USER MOD reduce.3.24.130724 H: found=0, std=0, add=384, rem=0, adj=13 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 NoAdj-H: A 29 HIS HE2 : A 29 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD Set 1.1: A 11 TYR OH : rot 180:sc= 0.961 USER MOD Set 1.2: A 23 LYS NZ :NH3+ -166:sc= 1.32 (180deg=-0.1) USER MOD Single : A 7 MET CE :methyl -150:sc= -2.35! (180deg=-2.73!) USER MOD Single : A 12 GLN : amide:sc= -0.0457 K(o=-0.046,f=0.95) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0221 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.463 K(o=-0.46,f=-3.9!) USER MOD Single : A 32 ASN : amide:sc= -0.0176 K(o=-0.018,f=-1.2) USER MOD Single : A 33 THR OG1 : rot -150:sc= 0.0885 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 40 SER OG : rot 180:sc=-0.00154 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= -0.649 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 7 -12.261 -0.299 -9.368 1.00 0.00 N ATOM 2 CA MET A 7 -12.470 1.145 -9.149 1.00 0.00 C ATOM 3 C MET A 7 -11.274 1.769 -8.440 1.00 0.00 C ATOM 4 O MET A 7 -10.682 2.724 -8.936 1.00 0.00 O ATOM 5 CB MET A 7 -13.734 1.371 -8.317 1.00 0.00 C ATOM 6 CG MET A 7 -13.967 2.828 -7.953 1.00 0.00 C ATOM 7 SD MET A 7 -15.419 3.066 -6.907 1.00 0.00 S ATOM 8 CE MET A 7 -14.993 2.052 -5.492 1.00 0.00 C ATOM 0 HA MET A 7 -12.583 1.622 -10.123 1.00 0.00 H new ATOM 0 HB2 MET A 7 -14.596 1.001 -8.872 1.00 0.00 H new ATOM 0 HB3 MET A 7 -13.667 0.782 -7.402 1.00 0.00 H new ATOM 0 HG2 MET A 7 -13.087 3.214 -7.438 1.00 0.00 H new ATOM 0 HG3 MET A 7 -14.084 3.411 -8.866 1.00 0.00 H new ATOM 0 HE1 MET A 7 -15.903 1.659 -5.038 1.00 0.00 H new ATOM 0 HE2 MET A 7 -14.362 1.224 -5.815 1.00 0.00 H new ATOM 0 HE3 MET A 7 -14.454 2.655 -4.761 1.00 0.00 H new ATOM 17 N GLU A 8 -10.923 1.230 -7.279 1.00 0.00 N ATOM 18 CA GLU A 8 -9.849 1.796 -6.475 1.00 0.00 C ATOM 19 C GLU A 8 -8.512 1.141 -6.798 1.00 0.00 C ATOM 20 O GLU A 8 -8.458 0.064 -7.394 1.00 0.00 O ATOM 21 CB GLU A 8 -10.162 1.636 -4.989 1.00 0.00 C ATOM 22 CG GLU A 8 -11.434 2.347 -4.557 1.00 0.00 C ATOM 23 CD GLU A 8 -11.745 2.141 -3.090 1.00 0.00 C ATOM 24 OE1 GLU A 8 -11.254 2.927 -2.256 1.00 0.00 O ATOM 25 OE2 GLU A 8 -12.492 1.197 -2.767 1.00 0.00 O ATOM 0 H GLU A 8 -11.365 0.404 -6.875 1.00 0.00 H new ATOM 0 HA GLU A 8 -9.774 2.857 -6.715 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.252 0.575 -4.757 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.325 2.020 -4.406 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.336 3.414 -4.758 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -12.270 1.985 -5.156 1.00 0.00 H new ATOM 32 N ARG A 9 -7.437 1.805 -6.411 1.00 0.00 N ATOM 33 CA ARG A 9 -6.098 1.281 -6.607 1.00 0.00 C ATOM 34 C ARG A 9 -5.395 1.172 -5.264 1.00 0.00 C ATOM 35 O ARG A 9 -5.361 2.132 -4.494 1.00 0.00 O ATOM 36 CB ARG A 9 -5.298 2.189 -7.543 1.00 0.00 C ATOM 37 CG ARG A 9 -5.997 2.468 -8.863 1.00 0.00 C ATOM 38 CD ARG A 9 -5.175 3.383 -9.750 1.00 0.00 C ATOM 39 NE ARG A 9 -3.984 2.718 -10.280 1.00 0.00 N ATOM 40 CZ ARG A 9 -3.203 3.244 -11.224 1.00 0.00 C ATOM 41 NH1 ARG A 9 -3.433 4.471 -11.667 1.00 0.00 N ATOM 42 NH2 ARG A 9 -2.180 2.553 -11.706 1.00 0.00 N ATOM 0 H ARG A 9 -7.467 2.717 -5.955 1.00 0.00 H new ATOM 0 HA ARG A 9 -6.168 0.293 -7.062 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.102 3.135 -7.038 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -4.331 1.728 -7.744 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.183 1.528 -9.382 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -6.969 2.923 -8.671 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -5.792 3.733 -10.578 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -4.875 4.263 -9.181 1.00 0.00 H new ATOM 0 HE ARG A 9 -3.738 1.801 -9.907 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.208 5.014 -11.286 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -2.835 4.873 -12.389 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.988 1.615 -11.355 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -1.585 2.959 -12.428 1.00 0.00 H new ATOM 56 N VAL A 10 -4.847 0.006 -4.980 1.00 0.00 N ATOM 57 CA VAL A 10 -4.209 -0.235 -3.697 1.00 0.00 C ATOM 58 C VAL A 10 -2.697 -0.334 -3.855 1.00 0.00 C ATOM 59 O VAL A 10 -2.193 -0.645 -4.937 1.00 0.00 O ATOM 60 CB VAL A 10 -4.735 -1.524 -3.024 1.00 0.00 C ATOM 61 CG1 VAL A 10 -6.196 -1.377 -2.636 1.00 0.00 C ATOM 62 CG2 VAL A 10 -4.553 -2.718 -3.938 1.00 0.00 C ATOM 0 H VAL A 10 -4.830 -0.789 -5.619 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.456 0.613 -3.059 1.00 0.00 H new ATOM 0 HB VAL A 10 -4.154 -1.689 -2.117 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.542 -2.297 -2.165 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -6.305 -0.548 -1.937 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -6.791 -1.180 -3.528 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.930 -3.614 -3.445 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.104 -2.555 -4.864 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.494 -2.846 -4.163 1.00 0.00 H new ATOM 72 N TYR A 11 -1.986 -0.055 -2.776 1.00 0.00 N ATOM 73 CA TYR A 11 -0.539 -0.156 -2.762 1.00 0.00 C ATOM 74 C TYR A 11 -0.139 -1.281 -1.825 1.00 0.00 C ATOM 75 O TYR A 11 -0.666 -1.377 -0.723 1.00 0.00 O ATOM 76 CB TYR A 11 0.085 1.155 -2.278 1.00 0.00 C ATOM 77 CG TYR A 11 -0.549 2.399 -2.862 1.00 0.00 C ATOM 78 CD1 TYR A 11 -0.307 2.775 -4.174 1.00 0.00 C ATOM 79 CD2 TYR A 11 -1.384 3.199 -2.091 1.00 0.00 C ATOM 80 CE1 TYR A 11 -0.879 3.914 -4.705 1.00 0.00 C ATOM 81 CE2 TYR A 11 -1.962 4.338 -2.616 1.00 0.00 C ATOM 82 CZ TYR A 11 -1.706 4.691 -3.923 1.00 0.00 C ATOM 