USER MOD reduce.3.24.130724 H: found=0, std=0, add=253, rem=0, adj=11 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 Set 1.1: A 35 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 0:sc= 0.245 USER MOD Single : A 23 THR OG1 : rot -102:sc= 1.22 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0902 USER MOD Single : A 36 HIS : no HD1:sc= -0.222 X(o=-0.22,f=-0.41) USER MOD Single : A 43 LYS NZ :NH3+ -142:sc= 0.428 (180deg=-0.043) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 5 -6.941 0.534 15.176 1.00 4.10 N ATOM 2 CA GLY A 5 -5.578 1.013 15.323 1.00 12.54 C ATOM 3 C GLY A 5 -4.614 0.310 14.390 1.00 65.04 C ATOM 4 O GLY A 5 -3.754 -0.452 14.833 1.00 53.33 O ATOM 0 HA2 GLY A 5 -5.550 2.085 15.129 1.00 12.54 H new ATOM 0 HA3 GLY A 5 -5.254 0.867 16.353 1.00 12.54 H new ATOM 8 N ALA A 6 -4.754 0.566 13.093 1.00 20.13 N ATOM 9 CA ALA A 6 -3.887 -0.047 12.095 1.00 74.10 C ATOM 10 C ALA A 6 -2.687 0.843 11.788 1.00 33.42 C ATOM 11 O ALA A 6 -2.671 2.021 12.141 1.00 11.45 O ATOM 12 CB ALA A 6 -4.670 -0.338 10.823 1.00 4.20 C ATOM 0 H ALA A 6 -5.460 1.194 12.709 1.00 20.13 H new ATOM 0 HA ALA A 6 -3.514 -0.987 12.502 1.00 74.10 H new ATOM 0 HB1 ALA A 6 -4.010 -0.796 10.086 1.00 4.20 H new ATOM 0 HB2 ALA A 6 -5.490 -1.020 11.049 1.00 4.20 H new ATOM 0 HB3 ALA A 6 -5.071 0.593 10.422 1.00 4.20 H new ATOM 18 N MET A 7 -1.685 0.271 11.129 1.00 32.33 N ATOM 19 CA MET A 7 -0.481 1.013 10.775 1.00 12.14 C ATOM 20 C MET A 7 -0.241 0.974 9.269 1.00 11.32 C ATOM 21 O MET A 7 -0.961 0.300 8.534 1.00 50.42 O ATOM 22 CB MET A 7 0.732 0.442 11.512 1.00 22.54 C ATOM 23 CG MET A 7 0.863 -1.067 11.387 1.00 13.13 C ATOM 24 SD MET A 7 0.202 -1.942 12.819 1.00 33.14 S ATOM 25 CE MET A 7 1.571 -3.028 13.213 1.00 12.41 C ATOM 0 H MET A 7 -1.683 -0.704 10.829 1.00 32.33 H new ATOM 0 HA MET A 7 -0.623 2.051 11.075 1.00 12.14 H new ATOM 0 HB2 MET A 7 1.636 0.911 11.124 1.00 22.54 H new ATOM 0 HB3 MET A 7 0.664 0.707 12.567 1.00 22.54 H new ATOM 0 HG2 MET A 7 0.341 -1.400 10.490 1.00 13.13 H new ATOM 0 HG3 MET A 7 1.914 -1.327 11.260 1.00 13.13 H new ATOM 0 HE1 MET A 7 1.315 -3.636 14.080 1.00 12.41 H new ATOM 0 HE2 MET A 7 1.777 -3.677 12.362 1.00 12.41 H new ATOM 0 HE3 MET A 7 2.456 -2.432 13.437 1.00 12.41 H new ATOM 35 N GLY A 8 0.776 1.702 8.817 1.00 12.14 N ATOM 36 CA GLY A 8 1.092 1.736 7.402 1.00 54.23 C ATOM 37 C GLY A 8 2.573 1.930 7.142 1.00 32.10 C ATOM 38 O GLY A 8 2.970 2.335 6.050 1.00 20.51 O ATOM 0 H GLY A 8 1.386 2.269 9.406 1.00 12.14 H new ATOM 0 HA2 GLY A 8 0.764 0.806 6.937 1.00 54.23 H new ATOM 0 HA3 GLY A 8 0.534 2.544 6.928 1.00 54.23 H new ATOM 42 N SER A 9 3.390 1.642 8.149 1.00 64.42 N ATOM 43 CA SER A 9 4.836 1.792 8.027 1.00 62.13 C ATOM 44 C SER A 9 5.212 3.251 7.788 1.00 4.24 C ATOM 45 O SER A 9 4.376 4.063 7.389 1.00 61.33 O ATOM 46 CB SER A 9 5.365 0.924 6.883 1.00 31.35 C ATOM 47 OG SER A 9 5.965 -0.261 7.379 1.00 42.22 O ATOM 0 H SER A 9 3.076 1.303 9.059 1.00 64.42 H new ATOM 0 HA SER A 9 5.291 1.466 8.962 1.00 62.13 H new ATOM 0 HB2 SER A 9 4.548 0.667 6.209 1.00 31.35 H new ATOM 0 HB3 SER A 9 6.093 1.488 6.301 1.00 31.35 H new ATOM 0 HG SER A 9 6.294 -0.800 6.629 1.00 42.22 H new ATOM 53 N VAL A 10 6.476 3.578 8.036 1.00 25.01 N ATOM 54 CA VAL A 10 6.966 4.939 7.848 1.00 51.13 C ATOM 55 C VAL A 10 8.458 4.949 7.542 1.00 64.25 C ATOM 56 O VAL A 10 9.114 3.907 7.563 1.00 43.14 O ATOM 57 CB VAL A 10 6.702 5.807 9.093 1.00 2.01 C ATOM 58 CG1 VAL A 10 5.228 6.168 9.191 1.00 72.15 C ATOM 59 CG2 VAL A 10 7.169 5.090 10.351 1.00 72.25 C ATOM 0 H VAL A 10 7.180 2.919 8.368 1.00 25.01 H new ATOM 0 HA VAL A 10 6.422 5.357 7.001 1.00 51.13 H new ATOM 0 HB VAL A 10 7.271 6.732 8.997 