USER MOD reduce.3.24.130724 H: found=0, std=0, add=436, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 434 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 Set 1.1: A 45 TYR OH : rot -15:sc= -1.87 USER MOD Set 1.2: A 50 THR OG1 : rot 151:sc= 0.401 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -1.88! USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -5.59 K(o=-5.6,f=-10!) USER MOD Single : A 22 ASN : amide:sc= -0.299 X(o=-0.3,f=-0.026) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 160:sc= -1.29 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 159:sc= -0.0313 (180deg=-0.286) USER MOD Single : A 44 ASN : amide:sc= -0.248 X(o=-0.25,f=-0.013) USER MOD Single : A 48 LYS NZ :NH3+ -166:sc=-0.00606 (180deg=-0.135) USER MOD Single : A 49 GLN : amide:sc= -0.0162 X(o=-0.016,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.804 6.792 -0.281 1.00 41.12 N ATOM 2 CA GLY A 1 -5.741 7.252 -1.156 1.00 11.53 C ATOM 3 C GLY A 1 -6.224 7.512 -2.569 1.00 35.32 C ATOM 4 O GLY A 1 -6.722 6.606 -3.237 1.00 25.11 O ATOM 0 H1 GLY A 1 -6.422 6.629 0.673 1.00 41.12 H new ATOM 0 H2 GLY A 1 -7.553 7.513 -0.236 1.00 41.12 H new ATOM 0 H3 GLY A 1 -7.200 5.905 -0.652 1.00 41.12 H new ATOM 0 HA2 GLY A 1 -5.310 8.167 -0.749 1.00 11.53 H new ATOM 0 HA3 GLY A 1 -4.946 6.507 -1.179 1.00 11.53 H new ATOM 8 N GLU A 2 -6.080 8.752 -3.024 1.00 1.41 N ATOM 9 CA GLU A 2 -6.508 9.128 -4.366 1.00 75.32 C ATOM 10 C GLU A 2 -5.409 9.898 -5.093 1.00 35.22 C ATOM 11 O GLU A 2 -5.363 11.127 -5.044 1.00 43.32 O ATOM 12 CB GLU A 2 -7.782 9.974 -4.301 1.00 63.12 C ATOM 13 CG GLU A 2 -8.647 9.869 -5.546 1.00 23.31 C ATOM 14 CD GLU A 2 -10.065 10.354 -5.314 1.00 25.52 C ATOM 15 OE1 GLU A 2 -10.236 11.535 -4.947 1.00 63.24 O ATOM 16 OE2 GLU A 2 -11.003 9.551 -5.499 1.00 72.31 O ATOM 0 H GLU A 2 -5.670 9.514 -2.483 1.00 1.41 H new ATOM 0 HA GLU A 2 -6.715 8.214 -4.922 1.00 75.32 H new ATOM 0 HB2 GLU A 2 -8.368 9.667 -3.435 1.00 63.12 H new ATOM 0 HB3 GLU A 2 -7.508 11.018 -4.147 1.00 63.12 H new ATOM 0 HG2 GLU A 2 -8.194 10.452 -6.348 1.00 23.31 H new ATOM 0 HG3 GLU A 2 -8.672 8.832 -5.880 1.00 23.31 H new ATOM 23 N ILE A 3 -4.528 9.166 -5.765 1.00 24.42 N ATOM 24 CA ILE A 3 -3.430 9.779 -6.502 1.00 4.04 C ATOM 25 C ILE A 3 -3.412 9.311 -7.953 1.00 21.33 C ATOM 26 O ILE A 3 -3.200 8.131 -8.234 1.00 22.14 O ATOM 27 CB ILE A 3 -2.069 9.459 -5.854 1.00 52.41 C ATOM 28 CG1 ILE A 3 -2.065 9.890 -4.386 1.00 43.30 C ATOM 29 CG2 ILE A 3 -0.946 10.145 -6.617 1.00 4.54 C ATOM 30 CD1 ILE A 3 -0.859 9.399 -3.616 1.00 1.31 C ATOM 0 H ILE A 3 -4.553 8.148 -5.815 1.00 24.42 H new ATOM 0 HA ILE A 3 -3.593 10.856 -6.473 1.00 4.04 H new ATOM 0 HB ILE A 3 -1.906 8.382 -5.897 1.00 52.41 H new ATOM 0 HG12 ILE A 3 -2.100 10.978 -4.335 1.00 43.30 H new ATOM 0 HG13 ILE A 3 -2.970 9.519 -3.904 1.00 43.30 H new ATOM 0 HG21 ILE A 3 0.009 9.910 -6.148 1.00 4.54 H new ATOM 0 HG22 ILE A 3 -0.940 9.794 -7.649 1.00 4.54 H new ATOM 0 HG23 ILE A 3 -1.102 11.224 -6.602 1.00 4.54 H new ATOM 0 HD11 ILE A 3 -0.922 9.742 -2.583 1.00 1.31 H new ATOM 0 HD12 ILE A 3 -0.834 8.309 -3.636 1.00 1.31 H new ATOM 0 HD13 ILE A 3 0.049 9.792 -4.073 1.00 1.31 H new ATOM 42 N LYS A 4 -3.635 10.243 -8.872 1.00 44.43 N ATOM 43 CA LYS A 4 -3.641 9.929 -10.296 1.00 74.30 C ATOM 44 C LYS A 4 -2.283 10.223 -10.925 1.00 15.50 C ATOM 45 O LYS A 4 -1.772 11.338 -10.828 1.00 14.31 O ATOM 46 CB LYS A 4 -4.731 10.730 -11.011 1.00 54.13 C ATOM 47 CG LYS A 4 -6.121 10.136 -10.861 1.00 12.05 C ATOM 48 CD LYS A 4 -6.304 8.914 -11.744 1.00 61.44 C ATOM 49 CE LYS A 4 -7.750 8.442 -11.751 1.00 21.31 C ATOM 50 NZ LYS A 4 -8.059 7.586 -10.572 1.00 14.20 N ATOM 0 H LYS A 4 -3.814 11.224 -8.656 1.00 44.43 H new ATOM 0 HA LYS A 4 -3.849 8.865 -10.407 1.00 74.30 H new ATOM 0 HB2 LYS A 4 -4.736 11.748 -10.622 1.00 54.13 H new ATOM 0 HB3 LYS A 4 -4.486 10.795 -12.071 1.00 54.13 H new ATOM 0 HG2 LYS A 4 -6.290 9.862 -9.820 1.00 12.05 H new ATOM 0 HG3 LYS A 4 -6.868 10.887 -11.118 1.00 12.05 H new ATOM 0 HD2 LYS A 4 -5.992 9.149 -12.762 1.00 61.44 H new ATOM 0 HD3 LYS A 4 -5.659 8.109 -11.391 1.00 61.44 H new ATOM 0 HE2 LYS A 4 -8.414 9.306 -11.757 1.00 21.31 H new ATOM 0 HE3 LYS A 4 -7.946 7.884 -12.667 1.00 21.31 H new ATOM 0 HZ1 LYS A 4 -9.053 7.285 -10.613 1.00 14.20 H new ATOM 0 HZ2 LYS A 4 -7.443 6.748 -10.580 1.00 14.20 H new ATOM 0 HZ3 LYS A 4 -7.897 8.127 -9.698 1.00 14.20 H new ATOM 64 N GLY A 5 -1.704 9.216 -11.572 1.00 14.24 N ATOM 65 CA GLY A 5 -0.412 9.389 -12.208 1.00 64.21 C ATOM 66 C GLY A 5 0.480 8.173 -12.049 1.00 11.20 C ATOM 67 O GLY A 5 0.715 7.710 -10.933 1.00 64.20 O ATOM 0 H GLY A 5 -2.107 8.284 -11.667 1.00 14.24 H new ATOM 0 HA2 GLY A 5 -0.557 9.593 -13.269 1.00 64.21 H new ATOM 0 HA3 GLY A 5 0.086 10.260 -11.781 1.00 64.21 H new ATOM 71 N ARG A 6 0.976 7.654 -13.168 1.00 14.34 N ATOM 72 CA ARG A 6 1.844 6.483 -13.147 1.00 53.24 C ATOM 73 C ARG A 6 3.035 6.673 -14.082 1.00 53.11 C ATOM 74 O ARG A 6 2.936 7.358 -15.100 1.00 51.42 O ATOM 75 CB ARG A 6 1.059 5.233 -13.551 1.00 1.41 C ATOM 76 CG ARG A 6 0.682 5.200 -15.023 1.00 15.32 C ATOM 77 CD ARG A 6 0.001 3.892 -15.394 1.00 62.11 C ATOM 78 NE ARG A 6 -1.419 3.898 -15.055 1.00 13.22 N ATOM 79 CZ ARG A 6 -2.248 2.902 -15.344 1.00 74.53 C ATOM 80 NH1 ARG A 6 -1.801 1.824 -15.975 1.00 1.43 N ATOM 81 NH2 ARG A 6 -3.528 2.981 -15.003 1.00 31.04 N ATOM 0 H ARG A 6 0.792 8.026 -14.100 1.00 14.34 H new ATOM 0 HA ARG A 6 2.218 6.356 -12.131 1.00 53.24 H new ATOM 0 HB2 ARG A 6 1.653 4.350 -13.317 1.00 1.41 H new ATOM 0 HB3 ARG A 6 0.151 5.175 -12.951 1.00 1.41 H new ATOM 0 HG2 ARG A 6 0.018 6.034 -15.248 1.00 15.32 H new ATOM 0 HG3 ARG A 6 1.576 5.331 -15.632 1.00 15.32 H new ATOM 0 HD2 ARG A 6 0.118 3.713 -16.463 1.00 62.11 H new ATOM 0 HD3 ARG A 6 0.493 3.068 -14.878 1.00 62.11 H new ATOM 0 HE ARG A 6 -1.795 4.712 -14.569 1.00 13.22 H new ATOM 0 HH11 ARG A 6 -0.818 1.759 -16.239 1.00 1.43 H new ATOM 0 HH12 ARG A 6 -2.440 1.060 -16.196 1.00 1.43 H new ATOM 0 HH21 ARG A 6 -3.876 3.808 -14.518 1.00 31.04 H new ATOM 0 HH22 ARG A 6 -4.163 2.215 -15.226 1.00 31.04 H new ATOM 95 N LYS A 7 4.160 6.062 -13.729 1.00 45.11 N ATOM 96 CA LYS A 7 5.371 6.162 -14.535 1.00 42.24 C ATOM 97 C LYS A 7 5.620 4.870 -15.306 1.00 60.41 C ATOM 98 O LYS A 7 6.187 3.915 -14.773 1.00 13.24 O ATOM 99 CB LYS A 7 6.576 6.478 -13.646 1.00 40.33 C ATOM 100 CG LYS A 7 6.634 7.927 -13.192 1.00 74.43 C ATOM 101 CD LYS A 7 5.868 8.136 -11.896 1.00 64.53 C ATOM 102 CE LYS A 7 6.674 7.671 -10.692 1.00 72.05 C ATOM 103 NZ LYS A 7 7.695 8.676 -10.287 1.00 12.22 N ATOM 0 H LYS A 7 4.259 5.492 -12.889 1.00 45.11 H new ATOM 0 HA LYS A 7 5.234 6.972 -15.252 1.00 42.24 H new ATOM 0 HB2 LYS A 7 6.549 5.832 -12.769 1.00 40.33 H new ATOM 0 HB3 LYS A 7 7.490 6.239 -14.189 1.00 40.33 H new ATOM 0 HG2 LYS A 7 7.673 8.225 -13.054 1.00 74.43 H new ATOM 0 HG3 LYS A 7 6.219 8.570 -13.969 1.00 74.43 H new ATOM 0 HD2 LYS A 7 5.621 9.192 -11.784 1.00 64.53 H new ATOM 0 HD3 LYS A 7 4.925 7.590 -11.937 1.00 64.53 H new ATOM 0 HE2 LYS A 7 6.001 7.480 -9.856 1.00 72.05 H new ATOM 0 HE3 LYS A 7 7.166 6.727 -10.927 1.00 72.05 H new ATOM 0 HZ1 LYS A 7 8.223 8.322 -9.464 1.00 12.22 H new ATOM 0 HZ2 LYS A 7 8.353 8.840 -11.076 1.00 12.22 H new ATOM 0 HZ3 LYS A 7 7.224 9.569 -10.038 1.00 12.22 H new ATOM 117 N THR A 8 5.194 4.845 -16.565 1.00 41.23 N ATOM 118 CA THR A 8 5.371 3.670 -17.409 1.00 50.33 C ATOM 119 C THR A 8 5.811 4.064 -18.815 1.00 4.25 C ATOM 120 O THR A 8 5.290 5.017 -19.395 1.00 43.24 O ATOM 121 CB THR A 8 4.074 2.845 -17.503 1.00 14.14 C ATOM 122 OG1 THR A 8 2.965 3.706 -17.788 1.00 62.41 O ATOM 123 CG2 THR A 8 3.817 2.092 -16.206 1.00 51.10 C ATOM 0 H THR A 8 4.724 5.626 -17.023 1.00 41.23 H new ATOM 0 HA THR A 8 6.147 3.062 -16.945 1.00 50.33 H new ATOM 0 HB THR A 8 4.188 2.121 -18.309 1.00 14.14 H new ATOM 0 HG1 THR A 8 2.144 3.174 -17.848 1.00 62.41 H new ATOM 0 HG21 THR A 8 2.896 1.516 -16.296 1.00 51.10 H new ATOM 0 HG22 THR A 8 4.649 1.417 -16.006 1.00 51.10 H new ATOM 0 HG23 THR A 8 3.722 2.803 -15.385 1.00 51.10 H new ATOM 131 N LEU A 9 6.773 3.325 -19.357 1.00 0.32 N ATOM 132 CA LEU A 9 7.284 3.597 -20.696 1.00 54.11 C ATOM 133 C LEU A 9 7.194 2.354 -21.576 1.00 12.23 C ATOM 134 O LEU A 9 7.866 1.354 -21.325 1.00 15.24 O ATOM 135 CB LEU A 9 8.733 4.080 -20.622 1.00 42.14 C ATOM 136 CG LEU A 9 9.058 5.351 -21.408 1.00 60.12 C ATOM 137 CD1 LEU A 9 8.649 5.197 -22.865 1.00 20.11 C ATOM 138 CD2 LEU A 9 8.369 6.555 -20.783 1.00 50.23 C ATOM 0 H LEU A 9 7.215 2.533 -18.890 1.00 0.32 H new ATOM 0 HA LEU A 9 6.669 4.380 -21.141 1.00 54.11 H new ATOM 0 HB2 LEU A 9 8.985 4.250 -19.575 1.00 42.14 H new ATOM 0 HB3 LEU A 9 9.380 3.280 -20.980 1.00 42.14 H new ATOM 0 HG LEU A 9 10.135 5.514 -21.370 1.00 60.12 H new ATOM 0 HD11 LEU A 9 8.888 6.111 -23.409 1.00 20.11 H new ATOM 0 HD12 LEU A 9 9.189 4.360 -23.308 1.00 20.11 H new ATOM 0 HD13 LEU A 9 7.577 5.009 -22.924 1.00 20.11 H new ATOM 0 HD21 LEU A 9 8.611 7.451 -21.355 1.00 50.23 H new ATOM 0 HD22 LEU A 9 7.290 6.401 -20.790 1.00 50.23 H new ATOM 0 HD23 LEU A 9 8.711 6.677 -19.755 1.00 50.23 H new ATOM 150 N ALA A 10 6.361 2.426 -22.609 1.00 31.32 N ATOM 151 CA ALA A 10 6.187 1.308 -23.528 1.00 54.23 C ATOM 152 C ALA A 10 5.296 1.698 -24.703 1.00 64.15 C ATOM 153 O ALA A 10 4.460 2.595 -24.592 1.00 44.44 O ATOM 154 CB ALA A 10 5.603 0.109 -22.796 1.00 71.35 C ATOM 0 H ALA A 10 5.796 3.246 -22.830 1.00 31.32 H new ATOM 0 HA ALA A 10 7.167 1.037 -23.922 1.00 54.23 H new ATOM 0 HB1 ALA A 10 5.478 -0.718 -23.495 1.00 71.35 H new ATOM 0 HB2 ALA A 10 6.277 -0.191 -21.994 1.00 71.35 H new ATOM 0 HB3 ALA A 10 4.634 0.377 -22.374 1.00 71.35 H new ATOM 160 N THR A 11 5.481 1.018 -25.831 1.00 1.10 N ATOM 161 CA THR A 11 4.696 1.294 -27.027 1.00 43.55 C ATOM 162 C THR A 11 3.202 1.212 -26.736 1.00 42.02 C ATOM 163 O THR A 11 2.769 0.604 -25.757 1.00 73.14 O ATOM 164 CB THR A 11 5.041 0.314 -28.164 1.00 70.04 C ATOM 165 OG1 THR A 11 5.475 -0.936 -27.618 1.00 62.41 O ATOM 166 CG2 THR A 11 6.128 0.886 -29.061 1.00 42.24 C ATOM 0 H THR A 11 6.168 0.272 -25.940 1.00 1.10 H new ATOM 0 HA THR A 11 4.946 2.307 -27.342 1.00 43.55 H new ATOM 0 HB THR A 11 4.144 0.157 -28.763 1.00 70.04 H new ATOM 0 HG1 THR A 11 5.691 -1.554 -28.347 1.00 62.41 H new ATOM 0 HG21 THR A 11 6.354 0.176 -29.856 1.00 42.24 H new ATOM 0 HG22 THR A 11 5.783 1.823 -29.498 1.00 42.24 H new ATOM 0 HG23 THR A 11 7.027 1.070 -28.472 1.00 42.24 H new ATOM 174 N PRO A 12 2.394 1.837 -27.605 1.00 12.10 N ATOM 175 CA PRO A 12 0.935 1.847 -27.462 1.00 51.42 C ATOM 176 C PRO A 12 0.317 0.478 -27.722 1.00 63.42 C ATOM 177 O PRO A 12 -0.825 0.220 -27.345 1.00 74.11 O ATOM 178 CB PRO A 12 0.481 2.849 -28.527 1.00 3.32 C ATOM 179 CG PRO A 12 1.565 2.833 -29.548 1.00 45.24 C ATOM 180 CD PRO A 12 2.842 2.581 -28.794 1.00 54.40 C ATOM 0 HA PRO A 12 0.627 2.110 -26.450 1.00 51.42 H new ATOM 0 HB2 PRO A 12 -0.476 2.559 -28.961 1.00 3.32 H new ATOM 0 HB3 PRO A 12 0.350 3.845 -28.104 1.00 3.32 H new ATOM 0 HG2 PRO A 12 1.390 2.054 -30.290 1.00 45.24 H new ATOM 0 HG3 PRO A 12 1.609 3.781 -30.085 1.00 45.24 H new ATOM 0 HD2 PRO A 12 3.551 2.003 -29.386 1.00 54.40 H new ATOM 0 HD3 PRO A 12 3.339 3.512 -28.522 1.00 54.40 H new ATOM 188 N ALA A 13 1.081 -0.398 -28.368 1.00 54.54 N ATOM 189 CA ALA A 13 0.609 -1.742 -28.676 1.00 53.23 C ATOM 190 C ALA A 13 0.825 -2.683 -27.496 1.00 71.23 C ATOM 191 O ALA A 13 0.128 -3.688 -27.355 1.00 32.01 O ATOM 192 CB ALA A 13 1.311 -2.277 -29.916 1.00 15.51 C ATOM 0 H ALA A 13 2.029 -0.200 -28.688 1.00 54.54 H new ATOM 0 HA ALA A 13 -0.462 -1.688 -28.873 1.00 53.23 H new ATOM 0 HB1 ALA A 13 0.949 -3.282 -30.134 1.00 15.51 H new ATOM 0 HB2 ALA A 13 1.102 -1.624 -30.763 1.00 15.51 H new ATOM 0 HB3 ALA A 13 2.386 -2.309 -29.740 1.00 15.51 H new ATOM 198 N VAL A 14 1.796 -2.352 -26.651 1.00 12.00 N ATOM 199 CA VAL A 14 2.104 -3.168 -25.483 1.00 14.15 C ATOM 200 C VAL A 14 1.134 -2.882 -24.342 1.00 12.35 C ATOM 201 O VAL A 14 0.831 -3.761 -23.535 1.00 61.52 O ATOM 202 CB VAL A 14 3.543 -2.925 -24.991 1.00 40.44 C ATOM 203 CG1 VAL A 14 3.835 -3.763 -23.756 1.00 53.30 C ATOM 204 CG2 VAL