USER MOD reduce.3.24.130724 H: found=0, std=0, add=188, rem=0, adj=6 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 -50:sc= 1.15 USER MOD Single : A 10 SER OG : rot 85:sc= 1.13 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+ -150:sc= 0.502 (180deg=0.312) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 3 36.564 16.564 17.986 1.00 10.00 N ATOM 19 CA ASP A 3 36.835 17.697 18.854 1.00 10.00 C ATOM 20 C ASP A 3 37.378 18.918 18.213 1.00 10.00 C ATOM 21 O ASP A 3 37.356 19.953 18.871 1.00 10.00 O ATOM 22 CB ASP A 3 37.660 17.205 20.013 1.00 10.00 C ATOM 23 CG ASP A 3 37.471 17.970 21.391 1.00 10.00 C ATOM 24 OD1 ASP A 3 36.408 18.371 21.734 1.00 10.00 O ATOM 25 OD2 ASP A 3 38.369 18.132 22.261 1.00 10.00 O ATOM 0 HA ASP A 3 35.871 18.072 19.198 1.00 10.00 H new ATOM 0 HB2 ASP A 3 37.430 16.152 20.173 1.00 10.00 H new ATOM 0 HB3 ASP A 3 38.712 17.262 19.732 1.00 10.00 H new ATOM 30 N ALA A 4 37.843 18.951 16.895 1.00 10.00 N ATOM 31 CA ALA A 4 38.170 20.204 16.295 1.00 10.00 C ATOM 32 C ALA A 4 36.987 20.888 15.697 1.00 10.00 C ATOM 33 O ALA A 4 36.960 22.070 15.902 1.00 10.00 O ATOM 34 CB ALA A 4 39.313 19.932 15.255 1.00 10.00 C ATOM 0 H ALA A 4 37.975 18.133 16.300 1.00 10.00 H new ATOM 0 HA ALA A 4 38.517 20.904 17.055 1.00 10.00 H new ATOM 0 HB1 ALA A 4 39.595 20.867 14.771 1.00 10.00 H new ATOM 0 HB2 ALA A 4 40.179 19.513 15.767 1.00 10.00 H new ATOM 0 HB3 ALA A 4 38.960 19.226 14.503 1.00 10.00 H new ATOM 40 N ALA A 5 35.938 20.118 15.234 1.00 10.00 N ATOM 41 CA ALA A 5 34.630 20.718 14.837 1.00 10.00 C ATOM 42 C ALA A 5 33.947 21.309 16.107 1.00 10.00 C ATOM 43 O ALA A 5 33.136 22.265 16.086 1.00 10.00 O ATOM 44 CB ALA A 5 33.791 19.593 14.217 1.00 10.00 C ATOM 0 H ALA A 5 35.981 19.104 15.132 1.00 10.00 H new ATOM 0 HA ALA A 5 34.746 21.525 14.114 1.00 10.00 H new ATOM 0 HB1 ALA A 5 32.822 19.988 13.911 1.00 10.00 H new ATOM 0 HB2 ALA A 5 34.309 19.189 13.347 1.00 10.00 H new ATOM 0 HB3 ALA A 5 33.644 18.801 14.952 1.00 10.00 H new ATOM 50 N VAL A 6 34.123 20.674 17.267 1.00 10.00 N ATOM 51 CA VAL A 6 33.584 21.148 18.572 1.00 10.00 C ATOM 52 C VAL A 6 34.529 22.160 19.268 1.00 10.00 C ATOM 53 O VAL A 6 34.497 22.437 20.421 1.00 10.00 O ATOM 54 CB VAL A 6 33.282 19.914 19.389 1.00 10.00 C ATOM 55 CG1 VAL A 6 32.248 20.082 20.599 1.00 10.00 C ATOM 56 CG2 VAL A 6 32.585 18.849 18.570 1.00 10.00 C ATOM 0 H VAL A 6 34.649 19.803 17.343 1.00 10.00 H new ATOM 0 HA VAL A 6 32.667 21.721 18.437 1.00 10.00 H new ATOM 0 HB VAL A 6 34.282 19.673 19.749 1.00 10.00 H new ATOM 0 HG11 VAL A 6 32.119 19.124 21.103 1.00 10.00 H new ATOM 0 HG12 VAL A 6 32.633 20.816 21.307 1.00 10.00 H new ATOM 0 HG13 VAL A 6 31.287 20.420 20.212 1.00 10.00 H new