1.00 2.01 H new ATOM 0 HG11 VAL A 10 5.062 6.781 10.077 1.00 72.15 H new ATOM 0 HG12 VAL A 10 4.930 6.725 8.303 1.00 72.15 H new ATOM 0 HG13 VAL A 10 4.634 5.257 9.264 1.00 72.15 H new ATOM 0 HG21 VAL A 10 6.975 5.718 11.221 1.00 72.25 H new ATOM 0 HG22 VAL A 10 6.629 4.149 10.455 1.00 72.25 H new ATOM 0 HG23 VAL A 10 8.238 4.889 10.280 1.00 72.25 H new ATOM 69 N ASP A 11 8.991 6.133 7.257 1.00 73.40 N ATOM 70 CA ASP A 11 10.408 6.278 6.948 1.00 43.44 C ATOM 71 C ASP A 11 10.776 5.487 5.697 1.00 42.25 C ATOM 72 O ASP A 11 11.902 5.009 5.562 1.00 51.53 O ATOM 73 CB ASP A 11 11.261 5.814 8.130 1.00 63.14 C ATOM 74 CG ASP A 11 12.562 6.585 8.243 1.00 72.11 C ATOM 75 OD1 ASP A 11 12.839 7.416 7.353 1.00 1.52 O ATOM 76 OD2 ASP A 11 13.302 6.357 9.223 1.00 62.14 O ATOM 0 H ASP A 11 8.463 7.005 7.234 1.00 73.40 H new ATOM 0 HA ASP A 11 10.606 7.333 6.760 1.00 43.44 H new ATOM 0 HB2 ASP A 11 10.692 5.930 9.053 1.00 63.14 H new ATOM 0 HB3 ASP A 11 11.480 4.752 8.022 1.00 63.14 H new ATOM 81 N SER A 12 9.818 5.352 4.785 1.00 51.11 N ATOM 82 CA SER A 12 10.040 4.614 3.547 1.00 54.41 C ATOM 83 C SER A 12 9.724 5.483 2.334 1.00 70.22 C ATOM 84 O SER A 12 9.419 4.974 1.254 1.00 23.05 O ATOM 85 CB SER A 12 9.179 3.350 3.521 1.00 33.44 C ATOM 86 OG SER A 12 9.849 2.265 4.140 1.00 33.41 O ATOM 0 H SER A 12 8.881 5.744 4.880 1.00 51.11 H new ATOM 0 HA SER A 12 11.091 4.330 3.505 1.00 54.41 H new ATOM 0 HB2 SER A 12 8.235 3.538 4.032 1.00 33.44 H new ATOM 0 HB3 SER A 12 8.937 3.092 2.490 1.00 33.44 H new ATOM 0 HG SER A 12 9.278 1.469 4.112 1.00 33.41 H new ATOM 92 N ALA A 13 9.799 6.797 2.518 1.00 33.20 N ATOM 93 CA ALA A 13 9.523 7.736 1.439 1.00 12.34 C ATOM 94 C ALA A 13 10.521 7.571 0.298 1.00 35.31 C ATOM 95 O ALA A 13 11.719 7.793 0.472 1.00 62.33 O ATOM 96 CB ALA A 13 9.551 9.165 1.963 1.00 72.41 C ATOM 0 H ALA A 13 10.049 7.235 3.405 1.00 33.20 H new ATOM 0 HA ALA A 13 8.527 7.521 1.050 1.00 12.34 H new ATOM 0 HB1 ALA A 13 9.343 9.856 1.146 1.00 72.41 H new ATOM 0 HB2 ALA A 13 8.795 9.283 2.739 1.00 72.41 H new ATOM 0 HB3 ALA A 13 10.535 9.381 2.379 1.00 72.41 H new ATOM 102 N ASP A 14 10.020 7.177 -0.867 1.00 51.44 N ATOM 103 CA ASP A 14 10.867 6.982 -2.038 1.00 20.43 C ATOM 104 C ASP A 14 10.169 7.470 -3.303 1.00 61.05 C ATOM 105 O ASP A 14 10.584 8.457 -3.911 1.00 32.00 O ATOM 106 CB ASP A 14 11.239 5.506 -2.183 1.00 23.31 C ATOM 107 CG ASP A 14 12.072 5.001 -1.021 1.00 45.22 C ATOM 108 OD1 ASP A 14 13.032 5.699 -0.632 1.00 51.31 O ATOM 109 OD2 ASP A 14 11.765 3.908 -0.501 1.00 63.20 O ATOM 0 H ASP A 14 9.031 6.986 -1.026 1.00 51.44 H new ATOM 0 HA ASP A 14 11.776 7.567 -1.899 1.00 20.43 H new ATOM 0 HB2 ASP A 14 10.329 4.911 -2.259 1.00 23.31 H new ATOM 0 HB3 ASP A 14 11.792 5.363 -3.111 1.00 23.31 H new ATOM 114 N ALA A 15 9.108 6.772 -3.694 1.00 41.22 N ATOM 115 CA ALA A 15 8.351 7.135 -4.885 1.00 64.44 C ATOM 116 C ALA A 15 7.029 6.378 -4.948 1.00 2.43 C ATOM 117 O ALA A 15 6.637 5.879 -6.002 1.00 3.32 O ATOM 118 CB ALA A 15 9.175 6.865 -6.136 1.00 41.13 C ATOM 0 H ALA A 15 8.753 5.951 -3.203 1.00 41.22 H new ATOM 0 HA ALA A 15 8.127 8.200 -4.832 1.00 64.44 H new ATOM 0 HB1 ALA A 15 8.598 7.141 -7.018 1.00 41.13 H new ATOM 0 HB2 ALA A 15 10.091 7.455 -6.103 1.00 41.13 H new ATOM 0 HB3 ALA A 15 9.427 5.806 -6.184 1.00 41.13 H new ATOM 124 N GLY A 16 6.344 6.297 -3.811 1.00 41.14 N ATOM 125 CA GLY A 16 5.073 5.599 -3.758 1.00 72.32 C ATOM 126 C GLY A 16 3.989 6.309 -4.545 1.00 31.34 C ATOM 127 O GLY A 16 3.500 7.360 -4.132 1.00 4.21 O ATOM 0 H GLY A 16 6.647 6.703 -2.926 1.00 41.14 H new ATOM 0 HA2 GLY A 16 5.200 4.589 -4.149 1.00 72.32 H new ATOM 0 HA3 GLY A 16 4.759 5.501 -2.719 1.00 72.32 H new