5.827 1.00 0.00 O ATOM 163 CB ILE A 15 -7.552 -16.451 5.156 1.00 0.00 C ATOM 164 CG1 ILE A 15 -6.853 -15.135 5.609 1.00 0.00 C ATOM 165 CG2 ILE A 15 -8.824 -16.086 4.365 1.00 0.00 C ATOM 166 CD1 ILE A 15 -7.539 -14.331 6.701 1.00 0.00 C ATOM 0 H ILE A 15 -5.790 -17.382 6.633 1.00 0.00 H new ATOM 0 HA ILE A 15 -8.600 -16.884 6.927 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.863 -17.001 4.515 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.849 -15.385 5.952 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.740 -14.493 4.735 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -8.565 -15.407 3.552 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.269 -16.992 3.953 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.539 -15.600 5.029 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.950 -13.441 6.922 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.532 -14.034 6.365 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.627 -14.940 7.600 1.00 0.00 H new ATOM 178 N SER A 16 -9.760 -18.872 5.735 1.00 0.00 N ATOM 179 CA SER A 16 -10.386 -20.123 5.324 1.00 0.00 C ATOM 180 C SER A 16 -10.018 -20.413 3.855 1.00 0.00 C ATOM 181 O SER A 16 -9.488 -19.542 3.155 1.00 0.00 O ATOM 182 CB SER A 16 -11.885 -20.043 5.638 1.00 0.00 C ATOM 183 OG SER A 16 -12.593 -21.236 5.388 1.00 0.00 O ATOM 0 H SER A 16 -10.409 -18.098 5.876 1.00 0.00 H new ATOM 0 HA SER A 16 -10.017 -20.985 5.880 1.00 0.00 H new ATOM 0 HB2 SER A 16 -12.011 -19.772 6.686 1.00 0.00 H new ATOM 0 HB3 SER A 16 -12.326 -19.241 5.046 1.00 0.00 H new ATOM 0 HG SER A 16 -13.538 -21.109 5.613 1.00 0.00 H new ATOM 246 N LYS A 22 -15.074 -14.461 3.027 1.00 0.00 N ATOM 247 CA LYS A 22 -15.146 -13.049 2.668 1.00 0.00 C ATOM 248 C LYS A 22 -13.974 -12.339 3.334 1.00 0.00 C ATOM 249 O LYS A 22 -13.869 -12.305 4.570 1.00 0.00 O ATOM 250 CB LYS A 22 -16.529 -12.396 2.867 1.00 0.00 C ATOM 251 CG LYS A 22 -17.377 -12.717 4.102 1.00 0.00 C ATOM 252 CD LYS A 22 -16.928 -12.021 5.382 1.00 0.00 C ATOM 253 CE LYS A 22 -16.197 -13.043 6.245 1.00 0.00 C ATOM 254 NZ LYS A 22 -15.287 -12.381 7.184 1.00 0.00 N ATOM 0 HA LYS A 22 -15.042 -12.945 1.588 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -16.379 -11.317 2.853 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -17.130 -12.645 1.992 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -18.411 -12.440 3.898 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -17.362 -13.794 4.266 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -16.273 -11.181 5.149 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -17.787 -11.616 5.917 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -16.921 -13.643 6.796 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -15.635 -13.726 5.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -15.037 -13.040 7.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -14.424 -12.088 6.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -15.754 -11.544 7.588 1.00 0.00 H new ATOM 268 N PHE A 23 -12.998 -11.943 2.529 1.00 0.00 N ATOM 269 CA PHE A 23 -11.804 -11.228 2.934 1.00 0.00 C ATOM 270 C PHE A 23 -11.443 -10.274 1.796 1.00 0.00 C ATOM 271 O PHE A 23 -12.000 -10.359 0.697 1.00 0.00 O ATOM 272 CB PHE A 23 -10.661 -12.168 3.364 1.00 0.00 C ATOM 273 CG PHE A 23 -9.846 -12.793 2.251 1.00 0.00 C ATOM 274 CD1 PHE A 23 -10.290 -13.972 1.629 1.00 0.00 C ATOM 275 CD2 PHE A 23 -8.619 -12.223 1.859 1.00 0.00 C ATOM 276 CE1 PHE A 23 -9.529 -14.569 0.614 1.00 0.00 C ATOM 277 CE2 PHE A 23 -7.852 -12.822 0.844 1.00 0.00 C ATOM 278 CZ PHE A 23 -8.306 -13.997 0.223 1.00 0.00 C ATOM 0 H PHE A 23 -13.023 -12.123 1.525 1.00 0.00 H new ATOM 0 HA PHE A 23 -11.991 -10.647 3.837 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -9.984 -11.609 4.010 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -11.087 -12.970 3.967 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -11.223 -14.421 1.935 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -8.266 -11.323 2.340 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -9.883 -15.469 0.132 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -6.914 -12.379 0.542 1.00 0.00 H new ATOM 0 HZ PHE A 23 -7.716 -14.460 -0.554 1.00 0.00 H new ATOM 288 N ILE A 24 -10.573 -9.327 2.095 1.00 0.00 N ATOM 289 CA ILE A 24 -10.069 -8.300 1.213 1.00 0.00 C ATOM 290 C ILE A 24 -8.637 -8.686 0.888 1.00 0.00 C ATOM 291 O ILE A 24 -7.827 -8.914 1.792 1.00 0.00 O ATOM 292 CB ILE A 24 -10.185 -6.940 1.930 1.00 0.00 C ATOM 293 CG1 ILE A 24 -11.684 -6.578 2.017 1.00 0.00 C ATOM 294 CG2 ILE A 24 -9.369 -5.832 1.242 1.00 0.00 C ATOM 295 CD1 ILE A 24 -11.966 -5.511 3.057 1.00 0.00 C ATOM 0 H ILE A 24 -10.173 -9.254 3.031 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.630 -8.210 0.282 1.00 0.00 H new ATOM 0 HB ILE A 24 -9.759 -7.025 2.930 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -12.027 -6.230 1.043 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -12.257 -7.474 2.256 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -9.489 -4.898 1.791 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.316 -6.112 1.227 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.724 -5.700 0.220 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.034 -5.295 3.076 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -11.650 -5.866 4.038 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.417 -4.604 2.806 1.00 0.00 H new ATOM 307 N CYS A 25 -8.381 -8.833 -0.405 1.00 0.00 N ATOM 308 CA CYS A 25 -7.088 -9.168 -0.961 1.00 0.00 C ATOM 309 C CYS A 25 -6.614 -7.858 -1.567 1.00 0.00 C ATOM 310 O CYS A 25 -7.191 -7.384 -2.555 1.00 0.00 O ATOM 311 CB CYS A 25 -7.207 -10.275 -2.008 1.00 0.00 C ATOM 312 SG CYS A 25 -5.543 -10.627 -2.629 1.00 0.00 S ATOM 0 H CYS A 25 -9.100 -8.716 -1.119 1.00 0.00 H new ATOM 0 HA CYS A 25 -6.390 -9.559 -0.221 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -7.649 -11.170 -1.570 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -7.861 -9.963 -2.822 1.00 0.00 H new ATOM 0 HG CYS A 25 -5.604 -11.568 -3.523 1.00 0.00 H new ATOM 318 N PHE A 26 -5.645 -7.214 -0.930 1.00 0.00 N ATOM 319 CA PHE A 26 -5.110 -5.949 -1.395 1.00 0.00 C ATOM 320 C PHE A 26 -3.604 -5.999 -1.210 1.00 0.00 C ATOM 321 O PHE A 26 -3.159 -6.509 -0.186 1.00 0.00 O ATOM 322 CB PHE A 26 -5.771 -4.813 -0.604 1.00 0.00 C ATOM 323 CG PHE A 26 -5.559 -3.474 -1.263 1.00 0.00 C ATOM 324 CD1 PHE A 26 -6.237 -3.179 -2.462 1.00 0.00 C ATOM 325 CD2 PHE A 26 -4.634 -2.558 -0.731 1.00 0.00 C ATOM 326 CE1 PHE A 26 -5.978 -1.976 -3.136 1.00 0.00 C ATOM 327 CE2 PHE A 26 -4.368 -1.362 -1.414 1.00 0.00 C ATOM 328 CZ PHE A 26 -5.040 -1.071 -2.616 1.00 0.00 C ATOM 0 H PHE A 26 -5.209 -7.558 -0.074 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.321 -5.768 -2.449 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -6.840 -5.008 -0.513 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -5.364 -4.789 0.407 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.956 -3.879 -2.862 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.130 -2.774 0.200 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.500 -1.747 -4.053 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.646 -0.663 -1.017 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.833 -0.149 -3.139 1.00 0.00 H new ATOM 338 N GLN A 27 -2.830 -5.475 -2.171 1.00 0.00 N ATOM 339 CA GLN A 27 -1.362 -5.486 -2.122 1.00 0.00 C ATOM 340 C GLN A 27 -0.867 -6.905 -1.781 1.00 0.00 C ATOM 341 O GLN A 27 -0.012 -7.094 -0.914 1.00 0.00 O ATOM 342 CB GLN A 27 -0.866 -4.392 -1.154 1.00 0.00 C ATOM 343 CG GLN A 27 -1.148 -2.971 -1.673 1.00 0.00 C ATOM 344 CD GLN A 27 -0.204 -2.560 -2.799 1.00 0.00 C ATOM 345 OE1 GLN A 27 1.012 -2.693 -2.681 1.00 0.00 O ATOM 346 NE2 GLN A 27 -0.708 -2.054 -3.905 1.00 0.00 N ATOM 0 H GLN A 27 -3.207 -5.030 -3.008 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.936 -5.242 -3.095 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -1.348 -4.523 -0.185 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.206 -4.511 -0.995 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -2.177 -2.915 -2.028 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.056 -2.262 -0.850 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.717 -1.944 -4.002 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -0.089 -1.772 -4.665 1.00 0.00 H new ATOM 355 N ASP A 28 -1.485 -7.900 -2.437 1.00 0.00 N ATOM 356 CA ASP A 28 -1.252 -9.343 -2.319 1.00 0.00 C ATOM 357 C ASP A 28 -1.090 -9.752 -0.856 1.00 0.00 C ATOM 358 O ASP A 28 -0.188 -10.507 -0.490 1.00 0.00 O ATOM 359 CB ASP A 28 -0.104 -9.796 -3.236 1.00 0.00 C ATOM 360 CG ASP A 28 -0.498 -9.803 -4.709 1.00 0.00 C ATOM 361 OD1 ASP A 28 -1.326 -8.968 -5.144 1.00 0.00 O ATOM 362 OD2 ASP A 28 0.081 -10.609 -5.471 1.00 0.00 O ATOM 0 H ASP A 28 -2.218 -7.697 -3.117 1.00 0.00 H new ATOM 0 HA ASP A 28 -2.132 -9.878 -2.675 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.751 -9.135 -3.096 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.216 -10.796 -2.944 1.00 0.00 H new ATOM 367 N SER A 29 -1.954 -9.203 -0.001 1.00 0.00 N ATOM 368 CA SER A 29 -1.992 -9.427 1.427 1.00 0.00 C ATOM 369 C SER A 29 -3.441 -9.676 1.846 1.00 0.00 C ATOM 370 O SER A 29 -4.382 -9.156 1.237 1.00 0.00 O ATOM 371 CB SER A 29 -1.349 -8.224 2.113 1.00 0.00 C ATOM 372 OG SER A 29 -0.013 -8.060 1.661 1.00 0.00 O ATOM 0 H SER A 29 -2.680 -8.558 -0.312 1.00 0.00 H new ATOM 0 HA SER A 29 -1.426 -10.309 1.726 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.926 -7.324 1.901 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.361 -8.363 3.194 1.00 0.00 H new ATOM 0 HG SER A 29 -0.018 -7.748 0.732 1.00 0.00 H new ATOM 378 N GLN A 30 -3.598 -10.476 2.899 1.00 0.00 N ATOM 379 CA GLN A 30 -4.871 -10.899 3.450 1.00 0.00 C ATOM 380 C GLN A 30 -5.381 -10.057 4.610 1.00 0.00 C ATOM 381 O GLN A 30 -4.801 -10.060 5.701 1.00 0.00 O ATOM 382 CB GLN A 30 -4.704 -12.323 4.009 1.00 0.00 C ATOM 383 CG GLN A 30 -4.713 -13.471 3.004 1.00 0.00 C ATOM 384 CD GLN A 30 -3.790 -13.298 1.802 1.00 0.00 C ATOM 385 OE1 GLN A 30 -4.273 -13.181 0.683 1.00 0.00 O ATOM 386 NE2 GLN A 30 -2.482 -13.311 1.978 1.00 0.00 N ATOM 0 H GLN A 30 -2.803 -10.860 3.409 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.586 -10.811 2.632 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -3.764 -12.362 4.559 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.502 -12.499 4.730 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.436 -14.388 3.524 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.732 -13.605 2.641 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.095 -13.409 2.916 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -1.859 -13.223 1.176 1.00 0.00 H new ATOM 395 N TRP A 31 -6.542 -9.437 4.431 1.00 0.00 N ATOM 396 CA TRP A 31 -7.180 -8.658 5.473 1.00 0.00 C ATOM 397 C TRP A 31 -8.636 -9.104 5.546 1.00 0.00 C ATOM 398 O TRP A 31 -9.354 -9.160 4.558 1.00 0.00 O ATOM 399 CB TRP A 31 -7.026 -7.150 5.254 1.00 0.00 C ATOM 400 CG TRP A 31 -5.726 -6.575 5.745 1.00 0.00 C ATOM 401 CD1 TRP A 31 -5.367 -6.369 7.040 1.00 0.00 C ATOM 402 CD2 TRP A 31 -4.598 -6.112 4.949 1.00 0.00 C ATOM 403 NE1 TRP A 31 -4.100 -5.820 7.089 1.00 0.00 N ATOM 404 CE2 TRP A 31 -3.576 -5.649 5.830 1.00 0.00 C ATOM 405 CE3 TRP A 31 -4.346 -6.030 3.565 1.00 0.00 C ATOM 406 CZ2 TRP A 31 -2.350 -5.148 5.368 1.00 0.00 C ATOM 407 CZ3 TRP A 31 -3.137 -5.490 3.092 1.00 0.00 C ATOM 408 CH2 TRP A 31 -2.132 -5.075 3.985 1.00 0.00 C ATOM 0 H TRP A 31 -7.064 -9.464 3.555 1.00 0.00 H new ATOM 0 HA TRP A 31 -6.693 -8.840 6.431 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -7.122 -6.939 4.189 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -7.847 -6.638 5.756 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -5.979 -6.599 7.900 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -3.615 -5.573 7.951 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.086 -6.384 2.863 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -1.589 -4.825 6.063 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -2.978 -5.392 2.028 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -1.193 -4.700 3.605 1.00 0.00 H new ATOM 419 N HIS A 32 -9.064 -9.544 6.721 1.00 0.00 N ATOM 420 CA HIS A 32 -10.433 -9.954 6.981 1.00 0.00 C ATOM 421 C HIS A 32 -11.280 -8.693 6.855 1.00 0.00 C ATOM 422 O HIS A 32 -10.818 -7.648 7.322 1.00 0.00 O ATOM 423 CB HIS A 32 -10.543 -10.422 8.437 1.00 0.00 C ATOM 424 CG HIS A 32 -10.012 -11.797 8.728 1.00 0.00 C ATOM 425 ND1 HIS A 32 -9.228 -12.132 9.840 1.00 0.00 N ATOM 426 CD2 HIS A 32 -10.336 -12.932 8.052 1.00 0.00 C ATOM 427 CE1 HIS A 32 -9.139 -13.477 9.825 1.00 0.00 C ATOM 428 NE2 HIS A 32 -9.799 -13.965 8.780 1.00 0.00 N ATOM 0 H HIS A 32 -8.455 -9.627 7.535 1.00 0.00 H new ATOM 0 HA HIS A 32 -10.744 -10.748 6.302 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -10.014 -9.708 9.068 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -11.592 -10.390 8.730 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -10.899 -13.005 7.133 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -8.609 -14.071 10.555 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -9.892 -14.955 8.553 1.00 0.00 H new ATOM 436 N SER A 33 -12.511 -8.823 6.352 1.00 0.00 N ATOM 437 CA SER A 33 -13.465 -7.742 6.170 1.00 0.00 C ATOM 438 C SER A 33 -13.525 -6.828 7.415 1.00 0.00 C ATOM 439 O SER A 33 -13.229 -5.642 7.324 1.00 0.00 O ATOM 440 CB SER A 33 -14.811 -8.365 5.722 1.00 0.00 C ATOM 441 OG SER A 33 -14.630 -9.020 4.481 1.00 0.00 O ATOM 0 H SER A 33 -12.879 -9.725 6.050 1.00 0.00 H new ATOM 0 HA SER A 33 -13.156 -7.058 5.379 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.166 -9.072 6.472 1.00 0.00 H new ATOM 0 HB3 SER A 33 -15.572 -7.590 5.630 1.00 0.00 H new ATOM 0 HG SER A 33 -14.413 -9.963 4.637 1.00 0.00 H new ATOM 447 N GLU A 34 -13.775 -7.375 8.608 1.00 0.00 N ATOM 448 CA GLU A 34 -13.870 -6.599 9.853 1.00 0.00 C ATOM 449 C GLU A 34 -12.564 -5.949 10.342 1.00 0.00 C ATOM 450 O GLU A 34 -12.602 -5.072 11.206 1.00 0.00 O ATOM 451 CB GLU A 34 -14.282 -7.566 10.972 1.00 0.00 C ATOM 452 CG GLU A 34 -15.724 -8.076 10.896 1.00 0.00 C ATOM 453 CD GLU A 34 -15.816 -9.472 11.509 1.00 0.00 C ATOM 454 OE1 GLU A 34 -15.280 -9.734 12.612 1.00 0.00 O ATOM 455 OE2 GLU A 34 -16.279 -10.393 10.797 1.00 0.00 O ATOM 0 H GLU A 34 -13.919 -8.376 8.741 1.00 0.00 H new ATOM 0 HA GLU A 34 -14.574 -5.796 9.635 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -13.609 -8.423 10.955 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -14.140 -7.068 11.931 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -16.389 -7.393 11.425 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -16.055 -8.103 9.858 1.00 0.00 H new ATOM 462 N CYS A 35 -11.407 -6.397 9.852 1.00 0.00 N ATOM 463 CA CYS A 35 -10.096 -5.910 10.272 1.00 0.00 C ATOM 464 C CYS A 35 -9.355 -5.081 9.208 1.00 0.00 C ATOM 465 O CYS A 35 -8.127 -4.999 9.267 1.00 0.00 O ATOM 466 CB CYS A 35 -9.316 -7.092 10.897 1.00 0.00 C ATOM 467 SG CYS A 35 -10.059 -7.597 12.468 1.00 0.00 S ATOM 0 H CYS A 35 -11.356 -7.123 9.138 1.00 0.00 H new ATOM 0 HA CYS A 35 -10.214 -5.155 11.049 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -9.309 -7.935 10.206 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -8.277 -6.803 11.058 1.00 0.00 H new ATOM 0 HG CYS A 35 -9.385 -8.591 12.967 1.00 0.00 H new ATOM 472 N PHE A 36 -10.033 -4.568 8.179 1.00 0.00 N ATOM 473 CA PHE A 36 -9.426 -3.739 7.136 1.00 