A 14 4.541 -3.227 -26.099 1.00 5.44 C ATOM 0 H VAL A 14 2.383 -1.524 -26.754 1.00 12.00 H new ATOM 0 HA VAL A 14 2.004 -4.209 -25.790 1.00 14.15 H new ATOM 0 HB VAL A 14 3.643 -1.874 -24.718 1.00 40.44 H new ATOM 0 HG11 VAL A 14 4.856 -3.577 -23.424 1.00 53.30 H new ATOM 0 HG12 VAL A 14 3.140 -3.494 -22.961 1.00 53.30 H new ATOM 0 HG13 VAL A 14 3.718 -4.820 -23.997 1.00 53.30 H new ATOM 0 HG21 VAL A 14 5.553 -3.050 -25.735 1.00 5.44 H new ATOM 0 HG22 VAL A 14 4.442 -4.269 -26.404 1.00 5.44 H new ATOM 0 HG23 VAL A 14 4.344 -2.579 -26.953 1.00 5.44 H new ATOM 214 N ARG A 15 0.649 -1.646 -24.280 1.00 43.31 N ATOM 215 CA ARG A 15 -0.286 -1.243 -23.237 1.00 54.11 C ATOM 216 C ARG A 15 -1.505 -2.161 -23.216 1.00 54.52 C ATOM 217 O ARG A 15 -1.811 -2.780 -22.197 1.00 62.23 O ATOM 218 CB ARG A 15 -0.729 0.206 -23.451 1.00 22.20 C ATOM 219 CG ARG A 15 -1.722 0.699 -22.411 1.00 43.23 C ATOM 220 CD ARG A 15 -1.678 2.213 -22.273 1.00 63.03 C ATOM 221 NE ARG A 15 -2.371 2.674 -21.073 1.00 71.43 N ATOM 222 CZ ARG A 15 -3.694 2.730 -20.965 1.00 21.43 C ATOM 223 NH1 ARG A 15 -4.462 2.355 -21.979 1.00 10.45 N ATOM 224 NH2 ARG A 15 -4.251 3.160 -19.840 1.00 2.20 N ATOM 0 H ARG A 15 0.888 -0.906 -24.940 1.00 43.31 H new ATOM 0 HA ARG A 15 0.224 -1.322 -22.277 1.00 54.11 H new ATOM 0 HB2 ARG A 15 0.149 0.851 -23.437 1.00 22.20 H new ATOM 0 HB3 ARG A 15 -1.176 0.298 -24.441 1.00 22.20 H new ATOM 0 HG2 ARG A 15 -2.728 0.387 -22.690 1.00 43.23 H new ATOM 0 HG3 ARG A 15 -1.501 0.238 -21.448 1.00 43.23 H new ATOM 0 HD2 ARG A 15 -0.640 2.544 -22.242 1.00 63.03 H new ATOM 0 HD3 ARG A 15 -2.132 2.670 -23.152 1.00 63.03 H new ATOM 0 HE ARG A 15 -1.809 2.969 -20.275 1.00 71.43 H new ATOM 0 HH11 ARG A 15 -4.037 2.022 -22.845 1.00 10.45 H new ATOM 0 HH12 ARG A 15 -5.477 2.399 -21.893 1.00 10.45 H new ATOM 0 HH21 ARG A 15 -3.663 3.448 -19.058 1.00 2.20 H new ATOM 0 HH22 ARG A 15 -5.267 3.203 -19.758 1.00 2.20 H new ATOM 238 N ARG A 16 -2.198 -2.242 -24.348 1.00 1.44 N ATOM 239 CA ARG A 16 -3.384 -3.082 -24.459 1.00 13.33 C ATOM 240 C ARG A 16 -3.053 -4.536 -24.137 1.00 64.03 C ATOM 241 O ARG A 16 -3.855 -5.248 -23.531 1.00 41.34 O ATOM 242 CB ARG A 16 -3.976 -2.981 -25.866 1.00 34.43 C ATOM 243 CG ARG A 16 -3.001 -3.366 -26.966 1.00 23.01 C ATOM 244 CD ARG A 16 -3.146 -4.829 -27.353 1.00 32.41 C ATOM 245 NE ARG A 16 -4.118 -5.018 -28.427 1.00 12.44 N ATOM 246 CZ ARG A 16 -4.412 -6.201 -28.953 1.00 30.43 C ATOM 247 NH1 ARG A 16 -3.812 -7.296 -28.506 1.00 74.32 N ATOM 248 NH2 ARG A 16 -5.308 -6.292 -29.927 1.00 41.34 N ATOM 0 H ARG A 16 -1.958 -1.736 -25.201 1.00 1.44 H new ATOM 0 HA ARG A 16 -4.119 -2.727 -23.737 1.00 13.33 H new ATOM 0 HB2 ARG A 16 -4.854 -3.624 -25.929 1.00 34.43 H new ATOM 0 HB3 ARG A 16 -4.317 -1.960 -26.035 1.00 34.43 H new ATOM 0 HG2 ARG A 16 -3.172 -2.739 -27.841 1.00 23.01 H new ATOM 0 HG3 ARG A 16 -1.981 -3.176 -26.632 1.00 23.01 H new ATOM 0 HD2 ARG A 16 -2.178 -5.218 -27.668 1.00 32.41 H new ATOM 0 HD3 ARG A 16 -3.453 -5.406 -26.481 1.00 32.41 H new ATOM 0 HE ARG A 16 -4.597 -4.195 -28.793 1.00 12.44 H new ATOM 0 HH11 ARG A 16 -3.123 -7.230 -27.757 1.00 74.32 H new ATOM 0 HH12 ARG A 16 -4.039 -8.204 -28.912 1.00 74.32 H new ATOM 0 HH21 ARG A 16 -5.772 -5.452 -30.273 1.00 41.34 H new ATOM 0 HH22 ARG A 16 -5.533 -7.202 -30.330 1.00 41.34 H new ATOM 262 N LEU A 17 -1.866 -4.971 -24.547 1.00 74.32 N ATOM 263 CA LEU A 17 -1.428 -6.341 -24.304 1.00 30.24 C ATOM 264 C LEU A 17 -1.544 -6.695 -22.824 1.00 63.04 C ATOM 265 O LEU A 17 -2.213 -7.661 -22.458 1.00 4.45 O ATOM 266 CB LEU A 17 0.016 -6.527 -24.773 1.00 1.54 C ATOM 267 CG LEU A 17 0.437 -7.960 -25.100 1.00 52.43 C ATOM 268 CD1 LEU A 17 1.532 -7.966 -26.156 1.00 33.43 C ATOM 269 CD2 LEU A 17 0.901 -8.680 -23.843 1.00 0.12 C ATOM 0 H LEU A 17 -1.190 -4.395 -25.049 1.00 74.32 H new ATOM 0 HA LEU A 17 -2.076 -7.009 -24.871 1.00 30.24 H new ATOM 0 HB2 LEU A 17 0.170 -5.913 -25.660 1.00 1.54 H new ATOM 0 HB3 LEU A 17 0.680 -6.142 -23.999 1.00 1.54 H new ATOM 0 HG LEU A 17 -0.427 -8.491 -25.499 1.00 52.43 H new ATOM 0 HD11 LEU A 17 1.819 -8.994 -26.376 1.00 33.43 H new ATOM 0 HD12 LEU A 17 1.164 -7.489 -27.065 1.00 33.43 H new ATOM 0 HD13 LEU A 17 2.398 -7.419 -25.785 1.00 33.43 H new ATOM 0 HD21 LEU A 17 1.197 -9.698 -24.095 1.00 0.12 H new ATOM 0 HD22 LEU A 17 1.752 -8.151 -23.414 1.00 0.12 H new ATOM 0 HD23 LEU A 17 0.087 -8.707 -23.118 1.00 0.12 H new ATOM 281 N ALA A 18 -0.889 -5.905 -21.979 1.00 71.35 N ATOM 282 CA ALA A 18 -0.922 -6.133 -20.540 1.00 40.41 C ATOM 283 C ALA A 18 -2.357 -6.224 -20.031 1.00 64.14 C ATOM 284 O ALA A 18 -2.625 -6.862 -19.014 1.00 24.03 O ATOM 285 CB ALA A 18 -0.172 -5.026 -19.814 1.00 0.23 C ATOM 0 H ALA A 18 -0.330 -5.102 -22.266 1.00 71.35 H new ATOM 0 HA ALA A 18 -0.431 -7.085 -20.336 1.00 40.41 H new ATOM 0 HB1 ALA A 18 -0.204 -5.208 -18.740 1.00 0.23 H new ATOM 0 HB2 ALA A 18 0.865 -5.010 -20.148 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -0.639 -4.066 -20.033 1.00 0.23 H new ATOM 291 N MET A 19 -3.275 -5.582 -20.746 1.00 1.22 N ATOM 292 CA MET A 19 -4.683 -5.592 -20.366 1.00 1.21 C ATOM 293 C MET A 19 -5.279 -6.987 -20.527 1.00 14.53 C ATOM 294 O MET A 19 -6.127 -7.403 -19.738 1.00 1.12 O ATOM 295 CB MET A 19 -5.469 -4.588 -21.212 1.00 5.24 C ATOM 296 CG MET A 19 -6.675 -4.003 -20.496 1.00 12.03 C ATOM 297 SD MET A 19 -7.803 -3.152 -21.616 1.00 62.44 S ATOM 298 CE MET A 19 -8.765 -2.183 -20.457 1.00 71.34 C ATOM 0 H MET A 19 -3.070 -5.049 -21.591 1.00 1.22 H new ATOM 0 HA MET A 19 -4.753 -5.305 -19.317 1.00 1.21 H new ATOM 0 HB2 MET A 19 -4.804 -3.777 -21.509 1.00 5.24 H new ATOM 0 HB3 MET A 19 -5.802 -5.078 -22.127 1.00 5.24 H new ATOM 0 HG2 MET A 19 -7.212 -4.802 -19.984 1.00 12.03 H new ATOM 0 HG3 MET A 19 -6.335 -3.306 -19.730 1.00 12.03 H new ATOM 0 HE1 MET A 19 -9.509 -1.599 -21.000 1.00 71.34 H new ATOM 0 HE2 MET A 19 -9.268 -2.849 -19.755 1.00 71.34 H new ATOM 0 HE3 MET A 19 -8.105 -1.510 -19.909 1.00 71.34 H new ATOM 308 N GLU A 20 -4.831 -7.702 -21.553 1.00 72.52 N ATOM 309 CA GLU A 20 -5.323 -9.050 -21.817 