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 -33:sc= 1.24 USER MOD Single : A 10 SER OG : rot 80:sc= 0.838 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+ -169:sc= 1.64 (180deg=1.42) 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 35.336 9.503 19.132 1.00 10.00 C HETATM 2 O ACE A 1 35.391 9.159 17.955 1.00 10.00 O HETATM 3 CH3 ACE A 1 36.309 8.914 20.167 1.00 10.00 C HETATM 0 H1 ACE A 1 36.895 9.717 20.614 1.00 10.00 H new HETATM 0 H2 ACE A 1 35.745 8.400 20.945 1.00 10.00 H new HETATM 0 H3 ACE A 1 36.978 8.207 19.676 1.00 10.00 H new ATOM 7 N SER A 2 34.556 10.500 19.518 1.00 10.00 N ATOM 8 CA SER A 2 33.661 11.269 18.695 1.00 10.00 C ATOM 9 C SER A 2 33.760 12.813 19.008 1.00 10.00 C ATOM 10 O SER A 2 32.816 13.563 18.712 1.00 10.00 O ATOM 11 CB SER A 2 32.228 10.735 18.931 1.00 10.00 C ATOM 12 OG SER A 2 32.174 9.367 18.666 1.00 10.00 O ATOM 0 H SER A 2 34.537 10.809 20.490 1.00 10.00 H new ATOM 0 HA SER A 2 33.935 11.157 17.646 1.00 10.00 H new ATOM 0 HB2 SER A 2 31.926 10.925 19.961 1.00 10.00 H new ATOM 0 HB3 SER A 2 31.524 11.265 18.289 1.00 10.00 H new ATOM 0 HG SER A 2 31.263 9.040 18.820 1.00 10.00 H new ATOM 18 N ASP A 3 34.859 13.257 19.613 1.00 10.00 N ATOM 19 CA ASP A 3 35.044 14.591 20.173 1.00 10.00 C ATOM 20 C ASP A 3 35.777 15.556 19.224 1.00 10.00 C ATOM 21 O ASP A 3 35.722 16.805 19.395 1.00 10.00 O ATOM 22 CB ASP A 3 35.680 14.392 21.525 1.00 10.00 C ATOM 23 CG ASP A 3 35.783 15.723 22.331 1.00 10.00 C ATOM 24 OD1 ASP A 3 34.673 16.354 22.349 1.00 10.00 O ATOM 25 OD2 ASP A 3 36.797 16.030 23.047 1.00 10.00 O ATOM 0 H ASP A 3 35.683 12.668 19.731 1.00 10.00 H new ATOM 0 HA ASP A 3 34.093 15.108 20.301 1.00 10.00 H new ATOM 0 HB2 ASP A 3 35.098 13.668 22.095 1.00 10.00 H new ATOM 0 HB3 ASP A 3 36.676 13.969 21.397 1.00 10.00 H new ATOM 30 N ALA A 4 36.594 15.054 18.304 1.00 10.00 N ATOM 31 CA ALA A 4 37.158 15.910 17.282 1.00 10.00 C ATOM 32 C ALA A 4 36.039 16.497 16.369 1.00 10.00 C ATOM 33 O ALA A 4 36.235 17.519 15.752 1.00 10.00 O ATOM 34 CB ALA A 4 38.280 15.265 16.524 1.00 10.00 C ATOM 0 H ALA A 4 36.873 14.075 18.249 1.00 10.00 H new ATOM 0 HA ALA A 4 37.628 16.754 17.786 1.00 10.00 H new ATOM 0 HB1 ALA A 4 38.658 15.959 15.773 1.00 10.00 H new ATOM 0 HB2 ALA A 4 39.082 15.004 17.214 1.00 10.00 H new ATOM 0 HB3 ALA A 4 37.916 14.363 16.033 1.00 10.00 H new ATOM 40 N ALA A 5 34.862 15.843 16.257 1.00 10.00 N ATOM 41 CA ALA A 5 33.647 16.316 15.571 1.00 10.00 C ATOM 42 C ALA A 5 32.964 17.369 16.407 1.00 10.00 C ATOM 43 O ALA A 5 32.234 18.199 15.886 1.00 10.00 O ATOM 44 CB ALA A 5 32.667 15.129 15.260 1.00 10.00 C ATOM 0 H ALA A 5 34.731 14.919 16.667 1.00 10.00 H new ATOM 0 HA ALA A 5 33.940 16.755 14.617 1.00 10.00 H new ATOM 0 HB1 ALA A 5 31.781 15.512 14.754 1.00 10.00 H new ATOM 0 HB2 ALA A 5 33.167 14.403 14.618 1.00 10.00 H new ATOM 0 HB3 ALA A 5 32.372 14.647 16.192 1.00 10.00 H new ATOM 50 N VAL A 6 33.269 17.377 17.693 1.00 10.00 N ATOM 51 CA VAL A 6 32.785 18.479 18.605 1.00 10.00 C ATOM 52 C VAL A 6 33.861 19.586 