USER MOD reduce.3.24.130724 H: found=0, std=0, add=253, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 253 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 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= -0.147 USER MOD Single : A 23 THR OG1 : rot -89:sc= 1.28 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 180:sc= -0.57 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.00054 USER MOD Single : A 33 SER OG : rot 133:sc= 0.0228 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -0.0277 X(o=-0.028,f=-0.021) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 5 1.539 -9.114 16.608 1.00 12.25 N ATOM 2 CA GLY A 5 2.469 -8.108 16.129 1.00 4.12 C ATOM 3 C GLY A 5 3.167 -8.525 14.851 1.00 55.11 C ATOM 4 O GLY A 5 4.344 -8.223 14.651 1.00 30.04 O ATOM 0 HA2 GLY A 5 1.933 -7.174 15.958 1.00 4.12 H new ATOM 0 HA3 GLY A 5 3.215 -7.911 16.899 1.00 4.12 H new ATOM 8 N ALA A 6 2.443 -9.225 13.984 1.00 72.23 N ATOM 9 CA ALA A 6 3.000 -9.685 12.717 1.00 51.53 C ATOM 10 C ALA A 6 2.741 -8.676 11.605 1.00 31.22 C ATOM 11 O ALA A 6 1.938 -7.756 11.763 1.00 75.14 O ATOM 12 CB ALA A 6 2.422 -11.042 12.348 1.00 25.41 C ATOM 0 H ALA A 6 1.469 -9.486 14.136 1.00 72.23 H new ATOM 0 HA ALA A 6 4.079 -9.783 12.837 1.00 51.53 H new ATOM 0 HB1 ALA A 6 2.847 -11.373 11.400 1.00 25.41 H new ATOM 0 HB2 ALA A 6 2.665 -11.765 13.127 1.00 25.41 H new ATOM 0 HB3 ALA A 6 1.339 -10.962 12.252 1.00 25.41 H new ATOM 18 N MET A 7 3.425 -8.855 10.479 1.00 2.40 N ATOM 19 CA MET A 7 3.267 -7.959 9.339 1.00 12.40 C ATOM 20 C MET A 7 3.713 -6.544 9.694 1.00 21.11 C ATOM 21 O MET A 7 3.010 -5.820 10.399 1.00 50.12 O ATOM 22 CB MET A 7 1.810 -7.946 8.871 1.00 12.41 C ATOM 23 CG MET A 7 1.564 -8.784 7.628 1.00 62.51 C ATOM 24 SD MET A 7 0.666 -10.307 7.985 1.00 32.42 S ATOM 25 CE MET A 7 1.159 -11.323 6.594 1.00 63.54 C ATOM 0 H MET A 7 4.093 -9.611 10.332 1.00 2.40 H new ATOM 0 HA MET A 7 3.897 -8.327 8.529 1.00 12.40 H new ATOM 0 HB2 MET A 7 1.175 -8.312 9.678 1.00 12.41 H new ATOM 0 HB3 MET A 7 1.510 -6.917 8.671 1.00 12.41 H new ATOM 0 HG2 MET A 7 1.001 -8.196 6.903 1.00 62.51 H new ATOM 0 HG3 MET A 7 2.520 -9.030 7.165 1.00 62.51 H new ATOM 0 HE1 MET A 7 0.684 -12.301 6.671 1.00 63.54 H new ATOM 0 HE2 MET A 7 0.851 -10.843 5.665 1.00 63.54 H new ATOM 0 HE3 MET A 7 2.242 -11.444 6.598 1.00 63.54 H new ATOM 35 N GLY A 8 4.884 -6.155 9.200 1.00 12.32 N ATOM 36 CA GLY A 8 5.403 -4.829 9.477 1.00 10.34 C ATOM 37 C GLY A 8 6.890 -4.719 9.207 1.00 20.11 C ATOM 38 O GLY A 8 7.654 -5.631 9.522 1.00 44.13 O ATOM 0 H GLY A 8 5.483 -6.735 8.612 1.00 12.32 H new ATOM 0 HA2 GLY A 8 4.871 -4.099 8.866 1.00 10.34 H new ATOM 0 HA3 GLY A 8 5.207 -4.576 10.519 1.00 10.34 H new ATOM 42 N SER A 9 7.304 -3.600 8.620 1.00 24.33 N ATOM 43 CA SER A 9 8.709 -3.377 8.303 1.00 63.44 C ATOM 44 C SER A 9 8.943 -1.937 7.855 1.00 44.21 C ATOM 45 O SER A 9 8.058 -1.089 7.964 1.00 64.14 O ATOM 46 CB SER A 9 9.166 -4.344 7.209 1.00 10.12 C ATOM 47 OG SER A 9 10.456 -4.859 7.490 1.00 22.41 O ATOM 0 H SER A 9 6.685 -2.834 8.354 1.00 24.33 H new ATOM 0 HA SER A 9 9.293 -3.558 9.205 1.00 63.44 H new ATOM 0 HB2 SER A 9 8.454 -5.165 7.124 1.00 10.12 H new ATOM 0 HB3 SER A 9 9.177 -3.831 6.247 1.00 10.12 H new ATOM 0 HG SER A 9 10.725 -5.476 6.777 1.00 22.41 H new ATOM 53 N VAL A 10 10.143 -1.669 7.352 1.00 32.03 N ATOM 54 CA VAL A 10 10.495 -0.332 6.886 1.00 54.24 C ATOM 55 C VAL A 10 9.798 -0.007 5.571 1.00 3.12 C ATOM 56 O VAL A 10 9.507 -0.898 4.773 1.00 51.14 O ATOM 57 CB VAL A 10 12.017 -0.187 6.697 1.00 71.22 C ATOM 58 CG1 VAL A 10 12.385 1.263 6.420 1.00 55.03 C ATOM 59 CG2 VAL A 10 12.757 -0.709 7.919 1.00 13.31 C ATOM 0 H VAL A 10 10.888 -2.359 7.256 1.00 32.03 