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 -26:sc= 1.3 USER MOD Single : A 10 SER OG : rot 88:sc= 1.24 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+ -169:sc= -0.0131 (180deg=-0.105) USER MOD Single : A 20 LYS NZ :NH3+ -179:sc= 1.13 (180deg=1.13) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 3 32.323 17.632 18.842 1.00 10.00 N ATOM 19 CA ASP A 3 33.038 18.769 19.513 1.00 10.00 C ATOM 20 C ASP A 3 33.694 19.790 18.560 1.00 10.00 C ATOM 21 O ASP A 3 33.870 20.952 19.008 1.00 10.00 O ATOM 22 CB ASP A 3 34.011 18.254 20.558 1.00 10.00 C ATOM 23 CG ASP A 3 34.530 19.423 21.379 1.00 10.00 C ATOM 24 OD1 ASP A 3 33.761 20.319 21.819 1.00 10.00 O ATOM 25 OD2 ASP A 3 35.730 19.448 21.585 1.00 10.00 O ATOM 0 HA ASP A 3 32.257 19.344 20.011 1.00 10.00 H new ATOM 0 HB2 ASP A 3 33.517 17.530 21.206 1.00 10.00 H new ATOM 0 HB3 ASP A 3 34.840 17.736 20.076 1.00 10.00 H new ATOM 30 N ALA A 4 33.936 19.490 17.314 1.00 10.00 N ATOM 31 CA ALA A 4 34.091 20.571 16.296 1.00 10.00 C ATOM 32 C ALA A 4 32.815 21.393 16.205 1.00 10.00 C ATOM 33 O ALA A 4 32.910 22.620 16.028 1.00 10.00 O ATOM 34 CB ALA A 4 34.531 19.911 14.980 1.00 10.00 C ATOM 0 H ALA A 4 34.034 18.541 16.954 1.00 10.00 H new ATOM 0 HA ALA A 4 34.862 21.291 16.571 1.00 10.00 H new ATOM 0 HB1 ALA A 4 34.654 20.675 14.213 1.00 10.00 H new ATOM 0 HB2 ALA A 4 35.478 19.394 15.131 1.00 10.00 H new ATOM 0 HB3 ALA A 4 33.774 19.195 14.661 1.00 10.00 H new ATOM 40 N ALA A 5 31.641 20.804 16.140 1.00 10.00 N ATOM 41 CA ALA A 5 30.328 21.549 16.117 1.00 10.00 C ATOM 42 C ALA A 5 30.153 22.443 17.359 1.00 10.00 C ATOM 43 O ALA A 5 29.227 23.269 17.345 1.00 10.00 O ATOM 44 CB ALA A 5 29.309 20.475 16.112 1.00 10.00 C ATOM 0 H ALA A 5 31.532 19.791 16.100 1.00 10.00 H new ATOM 0 HA ALA A 5 30.257 22.218 15.259 1.00 10.00 H new ATOM 0 HB1 ALA A 5 28.313 20.918 16.096 1.00 10.00 H new ATOM 0 HB2 ALA A 5 29.443 19.851 15.229 1.00 10.00 H new ATOM 0 HB3 ALA A 5 29.420 19.864 17.008 1.00 10.00 H new ATOM 50 N VAL A 6 30.987 22.302 18.391 1.00 10.00 N ATOM 51 CA VAL A 6 31.081 23.156 19.620 1.00 10.00 C ATOM 52 C VAL A 6 32.429 23.939 19.790 1.00 10.00 C ATOM 53 O VAL A 6 32.687 24.526 20.831 1.00 10.00 O ATOM 54 CB VAL A 6 30.771 22.366 20.929 1.00 10.00 C ATOM 55 CG1 VAL A 6 30.013 23.256 21.891 1.00 10.00 C ATOM 56 CG2 VAL A 6 29.826 21.172 20.703 1.00 10.00 C ATOM 0 H VAL A 6 31.668 21.543 18.411 1.00 10.00 H new ATOM 0 HA VAL A 6 30.305 23.904 19.454 1.00 10.00 H new ATOM 0 HB VAL A 6 31.739 22.029 21.300 1.00 10.00 H new ATOM 0 HG11 VAL A 6 29.797 22.703 22.805 1.00 10.00 H new ATOM 0 HG12 VAL A 6 30.617 24.131 22.130 1.00 10.00 H new ATOM 0 HG13 VAL A 6 29.078 23.576 21.431 1.00 10.00 H new ATOM 