USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 839 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 85 THR OG1 : rot 180:sc= 0.473 USER MOD Set 1.2: A 89 GLN : amide:sc= 0.305 K(o=0.78,f=-0.68) USER MOD Set 2.1: A 47 GLN : amide:sc= 0.452 K(o=1.4,f=-6.4!) USER MOD Set 2.2: A 50 LYS NZ :NH3+ 164:sc= 0.952 (180deg=0) USER MOD Set 3.1: A 11 SER OG : rot 34:sc= 0.192 USER MOD Set 3.2: A 35 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00888) USER MOD Single : A 4 LYS NZ :NH3+ -139:sc= -0.151 (180deg=-0.549) USER MOD Single : A 10 SER OG : rot 180:sc= -0.0362 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 86:sc= 0.13 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 145:sc= 1.53 (180deg=0.22) USER MOD Single : A 31 TYR OH : rot 6:sc= 0.491 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 132:sc= 1.02 (180deg=0.348) USER MOD Single : A 45 LYS NZ :NH3+ -144:sc= 0.66 (180deg=0.0426) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN :FLIP amide:sc= -1.27 F(o=-3.4!,f=-1.3) USER MOD Single : A 58 LYS NZ :NH3+ -160:sc= 0.564 (180deg=0.105) USER MOD Single : A 60 LYS NZ :NH3+ -169:sc= -0.0214 (180deg=-0.179) USER MOD Single : A 67 LYS NZ :NH3+ -138:sc= 0.0634 (180deg=-0.38) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -156:sc= 1.3 (180deg=0.172) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 152:sc= 0.878 (180deg=0.439) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0.353 X(o=0.35,f=-0.031) USER MOD Single : A 98 LYS NZ :NH3+ -154:sc= 0.58 (180deg=-0.264!) USER MOD ----------------------------------------------------------------- ATOM 38 N LYS A 4 0.546 9.182 -9.905 1.00 13.35 N ATOM 39 CA LYS A 4 1.453 8.897 -8.790 1.00 71.23 C ATOM 40 C LYS A 4 0.759 7.922 -7.850 1.00 72.42 C ATOM 41 O LYS A 4 -0.423 8.085 -7.547 1.00 54.20 O ATOM 42 CB LYS A 4 1.876 10.190 -8.043 1.00 34.55 C ATOM 43 CG LYS A 4 2.862 9.963 -6.869 1.00 24.22 C ATOM 44 CD LYS A 4 3.524 11.274 -6.397 1.00 30.51 C ATOM 45 CE LYS A 4 2.516 12.315 -5.887 1.00 23.43 C ATOM 46 NZ LYS A 4 1.814 11.873 -4.656 1.00 42.15 N ATOM 0 HA LYS A 4 2.371 8.454 -9.177 1.00 71.23 H new ATOM 0 HB2 LYS A 4 2.334 10.874 -8.758 1.00 34.55 H new ATOM 0 HB3 LYS A 4 0.982 10.682 -7.660 1.00 34.55 H new ATOM 0 HG2 LYS A 4 2.330 9.506 -6.034 1.00 24.22 H new ATOM 0 HG3 LYS A 4 3.635 9.259 -7.178 1.00 24.22 H new ATOM 0 HD2 LYS A 4 4.235 11.048 -5.603 1.00 30.51 H new ATOM 0 HD3 LYS A 4 4.093 11.703 -7.222 1.00 30.51 H new ATOM 0 HE2 LYS A 4 3.036 13.252 -5.688 1.00 23.43 H new ATOM 0 HE3 LYS A 4 1.782 12.517 -6.667 1.00 23.43 H new ATOM 0 HZ1 LYS A 4 0.809 12.134 -4.716 1.00 42.15 H new ATOM 0 HZ2 LYS A 4 1.898 10.841 -4.560 1.00 42.15 H new ATOM 0 HZ3 LYS A 4 2.242 12.334 -3.828 1.00 42.15 H new ATOM 60 N ILE A 5 1.489 6.897 -7.407 1.00 14.40 N ATOM 61 CA ILE A 5 0.936 5.837 -6.558 1.00 62.24 C ATOM 62 C ILE A 5 1.667 5.795 -5.213 1.00 52.12 C ATOM 63 O ILE A 5 2.853 6.142 -5.106 1.00 2.54 O ATOM 64 CB ILE A 5 1.016 4.434 -7.265 1.00 34.10 C ATOM 65 CG1 ILE A 5 2.499 4.051 -7.563 1.00 45.33 C ATOM 66 CG2 ILE A 5 0.153 4.419 -8.557 1.00 75.42 C ATOM 67 CD1 ILE A 5 2.688 2.675 -8.155 1.00 43.21 C ATOM 0 H ILE A 5 2.478 6.777 -7.625 1.00 14.40 H new ATOM 0 HA ILE A 5 -0.116 6.065 -6.384 1.00 62.24 H new ATOM 0 HB ILE A 5 0.610 3.682 -6.588 1.00 34.10 H new ATOM 0 HG12 ILE A 5 2.920 4.787 -8.248 1.00 45.33 H new ATOM 0 HG13 ILE A 5 3.070 4.115 -6.637 1.00 45.33 H new ATOM 0 HG21 ILE A 5 0.223 3.439 -9.030 1.00 75.42 H new ATOM 0 HG22 ILE A 5 -0.887 4.626 -8.303 1.00 75.42 H new ATOM 0 HG23 ILE A 5 0.516 5.181 -9.246 1.00 75.42 H new ATOM 0 HD11 ILE A 5 3.749 2.496 -8.329 1.00 43.21 H new ATOM 0 HD12 ILE A 5 2.302 1.926 -7.464 1.00 43.21 H new ATOM 0 HD13 ILE A 5 2.150 2.609 -9.100 1.00 43.21 H new ATOM 79 N ILE A 6 0.929 5.390 -4.184 1.00 31.15 N ATOM 80 CA ILE A 6 1.464 5.191 -2.839 1.00 33.11 C ATOM 81 C ILE A 6 1.246 3.726 -2.448 1.00 23.05 C ATOM 82 O ILE A 6 0.106 3.281 -2.295 1.00 51.10 O ATOM 83 CB ILE A 6 0.781 6.152 -1.803 1.00 25.55 C ATOM 84 CG1 ILE A 6 1.013 7.662 -2.181 1.00 62.43 C ATOM 85 CG2 ILE A 6 1.256 5.847 -0.362 1.00 32.01 C ATOM 86 CD1 ILE A 6 2.457 8.141 -2.183 1.00 61.22 C ATOM 0 H ILE A 6 -0.068 5.188 -4.260 1.00 31.15 H new ATOM 0 HA ILE A 6 2.528 5.425 -2.833 1.00 33.11 H new ATOM 0 HB ILE A 6 -0.293 5.971 -1.840 1.00 25.55 H new ATOM 0 HG12 ILE A 6 0.594 7.835 -3.172 1.00 62.43 H new ATOM 0 HG13 ILE A 6 0.448 8.280 -1.483 1.00 62.43 H new ATOM 0 HG21 ILE A 6 0.767 6.528 0.334 1.00 32.01 H new ATOM 0 HG22 ILE A 6 1.000 4.819 -0.105 1.00 32.01 H new ATOM 0 HG23 ILE A 6 2.336 5.979 -0.299 1.00 32.01 H new ATOM 0 HD11 ILE A 6 2.490 9.195 -2.458 1.00 61.22 H new ATOM 0 HD12 ILE A 6 2.885 8.012 -1.189 1.00 61.22 H new ATOM 0 HD13 ILE A 6 3.032 7.560 -2.904 1.00 61.22 H new ATOM 98 N VAL A 7 2.350 2.987 -2.344 1.00 0.23 N ATOM 99 CA VAL A 7 2.355 1.587 -1.930 1.00 51.23 C ATOM 100 C VAL A 7 2.441 1.508 -0.399 1.00 0.10 C ATOM 101 O VAL A 7 3.413 1.963 0.189 1.00 52.14 O ATOM 102 CB VAL A 7 3.554 0.814 -2.593 1.00 50.24 C ATOM 103 CG1 VAL A 7 3.657 -0.620 -2.040 1.00 24.53 C ATOM 104 CG2 VAL A 7 3.429 0.820 -4.143 1.00 34.42 C ATOM 0 H VAL A 7 3.280 3.352 -2.549 1.00 0.23 H new ATOM 0 HA VAL A 7 1.430 1.115 -2.261 1.00 51.23 H new ATOM 0 HB VAL A 7 4.477 1.333 -2.336 1.00 50.24 H new ATOM 0 HG11 VAL A 7 4.493 -1.134 -2.514 1.00 24.53 H new ATOM 0 HG12 VAL A 7 3.817 -0.584 -0.962 1.00 24.53 H new ATOM 0 HG13 VAL A 7 2.733 -1.159 -2.252 1.00 24.53 H new ATOM 0 HG21 VAL A 7 4.270 0.279 -4.578 1.00 34.42 H new ATOM 0 HG22 VAL A 7 2.497 0.336 -4.435 1.00 34.42 H new ATOM 0 HG23 VAL A 7 3.433 1.848 -4.504 1.00 34.42 H new ATOM 114 N ILE A 8 1.421 0.923 0.231 1.00 33.32 N ATOM 115 CA ILE A 8 1.333 0.815 1.688 1.00 35.53 C ATOM 116 C ILE A 8 1.479 -0.650 2.098 1.00 73.23 C ATOM 117 O ILE A 8 0.737 -1.512 1.640 1.00 60.54 O ATOM 118 CB ILE A 8 -0.022 1.392 2.225 1.00 14.54 C ATOM 119 CG1 ILE A 8 -0.205 2.858 1.728 1.00 25.23 C ATOM 120 CG2 ILE A 8 -0.095 1.307 3.773 1.00 61.24 C ATOM 121 CD1 ILE A 8 -1.497 3.511 2.145 1.00 44.51 C ATOM 0 H ILE A 8 0.628 0.508 -0.258 1.00 33.32 H new ATOM 0 HA ILE A 8 2.140 1.403 2.126 1.00 35.53 H new ATOM 0 HB ILE A 8 -0.840 0.787 1.833 1.00 14.54 H new ATOM 0 HG12 ILE A 8 0.625 3.459 2.099 1.00 25.23 H new ATOM 0 HG13 ILE A 8 -0.144 2.868 0.640 1.00 25.23 H new ATOM 0 HG21 ILE A 8 -1.046 1.715 4.115 1.00 61.24 H new ATOM 0 HG22 ILE A 8 -0.013 0.266 4.084 1.00 61.24 H new ATOM 0 HG23 ILE A 8 0.723 1.881 4.208 1.00 61.24 H new ATOM 0 HD11 ILE A 8 -1.534 4.527 1.753 1.00 44.51 H new ATOM 0 HD12 ILE A 8 -2.337 2.939 1.751 1.00 44.51 H new ATOM 0 HD13 ILE A 8 -1.556 3.539 3.233 1.00 44.51 H new ATOM 133 N ILE A 9 2.411 -0.885 3.003 1.00 1.25 N ATOM 134 CA ILE A 9 2.764 -2.202 3.498 1.00 65.11 C ATOM 135 C ILE A 9 1.989 -2.377 4.812 1.00 23.44 C ATOM 136 O ILE A 9 2.420 -1.911 5.878 1.00 3.00 O ATOM 137 CB ILE A 9 4.325 -2.358 3.718 1.00 1.13 C ATOM 138 CG1 ILE A 9 5.133 -2.316 2.364 1.00 41.02 C ATOM 139 CG2 ILE A 9 4.651 -3.653 4.507 1.00 10.24 C ATOM 140 CD1 ILE A 9 5.198 -0.976 1.640 1.00 34.12 C ATOM 0 H ILE A 9 2.961 -0.139 3.428 1.00 1.25 H new ATOM 0 HA ILE A 9 2.501 -2.973 2.774 1.00 65.11 H new ATOM 0 HB ILE A 9 4.643 -1.499 4.309 1.00 1.13 H new ATOM 0 HG12 ILE A 9 6.153 -2.641 2.568 1.00 41.02 H new ATOM 0 HG13 ILE A 9 4.695 -3.047 1.685 1.00 41.02 H new ATOM 0 HG21 ILE A 9 5.729 -3.734 4.643 1.00 10.24 H new ATOM 0 HG22 ILE A 9 4.164 -3.618 5.481 1.00 10.24 H new ATOM 0 HG23 ILE A 9 4.289 -4.518 3.951 1.00 10.24 H new ATOM 0 HD11 ILE A 9 5.782 -1.084 0.726 1.00 34.12 H new ATOM 0 HD12 ILE A 9 4.189 -0.648 1.390 1.00 34.12 H new ATOM 0 HD13 ILE A 9 5.670 -0.236 2.286 1.00 34.12 H new ATOM 152 N SER A 10 0.800 -2.978 4.701 1.00 71.12 N ATOM 153 CA SER A 10 -0.128 -3.145 5.820 1.00 1.24 C ATOM 154 C SER A 10 -0.020 -4.593 6.335 1.00 42.02 C ATOM 155 O SER A 10 -0.133 -5.554 5.566 1.00 61.21 O ATOM 156 CB SER A 10 -1.566 -2.794 5.375 1.00 45.24 C ATOM 157 OG SER A 10 -1.648 -1.470 4.862 1.00 1.44 O ATOM 0 H SER A 10 0.453 -3.365 3.823 1.00 71.12 H new ATOM 0 HA SER A 10 0.128 -2.467 6.634 1.00 1.24 H new ATOM 0 HB2 SER A 10 -1.894 -3.501 4.613 1.00 45.24 H new ATOM 0 HB3 SER A 10 -2.245 -2.899 6.221 1.00 45.24 H new ATOM 0 HG SER A 10 -2.570 -1.282 4.588 1.00 1.44 H new ATOM 163 N SER A 11 0.312 -4.708 7.619 1.00 52.41 N ATOM 164 CA SER A 11 0.394 -5.986 8.335 1.00 61.14 C ATOM 165 C SER A 11 -0.213 -5.823 9.738 1.00 74.15 C ATOM 166 O SER A 11 0.311 -5.039 10.538 1.00 43.13 O ATOM 167 CB SER A 11 1.873 -6.459 8.405 1.00 72.52 C ATOM 168 OG SER A 11 2.732 -5.452 8.922 1.00 42.44 O ATOM 0 H SER A 11 0.536 -3.903 8.204 1.00 52.41 H new ATOM 0 HA SER A 11 -0.174 -6.749 7.802 1.00 61.14 H new ATOM 0 HB2 SER A 11 1.939 -7.348 9.032 1.00 72.52 H new ATOM 0 HB3 SER A 11 2.209 -6.745 7.408 1.00 72.52 H new ATOM 0 HG SER A 11 2.250 -4.923 9.592 1.00 42.44 H new ATOM 174 N ASP A 12 -1.352 -6.514 9.977 1.00 20.12 N ATOM 175 CA ASP A 12 -2.038 -6.625 11.291 1.00 3.52 C ATOM 176 C ASP A 12 -2.806 -5.334 11.670 1.00 51.33 C ATOM 177 O ASP A 12 -4.019 -5.368 11.853 1.00 60.34 O ATOM 178 CB ASP A 12 -1.059 -7.054 12.428 1.00 74.15 C ATOM 179 CG ASP A 12 -1.751 -7.223 13.794 1.00 73.23 C ATOM 180 OD1 ASP A 12 -2.388 -8.268 14.023 1.00 2.12 O ATOM 181 OD2 ASP A 12 -1.677 -6.319 14.640 1.00 0.32 O ATOM 0 H ASP A 12 -1.836 -7.026 9.240 1.00 20.12 H new ATOM 0 HA ASP A 12 -2.779 -7.416 11.179 1.00 3.52 H new ATOM 0 HB2 ASP A 12 -0.581 -7.994 12.152 1.00 74.15 H new ATOM 0 HB3 ASP A 12 -0.269 -6.309 12.518 1.00 74.15 H new ATOM 186 N ASP A 13 -2.078 -4.218 11.803 1.00 62.14 N ATOM 187 CA ASP A 13 -2.634 -2.915 12.215 1.00 75.12 C ATOM 188 C ASP A 13 -3.549 -2.317 11.113 1.00 43.14 C ATOM 189 O ASP A 13 -3.201 -2.340 9.924 1.00 43.43 O ATOM 190 CB ASP A 13 -1.467 -1.950 12.558 1.00 34.42 C ATOM 191 CG ASP A 13 -1.951 -0.622 13.166 1.00 55.21 C ATOM 192 OD1 ASP A 13 -2.187 -0.570 14.389 1.00 53.41 O ATOM 193 OD2 ASP A 13 -2.121 0.359 12.424 1.00 41.32 O ATOM 0 H ASP A 13 -1.074 -4.190 11.626 1.00 62.14 H new ATOM 0 HA ASP A 13 -3.255 -3.057 13.100 1.00 75.12 H new ATOM 0 HB2 ASP A 13 -0.790 -2.440 13.258 1.00 34.42 H new ATOM 0 HB3 ASP A 13 -0.895 -1.743 11.654 1.00 34.42 H new ATOM 198 N THR A 14 -4.704 -1.766 11.536 1.00 10.21 N ATOM 199 CA THR A 14 -5.778 -1.317 10.623 1.00 3.42 C ATOM 200 C THR A 14 -5.616 0.167 10.205 1.00 25.12 C ATOM 201 O THR A 14 -6.165 0.587 9.176 1.00 4.00 O ATOM 202 CB THR A 14 -7.184 -1.536 11.283 1.00 51.13 C ATOM 203 OG1 THR A 14 -7.264 -2.866 11.826 1.00 32.11 O ATOM 204 CG2 THR A 14 -8.339 -1.342 10.279 1.00 34.50 C ATOM 0 H THR A 14 -4.920 -1.619 12.522 1.00 10.21 H new ATOM 0 HA THR A 14 -5.701 -1.922 9.719 1.00 3.42 H new ATOM 0 HB THR A 14 -7.288 -0.789 12.070 1.00 51.13 H new ATOM 0 HG1 THR A 14 -8.143 -2.998 12.239 1.00 32.11 H new ATOM 0 HG21 THR A 14 -9.291 -1.504 10.784 1.00 34.50 H new ATOM 0 HG22 THR A 14 -8.308 -0.328 9.880 1.00 34.50 H new ATOM 0 HG23 THR A 14 -8.235 -2.056 9.462 1.00 34.50 H new ATOM 212 N THR A 15 -4.865 0.960 11.003 1.00 64.04 N ATOM 213 CA THR A 15 -4.713 2.414 10.772 1.00 24.31 C ATOM 214 C THR A 15 -4.160 2.714 9.362 1.00 22.41 C ATOM 215 O THR A 15 -4.614 3.646 8.723 1.00 4.03 O ATOM 216 CB THR A 15 -3.787 3.079 11.843 1.00 43.24 C ATOM 217 OG1 THR A 15 -4.105 2.560 13.148 1.00 75.54 O ATOM 218 CG2 THR A 15 -3.916 4.620 11.865 1.00 10.25 C ATOM 0 H THR A 15 -4.353 0.615 11.815 1.00 64.04 H new ATOM 0 HA THR A 15 -5.712 2.842 10.857 1.00 24.31 H new ATOM 0 HB THR A 15 -2.759 2.837 11.573 1.00 43.24 H new ATOM 