USER MOD reduce.3.24.130724 H: found=0, std=0, add=209, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 209 hydrogens (3 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 2 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -65:sc= 0.871 USER MOD Single : A 10 SER OG : rot 91:sc= 0.547 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -151:sc= 0.584 (180deg=-0.401) USER MOD Single : A 21 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.138) USER MOD Single : A 29 ASN : amide:sc= -0.304 X(o=-0.3,f=-0.24) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 1 41.116 18.243 14.616 1.00 10.00 C HETATM 2 O ACE A 1 40.809 19.280 14.009 1.00 10.00 O HETATM 3 CH3 ACE A 1 42.501 18.002 15.182 1.00 10.00 C HETATM 0 H1 ACE A 1 42.434 17.861 16.261 1.00 10.00 H new HETATM 0 H2 ACE A 1 42.930 17.110 14.726 1.00 10.00 H new HETATM 0 H3 ACE A 1 43.136 18.861 14.967 1.00 10.00 H new ATOM 7 N SER A 2 40.238 17.302 14.936 1.00 10.00 N ATOM 8 CA SER A 2 38.845 17.317 14.388 1.00 10.00 C ATOM 9 C SER A 2 37.978 18.279 15.160 1.00 10.00 C ATOM 10 O SER A 2 37.123 18.885 14.562 1.00 10.00 O ATOM 11 CB SER A 2 38.218 15.923 14.381 1.00 10.00 C ATOM 12 OG SER A 2 38.896 15.030 13.500 1.00 10.00 O ATOM 0 H SER A 2 40.439 16.521 15.560 1.00 10.00 H new ATOM 0 HA SER A 2 38.910 17.653 13.353 1.00 10.00 H new ATOM 0 HB2 SER A 2 38.234 15.515 15.392 1.00 10.00 H new ATOM 0 HB3 SER A 2 37.172 15.999 14.084 1.00 10.00 H new ATOM 0 HG SER A 2 38.463 14.151 13.528 1.00 10.00 H new ATOM 18 N ASP A 3 38.197 18.398 16.429 1.00 10.00 N ATOM 19 CA ASP A 3 37.639 19.345 17.459 1.00 10.00 C ATOM 20 C ASP A 3 37.838 20.824 17.042 1.00 10.00 C ATOM 21 O ASP A 3 37.166 21.685 17.585 1.00 10.00 O ATOM 22 CB ASP A 3 38.301 19.034 18.809 1.00 10.00 C ATOM 23 CG ASP A 3 37.635 19.754 20.025 1.00 10.00 C ATOM 24 OD1 ASP A 3 36.439 20.071 20.015 1.00 10.00 O ATOM 25 OD2 ASP A 3 38.231 19.961 21.096 1.00 10.00 O ATOM 0 H ASP A 3 38.860 17.762 16.873 1.00 10.00 H new ATOM 0 HA ASP A 3 36.562 19.202 17.544 1.00 10.00 H new ATOM 0 HB2 ASP A 3 38.272 17.957 18.977 1.00 10.00 H new ATOM 0 HB3 ASP A 3 39.352 19.321 18.761 1.00 10.00 H new ATOM 30 N ALA A 4 38.654 21.140 16.032 1.00 10.00 N ATOM 31 CA ALA A 4 38.822 22.545 15.542 1.00 10.00 C ATOM 32 C ALA A 4 37.443 23.090 15.010 1.00 10.00 C ATOM 33 O ALA A 4 37.087 24.165 15.326 1.00 10.00 O ATOM 34 CB ALA A 4 39.851 22.590 14.433 1.00 10.00 C ATOM 0 H ALA A 4 39.216 20.455 15.527 1.00 10.00 H new ATOM 0 HA ALA A 4 39.164 23.170 16.367 1.00 10.00 H new ATOM 0 HB1 ALA A 4 39.965 23.616 14.084 1.00 10.00 H new ATOM 0 HB2 ALA A 4 40.807 22.226 14.809 1.00 10.00 H new ATOM 0 HB3 ALA A 4 39.523 21.960 13.606 1.00 10.00 H new ATOM 40 N ALA A 5 36.634 22.164 14.477 1.00 10.00 N ATOM 41 CA ALA A 5 35.300 22.519 13.877 1.00 10.00 C ATOM 42 C ALA A 5 34.222 22.690 14.995 1.00 10.00 C ATOM 43 O ALA A 5 33.039 22.836 14.695 1.00 10.00 O ATOM 44 CB ALA A 5 34.967 21.323 12.933 1.00 10.00 C ATOM 0 H ALA A 5 36.858 21.170 14.439 1.00 10.00 H new ATOM 0 HA ALA A 5 35.318 23.466 13.338 1.00 10.00 H new ATOM 0 HB1 