0.00 C ATOM 474 C PHE A 36 -9.777 -2.318 7.588 1.00 0.00 C ATOM 475 O PHE A 36 -10.931 -1.900 7.443 1.00 0.00 O ATOM 476 CB PHE A 36 -10.000 -4.147 5.775 1.00 0.00 C ATOM 477 CG PHE A 36 -9.397 -3.429 4.585 1.00 0.00 C ATOM 478 CD1 PHE A 36 -8.107 -3.764 4.129 1.00 0.00 C ATOM 479 CD2 PHE A 36 -10.133 -2.432 3.917 1.00 0.00 C ATOM 480 CE1 PHE A 36 -7.571 -3.128 2.998 1.00 0.00 C ATOM 481 CE2 PHE A 36 -9.588 -1.780 2.797 1.00 0.00 C ATOM 482 CZ PHE A 36 -8.309 -2.133 2.335 1.00 0.00 C ATOM 0 H PHE A 36 -11.033 -4.719 8.045 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.348 -3.840 7.010 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -9.857 -5.220 5.644 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -11.075 -3.967 5.782 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.529 -4.512 4.651 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -11.120 -2.167 4.266 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.591 -3.404 2.637 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -10.152 -1.009 2.293 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.893 -1.639 1.469 1.00 0.00 H new ATOM 492 N ASN A 37 -8.812 -1.613 8.198 1.00 0.00 N ATOM 493 CA ASN A 37 -9.025 -0.273 8.744 1.00 0.00 C ATOM 494 C ASN A 37 -7.886 0.743 8.525 1.00 0.00 C ATOM 495 O ASN A 37 -6.748 0.358 8.270 1.00 0.00 O ATOM 496 CB ASN A 37 -9.179 -0.456 10.265 1.00 0.00 C ATOM 497 CG ASN A 37 -10.350 -1.336 10.693 1.00 0.00 C ATOM 498 OD1 ASN A 37 -11.493 -0.908 10.669 1.00 0.00 O ATOM 499 ND2 ASN A 37 -10.122 -2.559 11.138 1.00 0.00 N ATOM 0 H ASN A 37 -7.862 -1.961 8.324 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.889 0.141 8.224 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.258 -0.886 10.659 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.295 0.526 10.724 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -10.898 -3.138 11.458 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.170 -2.924 11.161 1.00 0.00 H new ATOM 506 N CYS A 38 -8.173 2.045 8.735 1.00 0.00 N ATOM 507 CA CYS A 38 -7.233 3.173 8.605 1.00 0.00 C ATOM 508 C CYS A 38 -6.072 2.969 9.580 1.00 0.00 C ATOM 509 O CYS A 38 -6.316 3.160 10.771 1.00 0.00 O ATOM 510 CB CYS A 38 -7.907 4.544 8.944 1.00 0.00 C ATOM 511 SG CYS A 38 -6.808 5.941 8.607 1.00 0.00 S ATOM 0 H CYS A 38 -9.106 2.349 9.011 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.893 3.198 7.570 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -8.821 4.653 8.360 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -8.197 4.556 9.995 1.00 0.00 H new ATOM 0 HG CYS A 38 -7.415 7.052 8.903 1.00 0.00 H new ATOM 516 N GLY A 39 -4.839 2.745 9.118 1.00 0.00 N ATOM 517 CA GLY A 39 -3.672 2.529 9.988 1.00 0.00 C ATOM 518 C GLY A 39 -3.435 3.608 11.061 1.00 0.00 C ATOM 519 O GLY A 39 -2.845 3.329 12.107 1.00 0.00 O ATOM 0 H GLY A 39 -4.617 2.708 8.123 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.785 1.566 10.485 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.782 2.462 9.362 1.00 0.00 H new ATOM 523 N LYS A 40 -3.920 4.834 10.826 1.00 0.00 N ATOM 524 CA LYS A 40 -3.799 5.989 11.725 1.00 0.00 C ATOM 525 C LYS A 40 -4.875 6.071 12.813 1.00 0.00 C ATOM 526 O LYS A 40 -4.694 6.806 13.779 1.00 0.00 O ATOM 527 CB LYS A 40 -3.887 7.285 10.896 1.00 0.00 C ATOM 528 CG LYS A 40 -2.547 7.645 10.250 1.00 0.00 C ATOM 529 CD LYS A 40 -2.663 8.843 9.297 1.00 0.00 C ATOM 530 CE LYS A 40 -1.321 9.423 8.843 1.00 0.00 C ATOM 531 NZ LYS A 40 -0.690 10.319 9.831 1.00 0.00 N ATOM 0 H LYS A 40 -4.428 5.057 9.970 1.00 0.00 H new ATOM 0 HA LYS A 40 -2.839 5.866 12.227 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.644 7.168 10.120 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.212 8.104 11.537 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.820 7.873 11.029 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.167 6.783 9.702 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.229 8.538 8.417 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.237 9.629 9.789 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.638 8.603 8.623 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.470 9.972 7.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.213 10.672 9.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.322 11.122 10.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.515 9.796 10.713 1.00 0.00 H new ATOM 545 N CYS A 41 -6.021 5.401 12.644 1.00 0.00 N ATOM 546 CA CYS A 41 -7.106 5.473 13.620 1.00 0.00 C ATOM 547 C CYS A 41 -7.910 4.193 13.922 1.00 0.00 C ATOM 548 O CYS A 41 -8.562 4.143 14.961 1.00 0.00 O ATOM 549 CB CYS A 41 -8.087 6.510 13.081 1.00 0.00 C ATOM 550 SG CYS A 41 -9.362 5.817 12.039 1.00 0.00 S ATOM 0 H CYS A 41 -6.217 4.804 11.840 1.00 0.00 H new ATOM 0 HA CYS A 41 -6.621 5.703 14.569 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -8.555 7.025 13.920 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.535 7.260 12.515 1.00 0.00 H new ATOM 0 HG CYS A 41 -9.477 6.532 10.960 1.00 0.00 H new ATOM 555 N SER A 42 -7.987 3.236 12.989 1.00 0.00 N ATOM 556 CA SER A 42 -8.707 1.962 13.070 1.00 0.00 C ATOM 557 C SER A 42 -10.158 1.981 12.542 1.00 0.00 C ATOM 