USER MOD reduce.3.24.130724 H: found=0, std=0, add=253, rem=0, adj=12 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 -155:sc= -0.139 (180deg=-1.17) USER MOD Single : A 9 SER OG : rot 180:sc= -0.2 USER MOD Single : A 12 SER OG : rot -45:sc= 0.639 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -90:sc= 1.27 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0127 USER MOD Single : A 30 CYS SG : rot 180:sc= -0.0113 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0143 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 56:sc= 1.04 USER MOD Single : A 36 HIS : no HD1:sc= -0.108 X(o=-0.11,f=-0.076) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -159:sc=-0.00442 (180deg=-0.158) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 5 8.851 0.624 6.332 1.00 54.01 N ATOM 2 CA GLY A 5 8.998 2.013 5.937 1.00 12.51 C ATOM 3 C GLY A 5 10.080 2.208 4.893 1.00 35.42 C ATOM 4 O GLY A 5 10.816 3.193 4.927 1.00 33.35 O ATOM 0 HA2 GLY A 5 8.049 2.378 5.545 1.00 12.51 H new ATOM 0 HA3 GLY A 5 9.232 2.614 6.815 1.00 12.51 H new ATOM 8 N ALA A 6 10.177 1.264 3.961 1.00 12.32 N ATOM 9 CA ALA A 6 11.175 1.336 2.902 1.00 44.21 C ATOM 10 C ALA A 6 10.601 1.988 1.650 1.00 52.34 C ATOM 11 O ALA A 6 9.388 2.149 1.523 1.00 50.42 O ATOM 12 CB ALA A 6 11.705 -0.053 2.581 1.00 13.01 C ATOM 0 H ALA A 6 9.576 0.441 3.919 1.00 12.32 H new ATOM 0 HA ALA A 6 12.000 1.955 3.256 1.00 44.21 H new ATOM 0 HB1 ALA A 6 12.450 0.016 1.788 1.00 13.01 H new ATOM 0 HB2 ALA A 6 12.162 -0.483 3.472 1.00 13.01 H new ATOM 0 HB3 ALA A 6 10.883 -0.689 2.252 1.00 13.01 H new ATOM 18 N MET A 7 11.482 2.364 0.727 1.00 74.20 N ATOM 19 CA MET A 7 11.061 2.999 -0.517 1.00 32.14 C ATOM 20 C MET A 7 10.383 4.338 -0.241 1.00 61.31 C ATOM 21 O MET A 7 9.235 4.384 0.200 1.00 70.13 O ATOM 22 CB MET A 7 10.109 2.081 -1.287 1.00 1.15 C ATOM 23 CG MET A 7 10.067 2.363 -2.779 1.00 0.11 C ATOM 24 SD MET A 7 11.189 1.309 -3.717 1.00 15.50 S ATOM 25 CE MET A 7 12.707 2.255 -3.615 1.00 35.25 C ATOM 0 H MET A 7 12.490 2.240 0.817 1.00 74.20 H new ATOM 0 HA MET A 7 11.949 3.179 -1.123 1.00 32.14 H new ATOM 0 HB2 MET A 7 10.410 1.045 -1.130 1.00 1.15 H new ATOM 0 HB3 MET A 7 9.105 2.187 -0.877 1.00 1.15 H new ATOM 0 HG2 MET A 7 9.050 2.219 -3.143 1.00 0.11 H new ATOM 0 HG3 MET A 7 10.324 3.408 -2.955 1.00 0.11 H new ATOM 0 HE1 MET A 7 13.347 2.009 -4.462 1.00 35.25 H new ATOM 0 HE2 MET A 7 12.474 3.320 -3.633 1.00 35.25 H new ATOM 0 HE3 MET A 7 13.225 2.013 -2.687 1.00 35.25 H new ATOM 35 N GLY A 8 11.102 5.425 -0.504 1.00 32.23 N ATOM 36 CA GLY A 8 10.552 6.749 -0.277 1.00 60.23 C ATOM 37 C GLY A 8 9.811 7.284 -1.487 1.00 61.11 C ATOM 38 O GLY A 8 10.021 6.821 -2.607 1.00 62.14 O ATOM 0 H GLY A 8 12.054 5.413 -0.870 1.00 32.23 H new ATOM 0 HA2 GLY A 8 9.874 6.716 0.575 1.00 60.23 H new ATOM 0 HA3 GLY A 8 11.358 7.434 -0.016 1.00 60.23 H new ATOM 42 N SER A 9 8.939 8.261 -1.259 1.00 70.10 N ATOM 43 CA SER A 9 8.159 8.855 -2.338 1.00 52.32 C ATOM 44 C SER A 9 7.666 10.246 -1.950 1.00 74.21 C ATOM 45 O SER A 9 8.079 10.803 -0.933 1.00 25.22 O ATOM 46 CB SER A 9 6.969 7.960 -2.689 1.00 22.50 C ATOM 47 OG SER A 9 7.026 6.735 -1.980 1.00 23.31 O ATOM 0 H SER A 9 8.755 8.658 -0.337 1.00 70.10 H new ATOM 0 HA SER A 9 8.805 8.947 -3.211 1.00 52.32 H new ATOM 0 HB2 SER A 9 6.039 8.477 -2.453 1.00 22.50 H new ATOM 0 HB3 SER A 9 6.962 7.763 -3.761 1.00 22.50 H new ATOM 0 HG SER A 9 6.254 6.182 -2.221 1.00 23.31 H new ATOM 53 N VAL A 10 6.780 10.803 -2.769 1.00 33.22 N ATOM 54 CA VAL A 10 6.229 12.128 -2.512 1.00 54.23 C ATOM 55 C VAL A 10 4.704 12.102 -2.528 1.00 41.14 C ATOM 56 O VAL A 10 4.093 11.052 -2.727 1.00 55.45 O ATOM 57 CB VAL A 10 6.724 13.153 -3.550 1.00 70.24 C ATOM 58 CG1 VAL A 10 8.185 