18.923 1.00 10.00 C ATOM 53 O VAL A 6 33.672 20.439 19.771 1.00 10.00 O ATOM 54 CB VAL A 6 32.088 18.005 19.908 1.00 10.00 C ATOM 55 CG1 VAL A 6 31.271 19.029 20.769 1.00 10.00 C ATOM 56 CG2 VAL A 6 31.064 16.908 19.472 1.00 10.00 C ATOM 0 H VAL A 6 33.835 16.664 18.152 1.00 10.00 H new ATOM 0 HA VAL A 6 32.011 18.944 17.994 1.00 10.00 H new ATOM 0 HB VAL A 6 32.915 17.713 20.555 1.00 10.00 H new ATOM 0 HG11 VAL A 6 30.856 18.522 21.640 1.00 10.00 H new ATOM 0 HG12 VAL A 6 31.928 19.835 21.097 1.00 10.00 H new ATOM 0 HG13 VAL A 6 30.460 19.443 20.170 1.00 10.00 H new ATOM 0 HG21 VAL A 6 30.538 16.532 20.349 1.00 10.00 H new ATOM 0 HG22 VAL A 6 30.345 17.338 18.774 1.00 10.00 H new ATOM 0 HG23 VAL A 6 31.594 16.088 18.988 1.00 10.00 H new ATOM 66 N ASP A 7 34.902 19.618 18.085 1.00 10.00 N ATOM 67 CA ASP A 7 36.182 20.377 18.145 1.00 10.00 C ATOM 68 C ASP A 7 36.931 20.312 19.501 1.00 10.00 C ATOM 69 O ASP A 7 37.392 21.315 20.136 1.00 10.00 O ATOM 70 CB ASP A 7 36.136 21.767 17.579 1.00 10.00 C ATOM 71 CG ASP A 7 37.488 22.357 17.144 1.00 10.00 C ATOM 72 OD1 ASP A 7 38.167 21.896 16.173 1.00 10.00 O ATOM 73 OD2 ASP A 7 37.800 23.390 17.763 1.00 10.00 O ATOM 0 H ASP A 7 34.876 19.046 17.241 1.00 10.00 H new ATOM 0 HA ASP A 7 36.800 19.809 17.450 1.00 10.00 H new ATOM 0 HB2 ASP A 7 35.467 21.767 16.718 1.00 10.00 H new ATOM 0 HB3 ASP A 7 35.695 22.428 18.325 1.00 10.00 H new ATOM 78 N THR A 8 37.102 19.084 20.023 1.00 10.00 N ATOM 79 CA THR A 8 37.908 18.759 21.207 1.00 10.00 C ATOM 80 C THR A 8 37.400 19.530 22.430 1.00 10.00 C ATOM 81 O THR A 8 38.088 20.266 23.135 1.00 10.00 O ATOM 82 CB THR A 8 39.485 18.999 20.993 1.00 10.00 C ATOM 83 OG1 THR A 8 39.780 18.595 19.687 1.00 10.00 O ATOM 84 CG2 THR A 8 40.339 18.130 21.911 1.00 10.00 C ATOM 0 H THR A 8 36.663 18.260 19.613 1.00 10.00 H new ATOM 0 HA THR A 8 37.786 17.690 21.380 1.00 10.00 H new ATOM 0 HB THR A 8 39.702 20.047 21.200 1.00 10.00 H new ATOM 0 HG1 THR A 8 40.735 18.726 19.512 1.00 10.00 H new ATOM 0 HG21 THR A 8 41.394 18.332 21.725 1.00 10.00 H new ATOM 0 HG22 THR A 8 40.104 18.358 22.951 1.00 10.00 H new ATOM 0 HG23 THR A 8 40.131 17.078 21.714 1.00 10.00 H new ATOM 92 N SER A 9 36.119 19.316 22.634 1.00 10.00 N ATOM 93 CA SER A 9 35.327 19.865 23.751 1.00 10.00 C ATOM 94 C SER A 9 35.836 19.248 25.065 1.00 10.00 C ATOM 95 O SER A 9 35.774 19.900 26.113 1.00 10.00 O ATOM 96 CB SER A 9 33.806 19.751 23.657 1.00 10.00 C ATOM 97 OG SER A 9 33.349 18.376 23.547 1.00 10.00 O ATOM 0 H SER A 9 35.563 18.732 22.009 1.00 10.00 H new ATOM 0 HA SER A 9 35.489 20.942 23.706 1.00 10.00 H new ATOM 0 HB2 SER A 9 33.357 20.209 24.539 1.00 10.00 H new ATOM 0 HB3 SER A 9 33.457 20.315 22.792 1.00 10.00 H new ATOM 0 HG SER A 9 34.011 17.850 23.051 1.00 10.00 H new ATOM 103 N SER A 10 36.583 18.133 25.038 1.00 10.00 N ATOM 104 CA SER A 10 37.338 17.623 26.236 1.00 10.00 C ATOM 105 C SER A 10 38.320 18.543 26.866 1.00 10.00 C ATOM 106 O SER A 10 38.534 18.458 28.081 1.00 10.00 O ATOM 107 CB SER A 10 37.894 16.199 26.120 1.00 