USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 582 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -111:sc= -0.265 (180deg=-1.11) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 154:sc= -0.106 (180deg=-0.677) USER MOD Single : A 34 TYR OH : rot 138:sc= -11! USER MOD Single : A 38 LYS NZ :NH3+ 141:sc= 1.08 (180deg=-1.74) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.194) USER MOD Single : A 58 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0202) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -161:sc= -0.0289 (180deg=-0.275) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.893 -6.098 9.165 1.00 0.00 N ATOM 2 CA GLY A 1 -15.911 -5.078 8.703 1.00 0.00 C ATOM 3 C GLY A 1 -16.056 -4.755 7.229 1.00 0.00 C ATOM 4 O GLY A 1 -15.676 -5.554 6.372 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.751 -6.282 10.179 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.859 -5.746 9.009 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.756 -6.979 8.630 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.039 -4.166 9.285 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.900 -5.439 8.894 1.00 0.00 H new ATOM 10 N SER A 2 -16.609 -3.584 6.933 1.00 0.00 N ATOM 11 CA SER A 2 -16.805 -3.157 5.553 1.00 0.00 C ATOM 12 C SER A 2 -15.859 -2.014 5.197 1.00 0.00 C ATOM 13 O SER A 2 -15.430 -1.884 4.051 1.00 0.00 O ATOM 14 CB SER A 2 -18.256 -2.724 5.334 1.00 0.00 C ATOM 15 OG SER A 2 -18.907 -3.571 4.403 1.00 0.00 O ATOM 0 H SER A 2 -16.930 -2.913 7.631 1.00 0.00 H new ATOM 0 HA SER A 2 -16.583 -4.002 4.901 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.791 -2.743 6.283 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.281 -1.695 4.974 1.00 0.00 H new ATOM 0 HG SER A 2 -19.833 -3.274 4.282 1.00 0.00 H new ATOM 21 N ARG A 3 -15.539 -1.187 6.187 1.00 0.00 N ATOM 22 CA ARG A 3 -14.644 -0.054 5.978 1.00 0.00 C ATOM 23 C ARG A 3 -13.189 -0.510 5.925 1.00 0.00 C ATOM 24 O ARG A 3 -12.391 0.020 5.152 1.00 0.00 O ATOM 25 CB ARG A 3 -14.830 0.980 7.089 1.00 0.00 C ATOM 26 CG ARG A 3 -14.573 0.430 8.482 1.00 0.00 C ATOM 27 CD ARG A 3 -13.198 0.828 8.993 1.00 0.00 C ATOM 28 NE ARG A 3 -13.144 2.234 9.384 1.00 0.00 N ATOM 29 CZ ARG A 3 -13.625 2.703 10.533 1.00 0.00 C ATOM 30 NH1 ARG A 3 -14.198 1.883 11.406 1.00 0.00 N1+ ATOM 31 NH2 ARG A 3 -13.532 3.996 10.812 1.00 0.00 N ATOM 0 H ARG A 3 -15.886 -1.280 7.142 1.00 0.00 H new ATOM 0 HA ARG A 3 -14.894 0.404 5.021 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -14.158 1.819 6.909 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -15.847 1.371 7.044 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -15.337 0.798 9.166 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -14.656 -0.657 8.466 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -12.934 0.204 9.847 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -12.455 0.639 8.218 1.00 0.00 H new ATOM 0 HE ARG A 3 -12.712 2.895 8.739 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -14.272 0.887 11.198 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -14.565 2.249 12.285 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -13.092 4.631 10.146 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -13.901 4.356 11.692 1.00 0.00 H new ATOM 45 N VAL A 4 -12.851 -1.495 6.750 1.00 0.00 N ATOM 46 CA VAL A 4 -11.493 -2.022 6.795 1.00 0.00 C ATOM 47 C VAL A 4 -11.181 -2.843 5.549 1.00 0.00 C ATOM 48 O VAL A 4 -10.115 -2.698 4.950 1.00 0.00 O ATOM 49 CB VAL A 4 -11.272 -2.898 8.043 1.00 0.00 C ATOM 50 CG1 VAL A 4 -9.807 -3.286 8.171 1.00 0.00 C ATOM 51 CG2 VAL A 4 -11.751 -2.177 9.292 1.00 0.00 C ATOM 0 H VAL A 4 -13.499 -1.944 7.397 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.822 -1.164 6.839 1.00 0.00 H new ATOM 0 HB VAL A 4 -11.857 -3.811 7.932 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.671 -3.904 9.058 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.500 -3.846 7.288 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.199 -2.386 8.259 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -11.587 -2.811 10.163 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.196 -1.246 9.410 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -12.814 -1.956 9.199 1.00 0.00 H new ATOM 61 N LYS A 5 -12.116 -3.704 5.160 1.00 0.00 N ATOM 62 CA LYS A 5 -11.932 -4.541 3.980 1.00 0.00 C ATOM 63 C LYS A 5 -11.784 -3.679 2.733 1.00 0.00 C ATOM 64 O LYS A 5 -10.913 -3.922 1.901 1.00 0.00 O ATOM 65 CB LYS A 5 -13.108 -5.507 3.813 1.00 0.00 C ATOM 66 CG LYS A 5 -13.108 -6.248 2.483 1.00 0.00 C ATOM 67 CD LYS A 5 -11.758 -6.887 2.197 1.00 0.00 C ATOM 68 CE LYS A 5 -11.903 -8.349 1.803 1.00 0.00 C ATOM 69 NZ LYS A 5 -12.328 -8.502 0.384 1.00 0.00 N1+ ATOM 0 H LYS A 5 -13.005 -3.840 5.642 1.00 0.00 H new ATOM 0 HA LYS A 5 -11.020 -5.123 4.116 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -13.087 -6.235 4.624 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -14.040 -4.950 3.909 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.880 -7.017 2.495 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.361 -5.555 1.680 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.259 -6.341 1.396 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.123 -6.809 3.080 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.953 -8.862 1.955 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -12.633 -8.830 2.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.415 -9.513 0.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -13.247 -8.035 0.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.619 -8.066 -0.240 1.00 0.00 H new ATOM 83 N ALA A 6 -12.630 -2.662 2.616 1.00 0.00 N ATOM 84 CA ALA A 6 -12.581 -1.758 1.476 1.00 0.00 C ATOM 85 C ALA A 6 -11.198 -1.131 1.363 1.00 0.00 C ATOM 86 O ALA A 6 -10.691 -0.901 0.266 1.00 0.00 O ATOM 87 CB ALA A 6 -13.647 -0.683 1.606 1.00 0.00 C ATOM 0 H ALA A 6 -13.357 -2.444 3.297 1.00 0.00 H new ATOM 0 HA ALA A 6 -12.779 -2.328 0.568 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.597 -0.015 0.746 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.631 -1.150 1.647 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.478 -0.112 2.519 1.00 0.00 H new ATOM 93 N LEU A 7 -10.595 -0.869 2.516 1.00 0.00 N ATOM 94 CA LEU A 7 -9.265 -0.280 2.580 1.00 0.00 C ATOM 95 C LEU A 7 -8.250 -1.162 1.861 1.00 0.00 C ATOM 96 O LEU A 7 -7.370 -0.669 1.155 1.00 0.00 O ATOM 97 CB LEU A 7 -8.858 -0.108 4.043 1.00 0.00 C ATOM 98 CG LEU A 7 -8.139 1.198 4.372 1.00 0.00 C ATOM 99 CD1 LEU A 7 -6.833 1.298 3.598 1.00 0.00 C ATOM 100 CD2 LEU A 7 -9.036 2.390 4.075 1.00 0.00 C ATOM 0 H LEU A 7 -11.012 -1.058 3.428 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.286 0.692 2.087 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.752 -0.177 4.662 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.212 -0.940 4.323 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.905 1.205 5.437 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.334 2.235 3.845 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.187 0.462 3.865 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.041 1.269 2.528 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.507 3.312 4.316 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.303 2.390 3.018 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.941 2.323 4.678 1.00 0.00 H new ATOM 112 N GLU A 8 -8.381 -2.467 2.053 1.00 0.00 N ATOM 113 CA GLU A 8 -7.482 -3.437 1.436 1.00 0.00 C ATOM 114 C GLU A 8 -7.619 -3.437 -0.088 1.00 0.00 C ATOM 115 O GLU A 8 -6.658 -3.710 -0.806 1.00 0.00 O ATOM 116 CB GLU A 8 -7.753 -4.840 2.002 1.00 0.00 C ATOM 117 CG GLU A 8 -8.750 -5.665 1.196 1.00 0.00 C ATOM 118 CD GLU A 8 -8.083 -6.477 0.104 1.00 0.00 C ATOM 119 OE1 GLU A 8 -7.605 -7.592 0.400 1.00 0.00 O ATOM 120 OE2 GLU A 8 -8.040 -5.999 -1.050 1.00 0.00 O1- ATOM 0 H GLU A 8 -9.107 -2.883 2.636 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.458 -3.149 1.674 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.810 -5.384 2.056 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.123 -4.741 3.022 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.287 -6.336 1.866 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.490 -5.000 0.750 1.00 0.00 H new ATOM 127 N GLU A 9 -8.824 -3.154 -0.571 1.00 0.00 N ATOM 128 CA GLU A 9 -9.097 -3.143 -2.006 1.00 0.00 C ATOM 129 C GLU A 9 -8.363 -2.011 -2.726 1.00 0.00 C ATOM 130 O GLU A 9 -7.896 -2.187 -3.850 1.00 0.00 O ATOM 131 CB GLU A 9 -10.604 -3.021 -2.251 1.00 0.00 