USER MOD reduce.3.24.130724 H: found=0, std=0, add=209, rem=0, adj=7 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 -81:sc= 1.17 USER MOD Single : A 10 SER OG : rot 95:sc= 1.25 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+ 179:sc= 0.62 (180deg=0.62) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 1 33.784 10.868 18.890 1.00 10.00 C HETATM 2 O ACE A 1 34.271 11.724 18.154 1.00 10.00 O HETATM 3 CH3 ACE A 1 34.681 9.803 19.599 1.00 10.00 C HETATM 0 H1 ACE A 1 34.569 9.894 20.679 1.00 10.00 H new HETATM 0 H2 ACE A 1 34.377 8.804 19.285 1.00 10.00 H new HETATM 0 H3 ACE A 1 35.724 9.967 19.328 1.00 10.00 H new ATOM 7 N SER A 2 32.488 10.866 19.128 1.00 10.00 N ATOM 8 CA SER A 2 31.507 11.885 18.646 1.00 10.00 C ATOM 9 C SER A 2 31.688 13.380 19.028 1.00 10.00 C ATOM 10 O SER A 2 31.090 14.228 18.331 1.00 10.00 O ATOM 11 CB SER A 2 30.121 11.356 19.013 1.00 10.00 C ATOM 12 OG SER A 2 29.740 10.093 18.457 1.00 10.00 O ATOM 0 H SER A 2 32.046 10.134 19.684 1.00 10.00 H new ATOM 0 HA SER A 2 31.685 11.972 17.574 1.00 10.00 H new ATOM 0 HB2 SER A 2 30.064 11.279 20.099 1.00 10.00 H new ATOM 0 HB3 SER A 2 29.383 12.098 18.707 1.00 10.00 H new ATOM 0 HG SER A 2 28.839 9.859 18.763 1.00 10.00 H new ATOM 18 N ASP A 3 32.678 13.624 19.924 1.00 10.00 N ATOM 19 CA ASP A 3 32.939 15.012 20.383 1.00 10.00 C ATOM 20 C ASP A 3 33.382 15.980 19.261 1.00 10.00 C ATOM 21 O ASP A 3 33.430 17.192 19.381 1.00 10.00 O ATOM 22 CB ASP A 3 33.886 14.901 21.592 1.00 10.00 C ATOM 23 CG ASP A 3 34.091 16.257 22.356 1.00 10.00 C ATOM 24 OD1 ASP A 3 33.057 16.967 22.586 1.00 10.00 O ATOM 25 OD2 ASP A 3 35.231 16.506 22.846 1.00 10.00 O ATOM 0 H ASP A 3 33.285 12.911 20.329 1.00 10.00 H new ATOM 0 HA ASP A 3 32.016 15.497 20.700 1.00 10.00 H new ATOM 0 HB2 ASP A 3 33.491 14.159 22.286 1.00 10.00 H new ATOM 0 HB3 ASP A 3 34.855 14.535 21.252 1.00 10.00 H new ATOM 30 N ALA A 4 33.760 15.391 18.129 1.00 10.00 N ATOM 31 CA ALA A 4 34.009 16.137 16.999 1.00 10.00 C ATOM 32 C ALA A 4 32.877 16.900 16.418 1.00 10.00 C ATOM 33 O ALA A 4 33.035 18.069 15.936 1.00 10.00 O ATOM 34 CB ALA A 4 34.580 15.092 15.894 1.00 10.00 C ATOM 0 H ALA A 4 33.889 14.385 18.017 1.00 10.00 H new ATOM 0 HA ALA A 4 34.704 16.924 17.293 1.00 10.00 H new ATOM 0 HB1 ALA A 4 34.798 15.625 14.968 1.00 10.00 H new ATOM 0 HB2 ALA A 4 35.492 14.628 16.269 1.00 10.00 H new ATOM 0 HB3 ALA A 4 33.833 14.322 15.702 1.00 10.00 H new ATOM 40 N ALA A 5 31.624 16.373 16.474 1.00 10.00 N ATOM 41 CA ALA A 5 30.417 17.098 16.060 1.00 10.00 C ATOM 42 C ALA A 5 30.139 18.287 17.016 1.00 10.00 C ATOM 43 O ALA A 5 29.291 19.112 16.723 1.00 10.00 O ATOM 44 CB ALA A 5 29.264 16.073 16.139 1.00 10.00 C ATOM 0 H ALA A 5 31.435 15.429 16.811 1.00 10.00 H new ATOM 0 HA ALA A 5 30.526 17.511 15.057 1.00 10.00 H new ATOM 0 HB1 ALA A 5 28.331 16.551 15.842 1.00 10.00 H new ATOM 0 HB2 ALA A 5 29.473 15.238 15.470 1.00 10.00 H new ATOM 0 HB3 ALA A 5 29.174 15.705 17.161 1.00 10.00 H new ATOM 50 N VAL A 6 30.744 18.331 18.215 1.00 10.00 N ATOM 51 CA VAL A 6 