H new ATOM 0 HA VAL A 10 10.163 0.368 7.652 1.00 54.24 H new ATOM 0 HB VAL A 10 12.317 -0.784 5.836 1.00 71.22 H new ATOM 0 HG11 VAL A 10 13.464 1.346 6.289 1.00 55.03 H new ATOM 0 HG12 VAL A 10 11.883 1.599 5.513 1.00 55.03 H new ATOM 0 HG13 VAL A 10 12.072 1.884 7.259 1.00 55.03 H new ATOM 0 HG21 VAL A 10 13.831 -0.599 7.769 1.00 13.31 H new ATOM 0 HG22 VAL A 10 12.454 -0.141 8.798 1.00 13.31 H new ATOM 0 HG23 VAL A 10 12.517 -1.762 8.067 1.00 13.31 H new ATOM 69 N ASP A 11 9.532 1.275 5.350 1.00 1.13 N ATOM 70 CA ASP A 11 8.868 1.720 4.130 1.00 53.41 C ATOM 71 C ASP A 11 9.581 1.176 2.895 1.00 41.43 C ATOM 72 O ASP A 11 10.690 0.650 2.988 1.00 4.40 O ATOM 73 CB ASP A 11 8.824 3.248 4.076 1.00 44.34 C ATOM 74 CG ASP A 11 7.892 3.837 5.117 1.00 41.03 C ATOM 75 OD1 ASP A 11 6.917 3.153 5.494 1.00 11.12 O ATOM 76 OD2 ASP A 11 8.136 4.981 5.553 1.00 51.43 O ATOM 0 H ASP A 11 9.766 2.025 6.000 1.00 1.13 H new ATOM 0 HA ASP A 11 7.848 1.335 4.139 1.00 53.41 H new ATOM 0 HB2 ASP A 11 9.829 3.643 4.227 1.00 44.34 H new ATOM 0 HB3 ASP A 11 8.502 3.565 3.084 1.00 44.34 H new ATOM 81 N SER A 12 8.935 1.306 1.740 1.00 41.44 N ATOM 82 CA SER A 12 9.506 0.823 0.488 1.00 23.31 C ATOM 83 C SER A 12 9.566 1.942 -0.547 1.00 55.24 C ATOM 84 O SER A 12 10.588 2.136 -1.206 1.00 23.43 O ATOM 85 CB SER A 12 8.679 -0.345 -0.055 1.00 54.22 C ATOM 86 OG SER A 12 9.518 -1.380 -0.540 1.00 1.14 O ATOM 0 H SER A 12 8.017 1.741 1.646 1.00 41.44 H new ATOM 0 HA SER A 12 10.521 0.480 0.687 1.00 23.31 H new ATOM 0 HB2 SER A 12 8.033 -0.734 0.732 1.00 54.22 H new ATOM 0 HB3 SER A 12 8.029 0.007 -0.856 1.00 54.22 H new ATOM 0 HG SER A 12 8.967 -2.116 -0.880 1.00 1.14 H new ATOM 92 N ALA A 13 8.466 2.674 -0.684 1.00 14.33 N ATOM 93 CA ALA A 13 8.395 3.775 -1.638 1.00 51.03 C ATOM 94 C ALA A 13 8.514 3.268 -3.071 1.00 40.14 C ATOM 95 O ALA A 13 9.577 2.810 -3.491 1.00 70.42 O ATOM 96 CB ALA A 13 9.482 4.798 -1.345 1.00 22.33 C ATOM 0 H ALA A 13 7.612 2.525 -0.147 1.00 14.33 H new ATOM 0 HA ALA A 13 7.422 4.255 -1.530 1.00 51.03 H new ATOM 0 HB1 ALA A 13 9.417 5.614 -2.065 1.00 22.33 H new ATOM 0 HB2 ALA A 13 9.349 5.191 -0.337 1.00 22.33 H new ATOM 0 HB3 ALA A 13 10.460 4.322 -1.423 1.00 22.33 H new ATOM 102 N ASP A 14 7.418 3.351 -3.816 1.00 4.33 N ATOM 103 CA ASP A 14 7.400 2.902 -5.203 1.00 55.02 C ATOM 104 C ASP A 14 7.671 4.063 -6.154 1.00 35.25 C ATOM 105 O ASP A 14 7.329 4.004 -7.335 1.00 71.52 O ATOM 106 CB ASP A 14 6.054 2.257 -5.535 1.00 21.13 C ATOM 107 CG ASP A 14 6.076 1.520 -6.859 1.00 73.23 C ATOM 108 OD1 ASP A 14 6.809 0.514 -6.966 1.00 64.22 O ATOM 109 OD2 ASP A 14 5.361 1.948 -7.791 1.00 43.13 O ATOM 0 H ASP A 14 6.530 3.725 -3.483 1.00 4.33 H new ATOM 0 HA ASP A 14 8.190 2.161 -5.330 1.00 55.02 H new ATOM 0 HB2 ASP A 14 5.781 1.562 -4.740 1.00 21.13 H new ATOM 0 HB3 ASP A 14 5.283 3.027 -5.564 1.00 21.13 H new ATOM 114 N ALA A 15 8.286 5.119 -5.632 1.00 23.12 N ATOM 115 CA ALA A 15 8.604 6.293 -6.435 1.00 3.01 C ATOM 116 C ALA A 15 7.337 6.938 -6.988 1.00 10.43 C ATOM 117 O ALA A 15 7.332 7.462 -8.100 1.00 31.44 O ATOM 118 CB ALA A 15 9.546 5.918 -7.569 1.00 40.51 C ATOM 0 H ALA A 15 8.574 5.185 -4.656 1.00 23.12 H new ATOM 0 HA ALA A 15 9.100 7.020 -5.792 1.00 3.01 H new ATOM 0 HB1 ALA A 15 9.775 6.805 -8.160 1.00 40.51 H new ATOM 0 HB2 ALA A 15 10.468 5.509 -7.156 1.00 40.51 H new ATOM 0 HB3 ALA A 15 9.071 5.171 -8.205 1.00 40.51 H new ATOM 124 N GLY A 16 6.266 6.896 -6.202 1.00 22.11 N ATOM 125 CA GLY A 16 5.008 7.480 -6.632 1.00 45.24 C ATOM 126 C GLY A 16 3.844 7.056 -5.758 1.00 25.23 C ATOM 127 O GLY A 16 3.955 7.033 -4.533 1.00 64.02 O ATOM 0 H GLY A 16 6.246 6.469 -5.276 1.00 22.11 H new ATOM 0 HA2 GLY A 16 5.092 8.567 -6.618 1.00 45.24 H new ATOM 0 HA3 GLY A 16 4.809 7.189 -7.663 1.00 45.24 H new ATOM 131 N GLY A 17 2.723 6.721 -6.390 1.00 71.11 N ATOM 132 CA GLY A 17 1.549 6.302 -5.646 1.00 23.15 C ATOM 133 C GLY A 17 0.789 5.190 -6.341 1.00 42.24 C ATOM 134 O GLY A 17 1.057 4.011 -6.114 1.00 22.13 O ATOM 0 H GLY A 17 2.607 6.732 -7.403 1.00 71.11 H new ATOM 0 HA2 GLY A 17 1.852 5.966 -4.654 1.00 23.15 H new ATOM 0 HA3 GLY A 17 0.888 7.157 -5.505 1.00 23.15 H new ATOM 138 N GLY A 18 -0.165 5.565 -7.187 1.00 32.24 N ATOM 139 CA GLY A 18 -0.953 4.579 -7.903 1.00 51.33 C ATOM 140 C GLY A 18 -1.481 5.103 -9.223 1.00 4.42 C ATOM 141 O GLY A 18 -1.141 6.211 -9.638 1.00 2.11 O ATOM 0 H GLY A 18 -0.407 6.535 -7.390 1.00 32.24 H new ATOM 0 HA2 GLY A 18 -0.343 3.694 -8.085 1.00 51.33 H new ATOM 0 HA3 GLY A 18 -1.790 4.266 -7.279 1.00 51.33 H new ATOM 145 N SER A 19 -2.314 4.307 -9.884 1.00 54.43 N ATOM 146 CA SER A 19 -2.885 4.696 -11.169 1.00 44.45 C ATOM 147 C SER A 19 -4.190 3.950 -11.430 1.00 44.23 C ATOM 148 O SER A 19 -5.108 4.482 -12.052 1.00 23.43 O ATOM 149 CB SER A 19 -1.891 4.418 -12.298 1.00 3.11 C ATOM 150 OG SER A 19 -0.703 5.172 -12.127 1.00 71.51 O ATOM 0 H SER A 19 -2.609 3.389 -9.552 1.00 54.43 H new ATOM 0 HA SER A 19 -3.097 5.765 -11.137 1.00 44.45 H new ATOM 0 HB2 SER A 19 -1.651 3.355 -12.322 1.00 3.11 H new ATOM 0 HB3 SER A 19 -2.347 4.664 -13.257 1.00 3.11 H new ATOM 0 HG SER A 19 -0.083 4.976 -12.860 1.00 71.51 H new ATOM 156 N GLY A 20 -4.265 2.713 -10.948 1.00 40.03 N ATOM 157 CA GLY A 20 -5.460 1.912 -11.139 1.00 2.14 C ATOM 158 C GLY A 20 -5.687 0.929 -10.008 1.00 43.05 C ATOM 159 O GLY A 20 -6.430 1.213 -9.069 1.00 11.33 O ATOM 0 H GLY A 20 -3.519 2.251 -10.428 1.00 40.03 H new ATOM 0 HA2 GLY A 20 -6.325 2.570 -11.223 1.00 2.14 H new ATOM 0 HA3 GLY A 20 -5.382 1.367 -12.080 1.00 2.14 H new ATOM 163 N TRP A 21 -5.047 -0.231 -10.099 1.00 24.54 N ATOM 164 CA TRP A 21 -5.184 -1.261 -9.075 1.00 72.40 C ATOM 165 C TRP A 21 -4.708 -0.749 -7.721 1.00 25.12 C ATOM 166 O TRP A 21 -5.145 -1.232 -6.675 1.00 21.12 O ATOM 167 CB TRP A 21 -4.393 -2.509 -9.469 1.00 13.41 C ATOM 168 CG TRP A 21 -3.182 -2.206 -10.301 1.00 65.14 C ATOM 169 CD1 TRP A 21 -2.272 -1.210 -10.091 1.00 32.34 C ATOM 170 CD2 TRP A 21 -2.752 -2.906 -11.474 1.00 3.24 C ATOM 171 NE1 TRP A 21 -1.303 -1.247 -11.064 1.00 75.41 N ATOM 172 CE2 TRP A 21 -1.575 -2.278 -11.924 1.00 54.21 C ATOM 173 CE3 TRP A 21 -3.247 -4.001 -12.187 1.00 1.14 C ATOM 174 CZ2 TRP A 21 -0.886 -2.712 -13.055 1.00 3.23 C ATOM 175 CZ3 TRP A 21 -2.564 -4.429 -13.310 1.00 51.42 C ATOM 176 CH2 TRP A 21 -1.393 -3.785 -13.734 1.00 63.11 C ATOM 0 H TRP A 21 -4.429 -0.482 -10.870 1.00 24.54 H new ATOM 0 HA TRP A 21 -6.240 -1.519 -8.994 1.00 72.40 H new ATOM 0 HB2 TRP A 21 -4.082 -3.034 -8.566 1.00 13.41 H new ATOM 0 HB3 TRP A 21 -5.045 -3.185 -10.022 1.00 13.41 H new ATOM 0 HD1 TRP A 21 -2.309 -0.498 -9.280 1.00 32.34 H new ATOM 0 HE1 TRP A 21 -0.510 -0.610 -11.135 1.00 75.41 H new ATOM 0 HE3 TRP A 21 -4.147 -4.504 -11.866 1.00 1.14 H new ATOM 0 HZ2 TRP A 21 0.017 -2.218 -13.384 1.00 3.23 H new ATOM 0 HZ3 TRP A 21 -2.938 -5.273 -13.870 1.00 51.42 H new ATOM 0 HH2 TRP A 21 -0.881 -4.144 -14.615 1.00 63.11 H new ATOM 187 N LEU A 22 -3.813 0.231 -7.744 1.00 35.21 N ATOM 188 CA LEU A 22 -3.278 0.810 -6.516 1.00 54.02 C ATOM 189 C LEU A 22 -4.354 1.592 -5.770 1.00 52.44 C ATOM 190 O LEU A 22 -4.082 2.223 -4.747 1.00 34.35 O ATOM 191 CB LEU A 22 -2.094 1.724 -6.834 1.00 13.25 C ATOM 192 CG LEU A 22 -0.819 1.031 -7.314 1.00 70.02 C ATOM 193 CD1 LEU A 22 -0.861 -0.453 -6.980 1.00 30.25 C ATOM 194 CD2 LEU A 22 -0.630 1.237 -8.809 1.00 31.32 C ATOM 0 H LEU A 22 -3.441 0.642 -8.600 1.00 35.21 H new ATOM 0 