USER MOD reduce.3.24.130724 H: found=0, std=0, add=265, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 265 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 30 THR OG1 : rot 26:sc= 0.327 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -28:sc= 0.815 USER MOD Single : A 39 HIS : no HD1:sc= -3.08! C(o=-3.1!,f=-6.3!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -155:sc= -0.177 (180deg=-0.704) USER MOD Single : A 49 GLN : amide:sc= -0.962 X(o=-0.96,f=-1.2) USER MOD Single : A 52 THR OG1 : rot 22:sc= 0.278 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.0174 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 33 N THR A 30 -8.196 -9.331 6.864 1.00 50.00 N ATOM 34 CA THR A 30 -7.512 -10.217 5.879 1.00 50.00 C ATOM 35 C THR A 30 -7.317 -9.477 4.552 1.00 50.00 C ATOM 36 O THR A 30 -8.265 -9.172 3.856 1.00 50.00 O ATOM 37 CB THR A 30 -8.455 -11.406 5.694 1.00 0.00 C ATOM 38 OG1 THR A 30 -8.756 -11.968 6.962 1.00 0.00 O ATOM 39 CG2 THR A 30 -7.784 -12.458 4.811 1.00 0.00 C ATOM 0 HA THR A 30 -6.525 -10.529 6.219 1.00 50.00 H new ATOM 0 HB THR A 30 -9.376 -11.071 5.217 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.663 -11.281 7.655 1.00 0.00 H new ATOM 0 HG21 THR A 30 -8.457 -13.305 4.680 1.00 0.00 H new ATOM 0 HG22 THR A 30 -7.554 -12.023 3.838 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.862 -12.796 5.285 1.00 0.00 H new ATOM 47 N CYS A 31 -6.095 -9.185 4.196 1.00 50.00 N ATOM 48 CA CYS A 31 -5.845 -8.465 2.914 1.00 50.00 C ATOM 49 C CYS A 31 -5.786 -9.458 1.749 1.00 50.00 C ATOM 50 O CYS A 31 -5.587 -9.083 0.610 1.00 50.00 O ATOM 51 CB CYS A 31 -4.492 -7.778 3.107 1.00 0.00 C ATOM 52 SG CYS A 31 -4.687 -6.384 4.244 1.00 0.00 S ATOM 0 H CYS A 31 -5.260 -9.413 4.736 1.00 50.00 H new ATOM 0 HA CYS A 31 -6.635 -7.752 2.678 1.00 50.00 H new ATOM 0 HB2 CYS A 31 -3.765 -8.486 3.503 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.108 -7.429 2.148 1.00 0.00 H new ATOM 57 N LEU A 32 -5.960 -10.721 2.024 1.00 50.00 N ATOM 58 CA LEU A 32 -5.916 -11.734 0.931 1.00 50.00 C ATOM 59 C LEU A 32 -7.090 -11.527 -0.028 1.00 50.00 C ATOM 60 O LEU A 32 -6.934 -11.547 -1.233 1.00 50.00 O ATOM 61 CB LEU A 32 -6.033 -13.086 1.633 1.00 0.00 C ATOM 62 CG LEU A 32 -4.650 -13.531 2.112 1.00 0.00 C ATOM 63 CD1 LEU A 32 -3.692 -13.584 0.921 1.00 0.00 C ATOM 64 CD2 LEU A 32 -4.124 -12.534 3.146 1.00 0.00 C ATOM 0 H LEU A 32 -6.131 -11.096 2.957 1.00 50.00 H new ATOM 0 HA LEU A 32 -5.003 -11.661 0.340 1.00 50.00 H new ATOM 0 HB2 LEU A 32 -6.716 -13.011 2.479 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.450 -13.827 0.951 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.722 -14.520 2.565 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.706 -13.901 1.261 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.067 -14.294 0.184 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.619 -12.595 0.468 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.139 -12.850 3.488 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.051 -11.545 2.694 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.807 -12.495 3.994 1.00 0.00 H new ATOM 76 N LYS A 33 -8.262 -11.325 0.501 1.00 50.00 N ATOM 77 CA LYS A 33 -9.453 -11.113 -0.372 1.00 50.00 C ATOM 78 C LYS A 33 -9.295 -9.820 -1.176 1.00 50.00 C ATOM 79 O LYS A 33 -9.702 -9.731 -2.318 1.00 50.00 O ATOM 80 CB LYS A 33 -10.636 -11.009 0.589 1.00 0.00 C ATOM 81 CG LYS A 33 -10.992 -12.402 1.114 1.00 0.00 C ATOM 82 CD LYS A 33 -12.149 -12.293 2.110 1.00 0.00 C ATOM 83 CE LYS A 33 -12.359 -13.645 2.796 1.00 0.00 C ATOM 84 NZ LYS A 33 -13.437 -13.402 3.796 1.00 0.00 N ATOM 0 H LYS A 33 -8.450 -11.297 1.503 1.00 50.00 H new ATOM 0 HA LYS A 33 -9.586 -11.919 -1.093 1.00 50.00 H new ATOM 0 HB2 LYS A 33 -10.386 -10.349 1.420 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -11.494 -10.570 0.080 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -11.271 -13.054 0.286 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -10.125 -12.853 1.596 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -11.932 -11.526 2.853 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -13.060 -11.989 1.594 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -12.651 -14.412 2.078 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -11.444 -13.991 3.