ALA A 5 34.005 21.497 12.450 1.00 10.00 H new ATOM 0 HB2 ALA A 5 35.743 21.232 12.173 1.00 10.00 H new ATOM 0 HB3 ALA A 5 34.919 20.403 13.515 1.00 10.00 H new ATOM 50 N VAL A 6 34.642 22.699 16.232 1.00 10.00 N ATOM 51 CA VAL A 6 33.798 22.926 17.351 1.00 10.00 C ATOM 52 C VAL A 6 34.422 24.062 18.237 1.00 10.00 C ATOM 53 O VAL A 6 33.912 24.257 19.335 1.00 10.00 O ATOM 54 CB VAL A 6 33.460 21.667 18.208 1.00 10.00 C ATOM 55 CG1 VAL A 6 32.184 21.943 19.036 1.00 10.00 C ATOM 56 CG2 VAL A 6 33.311 20.335 17.455 1.00 10.00 C ATOM 0 H VAL A 6 35.617 22.542 16.486 1.00 10.00 H new ATOM 0 HA VAL A 6 32.833 23.229 16.946 1.00 10.00 H new ATOM 0 HB VAL A 6 34.339 21.519 18.835 1.00 10.00 H new ATOM 0 HG11 VAL A 6 31.943 21.066 19.637 1.00 10.00 H new ATOM 0 HG12 VAL A 6 32.354 22.797 19.692 1.00 10.00 H new ATOM 0 HG13 VAL A 6 31.354 22.161 18.364 1.00 10.00 H new ATOM 0 HG21 VAL A 6 33.077 19.541 18.164 1.00 10.00 H new ATOM 0 HG22 VAL A 6 32.507 20.418 16.724 1.00 10.00 H new ATOM 0 HG23 VAL A 6 34.244 20.100 16.943 1.00 10.00 H new ATOM 66 N ASP A 7 35.480 24.729 17.796 1.00 10.00 N ATOM 67 CA ASP A 7 36.334 25.695 18.512 1.00 10.00 C ATOM 68 C ASP A 7 37.098 25.022 19.689 1.00 10.00 C ATOM 69 O ASP A 7 37.151 25.513 20.795 1.00 10.00 O ATOM 70 CB ASP A 7 35.602 26.992 18.763 1.00 10.00 C ATOM 71 CG ASP A 7 36.550 28.069 19.185 1.00 10.00 C ATOM 72 OD1 ASP A 7 37.482 28.459 18.506 1.00 10.00 O ATOM 73 OD2 ASP A 7 36.335 28.655 20.267 1.00 10.00 O ATOM 0 H ASP A 7 35.801 24.602 16.836 1.00 10.00 H new ATOM 0 HA ASP A 7 37.160 26.025 17.882 1.00 10.00 H new ATOM 0 HB2 ASP A 7 35.077 27.299 17.858 1.00 10.00 H new ATOM 0 HB3 ASP A 7 34.847 26.844 19.535 1.00 10.00 H new ATOM 78 N THR A 8 37.714 23.869 19.523 1.00 10.00 N ATOM 79 CA THR A 8 38.486 23.172 20.590 1.00 10.00 C ATOM 80 C THR A 8 37.743 23.147 21.929 1.00 10.00 C ATOM 81 O THR A 8 38.135 23.803 22.885 1.00 10.00 O ATOM 82 CB THR A 8 39.815 23.847 20.710 1.00 10.00 C ATOM 83 OG1 THR A 8 40.477 24.216 19.520 1.00 10.00 O ATOM 84 CG2 THR A 8 40.898 23.034 21.467 1.00 10.00 C ATOM 0 H THR A 8 37.706 23.363 18.637 1.00 10.00 H new ATOM 0 HA THR A 8 38.619 22.126 20.314 1.00 10.00 H new ATOM 0 HB THR A 8 39.471 24.730 21.249 1.00 10.00 H new ATOM 0 HG1 THR A 8 41.329 24.647 19.740 1.00 10.00 H new ATOM 0 HG21 THR A 8 41.825 23.607 21.501 1.00 10.00 H new ATOM 0 HG22 THR A 8 40.558 22.833 22.483 1.00 10.00 H new ATOM 0 HG23 THR A 8 41.073 22.091 20.949 1.00 10.00 H new ATOM 92 N SER A 9 36.606 22.431 21.896 1.00 10.00 N ATOM 93 CA SER A 9 35.595 22.382 22.995 1.00 10.00 C ATOM 94 C SER A 9 36.172 21.597 24.173 1.00 10.00 C ATOM 95 O SER A 9 35.755 21.821 25.324 1.00 10.00 O ATOM 96 CB SER A 9 34.297 21.762 22.508 1.00 10.00 C ATOM 97 OG SER A 9 34.564 20.437 22.000 1.00 10.00 O ATOM 0 H SER A 9 36.348 21.855 21.095 1.00 10.00 H new ATOM 0 HA SER A 9 35.367 23.397 23.321 1.00 10.00 H new ATOM 0 HB2 SER A 9 33.575 21.713 23.323 1.00 10.00 H new ATOM 0 HB3 SER A 9 33.855 22.381 21.728 1.00 10.00 H new ATOM 0 HG SER A 9 35.141 20.500 21.210 1.00 10.00 H new ATOM 103 