HA LEU A 22 -2.938 -0.005 -5.876 1.00 54.02 H new ATOM 0 HB2 LEU A 22 -2.406 2.436 -7.598 1.00 13.25 H new ATOM 0 HB3 LEU A 22 -1.856 2.300 -5.940 1.00 13.25 H new ATOM 0 HG LEU A 22 0.031 1.476 -6.796 1.00 70.02 H new ATOM 0 HD11 LEU A 22 0.055 -0.931 -7.329 1.00 30.25 H new ATOM 0 HD12 LEU A 22 -0.948 -0.581 -5.901 1.00 30.25 H new ATOM 0 HD13 LEU A 22 -1.719 -0.912 -7.470 1.00 30.25 H new ATOM 0 HD21 LEU A 22 0.283 0.737 -9.133 1.00 31.32 H new ATOM 0 HD22 LEU A 22 -1.482 0.819 -9.345 1.00 31.32 H new ATOM 0 HD23 LEU A 22 -0.555 2.303 -9.023 1.00 31.32 H new ATOM 206 N THR A 23 -5.578 1.543 -6.285 1.00 0.25 N ATOM 207 CA THR A 23 -6.696 2.246 -5.666 1.00 34.33 C ATOM 208 C THR A 23 -7.200 1.501 -4.437 1.00 65.44 C ATOM 209 O THR A 23 -8.298 1.765 -3.946 1.00 74.22 O ATOM 210 CB THR A 23 -7.861 2.430 -6.657 1.00 73.52 C ATOM 211 OG1 THR A 23 -8.227 1.165 -7.222 1.00 53.31 O ATOM 212 CG2 THR A 23 -7.481 3.396 -7.768 1.00 31.10 C ATOM 0 H THR A 23 -5.821 1.024 -7.129 1.00 0.25 H new ATOM 0 HA THR A 23 -6.327 3.227 -5.366 1.00 34.33 H new ATOM 0 HB THR A 23 -8.709 2.845 -6.113 1.00 73.52 H new ATOM 0 HG1 THR A 23 -7.698 1.003 -8.031 1.00 53.31 H new ATOM 0 HG21 THR A 23 -8.320 3.509 -8.455 1.00 31.10 H new ATOM 0 HG22 THR A 23 -7.231 4.366 -7.337 1.00 31.10 H new ATOM 0 HG23 THR A 23 -6.619 3.007 -8.310 1.00 31.10 H new ATOM 220 N GLY A 24 -6.393 0.568 -3.942 1.00 2.22 N ATOM 221 CA GLY A 24 -6.775 -0.201 -2.772 1.00 22.23 C ATOM 222 C GLY A 24 -6.851 -1.688 -3.056 1.00 3.21 C ATOM 223 O GLY A 24 -7.865 -2.328 -2.777 1.00 32.51 O ATOM 0 H GLY A 24 -5.480 0.331 -4.331 1.00 2.22 H new ATOM 0 HA2 GLY A 24 -6.055 -0.023 -1.973 1.00 22.23 H new ATOM 0 HA3 GLY A 24 -7.743 0.147 -2.412 1.00 22.23 H new ATOM 227 N TRP A 25 -5.778 -2.237 -3.610 1.00 55.22 N ATOM 228 CA TRP A 25 -5.727 -3.659 -3.933 1.00 50.14 C ATOM 229 C TRP A 25 -4.484 -4.309 -3.335 1.00 33.10 C ATOM 230 O TRP A 25 -3.850 -5.157 -3.965 1.00 14.14 O ATOM 231 CB TRP A 25 -5.743 -3.860 -5.449 1.00 74.52 C ATOM 232 CG TRP A 25 -4.374 -3.903 -6.058 1.00 1.42 C ATOM 233 CD1 TRP A 25 -3.393 -2.959 -5.936 1.00 32.42 C ATOM 234 CD2 TRP A 25 -3.834 -4.941 -6.883 1.00 24.32 C ATOM 235 NE1 TRP A 25 -2.278 -3.348 -6.637 1.00 53.24 N ATOM 236 CE2 TRP A 25 -2.522 -4.561 -7.226 1.00 11.44 C ATOM 237 CE3 TRP A 25 -4.332 -6.154 -7.364 1.00 73.32 C ATOM 238 CZ2 TRP A 25 -1.705 -5.352 -8.029 1.00 53.50 C ATOM 239 CZ3 TRP A 25 -3.519 -6.938 -8.161 1.00 52.20 C ATOM 240 CH2 TRP A 25 -2.217 -6.535 -8.486 1.00 4.11 C ATOM 0 H TRP A 25 -4.931 -1.720 -3.846 1.00 55.22 H new ATOM 0 HA TRP A 25 -6.607 -4.136 -3.501 1.00 50.14 H new ATOM 0 HB2 TRP A 25 -6.264 -4.789 -5.679 1.00 74.52 H new ATOM 0 HB3 TRP A 25 -6.312 -3.052 -5.909 1.00 74.52 H new ATOM 0 HD1 TRP A 25 -3.482 -2.042 -5.372 1.00 32.42 H new ATOM 0 HE1 TRP A 25 -1.409 -2.819 -6.708 1.00 53.24 H new ATOM 0 HE3 TRP A 25 -5.334 -6.474 -7.118 1.00 73.32 H new ATOM 0 HZ2 TRP A 25 -0.702 -5.042 -8.282 1.00 53.50 H new ATOM 0 HZ3 TRP A 25 -3.894 -7.877 -8.540 1.00 52.20 H new ATOM 0 HH2 TRP A 25 -1.606 -7.171 -9.109 1.00 4.11 H new ATOM 251 N LEU A 26 -4.140 -3.909 -2.116 1.00 11.54 N ATOM 252 CA LEU A 26 -2.973 -4.453 -1.432 1.00 14.32 C ATOM 253 C LEU A 26 -3.223 -4.568 0.068 1.00 10.55 C ATOM 254 O LEU A 26 -4.120 -3.932 0.622 1.00 64.21 O ATOM 255 CB LEU A 26 -1.749 -3.571 -1.691 1.00 52.31 C ATOM 256 CG LEU A 26 -1.992 -2.062 -1.666 1.00 31.11 C ATOM 257 CD1 LEU A 26 -2.638 -1.604 -2.964 1.00 22.33 C ATOM 258 CD2 LEU A 26 -2.856 -1.680 -0.474 1.00 23.20 C ATOM 0 H LEU A 26 -4.654 -3.209 -1.581 1.00 11.54 H new ATOM 0 HA LEU A 26 -2.785 -5.452 -1.826 1.00 14.32 H new ATOM 0 HB2 LEU A 26 -0.990 -3.809 -0.945 1.00 52.31 H new