USER MOD reduce.3.24.130724 H: found=0, std=0, add=188, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 189 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 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -69:sc= 1.17 USER MOD Single : A 10 SER OG : rot 75:sc= 1.21 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -170:sc=-0.00123 (180deg=-0.0702) USER MOD Single : A 20 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.309) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 3 34.428 16.155 17.845 1.00 10.00 N ATOM 19 CA ASP A 3 34.877 17.187 18.811 1.00 10.00 C ATOM 20 C ASP A 3 35.882 18.195 18.152 1.00 10.00 C ATOM 21 O ASP A 3 35.783 19.381 18.464 1.00 10.00 O ATOM 22 CB ASP A 3 35.488 16.637 20.118 1.00 10.00 C ATOM 23 CG ASP A 3 35.234 17.501 21.393 1.00 10.00 C ATOM 24 OD1 ASP A 3 34.191 18.214 21.470 1.00 10.00 O ATOM 25 OD2 ASP A 3 36.147 17.634 22.227 1.00 10.00 O ATOM 0 HA ASP A 3 33.958 17.700 19.093 1.00 10.00 H new ATOM 0 HB2 ASP A 3 35.090 15.637 20.292 1.00 10.00 H new ATOM 0 HB3 ASP A 3 36.564 16.532 19.980 1.00 10.00 H new ATOM 30 N ALA A 4 36.644 17.760 17.151 1.00 10.00 N ATOM 31 CA ALA A 4 37.376 18.797 16.290 1.00 10.00 C ATOM 32 C ALA A 4 36.404 19.720 15.487 1.00 10.00 C ATOM 33 O ALA A 4 36.678 20.906 15.389 1.00 10.00 O ATOM 34 CB ALA A 4 38.346 18.069 15.337 1.00 10.00 C ATOM 0 H ALA A 4 36.791 16.783 16.896 1.00 10.00 H new ATOM 0 HA ALA A 4 37.930 19.453 16.961 1.00 10.00 H new ATOM 0 HB1 ALA A 4 38.870 18.801 14.722 1.00 10.00 H new ATOM 0 HB2 ALA A 4 39.070 17.500 15.920 1.00 10.00 H new ATOM 0 HB3 ALA A 4 37.784 17.391 14.695 1.00 10.00 H new ATOM 40 N ALA A 5 35.260 19.243 14.996 1.00 10.00 N ATOM 41 CA ALA A 5 34.179 20.131 14.491 1.00 10.00 C ATOM 42 C ALA A 5 33.578 21.031 15.527 1.00 10.00 C ATOM 43 O ALA A 5 32.932 21.954 15.093 1.00 10.00 O ATOM 44 CB ALA A 5 33.066 19.230 13.845 1.00 10.00 C ATOM 0 H ALA A 5 35.045 18.248 14.932 1.00 10.00 H new ATOM 0 HA ALA A 5 34.630 20.803 13.761 1.00 10.00 H new ATOM 0 HB1 ALA A 5 32.261 19.861 13.467 1.00 10.00 H new ATOM 0 HB2 ALA A 5 33.494 18.656 13.023 1.00 10.00 H new ATOM 0 HB3 ALA A 5 32.669 18.547 14.596 1.00 10.00 H new ATOM 50 N VAL A 6 33.962 20.965 16.822 1.00 10.00 N ATOM 51 CA VAL A 6 33.602 21.887 17.899 1.00 10.00 C ATOM 52 C VAL A 6 34.881 22.664 18.432 1.00 10.00 C ATOM 53 O VAL A 6 34.884 23.128 19.569 1.00 10.00 O ATOM 54 CB VAL A 6 32.801 21.201 19.078 1.00 10.00 C ATOM 55 CG1 VAL A 6 32.000 22.246 19.972 1.00 10.00 C ATOM 56 CG2 VAL A 6 31.824 20.126 18.606 1.00 10.00 C ATOM 0 H VAL A 6 34.570 20.216 17.153 1.00 10.00 H new ATOM 0 HA VAL A 6 32.914 22.612 17.464 1.00 10.00 H new ATOM 0 HB VAL A 6 33.578 20.729 19.679 1.00 10.00 H new ATOM 0 HG11 VAL A 