USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 829 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 37 TYR OH : rot 150:sc= 1.08 USER MOD Set 1.2: A 69 SER OG : rot -132:sc= 1.2 USER MOD Single : A 1 MET CE :methyl 144:sc= -1.17 (180deg=-1.96!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 61:sc= 0.23 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -146:sc= 0.512 (180deg=-1.17) USER MOD Single : A 23 LYS NZ :NH3+ 157:sc= 0.709 (180deg=0.397) USER MOD Single : A 34 GLN : amide:sc= 0.708 K(o=0.71,f=-0.14) USER MOD Single : A 35 LYS NZ :NH3+ 174:sc=-0.00127 (180deg=-0.0521) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 39 ASN : amide:sc= -0.286 X(o=-0.29,f=0) USER MOD Single : A 41 THR OG1 : rot -170:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 74:sc= 0.482 USER MOD Single : A 58 LYS NZ :NH3+ -177:sc= 0.625 (180deg=0.617) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.244 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 163:sc= -0.0351 (180deg=-0.3) USER MOD Single : A 72 LYS NZ :NH3+ 164:sc= -0.0447 (180deg=-0.264) USER MOD Single : A 84 LYS NZ :NH3+ -111:sc= 0.36 (180deg=0.0179) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 78:sc= 0.0326 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -88:sc= 0.705 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.810 -4.913 20.892 1.00 41.24 N ATOM 2 CA MET A 1 -4.564 -4.096 19.679 1.00 40.14 C ATOM 3 C MET A 1 -3.251 -4.565 19.026 1.00 22.52 C ATOM 4 O MET A 1 -2.216 -4.615 19.696 1.00 5.23 O ATOM 5 CB MET A 1 -4.524 -2.584 20.047 1.00 21.12 C ATOM 6 CG MET A 1 -4.421 -1.630 18.846 1.00 44.32 C ATOM 7 SD MET A 1 -4.513 0.111 19.327 1.00 53.15 S ATOM 8 CE MET A 1 -4.727 0.917 17.736 1.00 3.34 C ATOM 0 H1 MET A 1 -5.695 -4.606 21.344 1.00 41.24 H new ATOM 0 H2 MET A 1 -4.886 -5.915 20.626 1.00 41.24 H new ATOM 0 H3 MET A 1 -4.021 -4.791 21.559 1.00 41.24 H new ATOM 0 HA MET A 1 -5.375 -4.228 18.962 1.00 40.14 H new ATOM 0 HB2 MET A 1 -5.423 -2.338 20.612 1.00 21.12 H new ATOM 0 HB3 MET A 1 -3.675 -2.408 20.707 1.00 21.12 H new ATOM 0 HG2 MET A 1 -3.481 -1.809 18.324 1.00 44.32 H new ATOM 0 HG3 MET A 1 -5.223 -1.851 18.142 1.00 44.32 H new ATOM 0 HE1 MET A 1 -5.392 1.773 17.848 1.00 3.34 H new ATOM 0 HE2 MET A 1 -3.759 1.256 17.367 1.00 3.34 H new ATOM 0 HE3 MET A 1 -5.160 0.212 17.026 1.00 3.34 H new ATOM 20 N LEU A 2 -3.303 -4.917 17.727 1.00 24.31 N ATOM 21 CA LEU A 2 -2.178 -5.568 17.010 1.00 14.51 C ATOM 22 C LEU A 2 -1.722 -4.743 15.799 1.00 62.03 C ATOM 23 O LEU A 2 -2.448 -3.873 15.311 1.00 53.44 O ATOM 24 CB LEU A 2 -2.561 -7.038 16.619 1.00 10.15 C ATOM 25 CG LEU A 2 -3.943 -7.271 15.893 1.00 20.31 C ATOM 26 CD1 LEU A 2 -3.947 -6.757 14.436 1.00 51.20 C ATOM 27 CD2 LEU A 2 -4.360 -8.760 15.954 1.00 22.23 C ATOM 0 H LEU