ATOM 0 HB3 LEU A 26 -1.334 -3.836 -2.664 1.00 52.31 H new ATOM 0 HG LEU A 26 -1.030 -1.560 -1.566 1.00 31.11 H new ATOM 0 HD11 LEU A 26 -2.803 -0.527 -2.928 1.00 22.33 H new ATOM 0 HD12 LEU A 26 -1.982 -1.842 -3.801 1.00 22.33 H new ATOM 0 HD13 LEU A 26 -3.593 -2.114 -3.095 1.00 22.33 H new ATOM 0 HD21 LEU A 26 -3.018 -0.602 -0.473 1.00 23.20 H new ATOM 0 HD22 LEU A 26 -3.816 -2.191 -0.542 1.00 23.20 H new ATOM 0 HD23 LEU A 26 -2.354 -1.972 0.448 1.00 23.20 H new ATOM 270 N PRO A 27 -2.411 -5.394 0.743 1.00 34.44 N ATOM 271 CA PRO A 27 -2.524 -5.609 2.189 1.00 14.35 C ATOM 272 C PRO A 27 -2.103 -4.382 2.991 1.00 2.20 C ATOM 273 O PRO A 27 -1.960 -3.287 2.444 1.00 63.44 O ATOM 274 CB PRO A 27 -1.565 -6.772 2.450 1.00 62.54 C ATOM 275 CG PRO A 27 -0.571 -6.700 1.343 1.00 50.12 C ATOM 276 CD PRO A 27 -1.319 -6.182 0.147 1.00 21.34 C ATOM 0 HA PRO A 27 -3.551 -5.809 2.493 1.00 14.35 H new ATOM 0 HB2 PRO A 27 -1.082 -6.676 3.422 1.00 62.54 H new ATOM 0 HB3 PRO A 27 -2.091 -7.727 2.448 1.00 62.54 H new ATOM 0 HG2 PRO A 27 0.255 -6.038 1.603 1.00 50.12 H new ATOM 0 HG3 PRO A 27 -0.142 -7.681 1.140 1.00 50.12 H new ATOM 0 HD2 PRO A 27 -0.682 -5.569 -0.490 1.00 21.34 H new ATOM 0 HD3 PRO A 27 -1.701 -6.995 -0.471 1.00 21.34 H new ATOM 284 N THR A 28 -1.906 -4.571 4.292 1.00 13.01 N ATOM 285 CA THR A 28 -1.503 -3.480 5.171 1.00 35.12 C ATOM 286 C THR A 28 -0.211 -2.832 4.686 1.00 54.15 C ATOM 287 O THR A 28 0.142 -1.733 5.112 1.00 62.02 O ATOM 288 CB THR A 28 -1.308 -3.967 6.618 1.00 4.44 C ATOM 289 OG1 THR A 28 -0.403 -5.076 6.645 1.00 53.32 O ATOM 290 CG2 THR A 28 -2.637 -4.376 7.235 1.00 41.43 C ATOM 0 H THR A 28 -2.019 -5.470 4.761 1.00 13.01 H new ATOM 0 HA THR A 28 -2.306 -2.743 5.149 1.00 35.12 H new ATOM 0 HB THR A 28 -0.892 -3.145 7.201 1.00 4.44 H new ATOM 0 HG1 THR A 28 -0.283 -5.378 7.570 1.00 53.32 H new ATOM 0 HG21 THR A 28 -2.474 -4.717 8.258 1.00 41.43 H new ATOM 0 HG22 THR A 28 -3.314 -3.522 7.241 1.00 41.43 H new ATOM 0 HG23 THR A 28 -3.077 -5.183 6.649 1.00 41.43 H new ATOM 298 N TRP A 29 0.491 -3.522 3.794 1.00 13.33 N ATOM 299 CA TRP A 29 1.746 -3.012 3.251 1.00 32.33 C ATOM 300 C TRP A 29 1.498 -1.819 2.334 1.00 60.24 C ATOM 301 O TRP A 29 1.297 -1.981 1.130 1.00 74.10 O ATOM 302 CB TRP A 29 2.478 -4.115 2.485 1.00 15.21 C ATOM 303 CG TRP A 29 2.877 -5.273 3.349 1.00 54.14 C ATOM 304 CD1 TRP A 29 2.110 -5.893 4.293 1.00 43.04 C ATOM 305 CD2 TRP A 29 4.139 -5.949 3.348 1.00 33.11 C ATOM 306 NE1 TRP A 29 2.820 -6.913 4.879 1.00 44.53 N ATOM 307 CE2 TRP A 29 4.067 -6.969 4.317 1.00 14.04 C ATOM 308 CE3 TRP A 29 5.323 -5.793 2.622 1.00 1.12 C ATOM 309 CZ2 TRP A 29 5.134 -7.824 4.577 1.00 70.33 C ATOM 310 CZ3 TRP A 29 6.381 -6.643 2.881 1.00 53.31 C ATOM 311 CH2 TRP A 29 6.280 -7.649 3.852 1.00 34.41 C ATOM 0 H TRP A 29 0.214 -4.434 3.432 1.00 13.33 H new ATOM 0 HA TRP A 29 2.367 -2.683 4.084 1.00 32.33 H new ATOM 0 HB2 TRP A 29 1.837 -4.475 1.680 1.00 15.21 H new ATOM 0 HB3 TRP A 29 3.369 -3.694 2.019 1.00 15.21 H new ATOM 0 HD1 TRP A 29 1.095 -5.622 4.542 1.00 43.04 H new ATOM 0 HE1 TRP A 29 2.474 -7.529 5.614 1.00 44.53 H new ATOM 0 HE3 TRP A 29 5.409 -5.021 1.871 1.00 1.12 H new ATOM 0 HZ2 TRP A 29 5.059 -8.599 5.326 1.00 70.33 H new ATOM 0 HZ3 TRP A 29 7.301 -6.531 2.326 1.00 53.31 H new ATOM 0 HH2 TRP A 29 7.124 -8.299 4.031 1.00 34.41 H new ATOM 322 N CYS A 30 1.513 -0.623 2.911 1.00 1.15 N ATOM 323 CA CYS A 30 1.288 0.598 2.145 1.00 33.22 C ATOM 324 C CYS A 30 2.010 1.781 2.783 1.00 61.41 C ATOM 325 O CYS A 30 1.398 2.654 3.399 1.00 44.23 O ATOM 326 CB CYS A 30 -0.209 0.893 2.042 1.00 72.42 C ATOM 327 SG CYS A 30 -0.650 2.009 0.690 1.00 5.42 S ATOM 0 H CYS A 30 1.678 -0.472 3.906 1.00 1.15 H new ATOM 