30.755 19.379 19.212 1.00 10.00 C ATOM 52 C VAL A 6 32.107 20.134 19.272 1.00 10.00 C ATOM 53 O VAL A 6 32.477 20.810 20.219 1.00 10.00 O ATOM 54 CB VAL A 6 30.254 18.870 20.626 1.00 10.00 C ATOM 55 CG1 VAL A 6 29.686 20.063 21.407 1.00 10.00 C ATOM 56 CG2 VAL A 6 29.186 17.804 20.583 1.00 10.00 C ATOM 0 H VAL A 6 31.297 17.534 18.530 1.00 10.00 H new ATOM 0 HA VAL A 6 30.025 20.122 18.890 1.00 10.00 H new ATOM 0 HB VAL A 6 31.127 18.420 21.099 1.00 10.00 H new ATOM 0 HG11 VAL A 6 29.337 19.726 22.383 1.00 10.00 H new ATOM 0 HG12 VAL A 6 30.464 20.815 21.539 1.00 10.00 H new ATOM 0 HG13 VAL A 6 28.853 20.497 20.854 1.00 10.00 H new ATOM 0 HG21 VAL A 6 28.911 17.523 21.600 1.00 10.00 H new ATOM 0 HG22 VAL A 6 28.309 18.189 20.063 1.00 10.00 H new ATOM 0 HG23 VAL A 6 29.566 16.929 20.055 1.00 10.00 H new ATOM 66 N ASP A 7 32.946 20.073 18.184 1.00 10.00 N ATOM 67 CA ASP A 7 34.059 20.960 17.912 1.00 10.00 C ATOM 68 C ASP A 7 35.216 20.914 18.985 1.00 10.00 C ATOM 69 O ASP A 7 35.829 21.886 19.371 1.00 10.00 O ATOM 70 CB ASP A 7 33.611 22.330 17.387 1.00 10.00 C ATOM 71 CG ASP A 7 34.839 23.209 17.166 1.00 10.00 C ATOM 72 OD1 ASP A 7 35.665 22.903 16.218 1.00 10.00 O ATOM 73 OD2 ASP A 7 35.006 24.226 17.870 1.00 10.00 O ATOM 0 H ASP A 7 32.833 19.362 17.461 1.00 10.00 H new ATOM 0 HA ASP A 7 34.593 20.549 17.055 1.00 10.00 H new ATOM 0 HB2 ASP A 7 33.060 22.213 16.454 1.00 10.00 H new ATOM 0 HB3 ASP A 7 32.934 22.802 18.099 1.00 10.00 H new ATOM 78 N THR A 8 35.428 19.714 19.485 1.00 10.00 N ATOM 79 CA THR A 8 36.352 19.350 20.592 1.00 10.00 C ATOM 80 C THR A 8 35.784 19.919 21.934 1.00 10.00 C ATOM 81 O THR A 8 36.532 20.700 22.535 1.00 10.00 O ATOM 82 CB THR A 8 37.855 19.646 20.314 1.00 10.00 C ATOM 83 OG1 THR A 8 38.227 19.130 19.093 1.00 10.00 O ATOM 84 CG2 THR A 8 38.712 18.971 21.357 1.00 10.00 C ATOM 0 H THR A 8 34.937 18.898 19.119 1.00 10.00 H new ATOM 0 HA THR A 8 36.378 18.264 20.681 1.00 10.00 H new ATOM 0 HB THR A 8 37.991 20.727 20.332 1.00 10.00 H new ATOM 0 HG1 THR A 8 39.174 19.325 18.930 1.00 10.00 H new ATOM 0 HG21 THR A 8 39.762 19.182 21.157 1.00 10.00 H new ATOM 0 HG22 THR A 8 38.448 19.349 22.345 1.00 10.00 H new ATOM 0 HG23 THR A 8 38.545 17.894 21.324 1.00 10.00 H new ATOM 92 N SER A 9 34.518 19.590 22.328 1.00 10.00 N ATOM 93 CA SER A 9 34.054 20.250 23.557 1.00 10.00 C ATOM 94 C SER A 9 34.735 19.850 24.836 1.00 10.00 C ATOM 95 O SER A 9 34.610 20.615 25.773 1.00 10.00 O ATOM 96 CB SER A 9 32.535 19.994 23.664 1.00 10.00 C ATOM 97 OG SER A 9 32.241 18.711 24.229 1.00 10.00 O ATOM 0 H SER A 9 33.875 18.947 21.867 1.00 10.00 H new ATOM 0 HA SER A 9 34.311 21.304 23.456 1.00 10.00 H new ATOM 0 HB2 SER A 9 32.079 20.772 24.277 1.00 10.00 H new ATOM 0 HB3 SER A 9 32.086 20.064 22.673 1.00 10.00 H new ATOM 0 HG SER A 9 32.317 18.023 23.535 1.00 10.00 H new ATOM 103 N SER A 10 35.448 18.671 24.782 1.00 10.00 N ATOM 104 CA SER A 10 36.397 18.336 25.787 1.00 10.00 C ATOM 105 C SER A 10 37.500 19.359 26.077 1.00 10.00 C ATOM 106 O SER A 10 38.276 19.224 27.001 1.00 