N SER A 10 37.076 20.627 23.879 1.00 10.00 N ATOM 104 CA SER A 10 37.786 19.732 24.871 1.00 10.00 C ATOM 105 C SER A 10 38.660 20.515 25.840 1.00 10.00 C ATOM 106 O SER A 10 39.179 19.907 26.787 1.00 10.00 O ATOM 107 CB SER A 10 38.652 18.722 24.076 1.00 10.00 C ATOM 108 OG SER A 10 37.806 17.986 23.166 1.00 10.00 O ATOM 0 H SER A 10 37.350 20.428 22.917 1.00 10.00 H new ATOM 0 HA SER A 10 37.036 19.218 25.472 1.00 10.00 H new ATOM 0 HB2 SER A 10 39.430 19.248 23.523 1.00 10.00 H new ATOM 0 HB3 SER A 10 39.154 18.037 24.760 1.00 10.00 H new ATOM 0 HG SER A 10 37.771 18.451 22.304 1.00 10.00 H new ATOM 114 N GLU A 11 38.843 21.806 25.643 1.00 10.00 N ATOM 115 CA GLU A 11 39.650 22.616 26.508 1.00 10.00 C ATOM 116 C GLU A 11 38.797 23.465 27.500 1.00 10.00 C ATOM 117 O GLU A 11 39.203 23.850 28.608 1.00 10.00 O ATOM 118 CB GLU A 11 40.361 23.581 25.540 1.00 10.00 C ATOM 119 CG GLU A 11 41.395 24.491 26.163 1.00 10.00 C ATOM 120 CD GLU A 11 42.064 25.377 25.119 1.00 10.00 C ATOM 121 OE1 GLU A 11 41.472 26.462 24.973 1.00 10.00 O ATOM 122 OE2 GLU A 11 43.115 25.005 24.546 1.00 10.00 O ATOM 0 H GLU A 11 38.427 22.320 24.866 1.00 10.00 H new ATOM 0 HA GLU A 11 40.311 21.998 27.115 1.00 10.00 H new ATOM 0 HB2 GLU A 11 40.844 22.993 24.760 1.00 10.00 H new ATOM 0 HB3 GLU A 11 39.607 24.199 25.053 1.00 10.00 H new ATOM 0 HG2 GLU A 11 40.922 25.115 26.921 1.00 10.00 H new ATOM 0 HG3 GLU A 11 42.151 23.891 26.670 1.00 10.00 H new ATOM 129 N ILE A 12 37.544 23.763 27.121 1.00 10.00 N ATOM 130 CA ILE A 12 36.607 24.572 27.935 1.00 10.00 C ATOM 131 C ILE A 12 35.717 23.735 28.858 1.00 10.00 C ATOM 132 O ILE A 12 34.974 24.284 29.704 1.00 10.00 O ATOM 133 CB ILE A 12 35.874 25.676 27.174 1.00 10.00 C ATOM 134 CG1 ILE A 12 34.777 25.057 26.190 1.00 10.00 C ATOM 135 CG2 ILE A 12 36.756 26.517 26.343 1.00 10.00 C ATOM 136 CD1 ILE A 12 33.588 25.969 25.815 1.00 10.00 C ATOM 0 H ILE A 12 37.145 23.450 26.236 1.00 10.00 H new ATOM 0 HA ILE A 12 37.256 25.133 28.608 1.00 10.00 H new ATOM 0 HB ILE A 12 35.426 26.293 27.953 1.00 10.00 H new ATOM 0 HG12 ILE A 12 35.277 24.754 25.270 1.00 10.00 H new ATOM 0 HG13 ILE A 12 34.380 24.152 26.649 1.00 10.00 H new ATOM 0 HG21 ILE A 12 36.162 27.277 25.835 1.00 10.00 H new ATOM 0 HG22 ILE A 12 37.499 27.001 26.976 1.00 10.00 H new ATOM 0 HG23 ILE A 12 37.260 25.895 25.603 1.00 10.00 H new ATOM 0 HD11 ILE A 12 32.916 25.434 25.144 1.00 10.00 H new ATOM 0 HD12 ILE A 12 33.048 26.253 26.718 1.00 10.00 H new ATOM 0 HD13 ILE A 12 33.959 26.865 25.318 1.00 10.00 H new ATOM 148 N THR A 13 35.613 22.395 28.583 1.00 10.00 N ATOM 149 CA THR A 13 34.614 21.443 29.101 1.00 10.00 C ATOM 150 C THR A 13 34.421 21.476 30.626 1.00 10.00 C ATOM 151 O THR A 13 33.265 21.323 31.108 1.00 10.00 O ATOM 152 CB THR A 13 34.918 20.050 28.623 1.00 10.00 C ATOM 153 OG1 THR A 13 33.896 19.180 29.185 1.00 10.00 O ATOM 154 CG2 THR A 13 36.345 19.664 29.050 1.00 10.00 C ATOM 0 H THR A 13 36.273 21.939 27.953 1.00 10.00 H new ATOM 0 HA THR A 13 33.658 21.771 28.692 1.00 10.00 H new ATOM 0 HB THR A 13 34.893 19.964 27.537 1.00 