83 OH TYR A 11 -2.271 5.827 -4.449 1.00 0.00 O ATOM 0 H TYR A 11 -2.393 0.246 -1.891 1.00 0.00 H new ATOM 0 HA TYR A 11 -0.182 -0.358 -3.772 1.00 0.00 H new ATOM 0 HB2 TYR A 11 0.011 1.200 -1.191 1.00 0.00 H new ATOM 0 HB3 TYR A 11 1.147 1.152 -2.526 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.339 2.168 -4.791 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -1.584 2.926 -1.065 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -0.679 4.195 -5.729 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -2.611 4.949 -2.006 1.00 0.00 H new ATOM 0 HH TYR A 11 -2.828 6.261 -3.769 1.00 0.00 H new ATOM 93 N GLN A 12 0.765 -2.138 -2.259 1.00 0.00 N ATOM 94 CA GLN A 12 1.201 -3.246 -1.424 1.00 0.00 C ATOM 95 C GLN A 12 2.684 -3.134 -1.098 1.00 0.00 C ATOM 96 O GLN A 12 3.490 -2.774 -1.958 1.00 0.00 O ATOM 97 CB GLN A 12 0.921 -4.594 -2.103 1.00 0.00 C ATOM 98 CG GLN A 12 1.689 -4.815 -3.397 1.00 0.00 C ATOM 99 CD GLN A 12 1.580 -6.238 -3.903 1.00 0.00 C ATOM 100 OE1 GLN A 12 0.679 -6.571 -4.668 1.00 0.00 O ATOM 101 NE2 GLN A 12 2.500 -7.088 -3.477 1.00 0.00 N ATOM 0 H GLN A 12 1.210 -2.092 -3.176 1.00 0.00 H new ATOM 0 HA GLN A 12 0.632 -3.197 -0.496 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.167 -5.396 -1.407 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.146 -4.668 -2.311 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.313 -4.132 -4.159 1.00 0.00 H new ATOM 0 HG3 GLN A 12 2.739 -4.569 -3.239 1.00 0.00 H new ATOM 0 HE21 GLN A 12 3.232 -6.771 -2.842 1.00 0.00 H new ATOM 0 HE22 GLN A 12 2.477 -8.060 -3.784 1.00 0.00 H new ATOM 110 N CYS A 13 3.034 -3.424 0.147 1.00 0.00 N ATOM 111 CA CYS A 13 4.430 -3.532 0.527 1.00 0.00 C ATOM 112 C CYS A 13 4.939 -4.889 0.031 1.00 0.00 C ATOM 113 O CYS A 13 4.292 -5.914 0.246 1.00 0.00 O ATOM 114 CB CYS A 13 4.591 -3.397 2.055 1.00 0.00 C ATOM 115 SG CYS A 13 4.306 -4.938 2.969 1.00 0.00 S ATOM 0 H CYS A 13 2.372 -3.588 0.906 1.00 0.00 H new ATOM 0 HA CYS A 13 5.013 -2.728 0.077 1.00 0.00 H new ATOM 0 HB2 CYS A 13 5.597 -3.038 2.273 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.897 -2.639 2.417 1.00 0.00 H new ATOM 120 N LEU A 14 6.066 -4.901 -0.663 1.00 0.00 N ATOM 121 CA LEU A 14 6.573 -6.124 -1.278 1.00 0.00 C ATOM 122 C LEU A 14 7.082 -7.142 -0.258 1.00 0.00 C ATOM 123 O LEU A 14 7.536 -8.221 -0.635 1.00 0.00 O ATOM 124 CB LEU A 14 7.692 -5.773 -2.260 1.00 0.00 C ATOM 125 CG LEU A 14 7.246 -5.302 -3.651 1.00 0.00 C ATOM 126 CD1 LEU A 14 7.041 -6.486 -4.575 1.00 0.00 C ATOM 127 CD2 LEU A 14 5.972 -4.484 -3.586 1.00 0.00 C ATOM 0 H LEU A 14 6.650 -4.079 -0.816 1.00 0.00 H new ATOM 0 HA LEU A 14 5.737 -6.591 -1.799 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.307 -4.992 -1.814 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.329 -6.649 -2.382 1.00 0.00 H new ATOM 0 HG LEU A 14 8.040 -4.667 -4.044 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.725 -6.131 -5.556 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.976 -7.038 -4.672 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.274 -7.141 -4.162 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.690 -4.170 -4.591 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.173 -5.089 -3.157 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.136 -3.604 -2.963 1.00 0.00 H new ATOM 139 N ARG A 15 6.986 -6.824 1.026 1.00 0.00 N ATOM 140 CA ARG A 15 7.524 -7.709 2.049 1.00 0.00 C ATOM 141 C ARG A 15 6.429 -8.560 2.672 1.00 0.00 C ATOM 142 O ARG A 15 6.502 -9.787 2.666 1.00 0.00 O ATOM 143 CB ARG A 15 8.219 -6.896 3.131 1.00 0.00 C ATOM 144 CG ARG A 15 8.824 -5.609 2.609 1.00 0.00 C ATOM 145 CD ARG A 15 10.034 -5.193 3.433 1.00 0.00 C ATOM 146 NE ARG A 15 9.716 -5.090 4.856 1.00 0.00 N ATOM 147 CZ ARG A 15 10.574 -5.354 5.843 1.00 0.00 C ATOM 148 NH1 ARG A 15 11.808 -5.766 5.573 1.00 0.00 N ATOM 149 NH2 ARG A 15 10.183 -5.214 7.103 1.00 0.00 N ATOM 0 H ARG A 15 6.548 -5.974 1.380 1.00 0.00 H new ATOM 0 HA ARG A 15 8.245 -8.373 1.572 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.502 -6.661 3.918 1.00 0.00 H new ATOM 0 HB3 ARG A 15 9.003 -7.502 3.585 1.00 0.00 H new ATOM 0 HG2 ARG A 15 9.118 -5.739 1.567 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.076 -4.817 2.633 1.00 0.00 H new ATOM 0 HD2 ARG A 15 10.836 -5.918 3.292 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.405 -4.233 3.074 1.00 0.00 H new ATOM 0 HE ARG A 15 8.773 -4.796 5.112 1.00 0.00 H new ATOM 0 HH11 ARG A 15 12.106 -5.883 4.605 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.457 -5.965 6.334 1.00 0.00 H new ATOM 0 HH21 ARG A 15 9.233 -4.907 7.311 1.00 0.00 H new ATOM 0 HH22 ARG A 15 10.832 -5.414 7.864 1.00 0.00 H new ATOM 163 N CYS A 16 5.405 -7.909 3.197 1.00 0.00 N ATOM 164 CA CYS A 16 4.339 -8.623 3.882 1.00 0.00 C ATOM 165 C CYS A 16 3.153 -8.794 2.946 1.00 0.00 C ATOM 166 O CYS A 16 2.203 -9.515 3.246 1.00 0.00 O ATOM 167 CB CYS A 16 3.896 -7.866 5.137 1.00 0.00 C ATOM 168 SG CYS A 16 5.208 -6.923 5.950 1.00 0.00 S ATOM 0 H CYS A 16 5.288 -6.896 3.163 1.00 0.00 H new ATOM 0 HA CYS A 16 4.716 -9.601 4.181 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.089 -7.184 4.868 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.485 -8.580 5.850 1.00 0.00 H new ATOM 173 N GLY A 17 3.231 -8.121 1.804 1.00 0.00 N ATOM 174 CA GLY A 17 2.145 -8.133 0.853 1.00 0.00 C ATOM 175 C GLY A 17 0.966 -7.326 1.344 1.00 0.00 C ATOM 176 O GLY A 17 -0.175 -7.605 0.983 1.00 0.00 O ATOM 0 H GLY A 17 4.037 -7.563 1.522 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.490 -7.731 -0.099 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.832 -9.161 0.670 1.00 0.00 H new ATOM 180 N LEU A 18 1.238 -6.315 2.167 1.00 0.00 N ATOM 181 CA LEU A 18 0.158 -5.557 2.798 1.00 0.00 C ATOM 182 C LEU A 18 -0.345 -4.444 1.892 1.00 0.00 C ATOM 183 O LEU A 18 0.435 -3.617 1.426 1.00 0.00 O ATOM 184 CB LEU A 18 0.599 -4.986 4.146 1.00 0.00 C ATOM 185 CG LEU A 18 0.836 -6.026 5.244 1.00 0.00 C ATOM 186 CD1 LEU A 18 1.117 -5.344 6.571 1.00 0.00 C ATOM 187 CD2 LEU A 18 -0.362 -6.958 5.373 1.00 0.00 C ATOM 0 H LEU A 18 2.179 -6.005 2.410 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.665 -6.251 2.970 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.518 -4.419 4.000 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.159 -4.282 4.491 1.00 0.00 H new ATOM 0 HG LEU A 18 1.706 -6.621 4.966 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.283 -6.099 7.340 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.005 -4.719 6.478 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.265 -4.724 6.849 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.172 -7.689 6.159 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.249 -6.377 5.625 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.524 -7.476 4.428 1.00 0.00 H new ATOM 199 N THR A 19 -1.651 -4.444 1.649 1.00 0.00 N ATOM 200 CA THR A 19 -2.281 -3.461 0.778 1.00 0.00 C ATOM 201 C THR A 19 -2.830 -2.269 1.561 1.00 0.00 C ATOM 202 O THR A 19 -3.288 -2.410 2.697 1.00 0.00 O ATOM 203 CB THR A 19 -3.430 -4.091 -0.033 1.00 0.00 C ATOM 204 OG1 THR A 19 -4.244 -4.912 0.820 1.00 0.00 O ATOM 205 CG2 THR A 19 -2.896 -4.918 -1.189 1.00 0.00 C ATOM 0 H THR A 19 -2.299 -5.122 2.049 1.00 0.00 H new ATOM 0 HA THR A 19 -1.502 -3.109 0.101 1.00 0.00 H new ATOM 0 HB THR A 19 -4.036 -3.283 -0.443 1.00 0.00 H new ATOM 0 HG1 THR A 19 -4.972 -5.307 0.296 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.729 -5.350 -1.743 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.311 -4.281 -1.852 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.264 -5.718 -0.803 1.00 0.00 H new ATOM 213 N PHE A 20 -2.767 -1.098 0.945 1.00 0.00 N ATOM 214 CA PHE A 20 -3.305 0.120 1.529 1.00 0.00 C ATOM 215 C PHE A 20 -4.092 0.876 0.470 1.00 0.00 C ATOM 216 O PHE A 20 -3.751 0.825 -0.711 1.00 0.00 O ATOM 217 CB PHE A 20 -2.172 1.004 2.054 1.00 0.00 C ATOM 218 CG PHE A 20 -1.126 0.244 2.814 1.00 0.00 C ATOM 219 CD1 PHE A 20 -1.318 -0.099 4.143 1.00 0.00 C ATOM 220 CD2 PHE A 20 0.047 -0.140 2.189 1.00 0.00 C ATOM 221 CE1 PHE A 20 -0.355 -0.810 4.832 1.00 0.00 C ATOM 222 CE2 PHE A 20 1.011 -0.849 2.869 1.00 0.00 C ATOM 223 CZ PHE A 20 0.811 -1.185 4.194 1.00 0.00 C ATOM 0 H PHE A 20 -2.342 -0.966 0.027 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.959 -0.142 2.361 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -1.701 1.515 1.214 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.592 1.774 2.701 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -2.229 0.192 4.645 1.00 0.00 H new ATOM 0 HD2 PHE A 20 0.208 0.120 1.153 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.514 -1.072 5.868 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.922 -1.142 2.368 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.566 -1.741 4.731 1.00 0.00 H new ATOM 233 N ARG A 21 -5.146 1.568 0.889 1.00 0.00 N ATOM 234 CA ARG A 21 -5.994 2.298 -0.049 1.00 0.00 C ATOM 235 C ARG A 21 -5.525 3.741 -0.209 1.00 0.00 C ATOM 236 O ARG A 21 -5.964 4.448 -1.112 1.00 0.00 O ATOM 237 CB ARG A 21 -7.455 2.272 0.412 1.00 0.00 C ATOM 238 CG ARG A 21 -8.062 0.878 0.448 1.00 0.00 C ATOM 239 CD ARG A 21 -9.536 0.921 0.814 1.00 0.00 C ATOM 240 NE ARG A 21 -10.132 -0.415 0.833 1.00 0.00 N ATOM 241 CZ ARG A 21 -11.397 -0.672 0.504 1.00 0.00 C ATOM 242 NH1 ARG A 21 -12.204 0.316 0.147 1.00 0.00 N ATOM 243 NH2 ARG A 21 -11.852 -1.920 0.540 1.00 0.00 N ATOM 0 H ARG A 21 -5.433 1.639 1.865 1.00 0.00 H new ATOM 0 HA ARG A 21 -5.919 1.803 -1.017 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.520 2.712 1.407 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -8.048 2.899 -0.254 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.942 0.403 -0.525 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.524 0.265 1.171 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -9.654 1.385 1.793 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -10.070 1.547 0.099 1.00 0.00 H new ATOM 0 HE ARG A 21 -9.543 -1.198 1.116 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -11.857 1.275 0.124 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -13.172 0.118 -0.105 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -11.233 -2.681 0.820 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -12.821 -2.117 0.288 1.00 0.00 H new ATOM 257 N THR A 22 -4.637 4.175 0.676 1.00 0.00 N ATOM 258 CA THR A 22 -4.096 5.522 0.617 1.00 0.00 C ATOM 259 C THR A 22 -2.602 5.491 0.936 1.00 0.00 C ATOM 260 O THR A 22 -2.119 4.592 1.633 1.00 0.00 O ATOM 261 CB THR A 22 -4.842 6.468 1.590 1.00 0.00 C ATOM 262 OG1 THR A 22 -4.412 7.819 1.396 1.00 0.00 O ATOM 263 CG2 THR A 22 -4.617 6.075 3.040 1.00 0.00 C ATOM 0 H THR A 22 -4.277 3.610 1.445 1.00 0.00 H new ATOM 0 HA THR A 22 -4.238 5.909 -0.392 1.00 0.00 H new ATOM 0 HB THR A 22 -5.907 6.383 1.372 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.892 8.407 2.016 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.157 6.763 3.691 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.981 5.060 3.203 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.552 6.120 3.268 1.00 0.00 H new ATOM 271 N LYS A 23 -1.876 6.474 0.406 1.00 0.00 N ATOM 272 CA LYS A 23 -0.418 6.505 0.494 1.00 0.00 C ATOM 273 C LYS A 23 0.058 6.676 1.930 1.00 0.00 C ATOM 274 O LYS A 23 1.149 6.235 2.281 1.00 0.00 O ATOM 275 CB LYS