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -13.639 -14.284 4.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -13.128 -12.672 4.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -14.297 -13.080 3.308 1.00 0.00 H new ATOM 98 N SER A 34 -8.708 -8.818 -0.585 1.00 50.00 N ATOM 99 CA SER A 34 -8.522 -7.528 -1.310 1.00 50.00 C ATOM 100 C SER A 34 -7.491 -7.692 -2.430 1.00 50.00 C ATOM 101 O SER A 34 -7.441 -6.911 -3.360 1.00 50.00 O ATOM 102 CB SER A 34 -8.010 -6.552 -0.250 1.00 0.00 C ATOM 103 OG SER A 34 -6.733 -6.975 0.205 1.00 0.00 O ATOM 0 H SER A 34 -8.348 -8.835 0.369 1.00 50.00 H new ATOM 0 HA SER A 34 -9.443 -7.180 -1.777 1.00 50.00 H new ATOM 0 HB2 SER A 34 -7.945 -5.547 -0.667 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.709 -6.506 0.585 1.00 0.00 H new ATOM 0 HG SER A 34 -6.658 -7.948 0.111 1.00 0.00 H new ATOM 109 N GLY A 35 -6.666 -8.700 -2.348 1.00 50.00 N ATOM 110 CA GLY A 35 -5.641 -8.908 -3.409 1.00 50.00 C ATOM 111 C GLY A 35 -4.362 -8.152 -3.039 1.00 50.00 C ATOM 112 O GLY A 35 -3.386 -8.174 -3.762 1.00 50.00 O ATOM 0 H GLY A 35 -6.658 -9.387 -1.594 1.00 50.00 H new ATOM 0 HA2 GLY A 35 -5.428 -9.971 -3.520 1.00 50.00 H new ATOM 0 HA3 GLY A 35 -6.019 -8.556 -4.369 1.00 50.00 H new ATOM 116 N ALA A 36 -4.356 -7.485 -1.916 1.00 50.00 N ATOM 117 CA ALA A 36 -3.137 -6.732 -1.504 1.00 50.00 C ATOM 118 C ALA A 36 -2.091 -7.694 -0.934 1.00 50.00 C ATOM 119 O ALA A 36 -2.416 -8.754 -0.436 1.00 50.00 O ATOM 120 CB ALA A 36 -3.613 -5.763 -0.420 1.00 0.00 C ATOM 0 H ALA A 36 -5.141 -7.429 -1.267 1.00 50.00 H new ATOM 0 HA ALA A 36 -2.673 -6.211 -2.342 1.00 50.00 H new ATOM 0 HB1 ALA A 36 -2.769 -5.171 -0.065 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.373 -5.100 -0.833 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.036 -6.327 0.412 1.00 0.00 H new ATOM 126 N ILE A 37 -0.841 -7.333 -1.001 1.00 50.00 N ATOM 127 CA ILE A 37 0.222 -8.227 -0.459 1.00 50.00 C ATOM 128 C ILE A 37 0.648 -7.746 0.931 1.00 50.00 C ATOM 129 O ILE A 37 0.475 -6.597 1.281 1.00 50.00 O ATOM 130 CB ILE A 37 1.381 -8.107 -1.448 1.00 0.00 C ATOM 131 CG1 ILE A 37 1.950 -6.688 -1.399 1.00 0.00 C ATOM 132 CG2 ILE A 37 0.877 -8.405 -2.862 1.00 0.00 C ATOM 133 CD1 ILE A 37 3.456 -6.751 -1.142 1.00 0.00 C ATOM 0 H ILE A 37 -0.508 -6.459 -1.407 1.00 50.00 H new ATOM 0 HA ILE A 37 -0.114 -9.258 -0.352 1.00 50.00 H new ATOM 0 HB ILE A 37 2.161 -8.820 -1.181 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.752 -6.173 -2.339 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.460 -6.115 -0.612 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.703 -8.320 -3.568 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.472 -9.416 -2.898 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.097 -7.692 -3.128 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.862 -5.740 -1.107 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.642 -7.250 -0.191 1.00 0.00 H new ATOM 0 HD13 ILE A 37 3.939 -7.308 -1.945 1.00 0.00 H new ATOM 145 N CYS A 38 1.203 -8.614 1.728 1.00 50.00 N ATOM 146 CA CYS A 38 1.633 -8.193 3.092 1.00 50.00 C ATOM 147 C CYS A 38 3.159 -8.098 3.157 1.00 50.00 C ATOM 148 O CYS A 38 3.866 -8.880 2.553 1.00 50.00 O ATOM 149 CB CYS A 38 1.116 -9.287 4.025 1.00 0.00 C ATOM 150 SG CYS A 38 -0.692 -9.335 3.944 1.00 0.00 S ATOM 0 H CYS A 38 1.377 -9.592 1.497 1.00 50.00 H new ATOM 0 HA CYS A 38 1.245 -7.212 3.366 1.00 50.00 H new ATOM 0 HB2 