13.499 -3.305 1.00 2.14 C ATOM 59 CG2 VAL A 10 6.524 12.620 -4.961 1.00 53.45 C ATOM 0 H VAL A 10 6.428 10.357 -3.616 1.00 33.22 H new ATOM 0 HA VAL A 10 6.575 12.428 -1.523 1.00 54.23 H new ATOM 0 HB VAL A 10 6.137 14.065 -3.443 1.00 70.24 H new ATOM 0 HG11 VAL A 10 8.517 14.224 -4.048 1.00 2.14 H new ATOM 0 HG12 VAL A 10 8.296 13.925 -2.308 1.00 2.14 H new ATOM 0 HG13 VAL A 10 8.791 12.596 -3.383 1.00 2.14 H new ATOM 0 HG21 VAL A 10 6.879 13.357 -5.682 1.00 53.45 H new ATOM 0 HG22 VAL A 10 7.085 11.693 -5.083 1.00 53.45 H new ATOM 0 HG23 VAL A 10 5.465 12.428 -5.131 1.00 53.45 H new ATOM 69 N ASP A 11 4.096 13.264 -2.317 1.00 1.02 N ATOM 70 CA ASP A 11 2.642 13.376 -2.308 1.00 51.30 C ATOM 71 C ASP A 11 2.108 13.629 -3.715 1.00 23.21 C ATOM 72 O ASP A 11 0.954 13.325 -4.015 1.00 22.21 O ATOM 73 CB ASP A 11 2.202 14.502 -1.372 1.00 74.40 C ATOM 74 CG ASP A 11 0.764 14.346 -0.915 1.00 44.15 C ATOM 75 OD1 ASP A 11 0.511 13.500 -0.032 1.00 73.23 O ATOM 76 OD2 ASP A 11 -0.107 15.070 -1.442 1.00 31.43 O ATOM 0 H ASP A 11 4.587 14.142 -2.150 1.00 1.02 H new ATOM 0 HA ASP A 11 2.232 12.433 -1.947 1.00 51.30 H new ATOM 0 HB2 ASP A 11 2.857 14.523 -0.501 1.00 74.40 H new ATOM 0 HB3 ASP A 11 2.317 15.459 -1.881 1.00 74.40 H new ATOM 81 N SER A 12 2.956 14.189 -4.572 1.00 53.14 N ATOM 82 CA SER A 12 2.568 14.488 -5.946 1.00 30.40 C ATOM 83 C SER A 12 2.990 13.363 -6.887 1.00 20.34 C ATOM 84 O SER A 12 3.167 13.575 -8.086 1.00 13.33 O ATOM 85 CB SER A 12 3.192 15.809 -6.399 1.00 70.22 C ATOM 86 OG SER A 12 2.667 16.218 -7.650 1.00 62.14 O ATOM 0 H SER A 12 3.916 14.445 -4.339 1.00 53.14 H new ATOM 0 HA SER A 12 1.482 14.578 -5.979 1.00 30.40 H new ATOM 0 HB2 SER A 12 3.002 16.580 -5.652 1.00 70.22 H new ATOM 0 HB3 SER A 12 4.274 15.697 -6.474 1.00 70.22 H new ATOM 0 HG SER A 12 2.648 15.453 -8.263 1.00 62.14 H new ATOM 92 N ALA A 13 3.149 12.166 -6.332 1.00 65.15 N ATOM 93 CA ALA A 13 3.549 11.007 -7.121 1.00 63.13 C ATOM 94 C ALA A 13 2.459 9.940 -7.120 1.00 71.12 C ATOM 95 O ALA A 13 1.445 10.075 -6.435 1.00 44.13 O ATOM 96 CB ALA A 13 4.853 10.431 -6.590 1.00 23.33 C ATOM 0 H ALA A 13 3.007 11.973 -5.340 1.00 65.15 H new ATOM 0 HA ALA A 13 3.701 11.334 -8.150 1.00 63.13 H new ATOM 0 HB1 ALA A 13 5.139 9.566 -7.189 1.00 23.33 H new ATOM 0 HB2 ALA A 13 5.635 11.188 -6.648 1.00 23.33 H new ATOM 0 HB3 ALA A 13 4.720 10.126 -5.552 1.00 23.33 H new ATOM 102 N ASP A 14 2.674 8.880 -7.893 1.00 2.45 N ATOM 103 CA ASP A 14 1.709 7.791 -7.980 1.00 61.25 C ATOM 104 C ASP A 14 1.539 7.105 -6.629 1.00 22.14 C ATOM 105 O ASP A 14 0.420 6.820 -6.202 1.00 70.00 O ATOM 106 CB ASP A 14 2.155 6.771 -9.030 1.00 55.13 C ATOM 107 CG ASP A 14 1.403 5.459 -8.918 1.00 51.32 C ATOM 108 OD1 ASP A 14 1.759 4.646 -8.040 1.00 31.05 O ATOM 109 OD2 ASP A 14 0.461 5.245 -9.709 1.00 50.15 O ATOM 0 H ASP A 14 3.507 8.753 -8.467 1.00 2.45 H new ATOM 0 HA ASP A 14 0.748 8.212 -8.276 1.00 61.25 H new ATOM 0 HB2 ASP A 14 2.005 7.189 -10.025 1.00 55.13 H new ATOM 0 HB3 ASP A 14 3.223 6.585 -8.921 1.00 55.13 H new ATOM 114 N ALA A 15 2.656 6.842 -5.959 1.00 64.03 N ATOM 115 CA ALA A 15 2.631 6.191 -4.655 1.00 74.33 C ATOM 116 C ALA A 15 1.977 7.085 -3.608 1.00 71.02 C ATOM 117 O ALA A 15 1.452 6.602 -2.605 1.00 51.23 O ATOM 118 CB ALA A 15 4.041 5.816 -4.224 1.00 64.15 C ATOM 0 H ALA A 15 3.591 7.070 -6.298 1.00 64.03 H new ATOM 0 HA ALA A 15 2.036 5.282 -4.742 1.00 74.33 H new ATOM 0 HB1 ALA A 15 4.006 5.331 -3.249 1.00 64.15 H new ATOM 0 HB2 ALA A 15 4.475 5.133 -4.954 1.00 64.15 H new ATOM 0 HB3 ALA A 15 4.653 6.715 -4.160 1.00 64.15 H new ATOM 124 N GLY A 16 2.012 8.393 -3.847 1.00 23.14 N ATOM 125 CA GLY A 16 1.419 9.334 -2.914 1.00 62.03 C ATOM 126 C GLY A 16 -0.082 9.450 -3.083 