A 23 0.150 7.646 -0.350 1.00 0.00 C ATOM 276 CG LYS A 23 -0.330 7.660 -1.790 1.00 0.00 C ATOM 277 CD LYS A 23 0.328 8.778 -2.575 1.00 0.00 C ATOM 278 CE LYS A 23 -0.240 8.893 -3.980 1.00 0.00 C ATOM 279 NZ LYS A 23 -0.195 7.599 -4.707 1.00 0.00 N ATOM 0 H LYS A 23 -2.279 7.267 -0.093 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.059 5.548 0.116 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.115 8.594 0.118 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.238 7.580 -0.343 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.107 6.702 -2.260 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.413 7.783 -1.814 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.189 9.722 -2.049 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.402 8.599 -2.631 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.271 9.243 -3.927 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.322 9.642 -4.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.364 7.764 -5.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.740 7.161 -4.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.929 6.965 -4.332 1.00 0.00 H new ATOM 293 N LYS A 24 -0.754 7.326 2.750 1.00 0.00 N ATOM 294 CA LYS A 24 -0.396 7.579 4.139 1.00 0.00 C ATOM 295 C LYS A 24 -0.205 6.266 4.892 1.00 0.00 C ATOM 296 O LYS A 24 0.761 6.105 5.636 1.00 0.00 O ATOM 297 CB LYS A 24 -1.473 8.433 4.803 1.00 0.00 C ATOM 298 CG LYS A 24 -1.076 8.992 6.156 1.00 0.00 C ATOM 299 CD LYS A 24 -2.149 9.926 6.692 1.00 0.00 C ATOM 300 CE LYS A 24 -1.722 10.589 7.990 1.00 0.00 C ATOM 301 NZ LYS A 24 -2.780 11.487 8.519 1.00 0.00 N ATOM 0 H LYS A 24 -1.667 7.689 2.478 1.00 0.00 H new ATOM 0 HA LYS A 24 0.549 8.122 4.168 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.725 9.261 4.140 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.375 7.833 4.921 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.915 8.175 6.859 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.131 9.528 6.069 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.369 10.692 5.948 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.070 9.366 6.855 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.490 9.824 8.731 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.809 11.160 7.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.454 11.923 9.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.984 12.231 7.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.644 10.937 8.700 1.00 0.00 H new ATOM 315 N GLN A 25 -1.115 5.323 4.674 1.00 0.00 N ATOM 316 CA GLN A 25 -1.009 4.000 5.284 1.00 0.00 C ATOM 317 C GLN A 25 0.230 3.285 4.762 1.00 0.00 C ATOM 318 O GLN A 25 0.909 2.564 5.497 1.00 0.00 O ATOM 319 CB GLN A 25 -2.245 3.153 4.973 1.00 0.00 C ATOM 320 CG GLN A 25 -3.549 3.726 5.495 1.00 0.00 C ATOM 321 CD GLN A 25 -4.732 2.827 5.186 1.00 0.00 C ATOM 322 OE1 GLN A 25 -5.364 2.945 4.131 1.00 0.00 O ATOM 323 NE2 GLN A 25 -5.036 1.921 6.099 1.00 0.00 N ATOM 0 H GLN A 25 -1.935 5.449 4.080 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.934 4.131 6.363 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.323 3.031 3.893 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.104 2.159 5.397 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.475 3.870 6.573 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -3.716 4.708 5.053 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.488 1.857 6.957 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -5.819 1.285 5.946 1.00 0.00 H new ATOM 332 N LEU A 26 0.519 3.509 3.484 1.00 0.00 N ATOM 333 CA LEU A 26 1.657 2.895 2.826 1.00 0.00 C ATOM 334 C LEU A 26 2.957 3.391 3.440 1.00 0.00 C ATOM 335 O LEU A 26 3.790 2.602 3.878 1.00 0.00 O ATOM 336 CB LEU A 26 1.629 3.231 1.334 1.00 0.00 C ATOM 337 CG LEU A 26 2.823 2.729 0.530 1.00 0.00 C ATOM 338 CD1 LEU A 26 2.744 1.224 0.340 1.00 0.00 C ATOM 339 CD2 LEU A 26 2.894 3.445 -0.807 1.00 0.00 C ATOM 0 H LEU A 26 -0.030 4.121 2.880 1.00 0.00 H new ATOM 0 HA LEU A 26 1.599 1.815 2.958 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.720 2.814 0.902 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.567 4.314 1.223 1.00 0.00 H new ATOM 0 HG LEU A 26 3.736 2.949 1.084 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.605 0.884 -0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.743 0.734 1.314 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.828 0.972 -0.194 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.751 3.077 -1.371 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.980 3.256 -1.370 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.002 4.517 -0.640 1.00 0.00 H new ATOM 351 N ILE A 27 3.096 4.707 3.506 1.00 0.00 N ATOM 352 CA ILE A 27 4.306 5.323 4.020 1.00 0.00 C ATOM 353 C ILE A 27 4.518 4.968 5.487 1.00 0.00 C ATOM 354 O ILE A 27 5.630 4.636 5.888 1.00 0.00 O ATOM 355 CB ILE A 27 4.278 6.859 3.829 1.00 0.00 C ATOM 356 CG1 ILE A 27 4.260 7.196 2.332 1.00 0.00 C ATOM 357 CG2 ILE A 27 5.468 7.516 4.517 1.00 0.00 C ATOM 358 CD1 ILE A 27 4.268 8.680 2.035 1.00 0.00 C ATOM 0 H ILE A 27 2.381 5.370 3.208 1.00 0.00 H new ATOM 0 HA ILE A 27 5.146 4.928 3.448 1.00 0.00 H new ATOM 0 HB ILE A 27 3.372 7.252 4.290 1.00 0.00 H new ATOM 0 HG12 ILE A 27 5.126 6.736 1.856 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.374 6.750 1.880 1.00 0.00 H new ATOM 0 HG21 ILE A 27 5.425 8.595 4.368 1.00 0.00 H new ATOM 0 HG22 ILE A 27 5.438 7.296 5.584 1.00 0.00 H new ATOM 0 HG23 ILE A 27 6.394 7.128 4.092 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.254 8.835 0.956 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.388 9.145 2.480 1.00 0.00 H new ATOM 0 HD13 