10.00 C ATOM 108 OG SER A 10 36.803 15.314 25.776 1.00 10.00 O ATOM 0 H SER A 10 36.692 17.553 24.206 1.00 10.00 H new ATOM 0 HA SER A 10 36.511 17.577 26.945 1.00 10.00 H new ATOM 0 HB2 SER A 10 38.673 16.156 25.359 1.00 10.00 H new ATOM 0 HB3 SER A 10 38.351 15.891 27.061 1.00 10.00 H new ATOM 0 HG SER A 10 36.617 15.382 24.816 1.00 10.00 H new ATOM 114 N GLU A 11 38.921 19.532 26.145 1.00 10.00 N ATOM 115 CA GLU A 11 39.682 20.556 26.892 1.00 10.00 C ATOM 116 C GLU A 11 38.863 21.530 27.684 1.00 10.00 C ATOM 117 O GLU A 11 39.253 21.879 28.798 1.00 10.00 O ATOM 118 CB GLU A 11 40.558 21.381 25.959 1.00 10.00 C ATOM 119 CG GLU A 11 41.523 20.598 25.071 1.00 10.00 C ATOM 120 CD GLU A 11 42.391 21.548 24.381 1.00 10.00 C ATOM 121 OE1 GLU A 11 43.224 22.171 25.090 1.00 10.00 O ATOM 122 OE2 GLU A 11 42.156 21.857 23.211 1.00 10.00 O ATOM 0 H GLU A 11 38.897 19.636 25.131 1.00 10.00 H new ATOM 0 HA GLU A 11 40.262 19.960 27.596 1.00 10.00 H new ATOM 0 HB2 GLU A 11 39.909 21.977 25.317 1.00 10.00 H new ATOM 0 HB3 GLU A 11 41.138 22.080 26.562 1.00 10.00 H new ATOM 0 HG2 GLU A 11 42.117 19.909 25.672 1.00 10.00 H new ATOM 0 HG3 GLU A 11 40.970 19.996 24.349 1.00 10.00 H new ATOM 129 N ILE A 12 37.720 21.999 27.197 1.00 10.00 N ATOM 130 CA ILE A 12 36.829 23.100 27.750 1.00 10.00 C ATOM 131 C ILE A 12 35.661 22.574 28.692 1.00 10.00 C ATOM 132 O ILE A 12 35.040 23.390 29.350 1.00 10.00 O ATOM 133 CB ILE A 12 36.192 24.059 26.658 1.00 10.00 C ATOM 134 CG1 ILE A 12 35.179 23.258 25.655 1.00 10.00 C ATOM 135 CG2 ILE A 12 37.273 24.744 25.841 1.00 10.00 C ATOM 136 CD1 ILE A 12 34.059 24.156 25.143 1.00 10.00 C ATOM 0 H ILE A 12 37.331 21.612 26.337 1.00 10.00 H new ATOM 0 HA ILE A 12 37.537 23.680 28.342 1.00 10.00 H new ATOM 0 HB ILE A 12 35.616 24.810 27.199 1.00 10.00 H new ATOM 0 HG12 ILE A 12 35.742 22.863 24.810 1.00 10.00 H new ATOM 0 HG13 ILE A 12 34.749 22.404 26.179 1.00 10.00 H new ATOM 0 HG21 ILE A 12 36.811 25.396 25.100 1.00 10.00 H new ATOM 0 HG22 ILE A 12 37.907 25.337 26.500 1.00 10.00 H new ATOM 0 HG23 ILE A 12 37.879 23.992 25.336 1.00 10.00 H new ATOM 0 HD11 ILE A 12 33.409 23.585 24.480 1.00 10.00 H new ATOM 0 HD12 ILE A 12 33.479 24.531 25.986 1.00 10.00 H new ATOM 0 HD13 ILE A 12 34.487 24.996 24.596 1.00 10.00 H new ATOM 148 N THR A 13 35.415 21.280 28.682 1.00 10.00 N ATOM 149 CA THR A 13 34.301 20.698 29.540 1.00 10.00 C ATOM 150 C THR A 13 34.287 21.052 30.991 1.00 10.00 C ATOM 151 O THR A 13 33.235 21.251 31.486 1.00 10.00 O ATOM 152 CB THR A 13 34.429 19.191 29.346 1.00 10.00 C ATOM 153 OG1 THR A 13 33.390 18.442 29.963 1.00 10.00 O ATOM 154 CG2 THR A 13 35.778 18.738 29.868 1.00 10.00 C ATOM 0 H THR A 13 35.929 20.598 28.124 1.00 10.00 H new ATOM 0 HA THR A 13 33.356 21.130 29.211 1.00 10.00 H new ATOM 0 HB THR A 13 34.340 18.999 28.277 1.00 10.00 H new ATOM 0 HG1 THR A 13 33.533 17.487 29.798 1.00 10.00 H new ATOM 0 HG21 THR A 13 35.877 17.661 29.733 1.00 10.00 H new ATOM 0 HG22 THR A 13 36.570 19.247 29.319 1.00 10.00 H new ATOM 0 HG23 THR A 13 