C ATOM 132 CG GLU A 9 -11.267 -4.337 -2.624 1.00 0.00 C ATOM 133 CD GLU A 9 -10.888 -4.806 -4.015 1.00 0.00 C ATOM 134 OE1 GLU A 9 -11.025 -4.012 -4.967 1.00 0.00 O1- ATOM 135 OE2 GLU A 9 -10.453 -5.969 -4.150 1.00 0.00 O ATOM 0 H GLU A 9 -9.630 -2.928 0.011 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.729 -4.085 -2.414 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.079 -2.626 -1.353 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.777 -2.298 -3.048 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.986 -5.100 -1.898 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.350 -4.224 -2.565 1.00 0.00 H new ATOM 142 N LYS A 10 -8.279 -0.849 -2.087 1.00 0.00 N ATOM 143 CA LYS A 10 -7.615 0.307 -2.687 1.00 0.00 C ATOM 144 C LYS A 10 -6.097 0.136 -2.728 1.00 0.00 C ATOM 145 O LYS A 10 -5.437 0.598 -3.659 1.00 0.00 O ATOM 146 CB LYS A 10 -7.981 1.587 -1.926 1.00 0.00 C ATOM 147 CG LYS A 10 -7.517 1.602 -0.479 1.00 0.00 C ATOM 148 CD LYS A 10 -7.028 2.982 -0.064 1.00 0.00 C ATOM 149 CE LYS A 10 -7.762 3.489 1.166 1.00 0.00 C ATOM 150 NZ LYS A 10 -8.061 4.945 1.074 1.00 0.00 N1+ ATOM 0 H LYS A 10 -8.661 -0.681 -1.156 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.966 0.386 -3.716 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.547 2.442 -2.444 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.063 1.715 -1.951 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.337 1.295 0.170 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.715 0.875 -0.345 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.958 2.943 0.140 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.170 3.682 -0.887 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.692 2.934 1.288 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.159 3.298 2.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.562 5.251 1.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.172 5.477 0.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.658 5.125 0.242 1.00 0.00 H new ATOM 164 N VAL A 11 -5.548 -0.517 -1.711 1.00 0.00 N ATOM 165 CA VAL A 11 -4.108 -0.738 -1.620 1.00 0.00 C ATOM 166 C VAL A 11 -3.601 -1.629 -2.753 1.00 0.00 C ATOM 167 O VAL A 11 -2.526 -1.395 -3.305 1.00 0.00 O ATOM 168 CB VAL A 11 -3.741 -1.378 -0.263 1.00 0.00 C ATOM 169 CG1 VAL A 11 -2.243 -1.639 -0.156 1.00 0.00 C ATOM 170 CG2 VAL A 11 -4.212 -0.494 0.882 1.00 0.00 C ATOM 0 H VAL A 11 -6.081 -0.905 -0.933 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.628 0.237 -1.706 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.249 -2.340 -0.198 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.020 -2.090 0.811 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.934 -2.317 -0.952 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.702 -0.698 -0.251 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.947 -0.957 1.832 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.733 0.483 0.808 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.294 -0.373 0.827 1.00 0.00 H new ATOM 180 N LYS A 12 -4.373 -2.656 -3.080 1.00 0.00 N ATOM 181 CA LYS A 12 -4.005 -3.596 -4.133 1.00 0.00 C ATOM 182 C LYS A 12 -4.070 -2.952 -5.506 1.00 0.00 C ATOM 183 O LYS A 12 -3.232 -3.216 -6.366 1.00 0.00 O ATOM 184 CB LYS A 12 -4.909 -4.824 -4.093 1.00 0.00 C ATOM 185 CG LYS A 12 -4.182 -6.119 -4.413 1.00 0.00 C ATOM 186 CD LYS A 12 -4.751 -7.277 -3.616 1.00 0.00 C ATOM 187 CE LYS A 12 -4.461 -8.612 -4.282 1.00 0.00 C ATOM 188 NZ LYS A 12 -5.407 -8.893 -5.396 1.00 0.00 N1+ ATOM 0 H LYS A 12 -5.264 -2.861 -2.628 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.975 -3.902 -3.951 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.358 -4.903 -3.103 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.725 -4.689 -4.803 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.265 -6.332 -5.479 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.121 -6.008 -4.191 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.327 -7.271 -2.612 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.828 -7.150 -3.508 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.440 -8.613 -4.664 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.525 -9.409 -3.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.176 -9.812 -5.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.379 -8.917 -5.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.328 -8.146 -6.115 1.00 0.00 H new ATOM 202 N ALA A 13 -5.068 -2.105 -5.708 1.00 0.00 N ATOM 203 CA ALA A 13 -5.229 -1.430 -6.983 1.00 0.00 C ATOM 204 C ALA A 13 -3.961 -0.664 -7.318 1.00 0.00 C ATOM 205 O ALA A 13 -3.532 -0.619 -8.471 1.00 0.00 O ATOM 206 CB ALA A 13 -6.427 -0.493 -6.944 1.00 0.00 C ATOM 0 H ALA A 13 -5.773 -1.871 -5.009 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.409 -2.174 -7.759 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.532 0.004 -7.908 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.330 -1.065 -6.731 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.279 0.255 -6.165 1.00 0.00 H new ATOM 212 N LEU A 14 -3.345 -0.092 -6.289 1.00 0.00 N ATOM 213 CA LEU A 14 -2.097 0.638 -6.471 1.00 0.00 C ATOM 214 C LEU A 14 -0.963 -0.331 -6.776 1.00 0.00 C ATOM 215 O LEU A 14 -0.011 0.002 -7.472 1.00 0.00 O ATOM 216 CB LEU A 14 -1.756 1.472 -5.237 1.00 0.00 C ATOM 217 CG LEU A 14 -0.882 2.695 -5.521 1.00 0.00 C ATOM 218 CD1 LEU A 14 -1.214 3.831 -4.566 1.00 0.00 C ATOM 219 CD2 LEU A 14 0.596 2.329 -5.435 1.00 0.00 C ATOM 0 H LEU A 14 -3.686 -0.119 -5.328 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.225 1.318 -7.313 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.684 1.804 -4.771 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.245 0.836 -4.514 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.091 3.036 -6.535 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.580 4.689 -4.787 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.260 4.112 -4.685 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.040 3.506 -3.540 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.202 3.212 -5.640 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.821 1.958 -4.435 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.822 1.555 -6.168 1.00 0.00 H new ATOM 231 N GLU A 15 -1.078 -1.536 -6.233 1.00 0.00 N ATOM 232 CA GLU A 15 -0.075 -2.576 -6.420 1.00 0.00 C ATOM 233 C GLU A 15 0.187 -2.849 -7.899 1.00 0.00 C ATOM 234 O GLU A 15 1.319 -3.092 -8.306 1.00 0.00 O ATOM 235 CB GLU A 15 -0.539 -3.860 -5.735 1.00 0.00 C ATOM 236 CG GLU A 15 0.571 -4.867 -5.535 1.00 0.00 C ATOM 237 CD GLU A 15 0.141 -6.285 -5.859 1.00 0.00 C ATOM 238 OE1 GLU A 15 -1.057 -6.596 -5.692 1.00 0.00 O ATOM 239 OE2 GLU A 15 1.002 -7.085 -6.282 1.00 0.00 O1- ATOM 0 H GLU A 15 -1.867 -1.819 -5.652 1.00 0.00 H new ATOM 0 HA GLU A 15 0.857 -2.229 -5.975 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.972 -3.610 -4.766 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.330 -4.316 -6.330 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.419 -4.596 -6.164 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.914 -4.823 -4.501 1.00 0.00 H new ATOM 246 N GLU A 16 -0.878 -2.825 -8.686 1.00 0.00 N ATOM 247 CA GLU A 16 -0.801 -3.084 -10.123 1.00 0.00 C ATOM 248 C GLU A 16 -0.018 -1.999 -10.850 1.00 0.00 C ATOM 249 O GLU A 16 0.687 -2.279 -11.816 1.00 0.00 O ATOM 250 CB GLU A 16 -2.206 -3.195 -10.715 1.00 0.00 C ATOM 251 CG GLU A 16 -3.070 -4.244 -10.035 1.00 0.00 C ATOM 252 CD GLU A 16 -4.331 -4.556 -10.817 1.00 0.00 C ATOM 253 OE1 GLU A 16 -4.311 -4.414 -12.058 1.00 0.00 O ATOM 254 OE2 GLU A 16 -5.339 -4.944 -10.189 1.00 0.00 O1- ATOM 0 H GLU A 16 -1.821 -2.626 -8.351 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.273 -4.028 -10.259 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.700 -2.226 -10.642 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.127 -3.433 -11.776 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.491 -5.159 -9.906 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.342 -3.896 -9.039 1.00 0.00 H new ATOM 261 N LYS A 17 -0.152 -0.762 -10.389 1.00 0.00 N ATOM 262 CA LYS A 17 0.545 0.357 -11.009 1.00 0.00 C ATOM 263 C LYS A 17 2.052 0.256 -10.782 1.00 0.00 C ATOM 264 O LYS A 17 2.845 0.717 -11.603 1.00 0.00 O ATOM 265 CB LYS A 17 0.001 1.697 -10.490 1.00 0.00 C ATOM 266 CG LYS A 17 0.432 2.050 -9.074 1.00 0.00 C ATOM 267 CD LYS A 17 0.947 3.478 -8.982 1.00 0.00 C ATOM 268 CE LYS A 17 -0.067 4.479 -9.517 1.00 0.00 C ATOM 269 NZ LYS A 17 0.328 5.013 -10.850 1.00 0.00 N1+ ATOM 0 H LYS A 17 -0.735 -0.509 -9.591 1.00 0.00 H new ATOM 0 HA LYS A 17 0.363 0.312 -12.083 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.325 2.491 -11.163 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.088 1.671 -10.529 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.411 1.923 -8.395 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.211 1.361 -8.748 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.179 3.715 -7.944 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.877 3.566 -9.544 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.044 4.001 -9.593 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.170 5.304 -8.