10.00 O ATOM 107 CB SER A 10 37.178 17.009 25.527 1.00 10.00 C ATOM 108 OG SER A 10 36.204 16.064 25.227 1.00 10.00 O ATOM 0 H SER A 10 35.350 17.976 24.042 1.00 10.00 H new ATOM 0 HA SER A 10 35.713 18.270 26.633 1.00 10.00 H new ATOM 0 HB2 SER A 10 37.883 17.122 24.704 1.00 10.00 H new ATOM 0 HB3 SER A 10 37.756 16.714 26.403 1.00 10.00 H new ATOM 0 HG SER A 10 36.095 16.004 24.255 1.00 10.00 H new ATOM 114 N GLU A 11 37.512 20.462 25.325 1.00 10.00 N ATOM 115 CA GLU A 11 38.409 21.582 25.538 1.00 10.00 C ATOM 116 C GLU A 11 38.038 22.461 26.719 1.00 10.00 C ATOM 117 O GLU A 11 38.913 22.741 27.601 1.00 10.00 O ATOM 118 CB GLU A 11 38.503 22.447 24.278 1.00 10.00 C ATOM 119 CG GLU A 11 39.754 23.365 24.358 1.00 10.00 C ATOM 120 CD GLU A 11 39.815 24.186 23.102 1.00 10.00 C ATOM 121 OE1 GLU A 11 40.205 23.675 21.983 1.00 10.00 O ATOM 122 OE2 GLU A 11 39.349 25.300 23.096 1.00 10.00 O ATOM 0 H GLU A 11 36.881 20.597 24.535 1.00 10.00 H new ATOM 0 HA GLU A 11 39.375 21.134 25.769 1.00 10.00 H new ATOM 0 HB2 GLU A 11 38.563 21.812 23.394 1.00 10.00 H new ATOM 0 HB3 GLU A 11 37.603 23.053 24.174 1.00 10.00 H new ATOM 0 HG2 GLU A 11 39.695 24.013 25.233 1.00 10.00 H new ATOM 0 HG3 GLU A 11 40.659 22.766 24.465 1.00 10.00 H new ATOM 129 N ILE A 12 36.746 22.876 26.695 1.00 10.00 N ATOM 130 CA ILE A 12 36.009 23.672 27.635 1.00 10.00 C ATOM 131 C ILE A 12 35.209 22.899 28.711 1.00 10.00 C ATOM 132 O ILE A 12 34.722 23.544 29.671 1.00 10.00 O ATOM 133 CB ILE A 12 35.201 24.658 26.900 1.00 10.00 C ATOM 134 CG1 ILE A 12 34.079 24.043 26.110 1.00 10.00 C ATOM 135 CG2 ILE A 12 35.949 25.744 26.038 1.00 10.00 C ATOM 136 CD1 ILE A 12 32.782 24.776 25.854 1.00 10.00 C ATOM 0 H ILE A 12 36.150 22.614 25.910 1.00 10.00 H new ATOM 0 HA ILE A 12 36.748 24.186 28.249 1.00 10.00 H new ATOM 0 HB ILE A 12 34.795 25.227 27.737 1.00 10.00 H new ATOM 0 HG12 ILE A 12 34.489 23.780 25.135 1.00 10.00 H new ATOM 0 HG13 ILE A 12 33.819 23.109 26.609 1.00 10.00 H new ATOM 0 HG21 ILE A 12 35.218 26.395 25.559 1.00 10.00 H new ATOM 0 HG22 ILE A 12 36.596 26.338 26.683 1.00 10.00 H new ATOM 0 HG23 ILE A 12 36.551 25.251 25.275 1.00 10.00 H new ATOM 0 HD11 ILE A 12 32.117 24.144 25.264 1.00 10.00 H new ATOM 0 HD12 ILE A 12 32.306 25.016 26.805 1.00 10.00 H new ATOM 0 HD13 ILE A 12 32.986 25.697 25.308 1.00 10.00 H new ATOM 148 N THR A 13 34.993 21.621 28.535 1.00 10.00 N ATOM 149 CA THR A 13 34.103 20.721 29.325 1.00 10.00 C ATOM 150 C THR A 13 34.131 21.052 30.838 1.00 10.00 C ATOM 151 O THR A 13 33.089 20.985 31.450 1.00 10.00 O ATOM 152 CB THR A 13 34.542 19.261 29.018 1.00 10.00 C ATOM 153 OG1 THR A 13 33.627 18.321 29.504 1.00 10.00 O ATOM 154 CG2 THR A 13 35.896 18.982 29.435 1.00 10.00 C ATOM 0 H THR A 13 35.459 21.114 27.782 1.00 10.00 H new ATOM 0 HA THR A 13 33.062 20.863 29.035 1.00 10.00 H new ATOM 0 HB THR A 13 34.540 19.165 27.932 1.00 10.00 H new ATOM 0 HG1 THR A 13 33.940 17.418 29.288 1.00 10.00 H new ATOM 0 HG21 THR A 13 36.145 17.948 29.195 1.00 10.00 H new ATOM 0 HG22 THR A 13 36.582 19.651 