ILE A 27 5.167 9.130 2.455 1.00 0.00 H new ATOM 370 N ARG A 28 3.450 5.008 6.280 1.00 0.00 N ATOM 371 CA ARG A 28 3.546 4.643 7.694 1.00 0.00 C ATOM 372 C ARG A 28 4.156 3.253 7.873 1.00 0.00 C ATOM 373 O ARG A 28 5.052 3.062 8.696 1.00 0.00 O ATOM 374 CB ARG A 28 2.174 4.682 8.364 1.00 0.00 C ATOM 375 CG ARG A 28 1.614 6.080 8.561 1.00 0.00 C ATOM 376 CD ARG A 28 0.300 6.036 9.323 1.00 0.00 C ATOM 377 NE ARG A 28 0.454 5.394 10.628 1.00 0.00 N ATOM 378 CZ ARG A 28 -0.354 4.444 11.096 1.00 0.00 C ATOM 379 NH1 ARG A 28 -1.413 4.054 10.395 1.00 0.00 N ATOM 380 NH2 ARG A 28 -0.100 3.884 12.271 1.00 0.00 N ATOM 0 H ARG A 28 2.518 5.286 5.974 1.00 0.00 H new ATOM 0 HA ARG A 28 4.199 5.376 8.168 1.00 0.00 H new ATOM 0 HB2 ARG A 28 1.472 4.104 7.763 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.243 4.191 9.335 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.334 6.691 9.105 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.461 6.555 7.592 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.077 7.050 9.458 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.443 5.495 8.737 1.00 0.00 H new ATOM 0 HE ARG A 28 1.230 5.693 11.218 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.612 4.483 9.491 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.027 3.326 10.761 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.712 4.181 12.813 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -0.716 3.156 12.633 1.00 0.00 H new ATOM 394 N HIS A 29 3.682 2.288 7.094 1.00 0.00 N ATOM 395 CA HIS A 29 4.136 0.911 7.236 1.00 0.00 C ATOM 396 C HIS A 29 5.517 0.719 6.609 1.00 0.00 C ATOM 397 O HIS A 29 6.401 0.111 7.214 1.00 0.00 O ATOM 398 CB HIS A 29 3.109 -0.038 6.608 1.00 0.00 C ATOM 399 CG HIS A 29 3.490 -1.487 6.656 1.00 0.00 C ATOM 400 ND1 HIS A 29 3.882 -2.150 7.796 1.00 0.00 N ATOM 401 CD2 HIS A 29 3.529 -2.403 5.660 1.00 0.00 C ATOM 402 CE1 HIS A 29 4.144 -3.426 7.460 1.00 0.00 C ATOM 403 NE2 HIS A 29 3.940 -3.627 6.173 1.00 0.00 N ATOM 0 H HIS A 29 2.987 2.433 6.361 1.00 0.00 H new ATOM 0 HA HIS A 29 4.227 0.679 8.297 1.00 0.00 H new ATOM 0 HB2 HIS A 29 2.155 0.091 7.119 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.956 0.250 5.568 1.00 0.00 H new ATOM 0 HD1 HIS A 29 3.960 -1.746 8.729 1.00 0.00 H new ATOM 0 HD2 HIS A 29 3.279 -2.212 4.627 1.00 0.00 H new ATOM 0 HE1 HIS A 29 4.477 -4.185 8.152 1.00 0.00 H new ATOM 411 N LEU A 30 5.691 1.235 5.397 1.00 0.00 N ATOM 412 CA LEU A 30 6.978 1.209 4.712 1.00 0.00 C ATOM 413 C LEU A 30 8.096 1.820 5.560 1.00 0.00 C ATOM 414 O LEU A 30 9.154 1.221 5.712 1.00 0.00 O ATOM 415 CB LEU A 30 6.872 1.942 3.372 1.00 0.00 C ATOM 416 CG LEU A 30 6.475 1.074 2.171 1.00 0.00 C ATOM 417 CD1 LEU A 30 7.650 0.219 1.719 1.00 0.00 C ATOM 418 CD2 LEU A 30 5.285 0.184 2.500 1.00 0.00 C ATOM 0 H LEU A 30 4.946 1.682 4.863 1.00 0.00 H new ATOM 0 HA LEU A 30 7.236 0.164 4.539 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.142 2.745 3.474 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.833 2.410 3.157 1.00 0.00 H new ATOM 0 HG LEU A 30 6.188 1.744 1.361 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.350 -0.390 0.866 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.480 0.864 1.430 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.963 -0.430 2.536 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.029 -0.418 1.628 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.540 -0.472 3.332 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.432 0.804 2.776 1.00 0.00 H new ATOM 430 N VAL A 31 7.859 2.996 6.125 1.00 0.00 N ATOM 431 CA VAL A 31 8.895 3.693 6.882 1.00 0.00 C ATOM 432 C VAL A 31 9.146 3.041 8.241 1.00 0.00 C ATOM 433 O VAL A 31 10.293 2.838 8.635 1.00 0.00 O ATOM 434 CB VAL A 31 8.551 5.185 7.087 1.00 0.00 C ATOM 435 CG1 VAL A 31 9.598 5.876 7.953 1.00 0.00 C ATOM 436 CG2 VAL A 31 8.432 5.887 5.746 1.00 0.00 C ATOM 0 H VAL A 31 6.966 3.486 6.076 1.00 0.00 H new ATOM 0 HA VAL A 31 9.804 3.620 6.286 1.00 0.00 H new ATOM 0 HB VAL A 31 7.593 5.243 7.603 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.330 6.925 8.080 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.641 5.391 8.928 1.00 0.00 H new ATOM 0 HG13 VAL A 31 10.573 5.807 7.470 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.189 6.938 5.906 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.378 5.810 5.210 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.643 5.418 5.158 1.00 0.00 H new ATOM 446 N ASN A 32 8.080 2.710 8.956 1.00 0.00 N ATOM 447 CA ASN A 32 8.222 2.181 10.309 1.00 0.00 C ATOM 448 C ASN A 32 8.572 0.697 10.315 1.00 0.00 C ATOM 449 O ASN A 32 9.627 0.303 10.813 1.00 0.00 O ATOM 450 CB ASN A 32 6.946 2.422 11.121 1.00 0.00 C ATOM 451 CG ASN A 32 6.771 3.877 11.519 1.00 0.00 C ATOM 452 OD1 ASN A 32 7.746 4.604 11.705 1.00 0.00 O ATOM 453 ND2 ASN A 32 5.526 4.312 11.654 1.00 0.00 N ATOM 0 H ASN A 32 7.118 2.796 8.629 1.00 0.00 H new ATOM 0 HA ASN A 32 9.050 2.717 10.773 1.00 0.00 H new ATOM 0 HB2 ASN A 32 6.083 2.103 10.537 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.969 1.804 12.019 1.00 0.00 H new ATOM 0 HD21 ASN A 32 5.350 5.281 11.921 1.00 0.00 H new ATOM 0 HD22 ASN A 32 4.744 3.678 11.491 1.00 0.00 H new ATOM 460 N THR A 33 7.702 -0.128 9.750 1.00 0.00 N ATOM 461 CA THR A 33 7.883 -1.570 9.816 1.00 0.00 C ATOM 462 C THR A 33 8.915 -2.051 8.801 1.00 0.00 C ATOM 463 O THR A 33 9.749 -2.900 9.111 1.00 0.00 O ATOM 464 CB THR A 33 6.558 -2.316 9.580 1.00 0.00 C ATOM 465 OG1 THR A 33 5.509 -1.702 10.343 1.00 0.00 O ATOM 466 CG2 THR A 33 6.686 -3.781 9.979 1.00 0.00 C ATOM 0 H THR A 33 6.869 0.174 9.244 1.00 0.00 H new ATOM 0 HA THR A 33 8.242 -1.792 