CYS A 38 1.530 -10.253 3.737 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.441 -9.093 5.047 1.00 0.00 H new ATOM 155 N HIS A 39 3.672 -7.144 3.885 1.00 50.00 N ATOM 156 CA HIS A 39 5.154 -6.998 3.988 1.00 50.00 C ATOM 157 C HIS A 39 5.623 -7.425 5.382 1.00 50.00 C ATOM 158 O HIS A 39 4.924 -7.229 6.356 1.00 50.00 O ATOM 159 CB HIS A 39 5.423 -5.508 3.755 1.00 0.00 C ATOM 160 CG HIS A 39 6.854 -5.317 3.332 1.00 0.00 C ATOM 161 ND1 HIS A 39 7.811 -4.787 4.182 1.00 0.00 N ATOM 162 CD2 HIS A 39 7.507 -5.585 2.154 1.00 0.00 C ATOM 163 CE1 HIS A 39 8.976 -4.755 3.511 1.00 0.00 C ATOM 164 NE2 HIS A 39 8.847 -5.229 2.269 1.00 0.00 N ATOM 0 H HIS A 39 3.131 -6.459 4.413 1.00 50.00 H new ATOM 0 HA HIS A 39 5.687 -7.620 3.269 1.00 50.00 H new ATOM 0 HB2 HIS A 39 4.751 -5.122 2.988 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.224 -4.945 4.667 1.00 0.00 H new ATOM 0 HD2 HIS A 39 7.050 -6.008 1.272 1.00 0.00 H new ATOM 0 HE1 HIS A 39 9.904 -4.390 3.926 1.00 0.00 H new ATOM 0 HE2 HIS A 39 9.574 -5.312 1.558 1.00 0.00 H new ATOM 172 N PRO A 40 6.794 -8.002 5.431 1.00 50.00 N ATOM 173 CA PRO A 40 7.358 -8.469 6.724 1.00 50.00 C ATOM 174 C PRO A 40 7.703 -7.283 7.629 1.00 50.00 C ATOM 175 O PRO A 40 7.759 -7.410 8.836 1.00 50.00 O ATOM 176 CB PRO A 40 8.616 -9.230 6.310 1.00 0.00 C ATOM 177 CG PRO A 40 8.990 -8.651 4.983 1.00 0.00 C ATOM 178 CD PRO A 40 7.700 -8.271 4.307 1.00 0.00 C ATOM 0 HA PRO A 40 6.662 -9.083 7.296 1.00 50.00 H new ATOM 0 HB2 PRO A 40 9.416 -9.099 7.039 1.00 0.00 H new ATOM 0 HB3 PRO A 40 8.425 -10.300 6.235 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.635 -7.781 5.107 1.00 0.00 H new ATOM 0 HG3 PRO A 40 9.543 -9.375 4.385 1.00 0.00 H new ATOM 0 HD2 PRO A 40 7.823 -7.394 3.671 1.00 0.00 H new ATOM 0 HD3 PRO A 40 7.326 -9.075 3.673 1.00 0.00 H new ATOM 186 N VAL A 41 7.933 -6.130 7.061 1.00 50.00 N ATOM 187 CA VAL A 41 8.272 -4.945 7.901 1.00 50.00 C ATOM 188 C VAL A 41 7.210 -3.849 7.739 1.00 50.00 C ATOM 189 O VAL A 41 6.251 -3.791 8.480 1.00 50.00 O ATOM 190 CB VAL A 41 9.632 -4.465 7.390 1.00 0.00 C ATOM 191 CG1 VAL A 41 10.070 -3.237 8.187 1.00 0.00 C ATOM 192 CG2 VAL A 41 10.665 -5.580 7.564 1.00 0.00 C ATOM 0 H VAL A 41 7.901 -5.957 6.056 1.00 50.00 H new ATOM 0 HA VAL A 41 8.304 -5.192 8.962 1.00 50.00 H new ATOM 0 HB VAL A 41 9.553 -4.205 6.334 1.00 0.00 H new ATOM 0 HG11 VAL A 41 11.039 -2.894 7.824 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.334 -2.442 8.064 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.150 -3.498 9.242 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.634 -5.238 7.200 1.00 0.00 H new ATOM 0 HG22 VAL A 41 10.745 -5.840 8.619 1.00 0.00 H new ATOM 0 HG23 VAL A 41 10.353 -6.457 6.997 1.00 0.00 H new ATOM 202 N PHE A 42 7.376 -2.977 6.780 1.00 50.00 N ATOM 203 CA PHE A 42 6.375 -1.888 6.583 1.00 50.00 C ATOM 204 C PHE A 42 6.131 -1.660 5.089 1.00 50.00 C ATOM 205 O PHE A 42 6.999 -1.885 4.269 1.00 50.00 O ATOM 206 CB PHE A 42 7.012 -0.649 7.215 1.00 0.00 C ATOM 207 CG PHE A 42 8.214 -0.231 6.399 1.00 0.00 C ATOM 208 CD1 PHE A 42 8.035 0.403 5.164 1.00 0.00 C ATOM 209 CD2 PHE A 42 9.506 -0.481 6.876 1.00 0.00 C ATOM 210 CE1 PHE A 42 9.147 0.788 4.406 1.00 0.00 C ATOM 211 CE2 PHE A 42 10.618 -0.097 6.119 1.00 0.00 C ATOM 212 CZ PHE A 42 10.439 0.538 4.884 1.00 0.00 C ATOM 0 H PHE A 42 8.159 -2.971 6.126 1.00 50.00 H new ATOM 0 HA PHE A 42 5.410 -2.126 7.031 1.00 50.00 H new ATOM 0 HB2 PHE A 42 6.287 0.164 7.258 1.00 0.00 H new ATOM 0 HB3 PHE A 42 7.312 -0.864 8.241 1.00 0.00 H new ATOM 0 HD1 PHE A 42 7.038 0.595 4.796 1.00 0.00 H new ATOM 0 HD2 PHE A 42 9.644 -0.970 7.829 1.00 0.00 H new ATOM 0 HE1 PHE A 42 9.008 1.277 3.453 1.00 0.00 H new ATOM 0 HE2 PHE A 42 11.615 -0.290 6.487 1.00 0.00 H new ATOM 0 HZ PHE A 42 11.298 0.835 4.300 1.00 0.00 H new ATOM 222 N CYS A 43 4.959 -1.211 4.726 1.00 50.00 