28.915 1.00 10.00 H new ATOM 0 HG23 THR A 13 35.984 19.136 30.510 1.00 10.00 H new ATOM 162 N THR A 14 35.223 21.489 31.493 1.00 10.00 N ATOM 163 CA THR A 14 35.160 21.874 32.906 1.00 10.00 C ATOM 164 C THR A 14 34.401 23.202 33.119 1.00 10.00 C ATOM 165 O THR A 14 33.554 23.365 34.022 1.00 10.00 O ATOM 166 CB THR A 14 36.592 21.913 33.563 1.00 10.00 C ATOM 167 OG1 THR A 14 37.277 20.717 33.133 1.00 10.00 O ATOM 168 CG2 THR A 14 36.589 21.918 35.050 1.00 10.00 C ATOM 0 H THR A 14 36.146 21.582 31.069 1.00 10.00 H new ATOM 0 HA THR A 14 34.587 21.099 33.416 1.00 10.00 H new ATOM 0 HB THR A 14 37.069 22.842 33.251 1.00 10.00 H new ATOM 0 HG1 THR A 14 38.178 20.700 33.518 1.00 10.00 H new ATOM 0 HG21 THR A 14 37.615 21.946 35.416 1.00 10.00 H new ATOM 0 HG22 THR A 14 36.052 22.796 35.410 1.00 10.00 H new ATOM 0 HG23 THR A 14 36.098 21.017 35.416 1.00 10.00 H new ATOM 176 N LYS A 15 34.637 24.208 32.270 1.00 10.00 N ATOM 177 CA LYS A 15 33.774 25.394 32.119 1.00 10.00 C ATOM 178 C LYS A 15 32.348 25.037 31.994 1.00 10.00 C ATOM 179 O LYS A 15 31.465 25.634 32.667 1.00 10.00 O ATOM 180 CB LYS A 15 34.111 26.328 30.867 1.00 10.00 C ATOM 181 CG LYS A 15 35.607 26.879 31.140 1.00 10.00 C ATOM 182 CD LYS A 15 35.923 27.984 30.076 1.00 10.00 C ATOM 183 CE LYS A 15 37.185 28.712 30.442 1.00 10.00 C ATOM 184 NZ LYS A 15 37.629 29.537 29.294 1.00 10.00 N ATOM 0 H LYS A 15 35.450 24.225 31.654 1.00 10.00 H new ATOM 0 HA LYS A 15 33.978 25.947 33.036 1.00 10.00 H new ATOM 0 HB2 LYS A 15 34.062 25.768 29.933 1.00 10.00 H new ATOM 0 HB3 LYS A 15 33.398 27.148 30.784 1.00 10.00 H new ATOM 0 HG2 LYS A 15 35.683 27.288 32.147 1.00 10.00 H new ATOM 0 HG3 LYS A 15 36.330 26.066 31.070 1.00 10.00 H new ATOM 0 HD2 LYS A 15 36.029 27.530 29.091 1.00 10.00 H new ATOM 0 HD3 LYS A 15 35.093 28.688 30.015 1.00 10.00 H new ATOM 0 HE2 LYS A 15 37.013 29.344 31.313 1.00 10.00 H new ATOM 0 HE3 LYS A 15 37.963 27.999 30.714 1.00 10.00 H new ATOM 0 HZ1 LYS A 15 38.503 30.041 29.546 1.00 10.00 H new ATOM 0 HZ2 LYS A 15 37.808 28.923 28.474 1.00 10.00 H new ATOM 0 HZ3 LYS A 15 36.888 30.226 29.055 1.00 10.00 H new ATOM 198 N ASP A 16 32.123 24.058 31.096 1.00 10.00 N ATOM 199 CA ASP A 16 30.786 23.536 30.706 1.00 10.00 C ATOM 200 C ASP A 16 30.175 22.763 31.872 1.00 10.00 C ATOM 201 O ASP A 16 28.956 22.872 32.059 1.00 10.00 O ATOM 202 CB ASP A 16 30.929 22.726 29.457 1.00 10.00 C ATOM 203 CG ASP A 16 29.657 22.591 28.579 1.00 10.00 C ATOM 204 OD1 ASP A 16 28.811 21.661 28.805 1.00 10.00 O ATOM 205 OD2 ASP A 16 29.595 23.417 27.575 1.00 10.00 O ATOM 0 H ASP A 16 32.885 23.591 30.604 1.00 10.00 H new ATOM 0 HA ASP A 16 30.094 24.348 30.484 1.00 10.00 H new ATOM 0 HB2 ASP A 16 31.719 23.169 28.850 1.00 10.00 H new ATOM 0 HB3 ASP A 16 31.262 21.726 29.734 1.00 10.00 H new ATOM 210 N LEU A 17 30.920 22.152 32.781 1.00 10.00 N ATOM 211 CA LEU A 17 30.199 21.352 33.851 1.00 10.00 C ATOM 212 C LEU A 17 29.960 22.225 35.012 1.00 10.00 C ATOM 213 O LEU A 17 29.047 21.886 35.765 1.00 10.00 O ATOM 214 CB LEU A 17 30.917 20.095 