10.821 1.00 0.00 H new ATOM 0 HB THR A 33 6.318 -2.261 8.518 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.842 -2.378 10.586 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.738 -4.290 9.804 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.467 -4.254 9.383 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.945 -3.849 11.036 1.00 0.00 H new ATOM 474 N GLU A 34 8.869 -1.505 7.592 1.00 0.00 N ATOM 475 CA GLU A 34 9.772 -1.949 6.536 1.00 0.00 C ATOM 476 C GLU A 34 11.090 -1.177 6.604 1.00 0.00 C ATOM 477 O GLU A 34 12.034 -1.491 5.887 1.00 0.00 O ATOM 478 CB GLU A 34 9.143 -1.757 5.151 1.00 0.00 C ATOM 479 CG GLU A 34 7.637 -1.971 5.099 1.00 0.00 C ATOM 480 CD GLU A 34 7.203 -3.395 5.337 1.00 0.00 C ATOM 481 OE1 GLU A 34 7.170 -3.850 6.484 1.00 0.00 O ATOM 482 OE2 GLU A 34 6.822 -4.070 4.367 1.00 0.00 O ATOM 0 H GLU A 34 8.224 -0.763 7.320 1.00 0.00 H new ATOM 0 HA GLU A 34 9.962 -3.011 6.689 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.365 -0.748 4.803 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.618 -2.446 4.453 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.165 -1.331 5.844 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.270 -1.650 4.124 1.00 0.00 H new ATOM 489 N LYS A 35 11.110 -0.166 7.486 1.00 0.00 N ATOM 490 CA LYS A 35 12.246 0.753 7.682 1.00 0.00 C ATOM 491 C LYS A 35 12.762 1.337 6.362 1.00 0.00 C ATOM 492 O LYS A 35 13.952 1.625 6.217 1.00 0.00 O ATOM 493 CB LYS A 35 13.390 0.105 8.489 1.00 0.00 C ATOM 494 CG LYS A 35 14.158 -0.994 7.770 1.00 0.00 C ATOM 495 CD LYS A 35 15.404 -1.390 8.542 1.00 0.00 C ATOM 496 CE LYS A 35 16.248 -2.386 7.768 1.00 0.00 C ATOM 497 NZ LYS A 35 17.544 -2.653 8.445 1.00 0.00 N ATOM 0 H LYS A 35 10.320 0.041 8.097 1.00 0.00 H new ATOM 0 HA LYS A 35 11.860 1.584 8.273 1.00 0.00 H new ATOM 0 HB2 LYS A 35 14.093 0.885 8.780 1.00 0.00 H new ATOM 0 HB3 LYS A 35 12.974 -0.308 9.408 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.515 -1.865 7.640 1.00 0.00 H new ATOM 0 HG3 LYS A 35 14.438 -0.653 6.773 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.996 -0.501 8.759 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.117 -1.823 9.500 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.697 -3.320 7.656 1.00 0.00 H new ATOM 0 HE3 LYS A 35 16.434 -2.003 6.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 18.093 -3.338 7.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 18.081 -1.766 8.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 17.367 -3.042 9.393 1.00 0.00 H new ATOM 511 N VAL A 36 11.853 1.545 5.419 1.00 0.00 N ATOM 512 CA VAL A 36 12.202 2.102 4.127 1.00 0.00 C ATOM 513 C VAL A 36 11.812 3.575 4.056 1.00 0.00 C ATOM 514 O VAL A 36 10.657 3.932 4.274 1.00 0.00 O ATOM 515 CB VAL A 36 11.508 1.339 2.978 1.00 0.00 C ATOM 516 CG1 VAL A 36 11.835 1.976 1.641 1.00 0.00 C ATOM 517 CG2 VAL A 36 11.912 -0.127 2.974 1.00 0.00 C ATOM 0 H VAL A 36 10.861 1.333 5.530 1.00 0.00 H new ATOM 0 HA VAL A 36 13.281 2.002 4.012 1.00 0.00 H new ATOM 0 HB VAL A 36 10.432 1.397 3.140 1.00 0.00 H new ATOM 0 HG11 VAL A 36 11.337 1.424 0.844 1.00 0.00 H new ATOM 0 HG12 VAL A 36 11.491 3.010 1.637 1.00 0.00 H new ATOM 0 HG13 VAL A 36 12.913 1.952 1.480 1.00 0.00 H new ATOM 0 HG21 VAL A 36 11.409 -0.641 2.155 1.00 0.00 H new ATOM 0 HG22 VAL A 36 12.991 -0.207 2.844 1.00 0.00 H new ATOM 0 HG23 VAL A 36 11.626 -0.586 3.920 1.00 0.00 H new ATOM 527 N ASN A 37 12.789 4.418 3.759 1.00 0.00 N ATOM 528 CA ASN A 37 12.566 5.855 3.612 1.00 0.00 C ATOM 529 C ASN A 37 11.593 6.139 2.471 1.00 0.00 C ATOM 530 O ASN A 37 11.599 5.448 1.454 1.00 0.00 O ATOM 531 CB ASN A 37 13.896 6.559 3.343 1.00 0.00 C ATOM 532 CG ASN A 37 14.828 6.507 4.535 1.00 0.00 C ATOM 533 OD1 ASN A 37 14.385 6.529 5.684 1.00 0.00 O ATOM 534 ND2 ASN A 37 16.121 6.427 4.276 1.00 0.00 N ATOM 0 H ASN A 37 13.757 4.131 3.613 1.00 0.00 H new ATOM 0 HA ASN A 37 12.133 6.234 4.538 1.00 0.00 H new ATOM 0 HB2 ASN A 37 14.382 6.095 2.485 1.00 0.00 H new ATOM 0 HB3 ASN A 37 13.706 7.599 3.079 1.00 0.00 H new ATOM 0 HD21 ASN A 37 16.793 6.381 5.042 1.00 0.00 H new ATOM 0 HD22 ASN A 37 16.448 6.411 3.310 1.00 0.00 H new ATOM 541 N PRO A 38 10.747 7.178 2.627 1.00 0.00 N ATOM 542 CA PRO A 38 9.708 7.533 1.643 1.00 0.00 C ATOM 543 C PRO A 38 10.285 7.898 0.280 1.00 0.00 C ATOM 544 O PRO A 38 9.585 7.869 -0.729 1.00 0.00 O ATOM 545 CB PRO A 38 9.012 8.752 2.260 1.00 0.00 C ATOM 546 CG PRO A 38 9.371 8.719 3.705 1.00 0.00 C ATOM 547 CD PRO A 38 10.731 8.090 3.782 1.00 0.00 C ATOM 0 HA PRO A 38 9.041 6.691 1.457 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.350 9.677 1.792 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.932 8.700 2.122 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.382 9.724 4.127 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.642 8.142 4.275 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.523 8.836 3.717 1.00 0.00 H new ATOM 0 HD3 PRO A 38 10.874 7.554 4.720 1.00 0.00 H new ATOM 555 N LEU A 39 11.564 8.244 0.259 1.00 0.00 N ATOM 556 CA LEU A 39 12.251 8.566 -0.981 1.00 0.00 C ATOM 557 C LEU A 39 12.802 7.300 -1.633 1.00 0.00 C ATOM 558 O LEU A 39 13.326 7.335 -2.748 1.00 0.00 O ATOM 559 CB LEU A 39 13.386 9.553 -0.701 1.00 0.00 C ATOM 560 CG LEU A 39 12.946 10.869 -0.058 1.00 0.00 C ATOM 561 CD1 LEU A 39 14.158 11.678 0.366 1.00 0.00 C ATOM 562 CD2 LEU A 39 12.074 11.668 -1.018 1.00 0.00 C ATOM 0 H LEU A 39 12.149 8.309 1.092 1.00 0.00 H new ATOM 0 HA LEU A 39 11.540 9.024 -1.668 1.00 0.00 H new ATOM 0 HB2 LEU A 39 14.115 9.072 -0.049 1.00 0.00 H new ATOM 0 HB3 LEU A 39 13.895 9.775 -1.639 1.00 0.00 H new ATOM 0 HG LEU A 39 12.355 10.642 