ATOM 131 N GLY A 17 3.612 5.734 -5.682 1.00 61.54 N ATOM 132 CA GLY A 17 2.583 6.333 -6.512 1.00 1.42 C ATOM 133 C GLY A 17 1.798 5.302 -7.297 1.00 73.21 C ATOM 134 O GLY A 17 2.373 4.505 -8.038 1.00 14.30 O ATOM 0 H GLY A 17 4.001 4.863 -6.044 1.00 61.54 H new ATOM 0 HA2 GLY A 17 1.900 6.904 -5.883 1.00 1.42 H new ATOM 0 HA3 GLY A 17 3.044 7.038 -7.204 1.00 1.42 H new ATOM 138 N GLY A 18 0.478 5.315 -7.135 1.00 4.21 N ATOM 139 CA GLY A 18 -0.365 4.368 -7.840 1.00 34.43 C ATOM 140 C GLY A 18 -0.843 4.900 -9.176 1.00 42.14 C ATOM 141 O GLY A 18 -0.448 5.987 -9.597 1.00 24.41 O ATOM 0 H GLY A 18 -0.022 5.965 -6.528 1.00 4.21 H new ATOM 0 HA2 GLY A 18 0.188 3.442 -7.998 1.00 34.43 H new ATOM 0 HA3 GLY A 18 -1.228 4.123 -7.220 1.00 34.43 H new ATOM 145 N SER A 19 -1.695 4.132 -9.848 1.00 34.35 N ATOM 146 CA SER A 19 -2.224 4.529 -11.147 1.00 42.03 C ATOM 147 C SER A 19 -3.570 3.864 -11.414 1.00 30.04 C ATOM 148 O SER A 19 -4.446 4.443 -12.055 1.00 10.34 O ATOM 149 CB SER A 19 -1.234 4.166 -12.256 1.00 12.21 C ATOM 150 OG SER A 19 -0.016 4.875 -12.106 1.00 11.22 O ATOM 0 H SER A 19 -2.034 3.230 -9.513 1.00 34.35 H new ATOM 0 HA SER A 19 -2.369 5.609 -11.137 1.00 42.03 H new ATOM 0 HB2 SER A 19 -1.039 3.094 -12.237 1.00 12.21 H new ATOM 0 HB3 SER A 19 -1.673 4.393 -13.228 1.00 12.21 H new ATOM 0 HG SER A 19 -0.068 5.451 -11.315 1.00 11.22 H new ATOM 156 N GLY A 20 -3.728 2.641 -10.915 1.00 34.01 N ATOM 157 CA GLY A 20 -4.970 1.916 -11.109 1.00 13.34 C ATOM 158 C GLY A 20 -5.265 0.957 -9.971 1.00 13.21 C ATOM 159 O GLY A 20 -6.024 1.283 -9.057 1.00 64.04 O ATOM 0 H GLY A 20 -3.018 2.140 -10.380 1.00 34.01 H new ATOM 0 HA2 GLY A 20 -5.791 2.627 -11.204 1.00 13.34 H new ATOM 0 HA3 GLY A 20 -4.920 1.360 -12.045 1.00 13.34 H new ATOM 163 N TRP A 21 -4.667 -0.226 -10.028 1.00 22.14 N ATOM 164 CA TRP A 21 -4.871 -1.236 -8.995 1.00 71.03 C ATOM 165 C TRP A 21 -4.374 -0.739 -7.642 1.00 1.13 C ATOM 166 O TRP A 21 -4.845 -1.185 -6.595 1.00 1.43 O ATOM 167 CB TRP A 21 -4.153 -2.533 -9.371 1.00 51.12 C ATOM 168 CG TRP A 21 -2.923 -2.312 -10.198 1.00 4.14 C ATOM 169 CD1 TRP A 21 -1.955 -1.371 -9.992 1.00 30.03 C ATOM 170 CD2 TRP A 21 -2.530 -3.046 -11.363 1.00 1.32 C ATOM 171 NE1 TRP A 21 -0.984 -1.475 -10.959 1.00 35.41 N ATOM 172 CE2 TRP A 21 -1.313 -2.496 -11.811 1.00 73.32 C ATOM 173 CE3 TRP A 21 -3.086 -4.115 -12.069 1.00 31.31 C ATOM 174 CZ2 TRP A 21 -0.647 -2.980 -12.934 1.00 51.11 C ATOM 175 CZ3 TRP A 21 -2.424 -4.594 -13.183 1.00 63.31 C ATOM 176 CH2 TRP A 21 -1.215 -4.028 -13.606 1.00 43.12 C ATOM 0 H TRP A 21 -4.037 -0.511 -10.778 1.00 22.14 H new ATOM 0 HA TRP A 21 -5.941 -1.431 -8.919 1.00 71.03 H new ATOM 0 HB2 TRP A 21 -3.879 -3.066 -8.460 1.00 51.12 H new ATOM 0 HB3 TRP A 21 -4.841 -3.175 -9.921 1.00 51.12 H new ATOM 0 HD1 TRP A 21 -1.953 -0.651 -9.187 1.00 30.03 H new ATOM 0 HE1 TRP A 21 -0.153 -0.887 -11.031 1.00 35.41 H new ATOM 0 HE3 TRP A 21 -4.017 -4.559 -11.750 1.00 31.31 H new ATOM 0 HZ2 TRP A 21 0.285 -2.544 -13.263 1.00 51.11 H new ATOM 0 HZ3 TRP A 21 -2.846 -5.419 -13.737 1.00 63.31 H new ATOM 0 HH2 TRP A 21 -0.721 -4.426 -14.480 1.00 43.12 H new ATOM 187 N LEU A 22 -3.421 0.187 -7.670 1.00 34.31 N ATOM 188 CA LEU A 22 -2.861 0.744 -6.444 1.00 44.13 C ATOM 189 C LEU A 22 -3.894 1.594 -5.711 1.00 23.15 C ATOM 190 O LEU A 22 -3.591 2.218 -4.692 1.00 70.53 O ATOM 191 CB LEU A 22 -1.625 1.587 -6.763 1.00 43.14 C ATOM 192 CG LEU A 22 -0.389 0.817 -7.231 1.00 54.12 C ATOM 193 CD1 LEU A 22 -0.517 -0.658 -6.882 1.00 42.25 C ATOM 194 CD2 LEU A 22 -0.183 0.996 -8.728 1.00 12.31 C ATOM 0 H LEU A 22 -3.021 0.567 -8.528 1.00 34.31 H new ATOM 0 HA LEU A 22 -2.572 -0.084 -5.796 1.00 44.13 H new ATOM 0 