558 O SER A 42 -10.943 1.094 12.870 1.00 0.00 O ATOM 559 CB SER A 42 -8.540 1.255 14.423 1.00 0.00 C ATOM 560 OG SER A 42 -9.462 1.634 15.423 1.00 0.00 O ATOM 0 H SER A 42 -7.512 3.341 12.092 1.00 0.00 H new ATOM 0 HA SER A 42 -8.197 1.330 12.343 1.00 0.00 H new ATOM 0 HB2 SER A 42 -8.624 0.180 14.265 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.532 1.446 14.791 1.00 0.00 H new ATOM 0 HG SER A 42 -9.420 2.604 15.556 1.00 0.00 H new ATOM 566 N VAL A 43 -10.553 2.978 11.741 1.00 0.00 N ATOM 567 CA VAL A 43 -11.906 3.045 11.171 1.00 0.00 C ATOM 568 C VAL A 43 -11.947 2.139 9.942 1.00 0.00 C ATOM 569 O VAL A 43 -10.970 2.142 9.183 1.00 0.00 O ATOM 570 CB VAL A 43 -12.325 4.487 10.810 1.00 0.00 C ATOM 571 CG1 VAL A 43 -11.561 5.076 9.611 1.00 0.00 C ATOM 572 CG2 VAL A 43 -13.821 4.610 10.497 1.00 0.00 C ATOM 0 H VAL A 43 -9.950 3.755 11.471 1.00 0.00 H new ATOM 0 HA VAL A 43 -12.622 2.706 11.919 1.00 0.00 H new ATOM 0 HB VAL A 43 -12.076 5.051 11.709 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -11.911 6.090 9.419 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.494 5.096 9.834 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -11.736 4.459 8.730 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -14.057 5.645 10.250 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -14.070 3.970 9.651 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -14.401 4.303 11.367 1.00 0.00 H new ATOM 582 N SER A 44 -13.071 1.464 9.705 1.00 0.00 N ATOM 583 CA SER A 44 -13.257 0.574 8.569 1.00 0.00 C ATOM 584 C SER A 44 -13.072 1.334 7.252 1.00 0.00 C ATOM 585 O SER A 44 -13.502 2.489 7.111 1.00 0.00 O ATOM 586 CB SER A 44 -14.644 -0.075 8.673 1.00 0.00 C ATOM 587 OG SER A 44 -14.847 -1.047 7.663 1.00 0.00 O ATOM 0 H SER A 44 -13.890 1.524 10.310 1.00 0.00 H new ATOM 0 HA SER A 44 -12.504 -0.214 8.582 1.00 0.00 H new ATOM 0 HB2 SER A 44 -14.755 -0.540 9.653 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.412 0.695 8.596 1.00 0.00 H new ATOM 0 HG SER A 44 -15.739 -1.440 7.762 1.00 0.00 H new ATOM 593 N LEU A 45 -12.427 0.672 6.289 1.00 0.00 N ATOM 594 CA LEU A 45 -12.158 1.186 4.944 1.00 0.00 C ATOM 595 C LEU A 45 -12.799 0.289 3.876 1.00 0.00 C ATOM 596 O LEU A 45 -12.710 0.613 2.696 1.00 0.00 O ATOM 597 CB LEU A 45 -10.642 1.355 4.699 1.00 0.00 C ATOM 598 CG LEU A 45 -9.947 2.447 5.536 1.00 0.00 C ATOM 599 CD1 LEU A 45 -8.453 2.543 5.198 1.00 0.00 C ATOM 600 CD2 LEU A 45 -10.547 3.843 5.319 1.00 0.00 C ATOM 0 H LEU A 45 -12.064 -0.271 6.429 1.00 0.00 H new ATOM 0 HA LEU A 45 -12.613 2.174 4.868 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.152 0.402 4.900 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.486 1.578 3.643 1.00 0.00 H new ATOM 0 HG LEU A 45 -10.098 2.145 6.572 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.992 3.322 5.805 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.971 1.588 5.406 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.334 2.787 4.142 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -10.015 4.568 5.936 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -10.452 4.121 4.269 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -11.601 3.834 5.598 1.00 0.00 H new ATOM 612 N VAL A 46 -13.468 -0.801 4.272 1.00 0.00 N ATOM 613 CA VAL A 46 -14.135 -1.770 3.405 1.00 0.00 C ATOM 614 C VAL A 46 -15.036 -1.053 2.398 1.00 0.00 C ATOM 615 O VAL A 46 -15.997 -0.387 2.794 1.00 0.00 O ATOM 616 CB VAL A 46 -14.933 -2.775 4.266 1.00 0.00 C ATOM 617 CG1 VAL A 46 -15.610 -3.861 3.415 1.00 0.00 C ATOM 618 CG2 VAL A 46 -14.042 -3.460 5.308 1.00 0.00 C ATOM 0 H VAL A 46 -13.561 -1.040 5.259 1.00 0.00 H new ATOM 0 HA VAL A 46 -13.387 -2.325 2.838 1.00 0.00 H new ATOM 0 HB VAL A 46 -15.701 -2.187 4.769 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -16.158 -4.543 4.065 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -16.301 -3.395 2.713 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -14.852 -4.416 2.863 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -14.639 -4.159 5.894 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -13.241 -4.001 4.803 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -13.611 -2.708 5.969 1.00 0.00 H new ATOM 628 N GLY A 47 -14.726 -1.165 1.106 1.00 0.00 N ATOM 629 CA GLY A 47 -15.486 -0.559 0.026 1.00 0.00 C ATOM 630 C GLY A 47 -15.340 0.956 -0.106 1.00 0.00 C ATOM 631 O GLY A 47 -15.910 1.513 -1.045 1.00 0.00 O ATOM 0 H GLY A 47 -13.918 -1.694 0.779 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -15.181 -1.020 -0.914 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -16.541 -0.795 0.169 1.00 0.00 H new ATOM 635 N LYS A 48 -14.620 1.655 0.773 1.00 0.00 N ATOM 636 CA LYS A 48 -14.474 3.113 0.685 1.00 0.00 C ATOM 637 C LYS A 48 -13.269 3.470 -0.180 1.00 0.00 C ATOM 638 O LYS A 48 -12.408 2.626 -0.422 1.00 0.00 O ATOM 639 CB LYS A 48 -14.398 3.730 2.093 1.00 0.00 C ATOM 640 CG LYS A 48 -15.521 3.179 2.991 1.00 0.00 C ATOM 641 CD LYS A 48 -15.917 4.106 4.142 1.00 0.00 C ATOM 642 CE LYS A 48 -16.794 3.279 5.087 1.00 0.00 C ATOM 643 NZ LYS A 48 -17.649 4.091 5.970 1.00 0.00 N ATOM 0 H LYS A 48 -14.125 1.234 1.559 1.00 0.00 H new ATOM 0 HA LYS A 48 -15.353 3.539 0.201 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -13.428 3.511 2.540 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -14.480 4.815 2.025 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -16.400 2.986 2.376 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -15.204 2.221 3.404 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -15.034 4.479 4.660 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -16.460 4.975 3.770 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -17.425 2.617 4.495 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -16.153 2.645 5.