6 31.470 21.717 20.764 1.00 10.00 H new ATOM 0 HG12 VAL A 6 32.698 22.957 20.414 1.00 10.00 H new ATOM 0 HG13 VAL A 6 31.282 22.781 19.351 1.00 10.00 H new ATOM 0 HG21 VAL A 6 31.310 19.698 19.467 1.00 10.00 H new ATOM 0 HG22 VAL A 6 31.093 20.570 17.930 1.00 10.00 H new ATOM 0 HG23 VAL A 6 32.371 19.341 18.084 1.00 10.00 H new ATOM 66 N ASP A 7 35.952 22.557 17.715 1.00 10.00 N ATOM 67 CA ASP A 7 37.352 23.078 18.048 1.00 10.00 C ATOM 68 C ASP A 7 37.807 22.557 19.417 1.00 10.00 C ATOM 69 O ASP A 7 38.295 23.237 20.324 1.00 10.00 O ATOM 70 CB ASP A 7 37.461 24.598 18.040 1.00 10.00 C ATOM 71 CG ASP A 7 38.892 25.054 18.091 1.00 10.00 C ATOM 72 OD1 ASP A 7 39.770 24.356 17.605 1.00 10.00 O ATOM 73 OD2 ASP A 7 39.246 26.137 18.672 1.00 10.00 O ATOM 0 H ASP A 7 35.933 22.083 16.812 1.00 10.00 H new ATOM 0 HA ASP A 7 37.999 22.702 17.255 1.00 10.00 H new ATOM 0 HB2 ASP A 7 36.986 24.992 17.142 1.00 10.00 H new ATOM 0 HB3 ASP A 7 36.919 25.006 18.893 1.00 10.00 H new ATOM 78 N THR A 8 37.597 21.276 19.593 1.00 10.00 N ATOM 79 CA THR A 8 37.917 20.415 20.778 1.00 10.00 C ATOM 80 C THR A 8 37.385 21.116 22.084 1.00 10.00 C ATOM 81 O THR A 8 38.125 21.781 22.825 1.00 10.00 O ATOM 82 CB THR A 8 39.451 20.036 20.794 1.00 10.00 C ATOM 83 OG1 THR A 8 39.970 19.451 19.550 1.00 10.00 O ATOM 84 CG2 THR A 8 39.886 19.075 21.944 1.00 10.00 C ATOM 0 H THR A 8 37.156 20.726 18.856 1.00 10.00 H new ATOM 0 HA THR A 8 37.401 19.457 20.718 1.00 10.00 H new ATOM 0 HB THR A 8 39.884 21.025 20.947 1.00 10.00 H new ATOM 0 HG1 THR A 8 40.924 19.252 19.655 1.00 10.00 H new ATOM 0 HG21 THR A 8 40.955 18.876 21.867 1.00 10.00 H new ATOM 0 HG22 THR A 8 39.671 19.539 22.907 1.00 10.00 H new ATOM 0 HG23 THR A 8 39.336 18.138 21.862 1.00 10.00 H new ATOM 92 N SER A 9 36.150 20.811 22.434 1.00 10.00 N ATOM 93 CA SER A 9 35.480 21.232 23.705 1.00 10.00 C ATOM 94 C SER A 9 35.984 20.462 24.928 1.00 10.00 C ATOM 95 O SER A 9 35.757 20.818 26.051 1.00 10.00 O ATOM 96 CB SER A 9 33.976 20.968 23.507 1.00 10.00 C ATOM 97 OG SER A 9 33.681 19.581 23.557 1.00 10.00 O ATOM 0 H SER A 9 35.544 20.246 21.840 1.00 10.00 H new ATOM 0 HA SER A 9 35.700 22.282 23.901 1.00 10.00 H new ATOM 0 HB2 SER A 9 33.409 21.490 24.278 1.00 10.00 H new ATOM 0 HB3 SER A 9 33.657 21.375 22.547 1.00 10.00 H new ATOM 0 HG SER A 9 34.061 19.137 22.770 1.00 10.00 H new ATOM 103 N SER A 10 36.552 19.291 24.687 1.00 10.00 N ATOM 104 CA SER A 10 37.194 18.378 25.693 1.00 10.00 C ATOM 105 C SER A 10 38.295 19.056 26.593 1.00 10.00 C ATOM 106 O SER A 10 38.568 18.485 27.678 1.00 10.00 O ATOM 107 CB SER A 10 37.924 17.197 24.995 1.00 10.00 C ATOM 108 OG SER A 10 36.919 16.397 24.310 1.00 10.00 O ATOM 0 H SER A 10 36.594 18.907 23.743 1.00 10.00 H