0 HG1 THR A 15 -3.607 1.730 13.300 1.00 75.54 H new ATOM 0 HG21 THR A 15 -3.252 5.030 12.626 1.00 10.25 H new ATOM 0 HG22 THR A 15 -3.642 5.022 10.890 1.00 10.25 H new ATOM 0 HG23 THR A 15 -4.945 4.896 12.095 1.00 10.25 H new ATOM 226 N LEU A 16 -3.247 1.852 8.863 1.00 34.43 N ATOM 227 CA LEU A 16 -2.610 2.028 7.531 1.00 41.31 C ATOM 228 C LEU A 16 -3.648 1.863 6.397 1.00 53.32 C ATOM 229 O LEU A 16 -3.535 2.495 5.344 1.00 51.14 O ATOM 230 CB LEU A 16 -1.423 1.037 7.314 1.00 63.41 C ATOM 231 CG LEU A 16 -0.155 1.243 8.225 1.00 52.42 C ATOM 232 CD1 LEU A 16 -0.389 0.737 9.661 1.00 33.41 C ATOM 233 CD2 LEU A 16 1.104 0.592 7.597 1.00 22.14 C ATOM 0 H LEU A 16 -2.931 1.021 9.363 1.00 34.43 H new ATOM 0 HA LEU A 16 -2.210 3.041 7.503 1.00 41.31 H new ATOM 0 HB2 LEU A 16 -1.793 0.024 7.470 1.00 63.41 H new ATOM 0 HB3 LEU A 16 -1.109 1.105 6.273 1.00 63.41 H new ATOM 0 HG LEU A 16 0.022 2.317 8.288 1.00 52.42 H new ATOM 0 HD11 LEU A 16 0.511 0.898 10.255 1.00 33.41 H new ATOM 0 HD12 LEU A 16 -1.221 1.281 10.108 1.00 33.41 H new ATOM 0 HD13 LEU A 16 -0.622 -0.327 9.638 1.00 33.41 H new ATOM 0 HD21 LEU A 16 1.961 0.753 8.251 1.00 22.14 H new ATOM 0 HD22 LEU A 16 0.937 -0.478 7.474 1.00 22.14 H new ATOM 0 HD23 LEU A 16 1.300 1.043 6.624 1.00 22.14 H new ATOM 245 N GLU A 17 -4.660 1.015 6.663 1.00 11.31 N ATOM 246 CA GLU A 17 -5.790 0.741 5.746 1.00 10.32 C ATOM 247 C GLU A 17 -6.755 1.943 5.711 1.00 3.40 C ATOM 248 O GLU A 17 -7.328 2.271 4.661 1.00 45.11 O ATOM 249 CB GLU A 17 -6.551 -0.515 6.229 1.00 42.40 C ATOM 250 CG GLU A 17 -5.668 -1.771 6.421 1.00 70.01 C ATOM 251 CD GLU A 17 -6.427 -2.944 7.066 1.00 2.24 C ATOM 252 OE1 GLU A 17 -7.598 -3.192 6.698 1.00 33.34 O ATOM 253 OE2 GLU A 17 -5.873 -3.614 7.963 1.00 30.15 O ATOM 0 H GLU A 17 -4.719 0.490 7.536 1.00 11.31 H new ATOM 0 HA GLU A 17 -5.398 0.573 4.743 1.00 10.32 H new ATOM 0 HB2 GLU A 17 -7.042 -0.285 7.174 1.00 42.40 H new ATOM 0 HB3 GLU A 17 -7.337 -0.746 5.510 1.00 42.40 H new ATOM 0 HG2 GLU A 17 -5.278 -2.086 5.453 1.00 70.01 H new ATOM 0 HG3 GLU A 17 -4.810 -1.514 7.043 1.00 70.01 H new ATOM 260 N GLU A 18 -6.924 2.589 6.882 1.00 34.15 N ATOM 261 CA GLU A 18 -7.787 3.777 7.031 1.00 32.14 C ATOM 262 C GLU A 18 -7.117 5.018 6.406 1.00 14.34 C ATOM 263 O GLU A 18 -7.787 5.861 5.794 1.00 23.51 O ATOM 264 CB GLU A 18 -8.103 4.025 8.529 1.00 1.54 C ATOM 265 CG GLU A 18 -8.748 2.822 9.249 1.00 65.10 C ATOM 266 CD GLU A 18 -10.061 2.344 8.604 1.00 64.21 C ATOM 267 OE1 GLU A 18 -11.123 2.948 8.870 1.00 63.35 O ATOM 268 OE2 GLU A 18 -10.046 1.361 7.835 1.00 31.41 O ATOM 0 H GLU A 18 -6.468 2.303 7.748 1.00 34.15 H new ATOM 0 HA GLU A 18 -8.723 3.594 6.503 1.00 32.14 H new ATOM 0 HB2 GLU A 18 -7.180 4.290 9.044 1.00 1.54 H new ATOM 0 HB3 GLU A 18 -8.770 4.883 8.610 1.00 1.54 H new ATOM 0 HG2 GLU A 18 -8.038 1.995 9.262 1.00 65.10 H new ATOM 0 HG3 GLU A 18 -8.941 3.093 10.287 1.00 65.10 H new ATOM 275 N LEU A 19 -5.779 5.092 6.548 1.00 22.25 N ATOM 276 CA LEU A 19 -4.961 6.184 5.996 1.00 34.15 C ATOM 277 C LEU A 19 -4.829 6.026 4.477 1.00 13.13 C ATOM 278 O LEU A 19 -4.683 7.013 3.770 1.00 41.13 O ATOM 279 CB LEU A 19 -3.562 6.228 6.675 1.00 13.33 C ATOM 280 CG LEU A 19 -3.576 6.500 8.214 1.00 52.10 C ATOM 281 CD1 LEU A 19 -2.151 6.496 8.807 1.00 23.44 C ATOM 282 CD2 LEU A 19 -4.337 7.797 8.547 1.00 62.24 C ATOM 0 H LEU A 19 -5.235 4.391 7.052 1.00 22.25 H new ATOM 0 HA LEU A 19 -5.459 7.131 6.204 1.00 34.15 H new ATOM 0 HB2 LEU A 19 -3.059 5.278 6.495 1.00 13.33 H new ATOM 0 HB3 LEU A 19 -2.965 7.001 6.191 1.00 13.33 H new ATOM 0 HG LEU A 19 -4.116 5.680 8.688 1.00 52.10 H new ATOM 0 HD11 LEU A 19 -2.202 6.689 9.879 1.00 23.44 H new ATOM 0 HD12 LEU A 19 -1.688 5.524 8.635 1.00 23.44 H new ATOM 0 HD13 LEU A 19 -1.555 7.272 8.327 1.00 23.44 H new ATOM 0 HD21 LEU A 19 -4.328 7.957 9.625 1.00 62.24 H new ATOM 0 HD22 LEU A 19 -3.855 8.639 8.051 1.00 62.24 H new ATOM 0 HD23 LEU A 19 -5.367 7.713 8.201 1.00 62.24 H new ATOM 294 N ALA A 20 -4.923 4.768 4.001 1.00 53.34 N ATOM 295 CA ALA A 20 -4.919 4.424 2.568 1.00 11.34 C ATOM 296 C ALA A 20 -6.026 5.166 1.808 1.00 43.33 C ATOM 297 O ALA A 20 -5.804 5.684 0.703 1.00 43.13 O ATOM 298 CB ALA A 20 -5.079 2.905 2.401 1.00 73.43 C ATOM 0 H ALA A 20 -5.005 3.954 4.610 1.00 53.34 H new ATOM 0 HA ALA A 20 -3.965 4.737 2.144 1.00 11.34 H new ATOM 0 HB1 ALA A 20 -5.076 2.653 1.340 1.00 73.43 H new ATOM 0 HB2 ALA A 20 -4.253 2.395 2.897 1.00 73.43 H new ATOM 0 HB3 ALA A 20 -6.022 2.587 2.846 1.00 73.43 H new ATOM 304 N ARG A 21 -7.219 5.210 2.437 1.00 10.14 N ATOM 305 CA ARG A 21 -8.377 5.960 1.929 1.00 21.04 C ATOM 306 C ARG A 21 -8.072 7.464 1.861 1.00 53.12 C ATOM 307 O ARG A 21 -8.383 8.117 0.866 1.00 64.34 O ATOM 308 CB ARG A 21 -9.626 5.691 2.814 1.00 25.51 C ATOM 309 CG ARG A 21 -10.870 6.545 2.457 1.00 42.12 C ATOM 310 CD ARG A 21 -11.382 6.324 1.012 1.00 5.31 C ATOM 311 NE ARG A 21 -12.082 7.508 0.485 1.00 3.31 N ATOM 312 CZ ARG A 21 -13.040 7.496 -0.457 1.00 71.35 C ATOM 313 NH1 ARG A 21 -13.452 6.351 -1.007 1.00 55.32 N ATOM 314 NH2 ARG A 21 -13.547 8.643 -0.879 1.00 42.23 N ATOM 0 H ARG A 21 -7.402 4.723 3.314 1.00 10.14 H new ATOM 0 HA ARG A 21 -8.589 5.616 0.917 1.00 21.04 H new ATOM 0 HB2 ARG A 21 -9.891 4.637 2.734 1.00 25.51 H new ATOM 0 HB3 ARG A 21 -9.363 5.875 3.856 1.00 25.51 H new ATOM 0 HG2 ARG A 21 -11.673 6.313 3.157 1.00 42.12 H new ATOM 0 HG3 ARG A 21 -10.627 7.599 2.590 1.00 42.12 H new ATOM 0 HD2 ARG A 21 -10.541 6.082 0.363 1.00 5.31 H new ATOM 0 HD3 ARG A 21 -12.055 5.467 0.994 1.00 5.31 H new ATOM 0 HE ARG A 21 -11.817 8.415 0.868 1.00 3.31 H new ATOM 0 HH11 ARG A 21 -13.038 5.466 -0.713 1.00 55.32 H new ATOM 0 HH12 ARG A 21 -14.181 6.361 -1.721 1.00 55.32 H new ATOM 0 HH21 ARG A 21 -13.210 9.523 -0.490 1.00 42.23 H new ATOM 0 HH22 ARG A 21 -14.275 8.647 -1.594 1.00 42.23 H new ATOM 328 N LYS A 22 -7.427 7.988 2.911 1.00 62.41 N ATOM 329 CA LYS A 22 -7.080 9.417 3.004 1.00 72.25 C ATOM 330 C LYS A 22 -6.094 9.828 1.887 1.00 54.22 C ATOM 331 O LYS A 22 -6.169 10.935 1.348 1.00 72.33 O ATOM 332 CB LYS A 22 -6.487 9.716 4.403 1.00 32.12 C ATOM 333 CG LYS A 22 -7.364 9.303 5.622 1.00 50.34 C ATOM 334 CD LYS A 22 -8.658 10.149 5.816 1.00 61.34 C ATOM 335 CE LYS A 22 -9.836 9.729 4.913 1.00 25.42 C ATOM 336 NZ LYS A 22 -11.037 10.583 5.131 1.00 70.25 N ATOM 0 H LYS A 22 -7.131 7.439 3.718 1.00 62.41 H new ATOM 0 HA LYS A 22 -7.987 10.007 2.868 1.00 72.25 H new ATOM 0 HB2 LYS A 22 -5.526 9.208 4.484 1.00 32.12 H new ATOM 0 HB3 LYS A 22 -6.289 10.786 4.470 1.00 32.12 H new ATOM 0 HG2 LYS A 22 -7.645 8.256 5.510 1.00 50.34 H new ATOM 0 HG3 LYS A 22 -6.760 9.376 6.527 1.00 50.34 H new ATOM 0 HD2 LYS A 22 -8.971 10.078 6.858 1.00 61.34 H new ATOM 0 HD3 LYS A 22 -8.425 11.196 5.624 1.00 61.34 H new ATOM 0 HE2 LYS A 22 -9.532 9.791 3.868 1.00 25.42 H new ATOM 0 HE3 LYS A 22 -10.091 8.688 5.110 1.00 25.42 H new ATOM 0 HZ1 LYS A 22 -11.805 10.268 4.505 1.00 70.25 H new ATOM 0 HZ2 LYS A 22 -11.343 10.505 6.122 1.00 70.25 H new ATOM 0 HZ3 LYS A 22 -10.802 11.574 4.918 1.00 70.25 H new ATOM 350 N ILE A 23 -5.196 8.901 1.541 1.00 60.41 N ATOM 351 CA ILE A 23 -4.193 9.087 0.487 1.00 53.20 C ATOM 352 C ILE A 23 -4.823 9.019 -0.932 1.00 61.51 C ATOM 353 O ILE A 23 -4.364 9.718 -1.841 1.00 0.02 O ATOM 354 CB ILE A 23 -3.041 8.033 0.667 1.00 72.55 C ATOM 355 CG1 ILE A 23 -2.364 8.204 2.068 1.00 1.11 C ATOM 356 CG2 ILE A 23 -1.997 8.142 -0.458 1.00 43.14 C ATOM 357 CD1 ILE A 23 -1.442 7.073 2.480 1.00 41.34 C ATOM 0 H ILE A 23 -5.144 7.987 1.991 1.00 60.41 H new ATOM 0 HA ILE A 23 -3.770 10.087 0.582 1.00 53.20 H new ATOM 0 HB ILE A 23 -3.483 7.038 0.609 1.00 72.55 H new ATOM 0 HG12 ILE A 23 -1.795 9.134 2.068 1.00 1.11 H new ATOM 0 HG13 ILE A 23 -3.145 8.308 2.821 1.00 1.11 H new ATOM 0 HG21 ILE A 23 -1.215 7.399 -0.302 1.00 43.14 H new ATOM 0 HG22 ILE A 23 -2.479 7.966 -1.420 1.00 43.14 H new ATOM 0 HG23 ILE A 23 -1.557 9.139 -0.450 1.00 43.14 H new ATOM 0 HD11 ILE A 23 -1.023 7.285 3.464 1.00 41.34 H new ATOM 0 HD12 ILE A 23 -2.005 6.140 2.519 1.00 41.34 H new ATOM 0 HD13 ILE A 23 -0.634 6.979 1.754 1.00 41.34 H new ATOM 369 N LYS A 24 -5.886 8.201 -1.136 1.00 11.23 N ATOM 370 CA LYS A 24 -6.601 8.200 -2.446 1.00 0.12 C ATOM 371 C LYS A 24 -7.489 9.449 -2.579 1.00 10.54 C ATOM 372 O LYS A 24 -7.844 9.847 -3.696 1.00 71.32 O ATOM 373 CB LYS A 24 -7.443 6.917 -2.713 1.00 11.52 C ATOM 374 CG LYS A 24 -8.720 6.757 -1.851 1.00 61.11 C ATOM 375 CD LYS A 24 -9.774 5.811 -2.479 1.00 64.14 C ATOM 376 CE LYS A 24 -9.246 4.401 -2.744 1.00 4.32 C ATOM 377 NZ LYS A 24 -10.296 3.505 -3.289 1.00 53.43 N ATOM 0 H LYS A 24 -6.260 7.554 -0.441 1.00 11.23 H new ATOM 0 HA LYS A 24 -5.819 8.214 -3.205 1.00 0.12 H new ATOM 0 HB2 LYS A 24 -7.733 6.908 -3.764 1.00 11.52 H new ATOM 0 HB3 LYS A 24 -6.806 6.047 -2.551 1.00 11.52 H new ATOM 0 HG2 LYS A 24 -8.441 6.376 -0.869 1.00 61.11 H new ATOM 0 HG3 LYS A 24 -9.170 7.738 -1.696 1.00 61.11 H new ATOM 0 HD2 LYS A 24 -10.636 5.749 -1.815 1.00 64.14 H new ATOM 0 HD3 LYS A 24 -10.124 6.242 -3.417 1.00 64.14 H new ATOM 0 HE2 LYS A 24 -8.414 4.452 -3.446 1.00 4.32 H new ATOM 0 HE3 LYS A 24 -8.856 3.980 -1.817 1.00 4.32 H new ATOM 0 HZ1 LYS A 24 -9.870 2.844 -3.970 1.00 53.43 H new ATOM 0 HZ2 LYS A 24 -10.732 2.968 -2.512 1.00 53.43 H new ATOM 0 HZ3 LYS A 24 -11.023 4.074 -3.768 1.00 53.43 H new ATOM 391 N ASP A 25 -7.852 10.052 -1.420 1.00 53.44 N ATOM 392 CA ASP A 25 -8.587 11.335 -1.367 1.00 33.21 C ATOM 393 C ASP A 25 -7.697 12.518 -1.803 1.00 32.41 C ATOM 394 O ASP A 25 -8.207 13.620 -2.028 1.00 43.03 O ATOM 395 CB ASP A 25 -9.188 11.587 0.049 1.00 33.21 C ATOM 396 CG ASP A 25 -10.314 10.601 0.430 1.00 61.13 C ATOM 397 OD1 ASP A 25 -11.171 10.305 -0.426 1.00 71.41 O ATOM 398 OD2 ASP A 25 -10.375 10.139 1.596 1.00 5.31 O ATOM 0 H ASP A 25 -7.643 9.662 -0.501 1.00 53.44 H new ATOM 0 HA ASP A 25 -9.412 11.262 -2.075 1.00 33.21 H new ATOM 0 HB2 ASP A 25 -8.391 11.519 0.790 1.00 33.21 H new ATOM 0 HB3 ASP A 25 -9.577 12.604 0.093 1.00 33.21 H new ATOM 403 N GLU A 26 -6.375 12.265 -1.950 1.00 61.32 N ATOM 404 CA GLU A 26 -5.428 13.222 -2.558 1.00 32.52 C ATOM 405 C GLU A 26 -5.557 13.222 -4.106 1.00 64.34 C ATOM 406 O GLU A 26 -4.875 13.993 -4.782 1.00 24.53 O ATOM 407 CB GLU A 26 -3.968 12.888 -2.132 1.00 11.51 C ATOM 408 CG GLU A 26 -3.730 12.760 -0.604 1.00 72.44 C ATOM 409 CD GLU A 26 -3.955 14.059 0.187 1.00 45.52 C ATOM 410 OE1 GLU A 26 -5.108 14.365 0.561 1.00 22.42 O ATOM 411 OE2 GLU A 26 -2.974 14.783 0.461 1.00 64.14 O ATOM 0 H GLU A 26 -5.939 11.393 -1.650 1.00 61.32 H new ATOM 0 HA GLU A 26 -5.675 14.220 -2.197 1.00 32.52 H new ATOM 0 HB2 GLU A 26 -3.675 11.952 -2.607 1.00 11.51 H new ATOM 0 HB3 GLU A 26 -3.308 13.664 -2.521 1.00 11.51 H new ATOM 0 HG2 GLU A 26 -4.392 11.990 -0.209 1.00 72.44 H new ATOM 0 HG3 GLU A 26 -2.709 12.419 -0.435 1.00 72.44 H new ATOM 418 N GLY A 27 -6.445 12.357 -4.647 1.00 31.25 N ATOM 419 CA GLY A 27 -6.715 12.288 -6.085 1.00 52.34 C ATOM 420 C GLY A 27 -5.723 11.406 -6.829 1.00 33.41 C ATOM 421 O GLY A 27 -5.430 11.649 -8.007 1.00 31.41 O ATOM 0 H GLY A 27 -6.988 11.694 -4.094 1.00 31.25 H new ATOM 0 HA2 GLY A 27 -7.724 11.906 -6.243 1.00 52.34 H new ATOM 0 HA3 GLY A 27 -6.686 13.294 -6.504 1.00 52.34 H new ATOM 425 N LEU A 28 -5.184 10.388 -6.134 1.00 74.23 N ATOM 426 CA LEU A 28 -4.236 9.426 -6.730 1.00 12.32 C ATOM 427 C LEU A 28 -4.670 7.979 -6.478 1.00 11.32 C ATOM 428 O LEU A 28 -5.557 7.719 -5.653 1.00 60.43 O ATOM 429 CB LEU A 28 -2.792 9.709 -6.232 1.00 24.13 C ATOM 430 CG LEU A 28 -2.513 9.672 -4.686 1.00 2.40 C ATOM 431 CD1 