USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 582 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0558 USER MOD Single : A 5 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000549) USER MOD Single : A 10 LYS NZ :NH3+ -153:sc= -0.027 (180deg=-0.346) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 135:sc= -7.93! USER MOD Single : A 38 LYS NZ :NH3+ -136:sc= 1.15 (180deg=-0.76) USER MOD Single : A 39 LYS NZ :NH3+ -168:sc= -0.445 (180deg=-0.728) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0492) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.967 -7.119 8.837 1.00 0.00 N ATOM 2 CA GLY A 1 -15.504 -5.728 8.581 1.00 0.00 C ATOM 3 C GLY A 1 -15.710 -5.303 7.140 1.00 0.00 C ATOM 4 O GLY A 1 -15.081 -5.844 6.230 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.804 -7.361 9.835 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.982 -7.192 8.624 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.438 -7.778 8.231 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.040 -5.043 9.238 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.446 -5.649 8.832 1.00 0.00 H new ATOM 10 N SER A 2 -16.593 -4.333 6.933 1.00 0.00 N ATOM 11 CA SER A 2 -16.882 -3.836 5.592 1.00 0.00 C ATOM 12 C SER A 2 -15.973 -2.665 5.238 1.00 0.00 C ATOM 13 O SER A 2 -15.466 -2.576 4.119 1.00 0.00 O ATOM 14 CB SER A 2 -18.348 -3.409 5.489 1.00 0.00 C ATOM 15 OG SER A 2 -18.851 -3.004 6.751 1.00 0.00 O ATOM 0 H SER A 2 -17.121 -3.875 7.676 1.00 0.00 H new ATOM 0 HA SER A 2 -16.695 -4.644 4.884 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.442 -2.590 4.776 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.945 -4.236 5.104 1.00 0.00 H new ATOM 0 HG SER A 2 -19.789 -2.734 6.658 1.00 0.00 H new ATOM 21 N ARG A 3 -15.769 -1.767 6.198 1.00 0.00 N ATOM 22 CA ARG A 3 -14.920 -0.602 5.985 1.00 0.00 C ATOM 23 C ARG A 3 -13.448 -1.001 5.951 1.00 0.00 C ATOM 24 O ARG A 3 -12.656 -0.424 5.206 1.00 0.00 O ATOM 25 CB ARG A 3 -15.157 0.438 7.080 1.00 0.00 C ATOM 26 CG ARG A 3 -14.860 -0.073 8.481 1.00 0.00 C ATOM 27 CD ARG A 3 -13.547 0.479 9.012 1.00 0.00 C ATOM 28 NE ARG A 3 -13.752 1.411 10.119 1.00 0.00 N ATOM 29 CZ ARG A 3 -13.901 2.727 9.971 1.00 0.00 C ATOM 30 NH1 ARG A 3 -13.873 3.279 8.763 1.00 0.00 N1+ ATOM 31 NH2 ARG A 3 -14.082 3.496 11.036 1.00 0.00 N ATOM 0 H ARG A 3 -16.180 -1.825 7.130 1.00 0.00 H new ATOM 0 HA ARG A 3 -15.181 -0.165 5.021 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -14.535 1.311 6.881 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -16.194 0.770 7.036 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -15.672 0.209 9.151 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -14.820 -1.162 8.471 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -12.915 -0.345 9.344 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -13.014 0.984 8.207 1.00 0.00 H new ATOM 0 HE ARG A 3 -13.783 1.030 11.065 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -13.737 2.695 7.938 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -13.988 4.287 8.660 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -14.107 3.080 11.967 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -14.196 4.503 10.924 1.00 0.00 H new ATOM 45 N VAL A 4 -13.088 -1.995 6.759 1.00 0.00 N ATOM 46 CA VAL A 4 -11.712 -2.472 6.815 1.00 0.00 C ATOM 47 C VAL A 4 -11.353 -3.249 5.552 1.00 0.00 C ATOM 48 O VAL A 4 -10.287 -3.047 4.970 1.00 0.00 O ATOM 49 CB VAL A 4 -11.477 -3.374 8.043 1.00 0.00 C ATOM 50 CG1 VAL A 4 -10.007 -3.738 8.169 1.00 0.00 C ATOM 51 CG2 VAL A 4 -11.976 -2.694 9.309 1.00 0.00 C ATOM 0 H VAL A 4 -13.730 -2.484 7.383 1.00 0.00 H new ATOM 0 HA VAL A 4 -11.074 -1.592 6.895 1.00 0.00 H new ATOM 0 HB VAL A 4 -12.043 -4.295 7.905 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.863 -4.375 9.042 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.686 -4.271 7.274 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.416 -2.829 8.281 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -11.802 -3.346 10.165 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.441 -1.755 9.453 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -13.043 -2.493 9.218 1.00 0.00 H new ATOM 61 N LYS A 5 -12.254 -4.132 5.127 1.00 0.00 N ATOM 62 CA LYS A 5 -12.029 -4.930 3.926 1.00 0.00 C ATOM 63 C LYS A 5 -11.866 -4.023 2.714 1.00 0.00 C ATOM 64 O LYS A 5 -11.001 -4.247 1.871 1.00 0.00 O ATOM 65 CB LYS A 5 -13.186 -5.909 3.706 1.00 0.00 C ATOM 66 CG LYS A 5 -13.200 -6.542 2.321 1.00 0.00 C ATOM 67 CD LYS A 5 -11.863 -7.179 1.984 1.00 0.00 C ATOM 68 CE LYS A 5 -12.032 -8.374 1.060 1.00 0.00 C ATOM 69 NZ LYS A 5 -12.558 -7.974 -0.273 1.00 0.00 N1+ ATOM 0 H LYS A 5 -13.143 -4.312 5.595 1.00 0.00 H new ATOM 0 HA LYS A 5 -11.112 -5.505 4.059 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -13.129 -6.698 4.456 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -14.128 -5.385 3.865 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.985 -7.296 2.273 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.440 -5.783 1.576 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.216 -6.440 1.511 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.368 -7.495 2.902 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -11.072 -8.876 0.936 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -12.711 -9.094 1.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.643 -8.815 -0.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -13.493 -7.533 -0.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.906 -7.294 -0.714 1.00 0.00 H new ATOM 83 N ALA A 6 -12.698 -2.989 2.641 1.00 0.00 N ATOM 84 CA ALA A 6 -12.637 -2.038 1.541 1.00 0.00 C ATOM 85 C ALA A 6 -11.244 -1.430 1.452 1.00 0.00 C ATOM 86 O ALA A 6 -10.735 -1.157 0.365 1.00 0.00 O ATOM 87 CB ALA A 6 -13.687 -0.953 1.721 1.00 0.00 C ATOM 0 H ALA A 6 -13.422 -2.790 3.331 1.00 0.00 H new ATOM 0 HA ALA A 6 -12.846 -2.563 0.609 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.629 -0.249 0.891 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.678 -1.406 1.744 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.508 -0.425 2.657 1.00 0.00 H new ATOM 93 N LEU A 7 -10.636 -1.230 2.614 1.00 0.00 N ATOM 94 CA LEU A 7 -9.298 -0.664 2.704 1.00 0.00 C ATOM 95 C LEU A 7 -8.294 -1.523 1.941 1.00 0.00 C ATOM 96 O LEU A 7 -7.428 -1.010 1.235 1.00 0.00 O ATOM 97 CB LEU A 7 -8.885 -0.568 4.172 1.00 0.00 C ATOM 98 CG LEU A 7 -8.150 0.710 4.567 1.00 0.00 C ATOM 99 CD1 LEU A 7 -6.762 0.740 3.947 1.00 0.00 C ATOM 100 CD2 LEU A 7 -8.950 1.936 4.154 1.00 0.00 C ATOM 0 H LEU A 7 -11.055 -1.455 3.517 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.308 0.330 2.258 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.779 -0.657 4.789 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.248 -1.420 4.408 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.041 0.723 5.651 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.253 1.658 4.239 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.189 -0.119 4.295 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.848 0.703 2.861 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.410 2.837 4.444 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.093 1.930 3.073 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.921 1.920 4.648 1.00 0.00 H new ATOM 112 N GLU A 8 -8.417 -2.835 2.097 1.00 0.00 N ATOM 113 CA GLU A 8 -7.523 -3.777 1.432 1.00 0.00 C ATOM 114 C GLU A 8 -7.664 -3.704 -0.090 1.00 0.00 C ATOM 115 O GLU A 8 -6.705 -3.940 -0.825 1.00 0.00 O ATOM 116 CB GLU A 8 -7.800 -5.206 1.930 1.00 0.00 C ATOM 117 CG GLU A 8 -8.796 -5.988 1.083 1.00 0.00 C ATOM 118 CD GLU A 8 -8.137 -6.709 -0.076 1.00 0.00 C ATOM 119 OE1 GLU A 8 -7.606 -7.819 0.141 1.00 0.00 O1- ATOM 120 OE2 GLU A 8 -8.150 -6.165 -1.199 1.00 0.00 O ATOM 0 H GLU A 8 -9.130 -3.273 2.680 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.498 -3.504 1.681 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.859 -5.755 1.961 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.173 -5.155 2.953 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.311 -6.714 1.712 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.554 -5.306 0.698 1.00 0.00 H new ATOM 127 N GLU A 9 -8.870 -3.394 -0.553 1.00 0.00 N ATOM 128 CA GLU A 9 -9.148 -3.310 -1.984 1.00 0.00 C ATOM 129 C GLU A 9 -8.411 -2.147 -2.647 1.00 0.00 C ATOM 130 O GLU A 9 -7.969 -2.261 -3.788 1.00 0.00 O ATOM 131 CB GLU A 9 -10.653 -3.167 -2.218 1.00 0.00 C ATOM 132 CG GLU A 9 -11.401 -4.490 -2.202 1.00 0.00 C ATOM 133 CD GLU A 9 -12.103 -4.780 -3.515 1.00 0.00 C ATOM 134 OE1 GLU A 9 -11.462 -4.632 -4.577 1.00 0.00 O1- ATOM 135 OE2 GLU A 9 -13.294 -5.154 -3.481 1.00 0.00 O ATOM 0 H GLU A 9 -9.674 -3.196 0.043 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.788 -4.233 -2.439 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.071 -2.514 -1.452 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.818 -2.678 -3.178 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.701 -5.296 -1.983 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.135 -4.478 -1.397 1.00 0.00 H new ATOM 142 N LYS A 10 -8.299 -1.028 -1.941 1.00 0.00 N ATOM 143 CA LYS A 10 -7.631 0.154 -2.483 1.00 0.00 C ATOM 144 C LYS A 10 -6.114 -0.030 -2.560 1.00 0.00 C ATOM 145 O LYS A 10 -5.468 0.482 -3.473 1.00 0.00 O ATOM 146 CB LYS A 10 -7.967 1.390 -1.644 1.00 0.00 C ATOM 147 CG LYS A 10 -7.530 1.286 -0.192 1.00 0.00 C ATOM 148 CD LYS A 10 -7.169 2.648 0.380 1.00 0.00 C ATOM 149 CE LYS A 10 -5.663 2.859 0.408 1.00 0.00 C ATOM 150 NZ LYS A 10 -5.286 4.227 -0.045 1.00 0.00 N1+ ATOM 0 H LYS A 10 -8.660 -0.912 -0.994 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.000 0.296 -3.499 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.493 2.262 -2.094 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.043 1.559 -1.678 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.331 0.843 0.399 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.671 0.619 -0.116 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.636 3.430 -0.218 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.569 2.737 1.390 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.292 2.697 1.420 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.181 2.119 -0.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.327 4.208 -0.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.958 4.550 -0.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.310 4.880 0.764 1.00 0.00 H new ATOM 164 N VAL A 11 -5.550 -0.746 -1.593 1.00 0.00 N ATOM 165 CA VAL A 11 -4.107 -0.973 -1.553 1.00 0.00 C ATOM 166 C VAL A 11 -3.625 -1.800 -2.742 1.00 0.00 C ATOM 167 O VAL A 11 -2.574 -1.516 -3.313 1.00 0.00 O ATOM 168 CB VAL A 11 -3.688 -1.684 -0.248 1.00 0.00 C ATOM 169 CG1 VAL A 11 -2.177 -1.888 -0.197 1.00 0.00 C ATOM 170 CG2 VAL A 11 -4.164 -0.895 0.962 1.00 0.00 C ATOM 0 H VAL A 11 -6.067 -1.179 -0.828 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.642 0.012 -1.598 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.160 -2.666 -0.229 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.909 -2.391 0.732 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.864 -2.499 -1.044 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.677 -0.920 -0.243 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.861 -1.409 1.874 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.722 0.101 0.943 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.250 -0.811 0.937 1.00 0.00 H new ATOM 180 N LYS A 12 -4.385 -2.828 -3.099 1.00 0.00 N ATOM 181 CA LYS A 12 -4.018 -3.699 -4.211 1.00 0.00 C ATOM 182 C LYS A 12 -4.134 -2.977 -5.543 1.00 0.00 C ATOM 183 O LYS A 12 -3.303 -3.161 -6.432 1.00 0.00 O ATOM 184 CB LYS A 12 -4.885 -4.956 -4.222 1.00 0.00 C ATOM 185 CG LYS A 12 -4.330 -6.062 -5.104 1.00 0.00 C ATOM 186 CD LYS A 12 -4.743 -7.431 -4.599 1.00 0.00 C ATOM 187 CE LYS A 12 -4.273 -8.537 -5.532 1.00 0.00 C ATOM 188 NZ LYS A 12 -5.223 -8.756 -6.657 1.00 0.00 N1+ ATOM 0 H LYS A 12 -5.258 -3.080 -2.636 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.977 -3.988 -4.069 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.984 -5.329 -3.203 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.886 -4.695 -4.565 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.684 -5.927 -6.126 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.242 -5.996 -5.133 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.328 -7.593 -3.604 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.828 -7.472 -4.503 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.291 -8.283 -5.931 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.158 -9.463 -4.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.866 -9.517 -7.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.154 -9.024 -6.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.313 -7.880 -7.211 1.00 0.00 H new ATOM 202 N ALA A 13 -5.163 -2.152 -5.677 1.00 0.00 N ATOM 203 CA ALA A 13 -5.370 -1.402 -6.906 1.00 0.00 C ATOM 204 C ALA A 13 -4.136 -0.572 -7.210 1.00 0.00 C ATOM 205 O ALA A 13 -3.735 -0.426 -8.366 1.00 0.00 O ATOM 206 CB ALA A 13 -6.599 -0.514 -6.789 1.00 0.00 C ATOM 0 H ALA A 13 -5.863 -1.986 -4.954 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.537 -2.101 -7.726 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.738 0.039 -7.718 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.477 -1.131 -6.600 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.464 0.187 -5.966 1.00 0.00 H new ATOM 212 N LEU A 14 -3.517 -0.056 -6.155 1.00 0.00 N ATOM 213 CA LEU A 14 -2.300 0.730 -6.296 1.00 0.00 C ATOM 214 C LEU A 14 -1.141 -0.172 -6.700 1.00 0.00 C ATOM 215 O LEU A 14 -0.219 0.247 -7.389 1.00 0.00 O ATOM 216 CB LEU A 14 -1.971 1.464 -4.997 1.00 0.00 C ATOM 217 CG LEU A 14 -1.490 2.903 -5.183 1.00 0.00 C ATOM 218 CD1 LEU A 14 -1.859 3.752 -3.979 1.00 0.00 C ATOM 219 CD2 LEU A 14 0.012 2.938 -5.421 1.00 0.00 C ATOM 0 H LEU A 14 -3.838 -0.168 -5.194 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.460 1.475 -7.075 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.858 1.470 -4.364 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.203 0.904 -4.463 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.987 3.319 -6.060 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.507 4.772 -4.132 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.942 3.756 -3.855 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.393 3.338 -3.085 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.336 3.971 -5.551 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.526 2.502 -4.565 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.252 2.367 -6.318 1.00 0.00 H new ATOM 231 N GLU A 15 -1.207 -1.419 -6.252 1.00 0.00 N ATOM 232 CA GLU A 15 -0.182 -2.411 -6.545 1.00 0.00 C ATOM 233 C GLU A 15 0.036 -2.552 -8.049 1.00 0.00 C ATOM 234 O GLU A 15 1.161 -2.721 -8.516 1.00 0.00 O ATOM 235 CB GLU A 15 -0.601 -3.756 -5.950 1.00 0.00 C ATOM 236 CG GLU A 15 0.562 -4.675 -5.641 1.00 0.00 C ATOM 237 CD GLU A 15 0.341 -5.496 -4.385 1.00 0.00 C ATOM 238 OE1 GLU A 15 0.565 -4.959 -3.279 1.00 0.00 O1- ATOM 239 OE2 GLU A 15 -0.055 -6.673 -4.508 1.00 0.00 O ATOM 0 H GLU A 15 -1.972 -1.771 -5.676 1.00 0.00 H new ATOM 0 HA GLU A 15 0.758 -2.084 -6.100 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.165 -3.578 -5.034 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.273 -4.257 -6.646 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.724 -5.346 -6.485 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.469 -4.081 -5.527 1.00 0.00 H new ATOM 246 N GLU A 16 -1.059 -2.491 -8.792 1.00 0.00 N ATOM 247 CA GLU A 16 -1.030 -2.619 -10.246 1.00 0.00 C ATOM 248 C GLU A 16 -0.307 -1.446 -10.891 1.00 0.00 C ATOM 249 O GLU A 16 0.324 -1.596 -11.934 1.00 0.00 O ATOM 250 CB GLU A 16 -2.454 -2.720 -10.797 1.00 0.00 C ATOM 251 CG GLU A 16 -3.282 -3.815 -10.146 1.00 0.00 C ATOM 252 CD GLU A 16 -4.697 -3.876 -10.686 1.00 0.00 C ATOM 253 OE1 GLU A 16 -4.898 -4.492 -11.754 1.00 0.00 O ATOM 254 OE2 GLU A 16 -5.604 -3.308 -10.041 1.00 0.00 O1- ATOM 0 H GLU A 16 -1.993 -2.352 -8.407 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.484 -3.530 -10.490 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.957 -1.763 -10.657 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.407 -2.901 -11.871 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.795 -4.777 -10.305 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.315 -3.649 -9.069 1.00 0.00 H new ATOM 261 N LYS A 17 -0.406 -0.279 -10.269 1.00 0.00 N ATOM 262 CA LYS A 17 0.244 0.915 -10.790 1.00 0.00 C ATOM 263 C LYS A 17 1.763 0.815 -10.642 1.00 0.00 C ATOM 264 O LYS A 17 2.513 1.383 -11.435 1.00 0.00 O ATOM 265 CB LYS A 17 -0.296 2.176 -10.095 1.00 0.00 C ATOM 266 CG LYS A 17 0.297 2.445 -8.718 1.00 0.00 C ATOM 267 CD LYS A 17 0.930 3.829 -8.632 1.00 0.00 C ATOM 268 CE LYS A 17 1.972 4.048 -9.720 1.00 0.00 C ATOM 269 NZ LYS A 17 1.822 5.379 -10.372 1.00 0.00 N1+ ATOM 0 H LYS A 17 -0.929 -0.134 -9.405 1.00 0.00 H new ATOM 0 HA LYS A 17 0.015 0.992 -11.853 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.103 3.038 -10.734 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.378 2.087 -9.999 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.484 2.355 -7.963 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.048 1.688 -8.492 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.153 4.589 -8.716 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.395 3.955 -7.654 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.970 3.965 -9.289 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.883 3.263 -10.