HB2 LEU A 22 -1.892 2.309 -7.534 1.00 43.14 H new ATOM 0 HB3 LEU A 22 -1.358 2.156 -5.872 1.00 43.14 H new ATOM 0 HG LEU A 22 0.483 1.219 -6.715 1.00 54.12 H new ATOM 0 HD11 LEU A 22 0.371 -1.191 -7.222 1.00 42.25 H new ATOM 0 HD12 LEU A 22 -0.615 -0.769 -5.802 1.00 42.25 H new ATOM 0 HD13 LEU A 22 -1.398 -1.072 -7.371 1.00 42.25 H new ATOM 0 HD21 LEU A 22 0.701 0.441 -9.043 1.00 12.31 H new ATOM 0 HD22 LEU A 22 -1.056 0.622 -9.263 1.00 12.31 H new ATOM 0 HD23 LEU A 22 -0.046 2.054 -8.953 1.00 12.31 H new ATOM 206 N THR A 23 -5.116 1.612 -6.232 1.00 74.21 N ATOM 207 CA THR A 23 -6.194 2.383 -5.626 1.00 51.03 C ATOM 208 C THR A 23 -6.746 1.680 -4.391 1.00 4.22 C ATOM 209 O THR A 23 -7.827 2.012 -3.908 1.00 14.00 O ATOM 210 CB THR A 23 -7.344 2.620 -6.624 1.00 52.31 C ATOM 211 OG1 THR A 23 -7.784 1.372 -7.172 1.00 23.15 O ATOM 212 CG2 THR A 23 -6.903 3.545 -7.748 1.00 44.24 C ATOM 0 H THR A 23 -5.384 1.101 -7.073 1.00 74.21 H new ATOM 0 HA THR A 23 -5.770 3.344 -5.335 1.00 51.03 H new ATOM 0 HB THR A 23 -8.168 3.091 -6.088 1.00 52.31 H new ATOM 0 HG1 THR A 23 -7.422 1.266 -8.076 1.00 23.15 H new ATOM 0 HG21 THR A 23 -7.731 3.697 -8.440 1.00 44.24 H new ATOM 0 HG22 THR A 23 -6.597 4.504 -7.331 1.00 44.24 H new ATOM 0 HG23 THR A 23 -6.064 3.097 -8.280 1.00 44.24 H new ATOM 220 N GLY A 24 -5.994 0.708 -3.883 1.00 71.13 N ATOM 221 CA GLY A 24 -6.425 -0.025 -2.708 1.00 33.41 C ATOM 222 C GLY A 24 -6.585 -1.508 -2.976 1.00 35.21 C ATOM 223 O GLY A 24 -7.634 -2.087 -2.694 1.00 52.41 O ATOM 0 H GLY A 24 -5.094 0.416 -4.265 1.00 71.13 H new ATOM 0 HA2 GLY A 24 -5.700 0.120 -1.907 1.00 33.41 H new ATOM 0 HA3 GLY A 24 -7.373 0.382 -2.357 1.00 33.41 H new ATOM 227 N TRP A 25 -5.543 -2.125 -3.523 1.00 34.31 N ATOM 228 CA TRP A 25 -5.575 -3.550 -3.832 1.00 0.14 C ATOM 229 C TRP A 25 -4.375 -4.265 -3.220 1.00 62.01 C ATOM 230 O TRP A 25 -3.788 -5.155 -3.839 1.00 14.40 O ATOM 231 CB TRP A 25 -5.596 -3.765 -5.346 1.00 25.12 C ATOM 232 CG TRP A 25 -4.228 -3.892 -5.946 1.00 52.25 C ATOM 233 CD1 TRP A 25 -3.196 -3.005 -5.830 1.00 1.21 C ATOM 234 CD2 TRP A 25 -3.746 -4.967 -6.759 1.00 1.22 C ATOM 235 NE1 TRP A 25 -2.101 -3.465 -6.520 1.00 54.54 N ATOM 236 CE2 TRP A 25 -2.412 -4.667 -7.099 1.00 15.44 C ATOM 237 CE3 TRP A 25 -4.309 -6.156 -7.231 1.00 34.13 C ATOM 238 CZ2 TRP A 25 -1.637 -5.511 -7.890 1.00 0.34 C ATOM 239 CZ3 TRP A 25 -3.539 -6.993 -8.016 1.00 10.02 C ATOM 240 CH2 TRP A 25 -2.215 -6.668 -8.338 1.00 31.41 C ATOM 0 H TRP A 25 -4.666 -1.661 -3.761 1.00 34.31 H new ATOM 0 HA TRP A 25 -6.484 -3.970 -3.401 1.00 0.14 H new ATOM 0 HB2 TRP A 25 -6.168 -4.665 -5.570 1.00 25.12 H new ATOM 0 HB3 TRP A 25 -6.116 -2.931 -5.817 1.00 25.12 H new ATOM 0 HD1 TRP A 25 -3.235 -2.078 -5.277 1.00 1.21 H new ATOM 0 HE1 TRP A 25 -1.202 -2.989 -6.590 1.00 54.54 H new ATOM 0 HE3 TRP A 25 -5.328 -6.416 -6.986 1.00 34.13 H new ATOM 0 HZ2 TRP A 25 -0.617 -5.262 -8.141 1.00 0.34 H new ATOM 0 HZ3 TRP A 25 -3.965 -7.913 -8.387 1.00 10.02 H new ATOM 0 HH2 TRP A 25 -1.639 -7.344 -8.952 1.00 31.41 H new ATOM 251 N LEU A 26 -4.015 -3.873 -2.004 1.00 23.21 N ATOM 252 CA LEU A 26 -2.884 -4.478 -1.308 1.00 42.43 C ATOM 253 C LEU A 26 -3.149 -4.562 0.191 1.00 24.40 C ATOM 254 O LEU A 26 -4.011 -3.871 0.734 1.00 22.25 O ATOM 255 CB LEU A 26 -1.610 -3.671 -1.568 1.00 25.42 C ATOM 256 CG LEU A 26 -1.765 -2.151 -1.560 1.00 71.04 C ATOM 257 CD1 LEU A 26 -2.377 -1.670 -2.866 1.00 71.12 C ATOM 258 CD2 LEU A 26 -2.613 -1.707 -0.377 1.00 1.41 C ATOM 0 H LEU A 26 -4.489 -3.139 -1.479 1.00 23.21 H new ATOM 0 HA LEU A 26 -2.751 -5.490 -1.692 1.00 42.43 H new ATOM 0 HB2 LEU A 26 -0.871 -3.945 -0.815 1.00 25.42 H new ATOM 0 HB3 LEU A 26 -1.206 -3.970 -2.535 