LEU A 28 -2.328 8.240 -4.136 1.00 73.23 C ATOM 432 CD2 LEU A 28 -1.294 10.540 -4.339 1.00 61.22 C ATOM 0 H LEU A 28 -5.390 10.209 -5.151 1.00 74.23 H new ATOM 0 HA LEU A 28 -4.241 9.561 -7.812 1.00 12.32 H new ATOM 0 HB2 LEU A 28 -2.130 8.985 -6.706 1.00 24.13 H new ATOM 0 HB3 LEU A 28 -2.502 10.694 -6.598 1.00 24.13 H new ATOM 0 HG LEU A 28 -3.400 10.080 -4.201 1.00 2.40 H new ATOM 0 HD11 LEU A 28 -2.139 8.284 -3.063 1.00 73.23 H new ATOM 0 HD12 LEU A 28 -3.232 7.659 -4.322 1.00 73.23 H new ATOM 0 HD13 LEU A 28 -1.483 7.765 -4.635 1.00 73.23 H new ATOM 0 HD21 LEU A 28 -1.115 10.503 -3.264 1.00 61.22 H new ATOM 0 HD22 LEU A 28 -0.417 10.163 -4.866 1.00 61.22 H new ATOM 0 HD23 LEU A 28 -1.483 11.570 -4.640 1.00 61.22 H new ATOM 444 N GLU A 29 -4.029 7.053 -7.206 1.00 22.02 N ATOM 445 CA GLU A 29 -4.250 5.610 -7.073 1.00 2.34 C ATOM 446 C GLU A 29 -3.336 5.036 -5.967 1.00 10.21 C ATOM 447 O GLU A 29 -2.136 5.307 -5.954 1.00 31.51 O ATOM 448 CB GLU A 29 -3.955 4.954 -8.443 1.00 60.10 C ATOM 449 CG GLU A 29 -4.199 3.435 -8.505 1.00 3.12 C ATOM 450 CD GLU A 29 -4.081 2.870 -9.930 1.00 55.20 C ATOM 451 OE1 GLU A 29 -2.967 2.892 -10.506 1.00 32.40 O ATOM 452 OE2 GLU A 29 -5.104 2.430 -10.496 1.00 2.21 O ATOM 0 H GLU A 29 -3.333 7.291 -7.913 1.00 22.02 H new ATOM 0 HA GLU A 29 -5.280 5.401 -6.785 1.00 2.34 H new ATOM 0 HB2 GLU A 29 -4.573 5.437 -9.200 1.00 60.10 H new ATOM 0 HB3 GLU A 29 -2.916 5.151 -8.706 1.00 60.10 H new ATOM 0 HG2 GLU A 29 -3.482 2.930 -7.858 1.00 3.12 H new ATOM 0 HG3 GLU A 29 -5.192 3.215 -8.113 1.00 3.12 H new ATOM 459 N VAL A 30 -3.916 4.258 -5.036 1.00 0.11 N ATOM 460 CA VAL A 30 -3.189 3.661 -3.895 1.00 42.02 C ATOM 461 C VAL A 30 -3.056 2.143 -4.091 1.00 73.51 C ATOM 462 O VAL A 30 -4.041 1.452 -4.412 1.00 62.12 O ATOM 463 CB VAL A 30 -3.912 3.966 -2.523 1.00 35.43 C ATOM 464 CG1 VAL A 30 -3.168 3.319 -1.330 1.00 51.11 C ATOM 465 CG2 VAL A 30 -4.052 5.485 -2.314 1.00 15.01 C ATOM 0 H VAL A 30 -4.908 4.023 -5.052 1.00 0.11 H new ATOM 0 HA VAL A 30 -2.197 4.111 -3.859 1.00 42.02 H new ATOM 0 HB VAL A 30 -4.908 3.525 -2.568 1.00 35.43 H new ATOM 0 HG11 VAL A 30 -3.694 3.550 -0.404 1.00 51.11 H new ATOM 0 HG12 VAL A 30 -3.132 2.238 -1.467 1.00 51.11 H new ATOM 0 HG13 VAL A 30 -2.153 3.712 -1.278 1.00 51.11 H new ATOM 0 HG21 VAL A 30 -4.552 5.677 -1.365 1.00 15.01 H new ATOM 0 HG22 VAL A 30 -3.063 5.943 -2.303 1.00 15.01 H new ATOM 0 HG23 VAL A 30 -4.640 5.911 -3.127 1.00 15.01 H new ATOM 475 N TYR A 31 -1.827 1.644 -3.909 1.00 24.13 N ATOM 476 CA TYR A 31 -1.496 0.212 -3.941 1.00 51.40 C ATOM 477 C TYR A 31 -1.273 -0.238 -2.498 1.00 44.14 C ATOM 478 O TYR A 31 -0.716 0.510 -1.700 1.00 43.02 O ATOM 479 CB TYR A 31 -0.203 -0.051 -4.781 1.00 55.20 C ATOM 480 CG TYR A 31 -0.300 0.200 -6.302 1.00 52.35 C ATOM 481 CD1 TYR A 31 -1.352 0.914 -6.872 1.00 20.32 C ATOM 482 CD2 TYR A 31 0.678 -0.289 -7.173 1.00 34.13 C ATOM 483 CE1 TYR A 31 -1.422 1.126 -8.225 1.00 44.24 C ATOM 484 CE2 TYR A 31 0.606 -0.072 -8.539 1.00 12.12 C ATOM 485 CZ TYR A 31 -0.451 0.638 -9.054 1.00 2.30 C ATOM 486 OH TYR A 31 -0.537 0.877 -10.406 1.00 54.35 O ATOM 0 H TYR A 31 -1.016 2.237 -3.731 1.00 24.13 H new ATOM 0 HA TYR A 31 -2.309 -0.344 -4.408 1.00 51.40 H new ATOM 0 HB2 TYR A 31 0.595 0.576 -4.383 1.00 55.20 H new ATOM 0 HB3 TYR A 31 0.099 -1.087 -4.626 1.00 55.20 H new ATOM 0 HD1 TYR A 31 -2.129 1.309 -6.234 1.00 20.32 H new ATOM 0 HD2 TYR A 31 1.509 -0.849 -6.771 1.00 34.13 H new ATOM 0 HE1 TYR A 31 -2.250 1.682 -8.638 1.00 44.24 H new ATOM 0 HE2 TYR A 31 1.374 -0.458 -9.193 1.00 12.12 H new ATOM 0 HH TYR A 31 -1.291 1.477 -10.585 1.00 54.35 H new ATOM 496 N ILE A 32 -1.737 -1.437 -2.154 1.00 61.52 N ATOM 497 CA ILE A 32 -1.575 -2.013 -0.815 1.00 60.32 C ATOM 498 C ILE A 32 -0.867 -3.374 -0.948 1.00 43.13 C ATOM 499 O ILE A 32 -1.349 -4.259 -1.646 1.00 40.02 O ATOM 500 CB ILE A 32 -2.966 -2.202 -0.087 1.00 20.33 C ATOM 501 CG1 ILE A 32 -3.839 -0.905 -0.117 1.00 71.14 C ATOM 502 CG2 ILE A 32 -2.763 -2.669 1.372 1.00 3.42 C ATOM 503 CD1 ILE A 32 -3.310 0.250 0.709 1.00 43.41 C ATOM 0 H ILE A 32 -2.241 -2.044 -2.800 1.00 61.52 H new ATOM 0 HA ILE A 32 -0.980 -1.328 -0.211 1.00 60.32 H new ATOM 0 HB ILE A 32 -3.505 -2.972 -0.640 1.00 20.33 H new ATOM 0 HG12 ILE A 32 -3.936 -0.576 -1.152 1.00 71.14 H new ATOM 0 HG13 ILE A 32 -4.841 -1.153 0.234 1.00 71.14 H new ATOM 0 HG21 ILE A 32 -3.733 -2.792 1.853 1.00 3.42 H new ATOM 0 HG22 ILE A 32 -2.231 -3.620 1.379 1.00 3.42 H new ATOM 0 HG23 ILE A 32 -2.181 -1.924 1.915 1.00 3.42 H new ATOM 0 HD11 ILE A 32 -3.987 1.100 0.621 1.00 43.41 H new ATOM 0 HD12 ILE A 32 -3.240 -0.052 1.754 1.00 43.41 H new ATOM 0 HD13 ILE A 32 -2.322 0.534 0.347 1.00 43.41 H new ATOM 515 N LEU A 33 0.293 -3.521 -0.306 1.00 24.12 N ATOM 516 CA LEU A 33 1.006 -4.798 -0.214 1.00 3.13 C ATOM 517 C LEU A 33 0.769 -5.380 1.175 1.00 52.14 C ATOM 518 O LEU A 33 1.296 -4.882 2.179 1.00 42.22 O ATOM 519 CB LEU A 33 2.515 -4.621 -0.521 1.00 42.44 C ATOM 520 CG LEU A 33 2.845 -4.098 -1.958 1.00 3.23 C ATOM 521 CD1 LEU A 33 4.349 -4.195 -2.267 1.00 34.40 C ATOM 522 CD2 LEU A 33 2.008 -4.800 -3.045 1.00 21.40 C ATOM 0 H LEU A 33 0.768 -2.753 0.168 1.00 24.12 H new ATOM 0 HA LEU A 33 0.625 -5.493 -0.962 1.00 3.13 H new ATOM 0 HB2 LEU A 33 2.939 -3.929 0.207 1.00 42.44 H new ATOM 0 HB3 LEU A 33 3.014 -5.579 -0.377 1.00 42.44 H new ATOM 0 HG LEU A 33 2.569 -3.044 -1.973 1.00 3.23 H new ATOM 0 HD11 LEU A 33 4.538 -3.823 -3.274 1.00 34.40 H new ATOM 0 HD12 LEU A 33 4.908 -3.596 -1.548 1.00 34.40 H new ATOM 0 HD13 LEU A 33 4.668 -5.235 -2.199 1.00 34.40 H new ATOM 0 HD21 LEU A 33 2.275 -4.401 -4.024 1.00 21.40 H new ATOM 0 HD22 LEU A 33 2.208 -5.871 -3.023 1.00 21.40 H new ATOM 0 HD23 LEU A 33 0.949 -4.625 -2.858 1.00 21.40 H new ATOM 534 N LEU A 34 -0.060 -6.418 1.220 1.00 40.40 N ATOM 535 CA LEU A 34 -0.526 -7.028 2.462 1.00 43.33 C ATOM 536 C LEU A 34 0.347 -8.260 2.753 1.00 41.14 C ATOM 537 O LEU A 34 0.578 -9.087 1.854 1.00 32.24 O ATOM 538 CB LEU A 34 -2.048 -7.416 2.326 1.00 74.32 C ATOM 539 CG LEU A 34 -3.005 -6.934 3.476 1.00 11.13 C ATOM 540 CD1 LEU A 34 -2.595 -7.436 4.884 1.00 5.02 C ATOM 541 CD2 LEU A 34 -3.135 -5.414 3.461 1.00 3.42 C ATOM 0 H LEU A 34 -0.433 -6.866 0.383 1.00 40.40 H new ATOM 0 HA LEU A 34 -0.439 -6.328 3.293 1.00 43.33 H new ATOM 0 HB2 LEU A 34 -2.419 -7.013 1.384 1.00 74.32 H new ATOM 0 HB3 LEU A 34 -2.118 -8.502 2.258 1.00 74.32 H new ATOM 0 HG LEU A 34 -3.976 -7.385 3.270 1.00 11.13 H new ATOM 0 HD11 LEU A 34 -3.303 -7.062 5.624 1.00 5.02 H new ATOM 0 HD12 LEU A 34 -2.598 -8.526 4.897 1.00 5.02 H new ATOM 0 HD13 LEU A 34 -1.595 -7.073 5.123 1.00 5.02 H new ATOM 0 HD21 LEU A 34 -3.801 -5.098 4.264 1.00 3.42 H new ATOM 0 HD22 LEU A 34 -2.153 -4.963 3.606 1.00 3.42 H new ATOM 0 HD23 LEU A 34 -3.544 -5.093 2.503 1.00 3.42 H new ATOM 553 N LYS A 35 0.819 -8.385 4.007 1.00 41.33 N ATOM 554 CA LYS A 35 1.529 -9.586 4.486 1.00 70.32 C ATOM 555 C LYS A 35 1.071 -9.932 5.914 1.00 14.22 C ATOM 556 O LYS A 35 1.021 -9.072 6.792 1.00 12.52 O ATOM 557 CB LYS A 35 3.070 -9.427 4.376 1.00 75.45 C ATOM 558 CG LYS A 35 3.672 -8.159 5.011 1.00 63.40 C ATOM 559 CD LYS A 35 5.216 -8.174 4.929 1.00 13.24 C ATOM 560 CE LYS A 35 5.865 -6.879 5.429 1.00 42.24 C ATOM 561 NZ LYS A 35 5.477 -6.550 6.826 1.00 51.32 N ATOM 0 H LYS A 35 0.719 -7.658 4.716 1.00 41.33 H new ATOM 0 HA LYS A 35 1.270 -10.425 3.840 1.00 70.32 H new ATOM 0 HB2 LYS A 35 3.538 -10.296 4.838 1.00 75.45 H new ATOM 0 HB3 LYS A 35 3.341 -9.443 3.320 1.00 75.45 H new ATOM 0 HG2 LYS A 35 3.286 -7.276 4.502 1.00 63.40 H new ATOM 0 HG3 LYS A 35 3.361 -8.088 6.053 1.00 63.40 H new ATOM 0 HD2 LYS A 35 5.595 -9.011 5.515 1.00 13.24 H new ATOM 0 HD3 LYS A 35 5.516 -8.346 3.895 1.00 13.24 H new ATOM 0 HE2 LYS A 35 6.949 -6.973 5.369 1.00 42.24 H new ATOM 0 HE3 LYS A 35 5.580 -6.057 4.773 1.00 42.24 H new ATOM 0 HZ1 LYS A 35 5.968 -5.685 7.128 1.00 51.32 H new ATOM 0 HZ2 LYS A 35 4.449 -6.399 6.874 1.00 51.32 H new ATOM 0 HZ3 LYS A 35 5.742 -7.336 7.454 1.00 51.32 H new ATOM 575 N ASP A 36 0.699 -11.208 6.111 1.00 1.40 N ATOM 576 CA ASP A 36 0.080 -11.716 7.354 1.00 45.51 C ATOM 577 C ASP A 36 0.767 -13.022 7.785 1.00 53.34 C ATOM 578 O ASP A 36 1.547 -13.593 7.014 1.00 3.11 O ATOM 579 CB ASP A 36 -1.437 -11.926 7.102 1.00 41.01 C ATOM 580 CG ASP A 36 -2.235 -12.417 8.316 1.00 14.43 C ATOM 581 OD1 ASP A 36 -2.395 -11.642 9.286 1.00 21.24 O ATOM 582 OD2 ASP A 36 -2.707 -13.574 8.313 1.00 13.14 O ATOM 0 H ASP A 36 0.821 -11.930 5.401 1.00 1.40 H new ATOM 0 HA ASP A 36 0.205 -10.997 8.164 1.00 45.51 H new ATOM 0 HB2 ASP A 36 -1.867 -10.984 6.761 1.00 41.01 H new ATOM 0 HB3 ASP A 36 -1.559 -12.644 6.291 1.00 41.01 H new ATOM 587 N LYS A 37 0.460 -13.469 9.020 1.00 44.02 N ATOM 588 CA LYS A 37 0.969 -14.717 9.612 1.00 61.41 C ATOM 589 C LYS A 37 0.668 -15.954 8.722 1.00 25.41 C ATOM 590 O LYS A 37 1.490 -16.867 8.626 1.00 23.33 O ATOM 591 CB LYS A 37 0.336 -14.906 11.021 1.00 42.23 C ATOM 592 CG LYS A 37 0.945 -16.058 11.862 1.00 5.25 C ATOM 593 CD LYS A 37 2.419 -15.797 12.274 1.00 2.41 C ATOM 594 CE LYS A 37 2.567 -14.579 13.210 1.00 24.42 C ATOM 595 NZ LYS A 37 3.982 -14.331 13.605 1.00 1.54 N ATOM 0 H LYS A 37 -0.163 -12.958 9.645 1.00 44.02 H new ATOM 0 HA LYS A 37 2.053 -14.637 9.692 1.00 61.41 H new ATOM 0 HB2 LYS A 37 0.440 -13.975 11.578 1.00 42.23 H new ATOM 0 HB3 LYS A 37 -0.732 -15.088 10.902 1.00 42.23 H new ATOM 0 HG2 LYS A 37 0.343 -16.202 12.759 1.00 5.25 H new ATOM 0 HG3 LYS A 37 0.892 -16.985 11.290 1.00 5.25 H new ATOM 0 HD2 LYS A 37 2.816 -16.682 12.771 1.00 2.41 H new ATOM 0 HD3 LYS A 37 3.020 -15.638 11.379 1.00 2.41 H new ATOM 0 HE2 LYS A 37 2.171 -13.693 12.713 1.00 24.42 H new ATOM 0 HE3 LYS A 37 1.966 -14.738 14.105 1.00 24.42 H new ATOM 0 HZ1 LYS A 37 4.027 -13.503 14.233 1.00 1.54 H new ATOM 0 HZ2 LYS A 37 4.354 -15.164 14.103 1.00 1.54 H new ATOM 0 HZ3 LYS A 37 4.554 -14.152 12.755 1.00 1.54 H new ATOM 609 N ASP A 38 -0.519 -15.963 8.077 1.00 4.40 N ATOM 610 CA ASP A 38 -0.927 -17.048 7.151 1.00 72.10 C ATOM 611 C ASP A 38 -1.511 -16.457 5.850 1.00 13.14 C ATOM 612 O ASP A 38 -2.391 -15.608 5.905 1.00 53.23 O ATOM 613 CB ASP A 38 -1.956 -17.995 7.834 1.00 63.51 C ATOM 614 CG ASP A 38 -2.220 -19.271 7.009 1.00 74.42 C ATOM 615 OD1 ASP A 38 -3.038 -19.226 6.078 1.00 22.00 O ATOM 616 OD2 ASP A 38 -1.586 -20.319 7.275 1.00 21.52 O ATOM 0 H ASP A 38 -1.217 -15.227 8.180 1.00 4.40 H new ATOM 0 HA ASP A 38 -0.043 -17.633 6.896 1.00 72.10 H new ATOM 0 HB2 ASP A 38 -1.589 -18.274 8.822 1.00 63.51 H new ATOM 0 HB3 ASP A 38 -2.895 -17.461 7.982 1.00 63.51 H new ATOM 621 N GLU A 39 -1.003 -16.946 4.693 1.00 54.42 N ATOM 622 CA GLU A 39 -1.327 -16.413 3.341 1.00 12.52 C ATOM 623 C GLU A 39 -2.822 -16.526 2.904 1.00 72.33 C ATOM 624 O GLU A 39 -3.278 -15.690 2.110 1.00 35.33 O ATOM 625 CB GLU A 39 -0.367 -17.009 2.244 1.00 53.05 C ATOM 626 CG GLU A 39 -0.039 -18.513 2.353 1.00 13.43 C ATOM 627 CD GLU A 39 -1.257 -19.456 2.255 1.00 32.23 C ATOM 628 OE1 GLU A 39 -1.691 -19.771 1.126 1.00 34.22 O ATOM 629 OE2 GLU A 39 -1.784 -19.885 3.307 1.00 53.11 O ATOM 0 H GLU A 39 -0.350 -17.729 4.668 1.00 54.42 H new ATOM 0 HA GLU A 39 -1.154 -15.341 3.432 1.00 12.52 H new ATOM 0 HB2 GLU A 39 -0.814 -16.828 1.266 1.00 53.05 H new ATOM 0 HB3 GLU A 39 0.570 -16.453 2.274 1.00 53.05 H new ATOM 0 HG2 GLU A 39 0.667 -18.773 1.565 1.00 13.43 H new ATOM 0 HG3 GLU A 39 0.464 -18.692 3.303 1.00 13.43 H new ATOM 636 N LYS A 40 -3.588 -17.528 3.388 1.00 62.44 N ATOM 637 CA LYS A 40 -5.017 -17.667 2.984 1.00 21.22 C ATOM 638 C LYS A 40 -5.896 -16.715 