35.858 18.980 30.928 1.00 10.00 H new ATOM 162 N THR A 14 35.401 21.394 31.575 1.00 10.00 N ATOM 163 CA THR A 14 35.312 21.909 32.978 1.00 10.00 C ATOM 164 C THR A 14 34.584 23.258 33.033 1.00 10.00 C ATOM 165 O THR A 14 33.926 23.488 33.981 1.00 10.00 O ATOM 166 CB THR A 14 36.725 22.030 33.641 1.00 10.00 C ATOM 167 OG1 THR A 14 37.262 20.716 33.573 1.00 10.00 O ATOM 168 CG2 THR A 14 36.531 22.345 35.102 1.00 10.00 C ATOM 0 H THR A 14 36.335 21.345 31.167 1.00 10.00 H new ATOM 0 HA THR A 14 34.733 21.181 33.546 1.00 10.00 H new ATOM 0 HB THR A 14 37.349 22.787 33.166 1.00 10.00 H new ATOM 0 HG1 THR A 14 38.157 20.708 33.971 1.00 10.00 H new ATOM 0 HG21 THR A 14 37.503 22.434 35.587 1.00 10.00 H new ATOM 0 HG22 THR A 14 35.987 23.284 35.203 1.00 10.00 H new ATOM 0 HG23 THR A 14 35.962 21.544 35.574 1.00 10.00 H new ATOM 176 N LYS A 15 34.685 24.150 32.003 1.00 10.00 N ATOM 177 CA LYS A 15 33.937 25.452 31.972 1.00 10.00 C ATOM 178 C LYS A 15 32.447 25.227 31.821 1.00 10.00 C ATOM 179 O LYS A 15 31.665 25.815 32.577 1.00 10.00 O ATOM 180 CB LYS A 15 34.554 26.277 30.853 1.00 10.00 C ATOM 181 CG LYS A 15 36.078 26.375 30.765 1.00 10.00 C ATOM 182 CD LYS A 15 36.452 27.155 29.507 1.00 10.00 C ATOM 183 CE LYS A 15 37.975 27.466 29.469 1.00 10.00 C ATOM 184 NZ LYS A 15 38.364 28.453 28.437 1.00 10.00 N ATOM 0 H LYS A 15 35.274 23.995 31.185 1.00 10.00 H new ATOM 0 HA LYS A 15 34.029 25.997 32.911 1.00 10.00 H new ATOM 0 HB2 LYS A 15 34.194 25.872 29.907 1.00 10.00 H new ATOM 0 HB3 LYS A 15 34.162 27.291 30.936 1.00 10.00 H new ATOM 0 HG2 LYS A 15 36.475 26.873 31.649 1.00 10.00 H new ATOM 0 HG3 LYS A 15 36.519 25.378 30.736 1.00 10.00 H new ATOM 0 HD2 LYS A 15 36.174 26.580 28.624 1.00 10.00 H new ATOM 0 HD3 LYS A 15 35.887 28.087 29.472 1.00 10.00 H new ATOM 0 HE2 LYS A 15 38.284 27.837 30.446 1.00 10.00 H new ATOM 0 HE3 LYS A 15 38.520 26.539 29.293 1.00 10.00 H new ATOM 0 HZ1 LYS A 15 39.392 28.607 28.474 1.00 10.00 H new ATOM 0 HZ2 LYS A 15 38.101 28.094 27.497 1.00 10.00 H new ATOM 0 HZ3 LYS A 15 37.872 29.352 28.614 1.00 10.00 H new ATOM 198 N ASP A 16 32.156 24.344 30.872 1.00 10.00 N ATOM 199 CA ASP A 16 30.868 23.748 30.600 1.00 10.00 C ATOM 200 C ASP A 16 30.274 23.047 31.772 1.00 10.00 C ATOM 201 O ASP A 16 29.096 23.200 31.955 1.00 10.00 O ATOM 202 CB ASP A 16 30.981 22.842 29.294 1.00 10.00 C ATOM 203 CG ASP A 16 29.534 22.627 28.838 1.00 10.00 C ATOM 204 OD1 ASP A 16 29.073 23.496 28.095 1.00 10.00 O ATOM 205 OD2 ASP A 16 28.883 21.628 29.263 1.00 10.00 O ATOM 0 H ASP A 16 32.872 24.006 30.229 1.00 10.00 H new ATOM 0 HA ASP A 16 30.151 24.545 30.402 1.00 10.00 H new ATOM 0 HB2 ASP A 16 31.570 23.335 28.521 1.00 10.00 H new ATOM 0 HB3 ASP A 16 31.472 21.893 29.512 1.00 10.00 H new ATOM 210 N LEU A 17 30.989 22.321 32.595 1.00 10.00 N ATOM 211 CA LEU A 17 30.314 21.569 33.684 1.00 10.00 C ATOM 212 C LEU A 17 29.991 22.470 34.907 1.00 10.00 C ATOM 213 O LEU A 17 28.898 22.309 35.485 1.00 10.00 O ATOM 214 CB LEU A 17 31.015 20.244 33.921 1.00 10.00 C ATOM 215 CG LEU A 