1.00 24.22 C ATOM 127 O GLY A 16 -0.594 10.509 -3.440 1.00 31.22 O ATOM 0 H GLY A 16 2.440 8.817 -4.670 1.00 23.14 H new ATOM 0 HA2 GLY A 16 1.644 9.020 -1.895 1.00 62.03 H new ATOM 0 HA3 GLY A 16 1.874 10.315 -3.053 1.00 62.03 H new ATOM 131 N GLY A 17 -0.791 8.354 -2.827 1.00 43.01 N ATOM 132 CA GLY A 17 -2.236 8.357 -2.959 1.00 4.00 C ATOM 133 C GLY A 17 -2.719 7.442 -4.067 1.00 21.42 C ATOM 134 O GLY A 17 -3.833 7.595 -4.567 1.00 44.44 O ATOM 0 H GLY A 17 -0.390 7.464 -2.531 1.00 43.01 H new ATOM 0 HA2 GLY A 17 -2.685 8.048 -2.015 1.00 4.00 H new ATOM 0 HA3 GLY A 17 -2.578 9.373 -3.156 1.00 4.00 H new ATOM 138 N GLY A 18 -1.878 6.486 -4.452 1.00 5.33 N ATOM 139 CA GLY A 18 -2.243 5.558 -5.505 1.00 44.32 C ATOM 140 C GLY A 18 -2.700 6.263 -6.766 1.00 74.52 C ATOM 141 O GLY A 18 -2.555 7.478 -6.894 1.00 4.52 O ATOM 0 H GLY A 18 -0.951 6.338 -4.053 1.00 5.33 H new ATOM 0 HA2 GLY A 18 -1.389 4.922 -5.737 1.00 44.32 H new ATOM 0 HA3 GLY A 18 -3.039 4.904 -5.149 1.00 44.32 H new ATOM 145 N SER A 19 -3.255 5.498 -7.702 1.00 10.42 N ATOM 146 CA SER A 19 -3.731 6.057 -8.962 1.00 13.32 C ATOM 147 C SER A 19 -4.775 5.146 -9.600 1.00 71.31 C ATOM 148 O SER A 19 -5.696 5.611 -10.271 1.00 24.11 O ATOM 149 CB SER A 19 -2.562 6.265 -9.926 1.00 13.32 C ATOM 150 OG SER A 19 -2.898 7.192 -10.944 1.00 0.33 O ATOM 0 H SER A 19 -3.386 4.490 -7.611 1.00 10.42 H new ATOM 0 HA SER A 19 -4.195 7.021 -8.751 1.00 13.32 H new ATOM 0 HB2 SER A 19 -1.692 6.624 -9.376 1.00 13.32 H new ATOM 0 HB3 SER A 19 -2.283 5.312 -10.375 1.00 13.32 H new ATOM 0 HG SER A 19 -2.133 7.308 -11.546 1.00 0.33 H new ATOM 156 N GLY A 20 -4.624 3.842 -9.386 1.00 24.31 N ATOM 157 CA GLY A 20 -5.560 2.884 -9.945 1.00 53.45 C ATOM 158 C GLY A 20 -5.697 1.640 -9.091 1.00 75.23 C ATOM 159 O GLY A 20 -6.554 1.574 -8.211 1.00 54.23 O ATOM 0 H GLY A 20 -3.870 3.432 -8.835 1.00 24.31 H new ATOM 0 HA2 GLY A 20 -6.537 3.356 -10.053 1.00 53.45 H new ATOM 0 HA3 GLY A 20 -5.231 2.600 -10.945 1.00 53.45 H new ATOM 163 N TRP A 21 -4.851 0.650 -9.353 1.00 74.42 N ATOM 164 CA TRP A 21 -4.883 -0.600 -8.603 1.00 23.14 C ATOM 165 C TRP A 21 -4.747 -0.340 -7.106 1.00 70.43 C ATOM 166 O TRP A 21 -5.203 -1.136 -6.284 1.00 54.43 O ATOM 167 CB TRP A 21 -3.766 -1.532 -9.075 1.00 43.23 C ATOM 168 CG TRP A 21 -2.562 -0.802 -9.590 1.00 73.24 C ATOM 169 CD1 TRP A 21 -1.956 0.283 -9.024 1.00 33.13 C ATOM 170 CD2 TRP A 21 -1.820 -1.103 -10.778 1.00 34.42 C ATOM 171 NE1 TRP A 21 -0.884 0.674 -9.786 1.00 44.55 N ATOM 172 CE2 TRP A 21 -0.778 -0.161 -10.868 1.00 32.01 C ATOM 173 CE3 TRP A 21 -1.935 -2.078 -11.772 1.00 64.41 C ATOM 174 CZ2 TRP A 21 0.142 -0.166 -11.913 1.00 31.12 C ATOM 175 CZ3 TRP A 21 -1.022 -2.082 -12.809 1.00 21.02 C ATOM 176 CH2 TRP A 21 0.006 -1.132 -12.873 1.00 3.31 C ATOM 0 H TRP A 21 -4.135 0.689 -10.079 1.00 74.42 H new ATOM 0 HA TRP A 21 -5.845 -1.079 -8.784 1.00 23.14 H new ATOM 0 HB2 TRP A 21 -3.466 -2.176 -8.248 1.00 43.23 H new ATOM 0 HB3 TRP A 21 -4.152 -2.181 -9.861 1.00 43.23 H new ATOM 0 HD1 TRP A 21 -2.274 0.763 -8.110 1.00 33.13 H new ATOM 0 HE1 TRP A 21 -0.266 1.459 -9.581 1.00 44.55 H new ATOM 0 HE3 TRP A 21 -2.723 -2.815 -11.731 1.00 64.41 H new ATOM 0 HZ2 TRP A 21 0.934 0.566 -11.964 1.00 31.12 H new ATOM 0 HZ3 TRP A 21 -1.102 -2.830 -13.584 1.00 21.02 H new ATOM 0 HH2 TRP A 21 0.705 -1.163 -13.696 1.00 3.31 H new ATOM 187 N LEU A 22 -4.116 0.776 -6.760 1.00 22.05 N ATOM 188 CA LEU A 22 -3.919 1.140 -5.361 1.00 31.00 C ATOM 189 C LEU A 22 -5.244 1.513 -4.704 1.00 52.31 C ATOM 190 O LEU A 22 -5.280 1.935 -3.548 1.00 43.52 O ATOM 191 CB LEU A 22 -2.936 2.308 -5.251 1.00 23.52 C ATOM 192 CG LEU A 22 -1.483 1.997 -5.611 1.00 62.01 C ATOM 193 CD1 LEU A 22 -1.242 0.495 -5.611 1.00 55.41 