1.00 2.25 C ATOM 310 C GLU A 20 -4.949 -9.997 -20.680 1.00 63.23 C ATOM 311 O GLU A 20 -5.610 -11.011 -20.460 1.00 61.14 O ATOM 312 CB GLU A 20 -4.758 -9.573 -23.139 1.00 21.43 C ATOM 313 CG GLU A 20 -3.415 -10.270 -22.994 1.00 13.13 C ATOM 314 CD GLU A 20 -2.572 -10.179 -24.251 1.00 33.12 C ATOM 315 OE1 GLU A 20 -2.731 -9.195 -25.003 1.00 11.04 O ATOM 316 OE2 GLU A 20 -1.753 -11.093 -24.482 1.00 71.12 O ATOM 0 H GLU A 20 -4.129 -7.372 -22.215 1.00 72.52 H new ATOM 0 HA GLU A 20 -6.410 -9.006 -21.888 1.00 2.25 H new ATOM 0 HB2 GLU A 20 -5.473 -10.268 -23.580 1.00 21.43 H new ATOM 0 HB3 GLU A 20 -4.652 -8.740 -23.834 1.00 21.43 H new ATOM 0 HG2 GLU A 20 -2.868 -9.827 -22.161 1.00 13.13 H new ATOM 0 HG3 GLU A 20 -3.579 -11.319 -22.746 1.00 13.13 H new ATOM 323 N ASN A 21 -3.883 -9.659 -19.962 1.00 0.51 N ATOM 324 CA ASN A 21 -3.419 -10.479 -18.849 1.00 13.11 C ATOM 325 C ASN A 21 -3.678 -9.784 -17.516 1.00 15.23 C ATOM 326 O ASN A 21 -3.260 -10.263 -16.463 1.00 2.22 O ATOM 327 CB ASN A 21 -1.927 -10.781 -18.998 1.00 3.23 C ATOM 328 CG ASN A 21 -1.144 -9.588 -19.513 1.00 32.13 C ATOM 329 OD1 ASN A 21 -0.797 -8.684 -18.752 1.00 62.43 O ATOM 330 ND2 ASN A 21 -0.863 -9.581 -20.811 1.00 14.34 N ATOM 0 H ASN A 21 -3.324 -8.823 -20.131 1.00 0.51 H new ATOM 0 HA ASN A 21 -3.976 -11.416 -18.864 1.00 13.11 H new ATOM 0 HB2 ASN A 21 -1.523 -11.088 -18.033 1.00 3.23 H new ATOM 0 HB3 ASN A 21 -1.795 -11.621 -19.681 1.00 3.23 H new ATOM 0 HD21 ASN A 21 -0.339 -8.805 -21.215 1.00 14.34 H new ATOM 0 HD22 ASN A 21 -1.171 -10.352 -21.404 1.00 14.34 H new ATOM 337 N ASN A 22 -4.372 -8.652 -17.570 1.00 54.51 N ATOM 338 CA ASN A 22 -4.688 -7.890 -16.367 1.00 41.00 C ATOM 339 C ASN A 22 -3.424 -7.584 -15.570 1.00 24.24 C ATOM 340 O ASN A 22 -3.218 -8.124 -14.482 1.00 60.11 O ATOM 341 CB ASN A 22 -5.680 -8.662 -15.495 1.00 71.11 C ATOM 342 CG ASN A 22 -6.411 -7.763 -14.516 1.00 70.44 C ATOM 343 OD1 ASN A 22 -6.432 -8.024 -13.313 1.00 71.35 O ATOM 344 ND2 ASN A 22 -7.015 -6.698 -15.030 1.00 33.14 N ATOM 0 H ASN A 22 -4.726 -8.242 -18.434 1.00 54.51 H new ATOM 0 HA ASN A 22 -5.141 -6.947 -16.673 1.00 41.00 H new ATOM 0 HB2 ASN A 22 -6.406 -9.165 -16.134 1.00 71.11 H new ATOM 0 HB3 ASN A 22 -5.148 -9.438 -14.944 1.00 71.11 H new ATOM 0 HD21 ASN A 22 -7.523 -6.056 -14.421 1.00 33.14 H new ATOM 0 HD22 ASN A 22 -6.971 -6.522 -16.034 1.00 33.14 H new ATOM 351 N ILE A 23 -2.581 -6.715 -16.117 1.00 61.24 N ATOM 352 CA ILE A 23 -1.338 -6.336 -15.456 1.00 72.55 C ATOM 353 C ILE A 23 -0.965 -4.892 -15.773 1.00 34.13 C ATOM 354 O ILE A 23 -0.962 -4.480 -16.933 1.00 4.42 O ATOM 355 CB ILE A 23 -0.176 -7.258 -15.872 1.00 50.43 C ATOM 356 CG1 ILE A 23 -0.482 -8.707 -15.488 1.00 12.52 C ATOM 357 CG2 ILE A 23 1.122 -6.796 -15.228 1.00 4.12 C ATOM 358 CD1 ILE A 23 0.592 -9.684 -15.911 1.00 52.12 C ATOM 0 H ILE A 23 -2.736 -6.260 -17.017 1.00 61.24 H new ATOM 0 HA ILE A 23 -1.506 -6.438 -14.384 1.00 72.55 H new ATOM 0 HB ILE A 23 -0.060 -7.207 -16.955 1.00 50.43 H new ATOM 0 HG12 ILE A 23 -0.612 -8.768 -14.408 1.00 12.52 H new ATOM 0 HG13 ILE A 23 -1.429 -9.002 -15.940 1.00 12.52 H new ATOM 0 HG21 ILE A 23 1.934 -7.457 -15.531 1.00 4.12 H new ATOM 0 HG22 ILE A 23 1.344 -5.778 -15.547 1.00 4.12 H new ATOM 0 HG23 ILE A 23 1.019 -6.822 -14.143 1.00 4.12 H new ATOM 0 HD11 ILE A 23 0.308 -10.691 -15.606 1.00 52.12 H new ATOM 0 HD12 ILE A 23 0.707 -9.652 -16.994 1.00 52.12 H new ATOM 0 HD13 ILE A 23 1.536 -9.414 -15.438 1.00 52.12 H new ATOM 370 N LYS A 24 -0.650 -4.127 -14.733 1.00 54.01 N ATOM 371 CA LYS A 24 -0.272 -2.728 -14.898 1.00 74.54 C ATOM 372 C LYS A 24 1.099 -2.610 -15.555 1.00 3.41 C ATOM 373 O LYS A 24 1.974 -3.452 -15.347 1.00 14.01 O ATOM 374 CB LYS A 24 -0.264 -2.017 -13.543 1.00 73.42 C ATOM 375 CG LYS A 24 -1.465 -2.351 -12.674 1.00 44.12 C ATOM 376 CD LYS A 24 -1.700 -1.286 -11.616 1.00 51.13 C ATOM 377 CE LYS A 24 -1.952 -1.904 -10.250 1.00 21.14 C ATOM 378 NZ LYS A 24 -2.325 -0.878 -9.237 1.00 1.11 N ATOM 0 H LYS A 24 -0.649 -4.452 -13.766 1.00 54.01 H new ATOM 0 HA LYS A 24 -1.008 -2.252 -15.546 1.00 74.54 H new ATOM 0 HB2 LYS A 24 0.647 -2.284 -13.007 1.00 73.42 H new ATOM 0 HB3 LYS A 24 -0.233 -0.940 -13.707 1.00 73.42 H new ATOM 0 HG2 LYS A 24 -2.353 -2.446 -13.299 1.00 44.12 H new ATOM 0 HG3 LYS A 24 -1.310 -3.316 -12.192 1.00 44.12 H new ATOM 0 HD2 LYS A 24 -0.834 -0.626 -11.564 1.00 51.13 H new ATOM 0 HD3 LYS A 24 -2.553 -0.670 -11.901 1.00 51.13 H new ATOM 0 HE2 LYS A 24 -2.749 -2.644 -10.328 1.00 21.14 H new ATOM 0 HE3 LYS A 24 -1.057 -2.432 -9.920 1.00 21.14 H new ATOM 0 HZ1 LYS A 24 -2.488 -1.339 -8.319 1.00 1.11 H new ATOM 0 HZ2 LYS A 24 -1.554 -0.186 -9.144 1.00 1.11 H new ATOM 0 HZ3 LYS A 24 -3.193 -0.391 -9.539 1.00 1.11 H new ATOM 392 N LEU A 25 1.282 -1.559 -16.347 1.00 11.44 N ATOM 393 CA LEU A 25 2.549 -1.329 -17.033 1.00 14.53 C ATOM 394 C LEU A 25 3.668 -1.055 -16.033 1.00 15.22 C ATOM 395 O LEU A 25 4.847 -1.219 -16.345 1.00 52.35 O ATOM 396 CB LEU A 25 2.419 -0.154 -18.004 1.00 70.34 C ATOM 397 CG LEU A 25 1.844 -0.484 -19.383 1.00 5.24 C ATOM 398 CD1 LEU A 25 2.746 -1.465 -20.116 1.00 35.43 C ATOM 399 CD2 LEU A 25 0.436 -1.045 -19.253 1.00 12.40 C ATOM 0 H LEU A 25 0.569 -0.853 -16.530 1.00 11.44 H new ATOM 0 HA LEU A 25 2.800 -2.230 -17.593 1.00 14.53 H new ATOM 0 HB2 LEU A 25 1.789 0.606 -17.542 1.00 70.34 H new ATOM 0 HB3 LEU A 25 3.405 0.290 -18.140 1.00 70.34 H new ATOM 0 HG LEU A 25 1.794 0.436 -19.965 1.00 5.24 H new ATOM 0 HD11 LEU A 25 2.321 -1.688 -21.095 1.00 35.43 H new ATOM 0 HD12 LEU A 25 3.736 -1.026 -20.241 1.00 35.43 H new ATOM 0 HD13 LEU A 25 2.828 -2.385 -19.538 1.00 35.43 H new ATOM 0 HD21 LEU A 25 0.043 -1.274 -20.243 1.00 12.40 H new ATOM 0 HD22 LEU A 25 0.461 -1.955 -18.653 1.00 12.40 H new ATOM 0 HD23 LEU A 25 -0.206 -0.309 -18.769 1.00 12.40 H new ATOM 411 N SER A 26 3.289 -0.639 -14.828 1.00 42.24 N ATOM 412 CA SER A 26 4.261 -0.341 -13.783 1.00 12.14 C ATOM 413 C SER A 26 4.652 -1.608 -13.027 1.00 52.45 C ATOM 414 O SER A 26 5.813 -1.793 -12.666 1.00 62.42 O ATOM 415 CB SER A 26 3.692 