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.550 5.490 -11.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.879 5.449 -10.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.932 6.129 -9.660 1.00 0.00 H new ATOM 283 N VAL A 18 2.208 0.103 -9.607 1.00 0.00 N ATOM 284 CA VAL A 18 3.638 -0.050 -9.343 1.00 0.00 C ATOM 285 C VAL A 18 4.324 -0.919 -10.396 1.00 0.00 C ATOM 286 O VAL A 18 5.385 -0.565 -10.909 1.00 0.00 O ATOM 287 CB VAL A 18 3.877 -0.671 -7.951 1.00 0.00 C ATOM 288 CG1 VAL A 18 5.356 -0.649 -7.596 1.00 0.00 C ATOM 289 CG2 VAL A 18 3.058 0.056 -6.896 1.00 0.00 C ATOM 0 H VAL A 18 1.602 -0.375 -8.940 1.00 0.00 H new ATOM 0 HA VAL A 18 4.070 0.950 -9.381 1.00 0.00 H new ATOM 0 HB VAL A 18 3.553 -1.711 -7.980 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.500 -1.092 -6.610 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.916 -1.220 -8.336 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.713 0.381 -7.587 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.239 -0.395 -5.920 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.349 1.106 -6.870 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.999 -0.021 -7.141 1.00 0.00 H new ATOM 299 N LYS A 19 3.714 -2.053 -10.718 1.00 0.00 N ATOM 300 CA LYS A 19 4.270 -2.967 -11.713 1.00 0.00 C ATOM 301 C LYS A 19 4.168 -2.383 -13.122 1.00 0.00 C ATOM 302 O LYS A 19 4.903 -2.782 -14.025 1.00 0.00 O ATOM 303 CB LYS A 19 3.554 -4.319 -11.653 1.00 0.00 C ATOM 304 CG LYS A 19 2.103 -4.265 -12.103 1.00 0.00 C ATOM 305 CD LYS A 19 1.931 -4.827 -13.505 1.00 0.00 C ATOM 306 CE LYS A 19 0.515 -5.329 -13.735 1.00 0.00 C ATOM 307 NZ LYS A 19 0.328 -5.851 -15.117 1.00 0.00 N1+ ATOM 0 H LYS A 19 2.834 -2.363 -10.306 1.00 0.00 H new ATOM 0 HA LYS A 19 5.325 -3.111 -11.481 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.092 -5.033 -12.277 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.594 -4.696 -10.631 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.484 -4.829 -11.406 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.752 -3.233 -12.078 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.168 -4.056 -14.238 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.637 -5.643 -13.660 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.288 -6.116 -13.016 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.191 -4.519 -13.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.651 -6.183 -15.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.520 -5.093 -15.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.984 -6.641 -15.281 1.00 0.00 H new ATOM 321 N ALA A 20 3.237 -1.453 -13.304 1.00 0.00 N ATOM 322 CA ALA A 20 3.013 -0.827 -14.601 1.00 0.00 C ATOM 323 C ALA A 20 4.137 0.135 -14.978 1.00 0.00 C ATOM 324 O ALA A 20 4.487 0.258 -16.152 1.00 0.00 O ATOM 325 CB ALA A 20 1.675 -0.103 -14.603 1.00 0.00 C ATOM 0 H ALA A 20 2.622 -1.115 -12.564 1.00 0.00 H new ATOM 0 HA ALA A 20 3.001 -1.618 -15.351 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.515 0.362 -15.576 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.875 -0.816 -14.406 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.676 0.665 -13.829 1.00 0.00 H new ATOM 331 N LEU A 21 4.696 0.821 -13.987 1.00 0.00 N ATOM 332 CA LEU A 21 5.773 1.773 -14.243 1.00 0.00 C ATOM 333 C LEU A 21 7.054 1.051 -14.650 1.00 0.00 C ATOM 334 O LEU A 21 7.267 -0.108 -14.294 1.00 0.00 O ATOM 335 CB LEU A 21 6.021 2.651 -13.012 1.00 0.00 C ATOM 336 CG LEU A 21 6.781 1.978 -11.866 1.00 0.00 C ATOM 337 CD1 LEU A 21 8.156 2.608 -11.693 1.00 0.00 C ATOM 338 CD2 LEU A 21 5.988 2.072 -10.570 1.00 0.00 C ATOM 0 H LEU A 21 4.425 0.738 -13.007 1.00 0.00 H new ATOM 0 HA LEU A 21 5.467 2.414 -15.070 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.577 3.535 -13.324 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.059 2.996 -12.634 1.00 0.00 H new ATOM 0 HG LEU A 21 6.912 0.925 -12.115 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.681 2.116 -10.874 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.728 2.491 -12.613 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.045 3.669 -11.468 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.544 1.588 -9.767 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.825 3.120 -10.318 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.026 1.575 -10.695 1.00 0.00 H new ATOM 350 N GLY A 22 7.899 1.744 -15.408 1.00 0.00 N ATOM 351 CA GLY A 22 9.149 1.159 -15.866 1.00 0.00 C ATOM 352 C GLY A 22 9.954 0.530 -14.745 1.00 0.00 C ATOM 353 O GLY A 22 10.498 1.231 -13.893 1.00 0.00 O ATOM 0 H GLY A 22 7.740 2.704 -15.715 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.935 0.402 -16.621 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.749 1.930 -16.349 1.00 0.00 H new ATOM 357 N GLY A 23 10.033 -0.797 -14.751 1.00 0.00 N ATOM 358 CA GLY A 23 10.781 -1.502 -13.727 1.00 0.00 C ATOM 359 C GLY A 23 12.271 -1.238 -13.811 1.00 0.00 C ATOM 360 O GLY A 23 12.741 -0.591 -14.748 1.00 0.00 O ATOM 0 H GLY A 23 9.592 -1.397 -15.448 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.417 -1.202 -12.744 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.599 -2.573 -13.821 1.00 0.00 H new ATOM 364 N GLY A 24 13.017 -1.738 -12.832 1.00 0.00 N ATOM 365 CA GLY A 24 14.455 -1.541 -12.821 1.00 0.00 C ATOM 366 C GLY A 24 15.045 -1.625 -11.426 1.00 0.00 C ATOM 367 O GLY A 24 15.779 -0.733 -11.001 1.00 0.00 O ATOM 0 H GLY A 24 12.652 -2.276 -12.046 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.926 -2.291 -13.456 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.688 -0.567 -13.252 1.00 0.00 H new ATOM 371 N GLY A 25 14.727 -2.701 -10.714 1.00 0.00 N ATOM 372 CA GLY A 25 15.241 -2.879 -9.368 1.00 0.00 C ATOM 373 C GLY A 25 14.528 -2.009 -8.351 1.00 0.00 C ATOM 374 O GLY A 25 13.902 -2.517 -7.421 1.00 0.00 O ATOM 0 H GLY A 25 14.123 -3.453 -11.045 1.00 0.00 H new ATOM 0 HA2 GLY A 25 15.140 -3.925 -9.080 1.00 0.00 H new ATOM 0 HA3 GLY A 25 16.306 -2.647 -9.356 1.00 0.00 H new ATOM 378 N ARG A 26 14.623 -0.694 -8.528 1.00 0.00 N ATOM 379 CA ARG A 26 13.984 0.252 -7.618 1.00 0.00 C ATOM 380 C ARG A 26 12.492 -0.046 -7.480 1.00 0.00 C ATOM 381 O ARG A 26 11.954 -0.057 -6.376 1.00 0.00 O ATOM 382 CB ARG A 26 14.191 1.688 -8.119 1.00 0.00 C ATOM 383 CG ARG A 26 13.144 2.678 -7.623 1.00 0.00 C ATOM 384 CD ARG A 26 13.678 4.100 -7.611 1.00 0.00 C ATOM 385 NE ARG A 26 13.979 4.562 -6.258 1.00 0.00 N ATOM 386 CZ ARG A 26 14.645 5.682 -5.987 1.00 0.00 C ATOM 387 NH1 ARG A 26 15.081 6.459 -6.971 1.00 0.00 N1+ ATOM 388 NH2 ARG A 26 14.876 6.028 -4.727 1.00 0.00 N ATOM 0 H ARG A 26 15.137 -0.259 -9.294 1.00 0.00 H new ATOM 0 HA ARG A 26 14.446 0.146 -6.636 1.00 0.00 H new ATOM 0 HB2 ARG A 26 15.177 2.032 -7.806 1.00 0.00 H new ATOM 0 HB3 ARG A 26 14.185 1.685 -9.209 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.262 2.626 -8.261 1.00 0.00 H new ATOM 0 HG3 ARG A 26 12.827 2.400 -6.618 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.580 4.153 -8.221 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.945 4.766 -8.067 1.00 0.00 H new ATOM 0 HE ARG A 26 13.660 3.992 -5.474 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.906 6.199 -7.942 1.00 0.00 H new ATOM 0 HH12 ARG A 26 15.591 7.316 -6.756 1.00 0.00 H new ATOM 0 HH21 ARG A 26 14.543 5.436 -3.966 1.00 0.00 H new ATOM 0 HH22 ARG A 26 15.386 6.886 -4.519 1.00 0.00 H new ATOM 402 N ILE A 27 11.835 -0.266 -8.610 1.00 0.00 N ATOM 403 CA ILE A 27 10.402 -0.549 -8.628 1.00 0.00 C ATOM 404 C ILE A 27 10.076 -1.896 -7.987 1.00 0.00 C ATOM 405 O ILE A 27 9.030 -2.053 -7.362 1.00 0.00 O ATOM 406 CB ILE A 27 9.835 -0.537 -10.064 1.00 0.00 C ATOM 407 CG1 ILE A 27 10.560 0.494 -10.941 1.00 0.00 C ATOM 408 CG2 ILE A 27 8.340 -0.254 -10.036 1.00 0.00 C ATOM 409 CD1 ILE A 27 10.826 1.815 -10.250 1.00 0.00 C ATOM 0 H ILE A 27 12.272 -0.254 -9.532 1.00 0.00 H new