10.00 H new ATOM 0 HG1 THR A 13 34.056 18.258 28.896 1.00 10.00 H new ATOM 0 HG21 THR A 13 36.568 18.654 28.705 1.00 10.00 H new ATOM 0 HG22 THR A 13 37.057 20.363 28.612 1.00 10.00 H new ATOM 0 HG23 THR A 13 36.422 19.701 30.137 1.00 10.00 H new ATOM 162 N THR A 14 35.395 21.900 31.430 1.00 10.00 N ATOM 163 CA THR A 14 35.252 22.099 32.866 1.00 10.00 C ATOM 164 C THR A 14 34.418 23.335 33.239 1.00 10.00 C ATOM 165 O THR A 14 33.506 23.439 34.075 1.00 10.00 O ATOM 166 CB THR A 14 36.603 22.214 33.594 1.00 10.00 C ATOM 167 OG1 THR A 14 37.602 21.202 33.239 1.00 10.00 O ATOM 168 CG2 THR A 14 36.347 22.116 35.068 1.00 10.00 C ATOM 0 H THR A 14 36.330 22.120 31.088 1.00 10.00 H new ATOM 0 HA THR A 14 34.728 21.201 33.193 1.00 10.00 H new ATOM 0 HB THR A 14 37.026 23.170 33.286 1.00 10.00 H new ATOM 0 HG1 THR A 14 38.423 21.359 33.750 1.00 10.00 H new ATOM 0 HG21 THR A 14 37.291 22.195 35.607 1.00 10.00 H new ATOM 0 HG22 THR A 14 35.684 22.924 35.377 1.00 10.00 H new ATOM 0 HG23 THR A 14 35.880 21.157 35.293 1.00 10.00 H new ATOM 176 N LYS A 15 34.644 24.357 32.390 1.00 10.00 N ATOM 177 CA LYS A 15 33.939 25.637 32.401 1.00 10.00 C ATOM 178 C LYS A 15 32.444 25.512 31.878 1.00 10.00 C ATOM 179 O LYS A 15 31.589 26.197 32.373 1.00 10.00 O ATOM 180 CB LYS A 15 34.665 26.742 31.669 1.00 10.00 C ATOM 181 CG LYS A 15 36.078 27.055 32.201 1.00 10.00 C ATOM 182 CD LYS A 15 36.573 28.143 31.248 1.00 10.00 C ATOM 183 CE LYS A 15 37.944 28.502 31.871 1.00 10.00 C ATOM 184 NZ LYS A 15 38.790 29.344 30.937 1.00 10.00 N ATOM 0 H LYS A 15 35.349 24.304 31.655 1.00 10.00 H new ATOM 0 HA LYS A 15 33.911 25.923 33.452 1.00 10.00 H new ATOM 0 HB2 LYS A 15 34.741 26.471 30.616 1.00 10.00 H new ATOM 0 HB3 LYS A 15 34.063 27.649 31.722 1.00 10.00 H new ATOM 0 HG2 LYS A 15 36.052 27.404 33.233 1.00 10.00 H new ATOM 0 HG3 LYS A 15 36.722 26.176 32.178 1.00 10.00 H new ATOM 0 HD2 LYS A 15 36.670 27.779 30.225 1.00 10.00 H new ATOM 0 HD3 LYS A 15 35.899 28.999 31.218 1.00 10.00 H new ATOM 0 HE2 LYS A 15 37.787 29.043 32.804 1.00 10.00 H new ATOM 0 HE3 LYS A 15 38.480 27.586 32.119 1.00 10.00 H new ATOM 0 HZ1 LYS A 15 39.699 29.562 31.393 1.00 10.00 H new ATOM 0 HZ2 LYS A 15 38.962 28.819 30.056 1.00 10.00 H new ATOM 0 HZ3 LYS A 15 38.291 30.230 30.720 1.00 10.00 H new ATOM 198 N ASP A 16 32.231 24.461 31.062 1.00 10.00 N ATOM 199 CA ASP A 16 30.913 23.917 30.650 1.00 10.00 C ATOM 200 C ASP A 16 30.196 23.096 31.726 1.00 10.00 C ATOM 201 O ASP A 16 28.977 23.220 31.932 1.00 10.00 O ATOM 202 CB ASP A 16 31.050 23.048 29.382 1.00 10.00 C ATOM 203 CG ASP A 16 29.692 22.752 28.780 1.00 10.00 C ATOM 204 OD1 ASP A 16 29.145 23.670 28.214 1.00 10.00 O ATOM 205 OD2 ASP A 16 29.192 21.598 28.878 1.00 10.00 O ATOM 0 H ASP A 16 33.006 23.941 30.651 1.00 10.00 H new ATOM 0 HA ASP A 16 30.301 24.799 30.459 1.00 10.00 H new ATOM 0 HB2 ASP A 16 31.673 23.562 28.650 1.00 10.00 H new ATOM 0 HB3 ASP A 16 31.554 22.114 29.629 1.00 10.00 H new ATOM 210 N LEU A 17 30.985 22.354 32.493 1.00 10.00 N ATOM 211 CA LEU A 17 30.363 21.634 33.558 1.00 10.00 C ATOM 212 C