0 HG21 VAL A 6 29.649 20.663 21.651 1.00 10.00 H new ATOM 0 HG22 VAL A 6 28.878 21.529 20.301 1.00 10.00 H new ATOM 0 HG23 VAL A 6 30.281 20.477 19.997 1.00 10.00 H new ATOM 66 N ASP A 7 33.160 24.139 18.700 1.00 10.00 N ATOM 67 CA ASP A 7 34.427 24.897 18.467 1.00 10.00 C ATOM 68 C ASP A 7 35.618 24.444 19.406 1.00 10.00 C ATOM 69 O ASP A 7 36.280 25.189 20.100 1.00 10.00 O ATOM 70 CB ASP A 7 34.204 26.472 18.594 1.00 10.00 C ATOM 71 CG ASP A 7 35.404 27.217 17.921 1.00 10.00 C ATOM 72 OD1 ASP A 7 35.841 26.778 16.874 1.00 10.00 O ATOM 73 OD2 ASP A 7 35.834 28.266 18.404 1.00 10.00 O ATOM 0 H ASP A 7 32.850 23.721 17.823 1.00 10.00 H new ATOM 0 HA ASP A 7 34.717 24.658 17.444 1.00 10.00 H new ATOM 0 HB2 ASP A 7 33.268 26.759 18.115 1.00 10.00 H new ATOM 0 HB3 ASP A 7 34.126 26.757 19.643 1.00 10.00 H new ATOM 78 N THR A 8 35.749 23.127 19.393 1.00 10.00 N ATOM 79 CA THR A 8 36.820 22.336 20.125 1.00 10.00 C ATOM 80 C THR A 8 36.764 22.562 21.583 1.00 10.00 C ATOM 81 O THR A 8 37.736 22.837 22.260 1.00 10.00 O ATOM 82 CB THR A 8 38.178 22.414 19.396 1.00 10.00 C ATOM 83 OG1 THR A 8 38.034 22.055 18.047 1.00 10.00 O ATOM 84 CG2 THR A 8 39.235 21.366 19.946 1.00 10.00 C ATOM 0 H THR A 8 35.112 22.528 18.868 1.00 10.00 H new ATOM 0 HA THR A 8 36.617 21.266 20.076 1.00 10.00 H new ATOM 0 HB THR A 8 38.514 23.440 19.547 1.00 10.00 H new ATOM 0 HG1 THR A 8 38.904 22.111 17.599 1.00 10.00 H new ATOM 0 HG21 THR A 8 40.170 21.469 19.395 1.00 10.00 H new ATOM 0 HG22 THR A 8 39.416 21.553 21.005 1.00 10.00 H new ATOM 0 HG23 THR A 8 38.847 20.356 19.817 1.00 10.00 H new ATOM 92 N SER A 9 35.656 22.466 22.180 1.00 10.00 N ATOM 93 CA SER A 9 35.420 22.733 23.599 1.00 10.00 C ATOM 94 C SER A 9 35.918 21.774 24.607 1.00 10.00 C ATOM 95 O SER A 9 35.856 22.110 25.792 1.00 10.00 O ATOM 96 CB SER A 9 33.957 23.022 23.816 1.00 10.00 C ATOM 97 OG SER A 9 33.166 21.787 23.855 1.00 10.00 O ATOM 0 H SER A 9 34.807 22.182 21.692 1.00 10.00 H new ATOM 0 HA SER A 9 36.057 23.596 23.793 1.00 10.00 H new ATOM 0 HB2 SER A 9 33.827 23.568 24.750 1.00 10.00 H new ATOM 0 HB3 SER A 9 33.590 23.666 23.017 1.00 10.00 H new ATOM 0 HG SER A 9 33.627 21.087 23.348 1.00 10.00 H new ATOM 103 N SER A 10 36.486 20.657 24.094 1.00 10.00 N ATOM 104 CA SER A 10 37.064 19.665 24.951 1.00 10.00 C ATOM 105 C SER A 10 38.124 20.158 25.880 1.00 10.00 C ATOM 106 O SER A 10 38.442 19.557 26.891 1.00 10.00 O ATOM 107 CB SER A 10 37.777 18.600 24.051 1.00 10.00 C ATOM 108 OG SER A 10 36.774 17.853 23.395 1.00 10.00 O ATOM 0 H SER A 10 36.543 20.446 23.098 1.00 10.00 H new ATOM 0 HA SER A 10 36.234 19.292 25.551 1.00 10.00 H new ATOM 0 HB2 SER A 10 38.428 19.087 23.325 1.00 10.00 H new ATOM 0 HB3 SER A 10 