34.142 1.00 10.00 C ATOM 215 CG LEU A 17 30.741 19.089 33.007 1.00 10.00 C ATOM 216 CD1 LEU A 17 32.018 18.176 33.083 1.00 10.00 C ATOM 217 CD2 LEU A 17 29.548 18.111 33.178 1.00 10.00 C ATOM 0 H LEU A 17 31.939 22.166 32.833 1.00 10.00 H new ATOM 0 HA LEU A 17 29.219 21.022 33.506 1.00 10.00 H new ATOM 0 HB2 LEU A 17 31.977 20.303 34.287 1.00 10.00 H new ATOM 0 HB3 LEU A 17 30.545 19.667 35.073 1.00 10.00 H new ATOM 0 HG LEU A 17 30.579 19.652 32.088 1.00 10.00 H new ATOM 0 HD11 LEU A 17 31.973 17.421 32.298 1.00 10.00 H new ATOM 0 HD12 LEU A 17 32.911 18.787 32.948 1.00 10.00 H new ATOM 0 HD13 LEU A 17 32.058 17.686 34.056 1.00 10.00 H new ATOM 0 HD21 LEU A 17 29.505 17.436 32.323 1.00 10.00 H new ATOM 0 HD22 LEU A 17 29.681 17.531 34.091 1.00 10.00 H new ATOM 0 HD23 LEU A 17 28.619 18.678 33.240 1.00 10.00 H new ATOM 229 N LYS A 18 30.680 23.379 35.206 1.00 10.00 N ATOM 230 CA LYS A 18 30.374 24.435 36.199 1.00 10.00 C ATOM 231 C LYS A 18 29.071 25.115 35.762 1.00 10.00 C ATOM 232 O LYS A 18 28.244 25.318 36.652 1.00 10.00 O ATOM 233 CB LYS A 18 31.494 25.422 36.251 1.00 10.00 C ATOM 234 CG LYS A 18 32.350 25.209 37.524 1.00 10.00 C ATOM 235 CD LYS A 18 33.506 24.284 37.333 1.00 10.00 C ATOM 236 CE LYS A 18 34.328 23.796 38.584 1.00 10.00 C ATOM 237 NZ LYS A 18 35.053 24.900 39.245 1.00 10.00 N ATOM 0 H LYS A 18 31.510 23.594 34.654 1.00 10.00 H new ATOM 0 HA LYS A 18 30.259 24.011 37.196 1.00 10.00 H new ATOM 0 HB2 LYS A 18 32.119 25.318 35.364 1.00 10.00 H new ATOM 0 HB3 LYS A 18 31.093 26.436 36.241 1.00 10.00 H new ATOM 0 HG2 LYS A 18 32.724 26.175 37.863 1.00 10.00 H new ATOM 0 HG3 LYS A 18 31.712 24.818 38.316 1.00 10.00 H new ATOM 0 HD2 LYS A 18 33.132 23.397 36.822 1.00 10.00 H new ATOM 0 HD3 LYS A 18 34.205 24.772 36.654 1.00 10.00 H new ATOM 0 HE2 LYS A 18 33.652 23.328 39.300 1.00 10.00 H new ATOM 0 HE3 LYS A 18 35.040 23.032 38.272 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 35.579 24.530 40.062 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 35.718 25.331 38.572 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 34.373 25.618 39.567 1.00 10.00 H new ATOM 251 N GLU A 19 28.931 25.281 34.450 1.00 10.00 N ATOM 252 CA GLU A 19 27.704 25.792 33.860 1.00 10.00 C ATOM 253 C GLU A 19 26.591 24.773 34.183 1.00 10.00 C ATOM 254 O GLU A 19 25.512 25.157 34.782 1.00 10.00 O ATOM 255 CB GLU A 19 27.989 25.885 32.347 1.00 10.00 C ATOM 256 CG GLU A 19 26.793 26.111 31.382 1.00 10.00 C ATOM 257 CD GLU A 19 27.142 26.460 29.904 1.00 10.00 C ATOM 258 OE1 GLU A 19 27.965 27.333 29.658 1.00 10.00 O ATOM 259 OE2 GLU A 19 26.400 25.932 29.080 1.00 10.00 O ATOM 0 H GLU A 19 29.662 25.066 33.772 1.00 10.00 H new ATOM 0 HA GLU A 19 27.389 26.766 34.235 1.00 10.00 H new ATOM 0 HB2 GLU A 19 28.698 26.698 32.192 1.00 10.00 H new ATOM 0 HB3 GLU A 19 28.489 24.964 32.046 1.00 10.00 H new ATOM 0 HG2 GLU A 19 26.180 25.210 31.383 1.00 10.00 H new ATOM 0 HG3 GLU A 19 26.178 26.915 31.785 1.00 10.00 H new ATOM 266 N LYS A 20 26.761 23.470 33.779 1.00 10.00 N ATOM 267 CA LYS A 20 