USER MOD reduce.3.24.130724 H: found=0, std=0, add=250, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 250 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 21 HIS HE2 : A 21 HIS NE2 : A 31 ZNZN :(H bumps) USER MOD NoAdj-H: A 26 HIS HE2 : A 26 HIS NE2 : A 31 ZNZN :(H bumps) USER MOD Set 1.1: A 15 SER OG : rot 178:sc= 0.477 USER MOD Set 1.2: A 19 LYS NZ :NH3+ 143:sc= 0.474 (180deg=-0.399) USER MOD Set 2.1: A 4 GLN :FLIP amide:sc= -4.74 F(o=-9.2!,f=-7.9) USER MOD Set 2.2: A 6 GLN :FLIP amide:sc= -3.19 F(o=-13!,f=-7.9) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 166:sc= -0.446 (180deg=-0.641) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.206 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -142:sc= 0.213 USER MOD Single : A 16 SER OG : rot 99:sc= 0.411 USER MOD Single : A 17 ASN :FLIP amide:sc= -0.0117 F(o=-0.97,f=-0.012) USER MOD Single : A 20 THR OG1 : rot -43:sc= 0.756 USER MOD Single : A 23 LYS NZ :NH3+ -167:sc= -0.0241 (180deg=-0.271) USER MOD Single : A 24 THR OG1 : rot -50:sc= 1.05 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot -53:sc= 1.3 USER MOD Single : A 28 LYS NZ :NH3+ -159:sc= -0.0901 (180deg=-0.548) USER MOD Single : A 30 LYS NZ :NH3+ -134:sc= -0.624 (180deg=-0.886) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -12.465 6.900 -5.348 1.00 0.00 N ATOM 2 CA LYS A 1 -12.836 7.918 -4.321 1.00 0.00 C ATOM 3 C LYS A 1 -11.591 8.191 -3.462 1.00 0.00 C ATOM 4 O LYS A 1 -11.114 9.306 -3.374 1.00 0.00 O ATOM 5 CB LYS A 1 -13.983 7.373 -3.434 1.00 0.00 C ATOM 6 CG LYS A 1 -14.532 8.498 -2.527 1.00 0.00 C ATOM 7 CD LYS A 1 -15.582 7.923 -1.541 1.00 0.00 C ATOM 8 CE LYS A 1 -15.008 7.871 -0.105 1.00 0.00 C ATOM 9 NZ LYS A 1 -13.773 7.030 -0.048 1.00 0.00 N ATOM 0 H1 LYS A 1 -13.290 6.694 -5.947 1.00 0.00 H new ATOM 0 H2 LYS A 1 -11.692 7.268 -5.939 1.00 0.00 H new ATOM 0 H3 LYS A 1 -12.154 6.027 -4.875 1.00 0.00 H new ATOM 0 HA LYS A 1 -13.177 8.837 -4.797 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -14.782 6.978 -4.061 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -13.620 6.547 -2.823 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -13.715 8.960 -1.972 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -14.985 9.280 -3.137 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -16.481 8.540 -1.557 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -15.877 6.922 -1.857 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -14.780 8.881 0.235 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -15.758 7.467 0.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -13.279 7.199 0.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -14.034 6.026 -0.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -13.146 7.280 -0.839 1.00 0.00 H new ATOM 25 N THR A 2 -11.117 7.132 -2.857 1.00 0.00 N ATOM 26 CA THR A 2 -9.912 7.177 -1.975 1.00 0.00 C ATOM 27 C THR A 2 -8.850 6.279 -2.629 1.00 0.00 C ATOM 28 O THR A 2 -8.973 5.903 -3.779 1.00 0.00 O ATOM 29 CB THR A 2 -10.329 6.665 -0.556 1.00 0.00 C ATOM 30 OG1 THR A 2 -9.199 6.793 0.299 1.00 0.00 O ATOM 31 CG2 THR A 2 -10.720 5.169 -0.552 1.00 0.00 C ATOM 0 H THR A 2 -11.532 6.204 -2.942 1.00 0.00 H new ATOM 0 HA THR A 2 -9.505 8.181 -1.858 1.00 0.00 H new ATOM 0 HB THR A 2 -11.189 7.251 -0.233 1.00 0.00 H new ATOM 0 HG1 THR A 2 -9.432 6.480 1.198 1.00 0.00 H new ATOM 0 HG21 THR A 2 -11.000 4.869 0.458 1.00 0.00 H new ATOM 0 HG22 THR A 2 -11.563 5.012 -1.224 1.00 0.00 H new ATOM 0 HG23 THR A 2 -9.873 4.571 -0.887 1.00 0.00 H new ATOM 39 N TYR A 3 -7.843 5.973 -1.862 1.00 0.00 N ATOM 40 CA TYR A 3 -6.722 5.109 -2.338 1.00 0.00 C ATOM 41 C TYR A 3 -6.630 3.869 -1.449 1.00 0.00 C ATOM 42 O TYR A 3 -6.400 3.964 -0.260 1.00 0.00 O ATOM 43 CB TYR A 3 -5.412 5.919 -2.282 1.00 0.00 C ATOM 44 CG TYR A 3 -5.422 6.985 -3.391 1.00 0.00 C ATOM 45 CD1 TYR A 3 -6.222 8.110 -3.315 1.00 0.00 C ATOM 46 CD2 TYR A 3 -4.619 6.814 -4.499 1.00 0.00 C ATOM 47 CE1 TYR A 3 -6.218 9.047 -4.330 1.00 0.00 C ATOM 48 CE2 TYR A 3 -4.614 7.747 -5.511 1.00 0.00 C ATOM 49 CZ TYR A 3 -5.410 8.869 -5.435 1.00 0.00 C ATOM 50 OH TYR A 3 -5.391 9.791 -6.462 1.00 0.00 O ATOM 0 H TYR A 3 -7.746 6.293 -0.899 1.00 0.00 H new ATOM 0 HA TYR A 3 -6.897 4.788 -3.365 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -5.307 6.394 -1.307 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -4.556 5.256 -2.407 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -6.856 8.258 -2.454 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -3.988 5.940 -4.573 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -6.849 9.921 -4.259 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -3.980 7.598 -6.373 1.00 0.00 H new ATOM 0 HH TYR A 3 -4.761 9.498 -7.153 1.00 0.00 H new ATOM 60 N GLN A 4 -6.822 2.733 -2.069 1.00 0.00 N ATOM 61 CA GLN A 4 -6.763 1.432 -1.335 1.00 0.00 C ATOM 62 C GLN A 4 -5.536 0.687 -1.901 1.00 0.00 C ATOM 63 O GLN A 4 -5.118 0.926 -3.018 1.00 0.00 O ATOM 64 CB GLN A 4 -8.130 0.727 -1.606 1.00 0.00 C ATOM 65 CG GLN A 4 -8.430 -0.394 -0.580 1.00 0.00 C ATOM 66 CD GLN A 4 -7.644 -1.670 -0.867 1.00 0.00 C ATOM 67 OE1 GLN A 4 -6.671 -1.991 -0.070 1.00 0.00 O flip ATOM 68 NE2 GLN A 4 -7.902 -2.384 -1.815 1.00 0.00 N flip ATOM 0 H GLN A 4 -7.020 2.650 -3.066 1.00 0.00 H new ATOM 0 HA GLN A 4 -6.638 1.499 -0.254 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -8.930 1.467 -1.576 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -8.125 0.304 -2.611 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -8.189 -0.040 0.422 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -9.497 -0.617 -0.591 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -8.665 -2.138 -2.446 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -7.356 -3.229 -1.980 1.00 0.00 H new ATOM 77 N CYS A 5 -4.998 -0.192 -1.101 1.00 0.00 N ATOM 78 CA CYS A 5 -3.797 -1.002 -1.491 1.00 0.00 C ATOM 79 C CYS A 5 -3.978 -2.130 -2.534 1.00 0.00 C ATOM 80 O CYS A 5 -3.207 -2.196 -3.470 1.00 0.00 O ATOM 81 CB CYS A 5 -3.218 -1.605 -0.215 1.00 0.00 C ATOM 82 SG CYS A 5 -1.796 -2.698 -0.441 1.00 0.00 S ATOM 0 H CYS A 5 -5.348 -0.392 -0.164 1.00 0.00 H new ATOM 0 HA CYS A 5 -3.145 -0.294 -2.003 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -2.926 -0.792 0.450 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -4.006 -2.163 0.291 1.00 0.00 H new ATOM 87 N GLN A 6 -4.965 -2.972 -2.334 1.00 0.00 N ATOM 88 CA GLN A 6 -5.291 -4.132 -3.242 1.00 0.00 C ATOM 89 C GLN A 6 -4.264 -5.286 -3.120 1.00 0.00 C ATOM 90 O GLN A 6 -4.198 -6.147 -3.976 1.00 0.00 O ATOM 91 CB GLN A 6 -5.367 -3.674 -4.771 1.00 0.00 C ATOM 92 CG GLN A 6 -6.822 -3.294 -5.170 1.00 0.00 C ATOM 93 CD GLN A 6 -7.301 -1.961 -4.574 1.00 0.00 C ATOM 94 OE1 GLN A 6 -6.455 -1.152 -4.007 1.00 0.00 O flip ATOM 95 NE2 GLN A 6 -8.470 -1.637 -4.627 1.00 0.00 N flip ATOM 0 H GLN A 6 -5.594 -2.900 -1.534 1.00 0.00 H new ATOM 0 HA GLN A 6 -6.266 -4.496 -2.918 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -4.708 -2.821 -4.931 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -5.009 -4.479 -5.413 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -6.888 -3.240 -6.257 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -7.496 -4.088 -4.849 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -9.151 -2.256 -5.067 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -8.771 -0.746 -4.232 1.00 0.00 H new ATOM 104 N TYR A 7 -3.497 -5.276 -2.056 1.00 0.00 N ATOM 105 CA TYR A 7 -2.465 -6.344 -1.816 1.00 0.00 C ATOM 106 C TYR A 7 -2.769 -7.029 -0.480 1.00 0.00 C ATOM 107 O TYR A 7 -2.828 -8.241 -0.401 1.00 0.00 O ATOM 108 CB TYR A 7 -1.040 -5.761 -1.728 1.00 0.00 C ATOM 109 CG TYR A 7 -0.565 -5.140 -3.056 1.00 0.00 C ATOM 110 CD1 TYR A 7 -0.742 -5.789 -4.266 1.00 0.00 C ATOM 111 CD2 TYR A 7 0.075 -3.915 -3.048 1.00 0.00 C ATOM 112 CE1 TYR A 7 -0.284 -5.224 -5.437 1.00 0.00 C ATOM 113 CE2 TYR A 7 0.532 -3.353 -4.219 1.00 0.00 C ATOM 114 CZ TYR A 7 0.356 -4.002 -5.425 1.00 0.00 C ATOM 115 OH TYR A 7 0.819 -3.441 -6.599 1.00 0.00 O ATOM 0 H TYR A 7 -3.541 -4.562 -1.329 1.00 0.00 H new ATOM 0 HA TYR A 7 -2.508 -7.041 -2.653 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -1.011 -5.002 -0.946 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -0.348 -6.549 -1.433 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -1.243 -6.745 -4.293 1.00 0.00 H new ATOM 0 HD2 TYR A 7 0.218 -3.393 -2.113 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -0.428 -5.743 -6.373 1.00 0.00 H new ATOM 0 HE2 TYR A 7 1.032 -2.396 -4.194 1.00 0.00 H new ATOM 0 HH TYR A 7 1.243 -2.579 -6.405 1.00 0.00 H new ATOM 125 N CYS A 8 -2.948 -6.208 0.525 1.00 0.00 N ATOM 126 CA CYS A 8 -3.258 -6.700 1.907 1.00 0.00 C ATOM 127 C CYS A 8 -4.696 -6.293 2.228 1.00 0.00 C ATOM 128 O CYS A 8 -5.485 -7.110 2.656 1.00 0.00 O ATOM 129 CB CYS A 8 -2.305 -6.054 2.917 1.00 0.00 C ATOM 130 SG CYS A 8 -2.254 -4.245 2.979 1.00 0.00 S ATOM 0 H CYS A 8 -2.891 -5.193 0.445 1.00 0.00 H new ATOM 0 HA CYS A 8 -3.139 -7.782 1.963 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -2.570 -6.417 3.910 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -1.297 -6.412 2.705 1.00 0.00 H new ATOM 135 N GLU A 9 -4.927 -5.022 1.991 1.00 0.00 N ATOM 136 CA GLU A 9 -6.217 -4.282 2.188 1.00 0.00 C ATOM 137 C GLU A 9 -6.028 -3.154 3.218 1.00 0.00 C ATOM 138 O GLU A 9 -6.572 -3.178 4.306 1.00 0.00 O ATOM 139 CB GLU A 9 -7.382 -5.229 2.681 1.00 0.00 C ATOM 140 CG GLU A 9 -8.741 -4.458 2.665 1.00 0.00 C ATOM 141 CD GLU A 9 -9.114 -3.937 1.251 1.00 0.00 C ATOM 142 OE1 GLU A 9 -8.663 -4.517 0.274 1.00 0.00 O ATOM 143 OE2 GLU A 9 -9.854 -2.969 1.226 1.00 0.00 O ATOM 0 H GLU A 9 -4.193 -4.412 1.632 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.497 -3.871 1.218 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.445 -6.107 2.038 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.169 -5.587 3.688 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.532 -5.115 3.026 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.685 -3.616 3.355 1.00 0.00 H new ATOM 150 N LEU A 10 -5.238 -2.185 2.828 1.00 0.00 N ATOM 151 CA LEU A 10 -4.956 -1.007 3.713 1.00 0.00 C ATOM 152 C LEU A 10 -5.759 0.157 3.099 1.00 0.00 C ATOM 153 O LEU A 10 -6.073 0.105 1.925 1.00 0.00 O ATOM 154 CB LEU A 10 -3.447 -0.692 3.681 1.00 0.00 C ATOM 155 CG LEU A 10 -3.083 0.409 4.730 1.00 0.00 C ATOM 156 CD1 LEU A 10 -2.989 -0.217 6.142 1.00 0.00 C ATOM 157 CD2 LEU A 10 -1.732 1.038 4.375 1.00 0.00 C ATOM 0 H LEU A 10 -4.769 -2.158 1.923 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.234 -1.186 4.752 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.878 -1.599 3.887 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.163 -0.357 2.683 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.860 1.173 4.719 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.735 0.557 6.867 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.948 -0.662 6.407 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.218 -0.987 6.148 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.483 1.804 5.109 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.960 0.268 4.378 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.790 1.489 3.385 1.00 0.00 H new ATOM 169 N ARG A 11 -6.046 1.147 3.906 1.00 0.00 N ATOM 170 CA ARG A 11 -6.818 2.347 3.457 1.00 0.00 C ATOM 171 C ARG A 11 -5.932 3.587 3.624 1.00 0.00 C ATOM 172 O ARG A 11 -5.508 3.891 4.722 1.00 0.00 O ATOM 173 CB ARG A 11 -8.090 2.455 4.325 1.00 0.00 C ATOM 174 CG ARG A 11 -8.847 3.774 4.042 1.00 0.00 C ATOM 175 CD ARG A 11 -10.110 3.832 4.922 