38.406 17.947 24.656 1.00 10.00 H new ATOM 0 HG SER A 10 36.529 18.299 22.557 1.00 10.00 H new ATOM 114 N GLU A 11 38.770 21.251 25.666 1.00 10.00 N ATOM 115 CA GLU A 11 39.716 21.961 26.639 1.00 10.00 C ATOM 116 C GLU A 11 38.987 22.590 27.841 1.00 10.00 C ATOM 117 O GLU A 11 39.392 22.403 28.946 1.00 10.00 O ATOM 118 CB GLU A 11 40.534 23.141 25.960 1.00 10.00 C ATOM 119 CG GLU A 11 41.387 22.467 24.881 1.00 10.00 C ATOM 120 CD GLU A 11 42.471 23.341 24.466 1.00 10.00 C ATOM 121 OE1 GLU A 11 43.434 23.420 25.285 1.00 10.00 O ATOM 122 OE2 GLU A 11 42.512 23.695 23.289 1.00 10.00 O ATOM 0 H GLU A 11 38.691 21.749 24.779 1.00 10.00 H new ATOM 0 HA GLU A 11 40.384 21.164 26.966 1.00 10.00 H new ATOM 0 HB2 GLU A 11 39.866 23.885 25.526 1.00 10.00 H new ATOM 0 HB3 GLU A 11 41.157 23.659 26.689 1.00 10.00 H new ATOM 0 HG2 GLU A 11 41.794 21.531 25.263 1.00 10.00 H new ATOM 0 HG3 GLU A 11 40.765 22.217 24.022 1.00 10.00 H new ATOM 129 N ILE A 12 37.979 23.332 27.521 1.00 10.00 N ATOM 130 CA ILE A 12 37.202 24.120 28.511 1.00 10.00 C ATOM 131 C ILE A 12 36.101 23.327 29.219 1.00 10.00 C ATOM 132 O ILE A 12 35.550 23.766 30.216 1.00 10.00 O ATOM 133 CB ILE A 12 36.728 25.449 27.840 1.00 10.00 C ATOM 134 CG1 ILE A 12 35.654 25.069 26.747 1.00 10.00 C ATOM 135 CG2 ILE A 12 37.877 26.237 27.128 1.00 10.00 C ATOM 136 CD1 ILE A 12 34.639 26.239 26.473 1.00 10.00 C ATOM 0 H ILE A 12 37.642 23.432 26.563 1.00 10.00 H new ATOM 0 HA ILE A 12 37.857 24.380 29.342 1.00 10.00 H new ATOM 0 HB ILE A 12 36.336 26.093 28.627 1.00 10.00 H new ATOM 0 HG12 ILE A 12 36.161 24.807 25.819 1.00 10.00 H new ATOM 0 HG13 ILE A 12 35.106 24.185 27.072 1.00 10.00 H new ATOM 0 HG21 ILE A 12 37.474 27.148 26.685 1.00 10.00 H new ATOM 0 HG22 ILE A 12 38.645 26.497 27.856 1.00 10.00 H new ATOM 0 HG23 ILE A 12 38.314 25.616 26.346 1.00 10.00 H new ATOM 0 HD11 ILE A 12 33.921 25.928 25.714 1.00 10.00 H new ATOM 0 HD12 ILE A 12 34.110 26.485 27.394 1.00 10.00 H new ATOM 0 HD13 ILE A 12 35.182 27.116 26.121 1.00 10.00 H new ATOM 148 N THR A 13 35.727 22.155 28.744 1.00 10.00 N ATOM 149 CA THR A 13 34.514 21.416 29.165 1.00 10.00 C ATOM 150 C THR A 13 34.195 21.324 30.696 1.00 10.00 C ATOM 151 O THR A 13 33.038 21.352 30.982 1.00 10.00 O ATOM 152 CB THR A 13 34.572 20.004 28.541 1.00 10.00 C ATOM 153 OG1 THR A 13 33.389 19.266 28.845 1.00 10.00 O ATOM 154 CG2 THR A 13 35.787 19.199 29.058 1.00 10.00 C ATOM 0 H THR A 13 36.264 21.661 28.031 1.00 10.00 H new ATOM 0 HA THR A 13 33.684 22.019 28.797 1.00 10.00 H new ATOM 0 HB THR A 13 34.664 20.144 27.464 1.00 10.00 H new ATOM 0 HG1 THR A 13 33.446 18.376 28.439 1.00 10.00 H new ATOM 0 HG21 THR A 13 35.793 18.212 28.596 1.00 10.00 H new ATOM 0 HG22 