17 31.177 19.217 32.815 1.00 10.00 C ATOM 216 CD1 LEU A 17 32.191 18.161 33.298 1.00 10.00 C ATOM 217 CD2 LEU A 17 29.877 18.559 32.366 1.00 10.00 C ATOM 0 H LEU A 17 32.003 22.220 32.557 1.00 10.00 H new ATOM 0 HA LEU A 17 29.310 21.267 33.385 1.00 10.00 H new ATOM 0 HB2 LEU A 17 32.016 20.477 34.284 1.00 10.00 H new ATOM 0 HB3 LEU A 17 30.487 19.749 34.736 1.00 10.00 H new ATOM 0 HG LEU A 17 31.535 19.739 31.928 1.00 10.00 H new ATOM 0 HD11 LEU A 17 32.329 17.407 32.523 1.00 10.00 H new ATOM 0 HD12 LEU A 17 33.146 18.643 33.509 1.00 10.00 H new ATOM 0 HD13 LEU A 17 31.817 17.685 34.204 1.00 10.00 H new ATOM 0 HD21 LEU A 17 30.088 17.840 31.574 1.00 10.00 H new ATOM 0 HD22 LEU A 17 29.419 18.044 33.211 1.00 10.00 H new ATOM 0 HD23 LEU A 17 29.194 19.321 31.992 1.00 10.00 H new ATOM 229 N LYS A 18 30.746 23.542 35.219 1.00 10.00 N ATOM 230 CA LYS A 18 30.264 24.565 36.196 1.00 10.00 C ATOM 231 C LYS A 18 29.068 25.322 35.699 1.00 10.00 C ATOM 232 O LYS A 18 28.331 25.787 36.500 1.00 10.00 O ATOM 233 CB LYS A 18 31.399 25.464 36.517 1.00 10.00 C ATOM 234 CG LYS A 18 32.342 24.982 37.575 1.00 10.00 C ATOM 235 CD LYS A 18 33.002 23.588 37.347 1.00 10.00 C ATOM 236 CE LYS A 18 34.295 23.218 38.143 1.00 10.00 C ATOM 237 NZ LYS A 18 34.113 23.366 39.636 1.00 10.00 N ATOM 0 H LYS A 18 31.669 23.729 34.826 1.00 10.00 H new ATOM 0 HA LYS A 18 29.922 24.063 37.101 1.00 10.00 H new ATOM 0 HB2 LYS A 18 31.968 25.638 35.604 1.00 10.00 H new ATOM 0 HB3 LYS A 18 30.996 26.427 36.830 1.00 10.00 H new ATOM 0 HG2 LYS A 18 33.137 25.720 37.684 1.00 10.00 H new ATOM 0 HG3 LYS A 18 31.803 24.952 38.522 1.00 10.00 H new ATOM 0 HD2 LYS A 18 32.252 22.829 37.569 1.00 10.00 H new ATOM 0 HD3 LYS A 18 33.235 23.505 36.285 1.00 10.00 H new ATOM 0 HE2 LYS A 18 34.578 22.191 37.914 1.00 10.00 H new ATOM 0 HE3 LYS A 18 35.116 23.856 37.815 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 34.997 23.110 40.121 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 33.869 24.352 39.860 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 33.348 22.739 39.956 1.00 10.00 H new ATOM 251 N GLU A 19 28.816 25.347 34.338 1.00 10.00 N ATOM 252 CA GLU A 19 27.622 25.869 33.783 1.00 10.00 C ATOM 253 C GLU A 19 26.617 24.772 34.141 1.00 10.00 C ATOM 254 O GLU A 19 25.663 25.121 34.808 1.00 10.00 O ATOM 255 CB GLU A 19 27.815 26.084 32.244 1.00 10.00 C ATOM 256 CG GLU A 19 26.756 26.878 31.605 1.00 10.00 C ATOM 257 CD GLU A 19 26.724 26.661 30.087 1.00 10.00 C ATOM 258 OE1 GLU A 19 26.520 25.509 29.669 1.00 10.00 O ATOM 259 OE2 GLU A 19 26.990 27.590 29.307 1.00 10.00 O ATOM 0 H GLU A 19 29.471 24.992 33.642 1.00 10.00 H new ATOM 0 HA GLU A 19 27.304 26.845 34.150 1.00 10.00 H new ATOM 0 HB2 GLU A 19 28.773 26.576 32.075 1.00 10.00 H new ATOM 0 HB3 GLU A 19 27.866 25.110 31.757 1.00 10.00 H new ATOM 0 HG2 GLU A 19 25.790 26.608 32.032 1.00 10.00 H new ATOM 0 HG3 GLU A 19 26.914 27.935 31.819 1.00 10.00 H new ATOM 266 N LYS A 20 26.764 23.476 33.776 1.00 10.00 N ATOM 267 CA LYS A 20 25.713 22.483 33.900 1.00 