1.00 0.00 C ATOM 176 NE ARG A 11 -10.663 5.216 4.818 1.00 0.00 N ATOM 177 CZ ARG A 11 -11.861 5.415 4.338 1.00 0.00 C ATOM 178 NH1 ARG A 11 -12.011 5.537 3.047 1.00 0.00 N ATOM 179 NH2 ARG A 11 -12.863 5.486 5.169 1.00 0.00 N ATOM 0 H ARG A 11 -5.769 1.174 4.887 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.109 2.264 2.410 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.744 1.606 4.124 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.819 2.406 5.380 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -8.204 4.629 4.252 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -9.120 3.832 2.988 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.844 3.099 4.588 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.868 3.592 5.957 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.101 6.010 5.124 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.200 5.476 2.431 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -12.939 5.693 2.654 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.702 5.387 6.171 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.808 5.641 4.817 1.00 0.00 H new ATOM 193 N SER A 12 -5.683 4.260 2.528 1.00 0.00 N ATOM 194 CA SER A 12 -4.837 5.490 2.544 1.00 0.00 C ATOM 195 C SER A 12 -5.596 6.697 1.982 1.00 0.00 C ATOM 196 O SER A 12 -6.457 6.596 1.127 1.00 0.00 O ATOM 197 CB SER A 12 -3.565 5.238 1.696 1.00 0.00 C ATOM 198 OG SER A 12 -2.905 6.490 1.576 1.00 0.00 O ATOM 0 H SER A 12 -6.038 4.003 1.607 1.00 0.00 H new ATOM 0 HA SER A 12 -4.568 5.712 3.577 1.00 0.00 H new ATOM 0 HB2 SER A 12 -2.918 4.503 2.176 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.825 4.841 0.715 1.00 0.00 H new ATOM 0 HG SER A 12 -2.530 6.577 0.675 1.00 0.00 H new ATOM 204 N ALA A 13 -5.196 7.806 2.534 1.00 0.00 N ATOM 205 CA ALA A 13 -5.737 9.144 2.192 1.00 0.00 C ATOM 206 C ALA A 13 -4.451 9.973 2.079 1.00 0.00 C ATOM 207 O ALA A 13 -4.065 10.621 3.031 1.00 0.00 O ATOM 208 CB ALA A 13 -6.641 9.654 3.336 1.00 0.00 C ATOM 0 H ALA A 13 -4.472 7.835 3.251 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.355 9.176 1.294 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.035 10.637 3.078 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.468 8.959 3.484 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.059 9.726 4.255 1.00 0.00 H new ATOM 214 N ASP A 14 -3.763 9.984 0.967 1.00 0.00 N ATOM 215 CA ASP A 14 -4.092 9.252 -0.297 1.00 0.00 C ATOM 216 C ASP A 14 -2.783 8.654 -0.821 1.00 0.00 C ATOM 217 O ASP A 14 -1.893 8.392 -0.041 1.00 0.00 O ATOM 218 CB ASP A 14 -4.688 10.281 -1.274 1.00 0.00 C ATOM 219 CG ASP A 14 -3.781 11.534 -1.398 1.00 0.00 C ATOM 220 OD1 ASP A 14 -2.637 11.379 -1.797 1.00 0.00 O ATOM 221 OD2 ASP A 14 -4.291 12.595 -1.078 1.00 0.00 O ATOM 0 H ASP A 14 -2.903 10.526 0.881 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.813 8.447 -0.158 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.815 9.823 -2.255 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.679 10.579 -0.931 1.00 0.00 H new ATOM 226 N SER A 15 -2.714 8.449 -2.118 1.00 0.00 N ATOM 227 CA SER A 15 -1.504 7.885 -2.809 1.00 0.00 C ATOM 228 C SER A 15 -0.198 8.165 -2.028 1.00 0.00 C ATOM 229 O SER A 15 0.544 7.267 -1.687 1.00 0.00 O ATOM 230 CB SER A 15 -1.439 8.519 -4.211 1.00 0.00 C ATOM 231 OG SER A 15 -0.267 8.001 -4.821 1.00 0.00 O ATOM 0 H SER A 15 -3.483 8.660 -2.754 1.00 0.00 H new ATOM 0 HA SER A 15 -1.595 6.801 -2.870 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.325 8.269 -4.794 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.397 9.606 -4.146 1.00 0.00 H new ATOM 0 HG SER A 15 -0.193 8.348 -5.735 1.00 0.00 H new ATOM 237 N SER A 16 -0.005 9.440 -1.793 1.00 0.00 N ATOM 238 CA SER A 16 1.173 10.012 -1.056 1.00 0.00 C ATOM 239 C SER A 16 1.746 9.138 0.075 1.00 0.00 C ATOM 240 O SER A 16 2.945 9.062 0.261 1.00 0.00 