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.587 6.016 -10.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.142 4.477 -11.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.469 4.920 -11.511 1.00 0.00 H new ATOM 283 N VAL A 18 2.441 -0.340 -9.658 1.00 0.00 N ATOM 284 CA VAL A 18 3.856 -0.488 -9.322 1.00 0.00 C ATOM 285 C VAL A 18 4.554 -1.490 -10.239 1.00 0.00 C ATOM 286 O VAL A 18 5.644 -1.225 -10.745 1.00 0.00 O ATOM 287 CB VAL A 18 4.043 -0.934 -7.860 1.00 0.00 C ATOM 288 CG1 VAL A 18 5.511 -0.878 -7.468 1.00 0.00 C ATOM 289 CG2 VAL A 18 3.201 -0.077 -6.928 1.00 0.00 C ATOM 0 H VAL A 18 1.800 -0.727 -8.966 1.00 0.00 H new ATOM 0 HA VAL A 18 4.309 0.494 -9.460 1.00 0.00 H new ATOM 0 HB VAL A 18 3.706 -1.967 -7.769 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.623 -1.197 -6.432 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.086 -1.540 -8.116 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.878 0.143 -7.575 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.346 -0.407 -5.899 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.503 0.966 -7.020 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.149 -0.175 -7.195 1.00 0.00 H new ATOM 299 N LYS A 19 3.920 -2.639 -10.452 1.00 0.00 N ATOM 300 CA LYS A 19 4.481 -3.675 -11.311 1.00 0.00 C ATOM 301 C LYS A 19 4.510 -3.211 -12.763 1.00 0.00 C ATOM 302 O LYS A 19 5.295 -3.707 -13.572 1.00 0.00 O ATOM 303 CB LYS A 19 3.667 -4.966 -11.185 1.00 0.00 C ATOM 304 CG LYS A 19 4.383 -6.062 -10.410 1.00 0.00 C ATOM 305 CD LYS A 19 5.268 -6.903 -11.319 1.00 0.00 C ATOM 306 CE LYS A 19 6.741 -6.700 -11.008 1.00 0.00 C ATOM 307 NZ LYS A 19 7.554 -7.896 -11.365 1.00 0.00 N1+ ATOM 0 H LYS A 19 3.017 -2.876 -10.041 1.00 0.00 H new ATOM 0 HA LYS A 19 5.504 -3.871 -10.991 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.721 -4.743 -10.692 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.428 -5.334 -12.183 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.990 -5.615 -9.623 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.649 -6.703 -9.922 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.013 -7.956 -11.203 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.076 -6.641 -12.359 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.111 -5.833 -11.555 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.861 -6.483 -9.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.553 -7.717 -11.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.218 -8.718 -10.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.460 -8.089 -12.383 1.00 0.00 H new ATOM 321 N ALA A 20 3.650 -2.249 -13.082 1.00 0.00 N ATOM 322 CA ALA A 20 3.571 -1.703 -14.427 1.00 0.00 C ATOM 323 C ALA A 20 4.608 -0.600 -14.632 1.00 0.00 C ATOM 324 O ALA A 20 4.846 -0.159 -15.757 1.00 0.00 O ATOM 325 CB ALA A 20 2.168 -1.175 -14.690 1.00 0.00 C ATOM 0 H ALA A 20 2.995 -1.831 -12.421 1.00 0.00 H new ATOM 0 HA ALA A 20 3.788 -2.500 -15.138 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.116 -0.767 -15.700 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.449 -1.988 -14.589 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.933 -0.391 -13.970 1.00 0.00 H new ATOM 331 N LEU A 21 5.228 -0.163 -13.536 1.00 0.00 N ATOM 332 CA LEU A 21 6.242 0.881 -13.591 1.00 0.00 C ATOM 333 C LEU A 21 7.511 0.367 -14.263 1.00 0.00 C ATOM 334 O LEU A 21 8.240 1.125 -14.902 1.00 0.00 O ATOM 335 CB LEU A 21 6.565 1.371 -12.175 1.00 0.00 C ATOM 336 CG LEU A 21 6.704 2.889 -12.010 1.00 0.00 C ATOM 337 CD1 LEU A 21 7.511 3.215 -10.762 1.00 0.00 C ATOM 338 CD2 LEU A 21 7.350 3.516 -13.238 1.00 0.00 C ATOM 0 H LEU A 21 5.043 -0.519 -12.598 1.00 0.00 H new ATOM 0 HA LEU A 21 5.850 1.711 -14.180 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.782 1.022 -11.502 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.495 0.903 -11.852 1.00 0.00 H new ATOM 0 HG LEU A 21 5.705 3.310 -11.901 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.601 4.296 -10.659 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.007 2.808 -9.886 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.505 2.775 -10.846 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.436 4.593 -13.094 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.342 3.089 -13.385 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.735 3.316 -14.115 1.00 0.00 H new ATOM 350 N GLY A 22 7.770 -0.929 -14.109 1.00 0.00 N ATOM 351 CA GLY A 22 8.951 -1.528 -14.701 1.00 0.00 C ATOM 352 C GLY A 22 9.463 -2.709 -13.899 1.00 0.00 C ATOM 353 O GLY A 22 8.979 -3.830 -14.053 1.00 0.00 O ATOM 0 H GLY A 22 7.181 -1.575 -13.583 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.721 -1.853 -15.715 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.737 -0.776 -14.778 1.00 0.00 H new ATOM 357 N GLY A 23 10.443 -2.456 -13.036 1.00 0.00 N ATOM 358 CA GLY A 23 11.004 -3.516 -12.218 1.00 0.00 C ATOM 359 C GLY A 23 12.462 -3.782 -12.534 1.00 0.00 C ATOM 360 O GLY A 23 12.785 -4.725 -13.256 1.00 0.00 O ATOM 0 H GLY A 23 10.858 -1.536 -12.889 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.906 -3.249 -11.166 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.430 -4.430 -12.370 1.00 0.00 H new ATOM 364 N GLY A 24 13.345 -2.949 -11.992 1.00 0.00 N ATOM 365 CA GLY A 24 14.765 -3.118 -12.234 1.00 0.00 C ATOM 366 C GLY A 24 15.616 -2.665 -11.063 1.00 0.00 C ATOM 367 O GLY A 24 16.776 -2.293 -11.241 1.00 0.00 O ATOM 0 H GLY A 24 13.103 -2.162 -11.391 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.971 -4.168 -12.443 1.00 0.00 H new ATOM 0 HA3 GLY A 24 15.048 -2.554 -13.123 1.00 0.00 H new ATOM 371 N GLY A 25 15.042 -2.697 -9.866 1.00 0.00 N ATOM 372 CA GLY A 25 15.777 -2.286 -8.683 1.00 0.00 C ATOM 373 C GLY A 25 14.972 -1.369 -7.782 1.00 0.00 C ATOM 374 O GLY A 25 14.694 -1.707 -6.632 1.00 0.00 O ATOM 0 H GLY A 25 14.083 -2.999 -9.693 1.00 0.00 H new ATOM 0 HA2 GLY A 25 16.076 -3.171 -8.120 1.00 0.00 H new ATOM 0 HA3 GLY A 25 16.692 -1.778 -8.987 1.00 0.00 H new ATOM 378 N ARG A 26 14.601 -0.204 -8.302 1.00 0.00 N ATOM 379 CA ARG A 26 13.829 0.764 -7.530 1.00 0.00 C ATOM 380 C ARG A 26 12.361 0.364 -7.451 1.00 0.00 C ATOM 381 O ARG A 26 11.761 0.390 -6.381 1.00 0.00 O ATOM 382 CB ARG A 26 13.954 2.162 -8.145 1.00 0.00 C ATOM 383 CG ARG A 26 13.545 2.228 -9.609 1.00 0.00 C ATOM 384 CD ARG A 26 13.676 3.638 -10.163 1.00 0.00 C ATOM 385 NE ARG A 26 15.010 4.194 -9.942 1.00 0.00 N ATOM 386 CZ ARG A 26 15.358 5.435 -10.273 1.00 0.00 C ATOM 387 NH1 ARG A 26 14.477 6.252 -10.838 1.00 0.00 N1+ ATOM 388 NH2 ARG A 26 16.592 5.861 -10.040 1.00 0.00 N ATOM 0 H ARG A 26 14.822 0.093 -9.253 1.00 0.00 H new ATOM 0 HA ARG A 26 14.235 0.780 -6.519 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.338 2.856 -7.574 1.00 0.00 H new ATOM 0 HB3 ARG A 26 14.986 2.499 -8.050 1.00 0.00 H new ATOM 0 HG2 ARG A 26 14.166 1.548 -10.192 1.00 0.00 H new ATOM 0 HG3 ARG A 26 12.515 1.889 -9.715 1.00 0.00 H new ATOM 0 HD2 ARG A 26 13.460 3.629 -11.231 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.933 4.282 -9.693 1.00 0.00 H new ATOM 0 HE ARG A 26 15.714 3.596 -9.509 1.00 0.00 H new ATOM 0 HH11 ARG A 26 13.527 5.930 -11.021 1.00 0.00 H new ATOM 0 HH12 ARG A 26 14.750 7.202 -11.089 1.00 0.00 H new ATOM 0 HH21 ARG A 26 17.274 5.238 -9.607 1.00 0.00 H new ATOM 0 HH22 ARG A 26 16.860 6.812 -10.293 1.00 0.00 H new ATOM 402 N ILE A 27 11.787 0.010 -8.594 1.00 0.00 N ATOM 403 CA ILE A 27 10.384 -0.386 -8.673 1.00 0.00 C ATOM 404 C ILE A 27 10.111 -1.712 -7.959 1.00 0.00 C ATOM 405 O ILE A 27 9.043 -1.900 -7.378 1.00 0.00 O ATOM 406 CB ILE A 27 9.922 -0.507 -10.137 1.00 0.00 C ATOM 407 CG1 ILE A 27 10.333 0.737 -10.930 1.00 0.00 C ATOM 408 CG2 ILE A 27 8.415 -0.709 -10.204 1.00 0.00 C ATOM 409 CD1 ILE A 27 9.903 0.700 -12.381 1.00 0.00 C ATOM 0 H ILE A 27 12.277 -0.011 -9.489 1.00 0.00 H