25.693 22.437 33.862 1.00 10.00 C ATOM 268 C LYS A 20 25.199 22.223 35.311 1.00 10.00 C ATOM 269 O LYS A 20 24.080 21.825 35.547 1.00 10.00 O ATOM 270 CB LYS A 20 26.200 21.201 33.214 1.00 10.00 C ATOM 271 CG LYS A 20 26.233 21.094 31.725 1.00 10.00 C ATOM 272 CD LYS A 20 24.844 21.284 31.087 1.00 10.00 C ATOM 273 CE LYS A 20 24.907 20.836 29.599 1.00 10.00 C ATOM 274 NZ LYS A 20 25.973 21.486 28.746 1.00 10.00 N ATOM 0 H LYS A 20 27.637 23.119 33.392 1.00 10.00 H new ATOM 0 HA LYS A 20 24.804 22.770 33.327 1.00 10.00 H new ATOM 0 HB2 LYS A 20 27.217 21.042 33.572 1.00 10.00 H new ATOM 0 HB3 LYS A 20 25.598 20.371 33.585 1.00 10.00 H new ATOM 0 HG2 LYS A 20 26.918 21.842 31.326 1.00 10.00 H new ATOM 0 HG3 LYS A 20 26.628 20.118 31.443 1.00 10.00 H new ATOM 0 HD2 LYS A 20 24.099 20.699 31.626 1.00 10.00 H new ATOM 0 HD3 LYS A 20 24.538 22.328 31.154 1.00 10.00 H new ATOM 0 HE2 LYS A 20 25.060 19.757 29.573 1.00 10.00 H new ATOM 0 HE3 LYS A 20 23.937 21.032 29.142 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 25.930 21.099 27.782 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 25.813 22.513 28.714 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 26.910 21.294 29.155 1.00 10.00 H new ATOM 288 N LYS A 21 25.964 22.596 36.344 1.00 10.00 N ATOM 289 CA LYS A 21 25.784 22.606 37.839 1.00 10.00 C ATOM 290 C LYS A 21 25.255 23.915 38.382 1.00 10.00 C ATOM 291 O LYS A 21 24.643 23.992 39.442 1.00 10.00 O ATOM 292 CB LYS A 21 27.190 22.203 38.326 1.00 10.00 C ATOM 293 CG LYS A 21 27.499 20.681 38.394 1.00 10.00 C ATOM 294 CD LYS A 21 28.935 20.545 38.843 1.00 10.00 C ATOM 295 CE LYS A 21 29.440 19.144 39.171 1.00 10.00 C ATOM 296 NZ LYS A 21 29.105 18.689 40.552 1.00 10.00 N ATOM 0 H LYS A 21 26.891 22.965 36.131 1.00 10.00 H new ATOM 0 HA LYS A 21 25.010 21.928 38.200 1.00 10.00 H new ATOM 0 HB2 LYS A 21 27.924 22.670 37.669 1.00 10.00 H new ATOM 0 HB3 LYS A 21 27.339 22.625 39.320 1.00 10.00 H new ATOM 0 HG2 LYS A 21 26.827 20.181 39.092 1.00 10.00 H new ATOM 0 HG3 LYS A 21 27.353 20.213 37.420 1.00 10.00 H new ATOM 0 HD2 LYS A 21 29.572 20.958 38.061 1.00 10.00 H new ATOM 0 HD3 LYS A 21 29.071 21.167 39.727 1.00 10.00 H new ATOM 0 HE2 LYS A 21 29.018 18.439 38.454 1.00 10.00 H new ATOM 0 HE3 LYS A 21 30.522 19.119 39.043 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 29.480 17.730 40.702 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 29.529 19.339 41.244 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 28.072 18.680 40.674 1.00 10.00 H new ATOM 310 N GLU A 22 25.428 25.086 37.649 1.00 10.00 N ATOM 311 CA GLU A 22 25.047 26.467 37.929 1.00 10.00 C ATOM 312 C GLU A 22 23.568 26.629 37.539 1.00 10.00 C ATOM 313 O GLU A 22 22.700 26.722 38.400 1.00 10.00 O ATOM 314 CB GLU A 22 26.017 27.528 37.354 1.00 10.00 C ATOM 315 CG GLU A 22 25.433 28.924 37.463 1.00 10.00 C ATOM 316 CD GLU A 22 26.437 29.939 36.842 1.00 10.00 C ATOM 317 OE1 GLU A 22 26.385 30.058 35.618 1.00 10.00 O ATOM 318 OE2 GLU A 22 27.108 30.673 37.595 1.00 10.00 O ATOM 0 H GLU A 22 25.899 