ATOM 0 HA ILE A 27 9.935 0.246 -8.047 1.00 0.00 H new ATOM 0 HB ILE A 27 10.001 -1.522 -10.501 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.509 0.071 -11.271 1.00 0.00 H new ATOM 0 HG13 ILE A 27 9.964 0.677 -11.835 1.00 0.00 H new ATOM 0 HG21 ILE A 27 7.952 -0.248 -11.054 1.00 0.00 H new ATOM 0 HG22 ILE A 27 7.834 -1.028 -9.459 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.162 0.717 -9.574 1.00 0.00 H new ATOM 0 HD11 ILE A 27 11.341 2.487 -10.936 1.00 0.00 H new ATOM 0 HD12 ILE A 27 9.880 2.263 -9.944 1.00 0.00 H new ATOM 0 HD13 ILE A 27 11.449 1.647 -9.371 1.00 0.00 H new ATOM 421 N GLU A 28 10.964 -2.869 -8.165 1.00 0.00 N ATOM 422 CA GLU A 28 10.751 -4.208 -7.619 1.00 0.00 C ATOM 423 C GLU A 28 10.724 -4.204 -6.092 1.00 0.00 C ATOM 424 O GLU A 28 9.846 -4.805 -5.478 1.00 0.00 O ATOM 425 CB GLU A 28 11.843 -5.157 -8.114 1.00 0.00 C ATOM 426 CG GLU A 28 11.776 -5.436 -9.607 1.00 0.00 C ATOM 427 CD GLU A 28 11.130 -6.770 -9.922 1.00 0.00 C ATOM 428 OE1 GLU A 28 9.883 -6.835 -9.949 1.00 0.00 O1- ATOM 429 OE2 GLU A 28 11.871 -7.752 -10.141 1.00 0.00 O ATOM 0 H GLU A 28 11.836 -2.757 -8.682 1.00 0.00 H new ATOM 0 HA GLU A 28 9.778 -4.552 -7.969 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.818 -4.732 -7.876 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.766 -6.100 -7.573 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.215 -4.640 -10.097 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.784 -5.417 -10.022 1.00 0.00 H new ATOM 436 N GLU A 29 11.696 -3.534 -5.485 1.00 0.00 N ATOM 437 CA GLU A 29 11.791 -3.462 -4.028 1.00 0.00 C ATOM 438 C GLU A 29 10.581 -2.757 -3.419 1.00 0.00 C ATOM 439 O GLU A 29 10.100 -3.135 -2.350 1.00 0.00 O ATOM 440 CB GLU A 29 13.074 -2.736 -3.619 1.00 0.00 C ATOM 441 CG GLU A 29 13.230 -1.367 -4.261 1.00 0.00 C ATOM 442 CD GLU A 29 14.323 -0.540 -3.613 1.00 0.00 C ATOM 443 OE1 GLU A 29 14.020 0.192 -2.648 1.00 0.00 O1- ATOM 444 OE2 GLU A 29 15.482 -0.624 -4.071 1.00 0.00 O ATOM 0 H GLU A 29 12.433 -3.031 -5.979 1.00 0.00 H new ATOM 0 HA GLU A 29 11.813 -4.483 -3.647 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.088 -2.623 -2.535 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.932 -3.353 -3.886 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.453 -1.490 -5.321 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.285 -0.829 -4.194 1.00 0.00 H new ATOM 451 N LEU A 30 10.113 -1.717 -4.095 1.00 0.00 N ATOM 452 CA LEU A 30 8.983 -0.928 -3.631 1.00 0.00 C ATOM 453 C LEU A 30 7.731 -1.781 -3.432 1.00 0.00 C ATOM 454 O LEU A 30 7.042 -1.659 -2.419 1.00 0.00 O ATOM 455 CB LEU A 30 8.703 0.182 -4.643 1.00 0.00 C ATOM 456 CG LEU A 30 8.462 1.569 -4.047 1.00 0.00 C ATOM 457 CD1 LEU A 30 9.771 2.172 -3.565 1.00 0.00 C ATOM 458 CD2 LEU A 30 7.801 2.476 -5.072 1.00 0.00 C ATOM 0 H LEU A 30 10.507 -1.397 -4.980 1.00 0.00 H new ATOM 0 HA LEU A 30 9.240 -0.502 -2.661 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.545 0.243 -5.332 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.829 -0.098 -5.232 1.00 0.00 H new ATOM 0 HG LEU A 30 7.793 1.470 -3.192 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.583 3.159 -3.143 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.209 1.529 -2.802 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.461 2.261 -4.404 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.635 3.460 -4.634 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.448 2.571 -5.944 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.845 2.048 -5.374 1.00 0.00 H new ATOM 470 N LYS A 31 7.433 -2.634 -4.405 1.00 0.00 N ATOM 471 CA LYS A 31 6.254 -3.492 -4.334 1.00 0.00 C ATOM 472 C LYS A 31 6.366 -4.511 -3.209 1.00 0.00 C ATOM 473 O LYS A 31 5.365 -4.863 -2.596 1.00 0.00 O ATOM 474 CB LYS A 31 5.983 -4.202 -5.660 1.00 0.00 C ATOM 475 CG LYS A 31 7.231 -4.653 -6.402 1.00 0.00 C ATOM 476 CD LYS A 31 6.882 -5.332 -7.717 1.00 0.00 C ATOM 477 CE LYS A 31 6.100 -6.617 -7.493 1.00 0.00 C ATOM 478 NZ LYS A 31 4.795 -6.605 -8.210 1.00 0.00 N1+ ATOM 0 H LYS A 31 7.990 -2.751 -5.252 1.00 0.00 H new ATOM 0 HA LYS A 31 5.409 -2.836 -4.122 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.355 -5.072 -5.470 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.414 -3.533 -6.306 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.872 -3.793 -6.594 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.799 -5.341 -5.776 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.296 -4.651 -8.334 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.797 -5.553 -8.267 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.693 -7.467 -7.832 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.927 -6.755 -6.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.293 -7.498 -8.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.219 -5.810 -7.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.961 -6.499 -9.231 1.00 0.00 H new ATOM 492 N LYS A 32 7.578 -4.991 -2.941 1.00 0.00 N ATOM 493 CA LYS A 32 7.776 -5.975 -1.880 1.00 0.00 C ATOM 494 C LYS A 32 7.243 -5.431 -0.559 1.00 0.00 C ATOM 495 O LYS A 32 6.616 -6.151 0.217 1.00 0.00 O ATOM 496 CB LYS A 32 9.259 -6.327 -1.736 1.00 0.00 C ATOM 497 CG LYS A 32 9.971 -6.524 -3.062 1.00 0.00 C ATOM 498 CD LYS A 32 11.267 -7.301 -2.890 1.00 0.00 C ATOM 499 CE LYS A 32 11.095 -8.762 -3.271 1.00 0.00 C ATOM 500 NZ LYS A 32 12.233 -9.598 -2.797 1.00 0.00 N1+ ATOM 0 H LYS A 32 8.427 -4.719 -3.436 1.00 0.00 H new ATOM 0 HA LYS A 32 7.229 -6.880 -2.145 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.759 -5.534 -1.179 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.351 -7.238 -1.145 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.316 -7.056 -3.752 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.184 -5.553 -3.509 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.046 -6.852 -3.506 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.600 -7.231 -1.854 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.165 -9.141 -2.847 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.009 -8.847 -4.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.077 -10.587 -3.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 13.118 -9.253 -3.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 12.300 -9.538 -1.761 1.00 0.00 H new ATOM 514 N LYS A 33 7.478 -4.145 -0.327 1.00 0.00 N ATOM 515 CA LYS A 33 7.005 -3.484 0.881 1.00 0.00 C ATOM 516 C LYS A 33 5.481 -3.415 0.878 1.00 0.00 C ATOM 517 O LYS A 33 4.839 -3.518 1.923 1.00 0.00 O ATOM 518 CB LYS A 33 7.594 -2.076 0.985 1.00 0.00 C ATOM 519 CG LYS A 33 7.508 -1.482 2.382 1.00 0.00 C ATOM 520 CD LYS A 33 7.096 -0.019 2.343 1.00 0.00 C ATOM 521 CE LYS A 33 8.244 0.870 1.892 1.00 0.00 C ATOM 522 NZ LYS A 33 8.957 1.484 3.047 1.00 0.00 N1+ ATOM 0 H LYS A 33 7.995 -3.538 -0.963 1.00 0.00 H new ATOM 0 HA LYS A 33 7.332 -4.063 1.745 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.639 -2.104 0.675 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.072 -1.420 0.288 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.789 -2.047 2.975 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.474 -1.576 2.878 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.251 0.104 1.666 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.760 0.292 3.332 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.947 0.283 1.301 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.861 1.657 1.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.732 2.083 2.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.292 2.065 3.