N ATOM 223 CA CYS A 43 4.674 -0.968 3.282 1.00 50.00 C ATOM 224 C CYS A 43 5.621 0.106 2.736 1.00 50.00 C ATOM 225 O CYS A 43 5.676 1.204 3.255 1.00 50.00 O ATOM 226 CB CYS A 43 3.228 -0.474 3.235 1.00 0.00 C ATOM 227 SG CYS A 43 2.126 -1.752 3.890 1.00 0.00 S ATOM 0 H CYS A 43 4.190 -1.003 5.363 1.00 50.00 H new ATOM 0 HA CYS A 43 4.816 -1.864 2.678 1.00 50.00 H new ATOM 0 HB2 CYS A 43 3.127 0.441 3.818 1.00 0.00 H new ATOM 0 HB3 CYS A 43 2.950 -0.231 2.210 1.00 0.00 H new ATOM 232 N PRO A 44 6.333 -0.248 1.702 1.00 50.00 N ATOM 233 CA PRO A 44 7.288 0.700 1.072 1.00 50.00 C ATOM 234 C PRO A 44 6.540 1.824 0.352 1.00 50.00 C ATOM 235 O PRO A 44 5.370 2.057 0.582 1.00 50.00 O ATOM 236 CB PRO A 44 8.056 -0.169 0.080 1.00 0.00 C ATOM 237 CG PRO A 44 7.132 -1.302 -0.224 1.00 0.00 C ATOM 238 CD PRO A 44 6.322 -1.548 1.022 1.00 0.00 C ATOM 0 HA PRO A 44 7.940 1.191 1.795 1.00 50.00 H new ATOM 0 HB2 PRO A 44 8.309 0.388 -0.822 1.00 0.00 H new ATOM 0 HB3 PRO A 44 8.993 -0.526 0.508 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.483 -1.057 -1.065 1.00 0.00 H new ATOM 0 HG3 PRO A 44 7.693 -2.194 -0.503 1.00 0.00 H new ATOM 0 HD2 PRO A 44 5.307 -1.868 0.784 1.00 0.00 H new ATOM 0 HD3 PRO A 44 6.765 -2.328 1.641 1.00 0.00 H new ATOM 246 N ARG A 45 7.215 2.523 -0.516 1.00 50.00 N ATOM 247 CA ARG A 45 6.555 3.641 -1.255 1.00 50.00 C ATOM 248 C ARG A 45 5.629 3.090 -2.340 1.00 50.00 C ATOM 249 O ARG A 45 4.529 3.566 -2.533 1.00 50.00 O ATOM 250 CB ARG A 45 7.701 4.438 -1.882 1.00 0.00 C ATOM 251 CG ARG A 45 7.126 5.594 -2.708 1.00 0.00 C ATOM 252 CD ARG A 45 8.265 6.374 -3.371 1.00 0.00 C ATOM 253 NE ARG A 45 7.586 7.418 -4.190 1.00 0.00 N ATOM 254 CZ ARG A 45 8.251 8.464 -4.600 1.00 0.00 C ATOM 255 NH1 ARG A 45 8.503 8.619 -5.871 1.00 0.00 N ATOM 256 NH2 ARG A 45 8.662 9.355 -3.739 1.00 0.00 N ATOM 0 H ARG A 45 8.197 2.370 -0.748 1.00 50.00 H new ATOM 0 HA ARG A 45 5.941 4.258 -0.599 1.00 50.00 H new ATOM 0 HB2 ARG A 45 8.358 4.825 -1.103 1.00 0.00 H new ATOM 0 HB3 ARG A 45 8.305 3.789 -2.516 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.447 5.208 -3.468 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.544 6.256 -2.067 1.00 0.00 H new ATOM 0 HD2 ARG A 45 8.923 6.822 -2.627 1.00 0.00 H new ATOM 0 HD3 ARG A 45 8.881 5.723 -3.992 1.00 0.00 H new ATOM 0 HE ARG A 45 6.600 7.315 -4.431 1.00 0.00 H new ATOM 0 HH11 ARG A 45 8.180 7.923 -6.543 1.00 0.00 H new ATOM 0 HH12 ARG A 45 9.022 9.436 -6.192 1.00 0.00 H new ATOM 0 HH21 ARG A 45 8.464 9.234 -2.746 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.182 10.172 -4.059 1.00 0.00 H new ATOM 270 N ARG A 46 6.067 2.089 -3.046 1.00 50.00 N ATOM 271 CA ARG A 46 5.214 1.507 -4.120 1.00 50.00 C ATOM 272 C ARG A 46 3.927 0.933 -3.521 1.00 50.00 C ATOM 273 O ARG A 46 2.898 0.890 -4.164 1.00 50.00 O ATOM 274 CB ARG A 46 6.060 0.390 -4.737 1.00 0.00 C ATOM 275 CG ARG A 46 7.186 1.002 -5.574 1.00 0.00 C ATOM 276 CD ARG A 46 6.590 1.685 -6.806 1.00 0.00 C ATOM 277 NE ARG A 46 7.766 2.170 -7.583 1.00 0.00 N ATOM 278 CZ ARG A 46 8.314 3.316 -7.287 1.00 0.00 C ATOM 279 NH1 ARG A 46 9.455 3.350 -6.654 1.00 0.00 N ATOM 280 NH2 ARG A 46 7.723 4.429 -7.625 1.00 0.00 N ATOM 0 H ARG A 46 6.979 1.647 -2.927 1.00 50.00 H new ATOM 0 HA ARG A 46 4.917 2.251 -4.859 1.00 50.00 H new ATOM 0 HB2 ARG A 46 6.478 -0.240 -3.952 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.436 -0.250 -5.361 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.745 1.724 -4.979 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.890 0.227 -5.879 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.989 0.989 -7.392 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.936 2.510 -6.523 1.00 0.00 H new ATOM 0 HE ARG A 46 8.142 1.606 -8.345 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.918 2.480 -6.391 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.883 