THR A 13 36.707 19.725 28.802 1.00 10.00 H new ATOM 0 HG23 THR A 13 35.719 19.092 30.141 1.00 10.00 H new ATOM 162 N THR A 14 35.171 21.438 31.602 1.00 10.00 N ATOM 163 CA THR A 14 34.871 21.550 33.077 1.00 10.00 C ATOM 164 C THR A 14 34.187 22.882 33.386 1.00 10.00 C ATOM 165 O THR A 14 33.192 22.919 34.143 1.00 10.00 O ATOM 166 CB THR A 14 36.201 21.494 33.918 1.00 10.00 C ATOM 167 OG1 THR A 14 36.960 20.361 33.764 1.00 10.00 O ATOM 168 CG2 THR A 14 35.798 21.535 35.383 1.00 10.00 C ATOM 0 H THR A 14 36.164 21.457 31.371 1.00 10.00 H new ATOM 0 HA THR A 14 34.219 20.717 33.341 1.00 10.00 H new ATOM 0 HB THR A 14 36.810 22.329 33.571 1.00 10.00 H new ATOM 0 HG1 THR A 14 37.761 20.425 34.325 1.00 10.00 H new ATOM 0 HG21 THR A 14 36.691 21.498 36.007 1.00 10.00 H new ATOM 0 HG22 THR A 14 35.252 22.457 35.585 1.00 10.00 H new ATOM 0 HG23 THR A 14 35.162 20.680 35.609 1.00 10.00 H new ATOM 176 N LYS A 15 34.649 24.015 32.813 1.00 10.00 N ATOM 177 CA LYS A 15 34.023 25.397 32.813 1.00 10.00 C ATOM 178 C LYS A 15 32.623 25.352 32.176 1.00 10.00 C ATOM 179 O LYS A 15 31.759 26.135 32.488 1.00 10.00 O ATOM 180 CB LYS A 15 34.873 26.400 32.105 1.00 10.00 C ATOM 181 CG LYS A 15 36.378 26.483 32.481 1.00 10.00 C ATOM 182 CD LYS A 15 37.149 27.718 31.773 1.00 10.00 C ATOM 183 CE LYS A 15 38.432 28.093 32.458 1.00 10.00 C ATOM 184 NZ LYS A 15 39.167 29.081 31.664 1.00 10.00 N ATOM 0 H LYS A 15 35.529 24.010 32.297 1.00 10.00 H new ATOM 0 HA LYS A 15 33.939 25.711 33.853 1.00 10.00 H new ATOM 0 HB2 LYS A 15 34.808 26.197 31.036 1.00 10.00 H new ATOM 0 HB3 LYS A 15 34.434 27.384 32.270 1.00 10.00 H new ATOM 0 HG2 LYS A 15 36.470 26.579 33.563 1.00 10.00 H new ATOM 0 HG3 LYS A 15 36.867 25.550 32.201 1.00 10.00 H new ATOM 0 HD2 LYS A 15 37.362 27.457 30.736 1.00 10.00 H new ATOM 0 HD3 LYS A 15 36.489 28.585 31.754 1.00 10.00 H new ATOM 0 HE2 LYS A 15 38.218 28.499 33.447 1.00 10.00 H new ATOM 0 HE3 LYS A 15 39.047 27.205 32.604 1.00 10.00 H new ATOM 0 HZ1 LYS A 15 40.051 29.330 32.151 1.00 10.00 H new ATOM 0 HZ2 LYS A 15 39.387 28.681 30.730 1.00 10.00 H new ATOM 0 HZ3 LYS A 15 38.585 29.935 31.547 1.00 10.00 H new ATOM 198 N ASP A 16 32.379 24.401 31.192 1.00 10.00 N ATOM 199 CA ASP A 16 31.015 24.137 30.648 1.00 10.00 C ATOM 200 C ASP A 16 30.234 23.341 31.676 1.00 10.00 C ATOM 201 O ASP A 16 29.057 23.486 31.755 1.00 10.00 O ATOM 202 CB ASP A 16 30.988 23.481 29.277 1.00 10.00 C ATOM 203 CG ASP A 16 29.594 23.161 28.763 1.00 10.00 C ATOM 204 OD1 ASP A 16 28.912 24.083 28.282 1.00 10.00 O ATOM 205 OD2 ASP A 16 29.093 22.011 28.831 1.00 10.00 O ATOM 0 H ASP A 16 33.109 23.822 30.777 1.00 10.00 H new ATOM 0 HA ASP A 16 30.542 25.103 30.474 1.00 10.00 H new ATOM 0 HB2 