ATOM 0 HG21 VAL A 6 32.387 17.980 19.197 1.00 10.00 H new ATOM 0 HG22 VAL A 6 31.643 19.243 18.187 1.00 10.00 H new ATOM 0 HG23 VAL A 6 33.222 18.557 17.735 1.00 10.00 H new ATOM 66 N ASP A 7 35.465 22.748 18.496 1.00 10.00 N ATOM 67 CA ASP A 7 36.486 23.786 18.783 1.00 10.00 C ATOM 68 C ASP A 7 37.408 23.619 19.977 1.00 10.00 C ATOM 69 O ASP A 7 37.571 24.505 20.808 1.00 10.00 O ATOM 70 CB ASP A 7 35.741 25.153 18.637 1.00 10.00 C ATOM 71 CG ASP A 7 36.803 26.304 18.510 1.00 10.00 C ATOM 72 OD1 ASP A 7 37.788 26.128 17.774 1.00 10.00 O ATOM 73 OD2 ASP A 7 36.535 27.437 19.015 1.00 10.00 O ATOM 0 H ASP A 7 35.534 22.468 17.518 1.00 10.00 H new ATOM 0 HA ASP A 7 37.294 23.692 18.058 1.00 10.00 H new ATOM 0 HB2 ASP A 7 35.095 25.138 17.759 1.00 10.00 H new ATOM 0 HB3 ASP A 7 35.100 25.326 19.501 1.00 10.00 H new ATOM 78 N THR A 8 37.970 22.378 20.028 1.00 10.00 N ATOM 79 CA THR A 8 38.782 21.832 21.117 1.00 10.00 C ATOM 80 C THR A 8 38.089 21.838 22.512 1.00 10.00 C ATOM 81 O THR A 8 38.603 22.320 23.509 1.00 10.00 O ATOM 82 CB THR A 8 40.185 22.435 21.153 1.00 10.00 C ATOM 83 OG1 THR A 8 40.710 22.574 19.809 1.00 10.00 O ATOM 84 CG2 THR A 8 41.177 21.559 21.808 1.00 10.00 C ATOM 0 H THR A 8 37.854 21.711 19.265 1.00 10.00 H new ATOM 0 HA THR A 8 38.893 20.775 20.877 1.00 10.00 H new ATOM 0 HB THR A 8 40.063 23.377 21.688 1.00 10.00 H new ATOM 0 HG1 THR A 8 41.609 22.963 19.847 1.00 10.00 H new ATOM 0 HG21 THR A 8 42.153 22.045 21.801 1.00 10.00 H new ATOM 0 HG22 THR A 8 40.873 21.371 22.838 1.00 10.00 H new ATOM 0 HG23 THR A 8 41.239 20.613 21.270 1.00 10.00 H new ATOM 92 N SER A 9 36.896 21.150 22.557 1.00 10.00 N ATOM 93 CA SER A 9 35.984 21.167 23.759 1.00 10.00 C ATOM 94 C SER A 9 36.740 20.565 24.944 1.00 10.00 C ATOM 95 O SER A 9 36.532 20.915 26.086 1.00 10.00 O ATOM 96 CB SER A 9 34.603 20.583 23.496 1.00 10.00 C ATOM 97 OG SER A 9 34.624 19.188 23.366 1.00 10.00 O ATOM 0 H SER A 9 36.547 20.583 21.784 1.00 10.00 H new ATOM 0 HA SER A 9 35.734 22.197 24.013 1.00 10.00 H new ATOM 0 HB2 SER A 9 33.935 20.858 24.312 1.00 10.00 H new ATOM 0 HB3 SER A 9 34.194 21.023 22.587 1.00 10.00 H new ATOM 0 HG SER A 9 35.323 18.929 22.730 1.00 10.00 H new ATOM 103 N SER A 10 37.690 19.628 24.771 1.00 10.00 N ATOM 104 CA SER A 10 38.453 18.955 25.889 1.00 10.00 C ATOM 105 C SER A 10 39.289 20.009 26.712 1.00 10.00 C ATOM 106 O SER A 10 39.671 19.676 27.848 1.00 10.00 O ATOM 107 CB SER A 10 39.275 17.791 25.356 1.00 10.00 C ATOM 108 OG SER A 10 38.386 16.883 24.714 1.00 10.00 O ATOM 0 H SER A 10 37.968 19.298 23.847 1.00 10.00 H new ATOM 0 HA SER A 10 37.748 18.520 26.597 1.00 10.00 H new ATOM 0 HB2 SER A 10 40.029 18.147 24.654 1.00 10.00 H new ATOM 0 HB3 SER A 