new ATOM 0 HA ILE A 27 9.821 0.400 -8.171 1.00 0.00 H new ATOM 0 HB ILE A 27 10.406 -1.376 -10.583 1.00 0.00 H new ATOM 0 HG12 ILE A 27 9.903 1.619 -10.455 1.00 0.00 H new ATOM 0 HG13 ILE A 27 11.417 0.846 -10.883 1.00 0.00 H new ATOM 0 HG21 ILE A 27 8.105 -0.793 -11.246 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.146 -1.621 -9.671 1.00 0.00 H new ATOM 0 HG23 ILE A 27 7.913 0.142 -9.743 1.00 0.00 H new ATOM 0 HD11 ILE A 27 10.228 1.613 -12.880 1.00 0.00 H new ATOM 0 HD12 ILE A 27 10.354 -0.162 -12.872 1.00 0.00 H new ATOM 0 HD13 ILE A 27 8.817 0.623 -12.437 1.00 0.00 H new ATOM 421 N GLU A 28 11.063 -2.637 -8.033 1.00 0.00 N ATOM 422 CA GLU A 28 10.907 -3.959 -7.420 1.00 0.00 C ATOM 423 C GLU A 28 10.842 -3.894 -5.894 1.00 0.00 C ATOM 424 O GLU A 28 10.076 -4.626 -5.268 1.00 0.00 O ATOM 425 CB GLU A 28 12.055 -4.876 -7.849 1.00 0.00 C ATOM 426 CG GLU A 28 13.422 -4.393 -7.391 1.00 0.00 C ATOM 427 CD GLU A 28 14.524 -5.389 -7.696 1.00 0.00 C ATOM 428 OE1 GLU A 28 14.937 -5.477 -8.871 1.00 0.00 O1- ATOM 429 OE2 GLU A 28 14.974 -6.082 -6.759 1.00 0.00 O ATOM 0 H GLU A 28 11.953 -2.499 -8.511 1.00 0.00 H new ATOM 0 HA GLU A 28 9.957 -4.362 -7.770 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.879 -5.875 -7.450 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.054 -4.962 -8.936 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.650 -3.444 -7.877 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.396 -4.203 -6.318 1.00 0.00 H new ATOM 436 N GLU A 29 11.656 -3.034 -5.299 1.00 0.00 N ATOM 437 CA GLU A 29 11.693 -2.896 -3.844 1.00 0.00 C ATOM 438 C GLU A 29 10.439 -2.207 -3.309 1.00 0.00 C ATOM 439 O GLU A 29 9.931 -2.557 -2.244 1.00 0.00 O ATOM 440 CB GLU A 29 12.937 -2.113 -3.419 1.00 0.00 C ATOM 441 CG GLU A 29 13.039 -0.739 -4.061 1.00 0.00 C ATOM 442 CD GLU A 29 14.212 0.065 -3.534 1.00 0.00 C ATOM 443 OE1 GLU A 29 15.367 -0.304 -3.833 1.00 0.00 O1- ATOM 444 OE2 GLU A 29 13.975 1.064 -2.822 1.00 0.00 O ATOM 0 H GLU A 29 12.300 -2.420 -5.798 1.00 0.00 H new ATOM 0 HA GLU A 29 11.731 -3.899 -3.420 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.932 -1.999 -2.335 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.825 -2.691 -3.674 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.137 -0.853 -5.141 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.116 -0.188 -3.881 1.00 0.00 H new ATOM 451 N LEU A 30 9.965 -1.212 -4.044 1.00 0.00 N ATOM 452 CA LEU A 30 8.793 -0.443 -3.653 1.00 0.00 C ATOM 453 C LEU A 30 7.563 -1.332 -3.468 1.00 0.00 C ATOM 454 O LEU A 30 6.842 -1.209 -2.479 1.00 0.00 O ATOM 455 CB LEU A 30 8.521 0.608 -4.728 1.00 0.00 C ATOM 456 CG LEU A 30 8.242 2.020 -4.216 1.00 0.00 C ATOM 457 CD1 LEU A 30 9.529 2.672 -3.734 1.00 0.00 C ATOM 458 CD2 LEU A 30 7.597 2.855 -5.311 1.00 0.00 C ATOM 0 H LEU A 30 10.381 -0.915 -4.927 1.00 0.00 H new ATOM 0 HA LEU A 30 8.993 0.033 -2.693 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.380 0.647 -5.398 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.668 0.281 -5.322 1.00 0.00 H new ATOM 0 HG LEU A 30 7.553 1.959 -3.374 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.314 3.678 -3.372 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.957 2.079 -2.925 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.240 2.727 -4.558 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.402 3.860 -4.936 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.268 2.912 -6.168 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.658 2.393 -5.615 1.00 0.00 H new ATOM 470 N LYS A 31 7.329 -2.221 -4.426 1.00 0.00 N ATOM 471 CA LYS A 31 6.182 -3.126 -4.366 1.00 0.00 C ATOM 472 C LYS A 31 6.308 -4.115 -3.215 1.00 0.00 C ATOM 473 O LYS A 31 5.308 -4.502 -2.618 1.00 0.00 O ATOM 474 CB LYS A 31 5.969 -3.878 -5.684 1.00 0.00 C ATOM 475 CG LYS A 31 7.224 -4.061 -6.524 1.00 0.00 C ATOM 476 CD LYS A 31 7.197 -5.376 -7.288 1.00 0.00 C ATOM 477 CE LYS A 31 8.150 -6.393 -6.682 1.00 0.00 C ATOM 478 NZ LYS A 31 7.992 -7.740 -7.298 1.00 0.00 N1+ ATOM 0 H LYS A 31 7.915 -2.336 -5.253 1.00 0.00 H new ATOM 0 HA LYS A 31 5.307 -2.500 -4.191 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.551 -4.860 -5.462 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.227 -3.342 -6.276 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.317 -3.233 -7.227 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.102 -4.032 -5.879 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.184 -5.779 -7.285 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.467 -5.199 -8.329 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.177 -6.052 -6.814 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.973 -6.462 -5.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.660 -8.404 -6.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.019 -8.078 -7.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.186 -7.680 -8.318 1.00 0.00 H new ATOM 492 N LYS A 32 7.534 -4.535 -2.916 1.00 0.00 N ATOM 493 CA LYS A 32 7.764 -5.494 -1.839 1.00 0.00 C ATOM 494 C LYS A 32 7.188 -4.973 -0.526 1.00 0.00 C ATOM 495 O LYS A 32 6.592 -5.726 0.245 1.00 0.00 O ATOM 496 CB LYS A 32 9.261 -5.768 -1.680 1.00 0.00 C ATOM 497 CG LYS A 32 9.753 -6.948 -2.504 1.00 0.00 C ATOM 498 CD LYS A 32 11.246 -7.169 -2.321 1.00 0.00 C ATOM 499 CE LYS A 32 11.688 -8.498 -2.913 1.00 0.00 C ATOM 500 NZ LYS A 32 12.734 -9.156 -2.083 1.00 0.00 N1+ ATOM 0 H LYS A 32 8.378 -4.229 -3.400 1.00 0.00 H new ATOM 0 HA LYS A 32 7.260 -6.425 -2.097 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.818 -4.876 -1.968 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.479 -5.954 -0.628 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.212 -7.848 -2.212 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.536 -6.773 -3.558 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.796 -6.357 -2.796 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.492 -7.142 -1.259 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.826 -9.160 -3.003 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.072 -8.337 -3.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.008 -10.059 -2.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 13.567 -8.536 -2.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 12.359 -9.334 -1.129 1.00 0.00 H new ATOM 514 N LYS A 33 7.350 -3.677 -0.289 1.00 0.00 N ATOM 515 CA LYS A 33 6.828 -3.050 0.917 1.00 0.00 C ATOM 516 C LYS A 33 5.303 -3.066 0.899 1.00 0.00 C ATOM 517 O LYS A 33 4.656 -3.214 1.937 1.00 0.00 O ATOM 518 CB LYS A 33 7.336 -1.611 1.035 1.00 0.00 C ATOM 519 CG LYS A 33 6.837 -0.889 2.277 1.00 0.00 C ATOM 520 CD LYS A 33 7.827 -1.004 3.425 1.00 0.00 C ATOM 521 CE LYS A 33 8.880 0.092 3.366 1.00 0.00 C ATOM 522 NZ LYS A 33 8.283 1.446 3.536 1.00 0.00 N1+ ATOM 0 H LYS A 33 7.839 -3.040 -0.917 1.00 0.00 H new ATOM 0 HA LYS A 33 7.178 -3.615 1.781 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.426 -1.619 1.043 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.028 -1.052 0.151 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.669 0.163 2.045 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.877 -1.306 2.580 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.294 -0.947 4.374 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.313 -1.979 3.391 1.00 0.00 H new ATOM 0 HE2 LYS A 33 9.624 -0.077 4.145 1.00 0.00 H new ATOM 0 HE3 LYS A 33 9.402 0.043 2.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 8.998 2.094 3.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.958 1.800 2.