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -18.213 3.465 6.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -17.053 4.705 6.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -18.286 4.677 5.393 1.00 0.00 H new ATOM 657 N GLY A 49 -13.199 4.707 -0.662 1.00 0.00 N ATOM 658 CA GLY A 49 -12.108 5.191 -1.493 1.00 0.00 C ATOM 659 C GLY A 49 -10.975 5.638 -0.583 1.00 0.00 C ATOM 660 O GLY A 49 -10.934 6.808 -0.195 1.00 0.00 O ATOM 0 H GLY A 49 -13.913 5.412 -0.481 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -11.766 4.405 -2.166 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.444 6.020 -2.116 1.00 0.00 H new ATOM 664 N PHE A 50 -10.107 4.710 -0.181 1.00 0.00 N ATOM 665 CA PHE A 50 -8.965 4.984 0.685 1.00 0.00 C ATOM 666 C PHE A 50 -7.773 5.455 -0.161 1.00 0.00 C ATOM 667 O PHE A 50 -7.850 5.500 -1.391 1.00 0.00 O ATOM 668 CB PHE A 50 -8.662 3.768 1.572 1.00 0.00 C ATOM 669 CG PHE A 50 -8.318 2.492 0.840 1.00 0.00 C ATOM 670 CD1 PHE A 50 -6.979 2.208 0.508 1.00 0.00 C ATOM 671 CD2 PHE A 50 -9.335 1.581 0.498 1.00 0.00 C ATOM 672 CE1 PHE A 50 -6.671 1.022 -0.177 1.00 0.00 C ATOM 673 CE2 PHE A 50 -9.024 0.409 -0.209 1.00 0.00 C ATOM 674 CZ PHE A 50 -7.691 0.132 -0.550 1.00 0.00 C ATOM 0 H PHE A 50 -10.181 3.730 -0.454 1.00 0.00 H new ATOM 0 HA PHE A 50 -9.196 5.799 1.371 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -7.833 4.021 2.233 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -9.528 3.579 2.206 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -6.194 2.898 0.779 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -10.357 1.784 0.780 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -5.644 0.793 -0.418 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -9.809 -0.278 -0.490 1.00 0.00 H new ATOM 0 HZ PHE A 50 -7.450 -0.766 -1.099 1.00 0.00 H new ATOM 684 N LEU A 51 -6.701 5.906 0.495 1.00 0.00 N ATOM 685 CA LEU A 51 -5.489 6.420 -0.136 1.00 0.00 C ATOM 686 C LEU A 51 -4.308 5.539 0.269 1.00 0.00 C ATOM 687 O LEU A 51 -4.054 5.362 1.465 1.00 0.00 O ATOM 688 CB LEU A 51 -5.224 7.871 0.307 1.00 0.00 C ATOM 689 CG LEU A 51 -6.110 8.987 -0.281 1.00 0.00 C ATOM 690 CD1 LEU A 51 -7.600 8.838 0.039 1.00 0.00 C ATOM 691 CD2 LEU A 51 -5.668 10.329 0.315 1.00 0.00 C ATOM 0 H LEU A 51 -6.654 5.923 1.514 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.615 6.405 -1.219 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.317 7.910 1.392 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.187 8.108 0.067 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.988 8.928 -1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.153 9.663 -0.411 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.966 7.893 -0.364 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.743 8.852 1.119 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.286 11.129 -0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.779 10.300 1.399 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.624 10.513 0.062 1.00 0.00 H new ATOM 703 N THR A 52 -3.568 5.041 -0.719 1.00 0.00 N ATOM 704 CA THR A 52 -2.403 4.176 -0.586 1.00 0.00 C ATOM 705 C THR A 52 -1.122 5.009 -0.621 1.00 0.00 C ATOM 706 O THR A 52 -0.860 5.647 -1.643 1.00 0.00 O ATOM 707 CB THR A 52 -2.401 3.203 -1.784 1.00 0.00 C ATOM 708 OG1 THR A 52 -2.711 3.883 -2.994 1.00 0.00 O ATOM 709 CG2 THR A 52 -3.448 2.109 -1.619 1.00 0.00 C ATOM 0 H THR A 52 -3.782 5.245 -1.695 1.00 0.00 H new ATOM 0 HA THR A 52 -2.445 3.636 0.360 1.00 0.00 H new ATOM 0 HB THR A 52 -1.400 2.772 -1.821 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.237 4.740 -3.018 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.417 1.443 -2.481 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.240 1.540 -0.713 1.00 0.00 H new ATOM 0 HG23 THR A 52 -4.437 2.560 -1.544 1.00 0.00 H new ATOM 717 N GLN A 53 -0.433 5.185 0.507 1.00 0.00 N ATOM 718 CA GLN A 53 0.825 5.926 0.538 1.00 0.00 C ATOM 719 C GLN A 53 1.748 5.258 1.559 1.00 0.00 C ATOM 720 O GLN A 53 1.251 4.696 2.534 1.00 0.00 O ATOM 721 CB GLN A 53 0.579 7.417 0.817 1.00 0.00 C ATOM 722 CG GLN A 53 1.704 8.297 0.254 1.00 0.00 C ATOM 723 CD GLN A 53 1.552 9.777 0.610 1.00 0.00 C ATOM 724 OE1 GLN A 53 0.479 10.243 0.994 1.00 0.00 O ATOM 725 NE2 GLN A 53 2.622 10.542 0.513 1.00 0.00 N ATOM 0 H GLN A 53 -0.728 4.822 1.414 1.00 0.00 H new ATOM 0 HA GLN A 53 1.316 5.895 -0.434 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.372 7.717 0.376 1.00 0.00 H new ATOM 0 HB3 GLN A 53 0.497 7.577 1.892 1.00 0.00 H new ATOM 0 HG2 GLN A 53 