10 39.805 17.295 26.169 1.00 10.00 H new ATOM 0 HG SER A 10 38.242 17.166 23.787 1.00 10.00 H new ATOM 114 N GLU A 11 39.551 21.220 26.234 1.00 10.00 N ATOM 115 CA GLU A 11 40.061 22.340 27.042 1.00 10.00 C ATOM 116 C GLU A 11 39.025 22.897 27.951 1.00 10.00 C ATOM 117 O GLU A 11 39.275 22.958 29.175 1.00 10.00 O ATOM 118 CB GLU A 11 40.648 23.356 26.032 1.00 10.00 C ATOM 119 CG GLU A 11 41.883 22.938 25.205 1.00 10.00 C ATOM 120 CD GLU A 11 42.408 24.249 24.615 1.00 10.00 C ATOM 121 OE1 GLU A 11 43.251 24.964 25.229 1.00 10.00 O ATOM 122 OE2 GLU A 11 42.017 24.649 23.483 1.00 10.00 O ATOM 0 H GLU A 11 39.414 21.464 25.253 1.00 10.00 H new ATOM 0 HA GLU A 11 40.841 22.023 27.734 1.00 10.00 H new ATOM 0 HB2 GLU A 11 39.856 23.625 25.333 1.00 10.00 H new ATOM 0 HB3 GLU A 11 40.908 24.260 26.583 1.00 10.00 H new ATOM 0 HG2 GLU A 11 42.634 22.454 25.829 1.00 10.00 H new ATOM 0 HG3 GLU A 11 41.615 22.229 24.422 1.00 10.00 H new ATOM 129 N ILE A 12 37.871 23.276 27.405 1.00 10.00 N ATOM 130 CA ILE A 12 36.869 24.014 28.096 1.00 10.00 C ATOM 131 C ILE A 12 35.895 23.231 28.966 1.00 10.00 C ATOM 132 O ILE A 12 35.326 23.872 29.857 1.00 10.00 O ATOM 133 CB ILE A 12 36.013 24.942 27.175 1.00 10.00 C ATOM 134 CG1 ILE A 12 35.237 24.028 26.212 1.00 10.00 C ATOM 135 CG2 ILE A 12 36.805 26.208 26.760 1.00 10.00 C ATOM 136 CD1 ILE A 12 33.965 24.644 25.713 1.00 10.00 C ATOM 0 H ILE A 12 37.620 23.061 26.440 1.00 10.00 H new ATOM 0 HA ILE A 12 37.508 24.594 28.762 1.00 10.00 H new ATOM 0 HB ILE A 12 35.189 25.494 27.628 1.00 10.00 H new ATOM 0 HG12 ILE A 12 35.873 23.783 25.361 1.00 10.00 H new ATOM 0 HG13 ILE A 12 35.006 23.090 26.718 1.00 10.00 H new ATOM 0 HG21 ILE A 12 36.182 26.833 26.120 1.00 10.00 H new ATOM 0 HG22 ILE A 12 37.087 26.769 27.651 1.00 10.00 H new ATOM 0 HG23 ILE A 12 37.703 25.914 26.217 1.00 10.00 H new ATOM 0 HD11 ILE A 12 33.465 23.949 25.038 1.00 10.00 H new ATOM 0 HD12 ILE A 12 33.312 24.864 26.557 1.00 10.00 H new ATOM 0 HD13 ILE A 12 34.192 25.567 25.180 1.00 10.00 H new ATOM 148 N THR A 13 35.746 21.905 28.778 1.00 10.00 N ATOM 149 CA THR A 13 34.756 20.977 29.455 1.00 10.00 C ATOM 150 C THR A 13 34.431 21.296 30.943 1.00 10.00 C ATOM 151 O THR A 13 33.248 21.429 31.177 1.00 10.00 O ATOM 152 CB THR A 13 35.067 19.534 29.182 1.00 10.00 C ATOM 153 OG1 THR A 13 34.259 18.707 29.871 1.00 10.00 O ATOM 154 CG2 THR A 13 36.551 19.184 29.394 1.00 10.00 C ATOM 0 H THR A 13 36.337 21.402 28.116 1.00 10.00 H new ATOM 0 HA THR A 13 33.801 21.189 28.974 1.00 10.00 H new ATOM 0 HB THR A 13 34.867 19.382 28.121 1.00 10.00 H new ATOM 0 HG1 THR A 13 34.491 17.777 29.666 1.00 10.00 H new ATOM 0 HG21 THR A 13 36.710 18.127 29.180 1.00 10.00 H new ATOM 0 HG22 