C ATOM 194 CD2 LEU A 22 -1.129 2.596 -6.965 1.00 33.12 C ATOM 0 H LEU A 22 -3.732 1.444 -7.428 1.00 22.05 H new ATOM 0 HA LEU A 22 -3.507 0.275 -4.841 1.00 31.00 H new ATOM 0 HB2 LEU A 22 -3.285 3.113 -5.897 1.00 23.52 H new ATOM 0 HB3 LEU A 22 -2.964 2.685 -4.229 1.00 23.52 H new ATOM 0 HG LEU A 22 -0.838 2.447 -4.857 1.00 62.01 H new ATOM 0 HD11 LEU A 22 -0.202 0.293 -5.869 1.00 55.41 H new ATOM 0 HD12 LEU A 22 -1.454 0.092 -4.621 1.00 55.41 H new ATOM 0 HD13 LEU A 22 -1.896 0.022 -6.343 1.00 55.41 H new ATOM 0 HD21 LEU A 22 -0.091 2.365 -7.205 1.00 33.12 H new ATOM 0 HD22 LEU A 22 -1.781 2.175 -7.731 1.00 33.12 H new ATOM 0 HD23 LEU A 22 -1.261 3.677 -6.930 1.00 33.12 H new ATOM 206 N THR A 23 -6.334 1.352 -5.449 1.00 2.35 N ATOM 207 CA THR A 23 -7.662 1.671 -4.939 1.00 71.11 C ATOM 208 C THR A 23 -8.176 0.569 -4.020 1.00 22.12 C ATOM 209 O THR A 23 -9.369 0.500 -3.724 1.00 70.32 O ATOM 210 CB THR A 23 -8.669 1.879 -6.085 1.00 60.21 C ATOM 211 OG1 THR A 23 -8.643 0.754 -6.971 1.00 65.35 O ATOM 212 CG2 THR A 23 -8.351 3.148 -6.861 1.00 11.20 C ATOM 0 H THR A 23 -6.323 1.003 -6.407 1.00 2.35 H new ATOM 0 HA THR A 23 -7.570 2.599 -4.374 1.00 71.11 H new ATOM 0 HB THR A 23 -9.664 1.976 -5.651 1.00 60.21 H new ATOM 0 HG1 THR A 23 -7.978 0.907 -7.674 1.00 65.35 H new ATOM 0 HG21 THR A 23 -9.076 3.274 -7.665 1.00 11.20 H new ATOM 0 HG22 THR A 23 -8.400 4.006 -6.191 1.00 11.20 H new ATOM 0 HG23 THR A 23 -7.349 3.075 -7.284 1.00 11.20 H new ATOM 220 N GLY A 24 -7.269 -0.292 -3.569 1.00 5.42 N ATOM 221 CA GLY A 24 -7.651 -1.378 -2.686 1.00 63.03 C ATOM 222 C GLY A 24 -7.344 -2.740 -3.277 1.00 71.42 C ATOM 223 O GLY A 24 -8.225 -3.593 -3.377 1.00 30.14 O ATOM 0 H GLY A 24 -6.276 -0.257 -3.800 1.00 5.42 H new ATOM 0 HA2 GLY A 24 -7.128 -1.271 -1.736 1.00 63.03 H new ATOM 0 HA3 GLY A 24 -8.718 -1.310 -2.472 1.00 63.03 H new ATOM 227 N TRP A 25 -6.093 -2.943 -3.672 1.00 40.13 N ATOM 228 CA TRP A 25 -5.673 -4.211 -4.258 1.00 42.24 C ATOM 229 C TRP A 25 -4.428 -4.748 -3.561 1.00 43.23 C ATOM 230 O TRP A 25 -3.577 -5.380 -4.187 1.00 64.14 O ATOM 231 CB TRP A 25 -5.400 -4.039 -5.754 1.00 50.01 C ATOM 232 CG TRP A 25 -3.979 -3.675 -6.061 1.00 23.13 C ATOM 233 CD1 TRP A 25 -3.266 -2.639 -5.531 1.00 53.42 C ATOM 234 CD2 TRP A 25 -3.101 -4.346 -6.970 1.00 44.01 C ATOM 235 NE1 TRP A 25 -1.996 -2.624 -6.056 1.00 53.22 N ATOM 236 CE2 TRP A 25 -1.869 -3.662 -6.941 1.00 14.02 C ATOM 237 CE3 TRP A 25 -3.233 -5.459 -7.805 1.00 4.23 C ATOM 238 CZ2 TRP A 25 -0.781 -4.055 -7.716 1.00 33.23 C ATOM 239 CZ3 TRP A 25 -2.151 -5.848 -8.573 1.00 33.30 C ATOM 240 CH2 TRP A 25 -0.939 -5.148 -8.524 1.00 61.01 C ATOM 0 H TRP A 25 -5.352 -2.246 -3.597 1.00 40.13 H new ATOM 0 HA TRP A 25 -6.481 -4.930 -4.123 1.00 42.24 H new ATOM 0 HB2 TRP A 25 -5.650 -4.966 -6.270 1.00 50.01 H new ATOM 0 HB3 TRP A 25 -6.059 -3.266 -6.150 1.00 50.01 H new ATOM 0 HD1 TRP A 25 -3.644 -1.934 -4.805 1.00 53.42 H new ATOM 0 HE1 TRP A 25 -1.267 -1.950 -5.824 1.00 53.22 H new ATOM 0 HE3 TRP A 25 -4.163 -6.005 -7.850 1.00 4.23 H new ATOM 0 HZ2 TRP A 25 0.154 -3.516 -7.681 1.00 33.23 H new ATOM 0 HZ3 TRP A 25 -2.242 -6.707 -9.222 1.00 33.30 H new ATOM 0 HH2 TRP A 25 -0.113 -5.477 -9.136 1.00 61.01 H new ATOM 251 N LEU A 26 -4.326 -4.492 -2.261 1.00 33.32 N ATOM 252 CA LEU A 26 -3.184 -4.951 -1.478 1.00 41.30 C ATOM 253 C LEU A 26 -3.473 -4.849 0.016 1.00 44.01 C ATOM 254 O LEU A 26 -4.318 -4.071 0.459 1.00 61.12 O ATOM 255 CB LEU A 26 -1.940 -4.131 -1.825 1.00 13.13 C ATOM 256 CG LEU A 26 -1.915 -2.695 -1.299 1.00 63.14 C ATOM 257 CD1 LEU A 26 -0.613 -2.009 -1.684 1.00 53.41 C ATOM 258 CD2 LEU A 26 -3.108 -1.912 -1.826 1.00 50.41 C ATOM 0 H LEU A 26 -5.020 -3.969 -1.727 1.00 33.32 H new ATOM 0 HA LEU A 