10.00 C ATOM 268 C LYS A 20 25.435 22.209 35.428 1.00 10.00 C ATOM 269 O LYS A 20 24.417 21.556 35.715 1.00 10.00 O ATOM 270 CB LYS A 20 26.048 21.156 33.333 1.00 10.00 C ATOM 271 CG LYS A 20 26.143 21.221 31.803 1.00 10.00 C ATOM 272 CD LYS A 20 25.003 22.013 31.078 1.00 10.00 C ATOM 273 CE LYS A 20 25.230 21.910 29.557 1.00 10.00 C ATOM 274 NZ LYS A 20 26.330 22.792 29.068 1.00 10.00 N ATOM 0 H LYS A 20 27.630 23.105 33.386 1.00 10.00 H new ATOM 0 HA LYS A 20 24.869 22.903 33.354 1.00 10.00 H new ATOM 0 HB2 LYS A 20 26.995 20.809 33.745 1.00 10.00 H new ATOM 0 HB3 LYS A 20 25.289 20.430 33.623 1.00 10.00 H new ATOM 0 HG2 LYS A 20 27.098 21.673 31.537 1.00 10.00 H new ATOM 0 HG3 LYS A 20 26.154 20.202 31.416 1.00 10.00 H new ATOM 0 HD2 LYS A 20 24.028 21.604 31.344 1.00 10.00 H new ATOM 0 HD3 LYS A 20 25.007 23.057 31.392 1.00 10.00 H new ATOM 0 HE2 LYS A 20 25.460 20.876 29.299 1.00 10.00 H new ATOM 0 HE3 LYS A 20 24.307 22.170 29.039 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 26.314 22.823 28.029 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 26.198 23.752 29.445 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 27.245 22.416 29.389 1.00 10.00 H new ATOM 288 N LYS A 21 26.272 22.631 36.379 1.00 10.00 N ATOM 289 CA LYS A 21 26.037 22.507 37.802 1.00 10.00 C ATOM 290 C LYS A 21 25.335 23.750 38.399 1.00 10.00 C ATOM 291 O LYS A 21 24.689 23.613 39.445 1.00 10.00 O ATOM 292 CB LYS A 21 27.392 22.267 38.514 1.00 10.00 C ATOM 293 CG LYS A 21 27.956 20.879 38.204 1.00 10.00 C ATOM 294 CD LYS A 21 29.475 20.941 38.576 1.00 10.00 C ATOM 295 CE LYS A 21 30.220 19.717 38.097 1.00 10.00 C ATOM 296 NZ LYS A 21 30.103 18.596 39.006 1.00 10.00 N ATOM 0 H LYS A 21 27.160 23.083 36.162 1.00 10.00 H new ATOM 0 HA LYS A 21 25.366 21.663 37.960 1.00 10.00 H new ATOM 0 HB2 LYS A 21 28.107 23.028 38.202 1.00 10.00 H new ATOM 0 HB3 LYS A 21 27.261 22.375 39.591 1.00 10.00 H new ATOM 0 HG2 LYS A 21 27.443 20.111 38.783 1.00 10.00 H new ATOM 0 HG3 LYS A 21 27.821 20.629 37.152 1.00 10.00 H new ATOM 0 HD2 LYS A 21 29.921 21.833 38.136 1.00 10.00 H new ATOM 0 HD3 LYS A 21 29.581 21.031 39.657 1.00 10.00 H new ATOM 0 HE2 LYS A 21 29.839 19.426 37.118 1.00 10.00 H new ATOM 0 HE3 LYS A 21 31.273 19.966 37.968 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 30.633 17.785 38.627 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 30.491 18.860 39.934 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 29.101 18.337 39.110 1.00 10.00 H new ATOM 310 N GLU A 22 25.419 24.917 37.766 1.00 10.00 N ATOM 311 CA GLU A 22 24.814 26.135 38.326 1.00 10.00 C ATOM 312 C GLU A 22 23.410 26.234 37.720 1.00 10.00 C ATOM 313 O GLU A 22 22.441 26.394 38.462 1.00 10.00 O ATOM 314 CB GLU A 22 25.810 27.213 37.933 1.00 10.00 C ATOM 315 CG GLU A 22 25.406 28.615 38.401 1.00 10.00 C ATOM 316 CD GLU A 22 25.559 28.663 39.924 1.00 10.00 C ATOM 317 OE1 GLU A 22 24.760 28.120 40.720 1.00 10.00 O ATOM 318 OE2 GLU A 22 26.555 29.311 40.333 1.00 10.00 O ATOM 0 H GLU A 22 25.894 25.051 36.873 1.00 