THR A 13 37.166 19.786 28.725 1.00 10.00 H new ATOM 0 HG23 THR A 13 36.830 19.391 30.427 1.00 10.00 H new ATOM 162 N THR A 14 35.455 21.507 31.788 1.00 10.00 N ATOM 163 CA THR A 14 35.263 21.864 33.184 1.00 10.00 C ATOM 164 C THR A 14 34.325 23.132 33.254 1.00 10.00 C ATOM 165 O THR A 14 33.369 23.205 34.038 1.00 10.00 O ATOM 166 CB THR A 14 36.583 22.163 33.937 1.00 10.00 C ATOM 167 OG1 THR A 14 37.312 21.007 34.088 1.00 10.00 O ATOM 168 CG2 THR A 14 36.340 22.849 35.245 1.00 10.00 C ATOM 0 H THR A 14 36.434 21.432 31.512 1.00 10.00 H new ATOM 0 HA THR A 14 34.815 21.002 33.678 1.00 10.00 H new ATOM 0 HB THR A 14 37.168 22.859 33.336 1.00 10.00 H new ATOM 0 HG1 THR A 14 38.146 21.206 34.563 1.00 10.00 H new ATOM 0 HG21 THR A 14 37.293 23.039 35.739 1.00 10.00 H new ATOM 0 HG22 THR A 14 35.827 23.795 35.070 1.00 10.00 H new ATOM 0 HG23 THR A 14 35.723 22.213 35.880 1.00 10.00 H new ATOM 176 N LYS A 15 34.539 24.136 32.431 1.00 10.00 N ATOM 177 CA LYS A 15 33.706 25.352 32.431 1.00 10.00 C ATOM 178 C LYS A 15 32.275 25.093 31.967 1.00 10.00 C ATOM 179 O LYS A 15 31.317 25.479 32.676 1.00 10.00 O ATOM 180 CB LYS A 15 34.325 26.407 31.464 1.00 10.00 C ATOM 181 CG LYS A 15 35.745 26.948 31.750 1.00 10.00 C ATOM 182 CD LYS A 15 36.142 27.763 30.507 1.00 10.00 C ATOM 183 CE LYS A 15 37.621 28.157 30.689 1.00 10.00 C ATOM 184 NZ LYS A 15 38.097 29.231 29.754 1.00 10.00 N ATOM 0 H LYS A 15 35.289 24.147 31.740 1.00 10.00 H new ATOM 0 HA LYS A 15 33.678 25.707 33.461 1.00 10.00 H new ATOM 0 HB2 LYS A 15 34.335 25.971 30.465 1.00 10.00 H new ATOM 0 HB3 LYS A 15 33.648 27.261 31.433 1.00 10.00 H new ATOM 0 HG2 LYS A 15 35.753 27.571 32.645 1.00 10.00 H new ATOM 0 HG3 LYS A 15 36.447 26.132 31.923 1.00 10.00 H new ATOM 0 HD2 LYS A 15 36.007 27.175 29.599 1.00 10.00 H new ATOM 0 HD3 LYS A 15 35.515 28.649 30.409 1.00 10.00 H new ATOM 0 HE2 LYS A 15 37.771 28.493 31.715 1.00 10.00 H new ATOM 0 HE3 LYS A 15 38.240 27.271 30.550 1.00 10.00 H new ATOM 0 HZ1 LYS A 15 39.099 29.436 29.942 1.00 10.00 H new ATOM 0 HZ2 LYS A 15 37.988 28.909 28.771 1.00 10.00 H new ATOM 0 HZ3 LYS A 15 37.534 30.093 29.900 1.00 10.00 H new ATOM 198 N ASP A 16 32.197 24.216 31.010 1.00 10.00 N ATOM 199 CA ASP A 16 30.847 23.670 30.594 1.00 10.00 C ATOM 200 C ASP A 16 30.227 22.765 31.680 1.00 10.00 C ATOM 201 O ASP A 16 29.048 22.862 31.790 1.00 10.00 O ATOM 202 CB ASP A 16 30.954 22.902 29.317 1.00 10.00 C ATOM 203 CG ASP A 16 29.620 22.466 28.800 1.00 10.00 C ATOM 204 OD1 ASP A 16 28.855 23.301 28.281 1.00 10.00 O ATOM 205 OD2 ASP A 16 29.371 21.198 28.996 1.00 10.00 O ATOM 0 H ASP A 16 32.994 23.846 30.492 1.00 10.00 H new ATOM 0 HA ASP A 16 30.194 24.531 30.450 1.00 10.00 H new ATOM 0 