26 -3.002 -5.997 -1.724 1.00 41.30 H new ATOM 0 HB2 LEU A 26 -1.065 -4.654 -1.438 1.00 13.13 H new ATOM 0 HB3 LEU A 26 -1.840 -4.101 -2.910 1.00 13.13 H new ATOM 0 HG LEU A 26 -1.979 -2.726 -0.211 1.00 63.14 H new ATOM 0 HD11 LEU A 26 -0.613 -0.988 -1.302 1.00 53.41 H new ATOM 0 HD12 LEU A 26 0.227 -2.557 -1.257 1.00 53.41 H new ATOM 0 HD13 LEU A 26 -0.519 -1.990 -2.770 1.00 53.41 H new ATOM 0 HD21 LEU A 26 -3.073 -0.893 -1.441 1.00 50.41 H new ATOM 0 HD22 LEU A 26 -3.076 -1.890 -2.915 1.00 50.41 H new ATOM 0 HD23 LEU A 26 -4.031 -2.392 -1.500 1.00 50.41 H new ATOM 270 N PRO A 27 -2.754 -5.652 0.814 1.00 5.01 N ATOM 271 CA PRO A 27 -2.913 -5.670 2.271 1.00 25.04 C ATOM 272 C PRO A 27 -2.396 -4.393 2.926 1.00 4.12 C ATOM 273 O PRO A 27 -1.946 -3.472 2.245 1.00 52.55 O ATOM 274 CB PRO A 27 -2.071 -6.872 2.706 1.00 60.24 C ATOM 275 CG PRO A 27 -1.053 -7.031 1.629 1.00 22.23 C ATOM 276 CD PRO A 27 -1.728 -6.605 0.355 1.00 74.21 C ATOM 0 HA PRO A 27 -3.960 -5.737 2.565 1.00 25.04 H new ATOM 0 HB2 PRO A 27 -1.600 -6.696 3.673 1.00 60.24 H new ATOM 0 HB3 PRO A 27 -2.683 -7.768 2.808 1.00 60.24 H new ATOM 0 HG2 PRO A 27 -0.174 -6.418 1.829 1.00 22.23 H new ATOM 0 HG3 PRO A 27 -0.712 -8.064 1.563 1.00 22.23 H new ATOM 0 HD2 PRO A 27 -1.025 -6.138 -0.335 1.00 74.21 H new ATOM 0 HD3 PRO A 27 -2.172 -7.452 -0.167 1.00 74.21 H new ATOM 284 N THR A 28 -2.463 -4.345 4.253 1.00 23.20 N ATOM 285 CA THR A 28 -2.002 -3.182 5.001 1.00 73.14 C ATOM 286 C THR A 28 -0.526 -2.909 4.737 1.00 44.41 C ATOM 287 O THR A 28 -0.018 -1.833 5.055 1.00 44.12 O ATOM 288 CB THR A 28 -2.217 -3.365 6.514 1.00 23.34 C ATOM 289 OG1 THR A 28 -3.480 -3.995 6.757 1.00 0.42 O ATOM 290 CG2 THR A 28 -2.164 -2.027 7.234 1.00 12.44 C ATOM 0 H THR A 28 -2.833 -5.099 4.832 1.00 23.20 H new ATOM 0 HA THR A 28 -2.593 -2.332 4.659 1.00 73.14 H new ATOM 0 HB THR A 28 -1.417 -3.997 6.898 1.00 23.34 H new ATOM 0 HG1 THR A 28 -3.608 -4.109 7.722 1.00 0.42 H new ATOM 0 HG21 THR A 28 -2.319 -2.182 8.302 1.00 12.44 H new ATOM 0 HG22 THR A 28 -1.190 -1.565 7.072 1.00 12.44 H new ATOM 0 HG23 THR A 28 -2.945 -1.374 6.845 1.00 12.44 H new ATOM 298 N TRP A 29 0.157 -3.887 4.155 1.00 41.14 N ATOM 299 CA TRP A 29 1.577 -3.751 3.848 1.00 1.01 C ATOM 300 C TRP A 29 1.805 -2.671 2.796 1.00 44.52 C ATOM 301 O TRP A 29 1.785 -2.947 1.597 1.00 53.15 O ATOM 302 CB TRP A 29 2.144 -5.084 3.359 1.00 21.11 C ATOM 303 CG TRP A 29 2.115 -6.160 4.403 1.00 21.41 C ATOM 304 CD1 TRP A 29 1.124 -6.392 5.313 1.00 4.23 C ATOM 305 CD2 TRP A 29 3.123 -7.149 4.643 1.00 51.31 C ATOM 306 NE1 TRP A 29 1.455 -7.466 6.105 1.00 52.51 N ATOM 307 CE2 TRP A 29 2.676 -7.947 5.714 1.00 73.15 C ATOM 308 CE3 TRP A 29 4.357 -7.438 4.057 1.00 42.13 C ATOM 309 CZ2 TRP A 29 3.421 -9.014 6.209 1.00 5.10 C ATOM 310 CZ3 TRP A 29 5.097 -8.496 4.550 1.00 63.52 C ATOM 311 CH2 TRP A 29 4.628 -9.274 5.617 1.00 34.41 C ATOM 0 H TRP A 29 -0.249 -4.783 3.886 1.00 41.14 H new ATOM 0 HA TRP A 29 2.094 -3.458 4.761 1.00 1.01 H new ATOM 0 HB2 TRP A 29 1.576 -5.415 2.490 1.00 21.11 H new ATOM 0 HB3 TRP A 29 3.172 -4.935 3.030 1.00 21.11 H new ATOM 0 HD1 TRP A 29 0.214 -5.817 5.398 1.00 4.23 H new ATOM 0 HE1 TRP A 29 0.884 -7.843 6.861 1.00 52.51 H new ATOM 0 HE3 TRP A 29 4.727 -6.845 3.233 1.00 42.13 H new ATOM 0 HZ2 TRP A 29 3.060 -9.615 7.030 1.00 5.10 H new ATOM 0 HZ3 TRP A 29 6.054 -8.727 4.105 1.00 63.52 H new ATOM 0 HH2 TRP A 29 5.230 -10.094 5.979 1.00 34.41 H new ATOM 322 N CYS A 30 2.022 -1.442 3.254 1.00 61.45 N ATOM 323 CA CYS A 30 2.255 -0.321 2.350 1.00 13.12 C ATOM 324 C CYS A 30 3.134 0.736 3.011 1.00 54.22 C ATOM 325 O CYS A 30 2.689 1.839 3.328 1.00 75.31 O ATOM 326 CB CYS A 30 0.923 0.299 1.923 1.00 42.44 C ATOM 327 SG CYS A 30 1.027 1.308 