ASP A 16 31.484 24.139 28.563 1.00 10.00 H new ATOM 0 HB3 ASP A 16 31.568 22.559 29.317 1.00 10.00 H new ATOM 210 N LEU A 17 30.821 22.493 32.522 1.00 10.00 N ATOM 211 CA LEU A 17 30.014 21.561 33.374 1.00 10.00 C ATOM 212 C LEU A 17 29.695 22.282 34.699 1.00 10.00 C ATOM 213 O LEU A 17 28.714 21.825 35.252 1.00 10.00 O ATOM 214 CB LEU A 17 30.714 20.166 33.404 1.00 10.00 C ATOM 215 CG LEU A 17 30.624 19.542 31.969 1.00 10.00 C ATOM 216 CD1 LEU A 17 31.598 18.438 31.766 1.00 10.00 C ATOM 217 CD2 LEU A 17 29.241 18.888 31.937 1.00 10.00 C ATOM 0 H LEU A 17 31.830 22.417 32.649 1.00 10.00 H new ATOM 0 HA LEU A 17 29.028 21.313 32.982 1.00 10.00 H new ATOM 0 HB2 LEU A 17 31.755 20.270 33.709 1.00 10.00 H new ATOM 0 HB3 LEU A 17 30.232 19.514 34.133 1.00 10.00 H new ATOM 0 HG LEU A 17 30.813 20.308 31.217 1.00 10.00 H new ATOM 0 HD11 LEU A 17 31.493 18.041 30.756 1.00 10.00 H new ATOM 0 HD12 LEU A 17 32.611 18.816 31.904 1.00 10.00 H new ATOM 0 HD13 LEU A 17 31.405 17.645 32.489 1.00 10.00 H new ATOM 0 HD21 LEU A 17 29.082 18.420 30.965 1.00 10.00 H new ATOM 0 HD22 LEU A 17 29.178 18.131 32.719 1.00 10.00 H new ATOM 0 HD23 LEU A 17 28.476 19.646 32.104 1.00 10.00 H new ATOM 229 N LYS A 18 30.452 23.311 35.133 1.00 10.00 N ATOM 230 CA LYS A 18 30.041 24.176 36.222 1.00 10.00 C ATOM 231 C LYS A 18 28.883 24.994 35.807 1.00 10.00 C ATOM 232 O LYS A 18 27.984 25.145 36.607 1.00 10.00 O ATOM 233 CB LYS A 18 31.221 25.054 36.769 1.00 10.00 C ATOM 234 CG LYS A 18 32.067 24.403 37.905 1.00 10.00 C ATOM 235 CD LYS A 18 32.903 23.226 37.368 1.00 10.00 C ATOM 236 CE LYS A 18 33.574 22.514 38.566 1.00 10.00 C ATOM 237 NZ LYS A 18 34.185 23.413 39.607 1.00 10.00 N ATOM 0 H LYS A 18 31.358 23.552 34.731 1.00 10.00 H new ATOM 0 HA LYS A 18 29.734 23.545 37.056 1.00 10.00 H new ATOM 0 HB2 LYS A 18 31.884 25.299 35.939 1.00 10.00 H new ATOM 0 HB3 LYS A 18 30.811 25.994 37.137 1.00 10.00 H new ATOM 0 HG2 LYS A 18 32.727 25.151 38.346 1.00 10.00 H new ATOM 0 HG3 LYS A 18 31.407 24.052 38.699 1.00 10.00 H new ATOM 0 HD2 LYS A 18 32.268 22.529 36.820 1.00 10.00 H new ATOM 0 HD3 LYS A 18 33.659 23.586 36.669 1.00 10.00 H new ATOM 0 HE2 LYS A 18 32.830 21.882 39.051 1.00 10.00 H new ATOM 0 HE3 LYS A 18 34.352 21.854 38.182 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 34.763 22.846 40.260 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 34.785 24.124 39.143 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 33.430 23.891 40.139 1.00 10.00 H new ATOM 251 N GLU A 19 28.808 25.358 34.543 1.00 10.00 N ATOM 252 CA GLU A 19 27.624 25.895 33.961 1.00 10.00 C ATOM 253 C GLU A 19 26.498 24.894 34.005 1.00 10.00 C ATOM 254 O GLU A 19 25.391 25.151 34.472 1.00 10.00 O ATOM 