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.476 1.390 4.189 1.00 0.00 H new ATOM 536 N TYR A 34 4.737 -2.907 -0.294 1.00 0.00 N ATOM 537 CA TYR A 34 3.289 -2.894 -0.470 1.00 0.00 C ATOM 538 C TYR A 34 2.648 -4.172 0.068 1.00 0.00 C ATOM 539 O TYR A 34 1.562 -4.131 0.640 1.00 0.00 O ATOM 540 CB TYR A 34 2.935 -2.711 -1.950 1.00 0.00 C ATOM 541 CG TYR A 34 2.104 -1.480 -2.218 1.00 0.00 C ATOM 542 CD1 TYR A 34 0.800 -1.385 -1.752 1.00 0.00 C ATOM 543 CD2 TYR A 34 2.626 -0.410 -2.933 1.00 0.00 C ATOM 544 CE1 TYR A 34 0.040 -0.258 -1.990 1.00 0.00 C ATOM 545 CE2 TYR A 34 1.871 0.720 -3.176 1.00 0.00 C ATOM 546 CZ TYR A 34 0.579 0.790 -2.701 1.00 0.00 C ATOM 547 OH TYR A 34 -0.175 1.915 -2.934 1.00 0.00 O ATOM 0 H TYR A 34 5.264 -2.785 -1.159 1.00 0.00 H new ATOM 0 HA TYR A 34 2.893 -2.054 0.100 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.855 -2.653 -2.532 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.392 -3.590 -2.298 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.374 -2.206 -1.195 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.639 -0.463 -3.305 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.973 -0.199 -1.620 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.290 1.544 -3.735 1.00 0.00 H new ATOM 0 HH TYR A 34 0.379 2.713 -2.805 1.00 0.00 H new ATOM 557 N GLU A 35 3.321 -5.306 -0.119 1.00 0.00 N ATOM 558 CA GLU A 35 2.805 -6.589 0.349 1.00 0.00 C ATOM 559 C GLU A 35 2.526 -6.548 1.849 1.00 0.00 C ATOM 560 O GLU A 35 1.492 -7.032 2.312 1.00 0.00 O ATOM 561 CB GLU A 35 3.799 -7.708 0.035 1.00 0.00 C ATOM 562 CG GLU A 35 3.860 -8.072 -1.441 1.00 0.00 C ATOM 563 CD GLU A 35 3.730 -9.563 -1.680 1.00 0.00 C ATOM 564 OE1 GLU A 35 4.274 -10.345 -0.873 1.00 0.00 O ATOM 565 OE2 GLU A 35 3.082 -9.950 -2.676 1.00 0.00 O1- ATOM 0 H GLU A 35 4.224 -5.361 -0.591 1.00 0.00 H new ATOM 0 HA GLU A 35 1.869 -6.788 -0.172 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.792 -7.404 0.367 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.528 -8.595 0.608 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.063 -7.552 -1.973 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.804 -7.722 -1.859 1.00 0.00 H new ATOM 572 N GLU A 36 3.452 -5.962 2.599 1.00 0.00 N ATOM 573 CA GLU A 36 3.308 -5.847 4.045 1.00 0.00 C ATOM 574 C GLU A 36 2.029 -5.097 4.403 1.00 0.00 C ATOM 575 O GLU A 36 1.359 -5.423 5.382 1.00 0.00 O ATOM 576 CB GLU A 36 4.522 -5.130 4.644 1.00 0.00 C ATOM 577 CG GLU A 36 5.057 -5.790 5.904 1.00 0.00 C ATOM 578 CD GLU A 36 5.960 -4.872 6.705 1.00 0.00 C ATOM 579 OE1 GLU A 36 6.472 -3.890 6.128 1.00 0.00 O ATOM 580 OE2 GLU A 36 6.155 -5.135 7.910 1.00 0.00 O1- ATOM 0 H GLU A 36 4.312 -5.558 2.228 1.00 0.00 H new ATOM 0 HA GLU A 36 3.248 -6.852 4.463 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.316 -5.093 3.898 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.249 -4.099 4.871 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.221 -6.105 6.528 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.609 -6.690 5.632 1.00 0.00 H new ATOM 587 N LEU A 37 1.709 -4.086 3.606 1.00 0.00 N ATOM 588 CA LEU A 37 0.520 -3.269 3.826 1.00 0.00 C ATOM 589 C LEU A 37 -0.753 -4.111 3.808 1.00 0.00 C ATOM 590 O LEU A 37 -1.627 -3.948 4.658 1.00 0.00 O ATOM 591 CB LEU A 37 0.443 -2.194 2.739 1.00 0.00 C ATOM 592 CG LEU A 37 0.542 -0.749 3.226 1.00 0.00 C ATOM 593 CD1 LEU A 37 -0.821 -0.238 3.666 1.00 0.00 C ATOM 594 CD2 LEU A 37 1.554 -0.623 4.356 1.00 0.00 C ATOM 0 H LEU A 37 2.261 -3.809 2.794 1.00 0.00 H new ATOM 0 HA LEU A 37 0.598 -2.807 4.810 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.244 -2.372 2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.498 -2.313 2.202 1.00 0.00 H new ATOM 0 HG LEU A 37 0.887 -0.135 2.395 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.730 0.792 4.009 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.514 -0.281 2.826 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.197 -0.859 4.479 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.605 0.415 4.684 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.247 -1.253 5.191 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.535 -0.941 4.003 1.00 0.00 H new ATOM 606 N LYS A 38 -0.852 -4.997 2.829 1.00 0.00 N ATOM 607 CA LYS A 38 -2.019 -5.862 2.685 1.00 0.00 C ATOM 608 C LYS A 38 -2.244 -6.719 3.929 1.00 0.00 C ATOM 609 O LYS A 38 -3.381 -6.941 4.340 1.00 0.00 O ATOM 610 CB LYS A 38 -1.860 -6.762 1.459 1.00 0.00 C ATOM 611 CG LYS A 38 -1.507 -6.004 0.190 1.00 0.00 C ATOM 612 CD LYS A 38 -2.146 -6.641 -1.035 1.00 0.00 C ATOM 613 CE LYS A 38 -1.321 -6.390 -2.287 1.00 0.00 C ATOM 614 NZ LYS A 38 -1.310 -7.573 -3.192 1.00 0.00 N1+ ATOM 0 H LYS A 38 -0.135 -5.138 2.117 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.890 -5.220 2.557 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.084 -7.501 1.659 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.788 -7.311 1.298 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.839 -4.970 0.278 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.424 -5.982 0.067 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.250 -7.714 -0.876 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.150 -6.240 -1.173 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.724 -5.529 -2.820 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.299 -6.140 -2.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.366 -7.254 -4.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.431 -8.110 -3.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.126 -8.181 -2.978 1.00 0.00 H new ATOM 628 N LYS A 39 -1.156 -7.214 4.507 1.00 0.00 N ATOM 629 CA LYS A 39 -1.225 -8.068 5.691 1.00 0.00 C ATOM 630 C LYS A 39 -1.820 -7.341 6.900 1.00 0.00 C ATOM 631 O LYS A 39 -2.544 -7.941 7.692 1.00 0.00 O ATOM 632 CB LYS A 39 0.170 -8.594 6.038 1.00 0.00 C ATOM 633 CG LYS A 39 0.425 -10.011 5.548 1.00 0.00 C ATOM 634 CD LYS A 39 1.649 -10.618 6.213 1.00 0.00 C ATOM 635 CE LYS A 39 1.427 -12.081 6.559 1.00 0.00 C ATOM 636 NZ LYS A 39 1.866 -12.985 5.461 1.00 0.00 N1+ ATOM 0 H LYS A 39 -0.208 -7.038 4.173 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.887 -8.900 5.451 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.918 -7.929 5.606 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.302 -8.563 7.119 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.447 -10.631 5.754 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.563 -10.004 4.467 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.508 -10.527 5.549 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.886 -10.061 7.119 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.973 -12.325 7.470 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.370 -12.248 6.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.698 -13.973 5.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.327 -12.770 4.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.880 -12.844 5.280 1.00 0.00 H new ATOM 650 N LYS A 40 -1.490 -6.062 7.055 1.00 0.00 N ATOM 651 CA LYS A 40 -1.976 -5.273 8.188 1.00 0.00 C ATOM 652 C LYS A 40 -3.493 -5.090 8.153 1.00 0.00 C ATOM 653 O LYS A 40 -4.171 -5.257 9.167 1.00 0.00 O ATOM 654 CB LYS A 40 -1.291 -3.904 8.207 1.00 0.00 C ATOM 655 CG LYS A 40 -0.924 -3.426 9.603 1.00 0.00 C ATOM 656 CD LYS A 40 -0.151 -2.120 9.558 1.00 0.00 C ATOM 657 CE LYS A 40 1.216 -2.302 8.918 1.00 0.00 C ATOM 658 NZ LYS A 40 2.260 -1.483 9.593 1.00 0.00 N1+ ATOM 0 H LYS A 40 -0.888 -5.548 6.412 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.729 -5.823 9.096 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.388 -3.951 7.599 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.950 -3.171 7.743 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.831 -3.293 10.193 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.326 -4.187 10.104 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.720 -1.378 8.997 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.031 -1.732 10.570 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.498 -3.354 8.958 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.163 -2.026 7.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.177 -1.636 9.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.004 -0.477 9.