4.246 -6.423 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.832 4.403 -8.121 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.152 5.325 -7.393 1.00 0.00 H new ATOM 294 N TYR A 47 3.976 0.491 -2.295 1.00 50.00 N ATOM 295 CA TYR A 47 2.755 -0.085 -1.660 1.00 50.00 C ATOM 296 C TYR A 47 2.272 0.804 -0.508 1.00 50.00 C ATOM 297 O TYR A 47 3.022 1.582 0.048 1.00 50.00 O ATOM 298 CB TYR A 47 3.192 -1.443 -1.115 1.00 0.00 C ATOM 299 CG TYR A 47 3.583 -2.359 -2.251 1.00 0.00 C ATOM 300 CD1 TYR A 47 4.736 -2.097 -3.003 1.00 0.00 C ATOM 301 CD2 TYR A 47 2.798 -3.480 -2.543 1.00 0.00 C ATOM 302 CE1 TYR A 47 5.100 -2.957 -4.047 1.00 0.00 C ATOM 303 CE2 TYR A 47 3.160 -4.338 -3.587 1.00 0.00 C ATOM 304 CZ TYR A 47 4.313 -4.078 -4.339 1.00 0.00 C ATOM 305 OH TYR A 47 4.672 -4.926 -5.367 1.00 0.00 O ATOM 0 H TYR A 47 4.808 0.503 -1.705 1.00 50.00 H new ATOM 0 HA TYR A 47 1.933 -0.165 -2.371 1.00 50.00 H new ATOM 0 HB2 TYR A 47 4.034 -1.316 -0.434 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.381 -1.890 -0.540 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.343 -1.233 -2.778 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.911 -3.683 -1.961 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.988 -2.755 -4.627 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.551 -5.201 -3.813 1.00 0.00 H new ATOM 0 HH TYR A 47 4.019 -5.653 -5.434 1.00 0.00 H new ATOM 315 N LYS A 48 1.027 0.676 -0.135 1.00 50.00 N ATOM 316 CA LYS A 48 0.493 1.494 0.992 1.00 50.00 C ATOM 317 C LYS A 48 -0.013 0.567 2.100 1.00 50.00 C ATOM 318 O LYS A 48 -0.520 -0.505 1.839 1.00 50.00 O ATOM 319 CB LYS A 48 -0.659 2.303 0.395 1.00 0.00 C ATOM 320 CG LYS A 48 -1.793 1.361 -0.007 1.00 0.00 C ATOM 321 CD LYS A 48 -2.917 2.171 -0.657 1.00 0.00 C ATOM 322 CE LYS A 48 -3.563 3.079 0.391 1.00 0.00 C ATOM 323 NZ LYS A 48 -4.383 2.163 1.235 1.00 0.00 N ATOM 0 H LYS A 48 0.355 0.039 -0.563 1.00 50.00 H new ATOM 0 HA LYS A 48 1.249 2.145 1.432 1.00 50.00 H new ATOM 0 HB2 LYS A 48 -1.019 3.032 1.121 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.312 2.862 -0.474 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.425 0.606 -0.701 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.170 0.832 0.869 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.521 2.769 -1.478 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.664 1.501 -1.083 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.809 3.596 0.985 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.181 3.845 -0.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.157 2.698 1.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.780 1.406 0.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.785 1.744 1.975 1.00 0.00 H new ATOM 337 N GLN A 49 0.127 0.964 3.335 1.00 50.00 N ATOM 338 CA GLN A 49 -0.341 0.091 4.453 1.00 50.00 C ATOM 339 C GLN A 49 -1.799 0.398 4.806 1.00 50.00 C ATOM 340 O GLN A 49 -2.095 1.380 5.456 1.00 50.00 O ATOM 341 CB GLN A 49 0.576 0.430 5.628 1.00 0.00 C ATOM 342 CG GLN A 49 0.293 -0.530 6.786 1.00 0.00 C ATOM 343 CD GLN A 49 1.351 -0.339 7.875 1.00 0.00 C ATOM 344 OE1 GLN A 49 1.987 0.694 7.946 1.00 0.00 O ATOM 345 NE2 GLN A 49 1.567 -1.300 8.732 1.00 0.00 N ATOM 0 H GLN A 49 0.543 1.851 3.619 1.00 50.00 H new ATOM 0 HA GLN A 49 -0.300 -0.966 4.190 1.00 50.00 H new ATOM 0 HB2 GLN A 49 1.620 0.352 5.323 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.412 1.460 5.946 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.701 -0.344 7.193 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.304 -1.560 6.430 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.033 -2.167 8.672 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.270 -1.184 9.462 1.00 0.00 H new ATOM 354 N ILE A 50 -2.711 -0.440 4.393 1.00 50.00 N ATOM 355 CA ILE A 50 -4.144 -0.195 4.720 1.00 50.00 C ATOM 356 C ILE A 50 -4.365 -0.369 6.225 1.00 50.00 C ATOM 357 O ILE A 50 -5.234 0.245 6.812 1.00 50.00 O ATOM 358 CB ILE A 50 -4.923 -1.258 3.945 1.00 0.00 C ATOM 359 CG1 ILE A 50 -4.686 -1.080 2.444 1.00 0.00 C ATOM 360 CG2 ILE A 50 -6.415 -1.108 4.247 1.00 0.00 C ATOM 361 CD1 ILE A 50 -5.235 -2.299 1.697 1.00 0.00 C ATOM 0 H ILE A 50 -2.526 -1.280 3.845 1.00 50.00 H new ATOM 0 HA ILE A 50 -4.463 0.813 4.454 1.00 50.00 H new ATOM 0 HB ILE A 50 -4.584 -2.249 4.246 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -5.176 -0.172 2.092 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.621 -0.966 2.243 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.975 -1.864 3.697 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.585 -1.237 5.316 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.750 -0.116 3.944 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.068 -2.176 0.627 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.725 -3.198 2.043 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -6.304 -2.392 1.889 1.00 0.00 H new ATOM 373 N GLY A 51 -3.584 -1.208 6.850 1.00 50.00 N ATOM 374 CA GLY A 51 -3.741 -1.432 8.314 1.00 50.00 C ATOM 375 C GLY A 51 -2.839 -2.591 8.746 1.00 50.00 C ATOM 376 O GLY A 51 -1.668 -2.411 9.015 1.00 50.00 O ATOM 0 H GLY A 51 -2.842 -1.749 6.407 1.00 50.00 H new ATOM 0 HA2 GLY A 51 -3.479 -0.527 8.863 1.00 50.00 H new ATOM 0 HA3 GLY A 51 -4.781 -1.657 8.550 1.00 50.00 H new ATOM 380 N THR A 52 -3.373 -3.780 8.812 1.00 50.00 N ATOM 381 CA THR A 52 -2.542 -4.948 9.225 1.00 50.00 C ATOM 382 C THR A 52 -2.964 -6.202 8.450 1.00 50.00 C ATOM 383 O THR A 52 -4.135 -6.500 8.321 1.00 50.00 O ATOM 384 CB THR A 52 -2.822 -5.126 10.718 1.00 0.00 C ATOM 385 OG1 THR A 52 -4.216 -5.320 10.917 1.00 0.00 O ATOM 386 CG2 THR A 52 -2.364 -3.879 11.478 1.00 0.00 C ATOM 0 H THR A 52 -4.347 -3.994 8.598 1.00 50.00 H new ATOM 0 HA THR A 52 -1.483 -4.790 9.023 1.00 50.00 H new ATOM 0 HB THR A 52 -2.277 -5.994 11.089 1.00 0.00 H new ATOM 0 HG1 THR A 52 -4.624 -5.641 10.086 1.00 0.00 H new ATOM 0 HG21 THR A 52 -2.564 -4.007 12.542 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.295 -3.732 11.325 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.906 -3.008 11.109 1.00 0.00 H new ATOM 394 N CYS A 53 -2.017 -6.945 7.939 1.00 50.00 N ATOM 395 CA CYS A 53 -2.365 -8.182 7.183 1.00 50.00 C ATOM 396 C CYS A 53 -3.251 -9.077 8.043 1.00 50.00 C ATOM 397 O CYS A 53 -4.231 -9.633 7.589 1.00 50.00 O ATOM 398 CB CYS A 53 -1.026 -8.865 6.918 1.00 0.00 C ATOM 399 SG CYS A 53 -1.246 -10.180 5.693 1.00 0.00 S ATOM 0 H CYS A 53 -1.019 -6.748 8.013 1.00 50.00 H new ATOM 0 HA CYS A 53 -2.909 -7.972 6.262 1.00 50.00 H new ATOM 0 HB2 CYS A 53 -0.300 -8.136 6.558 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -0.628 -9.280 7.844 1.00 0.00 H new ATOM 404 N GLY A 54 -2.900 -9.218 9.286 1.00 50.00 N ATOM 405 CA GLY A 54 -3.699 -10.073 10.208 1.00 50.00 C ATOM 406 C GLY A 54 -2.777 -10.604 11.303 1.00 50.00 C ATOM 407 O GLY A 54 -3.205 -10.933 12.391 1.00 50.00 O ATOM 0 H GLY A 54 -2.085 -8.774 9.710 1.00 50.00 H new ATOM 0 HA2 GLY A 54 -4.514 -9.497 10.646 1.00 50.00 H new ATOM 0 HA3 GLY A 54 -4.151 -10.900 9.660 1.00 50.00 H new ATOM 411 N LEU A 55 -1.508 -10.681 11.019 1.00 50.00 N ATOM 412 CA LEU A 55 -0.539 -11.179 12.032 1.00 50.00 C ATOM 413 C LEU A 55 0.521 -10.105 12.292 1.00 50.00 C ATOM 414 O LEU A 55 0.935 -9.415 11.382 1.00 50.00 O ATOM 415 CB LEU A 55 0.088 -12.420 11.393 1.00 0.00 C ATOM 416 CG LEU A 55 0.884 -13.193 12.446 1.00 0.00 C ATOM 417 CD1 LEU A 55 -0.084 -13.920 13.382 1.00 0.00 C ATOM 418 CD2 LEU A 55 1.789 -14.217 11.755 1.00 0.00 C ATOM 0 H LEU A 55 -1.098 -10.419 10.123 1.00 50.00 H new ATOM 0 HA LEU A 55 -1.004 -11.411 12.990 1.00 50.00 H new ATOM 0 HB2 LEU A 55 -0.690 -13.056 10.971 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.741 -12.127 10.571 1.00 