10.00 H new ATOM 0 HA GLU A 22 24.657 26.191 39.403 1.00 10.00 H new ATOM 0 HB2 GLU A 22 26.786 26.966 38.351 1.00 10.00 H new ATOM 0 HB3 GLU A 22 25.920 27.218 36.849 1.00 10.00 H new ATOM 0 HG2 GLU A 22 26.035 29.371 37.930 1.00 10.00 H new ATOM 0 HG3 GLU A 22 24.377 28.832 38.114 1.00 10.00 H new ATOM 325 N VAL A 23 23.389 26.177 36.378 1.00 10.00 N ATOM 326 CA VAL A 23 22.085 26.074 35.672 1.00 10.00 C ATOM 327 C VAL A 23 21.228 25.017 36.214 1.00 10.00 C ATOM 328 O VAL A 23 20.071 25.235 36.197 1.00 10.00 O ATOM 329 CB VAL A 23 22.434 25.790 34.166 1.00 10.00 C ATOM 330 CG1 VAL A 23 22.611 24.311 33.800 1.00 10.00 C ATOM 331 CG2 VAL A 23 21.544 26.477 33.101 1.00 10.00 C ATOM 0 H VAL A 23 24.213 26.199 35.777 1.00 10.00 H new ATOM 0 HA VAL A 23 21.516 26.995 35.797 1.00 10.00 H new ATOM 0 HB VAL A 23 23.408 26.276 34.120 1.00 10.00 H new ATOM 0 HG11 VAL A 23 22.849 24.225 32.740 1.00 10.00 H new ATOM 0 HG12 VAL A 23 23.422 23.885 34.390 1.00 10.00 H new ATOM 0 HG13 VAL A 23 21.687 23.771 34.010 1.00 10.00 H new ATOM 0 HG21 VAL A 23 21.889 26.200 32.105 1.00 10.00 H new ATOM 0 HG22 VAL A 23 20.510 26.156 33.229 1.00 10.00 H new ATOM 0 HG23 VAL A 23 21.606 27.559 33.218 1.00 10.00 H new ATOM 341 N VAL A 24 21.745 23.892 36.678 1.00 10.00 N ATOM 342 CA VAL A 24 20.876 22.831 37.234 1.00 10.00 C ATOM 343 C VAL A 24 20.372 23.122 38.758 1.00 10.00 C ATOM 344 O VAL A 24 19.232 22.873 39.024 1.00 10.00 O ATOM 345 CB VAL A 24 21.407 21.443 36.798 1.00 10.00 C ATOM 346 CG1 VAL A 24 22.306 20.879 37.798 1.00 10.00 C ATOM 347 CG2 VAL A 24 20.254 20.446 36.523 1.00 10.00 C ATOM 0 H VAL A 24 22.742 23.677 36.688 1.00 10.00 H new ATOM 0 HA VAL A 24 19.880 22.832 36.790 1.00 10.00 H new ATOM 0 HB VAL A 24 21.959 21.601 35.872 1.00 10.00 H new ATOM 0 HG11 VAL A 24 22.660 19.905 37.461 1.00 10.00 H new ATOM 0 HG12 VAL A 24 23.157 21.546 37.940 1.00 10.00 H new ATOM 0 HG13 VAL A 24 21.774 20.764 38.742 1.00 10.00 H new ATOM 0 HG21 VAL A 24 20.669 19.485 36.220 1.00 10.00 H new ATOM 0 HG22 VAL A 24 19.661 20.316 37.429 1.00 10.00 H new ATOM 0 HG23 VAL A 24 19.619 20.835 35.727 1.00 10.00 H new ATOM 357 N GLU A 25 21.138 23.685 39.585 1.00 10.00 N ATOM 358 CA GLU A 25 20.768 24.063 40.902 1.00 10.00 C ATOM 359 C GLU A 25 19.779 25.320 40.809 1.00 10.00 C ATOM 360 O GLU A 25 18.768 25.336 41.516 1.00 10.00 O ATOM 361 CB GLU A 25 22.013 24.385 41.675 1.00 10.00 C ATOM 362 CG GLU A 25 21.574 25.068 42.939 1.00 10.00 C ATOM 363 CD GLU A 25 22.794 25.095 43.857 1.00 10.00 C ATOM 364 OE1 GLU A 25 23.964 24.930 43.450 1.00 10.00 O ATOM 365 OE2 GLU A 25 22.459 25.438 45.050 1.00 10.00 O ATOM 0 H GLU A 25 22.106 23.916 39.362 1.00 10.00 H new ATOM 0 HA GLU A 25 20.248 23.257 41.420 1.00 10.00 H new ATOM 0 HB2 GLU A 25 22.574 23.478 41.900 1.00 10.00 H new ATOM 0 HB3 GLU A 25 22.672 25.031 41.095 1.00 10.00 H new ATOM 0 HG2 GLU A 25 21.220 26.078 42.733 1.00 10.00 H new ATOM 0 HG3 GLU A 25 20.748 24.530 43.405 1.00 10.00 H new ATOM 372 N GLU A 26 19.952 26.153 39.828 1.00 10.00 N ATOM 373 CA GLU