0.829 1.00 0.00 H new ATOM 0 HD11 LEU A 39 13.830 12.612 0.822 1.00 0.00 H new ATOM 0 HD12 LEU A 39 14.742 11.107 1.088 1.00 0.00 H new ATOM 0 HD13 LEU A 39 14.773 11.897 -0.507 1.00 0.00 H new ATOM 0 HD21 LEU A 39 11.771 12.601 -0.543 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.638 11.889 -1.924 1.00 0.00 H new ATOM 0 HD23 LEU A 39 11.188 11.087 -1.275 1.00 0.00 H new ATOM 574 N SER A 40 12.668 6.183 -0.931 1.00 0.00 N ATOM 575 CA SER A 40 13.209 4.917 -1.396 1.00 0.00 C ATOM 576 C SER A 40 12.105 3.871 -1.566 1.00 0.00 C ATOM 577 O SER A 40 12.349 2.791 -2.106 1.00 0.00 O ATOM 578 CB SER A 40 14.245 4.414 -0.389 1.00 0.00 C ATOM 579 OG SER A 40 15.045 5.483 0.094 1.00 0.00 O ATOM 0 H SER A 40 12.187 6.130 -0.033 1.00 0.00 H new ATOM 0 HA SER A 40 13.676 5.075 -2.368 1.00 0.00 H new ATOM 0 HB2 SER A 40 13.740 3.927 0.445 1.00 0.00 H new ATOM 0 HB3 SER A 40 14.880 3.663 -0.859 1.00 0.00 H new ATOM 0 HG SER A 40 15.699 5.138 0.737 1.00 0.00 H new ATOM 585 N ILE A 41 10.887 4.205 -1.124 1.00 0.00 N ATOM 586 CA ILE A 41 9.768 3.249 -1.111 1.00 0.00 C ATOM 587 C ILE A 41 9.402 2.768 -2.514 1.00 0.00 C ATOM 588 O ILE A 41 8.772 1.724 -2.665 1.00 0.00 O ATOM 589 CB ILE A 41 8.495 3.838 -0.451 1.00 0.00 C ATOM 590 CG1 ILE A 41 8.059 5.127 -1.156 1.00 0.00 C ATOM 591 CG2 ILE A 41 8.718 4.084 1.034 1.00 0.00 C ATOM 592 CD1 ILE A 41 6.764 5.709 -0.621 1.00 0.00 C ATOM 0 H ILE A 41 10.649 5.131 -0.770 1.00 0.00 H new ATOM 0 HA ILE A 41 10.123 2.405 -0.519 1.00 0.00 H new ATOM 0 HB ILE A 41 7.693 3.107 -0.557 1.00 0.00 H new ATOM 0 HG12 ILE A 41 8.850 5.871 -1.055 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.944 4.926 -2.221 1.00 0.00 H new ATOM 0 HG21 ILE A 41 7.811 4.497 1.475 1.00 0.00 H new ATOM 0 HG22 ILE A 41 8.964 3.143 1.526 1.00 0.00 H new ATOM 0 HG23 ILE A 41 9.539 4.788 1.167 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.520 6.619 -1.169 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.960 4.984 -0.747 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.880 5.943 0.437 1.00 0.00 H new ATOM 604 N ASP A 42 9.826 3.523 -3.521 1.00 0.00 N ATOM 605 CA ASP A 42 9.481 3.261 -4.924 1.00 0.00 C ATOM 606 C ASP A 42 9.668 1.794 -5.314 1.00 0.00 C ATOM 607 O ASP A 42 8.850 1.227 -6.035 1.00 0.00 O ATOM 608 CB ASP A 42 10.334 4.149 -5.833 1.00 0.00 C ATOM 609 CG ASP A 42 10.078 3.908 -7.309 1.00 0.00 C ATOM 610 OD1 ASP A 42 9.099 4.468 -7.846 1.00 0.00 O ATOM 611 OD2 ASP A 42 10.863 3.170 -7.945 1.00 0.00 O ATOM 0 H ASP A 42 10.423 4.340 -3.392 1.00 0.00 H new ATOM 0 HA ASP A 42 8.423 3.493 -5.047 1.00 0.00 H new ATOM 0 HB2 ASP A 42 10.133 5.195 -5.601 1.00 0.00 H new ATOM 0 HB3 ASP A 42 11.388 3.972 -5.619 1.00 0.00 H new ATOM 616 N TYR A 43 10.732 1.179 -4.822 1.00 0.00 N ATOM 617 CA TYR A 43 11.057 -0.192 -5.204 1.00 0.00 C ATOM 618 C TYR A 43 10.370 -1.220 -4.297 1.00 0.00 C ATOM 619 O TYR A 43 10.172 -2.370 -4.686 1.00 0.00 O ATOM 620 CB TYR A 43 12.577 -0.403 -5.178 1.00 0.00 C ATOM 621 CG TYR A 43 13.001 -1.795 -5.595 1.00 0.00 C ATOM 622 CD1 TYR A 43 12.995 -2.169 -6.932 1.00 0.00 C ATOM 623 CD2 TYR A 43 13.388 -2.740 -4.652 1.00 0.00 C ATOM 624 CE1 TYR A 43 13.364 -3.442 -7.319 1.00 0.00 C ATOM 625 CE2 TYR A 43 13.755 -4.016 -5.032 1.00 0.00 C ATOM 626 CZ TYR A 43 13.742 -4.363 -6.364 1.00 0.00 C ATOM 627 OH TYR A 43 14.097 -5.636 -6.746 1.00 0.00 O ATOM 0 H TYR A 43 11.384 1.602 -4.161 1.00 0.00 H new ATOM 0 HA TYR A 43 10.685 -0.345 -6.217 1.00 0.00 H new ATOM 0 HB2 TYR A 43 13.048 0.325 -5.839 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.946 -0.206 -4.172 1.00 0.00 H new ATOM 0 HD1 TYR A 43 12.697 -1.452 -7.682 1.00 0.00 H new ATOM 0 HD2 TYR A 43 13.402 -2.472 -3.606 1.00 0.00 H new ATOM 0 HE1 TYR A 43 13.357 -3.715 -8.364 1.00 0.00 H new ATOM 0 HE2 TYR A 43 14.051 -4.739 -4.287 1.00 0.00 H new ATOM 0 HH TYR A 43 14.338 -6.160 -5.954 1.00 0.00 H new ATOM 637 N TYR A 44 9.989 -0.803 -3.100 1.00 0.00 N ATOM 638 CA TYR A 44 9.507 -1.745 -2.092 1.00 0.00 C ATOM 639 C TYR A 44 7.994 -1.757 -2.019 1.00 0.00 C ATOM 640 O TYR A 44 7.407 -2.542 -1.269 1.00 0.00 O ATOM 641 CB TYR A 44 10.089 -1.403 -0.727 1.00 0.00 C ATOM 642 CG TYR A 44 11.587 -1.318 -0.746 1.00 0.00 C ATOM 643 CD1 TYR A 44 12.215 -0.127 -1.052 1.00 0.00 C ATOM 644 CD2 TYR A 44 12.371 -2.428 -0.476 1.00 0.00 C ATOM 645 CE1 TYR A 44 13.583 -0.033 -1.089 1.00 0.00 C ATOM 646 CE2 TYR A 44 13.748 -2.346 -0.511 1.00 0.00 C ATOM 647 CZ TYR A 44 14.351 -1.144 -0.820 1.00 0.00 C ATOM 648 OH TYR A 44 15.723 -1.050 -0.853 1.00 0.00 O ATOM 0 H TYR A 44 10.002 0.172 -2.801 1.00 0.00 H new ATOM 0 HA TYR A 44 9.839 -2.741 -2.387 1.00 0.00 H new ATOM 0 HB2 TYR A 44 9.679 -0.452 -0.389 1.00 0.00 H new ATOM 0 HB3 TYR A 44 9.780 -2.158 -0.004 1.00 0.00 H new ATOM 0 HD1 TYR A 44 11.618 0.747 -1.266 1.00 0.00 H new ATOM 0 HD2 TYR A 44 11.899 -3.369 -0.235 1.00 0.00 H new ATOM 0 HE1 TYR A 44 14.056 0.908 -1.328 1.00 0.00 H new ATOM 0 HE2 TYR A 44 14.350 -3.217 -0.298 1.00 0.00 H new ATOM 0 HH TYR A 44 16.116 -1.922 -0.639 1.00 0.00 H new ATOM 658 N TYR A 45 7.362 -0.883 -2.779 1.00 0.00 N ATOM 659 CA TYR A 45 5.912 -0.900 -2.857 1.00 0.00 C ATOM 660 C TYR A 45 5.440 -1.030 -4.300 1.00 0.00 C ATOM 661 O TYR A 45 6.049 -0.485 -5.225 1.00 0.00 O ATOM 662 CB TYR A 45 5.288 0.327 -2.174 1.00 0.00 C ATOM 663 CG TYR A 45 4.996 1.510 -3.076 1.00 0.00 C ATOM 664 CD1 TYR A 45 5.954 2.480 -3.325 1.00 0.00 C ATOM 665 CD2 TYR A 45 3.741 1.665 -3.654 1.00 0.00 C ATOM 666 CE1 TYR A 45 5.677 3.570 -4.128 1.00 0.00 C ATOM 667 CE2 TYR A 45 3.453 2.755 -4.451 1.00 0.00 C ATOM 668 CZ TYR A 45 4.424 3.704 -4.688 1.00 0.00 C ATOM 669 OH TYR A 45 4.135 4.798 -5.475 