new ATOM 0 HA SER A 10 36.354 18.063 26.313 1.00 10.00 H new ATOM 0 HB2 SER A 10 38.664 17.570 24.287 1.00 10.00 H new ATOM 0 HB3 SER A 10 38.460 16.593 25.727 1.00 10.00 H new ATOM 0 HG SER A 10 36.628 16.863 23.498 1.00 10.00 H new ATOM 114 N GLU A 11 38.735 20.310 26.194 1.00 10.00 N ATOM 115 CA GLU A 11 39.813 21.054 26.999 1.00 10.00 C ATOM 116 C GLU A 11 39.139 22.027 27.961 1.00 10.00 C ATOM 117 O GLU A 11 39.614 22.158 29.088 1.00 10.00 O ATOM 118 CB GLU A 11 40.944 21.643 26.125 1.00 10.00 C ATOM 119 CG GLU A 11 42.061 20.648 25.679 1.00 10.00 C ATOM 120 CD GLU A 11 43.306 21.374 25.433 1.00 10.00 C ATOM 121 OE1 GLU A 11 43.580 21.822 24.307 1.00 10.00 O ATOM 122 OE2 GLU A 11 44.122 21.379 26.474 1.00 10.00 O ATOM 0 H GLU A 11 38.391 20.809 25.373 1.00 10.00 H new ATOM 0 HA GLU A 11 40.363 20.339 27.611 1.00 10.00 H new ATOM 0 HB2 GLU A 11 40.495 22.077 25.231 1.00 10.00 H new ATOM 0 HB3 GLU A 11 41.412 22.459 26.675 1.00 10.00 H new ATOM 0 HG2 GLU A 11 42.216 19.893 26.450 1.00 10.00 H new ATOM 0 HG3 GLU A 11 41.752 20.122 24.776 1.00 10.00 H new ATOM 129 N ILE A 12 38.049 22.670 27.480 1.00 10.00 N ATOM 130 CA ILE A 12 37.275 23.712 28.236 1.00 10.00 C ATOM 131 C ILE A 12 36.079 23.176 29.089 1.00 10.00 C ATOM 132 O ILE A 12 35.787 23.719 30.114 1.00 10.00 O ATOM 133 CB ILE A 12 36.851 24.919 27.293 1.00 10.00 C ATOM 134 CG1 ILE A 12 36.054 24.441 26.073 1.00 10.00 C ATOM 135 CG2 ILE A 12 38.043 25.787 26.923 1.00 10.00 C ATOM 136 CD1 ILE A 12 35.056 25.297 25.432 1.00 10.00 C ATOM 0 H ILE A 12 37.670 22.487 26.551 1.00 10.00 H new ATOM 0 HA ILE A 12 37.975 24.087 28.983 1.00 10.00 H new ATOM 0 HB ILE A 12 36.174 25.557 27.861 1.00 10.00 H new ATOM 0 HG12 ILE A 12 36.780 24.170 25.306 1.00 10.00 H new ATOM 0 HG13 ILE A 12 35.544 23.524 26.367 1.00 10.00 H new ATOM 0 HG21 ILE A 12 37.714 26.601 26.278 1.00 10.00 H new ATOM 0 HG22 ILE A 12 38.488 26.199 27.829 1.00 10.00 H new ATOM 0 HG23 ILE A 12 38.783 25.184 26.397 1.00 10.00 H new ATOM 0 HD11 ILE A 12 34.610 24.768 24.590 1.00 10.00 H new ATOM 0 HD12 ILE A 12 34.279 25.553 26.153 1.00 10.00 H new ATOM 0 HD13 ILE A 12 35.534 26.209 25.075 1.00 10.00 H new ATOM 148 N THR A 13 35.441 22.078 28.643 1.00 10.00 N ATOM 149 CA THR A 13 34.271 21.377 29.234 1.00 10.00 C ATOM 150 C THR A 13 34.106 21.283 30.755 1.00 10.00 C ATOM 151 O THR A 13 32.981 21.412 31.098 1.00 10.00 O ATOM 152 CB THR A 13 34.388 19.833 28.816 1.00 10.00 C ATOM 153 OG1 THR A 13 33.561 18.921 29.484 1.00 10.00 O ATOM 154 CG2 THR A 13 35.877 19.328 29.093 1.00 10.00 C ATOM 0 H THR A 13 35.752 21.615 27.789 1.00 10.00 H new ATOM 0 HA THR A 13 33.444 21.984 28.867 1.00 10.00 H new ATOM 0 HB THR A 13 34.079 19.838 27.771 1.00 10.00 H new ATOM 0 HG1 THR