A 26 18.959 27.274 39.577 1.00 10.00 C ATOM 374 C GLU A 26 17.595 26.848 39.032 1.00 10.00 C ATOM 375 O GLU A 26 16.637 27.604 39.150 1.00 10.00 O ATOM 376 CB GLU A 26 19.581 28.316 38.685 1.00 10.00 C ATOM 377 CG GLU A 26 19.207 29.786 38.835 1.00 10.00 C ATOM 378 CD GLU A 26 19.903 30.767 37.893 1.00 10.00 C ATOM 379 OE1 GLU A 26 19.501 30.970 36.748 1.00 10.00 O ATOM 380 OE2 GLU A 26 20.856 31.475 38.340 1.00 10.00 O ATOM 0 H GLU A 26 20.736 26.121 39.176 1.00 10.00 H new ATOM 0 HA GLU A 26 18.739 27.683 40.563 1.00 10.00 H new ATOM 0 HB2 GLU A 26 20.661 28.244 38.812 1.00 10.00 H new ATOM 0 HB3 GLU A 26 19.361 28.031 37.656 1.00 10.00 H new ATOM 0 HG2 GLU A 26 18.131 29.880 38.691 1.00 10.00 H new ATOM 0 HG3 GLU A 26 19.419 30.089 39.860 1.00 10.00 H new ATOM 387 N ALA A 27 17.530 25.621 38.464 1.00 10.00 N ATOM 388 CA ALA A 27 16.242 24.935 38.141 1.00 10.00 C ATOM 389 C ALA A 27 15.601 24.100 39.297 1.00 10.00 C ATOM 390 O ALA A 27 14.445 23.748 39.211 1.00 10.00 O ATOM 391 CB ALA A 27 16.371 24.112 36.834 1.00 10.00 C ATOM 0 H ALA A 27 18.357 25.077 38.216 1.00 10.00 H new ATOM 0 HA ALA A 27 15.528 25.744 37.991 1.00 10.00 H new ATOM 0 HB1 ALA A 27 15.422 23.621 36.618 1.00 10.00 H new ATOM 0 HB2 ALA A 27 16.632 24.776 36.010 1.00 10.00 H new ATOM 0 HB3 ALA A 27 17.150 23.359 36.954 1.00 10.00 H new ATOM 397 N GLU A 28 16.472 23.701 40.263 1.00 10.00 N ATOM 398 CA GLU A 28 16.128 22.741 41.310 1.00 10.00 C ATOM 399 C GLU A 28 15.409 23.411 42.444 1.00 10.00 C ATOM 400 O GLU A 28 14.346 22.974 42.912 1.00 10.00 O ATOM 401 CB GLU A 28 17.437 22.034 41.863 1.00 10.00 C ATOM 402 CG GLU A 28 17.849 20.828 40.955 1.00 10.00 C ATOM 403 CD GLU A 28 16.886 19.729 41.266 1.00 10.00 C ATOM 404 OE1 GLU A 28 15.794 19.640 40.664 1.00 10.00 O ATOM 405 OE2 GLU A 28 17.273 18.843 42.036 1.00 10.00 O ATOM 0 H GLU A 28 17.430 24.045 40.324 1.00 10.00 H new ATOM 0 HA GLU A 28 15.468 21.994 40.870 1.00 10.00 H new ATOM 0 HB2 GLU A 28 18.253 22.755 41.908 1.00 10.00 H new ATOM 0 HB3 GLU A 28 17.264 21.685 42.881 1.00 10.00 H new ATOM 0 HG2 GLU A 28 17.803 21.100 39.901 1.00 10.00 H new ATOM 0 HG3 GLU A 28 18.874 20.518 41.160 1.00 10.00 H new ATOM 412 N ASN A 29 15.946 24.554 42.834 1.00 10.00 N ATOM 413 CA ASN A 29 15.548 25.604 43.782 1.00 10.00 C ATOM 414 C ASN A 29 14.144 26.149 43.629 1.00 10.00 C ATOM 415 O ASN A 29 13.476 26.441 44.675 1.00 10.00 O ATOM 416 CB ASN A 29 16.629 26.762 43.687 1.00 10.00 C ATOM 417 CG ASN A 29 16.461 27.931 44.688 1.00 10.00 C ATOM 418 OD1 ASN A 29 16.109 29.056 44.346 1.00 10.00 O ATOM 419 ND2 ASN A 29 17.028 27.770 45.858 1.00 10.00 N ATOM 420 OXT ASN A 29 13.542 26.202 42.563 1.00 10.00 O ATOM 0 H ASN A 29 16.838 24.820 42.417 1.00 10.00 H new ATOM 0 HA ASN A 29 15.518 25.144 44.770 1.00 10.00 H new ATOM 0 HB2 ASN A 29 17.616 26.323 43.834 1.00 10.00 H new ATOM 0 HB3 ASN A 29 16.608 27.169 42.676 1.00 10.00 H new ATOM 0 HD21 ASN A 29 17.171 28.573 46.470 1.00 10.00 H new ATOM 0 HD22 ASN A 29 17.326 26.841 46.157 1.00 10.00 H new TER 427 ASN A 29