1.00 25.42 H new ATOM 0 HG LEU A 26 -0.775 -1.705 -1.460 1.00 71.04 H new ATOM 0 HD11 LEU A 26 -2.480 -0.585 -2.842 1.00 71.12 H new ATOM 0 HD12 LEU A 26 -1.732 -1.955 -3.697 1.00 71.12 H new ATOM 0 HD13 LEU A 26 -3.359 -2.125 -2.997 1.00 71.12 H new ATOM 0 HD21 LEU A 26 -2.713 -0.622 -0.388 1.00 1.41 H new ATOM 0 HD22 LEU A 26 -3.601 -2.163 -0.446 1.00 1.41 H new ATOM 0 HD23 LEU A 26 -2.134 -2.018 0.551 1.00 1.41 H new ATOM 270 N PRO A 27 -2.388 -5.429 0.879 1.00 75.14 N ATOM 271 CA PRO A 27 -2.521 -5.623 2.326 1.00 23.02 C ATOM 272 C PRO A 27 -2.034 -4.414 3.119 1.00 71.42 C ATOM 273 O PRO A 27 -1.825 -3.336 2.563 1.00 50.12 O ATOM 274 CB PRO A 27 -1.634 -6.838 2.603 1.00 3.24 C ATOM 275 CG PRO A 27 -0.631 -6.834 1.502 1.00 61.40 C ATOM 276 CD PRO A 27 -1.342 -6.285 0.296 1.00 61.23 C ATOM 0 HA PRO A 27 -3.560 -5.760 2.626 1.00 23.02 H new ATOM 0 HB2 PRO A 27 -1.152 -6.762 3.578 1.00 3.24 H new ATOM 0 HB3 PRO A 27 -2.215 -7.760 2.606 1.00 3.24 H new ATOM 0 HG2 PRO A 27 0.230 -6.218 1.761 1.00 61.40 H new ATOM 0 HG3 PRO A 27 -0.258 -7.840 1.311 1.00 61.40 H new ATOM 0 HD2 PRO A 27 -0.668 -5.716 -0.344 1.00 61.23 H new ATOM 0 HD3 PRO A 27 -1.768 -7.080 -0.316 1.00 61.23 H new ATOM 284 N THR A 28 -1.855 -4.602 4.423 1.00 23.14 N ATOM 285 CA THR A 28 -1.393 -3.528 5.293 1.00 42.21 C ATOM 286 C THR A 28 -0.064 -2.961 4.809 1.00 44.24 C ATOM 287 O THR A 28 0.348 -1.879 5.225 1.00 45.31 O ATOM 288 CB THR A 28 -1.233 -4.013 6.747 1.00 45.51 C ATOM 289 OG1 THR A 28 -0.375 -5.158 6.789 1.00 4.13 O ATOM 290 CG2 THR A 28 -2.584 -4.361 7.353 1.00 3.24 C ATOM 0 H THR A 28 -2.023 -5.488 4.899 1.00 23.14 H new ATOM 0 HA THR A 28 -2.151 -2.746 5.260 1.00 42.21 H new ATOM 0 HB THR A 28 -0.789 -3.206 7.330 1.00 45.51 H new ATOM 0 HG1 THR A 28 -0.277 -5.459 7.716 1.00 4.13 H new ATOM 0 HG21 THR A 28 -2.446 -4.701 8.379 1.00 3.24 H new ATOM 0 HG22 THR A 28 -3.224 -3.479 7.346 1.00 3.24 H new ATOM 0 HG23 THR A 28 -3.052 -5.153 6.768 1.00 3.24 H new ATOM 298 N TRP A 29 0.603 -3.698 3.927 1.00 14.11 N ATOM 299 CA TRP A 29 1.886 -3.267 3.386 1.00 61.34 C ATOM 300 C TRP A 29 1.710 -2.071 2.457 1.00 4.14 C ATOM 301 O TRP A 29 1.507 -2.232 1.254 1.00 55.02 O ATOM 302 CB TRP A 29 2.558 -4.417 2.634 1.00 21.42 C ATOM 303 CG TRP A 29 2.885 -5.589 3.510 1.00 54.51 C ATOM 304 CD1 TRP A 29 2.080 -6.152 4.459 1.00 20.42 C ATOM 305 CD2 TRP A 29 4.104 -6.338 3.520 1.00 60.23 C ATOM 306 NE1 TRP A 29 2.726 -7.207 5.058 1.00 63.51 N ATOM 307 CE2 TRP A 29 3.969 -7.342 4.498 1.00 62.31 C ATOM 308 CE3 TRP A 29 5.297 -6.261 2.795 1.00 55.44 C ATOM 309 CZ2 TRP A 29 4.982 -8.258 4.769 1.00 35.42 C ATOM 310 CZ3 TRP A 29 6.301 -7.170 3.065 1.00 35.15 C ATOM 311 CH2 TRP A 29 6.138 -8.159 4.045 1.00 4.42 C ATOM 0 H TRP A 29 0.276 -4.597 3.572 1.00 14.11 H new ATOM 0 HA TRP A 29 2.521 -2.967 4.219 1.00 61.34 H new ATOM 0 HB2 TRP A 29 1.902 -4.747 1.828 1.00 21.42 H new ATOM 0 HB3 TRP A 29 3.475 -4.052 2.170 1.00 21.42 H new ATOM 0 HD1 TRP A 29 1.083 -5.817 4.703 1.00 20.42 H new ATOM 0 HE1 TRP A 29 2.342 -7.794 5.799 1.00 63.51 H new ATOM 0 HE3 TRP A 29 5.431 -5.504 2.037 1.00 55.44 H new ATOM 0 HZ2 TRP A 29 4.859 -9.020 5.524 1.00 35.42 H new ATOM 0 HZ3 TRP A 29 7.227 -7.118 2.512 1.00 35.15 H new ATOM 0 HH2 TRP A 29 6.941 -8.856 4.232 1.00 4.42 H new ATOM 322 N CYS A 30 1.792 -0.871 3.022 1.00 20.03 N ATOM 323 CA CYS A 30 1.642 0.353 2.244 1.00 23.31 C ATOM 324 C CYS A 30 2.425 1.499 2.877 1.00 61.42 C ATOM 325 O CYS A 30 1.861 2.405 3.490 1.00 24.31 O ATOM 326 CB CYS A 30 0.165 0.731 2.130 1.00 73.13 C ATOM 327 SG CYS A 30 -0.203 1.871 0.776 1.00 40.00 S ATOM 0 H CYS A 30 1.962 -0.720 4.016 1.00 20.03 H new ATOM 0 HA CYS A 30 2.041 0.171 