LEU A 17 29.952 22.434 34.785 1.00 10.00 C ATOM 213 O LEU A 17 29.077 21.952 35.529 1.00 10.00 O ATOM 214 CB LEU A 17 31.260 20.386 33.879 1.00 10.00 C ATOM 215 CG LEU A 17 31.215 19.401 32.670 1.00 10.00 C ATOM 216 CD1 LEU A 17 32.514 18.569 32.718 1.00 10.00 C ATOM 217 CD2 LEU A 17 30.066 18.456 33.010 1.00 10.00 C ATOM 0 H LEU A 17 31.995 22.247 32.397 1.00 10.00 H new ATOM 0 HA LEU A 17 29.381 21.320 33.204 1.00 10.00 H new ATOM 0 HB2 LEU A 17 32.286 20.700 34.071 1.00 10.00 H new ATOM 0 HB3 LEU A 17 30.905 19.890 34.782 1.00 10.00 H new ATOM 0 HG LEU A 17 31.105 19.895 31.705 1.00 10.00 H new ATOM 0 HD11 LEU A 17 32.525 17.864 31.887 1.00 10.00 H new ATOM 0 HD12 LEU A 17 33.375 19.233 32.642 1.00 10.00 H new ATOM 0 HD13 LEU A 17 32.561 18.021 33.659 1.00 10.00 H new ATOM 0 HD21 LEU A 17 29.953 17.720 32.214 1.00 10.00 H new ATOM 0 HD22 LEU A 17 30.280 17.945 33.949 1.00 10.00 H new ATOM 0 HD23 LEU A 17 29.143 19.027 33.110 1.00 10.00 H new ATOM 229 N LYS A 18 30.727 23.539 34.995 1.00 10.00 N ATOM 230 CA LYS A 18 30.260 24.459 36.019 1.00 10.00 C ATOM 231 C LYS A 18 28.993 25.218 35.526 1.00 10.00 C ATOM 232 O LYS A 18 28.337 25.908 36.282 1.00 10.00 O ATOM 233 CB LYS A 18 31.309 25.509 36.314 1.00 10.00 C ATOM 234 CG LYS A 18 32.245 25.142 37.482 1.00 10.00 C ATOM 235 CD LYS A 18 33.282 24.038 37.132 1.00 10.00 C ATOM 236 CE LYS A 18 34.343 23.684 38.197 1.00 10.00 C ATOM 237 NZ LYS A 18 35.165 24.848 38.625 1.00 10.00 N ATOM 0 H LYS A 18 31.591 23.782 34.511 1.00 10.00 H new ATOM 0 HA LYS A 18 30.044 23.868 36.909 1.00 10.00 H new ATOM 0 HB2 LYS A 18 31.908 25.672 35.418 1.00 10.00 H new ATOM 0 HB3 LYS A 18 30.812 26.452 36.541 1.00 10.00 H new ATOM 0 HG2 LYS A 18 32.776 26.037 37.805 1.00 10.00 H new ATOM 0 HG3 LYS A 18 31.643 24.807 38.327 1.00 10.00 H new ATOM 0 HD2 LYS A 18 32.733 23.128 36.890 1.00 10.00 H new ATOM 0 HD3 LYS A 18 33.806 24.345 36.227 1.00 10.00 H new ATOM 0 HE2 LYS A 18 33.844 23.261 39.069 1.00 10.00 H new ATOM 0 HE3 LYS A 18 35.001 22.911 37.800 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 35.856 24.541 39.339 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 35.668 25.239 37.803 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 34.547 25.578 39.032 1.00 10.00 H new ATOM 251 N GLU A 19 28.751 25.275 34.211 1.00 10.00 N ATOM 252 CA GLU A 19 27.454 25.725 33.684 1.00 10.00 C ATOM 253 C GLU A 19 26.388 24.664 33.967 1.00 10.00 C ATOM 254 O GLU A 19 25.315 24.986 34.496 1.00 10.00 O ATOM 255 CB GLU A 19 27.544 25.875 32.168 1.00 10.00 C ATOM 256 CG GLU A 19 26.772 27.045 31.690 1.00 10.00 C ATOM 257 CD GLU A 19 26.965 27.459 30.209 1.00 10.00 C ATOM 258 OE1 GLU A 19 27.950 28.110 29.790 1.00 10.00 O ATOM 259 OE2 GLU A 19 26.147 27.027 29.403 1.00 10.00 O ATOM 0 H GLU A 19 29.430 25.017 33.495 1.00 10.00 H new ATOM 0 HA GLU A 19 27.197 26.673 34.157 1.00 10.00 H new ATOM 0 HB2 GLU A 19 28.588 25.982 31.874 1.00 10.00 H new ATOM 0 HB3 GLU A 19 27.169 24.970 31.689 1.00 10.00 H new ATOM 0 HG2 GLU A 19 25.713 26.840 31.849 1.00 10.00 H new ATOM 0 HG3 GLU A 19 27.029 27.899 