0 HA CYS A 30 1.690 0.448 1.143 1.00 33.22 H new ATOM 0 HB2 CYS A 30 -0.746 -0.047 1.913 1.00 72.42 H new ATOM 0 HB3 CYS A 30 -0.548 1.327 2.982 1.00 72.42 H new ATOM 0 HG CYS A 30 -1.936 2.196 0.684 1.00 5.42 H new ATOM 333 N PRO A 31 3.342 1.812 2.636 1.00 61.44 N ATOM 334 CA PRO A 31 4.176 2.881 3.192 1.00 62.02 C ATOM 335 C PRO A 31 3.968 4.210 2.475 1.00 41.51 C ATOM 336 O PRO A 31 4.826 4.658 1.712 1.00 4.31 O ATOM 337 CB PRO A 31 5.602 2.371 2.970 1.00 72.41 C ATOM 338 CG PRO A 31 5.496 1.442 1.810 1.00 45.24 C ATOM 339 CD PRO A 31 4.138 0.804 1.914 1.00 4.31 C ATOM 0 HA PRO A 31 3.939 3.081 4.237 1.00 62.02 H new ATOM 0 HB2 PRO A 31 6.287 3.192 2.759 1.00 72.41 H new ATOM 0 HB3 PRO A 31 5.981 1.859 3.854 1.00 72.41 H new ATOM 0 HG2 PRO A 31 5.604 1.980 0.868 1.00 45.24 H new ATOM 0 HG3 PRO A 31 6.284 0.690 1.839 1.00 45.24 H new ATOM 0 HD2 PRO A 31 3.719 0.589 0.931 1.00 4.31 H new ATOM 0 HD3 PRO A 31 4.178 -0.140 2.457 1.00 4.31 H new ATOM 347 N THR A 32 2.824 4.839 2.724 1.00 22.22 N ATOM 348 CA THR A 32 2.503 6.117 2.102 1.00 11.34 C ATOM 349 C THR A 32 2.891 7.282 3.006 1.00 13.14 C ATOM 350 O THR A 32 2.201 8.301 3.053 1.00 74.12 O ATOM 351 CB THR A 32 1.002 6.219 1.768 1.00 0.11 C ATOM 352 OG1 THR A 32 0.220 5.876 2.918 1.00 51.42 O ATOM 353 CG2 THR A 32 0.642 5.299 0.611 1.00 2.33 C ATOM 0 H THR A 32 2.104 4.484 3.353 1.00 22.22 H new ATOM 0 HA THR A 32 3.078 6.171 1.177 1.00 11.34 H new ATOM 0 HB THR A 32 0.786 7.247 1.476 1.00 0.11 H new ATOM 0 HG1 THR A 32 -0.733 5.945 2.698 1.00 51.42 H new ATOM 0 HG21 THR A 32 -0.422 5.388 0.393 1.00 2.33 H new ATOM 0 HG22 THR A 32 1.218 5.581 -0.271 1.00 2.33 H new ATOM 0 HG23 THR A 32 0.872 4.268 0.881 1.00 2.33 H new ATOM 361 N SER A 33 4.000 7.125 3.723 1.00 31.55 N ATOM 362 CA SER A 33 4.477 8.163 4.627 1.00 43.33 C ATOM 363 C SER A 33 5.122 9.308 3.851 1.00 74.43 C ATOM 364 O SER A 33 6.340 9.487 3.882 1.00 72.22 O ATOM 365 CB SER A 33 5.481 7.579 5.623 1.00 73.15 C ATOM 366 OG SER A 33 5.146 6.243 5.960 1.00 1.20 O ATOM 0 H SER A 33 4.584 6.289 3.695 1.00 31.55 H new ATOM 0 HA SER A 33 3.619 8.556 5.173 1.00 43.33 H new ATOM 0 HB2 SER A 33 6.483 7.609 5.195 1.00 73.15 H new ATOM 0 HB3 SER A 33 5.501 8.191 6.525 1.00 73.15 H new ATOM 0 HG SER A 33 5.948 5.682 5.910 1.00 1.20 H new ATOM 372 N THR A 34 4.295 10.080 3.153 1.00 4.21 N ATOM 373 CA THR A 34 4.782 11.206 2.367 1.00 1.22 C ATOM 374 C THR A 34 4.689 12.508 3.154 1.00 24.34 C ATOM 375 O THR A 34 4.549 13.586 2.575 1.00 54.32 O ATOM 376 CB THR A 34 3.995 11.356 1.052 1.00 64.51 C ATOM 377 OG1 THR A 34 3.703 10.065 0.505 1.00 31.31 O ATOM 378 CG2 THR A 34 4.781 12.175 0.040 1.00 4.03 C ATOM 0 H THR A 34 3.285 9.946 3.116 1.00 4.21 H new ATOM 0 HA THR A 34 5.827 11.000 2.134 1.00 1.22 H new ATOM 0 HB THR A 34 3.063 11.877 1.271 1.00 64.51 H new ATOM 0 HG1 THR A 34 3.201 10.169 -0.330 1.00 31.31 H new ATOM 0 HG21 THR A 34 4.204 12.267 -0.880 1.00 4.03 H new ATOM 0 HG22 THR A 34 4.975 13.167 0.447 1.00 4.03 H new ATOM 0 HG23 THR A 34 5.728 11.679 -0.173 1.00 4.03 H new ATOM 386 N SER A 35 4.765 12.402 4.477 1.00 32.44 N ATOM 387 CA SER A 35 4.685 13.571 5.343 1.00 23.32 C ATOM 388 C SER A 35 5.684 14.639 4.908 1.00 3.25 C ATOM 389 O SER A 35 6.545 14.392 4.063 1.00 4.51 O ATOM 390 CB SER A 35 4.946 13.174 6.797 1.00 51.13 C ATOM 391 OG SER A 35 6.334 13.180 7.086 1.00 55.10 O ATOM 0 H SER A 35 4.882 11.518 4.972 1.00 32.44 H new ATOM 0 HA SER A 35 3.680 13.984 5.262 1.00 23.32 H new ATOM 0 HB2 SER A 35 4.429 13.864 7.464 1.00 51.13 H new ATOM 0 HB3 SER A 35 4.536 12.182 6.986 1.00 51.13 H new ATOM 0 HG SER A 35 6.474 12.925 8.022 1.00 55.10 H new ATOM 397 N HIS A 36 5.562 15.828 5.492 1.00 62.31 N ATOM 