1.246 1.00 23.31 H new ATOM 0 HB2 CYS A 30 -0.422 -0.177 1.995 1.00 73.13 H new ATOM 0 HB3 CYS A 30 -0.157 1.182 3.068 1.00 73.13 H new ATOM 0 HG CYS A 30 -1.477 2.129 0.760 1.00 40.00 H new ATOM 333 N PRO A 31 3.758 1.459 2.727 1.00 71.22 N ATOM 334 CA PRO A 31 4.648 2.486 3.277 1.00 72.55 C ATOM 335 C PRO A 31 4.508 3.821 2.555 1.00 73.45 C ATOM 336 O PRO A 31 5.063 4.833 2.985 1.00 61.42 O ATOM 337 CB PRO A 31 6.045 1.900 3.054 1.00 15.05 C ATOM 338 CG PRO A 31 5.887 0.973 1.900 1.00 61.24 C ATOM 339 CD PRO A 31 4.497 0.407 2.008 1.00 45.41 C ATOM 0 HA PRO A 31 4.424 2.704 4.321 1.00 72.55 H new ATOM 0 HB2 PRO A 31 6.772 2.682 2.837 1.00 15.05 H new ATOM 0 HB3 PRO A 31 6.399 1.373 3.940 1.00 15.05 H new ATOM 0 HG2 PRO A 31 6.021 1.500 0.955 1.00 61.24 H new ATOM 0 HG3 PRO A 31 6.634 0.180 1.932 1.00 61.24 H new ATOM 0 HD2 PRO A 31 4.065 0.211 1.027 1.00 45.41 H new ATOM 0 HD3 PRO A 31 4.488 -0.536 2.554 1.00 45.41 H new ATOM 347 N THR A 32 3.763 3.818 1.453 1.00 21.02 N ATOM 348 CA THR A 32 3.552 5.029 0.671 1.00 55.42 C ATOM 349 C THR A 32 2.932 6.132 1.522 1.00 60.01 C ATOM 350 O THR A 32 3.053 7.315 1.205 1.00 51.42 O ATOM 351 CB THR A 32 2.642 4.762 -0.544 1.00 24.22 C ATOM 352 OG1 THR A 32 3.146 3.653 -1.297 1.00 52.05 O ATOM 353 CG2 THR A 32 2.555 5.990 -1.436 1.00 43.10 C ATOM 0 H THR A 32 3.296 2.990 1.083 1.00 21.02 H new ATOM 0 HA THR A 32 4.532 5.352 0.319 1.00 55.42 H new ATOM 0 HB THR A 32 1.642 4.529 -0.178 1.00 24.22 H new ATOM 0 HG1 THR A 32 2.562 3.488 -2.067 1.00 52.05 H new ATOM 0 HG21 THR A 32 1.907 5.777 -2.286 1.00 43.10 H new ATOM 0 HG22 THR A 32 2.144 6.824 -0.867 1.00 43.10 H new ATOM 0 HG23 THR A 32 3.551 6.250 -1.795 1.00 43.10 H new ATOM 361 N SER A 33 2.268 5.737 2.603 1.00 43.31 N ATOM 362 CA SER A 33 1.627 6.694 3.498 1.00 30.50 C ATOM 363 C SER A 33 2.656 7.634 4.115 1.00 45.44 C ATOM 364 O SER A 33 3.289 7.311 5.121 1.00 23.20 O ATOM 365 CB SER A 33 0.866 5.958 4.603 1.00 54.32 C ATOM 366 OG SER A 33 -0.320 5.368 4.099 1.00 73.33 O ATOM 0 H SER A 33 2.160 4.762 2.881 1.00 43.31 H new ATOM 0 HA SER A 33 0.924 7.287 2.913 1.00 30.50 H new ATOM 0 HB2 SER A 33 1.503 5.187 5.037 1.00 54.32 H new ATOM 0 HB3 SER A 33 0.618 6.654 5.404 1.00 54.32 H new ATOM 0 HG SER A 33 -0.787 4.902 4.824 1.00 73.33 H new ATOM 372 N THR A 34 2.820 8.805 3.505 1.00 53.00 N ATOM 373 CA THR A 34 3.773 9.795 3.991 1.00 33.45 C ATOM 374 C THR A 34 3.141 10.692 5.049 1.00 11.02 C ATOM 375 O THR A 34 3.841 11.384 5.788 1.00 62.40 O ATOM 376 CB THR A 34 4.308 10.670 2.843 1.00 41.31 C ATOM 377 OG1 THR A 34 3.413 10.618 1.728 1.00 74.31 O ATOM 378 CG2 THR A 34 5.692 10.211 2.411 1.00 23.13 C ATOM 0 H THR A 34 2.304 9.090 2.673 1.00 53.00 H new ATOM 0 HA THR A 34 4.603 9.245 4.434 1.00 33.45 H new ATOM 0 HB THR A 34 4.379 11.696 3.203 1.00 41.31 H new ATOM 0 HG1 THR A 34 3.760 11.179 1.003 1.00 74.31 H new ATOM 0 HG21 THR A 34 6.048 10.845 1.599 1.00 23.13 H new ATOM 0 HG22 THR A 34 6.379 10.282 3.255 1.00 23.13 H new ATOM 0 HG23 THR A 34 5.642 9.177 2.069 1.00 23.13 H new ATOM 386 N SER A 35 1.813 10.676 5.116 1.00 41.34 N ATOM 387 CA SER A 35 1.087 11.492 6.082 1.00 53.42 C ATOM 388 C SER A 35 1.624 11.271 7.492 1.00 11.52 C ATOM 389 O SER A 35 1.335 10.256 8.127 1.00 24.22 O ATOM 390 CB SER A 35 -0.407 11.166 6.035 1.00 50.31 C ATOM 391 OG SER A 35 -1.112 12.115 5.253 1.00 35.11 O ATOM 0 H SER A 35 1.219 10.107 4.513 1.00 41.34 H new ATOM 0 HA SER A 35 1.231 12.540 5.818 1.00 53.42 H new ATOM 0 HB2 SER A 35 -0.552 10.169 5.620 1.00 50.31 H new ATOM 0 HB3 SER A 35 -0.811 11.152 7.047 1.00 50.31 H new ATOM 0 HG SER A 35 -2.064 11.883 5.237 1.00 35.11 H new ATOM 397 N HIS A 36 2.408 12.229 