3.820 1.00 22.52 C ATOM 639 O LYS A 40 -6.857 -16.127 3.304 1.00 43.24 O ATOM 640 CB LYS A 40 -5.500 -19.149 3.061 1.00 73.44 C ATOM 641 CG LYS A 40 -5.777 -19.699 4.479 1.00 72.24 C ATOM 642 CD LYS A 40 -6.025 -21.225 4.513 1.00 32.34 C ATOM 643 CE LYS A 40 -4.838 -22.044 3.968 1.00 73.10 C ATOM 644 NZ LYS A 40 -3.562 -21.735 4.674 1.00 4.22 N ATOM 0 H LYS A 40 -3.259 -18.238 4.042 1.00 62.44 H new ATOM 0 HA LYS A 40 -5.112 -17.377 1.938 1.00 21.22 H new ATOM 0 HB2 LYS A 40 -6.412 -19.244 2.471 1.00 73.44 H new ATOM 0 HB3 LYS A 40 -4.748 -19.780 2.589 1.00 73.44 H new ATOM 0 HG2 LYS A 40 -4.930 -19.462 5.123 1.00 72.24 H new ATOM 0 HG3 LYS A 40 -6.646 -19.189 4.894 1.00 72.24 H new ATOM 0 HD2 LYS A 40 -6.229 -21.531 5.539 1.00 32.34 H new ATOM 0 HD3 LYS A 40 -6.916 -21.455 3.929 1.00 32.34 H new ATOM 0 HE2 LYS A 40 -5.057 -23.107 4.068 1.00 73.10 H new ATOM 0 HE3 LYS A 40 -4.719 -21.842 2.903 1.00 73.10 H new ATOM 0 HZ1 LYS A 40 -3.091 -22.622 4.943 1.00 4.22 H new ATOM 0 HZ2 LYS A 40 -2.940 -21.190 4.044 1.00 4.22 H new ATOM 0 HZ3 LYS A 40 -3.764 -21.177 5.528 1.00 4.22 H new ATOM 658 N ARG A 41 -5.503 -16.529 5.099 1.00 62.05 N ATOM 659 CA ARG A 41 -6.098 -15.524 6.008 1.00 1.44 C ATOM 660 C ARG A 41 -5.795 -14.100 5.505 1.00 15.11 C ATOM 661 O ARG A 41 -6.625 -13.189 5.601 1.00 42.30 O ATOM 662 CB ARG A 41 -5.535 -15.715 7.443 1.00 23.24 C ATOM 663 CG ARG A 41 -6.098 -16.942 8.183 1.00 12.22 C ATOM 664 CD ARG A 41 -7.604 -16.802 8.490 1.00 31.01 C ATOM 665 NE ARG A 41 -8.111 -17.920 9.293 1.00 62.05 N ATOM 666 CZ ARG A 41 -9.225 -17.900 10.046 1.00 62.35 C ATOM 667 NH1 ARG A 41 -9.991 -16.809 10.125 1.00 70.14 N ATOM 668 NH2 ARG A 41 -9.556 -18.976 10.734 1.00 74.25 N ATOM 0 H ARG A 41 -4.759 -17.075 5.533 1.00 62.05 H new ATOM 0 HA ARG A 41 -7.179 -15.662 6.027 1.00 1.44 H new ATOM 0 HB2 ARG A 41 -4.450 -15.805 7.387 1.00 23.24 H new ATOM 0 HB3 ARG A 41 -5.751 -14.821 8.028 1.00 23.24 H new ATOM 0 HG2 ARG A 41 -5.934 -17.834 7.579 1.00 12.22 H new ATOM 0 HG3 ARG A 41 -5.551 -17.084 9.115 1.00 12.22 H new ATOM 0 HD2 ARG A 41 -7.780 -15.866 9.021 1.00 31.01 H new ATOM 0 HD3 ARG A 41 -8.160 -16.747 7.554 1.00 31.01 H new ATOM 0 HE ARG A 41 -7.573 -18.786 9.279 1.00 62.05 H new ATOM 0 HH11 ARG A 41 -9.735 -15.968 9.608 1.00 70.14 H new ATOM 0 HH12 ARG A 41 -10.832 -16.817 10.703 1.00 70.14 H new ATOM 0 HH21 ARG A 41 -8.970 -19.809 10.691 1.00 74.25 H new ATOM 0 HH22 ARG A 41 -10.398 -18.974 11.309 1.00 74.25 H new ATOM 682 N LEU A 42 -4.575 -13.952 4.993 1.00 1.35 N ATOM 683 CA LEU A 42 -4.073 -12.757 4.322 1.00 25.40 C ATOM 684 C LEU A 42 -4.964 -12.344 3.137 1.00 72.45 C ATOM 685 O LEU A 42 -5.323 -11.169 3.012 1.00 71.21 O ATOM 686 CB LEU A 42 -2.624 -13.072 3.856 1.00 61.12 C ATOM 687 CG LEU A 42 -1.840 -11.971 3.100 1.00 44.11 C ATOM 688 CD1 LEU A 42 -1.988 -10.637 3.802 1.00 71.44 C ATOM 689 CD2 LEU A 42 -0.346 -12.355 2.949 1.00 52.04 C ATOM 0 H LEU A 42 -3.879 -14.696 5.037 1.00 1.35 H new ATOM 0 HA LEU A 42 -4.084 -11.910 5.008 1.00 25.40 H new ATOM 0 HB2 LEU A 42 -2.044 -13.348 4.737 1.00 61.12 H new ATOM 0 HB3 LEU A 42 -2.665 -13.951 3.213 1.00 61.12 H new ATOM 0 HG LEU A 42 -2.262 -11.880 2.099 1.00 44.11 H new ATOM 0 HD11 LEU A 42 -1.431 -9.875 3.257 1.00 71.44 H new ATOM 0 HD12 LEU A 42 -3.042 -10.360 3.838 1.00 71.44 H new ATOM 0 HD13 LEU A 42 -1.599 -10.715 4.817 1.00 71.44 H new ATOM 0 HD21 LEU A 42 0.181 -11.564 2.415 1.00 52.04 H new ATOM 0 HD22 LEU A 42 0.098 -12.484 3.936 1.00 52.04 H new ATOM 0 HD23 LEU A 42 -0.265 -13.287 2.390 1.00 52.04 H new ATOM 701 N GLU A 43 -5.357 -13.337 2.315 1.00 22.34 N ATOM 702 CA GLU A 43 -6.123 -13.091 1.078 1.00 61.12 C ATOM 703 C GLU A 43 -7.573 -12.637 1.382 1.00 35.33 C ATOM 704 O GLU A 43 -8.227 -12.020 0.533 1.00 73.15 O ATOM 705 CB GLU A 43 -6.079 -14.326 0.142 1.00 62.32 C ATOM 706 CG GLU A 43 -6.617 -14.041 -1.283 1.00 23.20 C ATOM 707 CD GLU A 43 -6.265 -15.127 -2.300 1.00 14.22 C ATOM 708 OE1 GLU A 43 -5.101 -15.153 -2.757 1.00 64.12 O ATOM 709 OE2 GLU A 43 -7.146 -15.937 -2.669 1.00 31.41 O ATOM 0 H GLU A 43 -5.155 -14.322 2.487 1.00 22.34 H new ATOM 0 HA GLU A 43 -5.646 -12.267 0.548 1.00 61.12 H new ATOM 0 HB2 GLU A 43 -5.051 -14.681 0.069 1.00 62.32 H new ATOM 0 HB3 GLU A 43 -6.663 -15.131 0.588 1.00 62.32 H new ATOM 0 HG2 GLU A 43 -7.701 -13.935 -1.238 1.00 23.20 H new ATOM 0 HG3 GLU A 43 -6.217 -13.088 -1.629 1.00 23.20 H new ATOM 716 N GLU A 44 -8.040 -12.893 2.623 1.00 31.23 N ATOM 717 CA GLU A 44 -9.348 -12.407 3.101 1.00 42.42 C ATOM 718 C GLU A 44 -9.302 -10.875 3.245 1.00 42.22 C ATOM 719 O GLU A 44 -10.122 -10.155 2.663 1.00 64.33 O ATOM 720 CB GLU A 44 -9.703 -13.070 4.455 1.00 13.54 C ATOM 721 CG GLU A 44 -9.661 -14.607 4.434 1.00 60.11 C ATOM 722 CD GLU A 44 -10.643 -15.229 3.433 1.00 1.33 C ATOM 723 OE1 GLU A 44 -11.854 -15.293 3.741 1.00 70.54 O ATOM 724 OE2 GLU A 44 -10.220 -15.649 2.332 1.00 30.11 O ATOM 0 H GLU A 44 -7.525 -13.438 3.315 1.00 31.23 H new ATOM 0 HA GLU A 44 -10.120 -12.674 2.379 1.00 42.42 H new ATOM 0 HB2 GLU A 44 -9.011 -12.709 5.216 1.00 13.54 H new ATOM 0 HB3 GLU A 44 -10.701 -12.749 4.753 1.00 13.54 H new ATOM 0 HG2 GLU A 44 -8.650 -14.932 4.190 1.00 60.11 H new ATOM 0 HG3 GLU A 44 -9.884 -14.983 5.432 1.00 60.11 H new ATOM 731 N LYS A 45 -8.263 -10.410 3.976 1.00 32.41 N ATOM 732 CA LYS A 45 -7.982 -8.982 4.210 1.00 1.14 C ATOM 733 C LYS A 45 -7.770 -8.233 2.869 1.00 62.32 C ATOM 734 O LYS A 45 -8.283 -7.117 2.675 1.00 62.04 O ATOM 735 CB LYS A 45 -6.720 -8.845 5.117 1.00 74.05 C ATOM 736 CG LYS A 45 -6.181 -7.404 5.294 1.00 74.41 C ATOM 737 CD LYS A 45 -7.166 -6.437 5.977 1.00 5.20 C ATOM 738 CE LYS A 45 -7.436 -6.788 7.444 1.00 32.11 C ATOM 739 NZ LYS A 45 -8.253 -5.738 8.106 1.00 25.25 N ATOM 0 H LYS A 45 -7.588 -11.029 4.425 1.00 32.41 H new ATOM 0 HA LYS A 45 -8.838 -8.531 4.712 1.00 1.14 H new ATOM 0 HB2 LYS A 45 -6.955 -9.250 6.101 1.00 74.05 H new ATOM 0 HB3 LYS A 45 -5.925 -9.463 4.700 1.00 74.05 H new ATOM 0 HG2 LYS A 45 -5.263 -7.442 5.880 1.00 74.41 H new ATOM 0 HG3 LYS A 45 -5.918 -7.004 4.315 1.00 74.41 H new ATOM 0 HD2 LYS A 45 -6.769 -5.423 5.920 1.00 5.20 H new ATOM 0 HD3 LYS A 45 -8.108 -6.442 5.429 1.00 5.20 H new ATOM 0 HE2 LYS A 45 -7.953 -7.746 7.502 1.00 32.11 H new ATOM 0 HE3 LYS A 45 -6.490 -6.904 7.973 1.00 32.11 H new ATOM 0 HZ1 LYS A 45 -7.943 -5.628 9.093 1.00 25.25 H new ATOM 0 HZ2 LYS A 45 -8.133 -4.836 7.603 1.00 25.25 H new ATOM 0 HZ3 LYS A 45 -9.255 -6.014 8.086 1.00 25.25 H new ATOM 753 N ILE A 46 -7.026 -8.894 1.956 1.00 15.35 N ATOM 754 CA ILE A 46 -6.739 -8.395 0.603 1.00 11.42 C ATOM 755 C ILE A 46 -8.039 -8.075 -0.163 1.00 11.20 C ATOM 756 O ILE A 46 -8.198 -6.961 -0.667 1.00 62.42 O ATOM 757 CB ILE A 46 -5.844 -9.435 -0.194 1.00 1.33 C ATOM 758 CG1 ILE A 46 -4.408 -9.492 0.429 1.00 4.52 C ATOM 759 CG2 ILE A 46 -5.784 -9.140 -1.717 1.00 63.35 C ATOM 760 CD1 ILE A 46 -3.465 -10.497 -0.205 1.00 32.41 C ATOM 0 H ILE A 46 -6.604 -9.803 2.146 1.00 15.35 H new ATOM 0 HA ILE A 46 -6.179 -7.465 0.696 1.00 11.42 H new ATOM 0 HB ILE A 46 -6.317 -10.412 -0.096 1.00 1.33 H new ATOM 0 HG12 ILE A 46 -3.959 -8.501 0.356 1.00 4.52 H new ATOM 0 HG13 ILE A 46 -4.499 -9.724 1.490 1.00 4.52 H new ATOM 0 HG21 ILE A 46 -5.157 -9.885 -2.207 1.00 63.35 H new ATOM 0 HG22 ILE A 46 -6.790 -9.180 -2.135 1.00 63.35 H new ATOM 0 HG23 ILE A 46 -5.363 -8.148 -1.879 1.00 63.35 H new ATOM 0 HD11 ILE A 46 -2.499 -10.457 0.298 1.00 32.41 H new ATOM 0 HD12 ILE A 46 -3.883 -11.499 -0.109 1.00 32.41 H new ATOM 0 HD13 ILE A 46 -3.334 -10.258 -1.260 1.00 32.41 H new ATOM 772 N GLN A 47 -8.983 -9.035 -0.181 1.00 62.54 N ATOM 773 CA GLN A 47 -10.252 -8.892 -0.918 1.00 23.13 C ATOM 774 C GLN A 47 -11.185 -7.850 -0.266 1.00 64.14 C ATOM 775 O GLN A 47 -11.972 -7.204 -0.964 1.00 61.03 O ATOM 776 CB GLN A 47 -10.954 -10.271 -1.056 1.00 74.50 C ATOM 777 CG GLN A 47 -10.180 -11.282 -1.935 1.00 53.43 C ATOM 778 CD GLN A 47 -9.985 -10.839 -3.391 1.00 64.51 C ATOM 779 OE1 GLN A 47 -8.966 -11.144 -4.010 1.00 0.23 O ATOM 780 NE2 GLN A 47 -10.967 -10.161 -3.970 1.00 51.22 N ATOM 0 H GLN A 47 -8.889 -9.924 0.310 1.00 62.54 H new ATOM 0 HA GLN A 47 -10.018 -8.522 -1.916 1.00 23.13 H new ATOM 0 HB2 GLN A 47 -11.092 -10.699 -0.063 1.00 74.50 H new ATOM 0 HB3 GLN A 47 -11.947 -10.122 -1.480 1.00 74.50 H new ATOM 0 HG2 GLN A 47 -9.202 -11.459 -1.488 1.00 53.43 H new ATOM 0 HG3 GLN A 47 -10.711 -12.234 -1.926 1.00 53.43 H new ATOM 0 HE21 GLN A 47 -11.803 -9.919 -3.438 1.00 51.22 H new ATOM 0 HE22 GLN A 47 -10.887 -9.882 -4.948 1.00 51.22 H new ATOM 789 N LYS A 48 -11.071 -7.675 1.066 1.00 3.44 N ATOM 790 CA LYS A 48 -11.848 -6.656 1.812 1.00 12.22 C ATOM 791 C LYS A 48 -11.419 -5.225 1.425 1.00 64.22 C ATOM 792 O LYS A 48 -12.256 -4.315 1.320 1.00 74.33 O ATOM 793 CB LYS A 48 -11.703 -6.877 3.345 1.00 42.52 C ATOM 794 CG LYS A 48 -12.363 -8.175 3.866 1.00 52.54 C ATOM 795 CD LYS A 48 -13.887 -8.230 3.603 1.00 45.31 C ATOM 796 CE LYS A 48 -14.657 -7.124 4.350 1.00 72.34 C ATOM 797 NZ LYS A 48 -16.090 -7.089 3.956 1.00 4.53 N ATOM 0 H LYS A 48 -10.446 -8.228 1.653 1.00 3.44 H new ATOM 0 HA LYS A 48 -12.897 -6.771 1.541 1.00 12.22 H new ATOM 0 HB2 LYS A 48 -10.643 -6.895 3.599 1.00 42.52 H new ATOM 0 HB3 LYS A 48 -12.141 -6.026 3.866 1.00 42.52 H new ATOM 0 HG2 LYS A 48 -11.887 -9.033 3.391 1.00 52.54 H new ATOM 0 HG3 LYS A 48 -12.182 -8.263 4.937 1.00 52.54 H new ATOM 0 HD2 LYS A 48 -14.071 -8.136 2.533 1.00 45.31 H new ATOM 0 HD3 LYS A 48 -14.270 -9.204 3.908 1.00 45.31 H new ATOM 0 HE2 LYS A 48 -14.579 -7.289 5.425 1.00 72.34 H new ATOM 0 HE3 LYS A 48 -14.199 -6.157 4.142 1.00 72.34 H new ATOM 0 HZ1 LYS A 48 -16.575 -6.333 4.479 1.00 4.53 H new ATOM 0 HZ2 LYS A 48 -16.165 -6.907 2.935 1.00 4.53 H new ATOM 0 HZ3 LYS A 48 -16.534 -8.003 4.178 1.00 4.53 H new ATOM 811 N LEU A 49 -10.107 -5.045 1.211 1.00 55.44 N ATOM 812 CA LEU A 49 -9.532 -3.757 0.794 1.00 54.51 C ATOM 813 C LEU A 49 -9.699 -3.528 -0.735 1.00 3.22 C ATOM 814 O LEU A 49 -9.847 -2.385 -1.173 1.00 52.43 O ATOM 815 CB LEU A 49 -8.046 -3.688 1.220 1.00 11.41 C ATOM 816 CG LEU A 49 -7.763 -3.687 2.753 1.00 74.02 C ATOM 817 CD1 LEU A 49 -6.256 -3.832 3.037 1.00 51.33 C ATOM 818 CD2 LEU A 49 -8.333 -2.420 3.419 1.00 63.44 C ATOM 0 H LEU A 49 -9.416 -5.787 1.322 1.00 55.44 H new ATOM 0 HA LEU A 49 -10.075 -2.954 1.293 1.00 54.51 H new ATOM 0 HB2 LEU A 49 -7.524 -4.536 0.777 1.00 11.41 H new ATOM 0 HB3 LEU A 49 -7.609 -2.786 0.792 1.00 11.41 H new ATOM 0 HG LEU A 49 -8.269 -4.549 3.188 1.00 74.02 H new ATOM 0 HD11 LEU A 49 -6.087 -3.828 4.114 1.00 51.33 H new ATOM 0 HD12 LEU A 49 -5.895 -4.770 2.616 1.00 51.33 H new ATOM 0 HD13 LEU A 49 -5.718 -3.000 2.582 1.00 51.33 H new ATOM 0 HD21 LEU A 49 -8.122 -2.445 4.488 1.00 63.44 H new ATOM 0 HD22 LEU A 49 -7.870 -1.537 2.978 1.00 63.44 H new ATOM 0 HD23 LEU A 49 -9.411 -2.381 3.263 1.00 63.44 H new ATOM 830 N LYS A 50 -9.691 -4.616 -1.546 1.00 4.51 N ATOM 831 CA LYS A 50 -9.960 -4.541 -3.010 1.00 35.51 C ATOM 832 C LYS A 50 -11.406 -4.107 -3.283 1.00 13.11 C ATOM 833 O LYS A 50 -11.671 -3.405 -4.261 1.00 33.03 O ATOM 834 CB LYS A 50 -9.692 -5.910 -3.702 1.00 54.41 C ATOM 835 CG LYS A 50 -8.201 -6.301 -3.791 1.00 44.43 C ATOM 836 CD LYS A 50 -7.987 -7.738 -4.326 1.00 41.22 C ATOM 837 CE LYS A 50 -8.559 -7.958 -5.737 1.00 43.11 C ATOM 838 NZ LYS A 50 -8.348 -9.355 -6.204 1.00 21.11 N ATOM 0 H LYS A 50 -9.501 -5.561 -1.212 1.00 4.51 H new ATOM 0 HA LYS A 50 -9.281 -3.796 -3.425 1.00 35.51 H new ATOM 0 HB2 LYS A 50 -10.227 -6.689 -3.158 1.00 54.41 H new ATOM 0 HB3 LYS A 50 -10.108 -5.881 -4.709 1.00 54.41 