2.661 7.936 0.631 1.00 0.00 H new ATOM 0 HG3 GLN A 53 1.729 8.192 -0.831 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.506 10.145 0.194 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.566 11.531 0.757 1.00 0.00 H new ATOM 734 N ASN A 54 3.070 5.412 1.413 1.00 0.00 N ATOM 735 CA ASN A 54 4.093 4.847 2.307 1.00 0.00 C ATOM 736 C ASN A 54 3.814 3.391 2.659 1.00 0.00 C ATOM 737 O ASN A 54 3.901 2.972 3.818 1.00 0.00 O ATOM 738 CB ASN A 54 4.298 5.694 3.566 1.00 0.00 C ATOM 739 CG ASN A 54 4.972 7.007 3.259 1.00 0.00 C ATOM 740 OD1 ASN A 54 6.178 7.160 3.386 1.00 0.00 O ATOM 741 ND2 ASN A 54 4.206 7.970 2.794 1.00 0.00 N ATOM 0 H ASN A 54 3.472 5.950 0.645 1.00 0.00 H new ATOM 0 HA ASN A 54 5.028 4.870 1.747 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.333 5.883 4.037 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.900 5.137 4.284 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.616 8.866 2.531 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.202 7.821 2.696 1.00 0.00 H new ATOM 748 N LYS A 55 3.484 2.625 1.621 1.00 0.00 N ATOM 749 CA LYS A 55 3.172 1.207 1.653 1.00 0.00 C ATOM 750 C LYS A 55 2.155 0.808 2.730 1.00 0.00 C ATOM 751 O LYS A 55 2.125 -0.355 3.143 1.00 0.00 O ATOM 752 CB LYS A 55 4.451 0.356 1.508 1.00 0.00 C ATOM 753 CG LYS A 55 5.714 0.841 2.253 1.00 0.00 C ATOM 754 CD LYS A 55 6.955 0.040 1.849 1.00 0.00 C ATOM 755 CE LYS A 55 6.812 -1.465 2.073 1.00 0.00 C ATOM 756 NZ LYS A 55 6.730 -1.834 3.497 1.00 0.00 N ATOM 0 H LYS A 55 3.425 3.008 0.677 1.00 0.00 H new ATOM 0 HA LYS A 55 2.594 0.957 0.763 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.225 -0.654 1.850 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.691 0.287 0.447 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.878 1.897 2.041 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.558 0.753 3.328 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.168 0.223 0.796 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.812 0.403 2.416 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.917 -1.819 1.560 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.662 -1.976 1.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.634 -2.866 3.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.594 -1.524 3.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.904 -1.372 3.928 1.00 0.00 H new ATOM 770 N GLU A 56 1.303 1.739 3.157 1.00 0.00 N ATOM 771 CA GLU A 56 0.242 1.544 4.139 1.00 0.00 C ATOM 772 C GLU A 56 -1.077 2.050 3.515 1.00 0.00 C ATOM 773 O GLU A 56 -1.094 2.523 2.368 1.00 0.00 O ATOM 774 CB GLU A 56 0.626 2.158 5.498 1.00 0.00 C ATOM 775 CG GLU A 56 1.599 1.230 6.248 1.00 0.00 C ATOM 776 CD GLU A 56 2.162 1.829 7.540 1.00 0.00 C ATOM 777 OE1 GLU A 56 1.386 2.180 8.458 1.00 0.00 O ATOM 778 OE2 GLU A 56 3.411 1.921 7.643 1.00 0.00 O ATOM 0 H GLU A 56 1.337 2.697 2.809 1.00 0.00 H new ATOM 0 HA GLU A 56 0.092 0.491 4.377 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.087 3.134 5.346 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.270 2.319 6.098 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.086 0.298 6.485 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.427 0.978 5.586 1.00 0.00 H new ATOM 785 N ILE A 57 -2.189 1.921 4.243 1.00 0.00 N ATOM 786 CA ILE A 57 -3.536 2.293 3.813 1.00 0.00 C ATOM 787 C ILE A 57 -4.182 3.262 4.809 1.00 0.00 C ATOM 788 O ILE A 57 -4.340 2.970 6.003 1.00 0.00 O ATOM 789 CB ILE A 57 -4.359 1.003 3.547 1.00 0.00 C ATOM 790 CG1 ILE A 57 -4.313 -0.016 4.721 1.00 0.00 C ATOM 791 CG2 ILE A 57 -3.868 0.363 2.233 1.00 0.00 C ATOM 792 CD1 ILE A 57 -4.905 -1.388 4.383 1.00 0.00 C ATOM 0 H ILE A 57 -2.173 1.538 5.188 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.499 2.844 2.873 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.407 1.289 3.459 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -3.277 -0.147 5.034 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.853 0.401 5.571 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -4.438 -0.544 2.035 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.007 1.066 1.412 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.810 0.114 2.322 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.834 -2.039 5.254 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.951 -1.273 4.100 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.351 -1.829 3.554 1.00 0.00 H new ATOM 804 N PHE A 58 -4.606 4.433 4.314 1.00 0.00 N ATOM 805 CA PHE A 58 -5.208 5.470 5.144 1.00 0.00 C ATOM 806 C PHE A 58 -6.511 6.023 4.570 1.00 0.00 C ATOM 807 O PHE A 58 -6.745 6.015 3.365 1.00 0.00 O ATOM 808 CB PHE A 58 -4.177 6.594 5.331 1.00 0.00 C ATOM 809 CG PHE A 58 -2.831 6.110 5.851 1.00 0.00 C ATOM 810 CD1 PHE A 58 -2.719 5.560 7.144 1.00 0.00 C ATOM 811 CD2 PHE A 58 -1.698 6.140 5.014 1.00 0.00 C ATOM 812 CE1 PHE A 58 -1.484 5.058 7.593 1.00 0.00 C ATOM 813 CE2 PHE A 58 -0.463 5.651 5.465 1.00 0.00 C ATOM 814 CZ PHE A 58 -0.358 5.110 6.756 1.00 0.00 C ATOM 0 H PHE A 58 -4.539 4.682 3.327 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.476 5.025 6.102 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.027 7.100 4.377 