0.00 H new ATOM 0 HG LEU A 55 1.496 -12.498 13.021 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.481 -14.472 14.133 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.729 -13.193 13.875 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.695 -14.615 12.805 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.356 -14.767 12.506 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.178 -14.913 11.180 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.478 -13.701 11.087 1.00 0.00 H new ATOM 430 N PRO A 56 0.926 -9.996 13.528 1.00 50.00 N ATOM 431 CA PRO A 56 1.950 -8.988 13.903 1.00 50.00 C ATOM 432 C PRO A 56 3.304 -9.341 13.277 1.00 50.00 C ATOM 433 O PRO A 56 4.256 -8.590 13.370 1.00 50.00 O ATOM 434 CB PRO A 56 1.997 -9.075 15.427 1.00 0.00 C ATOM 435 CG PRO A 56 1.500 -10.448 15.744 1.00 0.00 C ATOM 436 CD PRO A 56 0.485 -10.787 14.683 1.00 0.00 C ATOM 0 HA PRO A 56 1.716 -7.983 13.552 1.00 50.00 H new ATOM 0 HB2 PRO A 56 3.010 -8.924 15.801 1.00 0.00 H new ATOM 0 HB3 PRO A 56 1.370 -8.311 15.887 1.00 0.00 H new ATOM 0 HG2 PRO A 56 2.319 -11.168 15.743 1.00 0.00 H new ATOM 0 HG3 PRO A 56 1.050 -10.479 16.736 1.00 0.00 H new ATOM 0 HD2 PRO A 56 0.477 -11.854 14.460 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.525 -10.518 14.992 1.00 0.00 H new ATOM 444 N GLY A 57 3.393 -10.472 12.630 1.00 50.00 N ATOM 445 CA GLY A 57 4.679 -10.867 11.989 1.00 50.00 C ATOM 446 C GLY A 57 4.824 -10.136 10.650 1.00 50.00 C ATOM 447 O GLY A 57 5.920 -9.884 10.187 1.00 50.00 O ATOM 0 H GLY A 57 2.630 -11.139 12.518 1.00 50.00 H new ATOM 0 HA2 GLY A 57 5.515 -10.621 12.643 1.00 50.00 H new ATOM 0 HA3 GLY A 57 4.704 -11.945 11.832 1.00 50.00 H new ATOM 451 N THR A 58 3.729 -9.793 10.025 1.00 50.00 N ATOM 452 CA THR A 58 3.807 -9.077 8.718 1.00 50.00 C ATOM 453 C THR A 58 2.783 -7.942 8.669 1.00 50.00 C ATOM 454 O THR A 58 1.822 -7.923 9.414 1.00 50.00 O ATOM 455 CB THR A 58 3.474 -10.131 7.661 1.00 0.00 C ATOM 456 OG1 THR A 58 4.104 -11.359 8.000 1.00 0.00 O ATOM 457 CG2 THR A 58 3.974 -9.660 6.295 1.00 0.00 C ATOM 0 H THR A 58 2.784 -9.978 10.363 1.00 50.00 H new ATOM 0 HA THR A 58 4.789 -8.631 8.558 1.00 50.00 H new ATOM 0 HB THR A 58 2.394 -10.276 7.621 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.889 -12.035 7.323 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.737 -10.411 5.542 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.489 -8.719 6.035 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.053 -9.513 6.333 1.00 0.00 H new ATOM 465 N LYS A 59 2.980 -7.004 7.788 1.00 50.00 N ATOM 466 CA LYS A 59 2.019 -5.873 7.672 1.00 50.00 C ATOM 467 C LYS A 59 1.300 -5.948 6.321 1.00 50.00 C ATOM 468 O LYS A 59 1.798 -6.524 5.376 1.00 50.00 O ATOM 469 CB LYS A 59 2.878 -4.610 7.763 1.00 0.00 C ATOM 470 CG LYS A 59 3.524 -4.533 9.150 1.00 0.00 C ATOM 471 CD LYS A 59 2.445 -4.265 10.203 1.00 0.00 C ATOM 472 CE LYS A 59 3.082 -4.227 11.594 1.00 0.00 C ATOM 473 NZ LYS A 59 1.990 -3.773 12.501 1.00 0.00 N ATOM 0 H LYS A 59 3.768 -6.971 7.141 1.00 50.00 H new ATOM 0 HA LYS A 59 1.252 -5.890 8.446 1.00 50.00 H new ATOM 0 HB2 LYS A 59 3.648 -4.624 6.991 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.265 -3.726 7.586 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.042 -5.466 9.374 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.272 -3.740 9.171 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.947 -3.318 9.994 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.682 -5.043 10.163 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.455 -5.209 11.885 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.930 -3.543 11.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.348 -3.721 13.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.659 -2.833 12.