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.345 0.734 3.654 1.00 0.00 H new ATOM 536 N TYR A 34 4.915 -3.229 -0.312 1.00 0.00 N ATOM 537 CA TYR A 34 3.467 -3.134 -0.472 1.00 0.00 C ATOM 538 C TYR A 34 2.760 -4.369 0.082 1.00 0.00 C ATOM 539 O TYR A 34 1.684 -4.260 0.668 1.00 0.00 O ATOM 540 CB TYR A 34 3.107 -2.933 -1.951 1.00 0.00 C ATOM 541 CG TYR A 34 2.293 -1.684 -2.201 1.00 0.00 C ATOM 542 CD1 TYR A 34 1.011 -1.557 -1.684 1.00 0.00 C ATOM 543 CD2 TYR A 34 2.808 -0.632 -2.947 1.00 0.00 C ATOM 544 CE1 TYR A 34 0.264 -0.416 -1.904 1.00 0.00 C ATOM 545 CE2 TYR A 34 2.068 0.513 -3.170 1.00 0.00 C ATOM 546 CZ TYR A 34 0.797 0.616 -2.647 1.00 0.00 C ATOM 547 OH TYR A 34 0.057 1.757 -2.865 1.00 0.00 O ATOM 0 H TYR A 34 5.440 -3.141 -1.182 1.00 0.00 H new ATOM 0 HA TYR A 34 3.125 -2.271 0.099 1.00 0.00 H new ATOM 0 HB2 TYR A 34 4.024 -2.885 -2.538 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.548 -3.800 -2.303 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.591 -2.363 -1.101 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.803 -0.710 -3.359 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.733 -0.333 -1.496 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.483 1.323 -3.751 1.00 0.00 H new ATOM 0 HH TYR A 34 0.620 2.545 -2.718 1.00 0.00 H new ATOM 557 N GLU A 35 3.362 -5.542 -0.100 1.00 0.00 N ATOM 558 CA GLU A 35 2.778 -6.787 0.391 1.00 0.00 C ATOM 559 C GLU A 35 2.565 -6.722 1.899 1.00 0.00 C ATOM 560 O GLU A 35 1.535 -7.160 2.411 1.00 0.00 O ATOM 561 CB GLU A 35 3.680 -7.972 0.042 1.00 0.00 C ATOM 562 CG GLU A 35 3.867 -8.174 -1.453 1.00 0.00 C ATOM 563 CD GLU A 35 3.072 -9.350 -1.987 1.00 0.00 C ATOM 564 OE1 GLU A 35 2.939 -10.356 -1.259 1.00 0.00 O ATOM 565 OE2 GLU A 35 2.585 -9.265 -3.134 1.00 0.00 O1- ATOM 0 H GLU A 35 4.253 -5.656 -0.583 1.00 0.00 H new ATOM 0 HA GLU A 35 1.811 -6.924 -0.092 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.656 -7.824 0.505 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.257 -8.879 0.473 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.566 -7.268 -1.979 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.925 -8.329 -1.665 1.00 0.00 H new ATOM 572 N GLU A 36 3.545 -6.164 2.602 1.00 0.00 N ATOM 573 CA GLU A 36 3.467 -6.027 4.051 1.00 0.00 C ATOM 574 C GLU A 36 2.234 -5.224 4.445 1.00 0.00 C ATOM 575 O GLU A 36 1.585 -5.510 5.449 1.00 0.00 O ATOM 576 CB GLU A 36 4.731 -5.352 4.590 1.00 0.00 C ATOM 577 CG GLU A 36 5.413 -6.137 5.700 1.00 0.00 C ATOM 578 CD GLU A 36 6.785 -6.643 5.299 1.00 0.00 C ATOM 579 OE1 GLU A 36 6.903 -7.231 4.204 1.00 0.00 O1- ATOM 580 OE2 GLU A 36 7.740 -6.452 6.080 1.00 0.00 O ATOM 0 H GLU A 36 4.404 -5.799 2.190 1.00 0.00 H new ATOM 0 HA GLU A 36 3.388 -7.023 4.488 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.435 -5.211 3.770 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.473 -4.361 4.963 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.507 -5.504 6.582 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.785 -6.983 5.980 1.00 0.00 H new ATOM 587 N LEU A 37 1.924 -4.211 3.642 1.00 0.00 N ATOM 588 CA LEU A 37 0.777 -3.347 3.889 1.00 0.00 C ATOM 589 C LEU A 37 -0.521 -4.147 3.922 1.00 0.00 C ATOM 590 O LEU A 37 -1.361 -3.955 4.801 1.00 0.00 O ATOM 591 CB LEU A 37 0.707 -2.286 2.786 1.00 0.00 C ATOM 592 CG LEU A 37 0.831 -0.834 3.245 1.00 0.00 C ATOM 593 CD1 LEU A 37 -0.530 -0.283 3.644 1.00 0.00 C ATOM 594 CD2 LEU A 37 1.821 -0.701 4.394 1.00 0.00 C ATOM 0 H LEU A 37 2.457 -3.968 2.807 1.00 0.00 H new ATOM 0 HA LEU A 37 0.900 -2.871 4.862 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.499 -2.487 2.065 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.240 -2.400 2.259 1.00 0.00 H new ATOM 0 HG LEU A 37 1.211 -0.249 2.408 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.423 0.752 3.968 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.205 -0.327 2.790 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.938 -0.878 4.461 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.887 0.344 4.698 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.483 -1.304 5.237 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.803 -1.048 4.071 1.00 0.00 H new ATOM 606 N LYS A 38 -0.676 -5.043 2.957 1.00 0.00 N ATOM 607 CA LYS A 38 -1.869 -5.878 2.865 1.00 0.00 C ATOM 608 C LYS A 38 -2.076 -6.686 4.143 1.00 0.00 C ATOM 609 O LYS A 38 -3.203 -6.858 4.603 1.00 0.00 O ATOM 610 CB LYS A 38 -1.766 -6.819 1.664 1.00 0.00 C ATOM 611 CG LYS A 38 -2.392 -6.258 0.395 1.00 0.00 C ATOM 612 CD LYS A 38 -3.453 -7.192 -0.167 1.00 0.00 C ATOM 613 CE LYS A 38 -4.829 -6.882 0.401 1.00 0.00 C ATOM 614 NZ LYS A 38 -5.301 -7.950 1.326 1.00 0.00 N1+ ATOM 0 H LYS A 38 0.012 -5.212 2.223 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.729 -5.221 2.733 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.715 -7.039 1.474 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.250 -7.764 1.911 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.838 -5.286 0.608 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.616 -6.096 -0.353 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.479 -7.103 -1.253 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.188 -8.224 0.062 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.797 -5.930 0.931 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.542 -6.768 -0.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.298 -8.167 1.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.727 -8.806 1.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.208 -7.624 2.309 1.00 0.00 H new ATOM 628 N LYS A 39 -0.980 -7.188 4.702 1.00 0.00 N ATOM 629 CA LYS A 39 -1.030 -7.991 5.920 1.00 0.00 C ATOM 630 C LYS A 39 -1.597 -7.199 7.097 1.00 0.00 C ATOM 631 O LYS A 39 -2.325 -7.746 7.924 1.00 0.00 O ATOM 632 CB LYS A 39 0.367 -8.507 6.269 1.00 0.00 C ATOM 633 CG LYS A 39 0.780 -9.731 5.467 1.00 0.00 C ATOM 634 CD LYS A 39 2.274 -9.735 5.189 1.00 0.00 C ATOM 635 CE LYS A 39 2.586 -10.343 3.831 1.00 0.00 C ATOM 636 NZ LYS A 39 3.725 -9.656 3.162 1.00 0.00 N1+ ATOM 0 H LYS A 39 -0.041 -7.052 4.329 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.695 -8.834 5.731 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.092 -7.711 6.101 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.401 -8.750 7.331 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.508 -10.634 6.013 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.233 -9.751 4.524 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.655 -8.715 5.228 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.789 -10.298 5.968 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.821 -11.400 3.952 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.703 -10.284 3.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.777 -9.958 2.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.583 -8.627 3.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.612 -9.903 3.646 1.00 0.00 H new ATOM 650 N LYS A 40 -1.251 -5.918 7.177 1.00 0.00 N ATOM 651 CA LYS A 40 -1.720 -5.061 8.266 1.00 0.00 C ATOM 652 C LYS A 40 -3.241 -4.941 8.260 1.00 0.00 C ATOM 653 O LYS A 40 -3.884 -5.029 9.306 1.00 0.00 O ATOM 654 CB LYS A 40 -1.089 -3.672 8.155 1.00 0.00 C ATOM 655 CG LYS A 40 -0.679 -3.082 9.494 1.00 0.00 C ATOM 656 CD LYS A 40 0.337 -1.965 9.322 1.00 0.00 C ATOM 657 CE LYS A 40 1.699 -2.508 8.918 1.00 0.00 C ATOM 658 NZ LYS A 40 2.806 -1.838 9.654 1.00 0.00 N1+ ATOM 0 H LYS A 40 -0.648 -5.448 6.502 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.418 -5.521 9.207 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.213 -3.731 7.509 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.796 -2.998 7.672 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.560 -2.698 10.009 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.257 -3.865 10.124 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.016 -1.264 8.565 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.428 -1.408 10.254 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.733 -3.581 9.109 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.841 -2.371 7.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.717 -2.237 9.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.790 -0.818 9.