255 CB GLU A 19 27.932 26.345 32.591 1.00 10.00 C ATOM 256 CG GLU A 19 27.045 27.519 32.177 1.00 10.00 C ATOM 257 CD GLU A 19 27.527 28.238 30.914 1.00 10.00 C ATOM 258 OE1 GLU A 19 27.825 27.521 29.900 1.00 10.00 O ATOM 259 OE2 GLU A 19 27.854 29.447 31.034 1.00 10.00 O ATOM 0 H GLU A 19 29.589 25.282 33.891 1.00 10.00 H new ATOM 0 HA GLU A 19 27.281 26.756 34.536 1.00 10.00 H new ATOM 0 HB2 GLU A 19 28.980 26.639 32.530 1.00 10.00 H new ATOM 0 HB3 GLU A 19 27.792 25.518 31.895 1.00 10.00 H new ATOM 0 HG2 GLU A 19 26.030 27.156 32.013 1.00 10.00 H new ATOM 0 HG3 GLU A 19 26.999 28.235 32.997 1.00 10.00 H new ATOM 266 N LYS A 20 26.784 23.651 33.636 1.00 10.00 N ATOM 267 CA LYS A 20 25.744 22.566 33.665 1.00 10.00 C ATOM 268 C LYS A 20 25.276 22.165 35.051 1.00 10.00 C ATOM 269 O LYS A 20 24.399 21.318 35.177 1.00 10.00 O ATOM 270 CB LYS A 20 26.227 21.346 32.875 1.00 10.00 C ATOM 271 CG LYS A 20 26.401 21.522 31.348 1.00 10.00 C ATOM 272 CD LYS A 20 25.092 21.854 30.550 1.00 10.00 C ATOM 273 CE LYS A 20 25.207 21.838 28.992 1.00 10.00 C ATOM 274 NZ LYS A 20 26.422 22.534 28.440 1.00 10.00 N ATOM 0 H LYS A 20 27.703 23.348 33.315 1.00 10.00 H new ATOM 0 HA LYS A 20 24.863 22.994 33.187 1.00 10.00 H new ATOM 0 HB2 LYS A 20 27.184 21.030 33.291 1.00 10.00 H new ATOM 0 HB3 LYS A 20 25.522 20.532 33.044 1.00 10.00 H new ATOM 0 HG2 LYS A 20 27.124 22.319 31.172 1.00 10.00 H new ATOM 0 HG3 LYS A 20 26.830 20.606 30.941 1.00 10.00 H new ATOM 0 HD2 LYS A 20 24.322 21.140 30.843 1.00 10.00 H new ATOM 0 HD3 LYS A 20 24.745 22.841 30.857 1.00 10.00 H new ATOM 0 HE2 LYS A 20 25.214 20.802 28.653 1.00 10.00 H new ATOM 0 HE3 LYS A 20 24.316 22.305 28.571 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 26.406 22.488 27.401 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 26.420 23.529 28.743 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 27.281 22.066 28.794 1.00 10.00 H new ATOM 288 N LYS A 21 26.002 22.567 36.083 1.00 10.00 N ATOM 289 CA LYS A 21 25.778 22.365 37.570 1.00 10.00 C ATOM 290 C LYS A 21 25.140 23.548 38.183 1.00 10.00 C ATOM 291 O LYS A 21 24.685 23.569 39.288 1.00 10.00 O ATOM 292 CB LYS A 21 27.116 22.139 38.307 1.00 10.00 C ATOM 293 CG LYS A 21 27.590 20.737 38.031 1.00 10.00 C ATOM 294 CD LYS A 21 29.027 20.555 38.618 1.00 10.00 C ATOM 295 CE LYS A 21 29.405 19.074 38.273 1.00 10.00 C ATOM 296 NZ LYS A 21 29.614 18.244 39.446 1.00 10.00 N ATOM 0 H LYS A 21 26.857 23.100 35.921 1.00 10.00 H new ATOM 0 HA LYS A 21 25.133 21.492 37.667 1.00 10.00 H new ATOM 0 HB2 LYS A 21 27.859 22.862 37.971 1.00 10.00 H new ATOM 0 HB3 LYS A 21 26.987 22.290 39.379 1.00 10.00 H new ATOM 0 HG2 LYS A 21 26.907 20.015 38.479 1.00 10.00 H new ATOM 0 