1.00 0.00 O ATOM 0 H TYR A 45 7.818 -0.165 -3.342 1.00 0.00 H new ATOM 0 HA TYR A 45 5.569 -1.780 -2.312 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.357 0.019 -1.698 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.958 0.657 -1.380 1.00 0.00 H new ATOM 0 HD1 TYR A 45 6.935 2.382 -2.883 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.979 0.921 -3.477 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.438 4.313 -4.316 1.00 0.00 H new ATOM 0 HE2 TYR A 45 2.471 2.864 -4.887 1.00 0.00 H new ATOM 0 HH TYR A 45 3.209 4.738 -5.792 1.00 0.00 H new ATOM 679 N GLN A 46 4.361 -1.769 -4.481 1.00 0.00 N ATOM 680 CA GLN A 46 3.792 -2.004 -5.796 1.00 0.00 C ATOM 681 C GLN A 46 2.359 -1.497 -5.819 1.00 0.00 C ATOM 682 O GLN A 46 1.661 -1.565 -4.808 1.00 0.00 O ATOM 683 CB GLN A 46 3.823 -3.501 -6.120 1.00 0.00 C ATOM 684 CG GLN A 46 3.351 -3.842 -7.523 1.00 0.00 C ATOM 685 CD GLN A 46 3.081 -5.320 -7.705 1.00 0.00 C ATOM 686 OE1 GLN A 46 3.971 -6.084 -8.076 1.00 0.00 O ATOM 687 NE2 GLN A 46 1.850 -5.729 -7.452 1.00 0.00 N ATOM 0 H GLN A 46 3.854 -2.223 -3.721 1.00 0.00 H new ATOM 0 HA GLN A 46 4.378 -1.472 -6.546 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.841 -3.869 -5.991 1.00 0.00 H new ATOM 0 HB3 GLN A 46 3.199 -4.031 -5.400 1.00 0.00 H new ATOM 0 HG2 GLN A 46 2.443 -3.281 -7.743 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.105 -3.523 -8.243 1.00 0.00 H new ATOM 0 HE21 GLN A 46 1.143 -5.060 -7.146 1.00 0.00 H new ATOM 0 HE22 GLN A 46 1.607 -6.713 -7.562 1.00 0.00 H new ATOM 696 N SER A 47 1.927 -0.980 -6.954 1.00 0.00 N ATOM 697 CA SER A 47 0.568 -0.493 -7.096 1.00 0.00 C ATOM 698 C SER A 47 -0.182 -1.307 -8.143 1.00 0.00 C ATOM 699 O SER A 47 0.354 -1.599 -9.213 1.00 0.00 O ATOM 700 CB SER A 47 0.578 0.983 -7.493 1.00 0.00 C ATOM 701 OG SER A 47 1.374 1.732 -6.593 1.00 0.00 O ATOM 0 H SER A 47 2.499 -0.886 -7.793 1.00 0.00 H new ATOM 0 HA SER A 47 0.059 -0.601 -6.138 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.965 1.091 -8.506 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.440 1.372 -7.497 1.00 0.00 H new ATOM 0 HG SER A 47 1.372 2.675 -6.861 1.00 0.00 H new ATOM 707 N PHE A 48 -1.407 -1.691 -7.821 1.00 0.00 N ATOM 708 CA PHE A 48 -2.263 -2.366 -8.778 1.00 0.00 C ATOM 709 C PHE A 48 -3.705 -1.943 -8.562 1.00 0.00 C ATOM 710 O PHE A 48 -4.110 -1.618 -7.443 1.00 0.00 O ATOM 711 CB PHE A 48 -2.114 -3.893 -8.691 1.00 0.00 C ATOM 712 CG PHE A 48 -2.523 -4.503 -7.379 1.00 0.00 C ATOM 713 CD1 PHE A 48 -1.642 -4.542 -6.308 1.00 0.00 C ATOM 714 CD2 PHE A 48 -3.782 -5.061 -7.226 1.00 0.00 C ATOM 715 CE1 PHE A 48 -2.012 -5.124 -5.111 1.00 0.00 C ATOM 716 CE2 PHE A 48 -4.157 -5.641 -6.030 1.00 0.00 C ATOM 717 CZ PHE A 48 -3.270 -5.674 -4.972 1.00 0.00 C ATOM 0 H PHE A 48 -1.829 -1.546 -6.904 1.00 0.00 H new ATOM 0 HA PHE A 48 -1.956 -2.074 -9.782 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -2.708 -4.346 -9.485 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.073 -4.152 -8.885 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -0.656 -4.113 -6.411 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.478 -5.042 -8.052 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.317 -5.149 -4.285 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.143 -6.068 -5.922 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.561 -6.130 -4.037 1.00 0.00 H new ATOM 727 N SER A 49 -4.470 -1.920 -9.638 1.00 0.00 N ATOM 728 CA SER A 49 -5.843 -1.479 -9.564 1.00 0.00 C ATOM 729 C SER A 49 -6.774 -2.657 -9.326 1.00 0.00 C ATOM 730 O SER A 49 -6.724 -3.661 -10.037 1.00 0.00 O ATOM 731 CB SER A 49 -6.236 -0.725 -10.838 1.00 0.00 C ATOM 732 OG SER A 49 -6.049 -1.518 -12.001 1.00 0.00 O ATOM 0 H SER A 49 -4.162 -2.201 -10.569 1.00 0.00 H new ATOM 0 HA SER A 49 -5.938 -0.796 -8.720 1.00 0.00 H new ATOM 0 HB2 SER A 49 -7.280 -0.419 -10.771 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.641 0.185 -10.919 1.00 0.00 H new ATOM 0 HG SER A 49 -6.312 -1.004 -12.793 1.00 0.00 H new ATOM 738 N VAL A 50 -7.612 -2.522 -8.318 1.00 0.00 N ATOM 739 CA VAL A 50 -8.580 -3.545 -7.977 1.00 0.00 C ATOM 740 C VAL A 50 -9.971 -3.038 -8.362 1.00 0.00 C ATOM 741 O VAL A 50 -10.098 -1.928 -8.879 1.00 0.00 O ATOM 742 CB VAL A 50 -8.492 -3.886 -6.463 1.00 0.00 C ATOM 743 CG1 VAL A 50 -8.954 -2.718 -5.604 1.00 0.00 C ATOM 744 CG2 VAL A 50 -9.262 -5.160 -6.126 1.00 0.00 C ATOM 0 H VAL A 50 -7.641 -1.701 -7.713 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.372 -4.464 -8.524 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.442 -4.071 -6.234 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.880 -2.989 -4.551 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.324 -1.850 -5.800 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.989 -2.477 -5.845 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.177 -5.365 -5.059 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.312 -5.030 -6.388 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.848 -5.996 -6.690 1.00 0.00 H new ATOM 754 N SER A 51 -11.006 -3.823 -8.131 1.00 0.00 N ATOM 755 CA SER A 51 -12.347 -3.400 -8.477 1.00 0.00 C ATOM 756 C SER A 51 -13.044 -2.841 -7.241 1.00 0.00 C ATOM 757 CB SER A 51 -13.136 -4.568 -9.069 1.00 0.00 C ATOM 758 OG SER A 51 -12.433 -5.153 -10.159 1.00 0.00 O ATOM 0 H SER A 51 -10.944 -4.749 -7.709 1.00 0.00 H new ATOM 0 HA SER A 51 -12.293 -2.615 -9.231 1.00 0.00 H new ATOM 0 HB2 SER A 51 -13.313 -5.320 -8.300 1.00 0.00 H new ATOM 0 HB3 SER A 51 -14.112 -4.220 -9.405 1.00 0.00 H new ATOM 0 HG SER A 51 -12.954 -5.899 -10.522 1.00 0.00 H new TER 764 SER A 51 HETATM 765 ZN ZN A 101 5.174 -4.783 5.103 1.00 0.00 ZN