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.329 -1.763 10.592 1.00 0.00 H new ATOM 672 N ILE A 41 -4.018 -4.744 6.985 1.00 0.00 N ATOM 673 CA ILE A 41 -5.453 -4.535 6.818 1.00 0.00 C ATOM 674 C ILE A 41 -6.223 -5.806 7.147 1.00 0.00 C ATOM 675 O ILE A 41 -7.324 -5.758 7.695 1.00 0.00 O ATOM 676 CB ILE A 41 -5.792 -4.091 5.380 1.00 0.00 C ATOM 677 CG1 ILE A 41 -4.965 -2.864 4.992 1.00 0.00 C ATOM 678 CG2 ILE A 41 -7.279 -3.795 5.247 1.00 0.00 C ATOM 679 CD1 ILE A 41 -4.671 -2.778 3.511 1.00 0.00 C ATOM 0 H ILE A 41 -3.471 -4.601 6.136 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.748 -3.744 7.507 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.543 -4.906 4.700 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.497 -1.964 5.301 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.023 -2.882 5.541 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.498 -3.483 4.226 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.851 -4.692 5.483 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.554 -2.997 5.937 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.081 -1.884 3.308 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.111 -3.660 3.199 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.608 -2.728 2.956 1.00 0.00 H new ATOM 691 N GLU A 42 -5.624 -6.940 6.817 1.00 0.00 N ATOM 692 CA GLU A 42 -6.228 -8.235 7.081 1.00 0.00 C ATOM 693 C GLU A 42 -6.344 -8.464 8.582 1.00 0.00 C ATOM 694 O GLU A 42 -7.284 -9.103 9.055 1.00 0.00 O ATOM 695 CB GLU A 42 -5.395 -9.348 6.436 1.00 0.00 C ATOM 696 CG GLU A 42 -6.022 -9.922 5.176 1.00 0.00 C ATOM 697 CD GLU A 42 -6.053 -11.438 5.177 1.00 0.00 C ATOM 698 OE1 GLU A 42 -5.117 -12.051 5.732 1.00 0.00 O1- ATOM 699 OE2 GLU A 42 -7.014 -12.012 4.622 1.00 0.00 O ATOM 0 H GLU A 42 -4.712 -6.988 6.362 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.228 -8.251 6.647 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.406 -8.958 6.195 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.253 -10.151 7.160 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.039 -9.542 5.075 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.464 -9.575 4.307 1.00 0.00 H new ATOM 706 N GLU A 43 -5.375 -7.938 9.323 1.00 0.00 N ATOM 707 CA GLU A 43 -5.358 -8.081 10.774 1.00 0.00 C ATOM 708 C GLU A 43 -6.358 -7.135 11.429 1.00 0.00 C ATOM 709 O GLU A 43 -6.913 -7.437 12.486 1.00 0.00 O ATOM 710 CB GLU A 43 -3.953 -7.814 11.317 1.00 0.00 C ATOM 711 CG GLU A 43 -3.073 -9.054 11.362 1.00 0.00 C ATOM 712 CD GLU A 43 -2.475 -9.296 12.734 1.00 0.00 C ATOM 713 OE1 GLU A 43 -1.698 -8.439 13.203 1.00 0.00 O ATOM 714 OE2 GLU A 43 -2.785 -10.343 13.340 1.00 0.00 O1- ATOM 0 H GLU A 43 -4.591 -7.408 8.942 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.645 -9.104 11.015 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.470 -7.058 10.697 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.033 -7.399 12.322 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.661 -9.923 11.068 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.270 -8.951 10.633 1.00 0.00 H new ATOM 721 N LEU A 44 -6.585 -5.990 10.794 1.00 0.00 N ATOM 722 CA LEU A 44 -7.520 -5.000 11.315 1.00 0.00 C ATOM 723 C LEU A 44 -8.920 -5.590 11.452 1.00 0.00 C ATOM 724 O LEU A 44 -9.462 -6.155 10.501 1.00 0.00 O ATOM 725 CB LEU A 44 -7.555 -3.773 10.398 1.00 0.00 C ATOM 726 CG LEU A 44 -6.694 -2.596 10.859 1.00 0.00 C ATOM 727 CD1 LEU A 44 -6.407 -1.659 9.696 1.00 0.00 C ATOM 728 CD2 LEU A 44 -7.378 -1.848 11.993 1.00 0.00 C ATOM 0 H LEU A 44 -6.134 -5.725 9.918 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.178 -4.697 12.305 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.230 -4.073 9.402 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.587 -3.435 10.308 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.745 -2.986 11.228 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.793 -0.827 10.042 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.876 -2.202 8.914 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.346 -1.276 9.297 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.751 -1.014 12.309 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.341 -1.469 11.650 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.532 -2.524 12.834 1.00 0.00 H new ATOM 740 N GLY A 45 -9.501 -5.456 12.640 1.00 0.00 N ATOM 741 CA GLY A 45 -10.832 -5.981 12.878 1.00 0.00 C ATOM 742 C GLY A 45 -11.921 -5.006 12.475 1.00 0.00 C ATOM 743 O GLY A 45 -12.833 -5.359 11.729 1.00 0.00 O ATOM 0 H GLY A 45 -9.073 -4.993 13.442 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.957 -6.910 12.323 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -10.940 -6.224 13.935 1.00 0.00 H new ATOM 747 N GLY A 46 -11.824 -3.777 12.971 1.00 0.00 N ATOM 748 CA GLY A 46 -12.815 -2.768 12.647 1.00 0.00 C ATOM 749 C GLY A 46 -12.489 -1.418 13.255 1.00 0.00 C ATOM 750 O GLY A 46 -12.671 -1.210 14.455 1.00 0.00 O ATOM 0 H GLY A 46 -11.078 -3.462 13.591 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -12.886 -2.668 11.564 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -13.792 -3.096 13.001 1.00 0.00 H new ATOM 754 N GLY A 47 -12.009 -0.498 12.425 1.00 0.00 N ATOM 755 CA GLY A 47 -11.665 0.828 12.904 1.00 0.00 C ATOM 756 C GLY A 47 -10.466 0.818 13.832 1.00 0.00 C ATOM 757 O GLY A 47 -10.034 -0.240 14.289 1.00 0.00 O ATOM 0 H GLY A 47 -11.852 -0.647 11.428 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.456 1.475 12.052 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.521 1.255 13.426 1.00 0.00 H new ATOM 761 N GLY A 48 -9.927 2.000 14.109 1.00 0.00 N ATOM 762 CA GLY A 48 -8.775 2.104 14.985 1.00 0.00 C ATOM 763 C GLY A 48 -7.486 2.341 14.224 1.00 0.00 C ATOM 764 O GLY A 48 -7.054 3.482 14.061 1.00 0.00 O ATOM 0 H GLY A 48 -10.268 2.889 13.742 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.932 2.920 15.691 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.684 1.189 15.571 1.00 0.00 H new ATOM 768 N GLU A 49 -6.869 1.260 13.757 1.00 0.00 N ATOM 769 CA GLU A 49 -5.622 1.354 13.007 1.00 0.00 C ATOM 770 C GLU A 49 -5.884 1.535 11.512 1.00 0.00 C ATOM 771 O GLU A 49 -4.961 1.799 10.742 1.00 0.00 O ATOM 772 CB GLU A 49 -4.772 0.102 13.239 1.00 0.00 C ATOM 773 CG GLU A 49 -3.436 0.129 12.514 1.00 0.00 C ATOM 774 CD GLU A 49 -2.412 -0.796 13.143 1.00 0.00 C ATOM 775 OE1 GLU A 49 -2.061 -0.579 14.321 1.00 0.00 O1- ATOM 776 OE2 GLU A 49 -1.961 -1.737 12.456 1.00 0.00 O ATOM 0 H GLU A 49 -7.213 0.308 13.885 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.081 2.230 13.365 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.593 -0.012 14.308 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -5.334 -0.774 12.914 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.586 -0.156 11.473 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.048 1.148 12.513 1.00 0.00 H new ATOM 783 N VAL A 50 -7.144 1.389 11.104 1.00 0.00 N ATOM 784 CA VAL A 50 -7.516 1.536 9.701 1.00 0.00 C ATOM 785 C VAL A 50 -7.044 2.874 9.139 1.00 0.00 C ATOM 786 O VAL A 50 -6.598 2.954 7.995 1.00 0.00 O ATOM 787 CB VAL A 50 -9.040 1.424 9.510 1.00 0.00 C ATOM 788 CG1 VAL A 50 -9.514 0.011 9.814 1.00 0.00 C ATOM 789 CG2 VAL A 50 -9.765 2.437 10.382 1.00 0.00 C ATOM 0 H VAL A 50 -7.922 1.169 11.726 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.026 0.726 9.160 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.274 1.645 8.468 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.593 -0.049 9.674 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.021 -0.691 9.141 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.268 -0.241 10.845 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -10.841 2.342 10.233 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.526 2.252 11.429 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.449 3.444 10.110 1.00 0.00 H new ATOM 799 N LYS A 51 -7.143 3.921 9.951 1.00 0.00 N ATOM 800 CA LYS A 51 -6.723 5.254 9.532 1.00 0.00 C ATOM 801 C LYS A 51 -5.209 5.315 9.356 1.00 0.00 C ATOM 802 O LYS A 51 -4.704 5.997 8.464 1.00 0.00 O ATOM 803 CB LYS A 51 -7.170 6.298 10.558 1.00 0.00 C ATOM 804 CG LYS A 51 -8.620 6.727 10.397 1.00 0.00 C ATOM 805 CD LYS A 51 -9.558 5.843 11.206 1.00 0.00 C ATOM 806 CE LYS A 51 -10.493 6.666 12.079 1.00 0.00 C ATOM 807 NZ LYS A 51 -10.619 6.099 13.450 1.00 0.00 N1+ ATOM 0 H LYS A 51 -7.510 3.873 10.902 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.193 5.472 8.573 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.028 5.894 11.560 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.529 7.175 10.474 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -8.731 7.764 10.715 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.898 6.685 9.344 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.145 5.221 10.530 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.973 5.170 11.833 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.123 7.689 12.142 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.478 6.711 11.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.265 6.690 14.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.996 5.132 13.