7.978 1.00 14.11 N ATOM 398 CA HIS A 36 2.985 12.141 9.314 1.00 0.02 C ATOM 399 C HIS A 36 3.824 13.377 9.627 1.00 53.04 C ATOM 400 O HIS A 36 3.562 14.088 10.597 1.00 0.21 O ATOM 401 CB HIS A 36 3.844 10.883 9.439 1.00 61.33 C ATOM 402 CG HIS A 36 3.649 10.149 10.730 1.00 41.31 C ATOM 403 ND1 HIS A 36 2.411 9.947 11.301 1.00 51.41 N ATOM 404 CD2 HIS A 36 4.544 9.566 11.561 1.00 44.15 C ATOM 405 CE1 HIS A 36 2.552 9.274 12.429 1.00 65.30 C ATOM 406 NE2 HIS A 36 3.838 9.030 12.609 1.00 63.21 N ATOM 0 H HIS A 36 2.658 13.075 7.466 1.00 14.11 H new ATOM 0 HA HIS A 36 2.167 12.087 10.033 1.00 0.02 H new ATOM 0 HB2 HIS A 36 3.614 10.212 8.611 1.00 61.33 H new ATOM 0 HB3 HIS A 36 4.894 11.159 9.343 1.00 61.33 H new ATOM 0 HD2 HIS A 36 5.615 9.529 11.425 1.00 44.15 H new ATOM 0 HE1 HIS A 36 1.753 8.974 13.091 1.00 65.30 H new ATOM 0 HE2 HIS A 36 4.241 8.525 13.399 1.00 63.21 H new ATOM 414 N LEU A 37 4.832 13.626 8.799 1.00 20.12 N ATOM 415 CA LEU A 37 5.710 14.776 8.987 1.00 73.10 C ATOM 416 C LEU A 37 5.510 15.801 7.875 1.00 23.25 C ATOM 417 O LEU A 37 6.435 16.101 7.119 1.00 53.55 O ATOM 418 CB LEU A 37 7.172 14.326 9.026 1.00 54.14 C ATOM 419 CG LEU A 37 7.519 13.102 8.177 1.00 32.34 C ATOM 420 CD1 LEU A 37 7.168 13.346 6.718 1.00 3.11 C ATOM 421 CD2 LEU A 37 8.993 12.754 8.322 1.00 2.23 C ATOM 0 H LEU A 37 5.062 13.047 7.991 1.00 20.12 H new ATOM 0 HA LEU A 37 5.456 15.245 9.938 1.00 73.10 H new ATOM 0 HB2 LEU A 37 7.796 15.158 8.701 1.00 54.14 H new ATOM 0 HB3 LEU A 37 7.439 14.113 10.061 1.00 54.14 H new ATOM 0 HG LEU A 37 6.929 12.258 8.534 1.00 32.34 H new ATOM 0 HD11 LEU A 37 7.422 12.464 6.130 1.00 3.11 H new ATOM 0 HD12 LEU A 37 6.100 13.546 6.629 1.00 3.11 H new ATOM 0 HD13 LEU A 37 7.730 14.203 6.347 1.00 3.11 H new ATOM 0 HD21 LEU A 37 9.222 11.881 7.711 1.00 2.23 H new ATOM 0 HD22 LEU A 37 9.600 13.597 7.992 1.00 2.23 H new ATOM 0 HD23 LEU A 37 9.214 12.534 9.367 1.00 2.23 H new ATOM 433 N LYS A 38 4.298 16.338 7.783 1.00 74.32 N ATOM 434 CA LYS A 38 3.976 17.333 6.767 1.00 61.33 C ATOM 435 C LYS A 38 4.977 18.483 6.796 1.00 71.14 C ATOM 436 O LYS A 38 5.307 19.003 7.861 1.00 63.22 O ATOM 437 CB LYS A 38 2.559 17.869 6.979 1.00 23.24 C ATOM 438 CG LYS A 38 1.497 16.784 7.017 1.00 73.12 C ATOM 439 CD LYS A 38 0.113 17.350 6.748 1.00 35.14 C ATOM 440 CE LYS A 38 -0.842 16.274 6.251 1.00 42.32 C ATOM 441 NZ LYS A 38 -1.262 15.356 7.345 1.00 21.32 N ATOM 0 H LYS A 38 3.522 16.100 8.401 1.00 74.32 H new ATOM 0 HA LYS A 38 4.032 16.851 5.791 1.00 61.33 H new ATOM 0 HB2 LYS A 38 2.528 18.429 7.914 1.00 23.24 H new ATOM 0 HB3 LYS A 38 2.321 18.570 6.179 1.00 23.24 H new ATOM 0 HG2 LYS A 38 1.729 16.020 6.275 1.00 73.12 H new ATOM 0 HG3 LYS A 38 1.509 16.296 7.992 1.00 73.12 H new ATOM 0 HD2 LYS A 38 -0.283 17.796 7.660 1.00 35.14 H new ATOM 0 HD3 LYS A 38 0.182 18.147 6.008 1.00 35.14 H new ATOM 0 HE2 LYS A 38 -1.723 16.744 5.814 1.00 42.32 H new ATOM 0 HE3 LYS A 38 -0.361 15.699 5.459 1.00 42.32 H new ATOM 0 HZ1 LYS A 38 -1.912 14.638 6.965 1.00 21.32 H new ATOM 0 HZ2 LYS A 38 -0.424 14.888 7.746 1.00 21.32 H new ATOM 0 HZ3 LYS A 38 -1.744 15.900 8.089 1.00 21.32 H new ATOM 455 N GLU A 39 5.455 18.876 5.619 1.00 71.42 N ATOM 456 CA GLU A 39 6.418 19.966 5.511 1.00 13.22 C ATOM 457 C GLU A 39 5.779 21.296 5.900 1.00 0.13 C ATOM 458 O GLU A 39 4.600 21.352 6.250 1.00 31.12 O ATOM 459 CB GLU A 39 6.969 20.051 4.087 1.00 70.23 C ATOM 460 CG GLU A 39 8.130 19.106 3.827 1.00 43.02 C ATOM 461 CD GLU A 39 8.386 18.888 2.348 1.00 4.42 C ATOM 462 OE1 GLU A 39 7.410 18.897 1.569 1.00 43.24 O ATOM 463 OE2 GLU A 39 9.563 18.710 1.970 1.00 22.40 O ATOM 0 H GLU A 39 5.191 18.456 4.728 1.00 71.42 H new ATOM 0 