398 CA HIS A 36 6.455 16.934 5.166 1.00 65.11 C ATOM 399 C HIS A 36 6.371 18.029 6.225 1.00 53.21 C ATOM 400 O HIS A 36 7.274 18.181 7.049 1.00 33.10 O ATOM 401 CB HIS A 36 6.107 17.509 3.793 1.00 52.11 C ATOM 402 CG HIS A 36 6.872 18.751 3.453 1.00 2.44 C ATOM 403 ND1 HIS A 36 8.229 18.880 3.656 1.00 73.32 N ATOM 404 CD2 HIS A 36 6.460 19.926 2.919 1.00 11.32 C ATOM 405 CE1 HIS A 36 8.620 20.078 3.264 1.00 11.13 C ATOM 406 NE2 HIS A 36 7.566 20.733 2.812 1.00 50.01 N ATOM 0 H HIS A 36 4.854 16.049 6.192 1.00 62.31 H new ATOM 0 HA HIS A 36 7.475 16.551 5.144 1.00 65.11 H new ATOM 0 HB2 HIS A 36 6.300 16.753 3.032 1.00 52.11 H new ATOM 0 HB3 HIS A 36 5.040 17.729 3.760 1.00 52.11 H new ATOM 0 HD2 HIS A 36 5.451 20.180 2.631 1.00 11.32 H new ATOM 0 HE1 HIS A 36 9.630 20.458 3.306 1.00 11.13 H new ATOM 0 HE2 HIS A 36 7.572 21.684 2.443 1.00 50.01 H new ATOM 414 N LEU A 37 5.283 18.791 6.198 1.00 73.30 N ATOM 415 CA LEU A 37 5.082 19.873 7.155 1.00 23.52 C ATOM 416 C LEU A 37 4.638 19.327 8.509 1.00 55.02 C ATOM 417 O LEU A 37 3.545 19.633 8.986 1.00 53.42 O ATOM 418 CB LEU A 37 4.041 20.861 6.626 1.00 12.23 C ATOM 419 CG LEU A 37 4.559 21.928 5.659 1.00 42.13 C ATOM 420 CD1 LEU A 37 3.412 22.527 4.861 1.00 63.10 C ATOM 421 CD2 LEU A 37 5.308 23.014 6.418 1.00 31.44 C ATOM 0 H LEU A 37 4.526 18.679 5.523 1.00 73.30 H new ATOM 0 HA LEU A 37 6.032 20.390 7.286 1.00 23.52 H new ATOM 0 HB2 LEU A 37 3.255 20.296 6.125 1.00 12.23 H new ATOM 0 HB3 LEU A 37 3.580 21.363 7.477 1.00 12.23 H new ATOM 0 HG LEU A 37 5.251 21.456 4.962 1.00 42.13 H new ATOM 0 HD11 LEU A 37 3.800 23.284 4.179 1.00 63.10 H new ATOM 0 HD12 LEU A 37 2.918 21.742 4.289 1.00 63.10 H new ATOM 0 HD13 LEU A 37 2.695 22.986 5.542 1.00 63.10 H new ATOM 0 HD21 LEU A 37 5.670 23.765 5.716 1.00 31.44 H new ATOM 0 HD22 LEU A 37 4.637 23.483 7.138 1.00 31.44 H new ATOM 0 HD23 LEU A 37 6.154 22.572 6.945 1.00 31.44 H new ATOM 433 N LYS A 38 5.495 18.519 9.123 1.00 70.11 N ATOM 434 CA LYS A 38 5.195 17.932 10.424 1.00 13.13 C ATOM 435 C LYS A 38 4.800 19.009 11.428 1.00 5.24 C ATOM 436 O LYS A 38 5.202 20.166 11.303 1.00 74.42 O ATOM 437 CB LYS A 38 6.404 17.153 10.946 1.00 61.04 C ATOM 438 CG LYS A 38 6.877 16.061 10.002 1.00 52.44 C ATOM 439 CD LYS A 38 8.354 15.758 10.197 1.00 60.44 C ATOM 440 CE LYS A 38 9.214 16.499 9.185 1.00 33.44 C ATOM 441 NZ LYS A 38 9.357 15.736 7.914 1.00 55.24 N ATOM 0 H LYS A 38 6.403 18.255 8.741 1.00 70.11 H new ATOM 0 HA LYS A 38 4.355 17.248 10.301 1.00 13.13 H new ATOM 0 HB2 LYS A 38 7.224 17.848 11.124 1.00 61.04 H new ATOM 0 HB3 LYS A 38 6.150 16.706 11.907 1.00 61.04 H new ATOM 0 HG2 LYS A 38 6.293 15.156 10.170 1.00 52.44 H new ATOM 0 HG3 LYS A 38 6.700 16.368 8.971 1.00 52.44 H new ATOM 0 HD2 LYS A 38 8.654 16.040 11.206 1.00 60.44 H new ATOM 0 HD3 LYS A 38 8.522 14.685 10.102 1.00 60.44 H new ATOM 0 HE2 LYS A 38 8.771 17.473 8.976 1.00 33.44 H new ATOM 0 HE3 LYS A 38 10.200 16.682 9.612 1.00 33.44 H new ATOM 0 HZ1 LYS A 38 9.950 16.275 7.251 1.00 55.24 H new ATOM 0 HZ2 LYS A 38 9.803 14.817 8.109 1.00 55.24 H new ATOM 0 HZ3 LYS A 38 8.418 15.583 7.493 1.00 55.24 H new ATOM 455 N GLU A 39 4.010 18.623 12.425 1.00 71.52 N ATOM 456 CA GLU A 39 3.561 19.556 13.451 1.00 40.52 C ATOM 457 C GLU A 39 4.750 20.215 14.145 1.00 15.12 C ATOM 458 O GLU A 39 4.634 21.311 14.691 1.00 3.54 O ATOM 459 CB GLU A 39 2.690 18.837 14.483 1.00 74.33 C ATOM 460 CG GLU A 39 1.308 19.446 14.645 1.00 3.42 C ATOM 461 CD GLU A 39 0.259 18.421 15.026 1.00 23.14 C ATOM 462 OE1 GLU A 39 0.631 17.258 15.287 1.00 11.34 O ATOM 463 OE2 GLU A 39 -0.937 18.783 15.064 1.00 72.53 O ATOM 0 H GLU A 39 3.668 17.670 12.544 1.00 71.52 H new ATOM 0 HA GLU A 39 2.969 