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.684 6.079 13.905 1.00 0.00 H new ATOM 821 N LYS A 52 -4.493 4.597 10.212 1.00 0.00 N ATOM 822 CA LYS A 52 -3.036 4.565 10.157 1.00 0.00 C ATOM 823 C LYS A 52 -2.550 3.851 8.899 1.00 0.00 C ATOM 824 O LYS A 52 -1.513 4.200 8.339 1.00 0.00 O ATOM 825 CB LYS A 52 -2.473 3.872 11.400 1.00 0.00 C ATOM 826 CG LYS A 52 -2.607 4.697 12.670 1.00 0.00 C ATOM 827 CD LYS A 52 -2.773 3.815 13.895 1.00 0.00 C ATOM 828 CE LYS A 52 -3.766 4.409 14.879 1.00 0.00 C ATOM 829 NZ LYS A 52 -4.277 3.390 15.838 1.00 0.00 N1+ ATOM 0 H LYS A 52 -4.898 4.027 10.955 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.678 5.594 10.128 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.986 2.920 11.539 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.420 3.645 11.234 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.725 5.326 12.791 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.465 5.364 12.582 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.111 2.825 13.589 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.808 3.685 14.384 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.290 5.219 15.431 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.602 4.844 14.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.231 3.657 16.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.314 2.462 15.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.643 3.339 16.661 1.00 0.00 H new ATOM 843 N VAL A 53 -3.304 2.844 8.468 1.00 0.00 N ATOM 844 CA VAL A 53 -2.954 2.070 7.280 1.00 0.00 C ATOM 845 C VAL A 53 -3.036 2.913 6.010 1.00 0.00 C ATOM 846 O VAL A 53 -2.210 2.767 5.115 1.00 0.00 O ATOM 847 CB VAL A 53 -3.874 0.839 7.127 1.00 0.00 C ATOM 848 CG1 VAL A 53 -3.503 0.030 5.892 1.00 0.00 C ATOM 849 CG2 VAL A 53 -3.815 -0.026 8.378 1.00 0.00 C ATOM 0 H VAL A 53 -4.165 2.544 8.925 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.924 1.740 7.416 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.897 1.192 6.999 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.166 -0.831 5.808 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.605 0.654 5.004 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.472 -0.313 5.978 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.469 -0.889 8.255 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.792 -0.366 8.538 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.142 0.557 9.239 1.00 0.00 H new ATOM 859 N GLU A 54 -4.039 3.781 5.929 1.00 0.00 N ATOM 860 CA GLU A 54 -4.221 4.632 4.754 1.00 0.00 C ATOM 861 C GLU A 54 -3.001 5.518 4.515 1.00 0.00 C ATOM 862 O GLU A 54 -2.615 5.763 3.373 1.00 0.00 O ATOM 863 CB GLU A 54 -5.469 5.501 4.916 1.00 0.00 C ATOM 864 CG GLU A 54 -6.734 4.706 5.194 1.00 0.00 C ATOM 865 CD GLU A 54 -7.933 5.595 5.463 1.00 0.00 C ATOM 866 OE1 GLU A 54 -8.092 6.043 6.618 1.00 0.00 O ATOM 867 OE2 GLU A 54 -8.712 5.843 4.519 1.00 0.00 O1- ATOM 0 H GLU A 54 -4.738 3.915 6.660 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.345 3.981 3.889 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.307 6.206 5.731 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.612 6.089 4.010 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.948 4.061 4.342 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.569 4.055 6.053 1.00 0.00 H new ATOM 874 N GLU A 55 -2.404 6.001 5.598 1.00 0.00 N ATOM 875 CA GLU A 55 -1.229 6.864 5.511 1.00 0.00 C ATOM 876 C GLU A 55 -0.007 6.086 5.032 1.00 0.00 C ATOM 877 O GLU A 55 0.835 6.612 4.305 1.00 0.00 O ATOM 878 CB GLU A 55 -0.939 7.500 6.873 1.00 0.00 C ATOM 879 CG GLU A 55 -2.164 8.116 7.529 1.00 0.00 C ATOM 880 CD GLU A 55 -1.806 9.072 8.650 1.00 0.00 C ATOM 881 OE1 GLU A 55 -0.788 9.784 8.520 1.00 0.00 O ATOM 882 OE2 GLU A 55 -2.544 9.110 9.657 1.00 0.00 O1- ATOM 0 H GLU A 55 -2.715 5.810 6.551 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.442 7.648 4.784 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.523 6.742 7.537 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.177 8.270 6.751 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.747 8.647 6.776 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.799 7.322 7.922 1.00 0.00 H new ATOM 889 N GLU A 56 0.089 4.837 5.464 1.00 0.00 N ATOM 890 CA GLU A 56 1.210 3.975 5.111 1.00 0.00 C ATOM 891 C GLU A 56 1.344 3.798 3.597 1.00 0.00 C ATOM 892 O GLU A 56 2.447 3.836 3.056 1.00 0.00 O ATOM 893 CB GLU A 56 1.024 2.610 5.776 1.00 0.00 C ATOM 894 CG GLU A 56 1.759 2.469 7.096 1.00 0.00 C ATOM 895 CD GLU A 56 3.223 2.121 6.917 1.00 0.00 C ATOM 896 OE1 GLU A 56 3.782 2.435 5.844 1.00 0.00 O1- ATOM 897 OE2 GLU A 56 3.813 1.533 7.848 1.00 0.00 O ATOM 0 H GLU A 56 -0.604 4.393 6.066 1.00 0.00 H new ATOM 0 HA GLU A 56 2.125 4.449 5.467 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.040 2.439 5.942 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.369 1.833 5.093 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.677 3.402 7.654 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.277 1.696 7.695 1.00 0.00 H new ATOM 904 N VAL A 57 0.220 3.586 2.926 1.00 0.00 N ATOM 905 CA VAL A 57 0.213 3.383 1.481 1.00 0.00 C ATOM 906 C VAL A 57 0.504 4.675 0.714 1.00 0.00 C ATOM 907 O VAL A 57 1.147 4.649 -0.334 1.00 0.00 O ATOM 908 CB VAL A 57 -1.133 2.787 1.008 1.00 0.00 C ATOM 909 CG1 VAL A 57 -2.182 3.874 0.809 1.00 0.00 C ATOM 910 CG2 VAL A 57 -0.938 1.984 -0.269 1.00 0.00 C ATOM 0 H VAL A 57 -0.702 3.550 3.360 1.00 0.00 H new ATOM 0 HA VAL A 57 1.013 2.675 1.264 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.497 2.117 1.787 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.116 3.422 0.476 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.347 4.397 1.751 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.834 4.582 0.057 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.895 1.571 -0.589 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.544 2.633 -1.051 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.236 1.171 -0.084 1.00 0.00 H new ATOM 920 N LYS A 58 0.014 5.798 1.231 1.00 0.00 N ATOM 921 CA LYS A 58 0.213 7.090 0.578 1.00 0.00 C ATOM 922 C LYS A 58 1.696 7.374 0.336 1.00 0.00 C ATOM 923 O LYS A 58 2.059 8.006 -0.654 1.00 0.00 O ATOM 924 CB LYS A 58 -0.427 8.215 1.402 1.00 0.00 C ATOM 925 CG LYS A 58 0.416 8.692 2.578 1.00 0.00 C ATOM 926 CD LYS A 58 0.927 10.107 2.362 1.00 0.00 C ATOM 927 CE LYS A 58 -0.077 11.142 2.844 1.00 0.00 C ATOM 928 NZ LYS A 58 -0.078 11.266 4.328 1.00 0.00 N1+ ATOM 0 H LYS A 58 -0.522 5.841 2.098 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.278 7.049 -0.395 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.625 9.062 0.745 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.391 7.871 1.777 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.178 8.654 3.491 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.260 8.017 2.719 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.870 10.239 2.892 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.132 10.263 1.303 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.157 12.109 2.399 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.075 10.867 2.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.659 12.082 4.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.471 10.400 4.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.896 11.403 4.666 1.00 0.00 H new ATOM 942 N LYS A 59 2.545 6.915 1.246 1.00 0.00 N ATOM 943 CA LYS A 59 3.984 7.127 1.123 1.00 0.00 C ATOM 944 C LYS A 59 4.573 6.332 -0.045 1.00 0.00 C ATOM 945 O LYS A 59 5.480 6.800 -0.732 1.00 0.00 O ATOM 946 CB LYS A 59 4.692 6.760 2.434 1.00 0.00 C ATOM 947 CG LYS A 59 4.970 5.272 2.599 1.00 0.00 C ATOM 948 CD LYS A 59 4.964 4.862 4.064 1.00 0.00 C ATOM 949 CE LYS A 59 6.372 4.606 4.576 1.00 0.00 C ATOM 950 NZ LYS A 59 7.067 5.871 4.943 1.00 0.00 N1+ ATOM 0 H LYS A 59 2.264 6.394 2.077 1.00 0.00 H new ATOM 0 HA LYS A 59 4.147 8.185 0.917 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.636 7.303 2.488 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.081 7.099 3.271 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.219 4.698 2.057 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.936 5.030 2.157 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.496 5.645 4.660 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.361 3.963 4.189 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.329 3.950 5.445 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.947 4.084 3.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 8.024 5.654 5.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.131 6.487 4.