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.580 7.333 6.024 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.583 5.524 7.791 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.781 6.543 4.016 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.402 4.632 8.582 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.404 5.691 4.822 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.591 4.733 7.106 1.00 0.00 H new ATOM 824 N CYS A 59 -7.383 6.496 5.468 1.00 0.00 N ATOM 825 CA CYS A 59 -8.672 7.087 5.095 1.00 0.00 C ATOM 826 C CYS A 59 -8.351 8.457 4.460 1.00 0.00 C ATOM 827 O CYS A 59 -7.307 9.019 4.787 1.00 0.00 O ATOM 828 CB CYS A 59 -9.577 7.320 6.341 1.00 0.00 C ATOM 829 SG CYS A 59 -9.398 8.944 7.080 1.00 0.00 S ATOM 0 H CYS A 59 -7.214 6.479 6.474 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.205 6.419 4.418 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -10.618 7.176 6.053 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -9.347 6.563 7.091 1.00 0.00 H new ATOM 0 HG CYS A 59 -10.190 9.044 8.106 1.00 0.00 H new ATOM 834 N GLN A 60 -9.277 9.078 3.729 1.00 0.00 N ATOM 835 CA GLN A 60 -9.099 10.394 3.102 1.00 0.00 C ATOM 836 C GLN A 60 -8.661 11.439 4.139 1.00 0.00 C ATOM 837 O GLN A 60 -7.581 12.007 4.023 1.00 0.00 O ATOM 838 CB GLN A 60 -10.413 10.818 2.434 1.00 0.00 C ATOM 839 CG GLN A 60 -10.763 9.972 1.204 1.00 0.00 C ATOM 840 CD GLN A 60 -12.253 10.001 0.879 1.00 0.00 C ATOM 841 OE1 GLN A 60 -12.995 10.887 1.301 1.00 0.00 O ATOM 842 NE2 GLN A 60 -12.721 8.998 0.162 1.00 0.00 N ATOM 0 H GLN A 60 -10.196 8.672 3.550 1.00 0.00 H new ATOM 0 HA GLN A 60 -8.315 10.325 2.348 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -11.223 10.745 3.160 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -10.342 11.865 2.139 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -10.200 10.336 0.345 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -10.452 8.941 1.376 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -12.087 8.274 -0.178 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -13.717 8.946 -0.053 1.00 0.00 H new ATOM 851 N LYS A 61 -9.435 11.615 5.219 1.00 0.00 N ATOM 852 CA LYS A 61 -9.156 12.573 6.303 1.00 0.00 C ATOM 853 C LYS A 61 -7.774 12.391 6.937 1.00 0.00 C ATOM 854 O LYS A 61 -7.209 13.311 7.515 1.00 0.00 O ATOM 855 CB LYS A 61 -10.272 12.434 7.360 1.00 0.00 C ATOM 856 CG LYS A 61 -10.164 13.413 8.534 1.00 0.00 C ATOM 857 CD LYS A 61 -11.277 13.241 9.582 1.00 0.00 C ATOM 858 CE LYS A 61 -12.620 13.903 9.253 1.00 0.00 C ATOM 859 NZ LYS A 61 -12.482 15.345 8.972 1.00 0.00 N ATOM 0 H LYS A 61 -10.293 11.084 5.369 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.144 13.577 5.879 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.236 12.577 6.872 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.260 11.416 7.750 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.196 13.281 9.018 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.192 14.433 8.150 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -11.447 12.175 9.730 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -10.920 13.642 10.531 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -13.064 13.408 8.389 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -13.306 13.762 10.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -13.416 15.800 9.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -11.848 15.776 9.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -12.085 15.477 8.020 1.00 0.00 H new ATOM 873 N CYS A 62 -7.260 11.167 6.879 1.00 0.00 N ATOM 874 CA CYS A 62 -5.977 10.783 7.434 1.00 0.00 C ATOM 875 C CYS A 62 -4.848 10.783 6.395 1.00 0.00 C ATOM 876 O CYS A 62 -3.694 10.848 6.800 1.00 0.00 O ATOM 877 CB CYS A 62 -6.152 9.470 8.228 1.00 0.00 C ATOM 878 SG CYS A 62 -6.623 9.870 9.901 1.00 0.00 S ATOM 0 H CYS A 62 -7.746 10.392 6.428 1.00 0.00 H new ATOM 0 HA CYS A 62 -5.637 11.540 8.140 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -6.913 8.845 7.761 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -5.223 8.899 8.223 1.00 0.00 H new ATOM 0 HG CYS A 62 -6.777 8.774 10.582 1.00 0.00 H new ATOM 883 N GLY A 63 -5.158 10.731 5.098 1.00 0.00 N ATOM 884 CA GLY A 63 -4.212 10.743 3.987 1.00 0.00 C ATOM 885 C GLY A 63 -4.083 12.133 3.358 1.00 0.00 C ATOM 886 O GLY A 63 -3.303 12.302 2.420 1.00 0.00 O ATOM 0 H GLY A 63 -6.126 10.677 4.781 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.235 10.413 4.339 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.535 10.030 3.228 1.00 0.00 H new ATOM 890 N SER A 64 -4.870 13.108 3.826 1.00 0.00 N ATOM 891 CA SER A 64 -4.851 14.488 3.357 1.00 0.00 C ATOM 892 C SER A 64 -3.521 15.121 3.800 1.00 0.00 C ATOM 893 O SER A 64 -2.709 14.471 4.470 1.00 0.00 O ATOM 894 CB SER A 64 -6.079 15.225 3.918 1.00 0.00 C ATOM 895 OG SER A 64 -6.222 16.497 3.321 1.00 0.00 O ATOM 0 H SER A 64 -5.556 12.948 4.563 1.00 0.00 H new ATOM 0 HA SER A 64 -4.910 14.550 2.270 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.976 14.632 3.739 1.00 0.00 H new ATOM 0 HB3 SER A 64 -5.980 15.335 4.998 1.00 0.00 H new ATOM 0 HG SER A 64 -7.010 16.946 3.692 1.00 0.00 H new