0.425 1.00 12.31 S ATOM 0 H CYS A 30 2.041 -1.197 4.244 1.00 61.45 H new ATOM 0 HA CYS A 30 2.773 -0.697 1.468 1.00 13.12 H new ATOM 0 HB2 CYS A 30 0.198 -0.499 1.762 1.00 42.44 H new ATOM 0 HB3 CYS A 30 0.543 0.915 2.738 1.00 42.44 H new ATOM 0 HG CYS A 30 -0.148 1.787 0.142 1.00 12.31 H new ATOM 333 N PRO A 31 4.413 0.392 3.225 1.00 34.24 N ATOM 334 CA PRO A 31 5.380 1.298 3.851 1.00 24.54 C ATOM 335 C PRO A 31 5.745 2.471 2.949 1.00 50.44 C ATOM 336 O PRO A 31 6.848 2.530 2.404 1.00 14.11 O ATOM 337 CB PRO A 31 6.602 0.404 4.085 1.00 35.35 C ATOM 338 CG PRO A 31 6.484 -0.673 3.062 1.00 24.05 C ATOM 339 CD PRO A 31 5.011 -0.906 2.873 1.00 74.02 C ATOM 0 HA PRO A 31 4.984 1.751 4.760 1.00 24.54 H new ATOM 0 HB2 PRO A 31 7.530 0.963 3.966 1.00 35.35 H new ATOM 0 HB3 PRO A 31 6.604 -0.007 5.094 1.00 35.35 H new ATOM 0 HG2 PRO A 31 6.955 -0.375 2.125 1.00 24.05 H new ATOM 0 HG3 PRO A 31 6.983 -1.583 3.394 1.00 24.05 H new ATOM 0 HD2 PRO A 31 4.778 -1.191 1.847 1.00 74.02 H new ATOM 0 HD3 PRO A 31 4.645 -1.705 3.517 1.00 74.02 H new ATOM 347 N THR A 32 4.812 3.404 2.794 1.00 54.42 N ATOM 348 CA THR A 32 5.034 4.577 1.956 1.00 34.00 C ATOM 349 C THR A 32 5.519 5.761 2.786 1.00 72.54 C ATOM 350 O THR A 32 5.172 6.908 2.508 1.00 10.02 O ATOM 351 CB THR A 32 3.752 4.982 1.205 1.00 54.25 C ATOM 352 OG1 THR A 32 2.628 4.931 2.090 1.00 2.24 O ATOM 353 CG2 THR A 32 3.509 4.064 0.015 1.00 11.32 C ATOM 0 H THR A 32 3.894 3.371 3.238 1.00 54.42 H new ATOM 0 HA THR A 32 5.801 4.307 1.230 1.00 34.00 H new ATOM 0 HB THR A 32 3.879 6.001 0.839 1.00 54.25 H new ATOM 0 HG1 THR A 32 1.817 5.191 1.605 1.00 2.24 H new ATOM 0 HG21 THR A 32 2.598 4.369 -0.500 1.00 11.32 H new ATOM 0 HG22 THR A 32 4.353 4.128 -0.672 1.00 11.32 H new ATOM 0 HG23 THR A 32 3.402 3.037 0.364 1.00 11.32 H new ATOM 361 N SER A 33 6.325 5.474 3.803 1.00 51.30 N ATOM 362 CA SER A 33 6.856 6.515 4.674 1.00 11.32 C ATOM 363 C SER A 33 7.853 7.394 3.925 1.00 2.32 C ATOM 364 O SER A 33 8.150 7.159 2.754 1.00 52.05 O ATOM 365 CB SER A 33 7.528 5.892 5.898 1.00 1.14 C ATOM 366 OG SER A 33 8.923 5.744 5.695 1.00 70.24 O ATOM 0 H SER A 33 6.624 4.529 4.044 1.00 51.30 H new ATOM 0 HA SER A 33 6.024 7.138 5.003 1.00 11.32 H new ATOM 0 HB2 SER A 33 7.349 6.518 6.773 1.00 1.14 H new ATOM 0 HB3 SER A 33 7.082 4.919 6.105 1.00 1.14 H new ATOM 0 HG SER A 33 9.329 5.345 6.493 1.00 70.24 H new ATOM 372 N THR A 34 8.368 8.410 4.611 1.00 53.22 N ATOM 373 CA THR A 34 9.331 9.326 4.012 1.00 52.43 C ATOM 374 C THR A 34 10.600 9.417 4.852 1.00 74.12 C ATOM 375 O THR A 34 11.709 9.424 4.320 1.00 53.45 O ATOM 376 CB THR A 34 8.736 10.738 3.847 1.00 30.21 C ATOM 377 OG1 THR A 34 9.750 11.649 3.408 1.00 31.44 O ATOM 378 CG2 THR A 34 8.138 11.230 5.156 1.00 20.30 C ATOM 0 H THR A 34 8.134 8.619 5.582 1.00 53.22 H new ATOM 0 HA THR A 34 9.578 8.926 3.028 1.00 52.43 H new ATOM 0 HB THR A 34 7.944 10.689 3.100 1.00 30.21 H new ATOM 0 HG1 THR A 34 9.363 12.544 3.304 1.00 31.44 H new ATOM 0 HG21 THR A 34 7.724 12.228 5.014 1.00 20.30 H new ATOM 0 HG22 THR A 34 7.346 10.551 5.472 1.00 20.30 H new ATOM 0 HG23 THR A 34 8.914 11.264 5.921 1.00 20.30 H new ATOM 386 N SER A 35 10.429 9.486 6.168 1.00 35.03 N ATOM 387 CA SER A 35 11.561 9.580 7.082 1.00 20.55 C ATOM 388 C SER A 35 11.087 9.611 8.533 1.00 73.23 C ATOM 389 O SER A 35 11.321 8.672 9.295 1.00 44.13 O ATOM 390 CB SER A 35 12.388 10.829 6.777 1.00 1.45 C ATOM 391 OG SER A 35 13.511 10.514 5.972 1.00 12.44 O ATOM 0 H SER A 35 9.517 9.479 6.625 1.00 35.03 H new ATOM 0 HA SER A 35 12.185 8.697 6.940 1.00 20.55 H new ATOM 0 HB2 SER A 35 11.766 11.565 6.267 1.00 1.45 H new ATOM 0 HB3 SER A 35 12.721 11.285 7.709 1.00 1.45 H new ATOM 0 HG SER A 35 13.211 10.071 5.151 