H new ATOM 0 HG2 LYS A 50 -7.684 -5.596 -4.441 1.00 44.43 H new ATOM 0 HG3 LYS A 50 -7.748 -6.215 -2.803 1.00 44.43 H new ATOM 0 HD2 LYS A 50 -6.920 -7.958 -4.337 1.00 41.22 H new ATOM 0 HD3 LYS A 50 -8.452 -8.446 -3.640 1.00 41.22 H new ATOM 0 HE2 LYS A 50 -9.625 -7.731 -5.737 1.00 43.11 H new ATOM 0 HE3 LYS A 50 -8.086 -7.266 -6.434 1.00 43.11 H new ATOM 0 HZ1 LYS A 50 -8.966 -9.546 -7.018 1.00 21.11 H new ATOM 0 HZ2 LYS A 50 -7.355 -9.480 -6.486 1.00 21.11 H new ATOM 0 HZ3 LYS A 50 -8.575 -10.016 -5.434 1.00 21.11 H new ATOM 852 N SER A 51 -12.326 -4.551 -2.412 1.00 44.53 N ATOM 853 CA SER A 51 -13.742 -4.145 -2.441 1.00 15.30 C ATOM 854 C SER A 51 -13.897 -2.615 -2.225 1.00 52.32 C ATOM 855 O SER A 51 -14.822 -1.997 -2.755 1.00 55.53 O ATOM 856 CB SER A 51 -14.518 -4.944 -1.367 1.00 62.51 C ATOM 857 OG SER A 51 -15.917 -4.735 -1.463 1.00 75.21 O ATOM 0 H SER A 51 -12.107 -5.207 -1.662 1.00 44.53 H new ATOM 0 HA SER A 51 -14.157 -4.368 -3.424 1.00 15.30 H new ATOM 0 HB2 SER A 51 -14.301 -6.006 -1.477 1.00 62.51 H new ATOM 0 HB3 SER A 51 -14.174 -4.649 -0.376 1.00 62.51 H new ATOM 0 HG SER A 51 -16.374 -5.256 -0.770 1.00 75.21 H new ATOM 863 N GLN A 52 -12.949 -2.021 -1.466 1.00 62.34 N ATOM 864 CA GLN A 52 -12.882 -0.560 -1.223 1.00 55.02 C ATOM 865 C GLN A 52 -12.111 0.180 -2.350 1.00 73.21 C ATOM 866 O GLN A 52 -11.908 1.390 -2.268 1.00 3.01 O ATOM 867 CB GLN A 52 -12.222 -0.297 0.153 1.00 4.21 C ATOM 868 CG GLN A 52 -12.988 -0.877 1.354 1.00 44.23 C ATOM 869 CD GLN A 52 -12.271 -0.629 2.680 1.00 24.03 C ATOM 870 OE1 GLN A 52 -11.433 -1.556 3.083 1.00 71.01 O flip ATOM 871 NE2 GLN A 52 -12.473 0.388 3.338 1.00 51.44 N flip ATOM 0 H GLN A 52 -12.205 -2.543 -1.002 1.00 62.34 H new ATOM 0 HA GLN A 52 -13.899 -0.167 -1.222 1.00 55.02 H new ATOM 0 HB2 GLN A 52 -11.216 -0.716 0.144 1.00 4.21 H new ATOM 0 HB3 GLN A 52 -12.118 0.779 0.291 1.00 4.21 H new ATOM 0 HG2 GLN A 52 -13.983 -0.434 1.394 1.00 44.23 H new ATOM 0 HG3 GLN A 52 -13.122 -1.949 1.212 1.00 44.23 H new ATOM 0 HE21 GLN A 52 -13.130 1.092 3.001 1.00 51.44 H new ATOM 0 HE22 GLN A 52 -11.984 0.529 4.222 1.00 51.44 H new ATOM 880 N GLY A 53 -11.685 -0.559 -3.391 1.00 53.14 N ATOM 881 CA GLY A 53 -11.056 0.032 -4.581 1.00 22.50 C ATOM 882 C GLY A 53 -9.571 0.323 -4.401 1.00 31.11 C ATOM 883 O GLY A 53 -9.081 1.382 -4.812 1.00 3.03 O ATOM 0 H GLY A 53 -11.767 -1.575 -3.429 1.00 53.14 H new ATOM 0 HA2 GLY A 53 -11.186 -0.645 -5.425 1.00 22.50 H new ATOM 0 HA3 GLY A 53 -11.572 0.958 -4.833 1.00 22.50 H new ATOM 887 N PHE A 54 -8.860 -0.612 -3.754 1.00 54.32 N ATOM 888 CA PHE A 54 -7.387 -0.552 -3.591 1.00 4.35 C ATOM 889 C PHE A 54 -6.736 -1.711 -4.355 1.00 43.41 C ATOM 890 O PHE A 54 -7.272 -2.824 -4.355 1.00 21.33 O ATOM 891 CB PHE A 54 -6.996 -0.636 -2.093 1.00 55.51 C ATOM 892 CG PHE A 54 -7.463 0.533 -1.238 1.00 25.43 C ATOM 893 CD1 PHE A 54 -6.753 1.730 -1.229 1.00 14.21 C ATOM 894 CD2 PHE A 54 -8.610 0.444 -0.444 1.00 52.43 C ATOM 895 CE1 PHE A 54 -7.171 2.787 -0.450 1.00 31.31 C ATOM 896 CE2 PHE A 54 -9.024 1.507 0.334 1.00 24.53 C ATOM 897 CZ PHE A 54 -8.310 2.677 0.324 1.00 53.34 C ATOM 0 H PHE A 54 -9.284 -1.435 -3.326 1.00 54.32 H new ATOM 0 HA PHE A 54 -7.034 0.398 -3.991 1.00 4.35 H new ATOM 0 HB2 PHE A 54 -7.406 -1.557 -1.677 1.00 55.51 H new ATOM 0 HB3 PHE A 54 -5.911 -0.709 -2.020 1.00 55.51 H new ATOM 0 HD1 PHE A 54 -5.867 1.831 -1.838 1.00 14.21 H new ATOM 0 HD2 PHE A 54 -9.182 -0.472 -0.439 1.00 52.43 H new ATOM 0 HE1 PHE A 54 -6.605 3.707 -0.445 1.00 31.31 H new ATOM 0 HE2 PHE A 54 -9.908 1.417 0.948 1.00 24.53 H new ATOM 0 HZ PHE A 54 -8.638 3.514 0.922 1.00 53.34 H new ATOM 907 N GLU A 55 -5.576 -1.446 -4.985 1.00 33.12 N ATOM 908 CA GLU A 55 -4.778 -2.470 -5.689 1.00 3.43 C ATOM 909 C GLU A 55 -3.985 -3.296 -4.644 1.00 4.33 C ATOM 910 O GLU A 55 -2.820 -3.012 -4.356 1.00 22.02 O ATOM 911 CB GLU A 55 -3.848 -1.780 -6.739 1.00 74.44 C ATOM 912 CG GLU A 55 -2.839 -2.700 -7.477 1.00 51.52 C ATOM 913 CD GLU A 55 -3.499 -3.828 -8.291 1.00 5.42 C ATOM 914 OE1 GLU A 55 -3.910 -3.579 -9.443 1.00 14.52 O ATOM 915 OE2 GLU A 55 -3.579 -4.972 -7.797 1.00 31.41 O ATOM 0 H GLU A 55 -5.164 -0.514 -5.021 1.00 33.12 H new ATOM 0 HA GLU A 55 -5.424 -3.157 -6.236 1.00 3.43 H new ATOM 0 HB2 GLU A 55 -4.477 -1.294 -7.485 1.00 74.44 H new ATOM 0 HB3 GLU A 55 -3.287 -0.993 -6.234 1.00 74.44 H new ATOM 0 HG2 GLU A 55 -2.230 -2.092 -8.146 1.00 51.52 H new ATOM 0 HG3 GLU A 55 -2.163 -3.142 -6.745 1.00 51.52 H new ATOM 922 N VAL A 56 -4.660 -4.290 -4.032 1.00 73.40 N ATOM 923 CA VAL A 56 -4.113 -5.055 -2.885 1.00 62.42 C ATOM 924 C VAL A 56 -3.571 -6.399 -3.356 1.00 24.12 C ATOM 925 O VAL A 56 -4.238 -7.111 -4.115 1.00 21.34 O ATOM 926 CB VAL A 56 -5.172 -5.289 -1.756 1.00 24.24 C ATOM 927 CG1 VAL A 56 -4.502 -5.739 -0.433 1.00 4.41 C ATOM 928 CG2 VAL A 56 -6.015 -4.030 -1.547 1.00 3.22 C ATOM 0 H VAL A 56 -5.594 -4.586 -4.314 1.00 73.40 H new ATOM 0 HA VAL A 56 -3.308 -4.453 -2.463 1.00 62.42 H new ATOM 0 HB VAL A 56 -5.832 -6.096 -2.074 1.00 24.24 H new ATOM 0 HG11 VAL A 56 -5.267 -5.892 0.328 1.00 4.41 H new ATOM 0 HG12 VAL A 56 -3.962 -6.671 -0.597 1.00 4.41 H new ATOM 0 HG13 VAL A 56 -3.805 -4.970 -0.098 1.00 4.41 H new ATOM 0 HG21 VAL A 56 -6.747 -4.209 -0.759 1.00 3.22 H new ATOM 0 HG22 VAL A 56 -5.367 -3.202 -1.260 1.00 3.22 H new ATOM 0 HG23 VAL A 56 -6.533 -3.781 -2.473 1.00 3.22 H new ATOM 938 N ARG A 57 -2.379 -6.754 -2.852 1.00 71.33 N ATOM 939 CA ARG A 57 -1.571 -7.863 -3.380 1.00 34.40 C ATOM 940 C ARG A 57 -1.035 -8.763 -2.269 1.00 4.34 C ATOM 941 O ARG A 57 -0.950 -8.362 -1.099 1.00 33.42 O ATOM 942 CB ARG A 57 -0.382 -7.286 -4.179 1.00 64.31 C ATOM 943 CG ARG A 57 -0.761 -6.444 -5.419 1.00 44.11 C ATOM 944 CD ARG A 57 -1.235 -7.281 -6.618 1.00 2.44 C ATOM 945 NE ARG A 57 -2.608 -7.778 -6.475 1.00 64.35 N ATOM 946 CZ ARG A 57 -3.333 -8.338 -7.452 1.00 43.10 C ATOM 947 NH1 ARG A 57 -2.821 -8.509 -8.673 1.00 43.50 N ATOM 948 NH2 ARG A 57 -4.578 -8.708 -7.204 1.00 71.21 N ATOM 0 H ARG A 57 -1.946 -6.276 -2.061 1.00 71.33 H new ATOM 0 HA ARG A 57 -2.213 -8.468 -4.020 1.00 34.40 H new ATOM 0 HB2 ARG A 57 0.217 -6.668 -3.510 1.00 64.31 H new ATOM 0 HB3 ARG A 57 0.252 -8.112 -4.502 1.00 64.31 H new ATOM 0 HG2 ARG A 57 -1.549 -5.743 -5.143 1.00 44.11 H new ATOM 0 HG3 ARG A 57 0.102 -5.851 -5.721 1.00 44.11 H new ATOM 0 HD2 ARG A 57 -1.168 -6.677 -7.523 1.00 2.44 H new ATOM 0 HD3 ARG A 57 -0.562 -8.128 -6.749 1.00 2.44 H new ATOM 0 HE ARG A 57 -3.046 -7.690 -5.558 1.00 64.35 H new ATOM 0 HH11 ARG A 57 -1.866 -8.212 -8.872 1.00 43.50 H new ATOM 0 HH12 ARG A 57 -3.385 -8.937 -9.407 1.00 43.50 H new ATOM 0 HH21 ARG A 57 -4.977 -8.566 -6.276 1.00 71.21 H new ATOM 0 HH22 ARG A 57 -5.139 -9.135 -7.941 1.00 71.21 H new ATOM 962 N LYS A 58 -0.645 -9.974 -2.690 1.00 34.23 N ATOM 963 CA LYS A 58 -0.023 -10.997 -1.852 1.00 21.33 C ATOM 964 C LYS A 58 1.502 -10.831 -1.955 1.00 75.25 C ATOM 965 O LYS A 58 2.057 -10.962 -3.053 1.00 21.35 O ATOM 966 CB LYS A 58 -0.454 -12.395 -2.390 1.00 10.55 C ATOM 967 CG LYS A 58 -0.040 -13.611 -1.527 1.00 62.44 C ATOM 968 CD LYS A 58 -0.844 -13.729 -0.222 1.00 51.05 C ATOM 969 CE LYS A 58 -2.356 -13.925 -0.444 1.00 45.23 C ATOM 970 NZ LYS A 58 -2.669 -15.204 -1.123 1.00 51.31 N ATOM 0 H LYS A 58 -0.760 -10.274 -3.658 1.00 34.23 H new ATOM 0 HA LYS A 58 -0.329 -10.903 -0.810 1.00 21.33 H new ATOM 0 HB2 LYS A 58 -1.539 -12.403 -2.496 1.00 10.55 H new ATOM 0 HB3 LYS A 58 -0.035 -12.523 -3.388 1.00 10.55 H new ATOM 0 HG2 LYS A 58 -0.170 -14.523 -2.110 1.00 62.44 H new ATOM 0 HG3 LYS A 58 1.020 -13.534 -1.287 1.00 62.44 H new ATOM 0 HD2 LYS A 58 -0.459 -14.568 0.358 1.00 51.05 H new ATOM 0 HD3 LYS A 58 -0.686 -12.830 0.374 1.00 51.05 H new ATOM 0 HE2 LYS A 58 -2.868 -13.893 0.518 1.00 45.23 H new ATOM 0 HE3 LYS A 58 -2.743 -13.098 -1.039 1.00 45.23 H new ATOM 0 HZ1 LYS A 58 -3.616 -15.148 -1.549 1.00 51.31 H new ATOM 0 HZ2 LYS A 58 -1.965 -15.383 -1.867 1.00 51.31 H new ATOM 0 HZ3 LYS A 58 -2.646 -15.980 -0.430 1.00 51.31 H new ATOM 984 N VAL A 59 2.164 -10.518 -0.837 1.00 52.52 N ATOM 985 CA VAL A 59 3.640 -10.392 -0.771 1.00 2.20 C ATOM 986 C VAL A 59 4.181 -11.223 0.405 1.00 51.15 C ATOM 987 O VAL A 59 3.414 -11.610 1.295 1.00 31.21 O ATOM 988 CB VAL A 59 4.107 -8.891 -0.634 1.00 62.55 C ATOM 989 CG1 VAL A 59 3.792 -8.084 -1.919 1.00 70.54 C ATOM 990 CG2 VAL A 59 3.495 -8.227 0.623 1.00 61.15 C ATOM 0 H VAL A 59 1.699 -10.343 0.054 1.00 52.52 H new ATOM 0 HA VAL A 59 4.044 -10.771 -1.709 1.00 2.20 H new ATOM 0 HB VAL A 59 5.190 -8.889 -0.508 1.00 62.55 H new ATOM 0 HG11 VAL A 59 4.126 -7.054 -1.793 1.00 70.54 H new ATOM 0 HG12 VAL A 59 4.311 -8.532 -2.766 1.00 70.54 H new ATOM 0 HG13 VAL A 59 2.718 -8.097 -2.103 1.00 70.54 H new ATOM 0 HG21 VAL A 59 3.835 -7.194 0.691 1.00 61.15 H new ATOM 0 HG22 VAL A 59 2.407 -8.247 0.552 1.00 61.15 H new ATOM 0 HG23 VAL A 59 3.811 -8.772 1.513 1.00 61.15 H new ATOM 1000 N LYS A 60 5.499 -11.497 0.385 1.00 72.05 N ATOM 1001 CA LYS A 60 6.182 -12.269 1.444 1.00 51.15 C ATOM 1002 C LYS A 60 6.613 -11.332 2.576 1.00 1.33 C ATOM 1003 O LYS A 60 6.093 -11.400 3.700 1.00 42.00 O ATOM 1004 CB LYS A 60 7.431 -13.016 0.875 1.00 33.33 C ATOM 1005 CG LYS A 60 7.161 -13.897 -0.356 1.00 63.11 C ATOM 1006 CD LYS A 60 6.084 -14.979 -0.114 1.00 21.03 C ATOM 1007 CE LYS A 60 5.909 -15.906 -1.327 1.00 25.30 C ATOM 1008 NZ LYS A 60 5.660 -15.137 -2.574 1.00 34.31 N ATOM 0 H LYS A 60 6.121 -11.191 -0.364 1.00 72.05 H new ATOM 0 HA LYS A 60 5.483 -13.011 1.830 1.00 51.15 H new ATOM 0 HB2 LYS A 60 8.189 -12.277 0.614 1.00 33.33 H new ATOM 0 HB3 LYS A 60 7.852 -13.640 1.663 1.00 33.33 H new ATOM 0 HG2 LYS A 60 6.848 -13.263 -1.185 1.00 63.11 H new ATOM 0 HG3 LYS A 60 8.090 -14.381 -0.658 1.00 63.11 H new ATOM 0 HD2 LYS A 60 6.358 -15.573 0.758 1.00 21.03 H new ATOM 0 HD3 LYS A 60 5.133 -14.498 0.114 1.00 21.03 H new ATOM 0 HE2 LYS A 60 6.802 -16.518 -1.449 1.00 25.30 H new ATOM 0 HE3 LYS A 60 5.078 -16.588 -1.147 1.00 25.30 H new ATOM 0 HZ1 LYS A 60 5.364 -15.787 -3.330 1.00 34.31 H new ATOM 0 HZ2 LYS A 60 4.910 -14.437 -2.406 1.00 34.31 H new ATOM 0 HZ3 LYS A 60 6.532 -14.648 -2.860 1.00 34.31 H new ATOM 1022 N ASP A 61 7.547 -10.446 2.229 1.00 52.10 N ATOM 1023 CA ASP A 61 8.201 -9.519 3.165 1.00 62.43 C ATOM 1024 C ASP A 61 8.711 -8.312 2.365 1.00 11.13 C ATOM 1025 O ASP A 61 8.445 -8.226 1.162 1.00 1.30 O ATOM 1026 CB ASP A 61 9.365 -10.237 3.915 1.00 22.14 C ATOM 1027 CG ASP A 61 10.615 -10.446 3.034 1.00 14.40 C ATOM 1028 OD1 ASP A 61 10.521 -11.165 2.012 1.00 3.35 O ATOM 1029 OD2 ASP A 61 11.678 -9.864 3.342 1.00 61.24 O ATOM 0 H ASP A 61 7.880 -10.347 1.270 1.00 52.10 H new ATOM 0 HA ASP A 61 7.493 -9.179 3.921 1.00 62.43 H new ATOM 0 HB2 ASP A 61 9.640 -9.651 4.792 1.00 22.14 H new ATOM 0 HB3 ASP A 61 9.015 -11.205 4.275 1.00 22.14 H new ATOM 1034 N ASP A 62 9.517 -7.447 3.008 1.00 73.12 N ATOM 1035 CA ASP A 62 9.977 -6.172 2.418 1.00 2.34 C ATOM 1036 C ASP A 62 10.992 -6.399 1.261 1.00 1.54 C ATOM 1037 O ASP A 62 11.201 -5.508 0.430 1.00 24.33 O ATOM 1038 CB ASP A 62 10.561 -5.251 3.514 1.00 52.25 C ATOM 1039 CG ASP A 62 11.050 -3.896 2.967 1.00 74.14 C ATOM 1040 OD1 ASP A 62 10.207 -3.077 2.532 1.00 43.31 O ATOM 1041 OD2 ASP A 62 12.276 -3.639 2.968 1.00 2.34 O ATOM 0 H ASP A 62 9.869 -7.611 3.951 1.00 73.12 H new ATOM 0 HA ASP A 62 9.112 -5.675 1.979 1.00 2.34 H new ATOM 0 HB2 ASP A 62 9.801 -5.076 4.276 1.00 52.25 H new ATOM 0 HB3 ASP A 62 11.392 -5.760 4.003 1.00 52.25 H new ATOM 1046 N ASP A 63 11.594 -7.606 1.204 1.00 63.03 N ATOM 1047 CA ASP A 63 12.481 -8.007 0.092 1.00 74.11 C