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.686 -1.990 10.676 1.00 0.00 H new ATOM 672 N ILE A 41 -3.808 -4.742 7.077 1.00 0.00 N ATOM 673 CA ILE A 41 -5.254 -4.612 6.929 1.00 0.00 C ATOM 674 C ILE A 41 -5.953 -5.875 7.414 1.00 0.00 C ATOM 675 O ILE A 41 -7.042 -5.823 7.984 1.00 0.00 O ATOM 676 CB ILE A 41 -5.650 -4.338 5.464 1.00 0.00 C ATOM 677 CG1 ILE A 41 -4.904 -3.112 4.934 1.00 0.00 C ATOM 678 CG2 ILE A 41 -7.155 -4.137 5.346 1.00 0.00 C ATOM 679 CD1 ILE A 41 -4.781 -3.084 3.426 1.00 0.00 C ATOM 0 H ILE A 41 -3.288 -4.667 6.203 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.569 -3.763 7.536 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.371 -5.203 4.862 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.421 -2.211 5.265 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.906 -3.086 5.372 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.416 -3.945 4.305 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.670 -5.034 5.689 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.458 -3.288 5.959 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.241 -2.187 3.122 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.238 -3.967 3.089 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.776 -3.078 2.980 1.00 0.00 H new ATOM 691 N GLU A 42 -5.305 -7.008 7.192 1.00 0.00 N ATOM 692 CA GLU A 42 -5.837 -8.292 7.612 1.00 0.00 C ATOM 693 C GLU A 42 -5.938 -8.345 9.132 1.00 0.00 C ATOM 694 O GLU A 42 -6.836 -8.979 9.686 1.00 0.00 O ATOM 695 CB GLU A 42 -4.946 -9.427 7.099 1.00 0.00 C ATOM 696 CG GLU A 42 -5.611 -10.289 6.038 1.00 0.00 C ATOM 697 CD GLU A 42 -5.920 -11.688 6.532 1.00 0.00 C ATOM 698 OE1 GLU A 42 -5.171 -12.193 7.396 1.00 0.00 O1- ATOM 699 OE2 GLU A 42 -6.912 -12.280 6.056 1.00 0.00 O ATOM 0 H GLU A 42 -4.403 -7.062 6.719 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.835 -8.415 7.190 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.030 -9.002 6.688 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.656 -10.058 7.939 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.535 -9.810 5.713 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.960 -10.351 5.166 1.00 0.00 H new ATOM 706 N GLU A 43 -4.998 -7.680 9.798 1.00 0.00 N ATOM 707 CA GLU A 43 -4.965 -7.654 11.258 1.00 0.00 C ATOM 708 C GLU A 43 -5.804 -6.508 11.825 1.00 0.00 C ATOM 709 O GLU A 43 -6.048 -6.449 13.030 1.00 0.00 O ATOM 710 CB GLU A 43 -3.520 -7.534 11.748 1.00 0.00 C ATOM 711 CG GLU A 43 -2.963 -8.827 12.322 1.00 0.00 C ATOM 712 CD GLU A 43 -2.462 -8.667 13.744 1.00 0.00 C ATOM 713 OE1 GLU A 43 -3.268 -8.288 14.619 1.00 0.00 O1- ATOM 714 OE2 GLU A 43 -1.262 -8.921 13.983 1.00 0.00 O ATOM 0 H GLU A 43 -4.249 -7.152 9.350 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.396 -8.590 11.615 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.889 -7.213 10.919 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.467 -6.756 12.509 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.737 -9.594 12.298 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.147 -9.178 11.691 1.00 0.00 H new ATOM 721 N LEU A 44 -6.245 -5.598 10.959 1.00 0.00 N ATOM 722 CA LEU A 44 -7.053 -4.461 11.392 1.00 0.00 C ATOM 723 C LEU A 44 -8.286 -4.929 12.163 1.00 0.00 C ATOM 724 O LEU A 44 -8.795 -6.026 11.933 1.00 0.00 O ATOM 725 CB LEU A 44 -7.477 -3.619 10.187 1.00 0.00 C ATOM 726 CG LEU A 44 -6.901 -2.203 10.150 1.00 0.00 C ATOM 727 CD1 LEU A 44 -7.088 -1.588 8.772 1.00 0.00 C ATOM 728 CD2 LEU A 44 -7.553 -1.336 11.218 1.00 0.00 C ATOM 0 H LEU A 44 -6.057 -5.626 9.957 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.444 -3.848 12.056 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.179 -4.140 9.277 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.565 -3.552 10.175 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.832 -2.258 10.358 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.672 -0.580 8.764 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.575 -2.198 8.029 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.151 -1.544 8.534 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.132 -0.331 11.178 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.627 -1.286 11.040 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.367 -1.769 12.201 1.00 0.00 H new ATOM 740 N GLY A 45 -8.758 -4.088 13.077 1.00 0.00 N ATOM 741 CA GLY A 45 -9.926 -4.431 13.868 1.00 0.00 C ATOM 742 C GLY A 45 -11.223 -4.053 13.181 1.00 0.00 C ATOM 743 O GLY A 45 -11.827 -4.870 12.486 1.00 0.00 O ATOM 0 H GLY A 45 -8.353 -3.175 13.284 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -9.923 -5.502 14.068 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -9.869 -3.926 14.832 1.00 0.00 H new ATOM 747 N GLY A 46 -11.654 -2.810 13.376 1.00 0.00 N ATOM 748 CA GLY A 46 -12.885 -2.347 12.764 1.00 0.00 C ATOM 749 C GLY A 46 -13.072 -0.850 12.900 1.00 0.00 C ATOM 750 O GLY A 46 -14.173 -0.378 13.185 1.00 0.00 O ATOM 0 H GLY A 46 -11.172 -2.116 13.947 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -12.885 -2.616 11.708 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -13.731 -2.859 13.223 1.00 0.00 H new ATOM 754 N GLY A 47 -11.995 -0.098 12.697 1.00 0.00 N ATOM 755 CA GLY A 47 -12.067 1.348 12.801 1.00 0.00 C ATOM 756 C GLY A 47 -11.003 1.920 13.718 1.00 0.00 C ATOM 757 O GLY A 47 -10.507 1.232 14.610 1.00 0.00 O ATOM 0 H GLY A 47 -11.073 -0.465 12.462 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.960 1.786 11.809 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.052 1.633 13.171 1.00 0.00 H new ATOM 761 N GLY A 48 -10.654 3.184 13.498 1.00 0.00 N ATOM 762 CA GLY A 48 -9.646 3.830 14.317 1.00 0.00 C ATOM 763 C GLY A 48 -8.253 3.697 13.735 1.00 0.00 C ATOM 764 O GLY A 48 -7.510 4.676 13.656 1.00 0.00 O ATOM 0 H GLY A 48 -11.052 3.772 12.766 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -9.892 4.886 14.424 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.662 3.396 15.317 1.00 0.00 H new ATOM 768 N GLU A 49 -7.899 2.484 13.326 1.00 0.00 N ATOM 769 CA GLU A 49 -6.585 2.226 12.748 1.00 0.00 C ATOM 770 C GLU A 49 -6.654 2.168 11.222 1.00 0.00 C ATOM 771 O GLU A 49 -5.640 2.314 10.542 1.00 0.00 O ATOM 772 CB GLU A 49 -6.014 0.915 13.294 1.00 0.00 C ATOM 773 CG GLU A 49 -4.644 0.566 12.734 1.00 0.00 C ATOM 774 CD GLU A 49 -3.671 0.117 13.806 1.00 0.00 C ATOM 775 OE1 GLU A 49 -3.622 0.765 14.872 1.00 0.00 O1- ATOM 776 OE2 GLU A 49 -2.958 -0.883 13.579 1.00 0.00 O ATOM 0 H GLU A 49 -8.503 1.664 13.384 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.928 3.049 13.029 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.947 0.982 14.380 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.707 0.105 13.067 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.750 -0.225 11.991 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.235 1.435 12.218 1.00 0.00 H new ATOM 783 N VAL A 50 -7.856 1.952 10.691 1.00 0.00 N ATOM 784 CA VAL A 50 -8.049 1.875 9.246 1.00 0.00 C ATOM 785 C VAL A 50 -7.495 3.113 8.548 1.00 0.00 C ATOM 786 O VAL A 50 -6.937 3.023 7.456 1.00 0.00 O ATOM 787 CB VAL A 50 -9.538 1.718 8.885 1.00 0.00 C ATOM 788 CG1 VAL A 50 -10.029 0.321 9.227 1.00 0.00 C ATOM 789 CG2 VAL A 50 -10.375 2.772 9.593 1.00 0.00 C ATOM 0 H VAL A 50 -8.708 1.828 11.238 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.505 0.995 8.902 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.646 1.862 7.810 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.083 0.231 8.964 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.452 -0.415 8.667 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.905 0.143 10.295 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.424 2.644 9.325 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.260 2.664 10.672 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.042 3.765 9.291 1.00 0.00 H new ATOM 799 N LYS A 51 -7.652 4.267 9.188 1.00 0.00 N ATOM 800 CA LYS A 51 -7.166 5.523 8.630 1.00 0.00 C ATOM 801 C LYS A 51 -5.641 5.562 8.626 1.00 0.00 C ATOM 802 O LYS A 51 -5.026 6.136 7.726 1.00 0.00 O ATOM 803 CB LYS A 51 -7.717 6.707 9.427 1.00 0.00 C ATOM 804 CG LYS A 51 -9.081 7.180 8.951 1.00 0.00 C ATOM 805 CD LYS A 51 -10.195 6.292 9.481 1.00 0.00 C ATOM 806 CE LYS A 51 -11.407 7.108 9.903 1.00 0.00 C ATOM 807 NZ LYS A 51 -12.687 6.434 9.544 1.00 0.00 N1+ ATOM 0 H LYS A 51 -8.112 4.358 10.094 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.516 5.594 7.600 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.786 6.426 10.478 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.012 7.536 9.364 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.246 8.207 9.278 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.106 7.185 7.861 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.487 5.576 8.713 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.829 5.716 10.331 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.375 7.275 10.980 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.368 8.088 9.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.487 7.024 9.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.731 6.298 8.