25.036 36.745 1.00 10.00 H new ATOM 0 HA GLU A 22 25.144 26.670 38.996 1.00 10.00 H new ATOM 0 HB2 GLU A 22 26.965 27.485 37.890 1.00 10.00 H new ATOM 0 HB3 GLU A 22 26.230 27.301 36.309 1.00 10.00 H new ATOM 0 HG2 GLU A 22 24.476 28.974 36.944 1.00 10.00 H new ATOM 0 HG3 GLU A 22 25.242 29.173 38.507 1.00 10.00 H new ATOM 325 N VAL A 23 23.379 26.387 36.246 1.00 10.00 N ATOM 326 CA VAL A 23 22.059 26.223 35.635 1.00 10.00 C ATOM 327 C VAL A 23 21.145 25.303 36.308 1.00 10.00 C ATOM 328 O VAL A 23 19.930 25.452 36.447 1.00 10.00 O ATOM 329 CB VAL A 23 22.205 25.835 34.073 1.00 10.00 C ATOM 330 CG1 VAL A 23 22.327 24.266 33.786 1.00 10.00 C ATOM 331 CG2 VAL A 23 21.021 26.400 33.374 1.00 10.00 C ATOM 0 H VAL A 23 24.147 26.298 35.581 1.00 10.00 H new ATOM 0 HA VAL A 23 21.587 27.199 35.749 1.00 10.00 H new ATOM 0 HB VAL A 23 23.143 26.252 33.706 1.00 10.00 H new ATOM 0 HG11 VAL A 23 22.421 24.099 32.713 1.00 10.00 H new ATOM 0 HG12 VAL A 23 23.207 23.871 34.293 1.00 10.00 H new ATOM 0 HG13 VAL A 23 21.436 23.758 34.156 1.00 10.00 H new ATOM 0 HG21 VAL A 23 21.077 26.162 32.312 1.00 10.00 H new ATOM 0 HG22 VAL A 23 20.111 25.971 33.794 1.00 10.00 H new ATOM 0 HG23 VAL A 23 21.005 27.482 33.502 1.00 10.00 H new ATOM 341 N VAL A 24 21.722 24.179 36.801 1.00 10.00 N ATOM 342 CA VAL A 24 20.905 23.157 37.525 1.00 10.00 C ATOM 343 C VAL A 24 20.712 23.372 38.975 1.00 10.00 C ATOM 344 O VAL A 24 19.877 22.656 39.546 1.00 10.00 O ATOM 345 CB VAL A 24 21.279 21.697 37.181 1.00 10.00 C ATOM 346 CG1 VAL A 24 22.217 20.953 38.117 1.00 10.00 C ATOM 347 CG2 VAL A 24 20.001 20.814 37.061 1.00 10.00 C ATOM 0 H VAL A 24 22.714 23.956 36.719 1.00 10.00 H new ATOM 0 HA VAL A 24 19.912 23.332 37.111 1.00 10.00 H new ATOM 0 HB VAL A 24 21.825 21.834 36.247 1.00 10.00 H new ATOM 0 HG11 VAL A 24 22.382 19.944 37.740 1.00 10.00 H new ATOM 0 HG12 VAL A 24 23.170 21.480 38.172 1.00 10.00 H new ATOM 0 HG13 VAL A 24 21.773 20.901 39.111 1.00 10.00 H new ATOM 0 HG21 VAL A 24 20.287 19.791 36.818 1.00 10.00 H new ATOM 0 HG22 VAL A 24 19.461 20.825 38.008 1.00 10.00 H new ATOM 0 HG23 VAL A 24 19.359 21.208 36.273 1.00 10.00 H new ATOM 357 N GLU A 25 21.452 24.213 39.680 1.00 10.00 N ATOM 358 CA GLU A 25 21.131 24.545 41.048 1.00 10.00 C ATOM 359 C GLU A 25 20.058 25.703 41.105 1.00 10.00 C ATOM 360 O GLU A 25 19.355 25.917 42.122 1.00 10.00 O ATOM 361 CB GLU A 25 22.468 24.955 41.677 1.00 10.00 C ATOM 362 CG GLU A 25 22.274 25.515 43.092 1.00 10.00 C ATOM 363 CD GLU A 25 23.690 25.735 43.712 1.00 10.00 C ATOM 364 OE1 GLU A 25 24.202 24.798 44.480 1.00 10.00 O ATOM 365 OE2 GLU A 25 24.186 26.857 43.663 1.00 10.00 O ATOM 0 H GLU A 25 22.285 24.678 39.319 1.00 10.00 H new ATOM 0 HA GLU A 25 20.682 23.712 41.590 1.00 10.00 H new ATOM 0 HB2 GLU A 25 23.134 24.093 41.714 1.00 10.00 H new ATOM 0 HB3 GLU A 25 22.951 25.705 41.051 1.00 10.00 H new ATOM 0 HG2 GLU A 25 21.720 26.453 43.060 1.00 10.00 H new ATOM 0 HG3 GLU A 25 21.693 24.823 43.701 1.00 10.00 H new ATOM 372 N GLU A 26 19.977 26.532 40.034 1.00 10.00 N ATOM 373 