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.532 6.357 5.691 1.00 0.00 H new ATOM 964 N LEU A 60 4.065 5.118 -0.244 1.00 0.00 N ATOM 965 CA LEU A 60 4.554 4.238 -1.305 1.00 0.00 C ATOM 966 C LEU A 60 4.384 4.852 -2.696 1.00 0.00 C ATOM 967 O LEU A 60 5.299 4.801 -3.517 1.00 0.00 O ATOM 968 CB LEU A 60 3.818 2.897 -1.241 1.00 0.00 C ATOM 969 CG LEU A 60 4.684 1.666 -1.505 1.00 0.00 C ATOM 970 CD1 LEU A 60 5.134 1.630 -2.958 1.00 0.00 C ATOM 971 CD2 LEU A 60 5.885 1.648 -0.573 1.00 0.00 C ATOM 0 H LEU A 60 3.312 4.719 0.317 1.00 0.00 H new ATOM 0 HA LEU A 60 5.622 4.091 -1.141 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.363 2.797 -0.255 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.005 2.912 -1.967 1.00 0.00 H new ATOM 0 HG LEU A 60 4.085 0.777 -1.310 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.750 0.746 -3.126 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.260 1.593 -3.609 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.715 2.525 -3.181 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.490 0.764 -0.776 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.485 2.543 -0.735 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.542 1.624 0.461 1.00 0.00 H new ATOM 983 N GLU A 61 3.214 5.422 -2.958 1.00 0.00 N ATOM 984 CA GLU A 61 2.937 6.031 -4.259 1.00 0.00 C ATOM 985 C GLU A 61 3.762 7.298 -4.467 1.00 0.00 C ATOM 986 O GLU A 61 4.162 7.610 -5.587 1.00 0.00 O ATOM 987 CB GLU A 61 1.444 6.341 -4.406 1.00 0.00 C ATOM 988 CG GLU A 61 0.881 7.205 -3.291 1.00 0.00 C ATOM 989 CD GLU A 61 0.997 8.687 -3.586 1.00 0.00 C ATOM 990 OE1 GLU A 61 1.057 9.053 -4.779 1.00 0.00 O1- ATOM 991 OE2 GLU A 61 1.029 9.483 -2.624 1.00 0.00 O ATOM 0 H GLU A 61 2.443 5.477 -2.292 1.00 0.00 H new ATOM 0 HA GLU A 61 3.223 5.311 -5.026 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.280 6.843 -5.359 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.890 5.403 -4.440 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.167 6.951 -3.134 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.406 6.981 -2.363 1.00 0.00 H new ATOM 998 N GLU A 62 4.008 8.023 -3.383 1.00 0.00 N ATOM 999 CA GLU A 62 4.781 9.260 -3.443 1.00 0.00 C ATOM 1000 C GLU A 62 6.161 9.009 -4.040 1.00 0.00 C ATOM 1001 O GLU A 62 6.670 9.819 -4.814 1.00 0.00 O ATOM 1002 CB GLU A 62 4.920 9.867 -2.045 1.00 0.00 C ATOM 1003 CG GLU A 62 3.853 10.901 -1.723 1.00 0.00 C ATOM 1004 CD GLU A 62 4.198 12.279 -2.253 1.00 0.00 C ATOM 1005 OE1 GLU A 62 5.038 12.369 -3.172 1.00 0.00 O1- ATOM 1006 OE2 GLU A 62 3.627 13.269 -1.747 1.00 0.00 O ATOM 0 H GLU A 62 3.683 7.776 -2.448 1.00 0.00 H new ATOM 0 HA GLU A 62 4.249 9.962 -4.085 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.875 9.068 -1.305 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.902 10.330 -1.955 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.902 10.580 -2.147 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.718 10.954 -0.643 1.00 0.00 H new ATOM 1013 N GLU A 63 6.758 7.880 -3.679 1.00 0.00 N ATOM 1014 CA GLU A 63 8.075 7.516 -4.182 1.00 0.00 C ATOM 1015 C GLU A 63 8.008 7.182 -5.666 1.00 0.00 C ATOM 1016 O GLU A 63 8.959 7.417 -6.411 1.00 0.00 O ATOM 1017 CB GLU A 63 8.634 6.322 -3.407 1.00 0.00 C ATOM 1018 CG GLU A 63 8.507 6.459 -1.900 1.00 0.00 C ATOM 1019 CD GLU A 63 9.260 7.658 -1.357 1.00 0.00 C ATOM 1020 OE1 GLU A 63 9.025 8.780 -1.852 1.00 0.00 O ATOM 1021 OE2 GLU A 63 10.085 7.474 -0.439 1.00 0.00 O1- ATOM 0 H GLU A 63 6.349 7.200 -3.038 1.00 0.00 H new ATOM 0 HA GLU A 63 8.738 8.370 -4.043 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.115 5.418 -3.726 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.685 6.193 -3.664 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.453 6.546 -1.634 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.882 5.553 -1.424 1.00 0.00 H new ATOM 1028 N ILE A 64 6.878 6.622 -6.087 1.00 0.00 N ATOM 1029 CA ILE A 64 6.686 6.241 -7.484 1.00 0.00 C ATOM 1030 C ILE A 64 6.874 7.432 -8.423 1.00 0.00 C ATOM 1031 O ILE A 64 7.564 7.328 -9.437 1.00 0.00 O ATOM 1032 CB ILE A 64 5.287 5.632 -7.716 1.00 0.00 C ATOM 1033 CG1 ILE A 64 5.036 4.486 -6.733 1.00 0.00 C ATOM 1034 CG2 ILE A 64 5.151 5.144 -9.152 1.00 0.00 C ATOM 1035 CD1 ILE A 64 3.705 3.795 -6.935 1.00 0.00 C ATOM 0 H ILE A 64 6.082 6.422 -5.482 1.00 0.00 H new ATOM 0 HA ILE A 64 7.444 5.490 -7.707 1.00 0.00 H new ATOM 0 HB ILE A 64 4.538 6.405 -7.544 1.00 0.00 H new ATOM 0 HG12 ILE A 64 5.836 3.752 -6.832 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.084 4.874 -5.716 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.159 4.717 -9.299 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.291 5.981 -9.836 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.906 4.383 -9.351 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.596 2.994 -6.203 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.898 4.516 -6.807 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.661 3.376 -7.940 1.00 0.00 H new ATOM 1047 N LYS A 65 6.254 8.558 -8.088 1.00 0.00 N ATOM 1048 CA LYS A 65 6.358 9.758 -8.913 1.00 0.00 C ATOM 1049 C LYS A 65 7.769 10.334 -8.863 1.00 0.00 C ATOM 1050 O LYS A 65 8.245 10.923 -9.834 1.00 0.00 O ATOM 1051 CB LYS A 65 5.338 10.808 -8.458 1.00 0.00 C ATOM 1052 CG LYS A 65 5.732 11.537 -7.181 1.00 0.00 C ATOM 1053 CD LYS A 65 4.550 11.698 -6.239 1.00 0.00 C ATOM 1054 CE LYS A 65 4.011 13.120 -6.259 1.00 0.00 C ATOM 1055 NZ LYS A 65 5.003 14.098 -5.732 1.00 0.00 N1+ ATOM 0 H LYS A 65 5.676 8.666 -7.254 1.00 0.00 H new ATOM 0 HA LYS A 65 6.140 9.480 -9.944 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.203 11.539 -9.255 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.374 10.322 -8.305 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.526 10.986 -6.678 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.134 12.519 -7.431 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.759 11.004 -6.524 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.853 11.437 -5.225 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.741 13.391 -7.280 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.099 13.171 -5.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.515 14.975 -5.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.480 13.695 -4.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.708 14.308 -6.467 1.00 0.00 H new ATOM 1069 N LYS A 66 8.433 10.160 -7.725 1.00 0.00 N ATOM 1070 CA LYS A 66 9.791 10.662 -7.548 1.00 0.00 C ATOM 1071 C LYS A 66 10.782 9.894 -8.420 1.00 0.00 C ATOM 1072 O LYS A 66 11.892 10.363 -8.671 1.00 0.00 O ATOM 1073 CB LYS A 66 10.205 10.562 -6.079 1.00 0.00 C ATOM 1074 CG LYS A 66 9.596 11.642 -5.200 1.00 0.00 C ATOM 1075 CD LYS A 66 10.558 12.078 -4.106 1.00 0.00 C ATOM 1076 CE LYS A 66 11.578 13.076 -4.628 1.00 0.00 C ATOM 1077 NZ LYS A 66 11.193 14.480 -4.316 1.00 0.00 N1+ ATOM 0 H LYS A 66 8.053 9.675 -6.912 1.00 0.00 H new ATOM 0 HA LYS A 66 9.804 11.708 -7.855 1.00 0.00 H new ATOM 0 HB2 LYS A 66 9.914 9.585 -5.694 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.291 10.620 -6.012 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.326 12.502 -5.813 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.676 11.270 -4.750 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.998 12.524 -3.284 1.00 0.00 H new ATOM 0 HD3 LYS A 66 11.073 11.206 -3.704 1.00 0.00 H new ATOM 0 HE2 LYS A 66 12.553 12.861 -4.190 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.681 12.959 -5.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.915 15.129 -4.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.275 14.694 -4.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 11.120 14.599 -3.285 1.00 0.00 H new ATOM 1091 N LEU A 67 10.378 8.711 -8.879 1.00 0.00 N ATOM 1092 CA LEU A 67 11.237 7.886 -9.720 1.00 0.00 C ATOM 1093 C LEU A 67 10.719 7.847 -11.156 1.00 0.00 C ATOM 1094 O LEU A 67 11.413 7.269 -12.019 1.00 0.00 O ATOM 1095 CB LEU A 67 11.336 6.467 -9.144 1.00 0.00 C ATOM 1096 CG LEU A 67 10.264 5.482 -9.618 1.00 0.00 C ATOM 1097 CD1 LEU A 67 10.670 4.842 -10.937 1.00 0.00 C ATOM 1098 CD2 LEU A 67 10.014 4.418 -8.560 1.00 0.00 C ATOM 1099 OXT LEU A 67 9.623 8.394 -11.405 1.00 0.00 O ATOM 0 H LEU A 67 9.463 8.305 -8.682 1.00 0.00 H new ATOM 0 HA LEU A 67 12.233 8.329 -9.734 1.00 0.00 H new ATOM 0 HB2 LEU A 67 12.315 6.060 -9.397 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.289 6.532 -8.057 1.00 0.00 H new ATOM 0 HG LEU A 67 9.337 6.033 -9.777 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.895 4.145 -11.257 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.797 5.616 -11.693 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.610 4.305 -10.807 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.249 3.726 -8.913 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.937 3.871 -8.368 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.676 4.893 -7.639 1.00 0.00 H new TER 1111 LEU A 67