32.317 1.00 10.00 H new ATOM 266 N LYS A 20 26.650 23.400 33.645 1.00 10.00 N ATOM 267 CA LYS A 20 25.727 22.262 33.857 1.00 10.00 C ATOM 268 C LYS A 20 25.425 21.959 35.302 1.00 10.00 C ATOM 269 O LYS A 20 24.311 21.416 35.486 1.00 10.00 O ATOM 270 CB LYS A 20 26.264 20.978 33.201 1.00 10.00 C ATOM 271 CG LYS A 20 26.423 20.897 31.667 1.00 10.00 C ATOM 272 CD LYS A 20 25.058 20.873 30.892 1.00 10.00 C ATOM 273 CE LYS A 20 25.385 20.993 29.396 1.00 10.00 C ATOM 274 NZ LYS A 20 26.317 22.058 29.017 1.00 10.00 N ATOM 0 H LYS A 20 27.532 23.119 33.217 1.00 10.00 H new ATOM 0 HA LYS A 20 24.797 22.584 33.388 1.00 10.00 H new ATOM 0 HB2 LYS A 20 27.242 20.776 33.638 1.00 10.00 H new ATOM 0 HB3 LYS A 20 25.606 20.162 33.501 1.00 10.00 H new ATOM 0 HG2 LYS A 20 27.010 21.750 31.326 1.00 10.00 H new ATOM 0 HG3 LYS A 20 26.989 20.000 31.416 1.00 10.00 H new ATOM 0 HD2 LYS A 20 24.516 19.949 31.095 1.00 10.00 H new ATOM 0 HD3 LYS A 20 24.418 21.695 31.213 1.00 10.00 H new ATOM 0 HE2 LYS A 20 25.797 20.042 29.059 1.00 10.00 H new ATOM 0 HE3 LYS A 20 24.452 21.146 28.853 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 26.106 22.376 28.049 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 26.216 22.858 29.674 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 27.292 21.697 29.058 1.00 10.00 H new ATOM 288 N LYS A 21 26.257 22.337 36.348 1.00 10.00 N ATOM 289 CA LYS A 21 26.041 22.086 37.840 1.00 10.00 C ATOM 290 C LYS A 21 25.337 23.187 38.558 1.00 10.00 C ATOM 291 O LYS A 21 24.712 23.095 39.566 1.00 10.00 O ATOM 292 CB LYS A 21 27.401 21.884 38.509 1.00 10.00 C ATOM 293 CG LYS A 21 27.959 20.429 38.195 1.00 10.00 C ATOM 294 CD LYS A 21 29.310 20.184 38.934 1.00 10.00 C ATOM 295 CE LYS A 21 29.643 18.712 38.841 1.00 10.00 C ATOM 296 NZ LYS A 21 28.836 17.891 39.727 1.00 10.00 N ATOM 0 H LYS A 21 27.126 22.842 36.172 1.00 10.00 H new ATOM 0 HA LYS A 21 25.402 21.205 37.905 1.00 10.00 H new ATOM 0 HB2 LYS A 21 28.105 22.636 38.152 1.00 10.00 H new ATOM 0 HB3 LYS A 21 27.308 22.021 39.586 1.00 10.00 H new ATOM 0 HG2 LYS A 21 27.229 19.680 38.503 1.00 10.00 H new ATOM 0 HG3 LYS A 21 28.100 20.313 37.121 1.00 10.00 H new ATOM 0 HD2 LYS A 21 30.103 20.782 38.484 1.00 10.00 H new ATOM 0 HD3 LYS A 21 29.233 20.491 39.977 1.00 10.00 H new ATOM 0 HE2 LYS A 21 29.500 18.377 37.814 1.00 10.00 H new ATOM 0 HE3 LYS A 21 30.697 18.568 39.080 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 29.266 16.948 39.814 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 28.787 18.337 40.665 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 27.876 17.799 39.337 1.00 10.00 H new ATOM 310 N GLU A 22 25.472 24.361 37.964 1.00 10.00 N ATOM 311 CA GLU A 22 24.884 25.630 38.468 1.00 10.00 C ATOM 312 C GLU A 22 23.515 25.821 37.885 1.00 10.00 C ATOM 313 O GLU A 22 22.476 25.896 38.632 1.00 10.00 O ATOM 314 CB GLU A 22 25.781 26.772 38.118 1.00 10.00 C ATOM 315 CG GLU A 22 25.249 28.172 38.556 1.00 10.00 C ATOM 316 CD GLU A 22 26.176 29.246 38.061 1.00 10.00 C ATOM 317 OE1 GLU A 22 26.465 29.303 36.868 1.00 10.00 O ATOM 318 OE2 GLU