CA GLU A 26 18.832 27.461 39.836 1.00 10.00 C ATOM 374 C GLU A 26 17.580 26.576 39.519 1.00 10.00 C ATOM 375 O GLU A 26 16.432 26.860 39.963 1.00 10.00 O ATOM 376 CB GLU A 26 19.078 28.530 38.735 1.00 10.00 C ATOM 377 CG GLU A 26 19.923 29.686 39.286 1.00 10.00 C ATOM 378 CD GLU A 26 19.392 30.302 40.602 1.00 10.00 C ATOM 379 OE1 GLU A 26 18.231 30.792 40.495 1.00 10.00 O ATOM 380 OE2 GLU A 26 20.006 30.184 41.667 1.00 10.00 O ATOM 0 H GLU A 26 20.683 26.578 39.299 1.00 10.00 H new ATOM 0 HA GLU A 26 18.682 28.046 40.743 1.00 10.00 H new ATOM 0 HB2 GLU A 26 19.585 28.074 37.885 1.00 10.00 H new ATOM 0 HB3 GLU A 26 18.124 28.911 38.370 1.00 10.00 H new ATOM 0 HG2 GLU A 26 20.939 29.329 39.452 1.00 10.00 H new ATOM 0 HG3 GLU A 26 19.980 30.470 38.530 1.00 10.00 H new ATOM 387 N ALA A 27 17.784 25.614 38.638 1.00 10.00 N ATOM 388 CA ALA A 27 16.620 24.903 38.107 1.00 10.00 C ATOM 389 C ALA A 27 16.089 23.746 39.023 1.00 10.00 C ATOM 390 O ALA A 27 14.980 23.340 38.929 1.00 10.00 O ATOM 391 CB ALA A 27 17.001 24.351 36.709 1.00 10.00 C ATOM 0 H ALA A 27 18.692 25.313 38.285 1.00 10.00 H new ATOM 0 HA ALA A 27 15.797 25.616 38.054 1.00 10.00 H new ATOM 0 HB1 ALA A 27 16.152 23.814 36.286 1.00 10.00 H new ATOM 0 HB2 ALA A 27 17.271 25.178 36.053 1.00 10.00 H new ATOM 0 HB3 ALA A 27 17.848 23.672 36.804 1.00 10.00 H new ATOM 397 N GLU A 28 16.905 23.295 39.996 1.00 10.00 N ATOM 398 CA GLU A 28 16.419 22.410 41.104 1.00 10.00 C ATOM 399 C GLU A 28 15.673 23.118 42.175 1.00 10.00 C ATOM 400 O GLU A 28 15.002 22.510 43.031 1.00 10.00 O ATOM 401 CB GLU A 28 17.514 21.466 41.614 1.00 10.00 C ATOM 402 CG GLU A 28 17.940 20.357 40.756 1.00 10.00 C ATOM 403 CD GLU A 28 19.054 19.519 41.359 1.00 10.00 C ATOM 404 OE1 GLU A 28 19.737 19.951 42.309 1.00 10.00 O ATOM 405 OE2 GLU A 28 19.512 18.544 40.747 1.00 10.00 O ATOM 0 H GLU A 28 17.899 23.520 40.048 1.00 10.00 H new ATOM 0 HA GLU A 28 15.658 21.770 40.657 1.00 10.00 H new ATOM 0 HB2 GLU A 28 18.394 22.069 41.836 1.00 10.00 H new ATOM 0 HB3 GLU A 28 17.172 21.042 42.558 1.00 10.00 H new ATOM 0 HG2 GLU A 28 17.083 19.715 40.552 1.00 10.00 H new ATOM 0 HG3 GLU A 28 18.274 20.756 39.798 1.00 10.00 H new ATOM 412 N ASN A 29 15.796 24.468 42.219 1.00 10.00 N ATOM 413 CA ASN A 29 15.268 25.297 43.297 1.00 10.00 C ATOM 414 C ASN A 29 13.733 25.417 43.254 1.00 10.00 C ATOM 415 O ASN A 29 13.068 25.016 44.203 1.00 10.00 O ATOM 416 CB ASN A 29 15.981 26.637 43.242 1.00 10.00 C ATOM 417 CG ASN A 29 15.878 27.361 44.589 1.00 10.00 C ATOM 418 OD1 ASN A 29 15.017 28.236 44.642 1.00 10.00 O ATOM 419 ND2 ASN A 29 16.786 27.091 45.495 1.00 10.00 N ATOM 420 OXT ASN A 29 13.269 26.073 42.274 1.00 10.00 O ATOM 0 H ASN A 29 16.272 25.004 41.493 1.00 10.00 H new ATOM 0 HA ASN A 29 15.466 24.827 44.260 1.00 10.00 H new ATOM 0 HB2 ASN A 29 17.029 26.487 42.984 1.00 10.00 H new ATOM 0 HB3 ASN A 29 15.545 27.255 42.457 1.00 10.00 H new ATOM 0 HD21 ASN A 29 16.826 27.637 46.356 1.00 10.00 H new ATOM 0 HD22 ASN A 29 17.453 26.335 45.339 1.00 10.00 H new TER 427 ASN A 29