0.692 -12.808 1.00 40.31 C ATOM 416 OG SER A 26 4.642 1.031 -11.812 1.00 75.21 O ATOM 0 H SER A 26 2.317 -0.501 -14.552 1.00 42.24 H new ATOM 0 HA SER A 26 5.153 0.069 -14.257 1.00 12.14 H new ATOM 0 HB2 SER A 26 3.397 1.588 -13.354 1.00 40.31 H new ATOM 0 HB3 SER A 26 2.793 0.295 -12.337 1.00 40.31 H new ATOM 0 HG SER A 26 4.255 1.694 -11.203 1.00 75.21 H new ATOM 422 N GLU A 27 3.672 -2.475 -12.793 1.00 64.41 N ATOM 423 CA GLU A 27 3.914 -3.724 -12.080 1.00 73.42 C ATOM 424 C GLU A 27 5.009 -4.538 -12.763 1.00 44.32 C ATOM 425 O GLU A 27 5.984 -4.943 -12.129 1.00 71.03 O ATOM 426 CB GLU A 27 2.627 -4.548 -12.000 1.00 31.34 C ATOM 427 CG GLU A 27 2.683 -5.666 -10.971 1.00 51.53 C ATOM 428 CD GLU A 27 1.545 -6.656 -11.124 1.00 30.14 C ATOM 429 OE1 GLU A 27 0.628 -6.386 -11.927 1.00 34.01 O ATOM 430 OE2 GLU A 27 1.571 -7.701 -10.440 1.00 3.41 O ATOM 0 H GLU A 27 2.705 -2.336 -13.086 1.00 64.41 H new ATOM 0 HA GLU A 27 4.244 -3.478 -11.071 1.00 73.42 H new ATOM 0 HB2 GLU A 27 1.796 -3.885 -11.759 1.00 31.34 H new ATOM 0 HB3 GLU A 27 2.419 -4.978 -12.980 1.00 31.34 H new ATOM 0 HG2 GLU A 27 3.633 -6.193 -11.063 1.00 51.53 H new ATOM 0 HG3 GLU A 27 2.653 -5.236 -9.970 1.00 51.53 H new ATOM 437 N VAL A 28 4.842 -4.773 -14.061 1.00 31.23 N ATOM 438 CA VAL A 28 5.816 -5.537 -14.831 1.00 72.30 C ATOM 439 C VAL A 28 7.210 -4.933 -14.707 1.00 62.54 C ATOM 440 O VAL A 28 7.361 -3.739 -14.452 1.00 53.52 O ATOM 441 CB VAL A 28 5.427 -5.603 -16.320 1.00 11.01 C ATOM 442 CG1 VAL A 28 5.553 -4.232 -16.966 1.00 14.43 C ATOM 443 CG2 VAL A 28 6.285 -6.626 -17.050 1.00 13.44 C ATOM 0 H VAL A 28 4.041 -4.445 -14.601 1.00 31.23 H new ATOM 0 HA VAL A 28 5.823 -6.547 -14.420 1.00 72.30 H new ATOM 0 HB VAL A 28 4.386 -5.918 -16.392 1.00 11.01 H new ATOM 0 HG11 VAL A 28 5.274 -4.298 -18.018 1.00 14.43 H new ATOM 0 HG12 VAL A 28 4.892 -3.529 -16.459 1.00 14.43 H new ATOM 0 HG13 VAL A 28 6.583 -3.885 -16.885 1.00 14.43 H new ATOM 0 HG21 VAL A 28 5.997 -6.659 -18.101 1.00 13.44 H new ATOM 0 HG22 VAL A 28 7.335 -6.343 -16.971 1.00 13.44 H new ATOM 0 HG23 VAL A 28 6.139 -7.609 -16.602 1.00 13.44 H new ATOM 453 N VAL A 29 8.229 -5.768 -14.891 1.00 12.35 N ATOM 454 CA VAL A 29 9.612 -5.316 -14.801 1.00 62.22 C ATOM 455 C VAL A 29 9.960 -4.380 -15.953 1.00 2.11 C ATOM 456 O VAL A 29 9.393 -4.478 -17.040 1.00 73.30 O ATOM 457 CB VAL A 29 10.592 -6.505 -14.806 1.00 51.34 C ATOM 458 CG1 VAL A 29 12.005 -6.034 -14.498 1.00 11.52 C ATOM 459 CG2 VAL A 29 10.146 -7.566 -13.812 1.00 61.43 C ATOM 0 H VAL A 29 8.122 -6.760 -15.103 1.00 12.35 H new ATOM 0 HA VAL A 29 9.709 -4.778 -13.858 1.00 62.22 H new ATOM 0 HB VAL A 29 10.592 -6.949 -15.801 1.00 51.34 H new ATOM 0 HG11 VAL A 29 12.683 -6.888 -14.506 1.00 11.52 H new ATOM 0 HG12 VAL A 29 12.321 -5.313 -15.252 1.00 11.52 H new ATOM 0 HG13 VAL A 29 12.026 -5.564 -13.515 1.00 11.52 H new ATOM 0 HG21 VAL A 29 10.849 -8.399 -13.828 1.00 61.43 H new ATOM 0 HG22 VAL A 29 10.115 -7.137 -12.811 1.00 61.43 H new ATOM 0 HG23 VAL A 29 9.153 -7.924 -14.083 1.00 61.43 H new ATOM 469 N GLY A 30 10.899 -3.471 -15.707 1.00 14.44 N ATOM 470 CA GLY A 30 11.307 -2.529 -16.733 1.00 31.22 C ATOM 471 C GLY A 30 11.929 -1.274 -16.154 1.00 31.02 C ATOM 472 O GLY A 30 11.686 -0.929 -14.997 1.00 62.53 O ATOM 0 H GLY A 30 11.384 -3.370 -14.816 1.00 14.44 H new ATOM 0 HA2 GLY A 30 12.022 -3.010 -17.400 1.00 31.22 H new ATOM 0 HA3 GLY A 30 10.441 -2.256 -17.337 1.00 31.22 H new ATOM 476 N SER A 31 12.735 -0.589 -16.959 1.00 31.21 N ATOM 477 CA SER A 31 13.398 0.632 -16.518 1.00 4.11 C ATOM 478 C SER A 31 12.489 1.843 -16.707 1.00 64.21 C ATOM 479 O SER A 31 12.724 2.905 -16.132 1.00 74.13 O ATOM 480 CB SER A 31 14.704 0.835 -17.289 1.00 2.23 C ATOM 481 OG SER A 31 14.513 1.697 -18.397 1.00 44.12 O ATOM 0 H SER A 31 12.944 -0.859 -17.920 1.00 31.21 H new ATOM 0 HA SER A 31 13.623 0.531 -15.456 1.00 4.11 H new ATOM 0 HB2 SER A 31 15.461 1.253 -16.625 1.00 2.23 H new ATOM 0 HB3 SER A 31 15.080 -0.128 -17.634 1.00 2.23 H new ATOM 0 HG SER A 31 15.377 2.066 -18.677 1.00 44.12 H new ATOM 487 N GLY A 32 11.450 1.673 -17.519 1.00 12.43 N ATOM 488 CA GLY A 32 10.521 2.759 -17.770 1.00 54.44 C ATOM 489 C GLY A 32 11.224 4.052 -18.134 1.00 22.03 C ATOM 490 O GLY A 32 10.727 5.141 -17.846 1.00 30.11 O ATOM 0 H GLY A 32 11.235 0.803 -18.007 1.00 12.43 H new ATOM 0 HA2 GLY A 32 9.846 2.476 -18.578 1.00 54.44 H new ATOM 0 HA3 GLY A 32 9.907 2.920 -16.884 1.00 54.44 H new ATOM 494 N LYS A 33 12.386 3.933 -18.767 1.00 4.31 N ATOM 495 CA LYS A 33 13.161 5.101 -19.170 1.00 61.22 C ATOM 496 C LYS A 33 12.679 5.636 -20.515 1.00 15.25 C ATOM 497 O LYS A 33 11.998 6.660 -20.577 1.00 51.14 O ATOM 498 CB LYS A 33 14.648 4.748 -19.254 1.00 31.22 C ATOM 499 CG LYS A 33 15.513 5.880 -19.779 1.00 43.21 C ATOM 500 CD LYS A 33 16.977 5.673 -19.427 1.00 72.12 C ATOM 501 CE LYS A 33 17.291 6.180 -18.028 1.00 32.10 C ATOM 502 NZ LYS A 33 18.597 5.665 -17.531 1.00 73.44 N ATOM 0 H LYS A 33 12.812 3.039 -19.012 1.00 4.31 H new ATOM 0 HA LYS A 33 13.019 5.877 -18.418 1.00 61.22 H new ATOM 0 HB2 LYS A 33 15.001 4.461 -18.263 1.00 31.22 H new ATOM 0 HB3 LYS A 33 14.771 3.879 -19.900 1.00 31.22 H new ATOM 0 HG2 LYS A 33 15.405 5.950 -20.861 1.00 43.21 H new ATOM 0 HG3 LYS A 33 15.168 6.826 -19.362 1.00 43.21 H new ATOM 0 HD2 LYS A 33 17.222 4.613 -19.495 1.00 72.12 H new ATOM 0 HD3 LYS A 33 17.604 6.192 -20.152 1.00 72.12 H new ATOM 0 HE2 LYS A 33 17.308 7.270 -18.032 1.00 32.10 H new ATOM 0 HE3 LYS A 33 16.497 5.876 -17.345 1.00 32.10 H new ATOM 0 HZ1 LYS A 33 18.774 6.033 -16.575 1.00 73.44 H new ATOM 0 HZ2 LYS A 33 18.572 4.626 -17.503 1.00 73.44 H new ATOM 0 HZ3 LYS A 33 19.358 5.976 -18.168 1.00 73.44 H new ATOM 516 N ASP A 34 13.034 4.937 -21.587 1.00 30.24 N ATOM 517 CA ASP A 34 12.635 5.341 -22.930 1.00 33.32 C ATOM 518 C ASP A 34 12.063 4.158 -23.705 1.00 62.05 C ATOM 519 O ASP A 34 12.456 3.900 -24.842 1.00 64.32 O ATOM 520 CB ASP A 34 13.827 5.932 -23.683 1.00 41.31 C ATOM 521 CG ASP A 34 14.078 7.383 -23.322 1.00 2.12 C ATOM 522 OD1 ASP A 34 13.095 8.109 -23.062 1.00 24.35 O ATOM 523 OD2 ASP A 34 15.257 7.793 -23.298 1.00 64.25 O ATOM 0 H ASP A 34 13.598 4.088 -21.552 1.00 30.24 H new ATOM 0 HA ASP A 34 11.860 6.102 -22.839 1.00 33.32 H new ATOM 0 HB2 ASP A 34 14.719 5.346 -23.462 1.00 41.31 H new ATOM 0 HB3 ASP A 34 13.651 5.853 -24.756 1.00 41.31 H new ATOM 528 N GLY A 35 11.133 3.441 -23.082 1.00 12.43 N ATOM 529 CA GLY A 35 10.523 2.294 -23.728 1.00 23.21 C ATOM 530 C GLY A 35 11.208 0.992 -23.363 1.00 70.43 C ATOM 531 O GLY A 35 11.192 0.036 -24.139 1.00 30.31 O ATOM 0 H GLY A 35 10.791 3.634 -22.141 1.00 12.43 H new ATOM 0 HA2 GLY A 35 9.471 2.239 -23.447 1.00 23.21 H new ATOM 0 HA3 GLY A 35 10.557 2.429 -24.809 1.00 23.21 H new ATOM 535 N ARG A 36 11.813 0.954 -22.180 1.00 74.23 N ATOM 536 CA ARG A 36 12.509 -0.240 -21.716 1.00 33.10 C ATOM 537 C ARG A 36 11.536 -1.402 -21.536 1.00 55.52 C ATOM 538 O ARG A 36 11.917 -2.567 -21.650 1.00 51.21 O ATOM 539 CB ARG A 36 13.229 0.044 -20.397 1.00 1.52 C ATOM 540 CG ARG A 36 14.408 -0.879 -20.135 1.00 41.52 C ATOM 541 CD ARG A 36 15.733 -0.151 -20.303 1.00 31.13 C ATOM 542 NE ARG A 36 16.709 -0.953 -21.036 1.00 54.34 N ATOM 543 CZ ARG A 36 16.708 -1.083 -22.358 1.00 52.44 C ATOM 544 NH1 ARG A 36 15.788 -0.466 -23.088 1.00 32.52 N ATOM 545 NH2 ARG A 36 17.629 -1.830 -22.953 1.00 51.44 N ATOM 0 H ARG A 36 11.835 1.736 -21.526 1.00 74.23 H new ATOM 0 HA ARG A 36 13.244 -0.518 -22.472 1.00 33.10 H new ATOM 0 HB2 ARG A 36 13.580 1.076 -20.399 1.00 1.52 H new ATOM 0 HB3 ARG A 36 12.517 -0.049 -19.577 1.00 1.52 H new ATOM 0 HG2 ARG A 36 14.339 -1.282 -19.125 1.00 41.52 H new ATOM 0 HG3 ARG A 36 14.368 -1.726 -20.820 1.00 41.52 H new ATOM 0 HD2 ARG A 36 15.566 0.788 -20.830 1.00 31.13 H new ATOM 0 HD3 ARG A 36 16.135 0.101 -19.322 1.00 31.13 H new ATOM 0 HE ARG A 36 17.430 -1.440 -20.504 1.00 54.34 H new ATOM 0 HH11 ARG A 36 15.079 0.110 -22.634 1.00 32.52 H new ATOM 0 HH12 ARG A 36 15.790 -0.568 -24.103 1.00 32.52 H new ATOM 0 HH21 ARG A 36 18.339 -2.305 -22.395 1.00 51.44 H new ATOM 0 HH22 ARG A 36 17.627 -1.929 -23.968 1.00 51.44 H new ATOM 559 N ILE A 37 10.279 -1.075 -21.255 1.00 33.35 N ATOM 560 CA ILE A 37 9.252 -2.091 -21.060 1.00 33.13 C ATOM 561 C ILE A 37 8.682 -2.560 -22.394 1.00 64.33 C ATOM 562 O ILE A 37 7.688 -2.021 -22.882 1.00 43.40 O ATOM 563 CB ILE A 37 8.102 -1.567 -20.180 1.00 35.35 C ATOM 564 CG1 ILE A 37 8.643 -0.625 -19.102 1.00 70.23 C ATOM 565 CG2 ILE A 37 7.348 -2.728 -19.546 1.00 44.43 C ATOM 566 CD1 ILE A 37 7.596 -0.184 -18.104 1.00 30.14 C ATOM 0 H ILE A 37 9.948 -0.115 -21.157 1.00 33.35 H new ATOM 0 HA ILE A 37 9.731 -2.931 -20.557 1.00 33.13 H new ATOM 0 HB ILE A 37 7.409 -1.009 -20.809 1.00 35.35 H new ATOM 0 HG12 ILE A 37 9.454 -1.123 -18.570 1.00 70.23 H new ATOM 0 HG13 ILE A 37 9.070 0.256 -19.582 1.00 70.23 H new ATOM 0 HG21 ILE A 37 6.538 -2.341 -18.927 1.00 44.43 H new ATOM 0 HG22 ILE A 37 6.935 -3.364 -20.329 1.00 44.43 H new ATOM 0 HG23 ILE A 37 8.031 -3.311 -18.928 1.00 44.43 H new ATOM 0 HD11 ILE A 37 8.050 0.481 -17.370 1.00 30.14 H new ATOM 0 HD12 ILE A 37 6.796 0.342 -18.625 1.00 30.14 H new ATOM 0 HD13 ILE A 37 7.186 -1.057 -17.597 1.00 30.14 H new ATOM 578 N LEU A 38 9.317 -3.569 -22.980 1.00 25.51 N ATOM 579 CA LEU A 38 8.874 -4.114 -24.258 1.00 75.14 C ATOM 580 C LEU A 38 8.396 -5.554 -24.101 1.00 24.24 C ATOM 581 O LEU A 38 8.334 -6.081 -22.990 1.00 24.24 O ATOM 582 CB LEU A 38 10.007 -4.050 -25.284 1.00 11.23 C ATOM 583 CG LEU A 38 10.523 -2.652 -25.626 1.00 44.04 C ATOM 584 CD1 LEU A 38 12.027 -2.679 -25.852 1.00 2.03 C ATOM 585 CD2 LEU A 38 9.808 -2.105 -26.853 1.00 62.02 C ATOM 0 H LEU A 38 10.141 -4.026 -22.590 1.00 25.51 H new ATOM 0 HA LEU A 38 8.038 -3.510 -24.611 1.00 75.14 H new ATOM 0 HB2 LEU A 38 10.842 -4.643 -24.911 1.00 11.23 H new ATOM 0 HB3 LEU A 38 9.665 -4.525 -26.204 1.00 11.23 H new ATOM 0 HG LEU A 38 10.314 -1.992 -24.784 1.00 44.04 H new ATOM 0 HD11 LEU A 38 12.377 -1.675 -26.094 1.00 2.03 H new ATOM 0 HD12 LEU A 38 12.525 -3.028 -24.947 1.00 2.03 H new ATOM 0 HD13 LEU A 38 12.259 -3.353 -26.677 1.00 2.03 H new ATOM 0 HD21 LEU A 38 10.188 -1.109 -27.082 1.00 62.02 H new ATOM 0 HD22 LEU A 38 9.986 -2.765 -27.702 1.00 62.02 H new ATOM 0 HD23 LEU A 38 8.738 -2.048 -26.655 1.00 62.02 H new ATOM 597 N LYS A 39 8.062 -6.187 -25.220 1.00 32.21 N ATOM 598 CA LYS A 39 7.593 -7.568 -25.208 1.00 5.11 C ATOM 599 C LYS A 39 8.587 -8.473 -24.487 1.00 30.23 C ATOM 600 O LYS A 39 8.202 -9.470 -23.876 1.00 53.25 O ATOM 601 CB LYS A 39 7.378 -8.067 -26.638 1.00 74.33 C ATOM 602 CG LYS A 39 8.670 -8.321 -27.396 1.00 14.34 C ATOM 603 CD LYS A 39 8.438 -8.358 -28.897 1.00 10.11 C ATOM 604 CE LYS A 39 8.558 -6.973 -29.514 1.00 4.21 C ATOM 605 NZ LYS A 39 9.964 -6.480 -29.501 1.00 34.12 N ATOM 0 H LYS A 39 8.107 -5.766 -26.148 1.00 32.21 H new ATOM 0 HA LYS A 39 6.644 -7.599 -24.672 1.00 5.11 H new ATOM 0 HB2 LYS A 39 6.797 -8.989 -26.608 1.00 74.33 H new ATOM 0 HB3 LYS A 39 6.785 -7.334 -27.184 1.00 74.33 H new ATOM 0 HG2 LYS A 39 9.392 -7.540 -27.158 1.00 14.34 H new ATOM 0 HG3 LYS A 39 9.104 -9.266 -27.071 1.00 14.34 H new ATOM 0 HD2 LYS A 39 9.161 -9.028 -29.362 1.00 10.11 H new ATOM 0 HD3 LYS A 39 7.448 -8.765 -29.103 1.00 10.11 H new ATOM 0 HE2 LYS A 39 8.192 -7.000 -30.540 1.00 4.21 H new ATOM 0 HE3 LYS A 39 7.923 -6.276 -28.967 1.00 4.21 H new ATOM 0 HZ1 LYS A 39 10.077 -5.734 -30.217 1.00 34.12 H new ATOM 0 HZ2 LYS A 39 10.188 -6.095 -28.561 1.00 34.12 H new ATOM 0 HZ3 LYS A 39 10.610 -7.266 -29.716 1.00 34.12 H new ATOM 619 N GLU A 40 9.866 -8.118 -24.561 1.00 30.24 N ATOM 620 CA GLU A 40 10.913 -8.899 -23.914 1.00 25.44 C ATOM 621 C GLU A 40 10.746 -8.883 -22.397 1.00 3.12 C ATOM 622 O GLU A 40 11.061 -9.860 -21.716 1.00 54.44 O ATOM 623 CB GLU A 40 12.293 -8.356 -24.291 1.00 50.15 C ATOM 624 CG GLU A 40 12.449 -8.071 -25.776 1.00 2.02 C ATOM 625 CD GLU A 40 13.871 -8.276 -26.263 1.00 34.13 C ATOM 626 OE1 GLU A 40 14.224 -9.426 -26.597 1.00 74.14 O ATOM 627 OE2 GLU A 40 14.630 -7.285 -26.309 1.00 72.51 O ATOM 0 H GLU A 40 10.201 -7.295 -25.062 1.00 30.24 