ATOM 1048 C ASP A 63 11.649 -8.305 -1.173 1.00 15.21 C ATOM 1049 O ASP A 63 11.995 -7.850 -2.260 1.00 74.43 O ATOM 1050 CB ASP A 63 13.355 -9.236 0.458 1.00 10.45 C ATOM 1051 CG ASP A 63 14.374 -9.566 -0.656 1.00 13.13 C ATOM 1052 OD1 ASP A 63 15.447 -8.934 -0.700 1.00 31.04 O ATOM 1053 OD2 ASP A 63 14.104 -10.427 -1.518 1.00 1.51 O ATOM 0 H ASP A 63 11.480 -8.323 1.920 1.00 63.03 H new ATOM 0 HA ASP A 63 13.154 -7.173 -0.105 1.00 74.11 H new ATOM 0 HB2 ASP A 63 13.885 -9.040 1.390 1.00 10.45 H new ATOM 0 HB3 ASP A 63 12.713 -10.100 0.632 1.00 10.45 H new ATOM 1058 N ASP A 64 10.547 -9.068 -1.012 1.00 54.21 N ATOM 1059 CA ASP A 64 9.588 -9.346 -2.114 1.00 44.54 C ATOM 1060 C ASP A 64 8.892 -8.041 -2.571 1.00 45.33 C ATOM 1061 O ASP A 64 8.613 -7.843 -3.752 1.00 61.35 O ATOM 1062 CB ASP A 64 8.524 -10.377 -1.656 1.00 1.21 C ATOM 1063 CG ASP A 64 7.624 -10.856 -2.811 1.00 70.00 C ATOM 1064 OD1 ASP A 64 8.150 -11.476 -3.761 1.00 25.21 O ATOM 1065 OD2 ASP A 64 6.396 -10.641 -2.765 1.00 11.31 O ATOM 0 H ASP A 64 10.294 -9.507 -0.126 1.00 54.21 H new ATOM 0 HA ASP A 64 10.145 -9.760 -2.955 1.00 44.54 H new ATOM 0 HB2 ASP A 64 9.025 -11.237 -1.211 1.00 1.21 H new ATOM 0 HB3 ASP A 64 7.904 -9.932 -0.878 1.00 1.21 H new ATOM 1070 N ILE A 65 8.664 -7.168 -1.580 1.00 13.33 N ATOM 1071 CA ILE A 65 8.107 -5.810 -1.758 1.00 22.25 C ATOM 1072 C ILE A 65 9.109 -4.920 -2.534 1.00 1.40 C ATOM 1073 O ILE A 65 8.714 -4.134 -3.385 1.00 13.44 O ATOM 1074 CB ILE A 65 7.726 -5.198 -0.347 1.00 1.32 C ATOM 1075 CG1 ILE A 65 6.494 -5.965 0.251 1.00 23.25 C ATOM 1076 CG2 ILE A 65 7.486 -3.668 -0.388 1.00 51.14 C ATOM 1077 CD1 ILE A 65 6.193 -5.675 1.711 1.00 40.13 C ATOM 0 H ILE A 65 8.866 -7.388 -0.605 1.00 13.33 H new ATOM 0 HA ILE A 65 7.194 -5.859 -2.352 1.00 22.25 H new ATOM 0 HB ILE A 65 8.584 -5.336 0.311 1.00 1.32 H new ATOM 0 HG12 ILE A 65 5.612 -5.719 -0.340 1.00 23.25 H new ATOM 0 HG13 ILE A 65 6.664 -7.036 0.138 1.00 23.25 H new ATOM 0 HG21 ILE A 65 7.229 -3.313 0.610 1.00 51.14 H new ATOM 0 HG22 ILE A 65 8.392 -3.167 -0.729 1.00 51.14 H new ATOM 0 HG23 ILE A 65 6.668 -3.446 -1.074 1.00 51.14 H new ATOM 0 HD11 ILE A 65 5.325 -6.254 2.026 1.00 40.13 H new ATOM 0 HD12 ILE A 65 7.053 -5.950 2.321 1.00 40.13 H new ATOM 0 HD13 ILE A 65 5.985 -4.612 1.835 1.00 40.13 H new ATOM 1089 N ASP A 66 10.412 -5.093 -2.260 1.00 21.01 N ATOM 1090 CA ASP A 66 11.503 -4.418 -2.998 1.00 63.35 C ATOM 1091 C ASP A 66 11.473 -4.777 -4.503 1.00 42.43 C ATOM 1092 O ASP A 66 11.538 -3.891 -5.358 1.00 42.43 O ATOM 1093 CB ASP A 66 12.873 -4.781 -2.355 1.00 24.11 C ATOM 1094 CG ASP A 66 14.096 -4.384 -3.204 1.00 35.15 C ATOM 1095 OD1 ASP A 66 14.393 -3.176 -3.320 1.00 4.34 O ATOM 1096 OD2 ASP A 66 14.775 -5.285 -3.745 1.00 42.12 O ATOM 0 H ASP A 66 10.745 -5.708 -1.517 1.00 21.01 H new ATOM 0 HA ASP A 66 11.358 -3.340 -2.927 1.00 63.35 H new ATOM 0 HB2 ASP A 66 12.946 -4.293 -1.383 1.00 24.11 H new ATOM 0 HB3 ASP A 66 12.903 -5.856 -2.175 1.00 24.11 H new ATOM 1101 N LYS A 67 11.331 -6.079 -4.801 1.00 74.44 N ATOM 1102 CA LYS A 67 11.216 -6.581 -6.191 1.00 21.12 C ATOM 1103 C LYS A 67 9.886 -6.113 -6.819 1.00 54.22 C ATOM 1104 O LYS A 67 9.809 -5.872 -8.033 1.00 52.23 O ATOM 1105 CB LYS A 67 11.320 -8.142 -6.240 1.00 24.34 C ATOM 1106 CG LYS A 67 12.760 -8.722 -6.188 1.00 4.34 C ATOM 1107 CD LYS A 67 13.527 -8.341 -4.904 1.00 51.40 C ATOM 1108 CE LYS A 67 14.942 -8.924 -4.836 1.00 75.43 C ATOM 1109 NZ LYS A 67 15.667 -8.427 -3.635 1.00 23.11 N ATOM 0 H LYS A 67 11.292 -6.813 -4.094 1.00 74.44 H new ATOM 0 HA LYS A 67 12.045 -6.171 -6.768 1.00 21.12 H new ATOM 0 HB2 LYS A 67 10.752 -8.552 -5.405 1.00 24.34 H new ATOM 0 HB3 LYS A 67 10.840 -8.491 -7.154 1.00 24.34 H new ATOM 0 HG2 LYS A 67 12.709 -9.808 -6.264 1.00 4.34 H new ATOM 0 HG3 LYS A 67 13.318 -8.368 -7.055 1.00 4.34 H new ATOM 0 HD2 LYS A 67 13.588 -7.255 -4.836 1.00 51.40 H new ATOM 0 HD3 LYS A 67 12.961 -8.683 -4.038 1.00 51.40 H new ATOM 0 HE2 LYS A 67 14.890 -10.012 -4.809 1.00 75.43 H new ATOM 0 HE3 LYS A 67 15.494 -8.654 -5.736 1.00 75.43 H new ATOM 0 HZ1 LYS A 67 16.647 -8.193 -3.893 1.00 23.11 H new ATOM 0 HZ2 LYS A 67 15.192 -7.577 -3.270 1.00 23.11 H new ATOM 0 HZ3 LYS A 67 15.669 -9.164 -2.901 1.00 23.11 H new ATOM 1123 N TRP A 68 8.855 -5.986 -5.961 1.00 44.42 N ATOM 1124 CA TRP A 68 7.503 -5.603 -6.372 1.00 53.22 C ATOM 1125 C TRP A 68 7.473 -4.136 -6.860 1.00 1.33 C ATOM 1126 O TRP A 68 6.833 -3.829 -7.859 1.00 31.04 O ATOM 1127 CB TRP A 68 6.488 -5.822 -5.203 1.00 72.42 C ATOM 1128 CG TRP A 68 5.069 -5.987 -5.679 1.00 33.51 C ATOM 1129 CD1 TRP A 68 4.422 -7.167 -5.894 1.00 52.34 C ATOM 1130 CD2 TRP A 68 4.146 -4.949 -6.029 1.00 23.53 C ATOM 1131 NE1 TRP A 68 3.167 -6.923 -6.382 1.00 22.13 N ATOM 1132 CE2 TRP A 68 2.975 -5.570 -6.475 1.00 43.15 C ATOM 1133 CE3 TRP A 68 4.203 -3.552 -6.018 1.00 23.20 C ATOM 1134 CZ2 TRP A 68 1.873 -4.847 -6.906 1.00 3.22 C ATOM 1135 CZ3 TRP A 68 3.105 -2.837 -6.437 1.00 21.54 C ATOM 1136 CH2 TRP A 68 1.952 -3.489 -6.882 1.00 32.33 C ATOM 0 H TRP A 68 8.944 -6.149 -4.958 1.00 44.42 H new ATOM 0 HA TRP A 68 7.206 -6.241 -7.204 1.00 53.22 H new ATOM 0 HB2 TRP A 68 6.780 -6.706 -4.636 1.00 72.42 H new ATOM 0 HB3 TRP A 68 6.540 -4.974 -4.520 1.00 72.42 H new ATOM 0 HD1 TRP A 68 4.837 -8.147 -5.707 1.00 52.34 H new ATOM 0 HE1 TRP A 68 2.483 -7.636 -6.636 1.00 22.13 H new ATOM 0 HE3 TRP A 68 5.095 -3.042 -5.686 1.00 23.20 H new ATOM 0 HZ2 TRP A 68 0.979 -5.347 -7.250 1.00 3.22 H new ATOM 0 HZ3 TRP A 68 3.135 -1.758 -6.422 1.00 21.54 H new ATOM 0 HH2 TRP A 68 1.107 -2.904 -7.213 1.00 32.33 H new ATOM 1147 N ILE A 69 8.158 -3.235 -6.140 1.00 15.05 N ATOM 1148 CA ILE A 69 8.231 -1.801 -6.504 1.00 23.34 C ATOM 1149 C ILE A 69 9.201 -1.601 -7.688 1.00 55.15 C ATOM 1150 O ILE A 69 8.978 -0.727 -8.542 1.00 44.22 O ATOM 1151 CB ILE A 69 8.630 -0.909 -5.243 1.00 50.04 C ATOM 1152 CG1 ILE A 69 7.376 -0.627 -4.344 1.00 15.51 C ATOM 1153 CG2 ILE A 69 9.322 0.431 -5.638 1.00 50.45 C ATOM 1154 CD1 ILE A 69 6.739 -1.831 -3.683 1.00 63.12 C ATOM 0 H ILE A 69 8.676 -3.472 -5.294 1.00 15.05 H new ATOM 0 HA ILE A 69 7.244 -1.468 -6.824 1.00 23.34 H new ATOM 0 HB ILE A 69 9.360 -1.487 -4.676 1.00 50.04 H new ATOM 0 HG12 ILE A 69 7.666 0.078 -3.565 1.00 15.51 H new ATOM 0 HG13 ILE A 69 6.621 -0.133 -4.956 1.00 15.51 H new ATOM 0 HG21 ILE A 69 9.569 0.992 -4.737 1.00 50.45 H new ATOM 0 HG22 ILE A 69 10.235 0.219 -6.195 1.00 50.45 H new ATOM 0 HG23 ILE A 69 8.647 1.020 -6.259 1.00 50.45 H new ATOM 0 HD11 ILE A 69 5.883 -1.510 -3.089 1.00 63.12 H new ATOM 0 HD12 ILE A 69 6.407 -2.533 -4.448 1.00 63.12 H new ATOM 0 HD13 ILE A 69 7.468 -2.318 -3.035 1.00 63.12 H new ATOM 1166 N ASP A 70 10.252 -2.449 -7.734 1.00 22.02 N ATOM 1167 CA ASP A 70 11.266 -2.435 -8.800 1.00 11.10 C ATOM 1168 C ASP A 70 10.618 -2.591 -10.189 1.00 52.30 C ATOM 1169 O ASP A 70 10.802 -1.734 -11.061 1.00 50.22 O ATOM 1170 CB ASP A 70 12.316 -3.555 -8.559 1.00 44.04 C ATOM 1171 CG ASP A 70 13.299 -3.723 -9.736 1.00 64.24 C ATOM 1172 OD1 ASP A 70 14.177 -2.851 -9.926 1.00 34.43 O ATOM 1173 OD2 ASP A 70 13.199 -4.726 -10.474 1.00 53.51 O ATOM 0 H ASP A 70 10.417 -3.165 -7.026 1.00 22.02 H new ATOM 0 HA ASP A 70 11.770 -1.469 -8.774 1.00 11.10 H new ATOM 0 HB2 ASP A 70 12.878 -3.330 -7.653 1.00 44.04 H new ATOM 0 HB3 ASP A 70 11.799 -4.499 -8.387 1.00 44.04 H new ATOM 1178 N LYS A 71 9.805 -3.660 -10.351 1.00 71.43 N ATOM 1179 CA LYS A 71 9.124 -3.961 -11.629 1.00 15.31 C ATOM 1180 C LYS A 71 8.159 -2.828 -12.036 1.00 44.12 C ATOM 1181 O LYS A 71 8.063 -2.501 -13.218 1.00 72.24 O ATOM 1182 CB LYS A 71 8.344 -5.306 -11.569 1.00 44.43 C ATOM 1183 CG LYS A 71 7.316 -5.403 -10.409 1.00 32.41 C ATOM 1184 CD LYS A 71 6.060 -6.242 -10.734 1.00 14.42 C ATOM 1185 CE LYS A 71 5.140 -5.551 -11.758 1.00 44.41 C ATOM 1186 NZ LYS A 71 3.928 -6.363 -12.054 1.00 63.22 N ATOM 0 H LYS A 71 9.605 -4.330 -9.609 1.00 71.43 H new ATOM 0 HA LYS A 71 9.908 -4.047 -12.381 1.00 15.31 H new ATOM 0 HB2 LYS A 71 7.821 -5.451 -12.514 1.00 44.43 H new ATOM 0 HB3 LYS A 71 9.060 -6.122 -11.473 1.00 44.43 H new ATOM 0 HG2 LYS A 71 7.810 -5.834 -9.538 1.00 32.41 H new ATOM 0 HG3 LYS A 71 7.003 -4.396 -10.133 1.00 32.41 H new ATOM 0 HD2 LYS A 71 6.366 -7.213 -11.122 1.00 14.42 H new ATOM 0 HD3 LYS A 71 5.503 -6.427 -9.816 1.00 14.42 H new ATOM 0 HE2 LYS A 71 4.839 -4.576 -11.375 1.00 44.41 H new ATOM 0 HE3 LYS A 71 5.693 -5.374 -12.681 1.00 44.41 H new ATOM 0 HZ1 LYS A 71 3.336 -5.863 -12.747 1.00 63.22 H new ATOM 0 HZ2 LYS A 71 4.214 -7.284 -12.443 1.00 63.22 H new ATOM 0 HZ3 LYS A 71 3.387 -6.510 -11.178 1.00 63.22 H new ATOM 1200 N ILE A 72 7.468 -2.227 -11.035 1.00 5.25 N ATOM 1201 CA ILE A 72 6.514 -1.118 -11.248 1.00 4.35 C ATOM 1202 C ILE A 72 7.228 0.101 -11.853 1.00 32.34 C ATOM 1203 O ILE A 72 6.748 0.690 -12.808 1.00 13.11 O ATOM 1204 CB ILE A 72 5.793 -0.713 -9.898 1.00 71.40 C ATOM 1205 CG1 ILE A 72 4.866 -1.861 -9.388 1.00 71.15 C ATOM 1206 CG2 ILE A 72 5.001 0.614 -10.016 1.00 53.31 C ATOM 1207 CD1 ILE A 72 3.658 -2.173 -10.265 1.00 70.41 C ATOM 0 H ILE A 72 7.559 -2.501 -10.057 1.00 5.25 H new ATOM 0 HA ILE A 72 5.754 -1.465 -11.948 1.00 4.35 H new ATOM 0 HB ILE A 72 6.583 -0.549 -9.165 1.00 71.40 H new ATOM 0 HG12 ILE A 72 5.463 -2.768 -9.287 1.00 71.15 H new ATOM 0 HG13 ILE A 72 4.511 -1.601 -8.391 1.00 71.15 H new ATOM 0 HG21 ILE A 72 4.528 0.842 -9.061 1.00 53.31 H new ATOM 0 HG22 ILE A 72 5.682 1.421 -10.285 1.00 53.31 H new ATOM 0 HG23 ILE A 72 4.235 0.514 -10.785 1.00 53.31 H new ATOM 0 HD11 ILE A 72 3.084 -2.985 -9.818 1.00 70.41 H new ATOM 0 HD12 ILE A 72 3.029 -1.286 -10.347 1.00 70.41 H new ATOM 0 HD13 ILE A 72 3.996 -2.471 -11.257 1.00 70.41 H new ATOM 1219 N LYS A 73 8.397 0.444 -11.302 1.00 15.04 N ATOM 1220 CA LYS A 73 9.191 1.594 -11.758 1.00 72.20 C ATOM 1221 C LYS A 73 9.711 1.407 -13.202 1.00 3.04 C ATOM 1222 O LYS A 73 9.793 2.376 -13.967 1.00 13.31 O ATOM 1223 CB LYS A 73 10.358 1.853 -10.760 1.00 40.32 C ATOM 1224 CG LYS A 73 9.947 2.497 -9.398 1.00 43.04 C ATOM 1225 CD LYS A 73 9.904 4.055 -9.410 1.00 62.12 C ATOM 1226 CE LYS A 73 8.834 4.669 -10.332 1.00 64.33 C ATOM 1227 NZ LYS A 73 8.853 6.160 -10.302 1.00 2.34 N ATOM 0 H LYS A 73 8.821 -0.067 -10.527 1.00 15.04 H new ATOM 0 HA LYS A 73 8.543 2.470 -11.778 1.00 72.20 H new ATOM 0 HB2 LYS A 73 10.857 0.905 -10.558 1.00 40.32 H new ATOM 0 HB3 LYS A 73 11.089 2.502 -11.243 1.00 40.32 H new ATOM 0 HG2 LYS A 73 8.964 2.121 -9.114 1.00 43.04 H new ATOM 0 HG3 LYS A 73 10.648 2.171 -8.629 1.00 43.04 H new ATOM 0 HD2 LYS A 73 9.731 4.407 -8.393 1.00 62.12 H new ATOM 0 HD3 LYS A 73 10.882 4.428 -9.714 1.00 62.12 H new ATOM 0 HE2 LYS A 73 8.997 4.326 -11.354 1.00 64.33 H new ATOM 0 HE3 LYS A 73 7.849 4.314 -10.030 1.00 64.33 H new ATOM 0 HZ1 LYS A 73 7.920 6.525 -10.580 1.00 2.34 H new ATOM 0 HZ2 LYS A 73 9.079 6.485 -9.340 1.00 2.34 H new ATOM 0 HZ3 LYS A 73 9.573 6.511 -10.965 1.00 2.34 H new ATOM 1241 N LYS A 74 10.027 0.156 -13.565 1.00 31.43 N ATOM 1242 CA LYS A 74 10.560 -0.197 -14.897 1.00 12.44 C ATOM 1243 C LYS A 74 9.447 -0.197 -15.972 1.00 12.00 C ATOM 1244 O LYS A 74 9.646 0.292 -17.086 1.00 55.33 O ATOM 1245 CB LYS A 74 11.227 -1.596 -14.809 1.00 43.30 C ATOM 1246 CG LYS A 74 12.413 -1.654 -13.820 1.00 35.14 C ATOM 1247 CD LYS A 74 12.872 -3.096 -13.482 1.00 75.10 C ATOM 1248 CE LYS A 74 13.382 -3.887 -14.693 1.00 75.12 C ATOM 1249 NZ LYS A 74 13.794 -5.267 -14.308 1.00 63.22 N ATOM 0 H LYS A 74 9.921 -0.646 -12.944 1.00 31.43 H new ATOM 0 HA LYS A 74 11.295 0.551 -15.195 1.00 12.44 H new ATOM 0 HB2 LYS A 74 10.478 -2.328 -14.508 