1.00 12.44 H new ATOM 397 N HIS A 36 10.419 10.697 8.906 1.00 12.35 N ATOM 398 CA HIS A 36 9.911 10.852 10.265 1.00 42.21 C ATOM 399 C HIS A 36 9.167 12.175 10.420 1.00 11.52 C ATOM 400 O HIS A 36 7.942 12.200 10.542 1.00 13.12 O ATOM 401 CB HIS A 36 11.059 10.778 11.273 1.00 10.23 C ATOM 402 CG HIS A 36 10.997 9.576 12.164 1.00 72.25 C ATOM 403 ND1 HIS A 36 12.053 8.704 12.326 1.00 72.12 N ATOM 404 CD2 HIS A 36 9.998 9.104 12.946 1.00 73.44 C ATOM 405 CE1 HIS A 36 11.706 7.746 13.166 1.00 32.11 C ATOM 406 NE2 HIS A 36 10.463 7.966 13.558 1.00 72.44 N ATOM 0 H HIS A 36 10.217 11.482 8.288 1.00 12.35 H new ATOM 0 HA HIS A 36 9.213 10.038 10.460 1.00 42.21 H new ATOM 0 HB2 HIS A 36 12.006 10.771 10.733 1.00 10.23 H new ATOM 0 HB3 HIS A 36 11.050 11.677 11.889 1.00 10.23 H new ATOM 0 HD2 HIS A 36 9.018 9.541 13.066 1.00 73.44 H new ATOM 0 HE1 HIS A 36 12.331 6.923 13.479 1.00 32.11 H new ATOM 0 HE2 HIS A 36 9.935 7.385 14.209 1.00 72.44 H new ATOM 414 N LEU A 37 9.916 13.273 10.415 1.00 52.03 N ATOM 415 CA LEU A 37 9.327 14.601 10.555 1.00 42.11 C ATOM 416 C LEU A 37 9.113 15.248 9.190 1.00 33.21 C ATOM 417 O LEU A 37 9.784 16.217 8.838 1.00 0.22 O ATOM 418 CB LEU A 37 10.225 15.489 11.417 1.00 21.12 C ATOM 419 CG LEU A 37 10.065 15.336 12.931 1.00 41.43 C ATOM 420 CD1 LEU A 37 8.652 15.699 13.358 1.00 52.24 C ATOM 421 CD2 LEU A 37 10.407 13.917 13.362 1.00 43.05 C ATOM 0 H LEU A 37 10.931 13.270 10.316 1.00 52.03 H new ATOM 0 HA LEU A 37 8.358 14.493 11.041 1.00 42.11 H new ATOM 0 HB2 LEU A 37 11.263 15.281 11.159 1.00 21.12 H new ATOM 0 HB3 LEU A 37 10.033 16.529 11.155 1.00 21.12 H new ATOM 0 HG LEU A 37 10.757 16.020 13.421 1.00 41.43 H new ATOM 0 HD11 LEU A 37 8.557 15.584 14.438 1.00 52.24 H new ATOM 0 HD12 LEU A 37 8.443 16.733 13.083 1.00 52.24 H new ATOM 0 HD13 LEU A 37 7.941 15.041 12.859 1.00 52.24 H new ATOM 0 HD21 LEU A 37 10.288 13.826 14.442 1.00 43.05 H new ATOM 0 HD22 LEU A 37 9.740 13.214 12.863 1.00 43.05 H new ATOM 0 HD23 LEU A 37 11.439 13.693 13.091 1.00 43.05 H new ATOM 433 N LYS A 38 8.169 14.706 8.426 1.00 22.01 N ATOM 434 CA LYS A 38 7.862 15.232 7.101 1.00 23.20 C ATOM 435 C LYS A 38 7.577 16.729 7.163 1.00 53.32 C ATOM 436 O LYS A 38 7.140 17.245 8.191 1.00 71.12 O ATOM 437 CB LYS A 38 6.659 14.497 6.505 1.00 44.20 C ATOM 438 CG LYS A 38 5.425 14.532 7.389 1.00 22.03 C ATOM 439 CD LYS A 38 4.305 15.337 6.751 1.00 4.54 C ATOM 440 CE LYS A 38 2.944 14.725 7.042 1.00 33.24 C ATOM 441 NZ LYS A 38 1.882 15.763 7.152 1.00 33.55 N ATOM 0 H LYS A 38 7.604 13.903 8.702 1.00 22.01 H new ATOM 0 HA LYS A 38 8.731 15.072 6.463 1.00 23.20 H new ATOM 0 HB2 LYS A 38 6.416 14.939 5.539 1.00 44.20 H new ATOM 0 HB3 LYS A 38 6.934 13.459 6.320 1.00 44.20 H new ATOM 0 HG2 LYS A 38 5.082 13.515 7.577 1.00 22.03 H new ATOM 0 HG3 LYS A 38 5.681 14.966 8.356 1.00 22.03 H new ATOM 0 HD2 LYS A 38 4.332 16.360 7.125 1.00 4.54 H new ATOM 0 HD3 LYS A 38 4.460 15.387 5.673 1.00 4.54 H new ATOM 0 HE2 LYS A 38 2.685 14.022 6.250 1.00 33.24 H new ATOM 0 HE3 LYS A 38 2.993 14.155 7.970 1.00 33.24 H new ATOM 0 HZ1 LYS A 38 0.969 15.306 7.351 1.00 33.55 H new ATOM 0 HZ2 LYS A 38 2.116 16.419 7.924 1.00 33.55 H new ATOM 0 HZ3 LYS A 38 1.818 16.290 6.258 1.00 33.55 H new ATOM 455 N GLU A 39 7.825 17.420 6.055 1.00 52.10 N ATOM 456 CA GLU A 39 7.594 18.859 5.984 1.00 22.34 C ATOM 457 C GLU A 39 6.175 19.203 6.429 1.00 64.13 C ATOM 458 O GLU A 39 5.317 18.328 6.537 1.00 34.11 O ATOM 459 CB GLU A 39 7.832 19.367 4.561 1.00 4.21 C ATOM 460 CG GLU A 39 8.305 20.809 4.501 1.00 41.32 C ATOM 461 CD GLU A 39 7.288 21.731 3.860 1.00 14.52 C ATOM 462 OE1 GLU A 39 6.075 21.475 4.016 1.00 51.53 O ATOM 463 OE2 GLU A 39 7.702 22.708 3.202 1.00 14.31 O ATOM 0 H GLU A 