O ATOM 241 CB SER A 16 0.752 11.366 -0.485 1.00 0.00 C ATOM 242 OG SER A 16 0.291 12.066 -1.631 1.00 0.00 O ATOM 0 H SER A 16 -0.662 10.156 -2.104 1.00 0.00 H new ATOM 0 HA SER A 16 1.982 10.085 -1.783 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.031 11.262 0.266 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.586 11.879 -0.007 1.00 0.00 H new ATOM 0 HG SER A 16 -0.687 12.024 -1.668 1.00 0.00 H new ATOM 248 N ASN A 17 0.848 8.506 0.788 1.00 0.00 N ATOM 249 CA ASN A 17 1.225 7.619 1.931 1.00 0.00 C ATOM 250 C ASN A 17 1.303 6.174 1.430 1.00 0.00 C ATOM 251 O ASN A 17 2.281 5.495 1.668 1.00 0.00 O ATOM 252 CB ASN A 17 0.147 7.780 3.023 1.00 0.00 C ATOM 253 CG ASN A 17 0.093 9.236 3.534 1.00 0.00 C ATOM 254 OD1 ASN A 17 1.038 10.086 3.220 1.00 0.00 O flip ATOM 255 ND2 ASN A 17 -0.822 9.618 4.237 1.00 0.00 N flip ATOM 0 H ASN A 17 -0.156 8.570 0.621 1.00 0.00 H new ATOM 0 HA ASN A 17 2.197 7.885 2.346 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.826 7.494 2.624 1.00 0.00 H new ATOM 0 HB3 ASN A 17 0.361 7.107 3.853 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -1.570 8.974 4.495 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -0.842 10.582 4.569 1.00 0.00 H new ATOM 262 N LEU A 18 0.264 5.746 0.759 1.00 0.00 N ATOM 263 CA LEU A 18 0.191 4.355 0.194 1.00 0.00 C ATOM 264 C LEU A 18 1.560 3.933 -0.406 1.00 0.00 C ATOM 265 O LEU A 18 2.042 2.843 -0.175 1.00 0.00 O ATOM 266 CB LEU A 18 -0.940 4.378 -0.863 1.00 0.00 C ATOM 267 CG LEU A 18 -1.618 2.985 -1.031 1.00 0.00 C ATOM 268 CD1 LEU A 18 -2.851 3.154 -1.918 1.00 0.00 C ATOM 269 CD2 LEU A 18 -0.691 1.957 -1.691 1.00 0.00 C ATOM 0 H LEU A 18 -0.561 6.315 0.572 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.030 3.614 0.962 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.691 5.113 -0.573 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.533 4.700 -1.821 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.874 2.617 -0.037 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.341 2.189 -2.048 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.544 3.852 -1.449 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.549 3.542 -2.891 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.212 1.004 -1.784 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.401 2.311 -2.681 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.200 1.824 -1.078 1.00 0.00 H new ATOM 281 N LYS A 19 2.139 4.822 -1.174 1.00 0.00 N ATOM 282 CA LYS A 19 3.472 4.570 -1.819 1.00 0.00 C ATOM 283 C LYS A 19 4.480 3.940 -0.840 1.00 0.00 C ATOM 284 O LYS A 19 5.015 2.878 -1.102 1.00 0.00 O ATOM 285 CB LYS A 19 4.014 5.917 -2.352 1.00 0.00 C ATOM 286 CG LYS A 19 3.107 6.418 -3.499 1.00 0.00 C ATOM 287 CD LYS A 19 3.377 5.606 -4.790 1.00 0.00 C ATOM 288 CE LYS A 19 2.321 5.970 -5.843 1.00 0.00 C ATOM 289 NZ LYS A 19 2.329 7.436 -6.103 1.00 0.00 N ATOM 0 H LYS A 19 1.736 5.734 -1.388 1.00 0.00 H new ATOM 0 HA LYS A 19 3.339 3.858 -2.634 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.043 6.653 -1.549 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.036 5.794 -2.709 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.060 6.321 -3.213 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.291 7.477 -3.682 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.376 5.823 -5.169 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.342 4.538 -4.576 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.520 5.429 -6.768 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.334 5.661 -5.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.154 7.610 -7.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.585 7.893 -5.