A 22 26.545 30.148 38.791 1.00 10.00 O ATOM 0 H GLU A 22 26.000 24.481 37.100 1.00 10.00 H new ATOM 0 HA GLU A 22 24.790 25.587 39.553 1.00 10.00 H new ATOM 0 HB2 GLU A 22 26.755 26.607 38.579 1.00 10.00 H new ATOM 0 HB3 GLU A 22 25.936 26.778 37.039 1.00 10.00 H new ATOM 0 HG2 GLU A 22 24.247 28.331 38.158 1.00 10.00 H new ATOM 0 HG3 GLU A 22 25.171 28.218 39.642 1.00 10.00 H new ATOM 325 N VAL A 23 23.340 25.698 36.549 1.00 10.00 N ATOM 326 CA VAL A 23 22.079 25.530 35.948 1.00 10.00 C ATOM 327 C VAL A 23 21.271 24.438 36.600 1.00 10.00 C ATOM 328 O VAL A 23 20.089 24.663 36.790 1.00 10.00 O ATOM 329 CB VAL A 23 22.145 25.301 34.409 1.00 10.00 C ATOM 330 CG1 VAL A 23 22.272 23.811 33.876 1.00 10.00 C ATOM 331 CG2 VAL A 23 20.939 25.901 33.723 1.00 10.00 C ATOM 0 H VAL A 23 24.111 25.718 35.882 1.00 10.00 H new ATOM 0 HA VAL A 23 21.571 26.480 36.110 1.00 10.00 H new ATOM 0 HB VAL A 23 23.087 25.790 34.163 1.00 10.00 H new ATOM 0 HG11 VAL A 23 22.306 23.816 32.787 1.00 10.00 H new ATOM 0 HG12 VAL A 23 23.185 23.362 34.266 1.00 10.00 H new ATOM 0 HG13 VAL A 23 21.412 23.231 34.209 1.00 10.00 H new ATOM 0 HG21 VAL A 23 21.008 25.728 32.649 1.00 10.00 H new ATOM 0 HG22 VAL A 23 20.032 25.435 34.108 1.00 10.00 H new ATOM 0 HG23 VAL A 23 20.906 26.973 33.917 1.00 10.00 H new ATOM 341 N VAL A 24 21.837 23.287 36.917 1.00 10.00 N ATOM 342 CA VAL A 24 20.938 22.166 37.332 1.00 10.00 C ATOM 343 C VAL A 24 20.457 22.387 38.717 1.00 10.00 C ATOM 344 O VAL A 24 19.305 22.004 38.975 1.00 10.00 O ATOM 345 CB VAL A 24 21.615 20.833 37.078 1.00 10.00 C ATOM 346 CG1 VAL A 24 22.550 20.343 38.212 1.00 10.00 C ATOM 347 CG2 VAL A 24 20.601 19.737 36.774 1.00 10.00 C ATOM 0 H VAL A 24 22.837 23.086 36.906 1.00 10.00 H new ATOM 0 HA VAL A 24 20.035 22.142 36.721 1.00 10.00 H new ATOM 0 HB VAL A 24 22.245 21.027 36.210 1.00 10.00 H new ATOM 0 HG11 VAL A 24 22.985 19.383 37.935 1.00 10.00 H new ATOM 0 HG12 VAL A 24 23.346 21.071 38.367 1.00 10.00 H new ATOM 0 HG13 VAL A 24 21.977 20.230 39.132 1.00 10.00 H new ATOM 0 HG21 VAL A 24 21.123 18.797 36.598 1.00 10.00 H new ATOM 0 HG22 VAL A 24 19.924 19.623 37.621 1.00 10.00 H new ATOM 0 HG23 VAL A 24 20.029 20.007 35.886 1.00 10.00 H new ATOM 357 N GLU A 25 21.215 23.021 39.606 1.00 10.00 N ATOM 358 CA GLU A 25 20.683 23.389 40.905 1.00 10.00 C ATOM 359 C GLU A 25 19.816 24.630 40.887 1.00 10.00 C ATOM 360 O GLU A 25 18.972 24.723 41.732 1.00 10.00 O ATOM 361 CB GLU A 25 21.821 23.633 41.852 1.00 10.00 C ATOM 362 CG GLU A 25 22.612 22.359 42.318 1.00 10.00 C ATOM 363 CD GLU A 25 21.949 21.673 43.523 1.00 10.00 C ATOM 364 OE1 GLU A 25 20.770 21.210 43.405 1.00 10.00 O ATOM 365 OE2 GLU A 25 22.486 21.788 44.660 1.00 10.00 O ATOM 0 H GLU A 25 22.187 23.286 39.450 1.00 10.00 H new ATOM 0 HA GLU A 25 20.053 22.557 41.220 1.00 10.00 H new ATOM 0 HB2 GLU A 25 22.523 24.319 41.377 1.00 10.00 H new ATOM 0 HB3 GLU A 25 21.431 24.138 42.736 1.00 10.00 H new ATOM 0 HG2 GLU A 25 22.679 21.652 41.491 1.00 10.00 H new ATOM 0 HG3 GLU A 25 23.632 22.642 42.579 1.00 10.00 H new ATOM 372 N GLU A 26 20.029 