39 8.186 17.008 5.195 1.00 52.10 H new ATOM 0 HA GLU A 39 8.297 19.349 6.658 1.00 22.34 H new ATOM 0 HB2 GLU A 39 8.572 18.730 4.076 1.00 4.21 H new ATOM 0 HB3 GLU A 39 6.908 19.273 3.991 1.00 4.21 H new ATOM 0 HG2 GLU A 39 8.521 21.159 5.511 1.00 41.32 H new ATOM 0 HG3 GLU A 39 9.238 20.858 3.940 1.00 41.32 H new ATOM 470 N ALA A 40 5.936 20.486 6.684 1.00 4.01 N ATOM 471 CA ALA A 40 4.623 20.947 7.115 1.00 1.11 C ATOM 472 C ALA A 40 4.510 22.464 7.000 1.00 34.44 C ATOM 473 O ALA A 40 5.374 23.117 6.419 1.00 44.23 O ATOM 474 CB ALA A 40 4.350 20.503 8.545 1.00 74.30 C ATOM 0 H ALA A 40 6.635 21.224 6.599 1.00 4.01 H new ATOM 0 HA ALA A 40 3.875 20.501 6.459 1.00 1.11 H new ATOM 0 HB1 ALA A 40 3.365 20.855 8.853 1.00 74.30 H new ATOM 0 HB2 ALA A 40 4.380 19.415 8.600 1.00 74.30 H new ATOM 0 HB3 ALA A 40 5.108 20.921 9.207 1.00 74.30 H new ATOM 480 N GLU A 41 3.435 23.016 7.557 1.00 62.44 N ATOM 481 CA GLU A 41 3.208 24.455 7.514 1.00 44.52 C ATOM 482 C GLU A 41 4.334 25.205 8.222 1.00 25.11 C ATOM 483 O GLU A 41 5.357 24.618 8.576 1.00 1.11 O ATOM 484 CB GLU A 41 1.865 24.803 8.160 1.00 25.42 C ATOM 485 CG GLU A 41 0.699 24.004 7.604 1.00 71.13 C ATOM 486 CD GLU A 41 -0.631 24.708 7.789 1.00 74.11 C ATOM 487 OE1 GLU A 41 -0.843 25.305 8.866 1.00 61.41 O ATOM 488 OE2 GLU A 41 -1.460 24.663 6.857 1.00 53.23 O ATOM 0 H GLU A 41 2.709 22.488 8.042 1.00 62.44 H new ATOM 0 HA GLU A 41 3.190 24.762 6.468 1.00 44.52 H new ATOM 0 HB2 GLU A 41 1.933 24.632 9.234 1.00 25.42 H new ATOM 0 HB3 GLU A 41 1.667 25.866 8.018 1.00 25.42 H new ATOM 0 HG2 GLU A 41 0.863 23.819 6.542 1.00 71.13 H new ATOM 0 HG3 GLU A 41 0.663 23.032 8.095 1.00 71.13 H new ATOM 495 N GLU A 42 4.137 26.503 8.424 1.00 1.55 N ATOM 496 CA GLU A 42 5.135 27.333 9.089 1.00 64.24 C ATOM 497 C GLU A 42 5.556 26.717 10.420 1.00 53.23 C ATOM 498 O GLU A 42 4.824 26.785 11.408 1.00 62.33 O ATOM 499 CB GLU A 42 4.589 28.744 9.317 1.00 61.10 C ATOM 500 CG GLU A 42 4.338 29.515 8.032 1.00 61.42 C ATOM 501 CD GLU A 42 4.250 31.011 8.257 1.00 15.31 C ATOM 502 OE1 GLU A 42 5.309 31.673 8.264 1.00 54.32 O ATOM 503 OE2 GLU A 42 3.122 31.520 8.426 1.00 50.52 O ATOM 0 H GLU A 42 3.296 27.003 8.137 1.00 1.55 H new ATOM 0 HA GLU A 42 6.010 27.391 8.442 1.00 64.24 H new ATOM 0 HB2 GLU A 42 3.657 28.677 9.879 1.00 61.10 H new ATOM 0 HB3 GLU A 42 5.294 29.302 9.934 1.00 61.10 H new ATOM 0 HG2 GLU A 42 5.140 29.304 7.324 1.00 61.42 H new ATOM 0 HG3 GLU A 42 3.411 29.165 7.578 1.00 61.42 H new ATOM 510 N LYS A 43 6.741 26.116 10.439 1.00 22.54 N ATOM 511 CA LYS A 43 7.261 25.488 11.648 1.00 64.44 C ATOM 512 C LYS A 43 8.776 25.327 11.568 1.00 41.00 C ATOM 513 O LYS A 43 9.248 24.339 11.005 1.00 12.33 O ATOM 514 CB LYS A 43 6.603 24.122 11.861 1.00 43.51 C ATOM 515 CG LYS A 43 7.240 23.308 12.974 1.00 13.23 C ATOM 516 CD LYS A 43 7.126 24.013 14.316 1.00 23.23 C ATOM 517 CE LYS A 43 8.495 24.290 14.918 1.00 3.10 C ATOM 518 NZ LYS A 43 9.235 23.032 15.215 1.00 20.01 N ATOM 0 H LYS A 43 7.360 26.051 9.631 1.00 22.54 H new ATOM 0 HA LYS A 43 7.026 26.134 12.494 1.00 64.44 H new ATOM 0 HB2 LYS A 43 5.547 24.268 12.088 1.00 43.51 H new ATOM 0 HB3 LYS A 43 6.654 23.554 10.932 1.00 43.51 H new ATOM 0 HG2 LYS A 43 6.759 22.332 13.033 1.00 13.23 H new ATOM 0 HG3 LYS A 43 8.291 23.132 12.742 1.00 13.23 H new ATOM 0 HD2 LYS A 43 6.586 24.951 14.190 1.00 23.23 H new ATOM 0 HD3 LYS A 43 6.543 23.399 15.002 1.00 23.23 H new ATOM 0 HE2 LYS A 43 9.078 24.900 14.228 1.00 3.10 H new ATOM 0 HE3 LYS A 43 8.378 24.868 15.835 1.00 3.10 H new ATOM 0 HZ1 LYS A 43 9.972 23.222 15.923 1.00 20.01 H new ATOM 0 HZ2 LYS A 43 8.574 22.320 15.586 1.00 20.01 H new ATOM 0 HZ3 LYS A 43 9.676 22.675 14.344 1.00 20.01 H new TER 532 LYS A 43