HB2 ASP A 16 31.448 23.518 28.566 1.00 10.00 H new ATOM 0 HB3 ASP A 16 31.583 22.026 29.475 1.00 10.00 H new ATOM 210 N LEU A 17 30.960 22.081 32.568 1.00 10.00 N ATOM 211 CA LEU A 17 30.305 21.361 33.650 1.00 10.00 C ATOM 212 C LEU A 17 29.865 22.245 34.812 1.00 10.00 C ATOM 213 O LEU A 17 28.977 21.863 35.541 1.00 10.00 O ATOM 214 CB LEU A 17 31.105 20.124 34.031 1.00 10.00 C ATOM 215 CG LEU A 17 30.821 18.966 33.153 1.00 10.00 C ATOM 216 CD1 LEU A 17 31.857 17.875 33.528 1.00 10.00 C ATOM 217 CD2 LEU A 17 29.374 18.423 33.446 1.00 10.00 C ATOM 0 H LEU A 17 31.978 22.015 32.556 1.00 10.00 H new ATOM 0 HA LEU A 17 29.348 20.997 33.276 1.00 10.00 H new ATOM 0 HB2 LEU A 17 32.169 20.356 33.986 1.00 10.00 H new ATOM 0 HB3 LEU A 17 30.881 19.855 35.063 1.00 10.00 H new ATOM 0 HG LEU A 17 30.883 19.241 32.100 1.00 10.00 H new ATOM 0 HD11 LEU A 17 31.696 16.992 32.910 1.00 10.00 H new ATOM 0 HD12 LEU A 17 32.864 18.257 33.360 1.00 10.00 H new ATOM 0 HD13 LEU A 17 31.740 17.608 34.578 1.00 10.00 H new ATOM 0 HD21 LEU A 17 29.167 17.571 32.799 1.00 10.00 H new ATOM 0 HD22 LEU A 17 29.306 18.112 34.488 1.00 10.00 H new ATOM 0 HD23 LEU A 17 28.644 19.210 33.254 1.00 10.00 H new ATOM 229 N LYS A 18 30.456 23.423 34.969 1.00 10.00 N ATOM 230 CA LYS A 18 29.974 24.354 35.942 1.00 10.00 C ATOM 231 C LYS A 18 28.811 25.193 35.480 1.00 10.00 C ATOM 232 O LYS A 18 28.133 25.841 36.330 1.00 10.00 O ATOM 233 CB LYS A 18 31.064 25.222 36.503 1.00 10.00 C ATOM 234 CG LYS A 18 31.705 24.669 37.764 1.00 10.00 C ATOM 235 CD LYS A 18 32.519 23.416 37.399 1.00 10.00 C ATOM 236 CE LYS A 18 33.720 23.138 38.284 1.00 10.00 C ATOM 237 NZ LYS A 18 33.355 22.791 39.685 1.00 10.00 N ATOM 0 H LYS A 18 31.263 23.741 34.432 1.00 10.00 H new ATOM 0 HA LYS A 18 29.594 23.721 36.744 1.00 10.00 H new ATOM 0 HB2 LYS A 18 31.835 25.356 35.744 1.00 10.00 H new ATOM 0 HB3 LYS A 18 30.654 26.209 36.718 1.00 10.00 H new ATOM 0 HG2 LYS A 18 32.351 25.420 38.219 1.00 10.00 H new ATOM 0 HG3 LYS A 18 30.939 24.421 38.499 1.00 10.00 H new ATOM 0 HD2 LYS A 18 31.857 22.551 37.432 1.00 10.00 H new ATOM 0 HD3 LYS A 18 32.863 23.514 36.369 1.00 10.00 H new ATOM 0 HE2 LYS A 18 34.297 22.320 37.854 1.00 10.00 H new ATOM 0 HE3 LYS A 18 34.367 24.015 38.292 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 34.220 22.613 40.235 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 32.829 23.580 40.112 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 32.761 21.937 39.688 1.00 10.00 H new ATOM 251 N GLU A 19 28.678 25.217 34.132 1.00 10.00 N ATOM 252 CA GLU A 19 27.505 25.684 33.518 1.00 10.00 C ATOM 253 C GLU A 19 26.382 24.764 33.953 1.00 10.00 C ATOM 254 O GLU A 19 25.356 25.073 34.637 1.00 10.00 O