A 13 33.725 18.018 29.140 1.00 10.00 H new ATOM 0 HG21 THR A 13 35.964 18.279 28.811 1.00 10.00 H new ATOM 0 HG22 THR A 13 36.578 19.921 28.505 1.00 10.00 H new ATOM 0 HG23 THR A 13 36.108 19.439 30.152 1.00 10.00 H new ATOM 162 N THR A 14 35.108 21.248 31.703 1.00 10.00 N ATOM 163 CA THR A 14 34.858 21.378 33.159 1.00 10.00 C ATOM 164 C THR A 14 34.154 22.775 33.435 1.00 10.00 C ATOM 165 O THR A 14 33.215 22.836 34.199 1.00 10.00 O ATOM 166 CB THR A 14 36.121 21.177 34.019 1.00 10.00 C ATOM 167 OG1 THR A 14 36.891 20.044 33.758 1.00 10.00 O ATOM 168 CG2 THR A 14 35.609 20.912 35.384 1.00 10.00 C ATOM 0 H THR A 14 36.093 21.130 31.467 1.00 10.00 H new ATOM 0 HA THR A 14 34.193 20.570 33.464 1.00 10.00 H new ATOM 0 HB THR A 14 36.745 22.053 33.840 1.00 10.00 H new ATOM 0 HG1 THR A 14 37.662 20.026 34.362 1.00 10.00 H new ATOM 0 HG21 THR A 14 36.447 20.757 36.063 1.00 10.00 H new ATOM 0 HG22 THR A 14 35.020 21.764 35.723 1.00 10.00 H new ATOM 0 HG23 THR A 14 34.983 20.020 35.371 1.00 10.00 H new ATOM 176 N LYS A 15 34.589 23.854 32.740 1.00 10.00 N ATOM 177 CA LYS A 15 33.989 25.197 32.811 1.00 10.00 C ATOM 178 C LYS A 15 32.529 25.135 32.382 1.00 10.00 C ATOM 179 O LYS A 15 31.596 25.697 33.051 1.00 10.00 O ATOM 180 CB LYS A 15 34.780 26.227 32.036 1.00 10.00 C ATOM 181 CG LYS A 15 36.354 26.363 32.416 1.00 10.00 C ATOM 182 CD LYS A 15 37.110 27.219 31.449 1.00 10.00 C ATOM 183 CE LYS A 15 36.637 28.666 31.308 1.00 10.00 C ATOM 184 NZ LYS A 15 37.379 29.288 30.203 1.00 10.00 N ATOM 0 H LYS A 15 35.384 23.808 32.103 1.00 10.00 H new ATOM 0 HA LYS A 15 34.024 25.531 33.848 1.00 10.00 H new ATOM 0 HB2 LYS A 15 34.704 25.989 30.975 1.00 10.00 H new ATOM 0 HB3 LYS A 15 34.308 27.199 32.179 1.00 10.00 H new ATOM 0 HG2 LYS A 15 36.447 26.784 33.417 1.00 10.00 H new ATOM 0 HG3 LYS A 15 36.804 25.370 32.445 1.00 10.00 H new ATOM 0 HD2 LYS A 15 38.158 27.230 31.749 1.00 10.00 H new ATOM 0 HD3 LYS A 15 37.064 26.747 30.467 1.00 10.00 H new ATOM 0 HE2 LYS A 15 35.565 28.698 31.111 1.00 10.00 H new ATOM 0 HE3 LYS A 15 36.807 29.213 32.235 1.00 10.00 H new ATOM 0 HZ1 LYS A 15 37.071 30.275 30.090 1.00 10.00 H new ATOM 0 HZ2 LYS A 15 38.397 29.265 30.412 1.00 10.00 H new ATOM 0 HZ3 LYS A 15 37.194 28.765 29.323 1.00 10.00 H new ATOM 198 N ASP A 16 32.302 24.435 31.239 1.00 10.00 N ATOM 199 CA ASP A 16 30.994 24.126 30.658 1.00 10.00 C ATOM 200 C ASP A 16 30.112 23.173 31.493 1.00 10.00 C ATOM 201 O ASP A 16 28.913 23.073 31.229 1.00 10.00 O ATOM 202 CB ASP A 16 31.134 23.655 29.215 1.00 10.00 C ATOM 203 CG ASP A 16 29.849 23.751 28.486 1.00 10.00 C ATOM 204 OD1 ASP A 16 29.028 24.649 28.655 1.00 10.00 O ATOM 205 OD2 ASP A 16 29.478 22.821 27.732 1.00 10.00 O ATOM 0 H ASP A 16 33.069 24.059 