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.254 7.830 -5.839 1.00 0.00 H new ATOM 303 N THR A 20 4.703 4.608 0.271 1.00 0.00 N ATOM 304 CA THR A 20 5.670 4.074 1.280 1.00 0.00 C ATOM 305 C THR A 20 5.100 2.776 1.863 1.00 0.00 C ATOM 306 O THR A 20 5.846 1.832 2.042 1.00 0.00 O ATOM 307 CB THR A 20 5.908 5.109 2.427 1.00 0.00 C ATOM 308 OG1 THR A 20 4.697 5.261 3.150 1.00 0.00 O ATOM 309 CG2 THR A 20 6.185 6.511 1.857 1.00 0.00 C ATOM 0 H THR A 20 4.260 5.493 0.519 1.00 0.00 H new ATOM 0 HA THR A 20 6.627 3.884 0.794 1.00 0.00 H new ATOM 0 HB THR A 20 6.743 4.749 3.028 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.946 5.315 2.523 1.00 0.00 H new ATOM 0 HG21 THR A 20 6.347 7.211 2.676 1.00 0.00 H new ATOM 0 HG22 THR A 20 7.074 6.478 1.226 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.331 6.838 1.264 1.00 0.00 H new ATOM 317 N HIS A 21 3.813 2.755 2.155 1.00 0.00 N ATOM 318 CA HIS A 21 3.201 1.504 2.719 1.00 0.00 C ATOM 319 C HIS A 21 3.715 0.291 1.911 1.00 0.00 C ATOM 320 O HIS A 21 4.359 -0.580 2.461 1.00 0.00 O ATOM 321 CB HIS A 21 1.650 1.596 2.634 1.00 0.00 C ATOM 322 CG HIS A 21 1.081 0.184 2.754 1.00 0.00 C ATOM 323 ND1 HIS A 21 1.154 -0.554 3.809 1.00 0.00 N ATOM 324 CD2 HIS A 21 0.417 -0.594 1.824 1.00 0.00 C ATOM 325 CE1 HIS A 21 0.591 -1.697 3.580 1.00 0.00 C ATOM 326 NE2 HIS A 21 0.124 -1.760 2.360 1.00 0.00 N ATOM 0 H HIS A 21 3.171 3.538 2.029 1.00 0.00 H new ATOM 0 HA HIS A 21 3.483 1.387 3.765 1.00 0.00 H new ATOM 0 HB2 HIS A 21 1.263 2.231 3.431 1.00 0.00 H new ATOM 0 HB3 HIS A 21 1.347 2.049 1.690 1.00 0.00 H new ATOM 0 HD1 HIS A 21 1.589 -0.279 4.690 1.00 0.00 H new ATOM 0 HD2 HIS A 21 0.176 -0.292 0.815 1.00 0.00 H new ATOM 0 HE1 HIS A 21 0.517 -2.496 4.303 1.00 0.00 H new ATOM 334 N ILE A 22 3.406 0.297 0.633 1.00 0.00 N ATOM 335 CA ILE A 22 3.833 -0.800 -0.293 1.00 0.00 C ATOM 336 C ILE A 22 5.332 -1.047 -0.130 1.00 0.00 C ATOM 337 O ILE A 22 5.713 -2.134 0.249 1.00 0.00 O ATOM 338 CB ILE A 22 3.520 -0.403 -1.772 1.00 0.00 C ATOM 339 CG1 ILE A 22 1.985 -0.273 -1.946 1.00 0.00 C ATOM 340 CG2 ILE A 22 4.048 -1.509 -2.732 1.00 0.00 C ATOM 341 CD1 ILE A 22 1.641 0.279 -3.348 1.00 0.00 C ATOM 0 H ILE A 22 2.863 1.035 0.185 1.00 0.00 H new ATOM 0 HA ILE A 22 3.286 -1.710 -0.049 1.00 0.00 H new ATOM 0 HB ILE A 22 4.005 0.545 -2.006 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.514 -1.246 -1.807 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.581 0.389 -1.180 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.829 -1.231 -3.763 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.125 -1.616 -2.606 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.560 -2.456 -2.500 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.559 0.363 -3.451 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.095 1.262 -3.473 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.026 -0.398 -4.110 1.00 0.00 H new ATOM 353 N LYS A 23 6.105 -0.031 -0.426 1.00 0.00 N ATOM 354 CA LYS A 23 7.597 -0.089 -0.324 1.00 0.00 C ATOM 355 C LYS A 23 8.118 -1.027 0.782 1.00 0.00 C ATOM 356 O LYS A 23 8.944 -1.877 0.514 1.00 0.00 O ATOM 357 CB LYS A 23 8.121 1.348 -0.087 1.00 0.00 C ATOM 358 CG LYS A 23 9.662 1.356 -0.064 1.00 0.00 C ATOM 359 CD LYS A 23 10.141 2.803 0.180 1.00 0.00 C ATOM 360 CE LYS A 23 11.684 2.853 0.168 1.00 0.00 C ATOM 361 NZ LYS A 23 12.246 2.036 1.281 1.00 0.00 N ATOM 0 H LYS A 23 5.749 0.870 -0.746 1.00 0.00 H new ATOM 0 HA LYS A 23 7.970 -0.507 -1.259 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.758 2.009 -0.874 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.734 1.733 0.856 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.032 0.697 0.721 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.057 0.980 -1.008 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.741 3.463 -0.590 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.764 3.164 1.137 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.057 2.482 -0.787 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.020 3.886 0.