1.00 43.30 H new ATOM 0 HB3 LYS A 74 11.576 -1.886 -15.800 1.00 43.30 H new ATOM 0 HG2 LYS A 74 13.254 -1.104 -14.242 1.00 35.14 H new ATOM 0 HG3 LYS A 74 12.131 -1.146 -12.898 1.00 35.14 H new ATOM 0 HD2 LYS A 74 13.662 -3.049 -12.733 1.00 75.10 H new ATOM 0 HD3 LYS A 74 12.038 -3.636 -13.033 1.00 75.10 H new ATOM 0 HE2 LYS A 74 12.601 -3.937 -15.452 1.00 75.12 H new ATOM 0 HE3 LYS A 74 14.228 -3.365 -15.140 1.00 75.12 H new ATOM 0 HZ1 LYS A 74 14.134 -5.775 -15.149 1.00 63.22 H new ATOM 0 HZ2 LYS A 74 14.556 -5.218 -13.602 1.00 63.22 H new ATOM 0 HZ3 LYS A 74 12.980 -5.772 -13.904 1.00 63.22 H new ATOM 1263 N GLU A 75 8.285 -0.751 -15.608 1.00 73.22 N ATOM 1264 CA GLU A 75 7.142 -0.949 -16.527 1.00 14.51 C ATOM 1265 C GLU A 75 6.339 0.347 -16.702 1.00 63.32 C ATOM 1266 O GLU A 75 5.996 0.739 -17.828 1.00 31.41 O ATOM 1267 CB GLU A 75 6.239 -2.086 -15.985 1.00 23.45 C ATOM 1268 CG GLU A 75 6.903 -3.480 -16.037 1.00 52.21 C ATOM 1269 CD GLU A 75 6.043 -4.613 -15.449 1.00 5.04 C ATOM 1270 OE1 GLU A 75 4.823 -4.663 -15.717 1.00 40.22 O ATOM 1271 OE2 GLU A 75 6.588 -5.472 -14.730 1.00 32.20 O ATOM 0 H GLU A 75 8.103 -1.080 -14.660 1.00 73.22 H new ATOM 0 HA GLU A 75 7.524 -1.229 -17.509 1.00 14.51 H new ATOM 0 HB2 GLU A 75 5.965 -1.861 -14.954 1.00 23.45 H new ATOM 0 HB3 GLU A 75 5.315 -2.111 -16.562 1.00 23.45 H new ATOM 0 HG2 GLU A 75 7.138 -3.719 -17.074 1.00 52.21 H new ATOM 0 HG3 GLU A 75 7.849 -3.440 -15.497 1.00 52.21 H new ATOM 1278 N ARG A 76 6.045 1.006 -15.577 1.00 2.13 N ATOM 1279 CA ARG A 76 5.291 2.264 -15.548 1.00 72.50 C ATOM 1280 C ARG A 76 6.110 3.350 -14.815 1.00 63.34 C ATOM 1281 O ARG A 76 6.089 3.446 -13.581 1.00 65.22 O ATOM 1282 CB ARG A 76 3.865 2.040 -14.941 1.00 43.23 C ATOM 1283 CG ARG A 76 3.807 1.295 -13.586 1.00 32.00 C ATOM 1284 CD ARG A 76 2.370 0.997 -13.132 1.00 42.31 C ATOM 1285 NE ARG A 76 1.650 0.185 -14.129 1.00 50.12 N ATOM 1286 CZ ARG A 76 0.446 -0.376 -13.957 1.00 71.13 C ATOM 1287 NH1 ARG A 76 -0.229 -0.223 -12.825 1.00 12.32 N ATOM 1288 NH2 ARG A 76 -0.093 -1.072 -14.948 1.00 11.01 N ATOM 0 H ARG A 76 6.326 0.679 -14.653 1.00 2.13 H new ATOM 0 HA ARG A 76 5.130 2.623 -16.564 1.00 72.50 H new ATOM 0 HB2 ARG A 76 3.389 3.013 -14.817 1.00 43.23 H new ATOM 0 HB3 ARG A 76 3.269 1.483 -15.664 1.00 43.23 H new ATOM 0 HG2 ARG A 76 4.359 0.359 -13.667 1.00 32.00 H new ATOM 0 HG3 ARG A 76 4.307 1.895 -12.825 1.00 32.00 H new ATOM 0 HD2 ARG A 76 2.390 0.471 -12.178 1.00 42.31 H new ATOM 0 HD3 ARG A 76 1.836 1.933 -12.969 1.00 42.31 H new ATOM 0 HE ARG A 76 2.108 0.037 -15.028 1.00 50.12 H new ATOM 0 HH11 ARG A 76 0.168 0.330 -12.065 1.00 12.32 H new ATOM 0 HH12 ARG A 76 -1.145 -0.659 -12.714 1.00 12.32 H new ATOM 0 HH21 ARG A 76 0.409 -1.176 -15.830 1.00 11.01 H new ATOM 0 HH22 ARG A 76 -1.009 -1.504 -14.829 1.00 11.01 H new ATOM 1302 N PRO A 77 6.919 4.155 -15.584 1.00 31.33 N ATOM 1303 CA PRO A 77 7.566 5.369 -15.057 1.00 5.12 C ATOM 1304 C PRO A 77 6.560 6.548 -15.020 1.00 14.31 C ATOM 1305 O PRO A 77 5.340 6.334 -15.169 1.00 31.31 O ATOM 1306 CB PRO A 77 8.718 5.600 -16.066 1.00 53.41 C ATOM 1307 CG PRO A 77 8.178 5.104 -17.371 1.00 22.00 C ATOM 1308 CD PRO A 77 7.273 3.929 -17.021 1.00 53.43 C ATOM 0 HA PRO A 77 7.924 5.280 -14.031 1.00 5.12 H new ATOM 0 HB2 PRO A 77 8.990 6.654 -16.124 1.00 53.41 H new ATOM 0 HB3 PRO A 77 9.616 5.055 -15.775 1.00 53.41 H new ATOM 0 HG2 PRO A 77 7.622 5.886 -17.888 1.00 22.00 H new ATOM 0 HG3 PRO A 77 8.984 4.793 -18.036 1.00 22.00 H new ATOM 0 HD2 PRO A 77 6.384 3.909 -17.652 1.00 53.43 H new ATOM 0 HD3 PRO A 77 7.785 2.977 -17.160 1.00 53.43 H new ATOM 1316 N GLN A 78 7.078 7.779 -14.794 1.00 1.11 N ATOM 1317 CA GLN A 78 6.292 9.048 -14.733 1.00 61.34 C ATOM 1318 C GLN A 78 5.447 9.178 -13.437 1.00 43.32 C ATOM 1319 O GLN A 78 5.113 10.295 -13.024 1.00 12.13 O ATOM 1320 CB GLN A 78 5.401 9.248 -15.994 1.00 74.43 C ATOM 1321 CG GLN A 78 6.166 9.149 -17.331 1.00 51.43 C ATOM 1322 CD GLN A 78 5.245 9.246 -18.543 1.00 31.23 C ATOM 1323 OE1 GLN A 78 4.710 8.243 -19.017 1.00 63.25 O ATOM 1324 NE2 GLN A 78 5.055 10.453 -19.041 1.00 75.33 N ATOM 0 H GLN A 78 8.076 7.927 -14.645 1.00 1.11 H new ATOM 0 HA GLN A 78 7.033 9.847 -14.713 1.00 61.34 H new ATOM 0 HB2 GLN A 78 4.607 8.501 -15.986 1.00 74.43 H new ATOM 0 HB3 GLN A 78 4.921 10.225 -15.935 1.00 74.43 H new ATOM 0 HG2 GLN A 78 6.909 9.945 -17.380 1.00 51.43 H new ATOM 0 HG3 GLN A 78 6.708 8.204 -17.366 1.00 51.43 H new ATOM 0 HE21 GLN A 78 5.517 11.258 -18.618 1.00 75.33 H new ATOM 0 HE22 GLN A 78 4.446 10.581 -19.849 1.00 75.33 H new ATOM 1333 N LEU A 79 5.107 8.041 -12.803 1.00 13.11 N ATOM 1334 CA LEU A 79 4.393 8.001 -11.526 1.00 11.32 C ATOM 1335 C LEU A 79 5.392 7.612 -10.434 1.00 51.42 C ATOM 1336 O LEU A 79 6.183 6.685 -10.624 1.00 43.52 O ATOM 1337 CB LEU A 79 3.156 7.030 -11.608 1.00 73.41 C ATOM 1338 CG LEU A 79 3.355 5.583 -12.225 1.00 44.10 C ATOM 1339 CD1 LEU A 79 3.941 4.557 -11.220 1.00 3.34 C ATOM 1340 CD2 LEU A 79 2.033 5.049 -12.840 1.00 31.31 C ATOM 0 H LEU A 79 5.326 7.116 -13.173 1.00 13.11 H new ATOM 0 HA LEU A 79 3.981 8.980 -11.281 1.00 11.32 H new ATOM 0 HB2 LEU A 79 2.767 6.906 -10.597 1.00 73.41 H new ATOM 0 HB3 LEU A 79 2.382 7.532 -12.188 1.00 73.41 H new ATOM 0 HG LEU A 79 4.095 5.698 -13.017 1.00 44.10 H new ATOM 0 HD11 LEU A 79 4.050 3.589 -11.710 1.00 3.34 H new ATOM 0 HD12 LEU A 79 4.916 4.901 -10.875 1.00 3.34 H new ATOM 0 HD13 LEU A 79 3.269 4.458 -10.367 1.00 3.34 H new ATOM 0 HD21 LEU A 79 2.200 4.055 -13.255 1.00 31.31 H new ATOM 0 HD22 LEU A 79 1.267 4.995 -12.066 1.00 31.31 H new ATOM 0 HD23 LEU A 79 1.702 5.722 -13.631 1.00 31.31 H new ATOM 1352 N GLU A 80 5.414 8.357 -9.322 1.00 33.35 N ATOM 1353 CA GLU A 80 6.339 8.082 -8.216 1.00 43.23 C ATOM 1354 C GLU A 80 5.742 7.039 -7.283 1.00 42.41 C ATOM 1355 O GLU A 80 4.526 6.990 -7.098 1.00 44.00 O ATOM 1356 CB GLU A 80 6.696 9.387 -7.471 1.00 43.34 C ATOM 1357 CG GLU A 80 7.393 10.437 -8.363 1.00 3.24 C ATOM 1358 CD GLU A 80 8.645 9.881 -9.069 1.00 63.54 C ATOM 1359 OE1 GLU A 80 9.727 9.853 -8.448 1.00 4.51 O ATOM 1360 OE2 GLU A 80 8.553 9.442 -10.238 1.00 35.45 O ATOM 0 H GLU A 80 4.800 9.156 -9.164 1.00 33.35 H new ATOM 0 HA GLU A 80 7.267 7.675 -8.617 1.00 43.23 H new ATOM 0 HB2 GLU A 80 5.785 9.820 -7.058 1.00 43.34 H new ATOM 0 HB3 GLU A 80 7.346 9.149 -6.629 1.00 43.34 H new ATOM 0 HG2 GLU A 80 6.688 10.797 -9.112 1.00 3.24 H new ATOM 0 HG3 GLU A 80 7.676 11.295 -7.754 1.00 3.24 H new ATOM 1367 N VAL A 81 6.617 6.188 -6.738 1.00 34.42 N ATOM 1368 CA VAL A 81 6.244 5.073 -5.871 1.00 60.51 C ATOM 1369 C VAL A 81 6.859 5.293 -4.482 1.00 1.21 C ATOM 1370 O VAL A 81 8.074 5.490 -4.365 1.00 63.22 O ATOM 1371 CB VAL A 81 6.741 3.696 -6.458 1.00 71.25 C ATOM 1372 CG1 VAL A 81 6.247 2.529 -5.586 1.00 43.33 C ATOM 1373 CG2 VAL A 81 6.312 3.515 -7.937 1.00 20.44 C ATOM 0 H VAL A 81 7.623 6.259 -6.892 1.00 34.42 H new ATOM 0 HA VAL A 81 5.157 5.035 -5.803 1.00 60.51 H new ATOM 0 HB VAL A 81 7.831 3.699 -6.440 1.00 71.25 H new ATOM 0 HG11 VAL A 81 6.599 1.587 -6.006 1.00 43.33 H new ATOM 0 HG12 VAL A 81 6.634 2.642 -4.573 1.00 43.33 H new ATOM 0 HG13 VAL A 81 5.157 2.530 -5.560 1.00 43.33 H new ATOM 0 HG21 VAL A 81 6.673 2.555 -8.306 1.00 20.44 H new ATOM 0 HG22 VAL A 81 5.225 3.545 -8.007 1.00 20.44 H new ATOM 0 HG23 VAL A 81 6.736 4.318 -8.540 1.00 20.44 H new ATOM 1383 N ARG A 82 6.008 5.278 -3.451 1.00 44.34 N ATOM 1384 CA ARG A 82 6.412 5.455 -2.051 1.00 41.34 C ATOM 1385 C ARG A 82 5.995 4.215 -1.257 1.00 33.31 C ATOM 1386 O ARG A 82 4.804 3.950 -1.107 1.00 64.24 O ATOM 1387 CB ARG A 82 5.783 6.788 -1.512 1.00 42.11 C ATOM 1388 CG ARG A 82 5.738 7.036 0.031 1.00 35.40 C ATOM 1389 CD ARG A 82 7.013 6.634 0.809 1.00 63.53 C ATOM 1390 NE ARG A 82 8.276 6.911 0.093 1.00 64.05 N ATOM 1391 CZ ARG A 82 9.443 6.279 0.328 1.00 74.45 C ATOM 1392 NH1 ARG A 82 9.532 5.345 1.272 1.00 24.04 N ATOM 1393 NH2 ARG A 82 10.507 6.544 -0.417 1.00 42.14 N ATOM 0 H ARG A 82 5.004 5.141 -3.567 1.00 44.34 H new ATOM 0 HA ARG A 82 7.493 5.548 -1.947 1.00 41.34 H new ATOM 0 HB2 ARG A 82 6.331 7.616 -1.962 1.00 42.11 H new ATOM 0 HB3 ARG A 82 4.760 6.843 -1.884 1.00 42.11 H new ATOM 0 HG2 ARG A 82 5.546 8.095 0.205 1.00 35.40 H new ATOM 0 HG3 ARG A 82 4.893 6.486 0.445 1.00 35.40 H new ATOM 0 HD2 ARG A 82 7.025 7.164 1.761 1.00 63.53 H new ATOM 0 HD3 ARG A 82 6.965 5.569 1.037 1.00 63.53 H new ATOM 0 HE ARG A 82 8.264 7.631 -0.630 1.00 64.05 H new ATOM 0 HH11 ARG A 82 8.712 5.101 1.827 1.00 24.04 H new ATOM 0 HH12 ARG A 82 10.421 4.873 1.441 1.00 24.04 H new ATOM 0 HH21 ARG A 82 10.444 7.228 -1.171 1.00 42.14 H new ATOM 0 HH22 ARG A 82 11.389 6.064 -0.236 1.00 42.14 H new ATOM 1407 N LYS A 83 7.006 3.446 -0.789 1.00 72.14 N ATOM 1408 CA LYS A 83 6.799 2.327 0.140 1.00 14.14 C ATOM 1409 C LYS A 83 6.534 2.867 1.550 1.00 30.44 C ATOM 1410 O LYS A 83 7.338 3.640 2.082 1.00 14.34 O ATOM 1411 CB LYS A 83 8.025 1.382 0.214 1.00 70.43 C ATOM 1412 CG LYS A 83 8.458 0.744 -1.120 1.00 44.03 C ATOM 1413 CD LYS A 83 9.326 -0.529 -0.911 1.00 44.40 C ATOM 1414 CE LYS A 83 10.529 -0.304 0.024 1.00 74.41 C ATOM 1415 NZ LYS A 83 11.277 -1.569 0.275 1.00 74.04 N ATOM 0 H LYS A 83 7.982 3.589 -1.048 1.00 72.14 H new ATOM 0 HA LYS A 83 5.947 1.761 -0.236 1.00 14.14 H new ATOM 0 HB2 LYS A 83 8.868 1.942 0.618 1.00 70.43 H new ATOM 0 HB3 LYS A 83 7.803 0.584 0.922 1.00 70.43 H new ATOM 0 HG2 LYS A 83 7.573 0.486 -1.701 1.00 44.03 H new ATOM 0 HG3 LYS A 83 9.021 1.473 -1.703 1.00 44.03 H new ATOM 0 HD2 LYS A 83 8.701 -1.322 -0.502 1.00 44.40 H new ATOM 0 HD3 LYS A 83 9.688 -0.876 -1.879 1.00 44.40 H new ATOM 0 HE2 LYS A 83 11.199 0.434 -0.417 1.00 74.41 H new ATOM 0 HE3 LYS A 83 10.181 0.107 0.972 1.00 74.41 H new ATOM 0 HZ1 LYS A 83 12.273 -1.349 0.476 1.00 74.04 H new ATOM 0 HZ2 LYS A 83 10.860 -2.063 1.090 1.00 74.04 H new ATOM 0 HZ3 LYS A 83 11.220 -2.179 -0.566 1.00 74.04 H new ATOM 1429 N VAL A 84 5.418 2.457 2.133 1.00 43.32 N ATOM 1430 CA VAL A 84 5.028 2.844 3.488 1.00 43.52 C ATOM 1431 C VAL A 84 5.050 1.589 4.363 1.00 21.22 C ATOM 1432 O VAL A 84 4.040 0.898 4.495 1.00 62.12 O ATOM 1433 CB VAL A 84 3.594 3.495 3.482 1.00 30.44 C ATOM 1434 CG1 VAL A 84 3.137 3.863 4.906 1.00 35.21 C ATOM 1435 CG2 VAL A 84 3.542 4.711 2.528 1.00 44.35 C ATOM 0 H VAL A 84 4.747 1.839 1.677 1.00 43.32 H new ATOM 0 HA VAL A 84 5.723 3.585 3.884 1.00 43.52 H new ATOM 0 HB VAL A 84 2.890 2.753 3.104 1.00 30.44 H new ATOM 0 HG11 VAL A 84 2.144 4.310 4.865 1.00 35.21 H new ATOM 0 HG12 VAL A 84 3.106 2.964 5.522 1.00 35.21 H new ATOM 0 HG13 VAL A 84 3.838 4.576 5.340 1.00 35.21 H new ATOM 0 HG21 VAL A 84 2.541 5.142 2.542 1.00 44.35 H new ATOM 0 HG22 VAL A 84 4.264 5.460 2.853 1.00 44.35 H new ATOM 0 HG23 VAL A 84 3.784 4.389 1.515 1.00 44.35 H new ATOM 1445 N THR A 85 6.208 1.285 4.952 1.00 1.35 N ATOM 1446 CA THR A 85 6.377 0.065 5.754 1.00 5.14 C ATOM 1447 C THR A 85 5.798 0.255 7.160 1.00 1.33 C ATOM 1448 O THR A 85 5.185 -0.668 7.722 1.00 75.13 O ATOM 1449 CB THR A 85 7.874 -0.381 5.816 1.00 32.00 C ATOM 1450 OG1 THR A 85 8.705 0.723 6.193 1.00 62.13 O ATOM 1451 CG2 THR A 85 8.346 -0.947 4.460 1.00 60.34 C ATOM 0 H THR A 85 7.045 1.865 4.891 1.00 1.35 H new ATOM 0 HA THR A 85 5.822 -0.734 5.262 1.00 5.14 H new ATOM 0 HB THR A 85 7.956 -1.169 6.565 1.00 32.00 H new ATOM 0 HG1 THR A 85 9.640 0.431 6.230 1.00 62.13 H new ATOM 0 HG21 THR A 85 9.391 -1.248 4.535 1.00 60.34 H new ATOM 0 HG22 THR A 85 7.737 -1.811 4.195 1.00 60.34 H new ATOM 0 HG23 THR A 85 8.244 -0.182 3.691 1.00 60.34 H new ATOM 1459 N ASP A 86 5.946 1.469 7.701 1.00 11.23 N ATOM 