HA GLU A 39 7.239 19.761 6.199 1.00 13.22 H new ATOM 0 HB2 GLU A 39 6.167 19.831 3.382 1.00 70.23 H new ATOM 0 HB3 GLU A 39 7.293 21.073 3.892 1.00 70.23 H new ATOM 0 HG2 GLU A 39 9.031 19.506 4.292 1.00 43.02 H new ATOM 0 HG3 GLU A 39 7.926 18.146 4.302 1.00 43.02 H new ATOM 470 N ALA A 40 6.566 22.365 5.839 1.00 64.25 N ATOM 471 CA ALA A 40 6.078 23.695 6.183 1.00 70.32 C ATOM 472 C ALA A 40 5.758 24.503 4.930 1.00 51.42 C ATOM 473 O ALA A 40 5.800 23.982 3.817 1.00 72.45 O ATOM 474 CB ALA A 40 7.101 24.427 7.038 1.00 0.41 C ATOM 0 H ALA A 40 7.545 22.336 5.554 1.00 64.25 H new ATOM 0 HA ALA A 40 5.157 23.581 6.755 1.00 70.32 H new ATOM 0 HB1 ALA A 40 6.724 25.419 7.288 1.00 0.41 H new ATOM 0 HB2 ALA A 40 7.278 23.865 7.955 1.00 0.41 H new ATOM 0 HB3 ALA A 40 8.035 24.523 6.485 1.00 0.41 H new ATOM 480 N GLU A 41 5.437 25.779 5.121 1.00 45.42 N ATOM 481 CA GLU A 41 5.108 26.658 4.005 1.00 12.10 C ATOM 482 C GLU A 41 6.353 27.378 3.493 1.00 2.45 C ATOM 483 O GLU A 41 7.473 27.064 3.897 1.00 74.25 O ATOM 484 CB GLU A 41 4.051 27.681 4.427 1.00 43.02 C ATOM 485 CG GLU A 41 2.810 27.055 5.040 1.00 1.13 C ATOM 486 CD GLU A 41 1.964 28.061 5.798 1.00 23.41 C ATOM 487 OE1 GLU A 41 2.543 28.983 6.409 1.00 53.54 O ATOM 488 OE2 GLU A 41 0.723 27.924 5.781 1.00 62.42 O ATOM 0 H GLU A 41 5.398 26.226 6.037 1.00 45.42 H new ATOM 0 HA GLU A 41 4.707 26.044 3.198 1.00 12.10 H new ATOM 0 HB2 GLU A 41 4.492 28.372 5.146 1.00 43.02 H new ATOM 0 HB3 GLU A 41 3.759 28.269 3.557 1.00 43.02 H new ATOM 0 HG2 GLU A 41 2.209 26.601 4.252 1.00 1.13 H new ATOM 0 HG3 GLU A 41 3.108 26.253 5.716 1.00 1.13 H new ATOM 495 N GLU A 42 6.147 28.345 2.604 1.00 31.12 N ATOM 496 CA GLU A 42 7.253 29.108 2.038 1.00 41.03 C ATOM 497 C GLU A 42 8.143 29.677 3.140 1.00 53.33 C ATOM 498 O GLU A 42 7.655 30.255 4.111 1.00 52.55 O ATOM 499 CB GLU A 42 6.721 30.243 1.160 1.00 63.10 C ATOM 500 CG GLU A 42 7.195 30.170 -0.282 1.00 72.33 C ATOM 501 CD GLU A 42 7.440 31.539 -0.886 1.00 60.02 C ATOM 502 OE1 GLU A 42 6.575 32.423 -0.719 1.00 12.43 O ATOM 503 OE2 GLU A 42 8.496 31.726 -1.525 1.00 74.30 O ATOM 0 H GLU A 42 5.226 28.618 2.261 1.00 31.12 H new ATOM 0 HA GLU A 42 7.851 28.433 1.425 1.00 41.03 H new ATOM 0 HB2 GLU A 42 5.631 30.224 1.177 1.00 63.10 H new ATOM 0 HB3 GLU A 42 7.030 31.197 1.587 1.00 63.10 H new ATOM 0 HG2 GLU A 42 8.114 29.587 -0.329 1.00 72.33 H new ATOM 0 HG3 GLU A 42 6.451 29.642 -0.879 1.00 72.33 H new ATOM 510 N LYS A 43 9.451 29.508 2.982 1.00 40.41 N ATOM 511 CA LYS A 43 10.410 30.004 3.960 1.00 21.11 C ATOM 512 C LYS A 43 10.128 29.424 5.343 1.00 70.22 C ATOM 513 O LYS A 43 11.022 28.824 5.938 1.00 54.10 O ATOM 514 CB LYS A 43 10.367 31.533 4.020 1.00 51.04 C ATOM 515 CG LYS A 43 11.514 32.203 3.284 1.00 0.53 C ATOM 516 CD LYS A 43 11.206 32.375 1.806 1.00 35.22 C ATOM 517 CE LYS A 43 11.683 31.180 0.995 1.00 44.01 C ATOM 518 NZ LYS A 43 10.916 31.027 -0.272 1.00 73.42 N ATOM 0 H LYS A 43 9.871 29.031 2.185 1.00 40.41 H new ATOM 0 HA LYS A 43 11.405 29.686 3.647 1.00 21.11 H new ATOM 0 HB2 LYS A 43 9.424 31.878 3.597 1.00 51.04 H new ATOM 0 HB3 LYS A 43 10.383 31.848 5.063 1.00 51.04 H new ATOM 0 HG2 LYS A 43 11.714 33.177 3.730 1.00 0.53 H new ATOM 0 HG3 LYS A 43 12.419 31.607 3.401 1.00 0.53 H new ATOM 0 HD2 LYS A 43 10.132 32.504 1.669 1.00 35.22 H new ATOM 0 HD3 LYS A 43 11.685 33.282 1.436 1.00 35.22 H new ATOM 0 HE2 LYS A 43 12.742 31.296 0.766 1.00 44.01 H new ATOM 0 HE3 LYS A 43 11.583 30.273 1.592 1.00 44.01 H new ATOM 0 HZ1 LYS A 43 10.759 30.017 -0.463 1.00 73.42 H new ATOM 0 HZ2 LYS A 43 9.999 31.509 -0.183 1.00 73.42 H new ATOM 0 HZ3 LYS A 43 11.454 31.448 -1.056 1.00 73.42 H new TER 532 LYS A 43