25.630 40.032 1.00 10.00 N ATOM 373 CA GLU A 26 19.139 26.734 39.772 1.00 10.00 C ATOM 374 C GLU A 26 17.734 26.301 39.185 1.00 10.00 C ATOM 375 O GLU A 26 16.811 27.073 39.435 1.00 10.00 O ATOM 376 CB GLU A 26 19.865 27.732 38.870 1.00 10.00 C ATOM 377 CG GLU A 26 20.878 28.575 39.558 1.00 10.00 C ATOM 378 CD GLU A 26 20.263 29.321 40.772 1.00 10.00 C ATOM 379 OE1 GLU A 26 19.061 29.783 40.795 1.00 10.00 O ATOM 380 OE2 GLU A 26 20.996 29.547 41.735 1.00 10.00 O ATOM 0 H GLU A 26 20.882 25.683 39.475 1.00 10.00 H new ATOM 0 HA GLU A 26 18.890 27.205 40.723 1.00 10.00 H new ATOM 0 HB2 GLU A 26 20.356 27.183 38.066 1.00 10.00 H new ATOM 0 HB3 GLU A 26 19.126 28.384 38.405 1.00 10.00 H new ATOM 0 HG2 GLU A 26 21.706 27.951 39.894 1.00 10.00 H new ATOM 0 HG3 GLU A 26 21.290 29.299 38.855 1.00 10.00 H new ATOM 387 N ALA A 27 17.612 25.135 38.528 1.00 10.00 N ATOM 388 CA ALA A 27 16.336 24.615 38.038 1.00 10.00 C ATOM 389 C ALA A 27 15.463 24.194 39.264 1.00 10.00 C ATOM 390 O ALA A 27 14.278 24.296 39.237 1.00 10.00 O ATOM 391 CB ALA A 27 16.602 23.432 37.014 1.00 10.00 C ATOM 0 H ALA A 27 18.405 24.527 38.324 1.00 10.00 H new ATOM 0 HA ALA A 27 15.780 25.376 37.490 1.00 10.00 H new ATOM 0 HB1 ALA A 27 15.650 23.045 36.650 1.00 10.00 H new ATOM 0 HB2 ALA A 27 17.189 23.803 36.174 1.00 10.00 H new ATOM 0 HB3 ALA A 27 17.150 22.634 37.515 1.00 10.00 H new ATOM 397 N GLU A 28 16.114 23.860 40.416 1.00 10.00 N ATOM 398 CA GLU A 28 15.501 23.580 41.727 1.00 10.00 C ATOM 399 C GLU A 28 15.211 24.831 42.604 1.00 10.00 C ATOM 400 O GLU A 28 14.384 24.679 43.546 1.00 10.00 O ATOM 401 CB GLU A 28 16.390 22.626 42.541 1.00 10.00 C ATOM 402 CG GLU A 28 16.705 21.244 41.906 1.00 10.00 C ATOM 403 CD GLU A 28 15.390 20.383 42.135 1.00 10.00 C ATOM 404 OE1 GLU A 28 14.372 20.583 41.424 1.00 10.00 O ATOM 405 OE2 GLU A 28 15.367 19.565 43.048 1.00 10.00 O ATOM 0 H GLU A 28 17.130 23.778 40.445 1.00 10.00 H new ATOM 0 HA GLU A 28 14.537 23.134 41.483 1.00 10.00 H new ATOM 0 HB2 GLU A 28 17.335 23.131 42.741 1.00 10.00 H new ATOM 0 HB3 GLU A 28 15.910 22.455 43.505 1.00 10.00 H new ATOM 0 HG2 GLU A 28 16.935 21.340 40.845 1.00 10.00 H new ATOM 0 HG3 GLU A 28 17.570 20.779 42.379 1.00 10.00 H new ATOM 412 N ASN A 29 15.747 26.038 42.333 1.00 10.00 N ATOM 413 CA ASN A 29 15.803 27.302 43.212 1.00 10.00 C ATOM 414 C ASN A 29 14.643 28.229 43.055 1.00 10.00 C ATOM 415 O ASN A 29 13.856 28.275 44.050 1.00 10.00 O ATOM 416 CB ASN A 29 17.075 28.041 42.871 1.00 10.00 C ATOM 417 CG ASN A 29 17.458 29.115 43.883 1.00 10.00 C ATOM 418 OD1 ASN A 29 16.897 29.402 44.906 1.00 10.00 O ATOM 419 ND2 ASN A 29 18.561 29.731 43.598 1.00 10.00 N ATOM 420 OXT ASN A 29 14.522 28.849 41.970 1.00 10.00 O ATOM 0 H ASN A 29 16.196 26.205 41.433 1.00 10.00 H new ATOM 0 HA ASN A 29 15.770 26.969 44.249 1.00 10.00 H new ATOM 0 HB2 ASN A 29 17.891 27.322 42.793 1.00 10.00 H new ATOM 0 HB3 ASN A 29 16.963 28.504 41.890 1.00 10.00 H new ATOM 0 HD21 ASN A 29 18.930 30.437 44.235 1.00 10.00 H new ATOM 0 HD22 ASN A 29 19.061 29.510 42.737 1.00 10.00 H new TER 427 ASN A 29