30.682 1.00 10.00 H new ATOM 0 HA ASP A 16 30.448 25.069 30.670 1.00 10.00 H new ATOM 0 HB2 ASP A 16 31.888 24.256 28.706 1.00 10.00 H new ATOM 0 HB3 ASP A 16 31.486 22.623 29.200 1.00 10.00 H new ATOM 210 N LEU A 17 30.681 22.415 32.446 1.00 10.00 N ATOM 211 CA LEU A 17 29.982 21.583 33.436 1.00 10.00 C ATOM 212 C LEU A 17 29.676 22.310 34.778 1.00 10.00 C ATOM 213 O LEU A 17 28.613 22.175 35.283 1.00 10.00 O ATOM 214 CB LEU A 17 30.683 20.217 33.645 1.00 10.00 C ATOM 215 CG LEU A 17 30.637 19.379 32.397 1.00 10.00 C ATOM 216 CD1 LEU A 17 31.727 18.313 32.468 1.00 10.00 C ATOM 217 CD2 LEU A 17 29.192 18.756 32.220 1.00 10.00 C ATOM 0 H LEU A 17 31.694 22.365 32.550 1.00 10.00 H new ATOM 0 HA LEU A 17 29.003 21.380 33.003 1.00 10.00 H new ATOM 0 HB2 LEU A 17 31.720 20.380 33.937 1.00 10.00 H new ATOM 0 HB3 LEU A 17 30.202 19.681 34.463 1.00 10.00 H new ATOM 0 HG LEU A 17 30.830 19.994 31.518 1.00 10.00 H new ATOM 0 HD11 LEU A 17 31.698 17.702 31.566 1.00 10.00 H new ATOM 0 HD12 LEU A 17 32.702 18.794 32.550 1.00 10.00 H new ATOM 0 HD13 LEU A 17 31.561 17.680 33.340 1.00 10.00 H new ATOM 0 HD21 LEU A 17 29.165 18.150 31.314 1.00 10.00 H new ATOM 0 HD22 LEU A 17 28.957 18.131 33.082 1.00 10.00 H new ATOM 0 HD23 LEU A 17 28.457 19.557 32.142 1.00 10.00 H new ATOM 229 N LYS A 18 30.565 23.225 35.184 1.00 10.00 N ATOM 230 CA LYS A 18 30.109 24.260 36.154 1.00 10.00 C ATOM 231 C LYS A 18 28.954 25.027 35.617 1.00 10.00 C ATOM 232 O LYS A 18 28.051 25.230 36.365 1.00 10.00 O ATOM 233 CB LYS A 18 31.352 25.138 36.502 1.00 10.00 C ATOM 234 CG LYS A 18 32.136 24.559 37.703 1.00 10.00 C ATOM 235 CD LYS A 18 33.108 23.418 37.337 1.00 10.00 C ATOM 236 CE LYS A 18 33.954 23.022 38.503 1.00 10.00 C ATOM 237 NZ LYS A 18 34.985 24.087 38.887 1.00 10.00 N ATOM 0 H LYS A 18 31.540 23.283 34.889 1.00 10.00 H new ATOM 0 HA LYS A 18 29.730 23.813 37.073 1.00 10.00 H new ATOM 0 HB2 LYS A 18 32.008 25.202 35.634 1.00 10.00 H new ATOM 0 HB3 LYS A 18 31.029 26.153 36.732 1.00 10.00 H new ATOM 0 HG2 LYS A 18 32.700 25.363 38.175 1.00 10.00 H new ATOM 0 HG3 LYS A 18 31.425 24.191 38.443 1.00 10.00 H new ATOM 0 HD2 LYS A 18 32.542 22.555 36.988 1.00 10.00 H new ATOM 0 HD3 LYS A 18 33.748 23.734 36.513 1.00 10.00 H new ATOM 0 HE2 LYS A 18 33.311 22.822 39.360 1.00 10.00 H new ATOM 0 HE3 LYS A 18 34.472 22.092 38.269 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 35.648 23.693 39.584 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 35.509 24.384 38.039 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 34.498 24.909 39.299 1.00 10.00 H new ATOM 251 N GLU A 19 28.899 25.278 34.310 1.00 10.00 N ATOM 252 CA GLU A 19 27.688 25.935 33.839 1.00 10.00 C ATOM 253 C GLU A 19 26.445 24.982 33.982 