ATOM 255 CB GLU A 19 27.608 25.514 31.961 1.00 10.00 C ATOM 256 CG GLU A 19 26.594 26.455 31.276 1.00 10.00 C ATOM 257 CD GLU A 19 26.193 25.961 29.831 1.00 10.00 C ATOM 258 OE1 GLU A 19 25.553 24.871 29.736 1.00 10.00 O ATOM 259 OE2 GLU A 19 26.372 26.797 28.928 1.00 10.00 O ATOM 0 H GLU A 19 29.400 24.906 33.482 1.00 10.00 H new ATOM 0 HA GLU A 19 27.345 26.729 33.785 1.00 10.00 H new ATOM 0 HB2 GLU A 19 28.619 25.744 31.625 1.00 10.00 H new ATOM 0 HB3 GLU A 19 27.407 24.480 31.683 1.00 10.00 H new ATOM 0 HG2 GLU A 19 25.698 26.530 31.893 1.00 10.00 H new ATOM 0 HG3 GLU A 19 27.020 27.456 31.209 1.00 10.00 H new ATOM 266 N LYS A 20 26.684 23.447 33.756 1.00 10.00 N ATOM 267 CA LYS A 20 25.637 22.367 33.872 1.00 10.00 C ATOM 268 C LYS A 20 25.163 22.032 35.286 1.00 10.00 C ATOM 269 O LYS A 20 24.114 21.396 35.422 1.00 10.00 O ATOM 270 CB LYS A 20 26.154 21.174 33.140 1.00 10.00 C ATOM 271 CG LYS A 20 26.292 21.183 31.595 1.00 10.00 C ATOM 272 CD LYS A 20 25.024 21.597 30.893 1.00 10.00 C ATOM 273 CE LYS A 20 25.284 21.504 29.379 1.00 10.00 C ATOM 274 NZ LYS A 20 26.301 22.417 28.868 1.00 10.00 N ATOM 0 H LYS A 20 27.616 23.106 33.522 1.00 10.00 H new ATOM 0 HA LYS A 20 24.720 22.747 33.423 1.00 10.00 H new ATOM 0 HB2 LYS A 20 27.140 20.952 33.547 1.00 10.00 H new ATOM 0 HB3 LYS A 20 25.507 20.336 33.398 1.00 10.00 H new ATOM 0 HG2 LYS A 20 27.096 21.862 31.311 1.00 10.00 H new ATOM 0 HG3 LYS A 20 26.580 20.188 31.256 1.00 10.00 H new ATOM 0 HD2 LYS A 20 24.197 20.948 31.181 1.00 10.00 H new ATOM 0 HD3 LYS A 20 24.745 22.613 31.173 1.00 10.00 H new ATOM 0 HE2 LYS A 20 25.581 20.483 29.139 1.00 10.00 H new ATOM 0 HE3 LYS A 20 24.349 21.696 28.853 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 26.079 22.668 27.883 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 26.317 23.279 29.450 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 27.232 21.956 28.906 1.00 10.00 H new ATOM 288 N LYS A 21 25.917 22.406 36.311 1.00 10.00 N ATOM 289 CA LYS A 21 25.625 22.399 37.749 1.00 10.00 C ATOM 290 C LYS A 21 25.052 23.740 38.283 1.00 10.00 C ATOM 291 O LYS A 21 24.251 23.756 39.223 1.00 10.00 O ATOM 292 CB LYS A 21 26.896 21.945 38.505 1.00 10.00 C ATOM 293 CG LYS A 21 27.336 20.505 38.292 1.00 10.00 C ATOM 294 CD LYS A 21 28.623 20.170 39.031 1.00 10.00 C ATOM 295 CE LYS A 21 29.067 18.737 38.683 1.00 10.00 C ATOM 296 NZ LYS A 21 28.371 17.662 39.377 1.00 10.00 N ATOM 0 H LYS A 21 26.857 22.764 36.141 1.00 10.00 H new ATOM 0 HA LYS A 21 24.819 21.688 37.931 1.00 10.00 H new ATOM 0 HB2 LYS A 21 27.718 22.599 38.214 1.00 10.00 H new ATOM 0 HB3 LYS A 21 26.731 22.097 39.572 1.00 10.00 H new ATOM 0 HG2 LYS A 21 26.545 19.834 38.626 1.00 10.00 H new ATOM 0 