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.257 2.253 1.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.742 2.258 2.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.132 1.026 1.062 1.00 0.00 H new ATOM 375 N THR A 24 7.619 -0.837 1.982 1.00 0.00 N ATOM 376 CA THR A 24 8.058 -1.689 3.142 1.00 0.00 C ATOM 377 C THR A 24 6.990 -2.647 3.744 1.00 0.00 C ATOM 378 O THR A 24 6.945 -2.871 4.939 1.00 0.00 O ATOM 379 CB THR A 24 8.602 -0.689 4.209 1.00 0.00 C ATOM 380 OG1 THR A 24 9.083 -1.476 5.291 1.00 0.00 O ATOM 381 CG2 THR A 24 7.481 0.204 4.794 1.00 0.00 C ATOM 0 H THR A 24 6.924 -0.127 2.211 1.00 0.00 H new ATOM 0 HA THR A 24 8.808 -2.394 2.785 1.00 0.00 H new ATOM 0 HB THR A 24 9.356 -0.055 3.742 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.395 -2.121 5.558 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.906 0.884 5.532 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.020 0.781 3.992 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.727 -0.423 5.270 1.00 0.00 H new ATOM 389 N LYS A 25 6.156 -3.194 2.899 1.00 0.00 N ATOM 390 CA LYS A 25 5.077 -4.145 3.337 1.00 0.00 C ATOM 391 C LYS A 25 4.915 -5.259 2.303 1.00 0.00 C ATOM 392 O LYS A 25 4.645 -6.398 2.635 1.00 0.00 O ATOM 393 CB LYS A 25 3.736 -3.389 3.484 1.00 0.00 C ATOM 394 CG LYS A 25 3.714 -2.569 4.809 1.00 0.00 C ATOM 395 CD LYS A 25 3.423 -3.525 5.993 1.00 0.00 C ATOM 396 CE LYS A 25 3.210 -2.722 7.284 1.00 0.00 C ATOM 397 NZ LYS A 25 2.914 -3.661 8.403 1.00 0.00 N ATOM 0 H LYS A 25 6.174 -3.019 1.894 1.00 0.00 H new ATOM 0 HA LYS A 25 5.358 -4.577 4.297 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.593 -2.722 2.634 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.909 -4.099 3.475 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.671 -2.068 4.957 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.952 -1.792 4.757 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.537 -4.123 5.778 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.253 -4.220 6.121 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.100 -2.135 7.512 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.387 -2.018 7.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.769 -3.121 9.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.054 -4.203 8.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.713 -4.315 8.527 1.00 0.00 H new ATOM 411 N HIS A 26 5.094 -4.866 1.071 1.00 0.00 N ATOM 412 CA HIS A 26 4.975 -5.789 -0.097 1.00 0.00 C ATOM 413 C HIS A 26 6.332 -5.797 -0.806 1.00 0.00 C ATOM 414 O HIS A 26 6.995 -6.813 -0.865 1.00 0.00 O ATOM 415 CB HIS A 26 3.835 -5.234 -0.978 1.00 0.00 C ATOM 416 CG HIS A 26 2.550 -5.186 -0.136 1.00 0.00 C ATOM 417 ND1 HIS A 26 2.040 -6.199 0.486 1.00 0.00 N ATOM 418 CD2 HIS A 26 1.685 -4.141 0.154 1.00 0.00 C ATOM 419 CE1 HIS A 26 0.966 -5.840 1.109 1.00 0.00 C ATOM 420 NE2 HIS A 26 0.709 -4.572 0.929 1.00 0.00 N ATOM 0 H HIS A 26 5.327 -3.906 0.817 1.00 0.00 H new ATOM 0 HA HIS A 26 4.734 -6.818 0.169 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.087 -4.238 -1.342 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.691 -5.866 -1.854 1.00 0.00 H new ATOM 0 HD1 HIS A 26 2.428 -7.142 0.485 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.794 -3.127 -0.201 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.357 -6.505 1.704 1.00 0.00 H new ATOM 428 N SER A 27 6.663 -4.637 -1.320 1.00 0.00 N ATOM 429 CA SER A 27 7.928 -4.337 -2.059 1.00 0.00 C ATOM 430 C SER A 27 7.919 -4.830 -3.504 1.00 0.00 C ATOM 431 O SER A 27 8.068 -4.069 -4.441 1.00 0.00 O ATOM 432 CB SER A 27 9.155 -4.975 -1.337 1.00 0.00 C ATOM 433 OG SER A 27 9.057 -4.524 0.004 1.00 0.00 O ATOM 0 H SER A 27 6.052 -3.823 -1.248 1.00 0.00 H new ATOM 0 HA SER A 27 8.004 -3.250 -2.071 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.125 -6.063 -1.392 