20.331 12.965 1.00 40.52 H new ATOM 0 HB2 GLU A 39 2.585 17.792 14.192 1.00 74.33 H new ATOM 0 HB3 GLU A 39 3.199 18.850 15.447 1.00 74.33 H new ATOM 0 HG2 GLU A 39 1.345 20.223 15.408 1.00 3.42 H new ATOM 0 HG3 GLU A 39 1.016 19.929 13.712 1.00 3.42 H new ATOM 470 N ALA A 40 5.893 19.538 14.117 1.00 3.22 N ATOM 471 CA ALA A 40 7.103 20.057 14.741 1.00 14.33 C ATOM 472 C ALA A 40 6.931 20.188 16.251 1.00 35.22 C ATOM 473 O ALA A 40 5.835 19.999 16.776 1.00 3.03 O ATOM 474 CB ALA A 40 7.477 21.400 14.132 1.00 3.44 C ATOM 0 H ALA A 40 6.006 18.629 13.669 1.00 3.22 H new ATOM 0 HA ALA A 40 7.910 19.348 14.554 1.00 14.33 H new ATOM 0 HB1 ALA A 40 8.383 21.776 14.608 1.00 3.44 H new ATOM 0 HB2 ALA A 40 7.652 21.279 13.063 1.00 3.44 H new ATOM 0 HB3 ALA A 40 6.664 22.109 14.288 1.00 3.44 H new ATOM 480 N GLU A 41 8.020 20.511 16.941 1.00 74.42 N ATOM 481 CA GLU A 41 7.987 20.665 18.390 1.00 73.34 C ATOM 482 C GLU A 41 6.873 21.619 18.811 1.00 73.14 C ATOM 483 O GLU A 41 6.770 22.732 18.299 1.00 5.21 O ATOM 484 CB GLU A 41 9.334 21.180 18.901 1.00 71.13 C ATOM 485 CG GLU A 41 10.524 20.388 18.385 1.00 12.53 C ATOM 486 CD GLU A 41 11.505 20.027 19.484 1.00 63.42 C ATOM 487 OE1 GLU A 41 11.577 20.773 20.483 1.00 50.11 O ATOM 488 OE2 GLU A 41 12.200 18.998 19.345 1.00 11.34 O ATOM 0 H GLU A 41 8.935 20.671 16.520 1.00 74.42 H new ATOM 0 HA GLU A 41 7.789 19.687 18.829 1.00 73.34 H new ATOM 0 HB2 GLU A 41 9.449 22.224 18.609 1.00 71.13 H new ATOM 0 HB3 GLU A 41 9.335 21.152 19.991 1.00 71.13 H new ATOM 0 HG2 GLU A 41 10.168 19.476 17.906 1.00 12.53 H new ATOM 0 HG3 GLU A 41 11.039 20.970 17.620 1.00 12.53 H new ATOM 495 N GLU A 42 6.041 21.171 19.746 1.00 61.42 N ATOM 496 CA GLU A 42 4.934 21.983 20.235 1.00 43.01 C ATOM 497 C GLU A 42 5.428 23.049 21.209 1.00 73.42 C ATOM 498 O GLU A 42 6.365 22.819 21.974 1.00 51.00 O ATOM 499 CB GLU A 42 3.886 21.101 20.916 1.00 71.41 C ATOM 500 CG GLU A 42 2.486 21.270 20.350 1.00 10.11 C ATOM 501 CD GLU A 42 1.537 20.178 20.805 1.00 12.14 C ATOM 502 OE1 GLU A 42 1.457 19.137 20.121 1.00 13.40 O ATOM 503 OE2 GLU A 42 0.872 20.366 21.846 1.00 14.53 O ATOM 0 H GLU A 42 6.113 20.251 20.180 1.00 61.42 H new ATOM 0 HA GLU A 42 4.478 22.481 19.379 1.00 43.01 H new ATOM 0 HB2 GLU A 42 4.184 20.057 20.819 1.00 71.41 H new ATOM 0 HB3 GLU A 42 3.868 21.330 21.982 1.00 71.41 H new ATOM 0 HG2 GLU A 42 2.090 22.239 20.653 1.00 10.11 H new ATOM 0 HG3 GLU A 42 2.536 21.272 19.261 1.00 10.11 H new ATOM 510 N LYS A 43 4.792 24.215 21.175 1.00 74.23 N ATOM 511 CA LYS A 43 5.165 25.316 22.054 1.00 54.12 C ATOM 512 C LYS A 43 5.217 24.858 23.508 1.00 5.33 C ATOM 513 O LYS A 43 4.865 25.635 24.395 1.00 54.44 O ATOM 514 CB LYS A 43 4.174 26.472 21.906 1.00 3.43 C ATOM 515 CG LYS A 43 4.835 27.839 21.858 1.00 44.22 C ATOM 516 CD LYS A 43 5.700 28.083 23.084 1.00 22.41 C ATOM 517 CE LYS A 43 6.231 29.507 23.116 1.00 43.53 C ATOM 518 NZ LYS A 43 7.068 29.761 24.322 1.00 64.54 N ATOM 0 H LYS A 43 4.015 24.422 20.547 1.00 74.23 H new ATOM 0 HA LYS A 43 6.158 25.659 21.765 1.00 54.12 H new ATOM 0 HB2 LYS A 43 3.593 26.327 20.995 1.00 3.43 H new ATOM 0 HB3 LYS A 43 3.472 26.446 22.739 1.00 3.43 H new ATOM 0 HG2 LYS A 43 5.446 27.917 20.959 1.00 44.22 H new ATOM 0 HG3 LYS A 43 4.070 28.612 21.792 1.00 44.22 H new ATOM 0 HD2 LYS A 43 5.118 27.890 23.985 1.00 22.41 H new ATOM 0 HD3 LYS A 43 6.535 27.382 23.087 1.00 22.41 H new ATOM 0 HE2 LYS A 43 6.821 29.695 22.219 1.00 43.53 H new ATOM 0 HE3 LYS A 43 5.395 30.207 23.100 1.00 43.53 H new ATOM 0 HZ1 LYS A 43 7.411 30.743 24.306 1.00 64.54 H new ATOM 0 HZ2 LYS A 43 6.499 29.607 25.179 1.00 64.54 H new ATOM 0 HZ3 LYS A 43 7.880 29.111 24.324 1.00 64.54 H new TER 532 LYS A 43