HG3 LYS A 21 27.477 20.326 37.226 1.00 10.00 H new ATOM 0 HD2 LYS A 21 29.405 20.879 38.758 1.00 10.00 H new ATOM 0 HD3 LYS A 21 28.470 20.262 40.106 1.00 10.00 H new ATOM 0 HE2 LYS A 21 28.941 18.590 37.610 1.00 10.00 H new ATOM 0 HE3 LYS A 21 30.133 18.648 38.894 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 28.750 16.745 39.066 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 28.510 17.764 40.403 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 27.355 17.708 39.159 1.00 10.00 H new ATOM 310 N GLU A 22 25.318 24.862 37.619 1.00 10.00 N ATOM 311 CA GLU A 22 24.944 26.179 38.170 1.00 10.00 C ATOM 312 C GLU A 22 23.608 26.571 37.575 1.00 10.00 C ATOM 313 O GLU A 22 22.767 27.215 38.202 1.00 10.00 O ATOM 314 CB GLU A 22 26.039 27.207 37.914 1.00 10.00 C ATOM 315 CG GLU A 22 25.669 28.561 38.455 1.00 10.00 C ATOM 316 CD GLU A 22 26.200 28.815 39.885 1.00 10.00 C ATOM 317 OE1 GLU A 22 27.425 28.961 40.030 1.00 10.00 O ATOM 318 OE2 GLU A 22 25.381 28.842 40.817 1.00 10.00 O ATOM 0 H GLU A 22 25.783 24.896 36.712 1.00 10.00 H new ATOM 0 HA GLU A 22 24.840 26.131 39.254 1.00 10.00 H new ATOM 0 HB2 GLU A 22 26.968 26.872 38.376 1.00 10.00 H new ATOM 0 HB3 GLU A 22 26.225 27.282 36.843 1.00 10.00 H new ATOM 0 HG2 GLU A 22 26.059 29.330 37.788 1.00 10.00 H new ATOM 0 HG3 GLU A 22 24.584 28.660 38.455 1.00 10.00 H new ATOM 325 N VAL A 23 23.378 26.254 36.271 1.00 10.00 N ATOM 326 CA VAL A 23 22.127 26.197 35.537 1.00 10.00 C ATOM 327 C VAL A 23 21.183 25.322 36.271 1.00 10.00 C ATOM 328 O VAL A 23 20.060 25.665 36.505 1.00 10.00 O ATOM 329 CB VAL A 23 22.318 25.672 34.108 1.00 10.00 C ATOM 330 CG1 VAL A 23 22.647 24.174 33.848 1.00 10.00 C ATOM 331 CG2 VAL A 23 21.226 25.941 33.157 1.00 10.00 C ATOM 0 H VAL A 23 24.160 26.010 35.664 1.00 10.00 H new ATOM 0 HA VAL A 23 21.731 27.210 35.458 1.00 10.00 H new ATOM 0 HB VAL A 23 23.214 26.272 33.946 1.00 10.00 H new ATOM 0 HG11 VAL A 23 22.743 24.003 32.776 1.00 10.00 H new ATOM 0 HG12 VAL A 23 23.584 23.916 34.342 1.00 10.00 H new ATOM 0 HG13 VAL A 23 21.845 23.551 34.244 1.00 10.00 H new ATOM 0 HG21 VAL A 23 21.479 25.521 32.184 1.00 10.00 H new ATOM 0 HG22 VAL A 23 20.306 25.484 33.521 1.00 10.00 H new ATOM 0 HG23 VAL A 23 21.084 27.017 33.062 1.00 10.00 H new ATOM 341 N VAL A 24 21.661 24.110 36.700 1.00 10.00 N ATOM 342 CA VAL A 24 20.865 23.123 37.420 1.00 10.00 C ATOM 343 C VAL A 24 20.510 23.428 38.870 1.00 10.00 C ATOM 344 O VAL A 24 19.427 22.922 39.277 1.00 10.00 O ATOM 345 CB VAL A 24 21.387 21.669 36.983 1.00 10.00 C ATOM 346 CG1 VAL A 24 22.233 20.954 37.955 1.00 10.00 C ATOM 347 CG2 VAL A 24 20.315 20.815 36.384 1.00 10.00 C ATOM 0 H VAL A 24 22.623 23.811 36.542 1.00 10.00 H new ATOM 