1.00 10.00 C ATOM 254 O GLU A 19 25.365 25.287 34.438 1.00 10.00 O ATOM 255 CB GLU A 19 27.826 26.275 32.362 1.00 10.00 C ATOM 256 CG GLU A 19 27.046 27.600 32.220 1.00 10.00 C ATOM 257 CD GLU A 19 26.872 28.161 30.803 1.00 10.00 C ATOM 258 OE1 GLU A 19 26.723 27.474 29.804 1.00 10.00 O ATOM 259 OE2 GLU A 19 26.775 29.420 30.684 1.00 10.00 O ATOM 0 H GLU A 19 29.611 25.059 33.613 1.00 10.00 H new ATOM 0 HA GLU A 19 27.546 26.834 34.439 1.00 10.00 H new ATOM 0 HB2 GLU A 19 28.871 26.392 32.073 1.00 10.00 H new ATOM 0 HB3 GLU A 19 27.406 25.493 31.730 1.00 10.00 H new ATOM 0 HG2 GLU A 19 26.055 27.457 32.651 1.00 10.00 H new ATOM 0 HG3 GLU A 19 27.550 28.355 32.823 1.00 10.00 H new ATOM 266 N LYS A 20 26.705 23.699 33.658 1.00 10.00 N ATOM 267 CA LYS A 20 25.642 22.661 33.628 1.00 10.00 C ATOM 268 C LYS A 20 25.180 22.258 35.079 1.00 10.00 C ATOM 269 O LYS A 20 24.083 21.725 35.169 1.00 10.00 O ATOM 270 CB LYS A 20 25.995 21.508 32.703 1.00 10.00 C ATOM 271 CG LYS A 20 25.678 21.819 31.190 1.00 10.00 C ATOM 272 CD LYS A 20 24.207 22.104 30.877 1.00 10.00 C ATOM 273 CE LYS A 20 23.929 21.835 29.351 1.00 10.00 C ATOM 274 NZ LYS A 20 24.858 22.588 28.538 1.00 10.00 N ATOM 0 H LYS A 20 27.633 23.354 33.414 1.00 10.00 H new ATOM 0 HA LYS A 20 24.750 23.092 33.174 1.00 10.00 H new ATOM 0 HB2 LYS A 20 27.055 21.276 32.807 1.00 10.00 H new ATOM 0 HB3 LYS A 20 25.443 20.620 33.010 1.00 10.00 H new ATOM 0 HG2 LYS A 20 26.272 22.679 30.880 1.00 10.00 H new ATOM 0 HG3 LYS A 20 26.004 20.972 30.586 1.00 10.00 H new ATOM 0 HD2 LYS A 20 23.565 21.472 31.491 1.00 10.00 H new ATOM 0 HD3 LYS A 20 23.966 23.138 31.124 1.00 10.00 H new ATOM 0 HE2 LYS A 20 24.026 20.771 29.137 1.00 10.00 H new ATOM 0 HE3 LYS A 20 22.906 22.117 29.104 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 24.502 22.641 27.562 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 24.956 23.549 28.923 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 25.785 22.117 28.543 1.00 10.00 H new ATOM 288 N LYS A 21 25.969 22.549 36.091 1.00 10.00 N ATOM 289 CA LYS A 21 25.809 22.523 37.562 1.00 10.00 C ATOM 290 C LYS A 21 25.145 23.836 38.231 1.00 10.00 C ATOM 291 O LYS A 21 24.461 23.722 39.245 1.00 10.00 O ATOM 292 CB LYS A 21 27.186 22.420 38.339 1.00 10.00 C ATOM 293 CG LYS A 21 27.848 21.029 38.300 1.00 10.00 C ATOM 294 CD LYS A 21 26.938 19.948 38.887 1.00 10.00 C ATOM 295 CE LYS A 21 27.741 18.653 38.904 1.00 10.00 C ATOM 296 NZ LYS A 21 27.094 17.606 39.769 1.00 10.00 N ATOM 0 H LYS A 21 26.913 22.869 35.875 1.00 10.00 H new ATOM 0 HA LYS A 21 25.163 21.651 37.664 1.00 10.00 H new ATOM 0 HB2 LYS A 21 27.879 23.149 37.919 1.00 10.00 H new ATOM 0 HB3 LYS A 21 27.022 22.699 39.380 1.00 10.00 H new ATOM 0 HG2 LYS A 21 