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.737 5.510 10.018 1.00 0.00 H new ATOM 821 N LYS A 52 -5.036 4.948 9.638 1.00 0.00 N ATOM 822 CA LYS A 52 -3.582 4.912 9.758 1.00 0.00 C ATOM 823 C LYS A 52 -2.959 4.100 8.626 1.00 0.00 C ATOM 824 O LYS A 52 -1.862 4.406 8.163 1.00 0.00 O ATOM 825 CB LYS A 52 -3.178 4.320 11.110 1.00 0.00 C ATOM 826 CG LYS A 52 -2.876 5.370 12.168 1.00 0.00 C ATOM 827 CD LYS A 52 -1.744 4.932 13.083 1.00 0.00 C ATOM 828 CE LYS A 52 -0.404 4.958 12.364 1.00 0.00 C ATOM 829 NZ LYS A 52 0.432 3.774 12.705 1.00 0.00 N1+ ATOM 0 H LYS A 52 -5.531 4.467 10.389 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.211 5.935 9.690 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.980 3.675 11.469 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.299 3.690 10.973 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.610 6.310 11.684 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.771 5.559 12.760 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.704 5.587 13.953 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.941 3.925 13.451 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.570 4.987 11.287 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.132 5.869 12.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.337 3.829 12.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.612 3.760 13.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.068 2.905 12.430 1.00 0.00 H new ATOM 843 N VAL A 53 -3.665 3.062 8.191 1.00 0.00 N ATOM 844 CA VAL A 53 -3.185 2.199 7.117 1.00 0.00 C ATOM 845 C VAL A 53 -3.197 2.921 5.772 1.00 0.00 C ATOM 846 O VAL A 53 -2.300 2.742 4.952 1.00 0.00 O ATOM 847 CB VAL A 53 -4.031 0.915 7.012 1.00 0.00 C ATOM 848 CG1 VAL A 53 -3.491 -0.002 5.923 1.00 0.00 C ATOM 849 CG2 VAL A 53 -4.072 0.196 8.352 1.00 0.00 C ATOM 0 H VAL A 53 -4.575 2.797 8.567 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.158 1.931 7.364 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.049 1.196 6.741 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.104 -0.901 5.868 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.519 0.516 4.964 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.463 -0.278 6.156 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.673 -0.709 8.261 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.059 -0.070 8.653 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.513 0.851 9.103 1.00 0.00 H new ATOM 859 N GLU A 54 -4.226 3.727 5.543 1.00 0.00 N ATOM 860 CA GLU A 54 -4.351 4.463 4.290 1.00 0.00 C ATOM 861 C GLU A 54 -3.220 5.477 4.128 1.00 0.00 C ATOM 862 O GLU A 54 -2.784 5.762 3.014 1.00 0.00 O ATOM 863 CB GLU A 54 -5.702 5.178 4.230 1.00 0.00 C ATOM 864 CG GLU A 54 -6.856 4.266 3.843 1.00 0.00 C ATOM 865 CD GLU A 54 -8.102 5.036 3.455 1.00 0.00 C ATOM 866 OE1 GLU A 54 -8.652 5.751 4.320 1.00 0.00 O1- ATOM 867 OE2 GLU A 54 -8.529 4.925 2.287 1.00 0.00 O ATOM 0 H GLU A 54 -4.984 3.888 6.206 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.286 3.745 3.472 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.912 5.623 5.203 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.639 5.996 3.512 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.550 3.633 3.010 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.087 3.605 4.678 1.00 0.00 H new ATOM 874 N GLU A 55 -2.762 6.032 5.245 1.00 0.00 N ATOM 875 CA GLU A 55 -1.693 7.028 5.228 1.00 0.00 C ATOM 876 C GLU A 55 -0.339 6.420 4.853 1.00 0.00 C ATOM 877 O GLU A 55 0.419 7.008 4.082 1.00 0.00 O ATOM 878 CB GLU A 55 -1.591 7.713 6.592 1.00 0.00 C ATOM 879 CG GLU A 55 -0.826 9.026 6.558 1.00 0.00 C ATOM 880 CD GLU A 55 -0.012 9.259 7.815 1.00 0.00 C ATOM 881 OE1 GLU A 55 0.712 8.332 8.234 1.00 0.00 O ATOM 882 OE2 GLU A 55 -0.097 10.370 8.379 1.00 0.00 O1- ATOM 0 H GLU A 55 -3.114 5.809 6.176 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.948 7.761 4.463 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.596 7.897 6.973 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.103 7.036 7.294 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.162 9.033 5.693 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.529 9.849 6.427 1.00 0.00 H new ATOM 889 N GLU A 56 -0.029 5.256 5.418 1.00 0.00 N ATOM 890 CA GLU A 56 1.247 4.593 5.156 1.00 0.00 C ATOM 891 C GLU A 56 1.424 4.262 3.675 1.00 0.00 C ATOM 892 O GLU A 56 2.503 4.461 3.116 1.00 0.00 O ATOM 893 CB GLU A 56 1.377 3.322 6.002 1.00 0.00 C ATOM 894 CG GLU A 56 0.201 2.370 5.871 1.00 0.00 C ATOM 895 CD GLU A 56 0.476 1.017 6.496 1.00 0.00 C ATOM 896 OE1 GLU A 56 1.660 0.705 6.742 1.00 0.00 O ATOM 897 OE2 GLU A 56 -0.494 0.268 6.740 1.00 0.00 O1- ATOM 0 H GLU A 56 -0.642 4.753 6.059 1.00 0.00 H new ATOM 0 HA GLU A 56 2.037 5.290 5.436 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.289 2.798 5.715 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.488 3.604 7.049 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.675 2.813 6.344 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.039 2.237 4.816 1.00 0.00 H new ATOM 904 N VAL A 57 0.371 3.759 3.040 1.00 0.00 N ATOM 905 CA VAL A 57 0.435 3.409 1.625 1.00 0.00 C ATOM 906 C VAL A 57 0.641 4.654 0.765 1.00 0.00 C ATOM 907 O VAL A 57 1.337 4.612 -0.248 1.00 0.00 O ATOM 908 CB VAL A 57 -0.825 2.643 1.159 1.00 0.00 C ATOM 909 CG1 VAL A 57 -1.994 3.586 0.913 1.00 0.00 C ATOM 910 CG2 VAL A 57 -0.514 1.831 -0.090 1.00 0.00 C ATOM 0 H VAL A 57 -0.533 3.585 3.480 1.00 0.00 H new ATOM 0 HA VAL A 57 1.292 2.746 1.500 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.119 1.962 1.957 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.862 3.013 0.587 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.235 4.115 1.835 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.724 4.306 0.141 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.409 1.296 -0.408 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.188 2.500 -0.887 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.278 1.115 0.129 1.00 0.00 H new ATOM 920 N LYS A 58 0.035 5.762 1.183 1.00 0.00 N ATOM 921 CA LYS A 58 0.154 7.023 0.459 1.00 0.00 C ATOM 922 C LYS A 58 1.621 7.399 0.269 1.00 0.00 C ATOM 923 O LYS A 58 1.996 7.995 -0.736 1.00 0.00 O ATOM 924 CB LYS A 58 -0.581 8.137 1.208 1.00 0.00 C ATOM 925 CG LYS A 58 -1.970 8.423 0.660 1.00 0.00 C ATOM 926 CD LYS A 58 -1.907 9.222 -0.632 1.00 0.00 C ATOM 927 CE LYS A 58 -2.959 8.757 -1.626 1.00 0.00 C ATOM 928 NZ LYS A 58 -4.329 9.180 -1.225 1.00 0.00 N1+ ATOM 0 H LYS A 58 -0.544 5.811 2.021 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.301 6.898 -0.523 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.663 7.863 2.260 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.014 9.049 1.161 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.493 7.483 0.482 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.548 8.974 1.402 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.053 10.280 -0.414 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.916 9.122 -1.075 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.729 9.160 -2.612 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.924 7.671 -1.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.016 8.843 -1.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.559 8.775 -0.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.370 10.218 -1.170 1.00 0.00 H new ATOM 942 N LYS A 59 2.444 7.047 1.249 1.00 0.00 N ATOM 943 CA LYS A 59 3.871 7.338 1.195 1.00 0.00 C ATOM 944 C LYS A 59 4.561 6.515 0.107 1.00 0.00 C ATOM 945 O LYS A 59 5.479 6.992 -0.558 1.00 0.00 O ATOM 946 CB LYS A 59 4.521 7.056 2.551 1.00 0.00 C ATOM 947 CG LYS A 59 3.728 7.598 3.730 1.00 0.00 C ATOM 948 CD LYS A 59 4.526 7.520 5.022 1.00 0.00 C ATOM 949 CE LYS A 59 5.246 8.827 5.311 1.00 0.00 C ATOM 950 NZ LYS A 59 6.674 8.780 4.889 1.00 0.00 N1+ ATOM 0 H LYS A 59 2.146 6.558 2.093 1.00 0.00 H new ATOM 0 HA LYS A 59 3.989 8.394 0.953 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.642 5.979 2.670 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.520 7.493 2.564 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.448 8.633 3.536 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.803 7.032 3.838 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.858 7.280 5.850 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.253 6.710 4.954 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.741 9.642 4.793 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.190 9.044 6.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.167 9.626 5.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.125 7.929 5.