HG3 LYS A 21 27.596 20.547 36.958 1.00 10.00 H new ATOM 0 HD2 LYS A 21 29.730 21.259 38.172 1.00 10.00 H new ATOM 0 HD3 LYS A 21 29.041 20.728 39.694 1.00 10.00 H new ATOM 0 HE2 LYS A 21 28.613 18.637 37.664 1.00 10.00 H new ATOM 0 HE3 LYS A 21 30.312 19.070 37.668 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 29.861 17.278 39.149 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 30.388 18.639 40.017 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 28.743 18.220 40.014 1.00 10.00 H new ATOM 310 N GLU A 22 25.225 24.655 37.479 1.00 10.00 N ATOM 311 CA GLU A 22 24.664 25.905 37.929 1.00 10.00 C ATOM 312 C GLU A 22 23.275 26.082 37.438 1.00 10.00 C ATOM 313 O GLU A 22 22.399 26.314 38.222 1.00 10.00 O ATOM 314 CB GLU A 22 25.671 27.002 37.519 1.00 10.00 C ATOM 315 CG GLU A 22 25.117 28.372 37.828 1.00 10.00 C ATOM 316 CD GLU A 22 26.262 29.437 37.713 1.00 10.00 C ATOM 317 OE1 GLU A 22 27.415 29.262 38.143 1.00 10.00 O ATOM 318 OE2 GLU A 22 26.005 30.559 37.219 1.00 10.00 O ATOM 0 H GLU A 22 25.689 24.711 36.572 1.00 10.00 H new ATOM 0 HA GLU A 22 24.539 25.949 39.011 1.00 10.00 H new ATOM 0 HB2 GLU A 22 26.612 26.856 38.049 1.00 10.00 H new ATOM 0 HB3 GLU A 22 25.889 26.924 36.454 1.00 10.00 H new ATOM 0 HG2 GLU A 22 24.310 28.614 37.137 1.00 10.00 H new ATOM 0 HG3 GLU A 22 24.692 28.386 38.832 1.00 10.00 H new ATOM 325 N VAL A 23 23.045 25.857 36.155 1.00 10.00 N ATOM 326 CA VAL A 23 21.741 25.754 35.537 1.00 10.00 C ATOM 327 C VAL A 23 21.030 24.652 36.397 1.00 10.00 C ATOM 328 O VAL A 23 19.859 24.804 36.557 1.00 10.00 O ATOM 329 CB VAL A 23 21.818 25.191 34.130 1.00 10.00 C ATOM 330 CG1 VAL A 23 22.298 23.728 33.892 1.00 10.00 C ATOM 331 CG2 VAL A 23 20.431 25.223 33.498 1.00 10.00 C ATOM 0 H VAL A 23 23.805 25.736 35.485 1.00 10.00 H new ATOM 0 HA VAL A 23 21.256 26.729 35.490 1.00 10.00 H new ATOM 0 HB VAL A 23 22.587 25.836 33.706 1.00 10.00 H new ATOM 0 HG11 VAL A 23 22.285 23.510 32.824 1.00 10.00 H new ATOM 0 HG12 VAL A 23 23.312 23.611 34.274 1.00 10.00 H new ATOM 0 HG13 VAL A 23 21.633 23.038 34.411 1.00 10.00 H new ATOM 0 HG21 VAL A 23 20.482 24.819 32.487 1.00 10.00 H new ATOM 0 HG22 VAL A 23 19.745 24.621 34.095 1.00 10.00 H new ATOM 0 HG23 VAL A 23 20.072 26.252 33.460 1.00 10.00 H new ATOM 341 N VAL A 24 21.744 23.620 36.856 1.00 10.00 N ATOM 342 CA VAL A 24 21.057 22.541 37.567 1.00 10.00 C ATOM 343 C VAL A 24 20.706 22.988 39.007 1.00 10.00 C ATOM 344 O VAL A 24 19.634 22.706 39.491 1.00 10.00 O ATOM 345 CB VAL A 24 21.859 21.281 37.444 1.00 10.00 C ATOM 346 CG1 VAL A 24 22.090 20.376 38.651 1.00 10.00 C ATOM 347 CG2 VAL A 24 21.271 20.475 36.236 1.00 10.00 C ATOM 0 H VAL A 24 22.753 23.510 36.755 1.00 10.00 H new ATOM 