28.097 20.774 37.270 1.00 10.00 H new ATOM 0 HG3 LYS A 21 28.785 21.057 38.857 1.00 10.00 H new ATOM 0 HD2 LYS A 21 26.619 20.217 39.894 1.00 10.00 H new ATOM 0 HD3 LYS A 21 26.036 19.835 38.286 1.00 10.00 H new ATOM 0 HE2 LYS A 21 27.840 18.274 37.887 1.00 10.00 H new ATOM 0 HE3 LYS A 21 28.748 18.855 39.269 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 27.670 16.740 39.755 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 27.022 17.958 40.745 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 26.143 17.395 39.406 1.00 10.00 H new ATOM 310 N GLU A 22 25.315 24.953 37.562 1.00 10.00 N ATOM 311 CA GLU A 22 24.803 26.241 38.037 1.00 10.00 C ATOM 312 C GLU A 22 23.440 26.444 37.523 1.00 10.00 C ATOM 313 O GLU A 22 22.574 26.804 38.293 1.00 10.00 O ATOM 314 CB GLU A 22 25.814 27.410 37.753 1.00 10.00 C ATOM 315 CG GLU A 22 25.331 28.783 38.256 1.00 10.00 C ATOM 316 CD GLU A 22 26.408 29.912 38.107 1.00 10.00 C ATOM 317 OE1 GLU A 22 26.723 30.119 36.901 1.00 10.00 O ATOM 318 OE2 GLU A 22 26.698 30.753 39.024 1.00 10.00 O ATOM 0 H GLU A 22 25.811 25.006 36.672 1.00 10.00 H new ATOM 0 HA GLU A 22 24.719 26.237 39.124 1.00 10.00 H new ATOM 0 HB2 GLU A 22 26.768 27.176 38.225 1.00 10.00 H new ATOM 0 HB3 GLU A 22 25.995 27.469 36.680 1.00 10.00 H new ATOM 0 HG2 GLU A 22 24.436 29.070 37.705 1.00 10.00 H new ATOM 0 HG3 GLU A 22 25.046 28.698 39.305 1.00 10.00 H new ATOM 325 N VAL A 23 23.168 26.217 36.259 1.00 10.00 N ATOM 326 CA VAL A 23 21.858 26.091 35.662 1.00 10.00 C ATOM 327 C VAL A 23 21.135 24.849 36.322 1.00 10.00 C ATOM 328 O VAL A 23 19.892 24.930 36.392 1.00 10.00 O ATOM 329 CB VAL A 23 21.981 25.761 34.158 1.00 10.00 C ATOM 330 CG1 VAL A 23 22.400 24.379 33.752 1.00 10.00 C ATOM 331 CG2 VAL A 23 20.701 26.248 33.489 1.00 10.00 C ATOM 0 H VAL A 23 23.912 26.107 35.570 1.00 10.00 H new ATOM 0 HA VAL A 23 21.316 27.025 35.809 1.00 10.00 H new ATOM 0 HB VAL A 23 22.860 26.294 33.795 1.00 10.00 H new ATOM 0 HG11 VAL A 23 22.437 24.315 32.665 1.00 10.00 H new ATOM 0 HG12 VAL A 23 23.387 24.163 34.162 1.00 10.00 H new ATOM 0 HG13 VAL A 23 21.681 23.654 34.134 1.00 10.00 H new ATOM 0 HG21 VAL A 23 20.745 26.034 32.421 1.00 10.00 H new ATOM 0 HG22 VAL A 23 19.844 25.736 33.927 1.00 10.00 H new ATOM 0 HG23 VAL A 23 20.598 27.322 33.640 1.00 10.00 H new ATOM 341 N VAL A 24 21.840 23.765 36.741 1.00 10.00 N ATOM 342 CA VAL A 24 21.112 22.745 37.564 1.00 10.00 C ATOM 343 C VAL A 24 20.875 23.101 39.059 1.00 10.00 C ATOM 344 O VAL A 24 19.909 22.604 39.624 1.00 10.00 O ATOM 345 CB VAL A 24 21.588 21.289 37.186 1.00 10.00 C ATOM 346 CG1 VAL A 24 22.343 20.644 38.325 1.00 10.00 C ATOM 347 CG2 VAL A 24 20.388 20.436 36.976 1.00 10.00 C ATOM 0 H VAL A 24 22.824 23.576 36.549 