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.728 8.751 3.851 1.00 0.00 H new ATOM 964 N LEU A 60 4.125 5.266 -0.048 1.00 0.00 N ATOM 965 CA LEU A 60 4.708 4.355 -1.034 1.00 0.00 C ATOM 966 C LEU A 60 4.603 4.900 -2.459 1.00 0.00 C ATOM 967 O LEU A 60 5.569 4.847 -3.220 1.00 0.00 O ATOM 968 CB LEU A 60 4.012 2.994 -0.950 1.00 0.00 C ATOM 969 CG LEU A 60 4.854 1.797 -1.394 1.00 0.00 C ATOM 970 CD1 LEU A 60 5.385 2.011 -2.802 1.00 0.00 C ATOM 971 CD2 LEU A 60 5.998 1.558 -0.421 1.00 0.00 C ATOM 0 H LEU A 60 3.366 4.859 0.499 1.00 0.00 H new ATOM 0 HA LEU A 60 5.768 4.252 -0.800 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.694 2.831 0.080 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.110 3.028 -1.561 1.00 0.00 H new ATOM 0 HG LEU A 60 4.218 0.912 -1.398 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.982 1.149 -3.101 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.549 2.131 -3.492 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.005 2.907 -2.825 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.586 0.702 -0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.634 2.442 -0.383 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.595 1.358 0.572 1.00 0.00 H new ATOM 983 N GLU A 61 3.434 5.416 -2.819 1.00 0.00 N ATOM 984 CA GLU A 61 3.225 5.958 -4.160 1.00 0.00 C ATOM 985 C GLU A 61 4.025 7.242 -4.362 1.00 0.00 C ATOM 986 O GLU A 61 4.495 7.525 -5.464 1.00 0.00 O ATOM 987 CB GLU A 61 1.738 6.213 -4.423 1.00 0.00 C ATOM 988 CG GLU A 61 1.054 7.036 -3.346 1.00 0.00 C ATOM 989 CD GLU A 61 0.917 8.497 -3.726 1.00 0.00 C ATOM 990 OE1 GLU A 61 1.914 9.239 -3.602 1.00 0.00 O1- ATOM 991 OE2 GLU A 61 -0.189 8.900 -4.145 1.00 0.00 O ATOM 0 H GLU A 61 2.620 5.471 -2.207 1.00 0.00 H new ATOM 0 HA GLU A 61 3.579 5.216 -4.875 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.631 6.724 -5.380 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.226 5.255 -4.514 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.065 6.621 -3.150 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.622 6.957 -2.419 1.00 0.00 H new ATOM 998 N GLU A 62 4.173 8.016 -3.292 1.00 0.00 N ATOM 999 CA GLU A 62 4.913 9.273 -3.346 1.00 0.00 C ATOM 1000 C GLU A 62 6.319 9.054 -3.894 1.00 0.00 C ATOM 1001 O GLU A 62 6.799 9.822 -4.728 1.00 0.00 O ATOM 1002 CB GLU A 62 4.988 9.904 -1.954 1.00 0.00 C ATOM 1003 CG GLU A 62 3.879 10.906 -1.679 1.00 0.00 C ATOM 1004 CD GLU A 62 4.188 12.284 -2.234 1.00 0.00 C ATOM 1005 OE1 GLU A 62 4.343 12.406 -3.466 1.00 0.00 O1- ATOM 1006 OE2 GLU A 62 4.277 13.239 -1.434 1.00 0.00 O ATOM 0 H GLU A 62 3.789 7.794 -2.373 1.00 0.00 H new ATOM 0 HA GLU A 62 4.383 9.949 -4.017 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.947 9.114 -1.204 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.951 10.401 -1.841 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.949 10.542 -2.116 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.719 10.979 -0.603 1.00 0.00 H new ATOM 1013 N GLU A 63 6.972 7.996 -3.424 1.00 0.00 N ATOM 1014 CA GLU A 63 8.318 7.670 -3.875 1.00 0.00 C ATOM 1015 C GLU A 63 8.310 7.337 -5.359 1.00 0.00 C ATOM 1016 O GLU A 63 9.270 7.614 -6.077 1.00 0.00 O ATOM 1017 CB GLU A 63 8.881 6.491 -3.077 1.00 0.00 C ATOM 1018 CG GLU A 63 8.707 6.632 -1.574 1.00 0.00 C ATOM 1019 CD GLU A 63 9.468 7.814 -1.006 1.00 0.00 C ATOM 1020 OE1 GLU A 63 9.312 8.932 -1.541 1.00 0.00 O1- ATOM 1021 OE2 GLU A 63 10.219 7.622 -0.027 1.00 0.00 O ATOM 0 H GLU A 63 6.591 7.351 -2.732 1.00 0.00 H new ATOM 0 HA GLU A 63 8.956 8.539 -3.711 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.392 5.574 -3.406 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.942 6.385 -3.303 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.647 6.743 -1.344 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.046 5.718 -1.086 1.00 0.00 H new ATOM 1028 N ILE A 64 7.211 6.742 -5.812 1.00 0.00 N ATOM 1029 CA ILE A 64 7.066 6.371 -7.215 1.00 0.00 C ATOM 1030 C ILE A 64 7.141 7.601 -8.118 1.00 0.00 C ATOM 1031 O ILE A 64 7.624 7.526 -9.248 1.00 0.00 O ATOM 1032 CB ILE A 64 5.733 5.638 -7.474 1.00 0.00 C ATOM 1033 CG1 ILE A 64 5.583 4.453 -6.519 1.00 0.00 C ATOM 1034 CG2 ILE A 64 5.655 5.170 -8.921 1.00 0.00 C ATOM 1035 CD1 ILE A 64 4.287 3.692 -6.701 1.00 0.00 C ATOM 0 H ILE A 64 6.408 6.507 -5.228 1.00 0.00 H new ATOM 0 HA ILE A 64 7.890 5.697 -7.449 1.00 0.00 H new ATOM 0 HB ILE A 64 4.914 6.334 -7.293 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.420 3.770 -6.665 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.642 4.814 -5.492 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.709 4.655 -9.086 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.721 6.031 -9.586 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.480 4.488 -9.128 1.00 0.00 H new ATOM 0 HD11 ILE A 64 4.248 2.865 -5.992 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.445 4.361 -6.526 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.234 3.301 -7.717 1.00 0.00 H new ATOM 1047 N LYS A 65 6.656 8.731 -7.614 1.00 0.00 N ATOM 1048 CA LYS A 65 6.666 9.974 -8.378 1.00 0.00 C ATOM 1049 C LYS A 65 8.091 10.477 -8.578 1.00 0.00 C ATOM 1050 O LYS A 65 8.408 11.086 -9.600 1.00 0.00 O ATOM 1051 CB LYS A 65 5.831 11.041 -7.666 1.00 0.00 C ATOM 1052 CG LYS A 65 4.335 10.777 -7.720 1.00 0.00 C ATOM 1053 CD LYS A 65 3.654 11.155 -6.414 1.00 0.00 C ATOM 1054 CE LYS A 65 2.274 11.745 -6.654 1.00 0.00 C ATOM 1055 NZ LYS A 65 2.267 13.225 -6.496 1.00 0.00 N1+ ATOM 0 H LYS A 65 6.252 8.812 -6.681 1.00 0.00 H new ATOM 0 HA LYS A 65 6.230 9.774 -9.357 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.144 11.100 -6.624 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.037 12.012 -8.116 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.894 11.345 -8.539 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.158 9.722 -7.932 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.568 10.273 -5.779 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.270 11.876 -5.877 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.938 11.486 -7.658 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.564 11.302 -5.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.308 13.588 -6.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.563 13.472 -5.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.926 13.650 -7.179 1.00 0.00 H new ATOM 1069 N LYS A 66 8.948 10.218 -7.595 1.00 0.00 N ATOM 1070 CA LYS A 66 10.340 10.643 -7.663 1.00 0.00 C ATOM 1071 C LYS A 66 11.134 9.772 -8.633 1.00 0.00 C ATOM 1072 O LYS A 66 12.165 10.193 -9.158 1.00 0.00 O ATOM 1073 CB LYS A 66 10.979 10.589 -6.274 1.00 0.00 C ATOM 1074 CG LYS A 66 10.413 11.612 -5.302 1.00 0.00 C ATOM 1075 CD LYS A 66 11.351 12.797 -5.131 1.00 0.00 C ATOM 1076 CE LYS A 66 12.207 12.657 -3.883 1.00 0.00 C ATOM 1077 NZ LYS A 66 12.407 13.962 -3.196 1.00 0.00 N1+ ATOM 0 H LYS A 66 8.702 9.716 -6.742 1.00 0.00 H new ATOM 0 HA LYS A 66 10.360 11.670 -8.028 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.841 9.591 -5.859 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.053 10.748 -6.371 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.446 11.962 -5.662 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.241 11.140 -4.335 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.994 12.882 -6.007 1.00 0.00 H new ATOM 0 HD3 LYS A 66 10.769 13.717 -5.073 1.00 0.00 H new ATOM 0 HE2 LYS A 66 11.735 11.954 -3.196 1.00 0.00 H new ATOM 0 HE3 LYS A 66 13.176 12.237 -4.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 12.996 13.822 -2.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 12.881 14.625 -3.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 11.484 14.351 -2.915 1.00 0.00 H new ATOM 1091 N LEU A 67 10.649 8.556 -8.867 1.00 0.00 N ATOM 1092 CA LEU A 67 11.317 7.630 -9.772 1.00 0.00 C ATOM 1093 C LEU A 67 10.675 7.658 -11.155 1.00 0.00 C ATOM 1094 O LEU A 67 9.821 8.537 -11.393 1.00 0.00 O ATOM 1095 CB LEU A 67 11.282 6.209 -9.199 1.00 0.00 C ATOM 1096 CG LEU A 67 9.886 5.627 -8.971 1.00 0.00 C ATOM 1097 CD1 LEU A 67 9.224 5.268 -10.291 1.00 0.00 C ATOM 1098 CD2 LEU A 67 9.960 4.406 -8.066 1.00 0.00 C ATOM 1099 OXT LEU A 67 11.033 6.800 -11.990 1.00 0.00 O ATOM 0 H LEU A 67 9.797 8.190 -8.442 1.00 0.00 H new ATOM 0 HA LEU A 67 12.356 7.945 -9.873 1.00 0.00 H new ATOM 0 HB2 LEU A 67 11.826 5.549 -9.875 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.818 6.205 -8.250 1.00 0.00 H new ATOM 0 HG LEU A 67 9.278 6.388 -8.482 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.233 4.856 -10.101 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.133 6.162 -10.908 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.830 4.528 -10.813 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.958 4.004 -7.914 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.589 3.646 -8.530 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.386 4.691 -7.104 1.00 0.00 H new TER 1111 LEU A 67