0 HA VAL A 24 19.819 23.170 37.116 1.00 10.00 H new ATOM 0 HB VAL A 24 22.092 21.896 36.183 1.00 10.00 H new ATOM 0 HG11 VAL A 24 22.521 19.986 37.544 1.00 10.00 H new ATOM 0 HG12 VAL A 24 23.128 21.542 38.160 1.00 10.00 H new ATOM 0 HG13 VAL A 24 21.677 20.804 38.881 1.00 10.00 H new ATOM 0 HG21 VAL A 24 20.732 19.846 36.110 1.00 10.00 H new ATOM 0 HG22 VAL A 24 19.515 20.673 37.110 1.00 10.00 H new ATOM 0 HG23 VAL A 24 19.916 21.303 35.495 1.00 10.00 H new ATOM 357 N GLU A 25 21.374 24.075 39.636 1.00 10.00 N ATOM 358 CA GLU A 25 21.040 24.458 41.039 1.00 10.00 C ATOM 359 C GLU A 25 19.975 25.520 41.084 1.00 10.00 C ATOM 360 O GLU A 25 19.029 25.558 41.848 1.00 10.00 O ATOM 361 CB GLU A 25 22.378 24.909 41.791 1.00 10.00 C ATOM 362 CG GLU A 25 22.091 25.263 43.231 1.00 10.00 C ATOM 363 CD GLU A 25 23.392 25.242 44.049 1.00 10.00 C ATOM 364 OE1 GLU A 25 24.305 25.954 43.614 1.00 10.00 O ATOM 365 OE2 GLU A 25 23.431 24.648 45.141 1.00 10.00 O ATOM 0 H GLU A 25 22.308 24.353 39.333 1.00 10.00 H new ATOM 0 HA GLU A 25 20.624 23.595 41.559 1.00 10.00 H new ATOM 0 HB2 GLU A 25 23.113 24.105 41.749 1.00 10.00 H new ATOM 0 HB3 GLU A 25 22.815 25.767 41.281 1.00 10.00 H new ATOM 0 HG2 GLU A 25 21.633 26.251 43.287 1.00 10.00 H new ATOM 0 HG3 GLU A 25 21.376 24.556 43.652 1.00 10.00 H new ATOM 372 N GLU A 26 20.016 26.471 40.094 1.00 10.00 N ATOM 373 CA GLU A 26 18.940 27.427 39.759 1.00 10.00 C ATOM 374 C GLU A 26 17.659 26.775 39.169 1.00 10.00 C ATOM 375 O GLU A 26 16.552 27.262 39.283 1.00 10.00 O ATOM 376 CB GLU A 26 19.533 28.708 39.077 1.00 10.00 C ATOM 377 CG GLU A 26 18.519 29.564 38.276 1.00 10.00 C ATOM 378 CD GLU A 26 19.059 30.905 37.809 1.00 10.00 C ATOM 379 OE1 GLU A 26 20.090 30.929 37.053 1.00 10.00 O ATOM 380 OE2 GLU A 26 18.496 31.993 38.169 1.00 10.00 O ATOM 0 H GLU A 26 20.834 26.585 39.495 1.00 10.00 H new ATOM 0 HA GLU A 26 18.500 27.816 40.677 1.00 10.00 H new ATOM 0 HB2 GLU A 26 19.983 29.334 39.848 1.00 10.00 H new ATOM 0 HB3 GLU A 26 20.336 28.403 38.406 1.00 10.00 H new ATOM 0 HG2 GLU A 26 18.190 28.996 37.406 1.00 10.00 H new ATOM 0 HG3 GLU A 26 17.639 29.736 38.895 1.00 10.00 H new ATOM 387 N ALA A 27 17.750 25.576 38.560 1.00 10.00 N ATOM 388 CA ALA A 27 16.647 24.729 38.136 1.00 10.00 C ATOM 389 C ALA A 27 15.963 23.749 39.129 1.00 10.00 C ATOM 390 O ALA A 27 14.814 23.509 39.039 1.00 10.00 O ATOM 391 CB ALA A 27 17.070 23.976 36.945 1.00 10.00 C ATOM 0 H ALA A 27 18.656 25.159 38.344 1.00 10.00 H new ATOM 0 HA ALA A 27 15.855 25.461 37.978 1.00 10.00 H new ATOM 0 HB1 ALA A 27 16.255 23.334 36.612 1.00 10.00 H new ATOM 0 HB2 ALA A 27 17.332 24.672 36.148 1.00 10.00 H new ATOM 0 HB3 ALA A 27 17.937 23.363 37.191 1.00 10.00 H new