1.00 10.00 H new ATOM 0 HA VAL A 24 20.061 22.767 37.278 1.00 10.00 H new ATOM 0 HB VAL A 24 22.220 21.370 36.302 1.00 10.00 H new ATOM 0 HG11 VAL A 24 22.657 19.642 38.032 1.00 10.00 H new ATOM 0 HG12 VAL A 24 23.221 21.244 38.565 1.00 10.00 H new ATOM 0 HG13 VAL A 24 21.696 20.580 39.200 1.00 10.00 H new ATOM 0 HG21 VAL A 24 20.701 19.425 36.714 1.00 10.00 H new ATOM 0 HG22 VAL A 24 19.798 20.407 37.892 1.00 10.00 H new ATOM 0 HG23 VAL A 24 19.784 20.850 36.168 1.00 10.00 H new ATOM 357 N GLU A 25 21.663 23.986 39.651 1.00 10.00 N ATOM 358 CA GLU A 25 21.398 24.545 40.962 1.00 10.00 C ATOM 359 C GLU A 25 20.298 25.626 41.052 1.00 10.00 C ATOM 360 O GLU A 25 19.620 25.813 42.082 1.00 10.00 O ATOM 361 CB GLU A 25 22.787 24.866 41.612 1.00 10.00 C ATOM 362 CG GLU A 25 22.645 25.234 43.060 1.00 10.00 C ATOM 363 CD GLU A 25 24.037 25.403 43.792 1.00 10.00 C ATOM 364 OE1 GLU A 25 24.526 26.544 43.726 1.00 10.00 O ATOM 365 OE2 GLU A 25 24.601 24.449 44.419 1.00 10.00 O ATOM 0 H GLU A 25 22.519 24.340 39.224 1.00 10.00 H new ATOM 0 HA GLU A 25 20.888 23.804 41.578 1.00 10.00 H new ATOM 0 HB2 GLU A 25 23.443 24.000 41.518 1.00 10.00 H new ATOM 0 HB3 GLU A 25 23.262 25.685 41.072 1.00 10.00 H new ATOM 0 HG2 GLU A 25 22.083 26.165 43.140 1.00 10.00 H new ATOM 0 HG3 GLU A 25 22.063 24.466 43.569 1.00 10.00 H new ATOM 372 N GLU A 26 20.082 26.187 39.847 1.00 10.00 N ATOM 373 CA GLU A 26 18.883 27.036 39.662 1.00 10.00 C ATOM 374 C GLU A 26 17.636 26.190 39.268 1.00 10.00 C ATOM 375 O GLU A 26 16.537 26.450 39.730 1.00 10.00 O ATOM 376 CB GLU A 26 19.282 27.950 38.548 1.00 10.00 C ATOM 377 CG GLU A 26 18.127 28.969 38.302 1.00 10.00 C ATOM 378 CD GLU A 26 18.537 30.251 37.598 1.00 10.00 C ATOM 379 OE1 GLU A 26 19.036 31.161 38.366 1.00 10.00 O ATOM 380 OE2 GLU A 26 18.126 30.519 36.426 1.00 10.00 O ATOM 0 H GLU A 26 20.681 26.080 39.028 1.00 10.00 H new ATOM 0 HA GLU A 26 18.595 27.563 40.572 1.00 10.00 H new ATOM 0 HB2 GLU A 26 20.203 28.476 38.801 1.00 10.00 H new ATOM 0 HB3 GLU A 26 19.481 27.378 37.642 1.00 10.00 H new ATOM 0 HG2 GLU A 26 17.352 28.480 37.711 1.00 10.00 H new ATOM 0 HG3 GLU A 26 17.681 29.227 39.262 1.00 10.00 H new ATOM 387 N ALA A 27 17.795 25.071 38.563 1.00 10.00 N ATOM 388 CA ALA A 27 16.736 24.107 38.219 1.00 10.00 C ATOM 389 C ALA A 27 16.019 23.486 39.471 1.00 10.00 C ATOM 390 O ALA A 27 14.806 23.233 39.439 1.00 10.00 O ATOM 391 CB ALA A 27 17.214 23.064 37.174 1.00 10.00 C ATOM 0 H ALA A 27 18.705 24.794 38.196 1.00 10.00 H new ATOM 0 HA ALA A 27 15.948 24.677 37.726 1.00 10.00 H new ATOM 0 HB1 ALA A 27 16.401 22.374 36.951 1.00 10.00 H new ATOM 0 HB2 ALA A 27 17.516 23.576 36.261 1.00 10.00 H new ATOM 0 HB3 ALA A 27 18.061 22.508 37.576 1.00 10.00 H new