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.092 -4.658 -1.794 1.00 0.00 H new ATOM 0 HG SER A 27 8.979 -3.547 0.016 1.00 0.00 H new ATOM 439 N LYS A 28 7.743 -6.120 -3.606 1.00 0.00 N ATOM 440 CA LYS A 28 7.712 -6.824 -4.928 1.00 0.00 C ATOM 441 C LYS A 28 6.521 -7.767 -5.110 1.00 0.00 C ATOM 442 O LYS A 28 5.691 -7.570 -5.975 1.00 0.00 O ATOM 443 CB LYS A 28 9.034 -7.625 -5.079 1.00 0.00 C ATOM 444 CG LYS A 28 10.242 -6.673 -5.203 1.00 0.00 C ATOM 445 CD LYS A 28 11.537 -7.513 -5.281 1.00 0.00 C ATOM 446 CE LYS A 28 12.742 -6.593 -5.548 1.00 0.00 C ATOM 447 NZ LYS A 28 12.598 -5.927 -6.876 1.00 0.00 N ATOM 0 H LYS A 28 7.615 -6.737 -2.804 1.00 0.00 H new ATOM 0 HA LYS A 28 7.604 -6.059 -5.697 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.168 -8.279 -4.218 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.978 -8.265 -5.960 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.142 -6.051 -6.093 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.281 -6.000 -4.347 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.684 -8.058 -4.349 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.452 -8.255 -6.075 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.816 -5.841 -4.762 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.664 -7.173 -5.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.531 -5.607 -7.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.200 -6.601 -7.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.962 -5.109 -6.787 1.00 0.00 H new ATOM 461 N GLU A 29 6.505 -8.755 -4.255 1.00 0.00 N ATOM 462 CA GLU A 29 5.460 -9.832 -4.216 1.00 0.00 C ATOM 463 C GLU A 29 4.785 -10.156 -5.573 1.00 0.00 C ATOM 464 O GLU A 29 3.624 -9.880 -5.809 1.00 0.00 O ATOM 465 CB GLU A 29 4.375 -9.435 -3.171 1.00 0.00 C ATOM 466 CG GLU A 29 3.722 -8.064 -3.484 1.00 0.00 C ATOM 467 CD GLU A 29 2.503 -7.821 -2.567 1.00 0.00 C ATOM 468 OE1 GLU A 29 2.493 -8.316 -1.448 1.00 0.00 O ATOM 469 OE2 GLU A 29 1.633 -7.123 -3.054 1.00 0.00 O ATOM 0 H GLU A 29 7.219 -8.867 -3.536 1.00 0.00 H new ATOM 0 HA GLU A 29 5.983 -10.748 -3.939 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.603 -10.204 -3.144 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.826 -9.401 -2.179 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.453 -7.267 -3.346 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.410 -8.033 -4.528 1.00 0.00 H new ATOM 476 N LYS A 30 5.578 -10.751 -6.431 1.00 0.00 N ATOM 477 CA LYS A 30 5.113 -11.150 -7.801 1.00 0.00 C ATOM 478 C LYS A 30 5.096 -12.678 -7.924 1.00 0.00 C ATOM 479 O LYS A 30 5.953 -13.386 -7.431 1.00 0.00 O ATOM 480 CB LYS A 30 6.066 -10.570 -8.864 1.00 0.00 C ATOM 481 CG LYS A 30 5.920 -9.032 -8.910 1.00 0.00 C ATOM 482 CD LYS A 30 6.779 -8.414 -10.051 1.00 0.00 C ATOM 483 CE LYS A 30 8.287 -8.632 -9.805 1.00 0.00 C ATOM 484 NZ LYS A 30 8.694 -8.030 -8.501 1.00 0.00 N ATOM 0 H LYS A 30 6.552 -10.983 -6.236 1.00 0.00 H new ATOM 0 HA LYS A 30 4.107 -10.761 -7.958 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.096 -10.840 -8.630 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.839 -10.996 -9.841 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.873 -8.769 -9.058 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.224 -8.607 -7.953 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.496 -8.861 -11.004 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.572 -7.346 -10.126 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.512 -9.699 -9.806 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.863 -8.184 -10.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.571 -7.485 -8.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.941 -7.399 -8.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.854 -8.786 -7.805 1.00 0.00 H new TER 498 LYS A 30 HETATM 499 ZN ZN A 31 -0.747 -3.331 1.499 1.00 0.00 ZN