0 HA VAL A 24 20.091 22.311 37.117 1.00 10.00 H new ATOM 0 HB VAL A 24 22.879 21.639 37.307 1.00 10.00 H new ATOM 0 HG11 VAL A 24 22.693 19.518 38.353 1.00 10.00 H new ATOM 0 HG12 VAL A 24 22.612 20.933 39.429 1.00 10.00 H new ATOM 0 HG13 VAL A 24 21.131 20.029 39.035 1.00 10.00 H new ATOM 0 HG21 VAL A 24 21.829 19.547 36.112 1.00 10.00 H new ATOM 0 HG22 VAL A 24 20.223 20.245 36.428 1.00 10.00 H new ATOM 0 HG23 VAL A 24 21.352 21.071 35.327 1.00 10.00 H new ATOM 357 N GLU A 25 21.537 23.745 39.739 1.00 10.00 N ATOM 358 CA GLU A 25 21.228 24.359 41.005 1.00 10.00 C ATOM 359 C GLU A 25 20.102 25.436 40.933 1.00 10.00 C ATOM 360 O GLU A 25 19.243 25.586 41.826 1.00 10.00 O ATOM 361 CB GLU A 25 22.563 24.839 41.511 1.00 10.00 C ATOM 362 CG GLU A 25 22.414 25.221 42.977 1.00 10.00 C ATOM 363 CD GLU A 25 23.764 25.558 43.635 1.00 10.00 C ATOM 364 OE1 GLU A 25 24.385 26.619 43.340 1.00 10.00 O ATOM 365 OE2 GLU A 25 24.274 24.753 44.481 1.00 10.00 O ATOM 0 H GLU A 25 22.489 23.946 39.433 1.00 10.00 H new ATOM 0 HA GLU A 25 20.775 23.662 41.710 1.00 10.00 H new ATOM 0 HB2 GLU A 25 23.314 24.058 41.398 1.00 10.00 H new ATOM 0 HB3 GLU A 25 22.903 25.695 40.929 1.00 10.00 H new ATOM 0 HG2 GLU A 25 21.748 26.080 43.060 1.00 10.00 H new ATOM 0 HG3 GLU A 25 21.944 24.400 43.518 1.00 10.00 H new ATOM 372 N GLU A 26 19.995 26.041 39.749 1.00 10.00 N ATOM 373 CA GLU A 26 18.883 26.968 39.372 1.00 10.00 C ATOM 374 C GLU A 26 17.557 26.389 38.821 1.00 10.00 C ATOM 375 O GLU A 26 16.568 27.026 39.112 1.00 10.00 O ATOM 376 CB GLU A 26 19.482 28.070 38.476 1.00 10.00 C ATOM 377 CG GLU A 26 20.516 29.009 39.216 1.00 10.00 C ATOM 378 CD GLU A 26 19.726 30.032 40.017 1.00 10.00 C ATOM 379 OE1 GLU A 26 19.102 30.962 39.428 1.00 10.00 O ATOM 380 OE2 GLU A 26 19.568 29.843 41.241 1.00 10.00 O ATOM 0 H GLU A 26 20.678 25.911 39.003 1.00 10.00 H new ATOM 0 HA GLU A 26 18.503 27.353 40.318 1.00 10.00 H new ATOM 0 HB2 GLU A 26 19.976 27.603 37.624 1.00 10.00 H new ATOM 0 HB3 GLU A 26 18.672 28.681 38.078 1.00 10.00 H new ATOM 0 HG2 GLU A 26 21.160 28.425 39.873 1.00 10.00 H new ATOM 0 HG3 GLU A 26 21.164 29.507 38.495 1.00 10.00 H new ATOM 387 N ALA A 27 17.624 25.161 38.310 1.00 10.00 N ATOM 388 CA ALA A 27 16.410 24.280 38.086 1.00 10.00 C ATOM 389 C ALA A 27 15.816 23.805 39.497 1.00 10.00 C ATOM 390 O ALA A 27 14.600 23.597 39.730 1.00 10.00 O ATOM 391 CB ALA A 27 16.860 23.156 37.159 1.00 10.00 C ATOM 0 H ALA A 27 18.502 24.723 38.031 1.00 10.00 H new ATOM 0 HA ALA A 27 15.580 24.798 37.605 1.00 10.00 H new ATOM 0 HB1 ALA A 27 16.021 22.488 36.963 1.00 10.00 H new ATOM 0 HB2 ALA A 27 17.214 23.579 36.219 1.00 10.00 H new ATOM 0 HB3 ALA A 27 17.667 22.596 37.631 1.00 10.00 H new