1460 CA ASP A 86 5.471 1.797 9.055 1.00 35.45 C ATOM 1461 C ASP A 86 4.378 2.876 8.992 1.00 64.12 C ATOM 1462 O ASP A 86 4.346 3.677 8.046 1.00 42.11 O ATOM 1463 CB ASP A 86 6.653 2.243 9.946 1.00 74.24 C ATOM 1464 CG ASP A 86 6.262 2.348 11.435 1.00 63.21 C ATOM 1465 OD1 ASP A 86 6.150 1.298 12.105 1.00 61.51 O ATOM 1466 OD2 ASP A 86 6.046 3.463 11.933 1.00 51.31 O ATOM 0 H ASP A 86 6.394 2.248 7.219 1.00 11.23 H new ATOM 0 HA ASP A 86 5.033 0.904 9.502 1.00 35.45 H new ATOM 0 HB2 ASP A 86 7.473 1.534 9.838 1.00 74.24 H new ATOM 0 HB3 ASP A 86 7.020 3.210 9.601 1.00 74.24 H new ATOM 1471 N GLU A 87 3.491 2.869 10.016 1.00 11.44 N ATOM 1472 CA GLU A 87 2.376 3.825 10.174 1.00 43.25 C ATOM 1473 C GLU A 87 2.861 5.292 10.170 1.00 1.31 C ATOM 1474 O GLU A 87 2.201 6.159 9.595 1.00 33.33 O ATOM 1475 CB GLU A 87 1.619 3.534 11.497 1.00 65.02 C ATOM 1476 CG GLU A 87 0.367 4.421 11.726 1.00 44.12 C ATOM 1477 CD GLU A 87 -0.227 4.270 13.136 1.00 35.45 C ATOM 1478 OE1 GLU A 87 -0.830 3.224 13.429 1.00 65.50 O ATOM 1479 OE2 GLU A 87 -0.094 5.200 13.965 1.00 14.21 O ATOM 0 H GLU A 87 3.534 2.183 10.769 1.00 11.44 H new ATOM 0 HA GLU A 87 1.710 3.693 9.322 1.00 43.25 H new ATOM 0 HB2 GLU A 87 1.314 2.487 11.505 1.00 65.02 H new ATOM 0 HB3 GLU A 87 2.305 3.672 12.332 1.00 65.02 H new ATOM 0 HG2 GLU A 87 0.633 5.465 11.560 1.00 44.12 H new ATOM 0 HG3 GLU A 87 -0.393 4.164 10.988 1.00 44.12 H new ATOM 1486 N ASP A 88 4.028 5.534 10.812 1.00 11.11 N ATOM 1487 CA ASP A 88 4.672 6.870 10.905 1.00 24.11 C ATOM 1488 C ASP A 88 4.848 7.535 9.521 1.00 44.41 C ATOM 1489 O ASP A 88 4.652 8.752 9.370 1.00 71.32 O ATOM 1490 CB ASP A 88 6.049 6.731 11.614 1.00 22.51 C ATOM 1491 CG ASP A 88 6.802 8.063 11.762 1.00 71.23 C ATOM 1492 OD1 ASP A 88 6.431 8.870 12.645 1.00 30.41 O ATOM 1493 OD2 ASP A 88 7.765 8.315 11.007 1.00 74.34 O ATOM 0 H ASP A 88 4.556 4.801 11.286 1.00 11.11 H new ATOM 0 HA ASP A 88 4.016 7.517 11.487 1.00 24.11 H new ATOM 0 HB2 ASP A 88 5.897 6.297 12.602 1.00 22.51 H new ATOM 0 HB3 ASP A 88 6.669 6.033 11.051 1.00 22.51 H new ATOM 1498 N GLN A 89 5.172 6.697 8.516 1.00 2.10 N ATOM 1499 CA GLN A 89 5.348 7.126 7.118 1.00 55.33 C ATOM 1500 C GLN A 89 3.995 7.483 6.487 1.00 43.23 C ATOM 1501 O GLN A 89 3.891 8.478 5.774 1.00 30.23 O ATOM 1502 CB GLN A 89 6.036 6.013 6.289 1.00 31.34 C ATOM 1503 CG GLN A 89 7.371 5.521 6.878 1.00 70.42 C ATOM 1504 CD GLN A 89 7.983 4.349 6.111 1.00 22.41 C ATOM 1505 OE1 GLN A 89 7.819 4.209 4.902 1.00 64.45 O ATOM 1506 NE2 GLN A 89 8.676 3.488 6.814 1.00 50.00 N ATOM 0 H GLN A 89 5.319 5.697 8.655 1.00 2.10 H new ATOM 0 HA GLN A 89 5.983 8.012 7.115 1.00 55.33 H new ATOM 0 HB2 GLN A 89 5.355 5.166 6.203 1.00 31.34 H new ATOM 0 HB3 GLN A 89 6.212 6.384 5.279 1.00 31.34 H new ATOM 0 HG2 GLN A 89 8.081 6.348 6.888 1.00 70.42 H new ATOM 0 HG3 GLN A 89 7.213 5.223 7.915 1.00 70.42 H new ATOM 0 HE21 GLN A 89 8.797 3.628 7.817 1.00 50.00 H new ATOM 0 HE22 GLN A 89 9.095 2.677 6.358 1.00 50.00 H new ATOM 1515 N ALA A 90 2.963 6.666 6.798 1.00 42.43 N ATOM 1516 CA ALA A 90 1.587 6.850 6.283 1.00 62.12 C ATOM 1517 C ALA A 90 0.989 8.182 6.756 1.00 31.32 C ATOM 1518 O ALA A 90 0.289 8.854 6.002 1.00 33.03 O ATOM 1519 CB ALA A 90 0.681 5.680 6.714 1.00 3.33 C ATOM 0 H ALA A 90 3.061 5.859 7.414 1.00 42.43 H new ATOM 0 HA ALA A 90 1.643 6.868 5.195 1.00 62.12 H new ATOM 0 HB1 ALA A 90 -0.325 5.836 6.325 1.00 3.33 H new ATOM 0 HB2 ALA A 90 1.081 4.746 6.321 1.00 3.33 H new ATOM 0 HB3 ALA A 90 0.645 5.629 7.802 1.00 3.33 H new ATOM 1525 N LYS A 91 1.308 8.555 8.006 1.00 75.13 N ATOM 1526 CA LYS A 91 0.832 9.795 8.630 1.00 72.52 C ATOM 1527 C LYS A 91 1.618 11.013 8.107 1.00 41.44 C ATOM 1528 O LYS A 91 1.043 12.090 7.923 1.00 43.22 O ATOM 1529 CB LYS A 91 0.946 9.684 10.177 1.00 33.15 C ATOM 1530 CG LYS A 91 0.205 8.456 10.766 1.00 3.12 C ATOM 1531 CD LYS A 91 0.258 8.379 12.310 1.00 2.32 C ATOM 1532 CE LYS A 91 -0.541 9.500 12.986 1.00 42.24 C ATOM 1533 NZ LYS A 91 -0.537 9.375 14.466 1.00 45.51 N ATOM 0 H LYS A 91 1.908 7.998 8.615 1.00 75.13 H new ATOM 0 HA LYS A 91 -0.215 9.940 8.364 1.00 72.52 H new ATOM 0 HB2 LYS A 91 1.999 9.629 10.453 1.00 33.15 H new ATOM 0 HB3 LYS A 91 0.545 10.591 10.629 1.00 33.15 H new ATOM 0 HG2 LYS A 91 -0.837 8.485 10.448 1.00 3.12 H new ATOM 0 HG3 LYS A 91 0.640 7.547 10.351 1.00 3.12 H new ATOM 0 HD2 LYS A 91 -0.131 7.414 12.635 1.00 2.32 H new ATOM 0 HD3 LYS A 91 1.297 8.431 12.637 1.00 2.32 H new ATOM 0 HE2 LYS A 91 -0.121 10.465 12.703 1.00 42.24 H new ATOM 0 HE3 LYS A 91 -1.569 9.481 12.624 1.00 42.24 H new ATOM 0 HZ1 LYS A 91 -1.088 10.153 14.882 1.00 45.51 H new ATOM 0 HZ2 LYS A 91 -0.961 8.465 14.739 1.00 45.51 H new ATOM 0 HZ3 LYS A 91 0.442 9.419 14.815 1.00 45.51 H new ATOM 1547 N GLN A 92 2.930 10.827 7.842 1.00 21.45 N ATOM 1548 CA GLN A 92 3.810 11.919 7.382 1.00 33.33 C ATOM 1549 C GLN A 92 3.481 12.323 5.933 1.00 63.33 C ATOM 1550 O GLN A 92 3.442 13.517 5.608 1.00 73.32 O ATOM 1551 CB GLN A 92 5.308 11.519 7.495 1.00 72.04 C ATOM 1552 CG GLN A 92 6.303 12.644 7.107 1.00 74.21 C ATOM 1553 CD GLN A 92 6.135 13.926 7.941 1.00 41.40 C ATOM 1554 OE1 GLN A 92 6.746 14.076 8.997 1.00 60.04 O ATOM 1555 NE2 GLN A 92 5.308 14.856 7.474 1.00 31.42 N ATOM 0 H GLN A 92 3.402 9.928 7.940 1.00 21.45 H new ATOM 0 HA GLN A 92 3.631 12.776 8.031 1.00 33.33 H new ATOM 0 HB2 GLN A 92 5.512 11.208 8.520 1.00 72.04 H new ATOM 0 HB3 GLN A 92 5.490 10.654 6.857 1.00 72.04 H new ATOM 0 HG2 GLN A 92 7.321 12.274 7.225 1.00 74.21 H new ATOM 0 HG3 GLN A 92 6.172 12.886 6.052 1.00 74.21 H new ATOM 0 HE21 GLN A 92 4.814 14.704 6.595 1.00 31.42 H new ATOM 0 HE22 GLN A 92 5.167 15.721 7.995 1.00 31.42 H new ATOM 1564 N ILE A 93 3.277 11.320 5.062 1.00 4.03 N ATOM 1565 CA ILE A 93 2.955 11.564 3.647 1.00 12.35 C ATOM 1566 C ILE A 93 1.587 12.263 3.465 1.00 52.21 C ATOM 1567 O ILE A 93 1.396 12.969 2.486 1.00 4.32 O ATOM 1568 CB ILE A 93 3.048 10.271 2.768 1.00 44.04 C ATOM 1569 CG1 ILE A 93 1.987 9.224 3.198 1.00 44.11 C ATOM 1570 CG2 ILE A 93 4.485 9.679 2.813 1.00 71.23 C ATOM 1571 CD1 ILE A 93 2.015 7.938 2.400 1.00 74.12 C ATOM 0 H ILE A 93 3.330 10.333 5.314 1.00 4.03 H new ATOM 0 HA ILE A 93 3.724 12.248 3.288 1.00 12.35 H new ATOM 0 HB ILE A 93 2.833 10.545 1.735 1.00 44.04 H new ATOM 0 HG12 ILE A 93 2.135 8.986 4.251 1.00 44.11 H new ATOM 0 HG13 ILE A 93 0.997 9.671 3.108 1.00 44.11 H new ATOM 0 HG21 ILE A 93 4.528 8.781 2.196 1.00 71.23 H new ATOM 0 HG22 ILE A 93 5.194 10.415 2.433 1.00 71.23 H new ATOM 0 HG23 ILE A 93 4.742 9.425 3.841 1.00 71.23 H new ATOM 0 HD11 ILE A 93 1.241 7.265 2.768 1.00 74.12 H new ATOM 0 HD12 ILE A 93 1.834 8.159 1.348 1.00 74.12 H new ATOM 0 HD13 ILE A 93 2.990 7.464 2.509 1.00 74.12 H new ATOM 1583 N LEU A 94 0.657 12.094 4.424 1.00 24.33 N ATOM 1584 CA LEU A 94 -0.608 12.875 4.448 1.00 24.11 C ATOM 1585 C LEU A 94 -0.329 14.397 4.450 1.00 31.33 C ATOM 1586 O LEU A 94 -1.023 15.167 3.780 1.00 23.31 O ATOM 1587 CB LEU A 94 -1.456 12.494 5.688 1.00 54.53 C ATOM 1588 CG LEU A 94 -1.986 11.034 5.719 1.00 71.11 C ATOM 1589 CD1 LEU A 94 -2.653 10.715 7.068 1.00 45.34 C ATOM 1590 CD2 LEU A 94 -2.938 10.759 4.535 1.00 63.45 C ATOM 0 H LEU A 94 0.751 11.429 5.191 1.00 24.33 H new ATOM 0 HA LEU A 94 -1.165 12.630 3.544 1.00 24.11 H new ATOM 0 HB2 LEU A 94 -0.855 12.662 6.582 1.00 54.53 H new ATOM 0 HB3 LEU A 94 -2.308 13.172 5.745 1.00 54.53 H new ATOM 0 HG LEU A 94 -1.132 10.366 5.610 1.00 71.11 H new ATOM 0 HD11 LEU A 94 -3.014 9.687 7.061 1.00 45.34 H new ATOM 0 HD12 LEU A 94 -1.927 10.839 7.871 1.00 45.34 H new ATOM 0 HD13 LEU A 94 -3.491 11.393 7.229 1.00 45.34 H new ATOM 0 HD21 LEU A 94 -3.292 9.729 4.584 1.00 63.45 H new ATOM 0 HD22 LEU A 94 -3.789 11.438 4.587 1.00 63.45 H new ATOM 0 HD23 LEU A 94 -2.406 10.915 3.597 1.00 63.45 H new ATOM 1602 N GLU A 95 0.715 14.791 5.201 1.00 55.41 N ATOM 1603 CA GLU A 95 1.213 16.183 5.277 1.00 31.31 C ATOM 1604 C GLU A 95 2.024 16.544 4.016 1.00 55.01 C ATOM 1605 O GLU A 95 1.917 17.648 3.495 1.00 12.34 O ATOM 1606 CB GLU A 95 2.110 16.329 6.530 1.00 52.22 C ATOM 1607 CG GLU A 95 1.384 16.041 7.864 1.00 51.23 C ATOM 1608 CD GLU A 95 2.320 15.927 9.083 1.00 33.01 C ATOM 1609 OE1 GLU A 95 3.393 16.575 9.105 1.00 45.12 O ATOM 1610 OE2 GLU A 95 1.978 15.195 10.035 1.00 65.23 O ATOM 0 H GLU A 95 1.247 14.144 5.783 1.00 55.41 H new ATOM 0 HA GLU A 95 0.362 16.860 5.343 1.00 31.31 H new ATOM 0 HB2 GLU A 95 2.958 15.651 6.437 1.00 52.22 H new ATOM 0 HB3 GLU A 95 2.513 17.341 6.559 1.00 52.22 H new ATOM 0 HG2 GLU A 95 0.660 16.835 8.049 1.00 51.23 H new ATOM 0 HG3 GLU A 95 0.821 15.113 7.765 1.00 51.23 H new ATOM 1617 N ASP A 96 2.785 15.557 3.528 1.00 33.01 N ATOM 1618 CA ASP A 96 3.766 15.725 2.434 1.00 12.34 C ATOM 1619 C ASP A 96 3.080 16.017 1.084 1.00 45.43 C ATOM 1620 O ASP A 96 3.582 16.803 0.274 1.00 11.15 O ATOM 1621 CB ASP A 96 4.636 14.460 2.322 1.00 0.44 C ATOM 1622 CG ASP A 96 5.631 14.491 1.151 1.00 65.41 C ATOM 1623 OD1 ASP A 96 6.498 15.380 1.130 1.00 74.21 O ATOM 1624 OD2 ASP A 96 5.568 13.606 0.267 1.00 71.12 O ATOM 0 H ASP A 96 2.740 14.602 3.883 1.00 33.01 H new ATOM 0 HA ASP A 96 4.392 16.585 2.674 1.00 12.34 H new ATOM 0 HB2 ASP A 96 5.189 14.327 3.252 1.00 0.44 H new ATOM 0 HB3 ASP A 96 3.986 13.592 2.211 1.00 0.44 H new ATOM 1629 N LEU A 97 1.931 15.358 0.859 1.00 61.31 N ATOM 1630 CA LEU A 97 1.123 15.511 -0.368 1.00 31.04 C ATOM 1631 C LEU A 97 0.344 16.849 -0.342 1.00 10.31 C ATOM 1632 O LEU A 97 -0.092 17.334 -1.391 1.00 75.12 O ATOM 1633 CB LEU A 97 0.166 14.283 -0.552 1.00 62.31 C ATOM 1634 CG LEU A 97 0.788 12.969 -1.170 1.00 70.52 C ATOM 1635 CD1 LEU A 97 2.042 12.482 -0.431 1.00 42.14 C ATOM 1636 CD2 LEU A 97 -0.258 11.839 -1.216 1.00 62.52 C ATOM 0 H LEU A 97 1.532 14.699 1.527 1.00 61.31 H new ATOM 0 HA LEU A 97 1.791 15.538 -1.229 1.00 31.04 H new ATOM 0 HB2 LEU A 97 -0.253 14.032 0.423 1.00 62.31 H new ATOM 0 HB3 LEU A 97 -0.665 14.594 -1.186 1.00 62.31 H new ATOM 0 HG LEU A 97 1.095 13.232 -2.182 1.00 70.52 H new ATOM 0 HD11 LEU A 97 2.417 11.576 -0.908 1.00 42.14 H new ATOM 0 HD12 LEU A 97 2.809 13.255 -0.468 1.00 42.14 H new ATOM 0 HD13 LEU A 97 1.792 12.268 0.608 1.00 42.14 H new ATOM 0 HD21 LEU A 97 0.192 10.944 -1.645 1.00 62.52 H new ATOM 0 HD22 LEU A 97 -0.604 11.622 -0.205 1.00 62.52 H new ATOM 0 HD23 LEU A 97 -1.103 12.150 -1.830 1.00 62.52 H new ATOM 1648 N LYS A 98 0.181 17.431 0.868 1.00 20.23 N ATOM 1649 CA LYS A 98 -0.351 18.799 1.049 1.00 25.15 C ATOM 1650 C LYS A 98 0.767 19.821 0.752 1.00 71.41 C ATOM 1651 O LYS A 98 0.537 20.846 0.105 1.00 75.21 O ATOM 1652 CB LYS A 98 -0.875 19.015 2.502 1.00 24.22 C ATOM 1653 CG LYS A 98 -2.020 18.079 2.940 1.00 43.25 C ATOM 1654 CD LYS A 98 -3.277 18.199 2.050 1.00 15.10 C ATOM 1655 CE LYS A 98 -4.486 17.442 2.631 1.00 21.01 C ATOM 1656 NZ LYS A 98 -4.207 16.002 2.831 1.00 31.33 N ATOM 0 H LYS A 98 0.415 16.965 1.745 1.00 20.23 H new ATOM 0 HA LYS A 98 -1.185 18.938 0.361 1.00 25.15 H new ATOM 0 HB2 LYS A 98 -0.041 18.889 3.193 1.00 24.22 H new ATOM 0 HB3 LYS A 98 -1.215 20.046 2.598 1.00 24.22 H new ATOM 0 HG2 LYS A 98 -1.666 17.048 2.921 1.00 43.25 H new ATOM 0 HG3 LYS A 98 -2.290 18.304 3.972 1.00 43.25 H new ATOM 0 HD2 LYS A 98 -3.535 19.251 1.931 1.00 15.10 H new ATOM 0 HD3 LYS A 98 -3.053 17.811 1.056 1.00 15.10 H new ATOM 0 HE2 LYS A 98 -4.768 17.890 3.584 1.00 21.01 H new ATOM 0 HE3 LYS A 98 -5.338 17.555 1.961 1.00 21.01 H new ATOM 0 HZ1 LYS A 98 -5.098 15.467 2.790 1.00 31.33 H new ATOM 0 HZ2 LYS A 98 -3.566 15.665 2.084 1.00 31.33 H new ATOM 0 HZ3 LYS A 98 -3.760 15.861 3.760 1.00 31.33 H new