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.200 -4.448 12.458 1.00 0.00 H new ATOM 487 N CYS A 60 0.129 -5.385 6.227 1.00 50.00 N ATOM 488 CA CYS A 60 -0.620 -5.444 4.940 1.00 50.00 C ATOM 489 C CYS A 60 -0.198 -4.304 4.010 1.00 50.00 C ATOM 490 O CYS A 60 -0.159 -3.154 4.397 1.00 50.00 O ATOM 491 CB CYS A 60 -2.088 -5.296 5.336 1.00 0.00 C ATOM 492 SG CYS A 60 -3.108 -5.191 3.844 1.00 0.00 S ATOM 0 H CYS A 60 -0.342 -4.888 6.983 1.00 50.00 H new ATOM 0 HA CYS A 60 -0.428 -6.370 4.398 1.00 50.00 H new ATOM 0 HB2 CYS A 60 -2.399 -6.146 5.943 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.223 -4.402 5.945 1.00 0.00 H new ATOM 497 N CYS A 61 0.105 -4.619 2.779 1.00 50.00 N ATOM 498 CA CYS A 61 0.516 -3.563 1.808 1.00 50.00 C ATOM 499 C CYS A 61 -0.230 -3.773 0.485 1.00 50.00 C ATOM 500 O CYS A 61 -0.248 -4.857 -0.060 1.00 50.00 O ATOM 501 CB CYS A 61 2.021 -3.757 1.616 1.00 0.00 C ATOM 502 SG CYS A 61 2.882 -3.487 3.186 1.00 0.00 S ATOM 0 H CYS A 61 0.085 -5.567 2.402 1.00 50.00 H new ATOM 0 HA CYS A 61 0.286 -2.557 2.158 1.00 50.00 H new ATOM 0 HB2 CYS A 61 2.223 -4.763 1.249 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.393 -3.062 0.863 1.00 0.00 H new ATOM 507 N LYS A 62 -0.856 -2.752 -0.030 1.00 50.00 N ATOM 508 CA LYS A 62 -1.611 -2.914 -1.306 1.00 50.00 C ATOM 509 C LYS A 62 -0.911 -2.188 -2.458 1.00 50.00 C ATOM 510 O LYS A 62 -0.290 -1.160 -2.275 1.00 50.00 O ATOM 511 CB LYS A 62 -2.973 -2.279 -1.032 1.00 0.00 C ATOM 512 CG LYS A 62 -3.906 -2.533 -2.216 1.00 0.00 C ATOM 513 CD LYS A 62 -5.322 -2.093 -1.842 1.00 0.00 C ATOM 514 CE LYS A 62 -6.275 -2.408 -2.995 1.00 0.00 C ATOM 515 NZ LYS A 62 -7.603 -1.911 -2.536 1.00 0.00 N ATOM 0 H LYS A 62 -0.878 -1.816 0.374 1.00 50.00 H new ATOM 0 HA LYS A 62 -1.686 -3.960 -1.602 1.00 50.00 H new ATOM 0 HB2 LYS A 62 -3.403 -2.696 -0.121 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.859 -1.207 -0.869 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.560 -1.983 -3.091 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.898 -3.590 -2.480 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -5.647 -2.607 -0.937 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.337 -1.025 -1.625 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.963 -1.912 -3.914 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.303 -3.477 -3.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -8.314 -2.090 -3.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.876 -2.406 -1.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -7.546 -0.889 -2.351 1.00 0.00 H new ATOM 529 N LYS A 63 -1.021 -2.713 -3.649 1.00 50.00 N ATOM 530 CA LYS A 63 -0.379 -2.053 -4.820 1.00 50.00 C ATOM 531 C LYS A 63 -1.306 -0.966 -5.371 1.00 50.00 C ATOM 532 O LYS A 63 -2.508 -1.032 -5.205 1.00 50.00 O ATOM 533 CB LYS A 63 -0.186 -3.168 -5.850 1.00 0.00 C ATOM 534 CG LYS A 63 0.943 -4.097 -5.394 1.00 0.00 C ATOM 535 CD LYS A 63 1.061 -5.272 -6.367 1.00 0.00 C ATOM 536 CE LYS A 63 -0.059 -6.278 -6.092 1.00 0.00 C ATOM 537 NZ LYS A 63 0.159 -7.371 -7.081 1.00 0.00 N ATOM 0 H LYS A 63 -1.529 -3.572 -3.861 1.00 50.00 H new ATOM 0 HA LYS A 63 0.566 -1.574 -4.564 1.00 50.00 H new ATOM 0 HB2 LYS A 63 -1.111 -3.733 -5.967 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.052 -2.740 -6.824 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.885 -3.549 -5.352 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.743 -4.463 -4.387 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.999 -4.914 -7.395 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.032 -5.754 -6.256 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.011 -6.654 -5.070 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.041 -5.821 -6.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.570 -8.102 -6.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.101 -6.984 -8.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.099 -7.791 -6.933 1.00 0.00 H new