H new ATOM 0 HA GLU A 40 10.828 -9.929 -24.261 1.00 25.44 H new ATOM 0 HB2 GLU A 40 12.479 -7.439 -23.732 1.00 50.15 H new ATOM 0 HB3 GLU A 40 13.053 -9.075 -23.986 1.00 50.15 H new ATOM 0 HG2 GLU A 40 11.779 -8.720 -26.339 1.00 2.02 H new ATOM 0 HG3 GLU A 40 12.144 -7.045 -25.979 1.00 2.02 H new ATOM 634 N ASP A 41 10.250 -7.767 -21.875 1.00 0.15 N ATOM 635 CA ASP A 41 10.040 -7.622 -20.439 1.00 21.13 C ATOM 636 C ASP A 41 8.648 -8.103 -20.042 1.00 20.43 C ATOM 637 O ASP A 41 8.451 -8.625 -18.944 1.00 13.12 O ATOM 638 CB ASP A 41 10.228 -6.163 -20.019 1.00 30.53 C ATOM 639 CG ASP A 41 11.682 -5.818 -19.762 1.00 54.51 C ATOM 640 OD1 ASP A 41 12.491 -5.917 -20.708 1.00 34.01 O ATOM 641 OD2 ASP A 41 12.010 -5.448 -18.615 1.00 63.11 O ATOM 0 H ASP A 41 9.986 -6.949 -22.425 1.00 0.15 H new ATOM 0 HA ASP A 41 10.778 -8.238 -19.925 1.00 21.13 H new ATOM 0 HB2 ASP A 41 9.835 -5.510 -20.798 1.00 30.53 H new ATOM 0 HB3 ASP A 41 9.647 -5.970 -19.117 1.00 30.53 H new ATOM 646 N ILE A 42 7.687 -7.924 -20.941 1.00 53.13 N ATOM 647 CA ILE A 42 6.314 -8.340 -20.684 1.00 54.15 C ATOM 648 C ILE A 42 6.176 -9.857 -20.757 1.00 40.10 C ATOM 649 O ILE A 42 5.698 -10.494 -19.817 1.00 41.32 O ATOM 650 CB ILE A 42 5.334 -7.698 -21.685 1.00 65.54 C ATOM 651 CG1 ILE A 42 5.402 -6.173 -21.592 1.00 13.25 C ATOM 652 CG2 ILE A 42 3.917 -8.189 -21.428 1.00 43.52 C ATOM 653 CD1 ILE A 42 4.924 -5.627 -20.264 1.00 25.53 C ATOM 0 H ILE A 42 7.834 -7.494 -21.854 1.00 53.13 H new ATOM 0 HA ILE A 42 6.066 -8.003 -19.678 1.00 54.15 H new ATOM 0 HB ILE A 42 5.622 -7.994 -22.694 1.00 65.54 H new ATOM 0 HG12 ILE A 42 6.430 -5.852 -21.759 1.00 13.25 H new ATOM 0 HG13 ILE A 42 4.800 -5.741 -22.391 1.00 13.25 H new ATOM 0 HG21 ILE A 42 3.236 -7.727 -22.143 1.00 43.52 H new ATOM 0 HG22 ILE A 42 3.881 -9.272 -21.541 1.00 43.52 H new ATOM 0 HG23 ILE A 42 3.617 -7.920 -20.415 1.00 43.52 H new ATOM 0 HD11 ILE A 42 5.000 -4.540 -20.269 1.00 25.53 H new ATOM 0 HD12 ILE A 42 3.886 -5.917 -20.104 1.00 25.53 H new ATOM 0 HD13 ILE A 42 5.541 -6.030 -19.461 1.00 25.53 H new ATOM 665 N LEU A 43 6.599 -10.431 -21.878 1.00 4.32 N ATOM 666 CA LEU A 43 6.526 -11.874 -22.073 1.00 73.53 C ATOM 667 C LEU A 43 7.169 -12.616 -20.906 1.00 1.44 C ATOM 668 O LEU A 43 6.640 -13.617 -20.426 1.00 74.11 O ATOM 669 CB LEU A 43 7.213 -12.267 -23.382 1.00 72.53 C ATOM 670 CG LEU A 43 6.705 -13.546 -24.049 1.00 72.23 C ATOM 671 CD1 LEU A 43 5.479 -13.254 -24.900 1.00 52.43 C ATOM 672 CD2 LEU A 43 7.802 -14.180 -24.892 1.00 20.33 C ATOM 0 H LEU A 43 6.996 -9.919 -22.666 1.00 4.32 H new ATOM 0 HA LEU A 43 5.474 -12.155 -22.122 1.00 73.53 H new ATOM 0 HB2 LEU A 43 7.102 -11.444 -24.088 1.00 72.53 H new ATOM 0 HB3 LEU A 43 8.280 -12.381 -23.189 1.00 72.53 H new ATOM 0 HG LEU A 43 6.420 -14.251 -23.268 1.00 72.23 H new ATOM 0 HD11 LEU A 43 5.132 -14.176 -25.367 1.00 52.43 H new ATOM 0 HD12 LEU A 43 4.688 -12.846 -24.271 1.00 52.43 H new ATOM 0 HD13 LEU A 43 5.737 -12.531 -25.674 1.00 52.43 H new ATOM 0 HD21 LEU A 43 7.423 -15.089 -25.359 1.00 20.33 H new ATOM 0 HD22 LEU A 43 8.118 -13.479 -25.665 1.00 20.33 H new ATOM 0 HD23 LEU A 43 8.653 -14.426 -24.257 1.00 20.33 H new ATOM 684 N ASN A 44 8.313 -12.115 -20.452 1.00 4.43 N ATOM 685 CA ASN A 44 9.028 -12.728 -19.339 1.00 24.44 C ATOM 686 C ASN A 44 8.241 -12.583 -18.040 1.00 2.31 C ATOM 687 O ASN A 44 8.362 -13.407 -17.133 1.00 55.30 O ATOM 688 CB ASN A 44 10.412 -12.095 -19.183 1.00 64.00 C ATOM 689 CG ASN A 44 11.340 -12.935 -18.326 1.00 15.12 C ATOM 690 OD1 ASN A 44 11.921 -12.445 -17.358 1.00 22.45 O ATOM 691 ND2 ASN A 44 11.481 -14.207 -18.679 1.00 64.14 N ATOM 0 H ASN A 44 8.765 -11.286 -20.838 1.00 4.43 H new ATOM 0 HA ASN A 44 9.144 -13.790 -19.556 1.00 24.44 H new ATOM 0 HB2 ASN A 44 10.858 -11.956 -20.168 1.00 64.00 H new ATOM 0 HB3 ASN A 44 10.308 -11.105 -18.738 1.00 64.00 H new ATOM 0 HD21 ASN A 44 12.091 -14.821 -18.140 1.00 64.14 H new ATOM 0 HD22 ASN A 44 10.979 -14.570 -19.489 1.00 64.14 H new ATOM 698 N TYR A 45 7.435 -11.530 -17.958 1.00 45.21 N ATOM 699 CA TYR A 45 6.630 -11.275 -16.770 1.00 55.41 C ATOM 700 C TYR A 45 5.382 -12.153 -16.759 1.00 22.11 C ATOM 701 O TYR A 45 5.108 -12.851 -15.781 1.00 42.24 O ATOM 702 CB TYR A 45 6.229 -9.800 -16.707 1.00 53.22 C ATOM 703 CG TYR A 45 5.539 -9.414 -15.418 1.00 61.21 C ATOM 704 CD1 TYR A 45 6.273 -9.110 -14.278 1.00 50.03 C ATOM 705 CD2 TYR A 45 4.153 -9.353 -15.340 1.00 60.13 C ATOM 706 CE1 TYR A 45 5.647 -8.758 -13.098 1.00 71.04 C ATOM 707 CE2 TYR A 45 3.518 -9.001 -14.165 1.00 4.41 C ATOM 708 CZ TYR A 45 4.270 -8.705 -13.047 1.00 14.53 C ATOM 709 OH TYR A 45 3.642 -8.353 -11.874 1.00 1.15 O ATOM 0 H TYR A 45 7.322 -10.840 -18.700 1.00 45.21 H new ATOM 0 HA TYR A 45 7.232 -11.519 -15.895 1.00 55.41 H new ATOM 0 HB2 TYR A 45 7.120 -9.184 -16.831 1.00 53.22 H new ATOM 0 HB3 TYR A 45 5.568 -9.576 -17.544 1.00 53.22 H new ATOM 0 HD1 TYR A 45 7.352 -9.150 -14.315 1.00 50.03 H new ATOM 0 HD2 TYR A 45 3.562 -9.585 -16.214 1.00 60.13 H new ATOM 0 HE1 TYR A 45 6.232 -8.526 -12.221 1.00 71.04 H new ATOM 0 HE2 TYR A 45 2.440 -8.958 -14.122 1.00 4.41 H new ATOM 0 HH TYR A 45 4.280 -8.409 -11.132 1.00 1.15 H new ATOM 719 N LEU A 46 4.630 -12.114 -17.853 1.00 33.21 N ATOM 720 CA LEU A 46 3.411 -12.907 -17.972 1.00 13.24 C ATOM 721 C LEU A 46 3.687 -14.378 -17.676 1.00 54.44 C ATOM 722 O LEU A 46 2.808 -15.102 -17.209 1.00 42.33 O ATOM 723 CB LEU A 46 2.817 -12.759 -19.374 1.00 2.14 C ATOM 724 CG LEU A 46 2.500 -11.331 -19.821 1.00 61.51 C ATOM 725 CD1 LEU A 46 1.771 -11.340 -21.156 1.00 32.04 C ATOM 726 CD2 LEU A 46 1.674 -10.612 -18.764 1.00 63.35 C ATOM 0 H LEU A 46 4.842 -11.542 -18.670 1.00 33.21 H new ATOM 0 HA LEU A 46 2.693 -12.537 -17.240 1.00 13.24 H new ATOM 0 HB2 LEU A 46 3.513 -13.196 -20.090 1.00 2.14 H new ATOM 0 HB3 LEU A 46 1.900 -13.346 -19.422 1.00 2.14 H new ATOM 0 HG LEU A 46 3.439 -10.792 -19.947 1.00 61.51 H new ATOM 0 HD11 LEU A 46 1.553 -10.316 -21.459 1.00 32.04 H new ATOM 0 HD12 LEU A 46 2.398 -11.816 -21.910 1.00 32.04 H new ATOM 0 HD13 LEU A 46 0.838 -11.895 -21.057 1.00 32.04 H new ATOM 0 HD21 LEU A 46 1.458 -9.598 -19.099 1.00 63.35 H new ATOM 0 HD22 LEU A 46 0.739 -11.149 -18.606 1.00 63.35 H new ATOM 0 HD23 LEU A 46 2.233 -10.574 -17.829 1.00 63.35 H new ATOM 738 N GLU A 47 4.913 -14.811 -17.950 1.00 62.05 N ATOM 739 CA GLU A 47 5.304 -16.195 -17.713 1.00 23.45 C ATOM 740 C GLU A 47 5.659 -16.416 -16.245 1.00 2.01 C ATOM 741 O GLU A 47 5.163 -17.345 -15.607 1.00 11.43 O ATOM 742 CB GLU A 47 6.494 -16.572 -18.598 1.00 72.13 C ATOM 743 CG GLU A 47 6.114 -16.844 -20.044 1.00 50.32 C ATOM 744 CD GLU A 47 7.323 -16.965 -20.952 1.00 54.20 C ATOM 745 OE1 GLU A 47 8.251 -16.141 -20.817 1.00 63.14 O ATOM 746 OE2 GLU A 47 7.339 -17.884 -21.797 1.00 62.22 O ATOM 0 H GLU A 47 5.652 -14.224 -18.336 1.00 62.05 H new ATOM 0 HA GLU A 47 4.457 -16.833 -17.965 1.00 23.45 H new ATOM 0 HB2 GLU A 47 7.227 -15.766 -18.569 1.00 72.13 H new ATOM 0 HB3 GLU A 47 6.977 -17.458 -18.185 1.00 72.13 H new ATOM 0 HG2 GLU A 47 5.532 -17.764 -20.096 1.00 50.32 H new ATOM 0 HG3 GLU A 47 5.472 -16.040 -20.405 1.00 50.32 H new ATOM 753 N LYS A 48 6.522 -15.556 -15.715 1.00 43.33 N ATOM 754 CA LYS A 48 6.945 -15.654 -14.323 1.00 53.12 C ATOM 755 C LYS A 48 5.776 -15.388 -13.380 1.00 11.11 C ATOM 756 O LYS A 48 4.791 -14.757 -13.762 1.00 35.24 O ATOM 757 CB LYS A 48 8.077 -14.664 -14.041 1.00 50.23 C ATOM 758 CG LYS A 48 8.952 -15.060 -12.865 1.00 3.31 C ATOM 759 CD LYS A 48 10.301 -14.361 -12.913 1.00 52.11 C ATOM 760 CE LYS A 48 11.026 -14.457 -11.580 1.00 2.24 C ATOM 761 NZ LYS A 48 10.402 -13.587 -10.545 1.00 35.34 N ATOM 0 H LYS A 48 6.943 -14.782 -16.229 1.00 43.33 H new ATOM 0 HA LYS A 48 7.306 -16.668 -14.150 1.00 53.12 H new ATOM 0 HB2 LYS A 48 8.699 -14.573 -14.931 1.00 50.23 H new ATOM 0 HB3 LYS A 48 7.649 -13.680 -13.849 1.00 50.23 H new ATOM 0 HG2 LYS A 48 8.445 -14.811 -11.933 1.00 3.31 H new ATOM 0 HG3 LYS A 48 9.100 -16.140 -12.868 1.00 3.31 H new ATOM 0 HD2 LYS A 48 10.915 -14.807 -13.695 1.00 52.11 H new ATOM 0 HD3 LYS A 48 10.160 -13.313 -13.177 1.00 52.11 H new ATOM 0 HE2 LYS A 48 11.019 -15.492 -11.237 1.00 2.24 H new ATOM 0 HE3 LYS A 48 12.070 -14.172 -11.713 1.00 2.24 H new ATOM 0 HZ1 LYS A 48 11.048 -13.493 -9.735 1.00 35.34 H new ATOM 0 HZ2 LYS A 48 10.214 -12.647 -10.949 1.00 35.34 H new ATOM 0 HZ3 LYS A 48 9.508 -14.012 -10.227 1.00 35.34 H new ATOM 775 N GLN A 49 5.894 -15.872 -12.148 1.00 10.54 N ATOM 776 CA GLN A 49 4.847 -15.684 -11.150 1.00 73.44 C ATOM 777 C GLN A 49 4.855 -14.257 -10.614 1.00 10.04 C ATOM 778 O GLN A 49 5.892 -13.593 -10.599 1.00 61.04 O ATOM 779 CB GLN A 49 5.026 -16.676 -9.999 1.00 41.15 C ATOM 780 CG GLN A 49 6.375 -16.567 -9.307 1.00 42.04 C ATOM 781 CD GLN A 49 6.416 -17.312 -7.988 1.00 21.21 C ATOM 782 OE1 GLN A 49 6.821 -16.762 -6.963 1.00 54.02 O ATOM 783 NE2 GLN A 49 5.996 -18.572 -8.006 1.00 0.33 N ATOM 0 H GLN A 49 6.703 -16.397 -11.817 1.00 10.54 H new ATOM 0 HA GLN A 49 3.886 -15.866 -11.630 1.00 73.44 H new ATOM 0 HB2 GLN A 49 4.236 -16.515 -9.265 1.00 41.15 H new ATOM 0 HB3 GLN A 49 4.904 -17.689 -10.381 1.00 41.15 H new ATOM 0 HG2 GLN A 49 7.150 -16.959 -9.966 1.00 42.04 H new ATOM 0 HG3 GLN A 49 6.606 -15.516 -9.134 1.00 42.04 H new ATOM 0 HE21 GLN A 49 5.669 -18.988 -8.878 1.00 0.33 H new ATOM 0 HE22 GLN A 49 6.001 -19.124 -7.148 1.00 0.33 H new ATOM 792 N THR A 50 3.691 -13.789 -10.172 1.00 64.12 N ATOM 793 CA THR A 50 3.564 -12.440 -9.636 1.00 1.02 C ATOM 794 C THR A 50 3.237 -12.469 -8.147 1.00 54.23 C ATOM 795 O THR A 50 3.576 -11.544 -7.408 1.00 42.43 O ATOM 796 CB THR A 50 2.473 -11.642 -10.375 1.00 31.34 C ATOM 797 OG1 THR A 50 2.336 -10.342 -9.790 1.00 34.52 O ATOM 798 CG2 THR A 50 1.139 -12.372 -10.321 1.00 1.25 C ATOM 0 H THR A 50 2.823 -14.325 -10.175 1.00 64.12 H new ATOM 0 HA THR A 50 4.526 -11.949 -9.784 1.00 1.02 H new ATOM 0 HB THR A 50 2.771 -11.540 -11.418 1.00 31.34 H new ATOM 0 HG1 THR A 50 2.032 -9.707 -10.472 1.00 34.52 H new ATOM 0 HG21 THR A 50 0.384 -11.790 -10.849 1.00 1.25 H new ATOM 0 HG22 THR A 50 1.240 -13.349 -10.793 1.00 1.25 H new ATOM 0 HG23 THR A 50 0.836 -12.501 -9.282 1.00 1.25 H new ATOM 806 N LEU A 51 2.576 -13.536 -7.712 1.00 54.24 N ATOM 807 CA LEU A 51 2.203 -13.686 -6.310 1.00 55.40 C ATOM 808 C LEU A 51 3.277 -14.446 -5.539 1.00 11.20 C ATOM 809 O LEU A 51 4.244 -14.934 -6.122 1.00 42.22 O ATOM 810 CB LEU A 51 0.863 -14.415 -6.193 1.00 52.34 C ATOM 811 CG LEU A 51 -0.372 -13.622 -6.624 1.00 31.41 C ATOM 812 CD1 LEU A 51 -1.574 -14.543 -6.768 1.00 64.52 C ATOM 813 CD2 LEU A 51 -0.667 -12.511 -5.627 1.00 43.34 C ATOM 0 H LEU A 51 2.287 -14.310 -8.310 1.00 54.24 H new ATOM 0 HA LEU A 51 2.107 -12.690 -5.877 1.00 55.40 H new ATOM 0 HB2 LEU A 51 0.913 -15.325 -6.792 1.00 52.34 H new ATOM 0 HB3 LEU A 51 0.729 -14.723 -5.156 1.00 52.34 H new ATOM 0 HG LEU A 51 -0.168 -13.169 -7.594 1.00 31.41 H new ATOM 0 HD11 LEU A 51 -2.443 -13.961 -7.075 1.00 64.52 H new ATOM 0 HD12 LEU A 51 -1.362 -15.303 -7.520 1.00 64.52 H new ATOM 0 HD13 LEU A 51 -1.779 -15.025 -5.812 1.00 64.52 H new ATOM 0 HD21 LEU A 51 -1.549 -11.957 -5.950 1.00 43.34 H new ATOM 0 HD22 LEU A 51 -0.850 -12.944 -4.644 1.00 43.34 H new ATOM 0 HD23 LEU A 51 0.186 -11.835 -5.573 1.00 43.34 H new ATOM 825 N GLU A 52 3.098 -14.543 -4.225 1.00 61.33 N ATOM 826 CA GLU A 52 4.052 -15.246 -3.375 1.00 42.32 C ATOM 827 C GLU A 52 4.137 -16.721 -3.756 1.00 34.12 C ATOM 828 O GLU A 52 4.811 -17.506 -3.090 1.00 44.13 O ATOM 829 CB GLU A 52 3.655 -15.109 -1.904 1.00 21.12 C ATOM 830 CG GLU A 52 4.102 -13.802 -1.271 1.00 44.15 C ATOM 831 CD GLU A 52 3.336 -13.475 -0.004 1.00 45.33 C ATOM 832 OE1 GLU A 52 2.091 -13.568 -0.024 1.00 2.01 O ATOM 833 OE2 GLU A 52 3.982 -13.125 1.006 1.00 34.41 O ATOM 0 H GLU A 52 2.302 -14.144 -3.727 1.00 61.33 H new ATOM 0 HA GLU A 52 5.033 -14.794 -3.523 1.00 42.32 H new ATOM 0 HB2 GLU A 52 2.571 -15.192 -1.820 1.00 21.12 H new ATOM 0 HB3 GLU A 52 4.082 -15.940 -1.342 1.00 21.12 H new ATOM 0 HG2 GLU A 52 5.166 -13.858 -1.043 1.00 44.15 H new ATOM 0 HG3 GLU A 52 3.972 -12.992 -1.989 1.00 44.15 H new TER 840 GLU A 52