A 2 -4.123 -4.760 17.141 1.00 24.31 H new ATOM 0 HA LEU A 2 -1.323 -5.615 17.684 1.00 14.51 H new ATOM 0 HB2 LEU A 2 -1.774 -7.429 15.974 1.00 10.15 H new ATOM 0 HB3 LEU A 2 -2.555 -7.639 17.529 1.00 10.15 H new ATOM 0 HG LEU A 2 -4.682 -6.681 16.436 1.00 20.31 H new ATOM 0 HD11 LEU A 2 -4.922 -6.944 13.987 1.00 51.20 H new ATOM 0 HD12 LEU A 2 -3.743 -5.686 14.427 1.00 51.20 H new ATOM 0 HD13 LEU A 2 -3.179 -7.278 13.864 1.00 51.20 H new ATOM 0 HD21 LEU A 2 -5.316 -8.891 15.446 1.00 22.23 H new ATOM 0 HD22 LEU A 2 -3.602 -9.371 15.464 1.00 22.23 H new ATOM 0 HD23 LEU A 2 -4.457 -9.068 16.995 1.00 22.23 H new ATOM 39 N THR A 3 -0.492 -5.005 15.343 1.00 64.10 N ATOM 40 CA THR A 3 0.085 -4.368 14.156 1.00 13.14 C ATOM 41 C THR A 3 0.533 -5.459 13.160 1.00 0.35 C ATOM 42 O THR A 3 1.354 -6.319 13.504 1.00 31.34 O ATOM 43 CB THR A 3 1.290 -3.458 14.559 1.00 33.11 C ATOM 44 OG1 THR A 3 0.925 -2.632 15.677 1.00 1.35 O ATOM 45 CG2 THR A 3 1.737 -2.556 13.404 1.00 54.44 C ATOM 0 H THR A 3 0.136 -5.671 15.792 1.00 64.10 H new ATOM 0 HA THR A 3 -0.667 -3.738 13.680 1.00 13.14 H new ATOM 0 HB THR A 3 2.119 -4.115 14.823 1.00 33.11 H new ATOM 0 HG1 THR A 3 1.684 -2.065 15.926 1.00 1.35 H new ATOM 0 HG21 THR A 3 2.576 -1.940 13.727 1.00 54.44 H new ATOM 0 HG22 THR A 3 2.043 -3.172 12.559 1.00 54.44 H new ATOM 0 HG23 THR A 3 0.910 -1.913 13.104 1.00 54.44 H new ATOM 53 N VAL A 4 -0.035 -5.428 11.943 1.00 51.50 N ATOM 54 CA VAL A 4 0.261 -6.406 10.878 1.00 43.41 C ATOM 55 C VAL A 4 1.254 -5.815 9.850 1.00 12.34 C ATOM 56 O VAL A 4 1.032 -4.729 9.302 1.00 14.22 O ATOM 57 CB VAL A 4 -1.067 -6.891 10.169 1.00 12.11 C ATOM 58 CG1 VAL A 4 -1.898 -5.704 9.630 1.00 1.34 C ATOM 59 CG2 VAL A 4 -0.782 -7.937 9.056 1.00 64.01 C ATOM 0 H VAL A 4 -0.716 -4.721 11.667 1.00 51.50 H new ATOM 0 HA VAL A 4 0.730 -7.275 11.339 1.00 43.41 H new ATOM 0 HB VAL A 4 -1.667 -7.387 10.932 1.00 12.11 H new ATOM 0 HG11 VAL A 4 -2.802 -6.080 9.151 1.00 1.34 H new ATOM 0 HG12 VAL A 4 -2.172 -5.047 10.456 1.00 1.34 H new ATOM 0 HG13 VAL A 4 -1.307 -5.146 8.903 1.00 1.34 H new ATOM 0 HG21 VAL A 4 -1.721 -8.243 8.595 1.00 64.01 H new ATOM 0 HG22 VAL A 4 -0.133 -7.496 8.299 1.00 64.01 H new ATOM 0 HG23 VAL A 4 -0.291 -8.807 9.492 1.00 64.01 H new ATOM 69 N GLU A 5 2.370 -6.517 9.641 1.00 31.03 N ATOM 70 CA GLU A 5 3.350 -6.190 8.604 1.00 54.32 C ATOM 71 C GLU A 5 3.091 -7.072 7.379 1.00 63.20 C ATOM 72 O GLU A 5 3.185 -8.302 7.457 1.00 22.31 O ATOM 73 CB GLU A 5 4.814 -6.411 9.096 1.00 45.01 C ATOM 74 CG GLU A 5 5.277 -5.491 10.254 1.00 44.03 C ATOM 75 CD GLU A 5 4.592 -5.773 11.601 1.00 54.22 C ATOM 76 OE1 GLU A 5 4.860 -6.834 12.195 1.00 2.05 O ATOM 77 OE2 GLU A 5 3.784 -4.941 12.069 1.00 4.24 O ATOM 0 H GLU A 5 2.621 -7.337 10.193 1.00 31.03 H new ATOM 0 HA GLU A 5 3.238 -5.135 8.353 1.00 54.32 H new ATOM 0 HB2 GLU A 5 4.918 -7.448 9.416 1.00 45.01 H new ATOM 0 HB3 GLU A 5 5.488 -6.269 8.251 1.00 45.01 H new ATOM 0 HG2 GLU A 5 6.355 -5.598 10.379 1.00 44.03 H new ATOM 0 HG3 GLU A 5 5.090 -4.454 9.975 1.00 44.03 H new ATOM 84 N VAL A 6 2.733 -6.436 6.263 1.00 11.22 N ATOM 85 CA VAL A 6 2.682 -7.070 4.943 1.00 42.13 C ATOM 86 C VAL A 6 3.689 -6.340 4.025 1.00 34.21 C ATOM 87 O VAL A 6 3.634 -5.116 3.847 1.00 3.30 O ATOM 88 CB VAL A 6 1.214 -7.065 4.349 1.00 71.03 C ATOM 89 CG1 VAL A 6 0.622 -5.643 4.285 1.00 55.23 C ATOM 90 CG2 VAL A 6 1.152 -7.765 2.967 1.00 21.33 C ATOM 0 H VAL A 6 2.466 -5.452 6.249 1.00 11.22 H new ATOM 0 HA VAL A 6 2.961 -8.121 5.022 1.00 42.13 H new ATOM 0 HB VAL A 6 0.594 -7.641 5.036 1.00 71.03 H new ATOM 0 HG11 VAL A 6 -0.386 -5.687 3.871 1.00 55.23 H new ATOM 0 HG12 VAL A 6 0.584 -5.219 5.288 1.00 55.23 H new ATOM 0 HG13 VAL A 6 1.248 -5.016 3.650 1.00 55.23 H new ATOM 0 HG21 VAL A 6 0.129 -7.741 2.593 1.00 21.33 H new ATOM 0 HG22 VAL A 6 1.807 -7.246 2.267 1.00 21.33 H new ATOM 0 HG23 VAL A 6 1.477 -8.800 3.069 1.00 21.33 H new ATOM 100 N GLU A 7 4.655 -7.100 3.503 1.00 55.41 N ATOM 101 CA GLU A 7 5.683 -6.593 2.596 1.00 3.34 C ATOM 102 C GLU A 7 5.232 -6.839 1.150 1.00 32.12 C ATOM 103 O GLU A 7 5.105 -7.988 0.708 1.00 14.01 O ATOM 104 CB GLU A 7 7.036 -7.274 2.887 1.00 51.33 C ATOM 105 CG GLU A 7 8.186 -6.798 1.978 1.00 25.33 C ATOM 106 CD GLU A 7 9.520 -7.453 2.336 1.00 14.34 C ATOM 107 OE1 GLU A 7 9.797 -8.566 1.850 1.00 64.12 O ATOM 108 OE2 GLU A 7 10.276 -6.882 3.142 1.00 64.31 O ATOM 0 H GLU A 7 4.745 -8.096 3.702 1.00 55.41 H new ATOM 0 HA GLU A 7 5.818 -5.522 2.746 1.00 3.34 H new ATOM 0 HB2 GLU A 7 7.308 -7.089 3.926 1.00 51.33 H new ATOM 0 HB3 GLU A 7 6.920 -8.352 2.775 1.00 51.33 H new ATOM 0 HG2 GLU A 7 7.941 -7.022 0.940 1.00 25.33 H new ATOM 0 HG3 GLU A 7 8.283 -5.715 2.056 1.00 25.33 H new ATOM 115 N VAL A 8 4.946 -5.746 0.447 1.00 74.41 N ATOM 116 CA VAL A 8 4.478 -5.754 -0.935 1.00 22.55 C ATOM 117 C VAL A 8 5.668 -5.422 -1.865 1.00 21.52 C ATOM 118 O VAL A 8 6.127 -4.280 -1.918 1.00 4.13 O ATOM 119 CB VAL A 8 3.319 -4.696 -1.090 1.00 41.22 C ATOM 120 CG1 VAL A 8 2.696 -4.739 -2.495 1.00 72.14 C ATOM 121 CG2 VAL A 8 2.248 -4.889 0.018 1.00 1.32 C ATOM 0 H VAL A 8 5.036 -4.806 0.833 1.00 74.41 H new ATOM 0 HA VAL A 8 4.087 -6.734 -1.207 1.00 22.55 H new ATOM 0 HB VAL A 8 3.753 -3.704 -0.967 1.00 41.22 H new ATOM 0 HG11 VAL A 8 1.901 -3.996 -2.564 1.00 72.14 H new ATOM 0 HG12 VAL A 8 3.462 -4.521 -3.239 1.00 72.14 H new ATOM 0 HG13 VAL A 8 2.283 -5.731 -2.680 1.00 72.14 H new ATOM 0 HG21 VAL A 8 1.457 -4.149 -0.107 1.00 1.32 H new ATOM 0 HG22 VAL A 8 1.823 -5.890 -0.057 1.00 1.32 H new ATOM 0 HG23 VAL A 8 2.711 -4.764 0.997 1.00 1.32 H new ATOM 131 N LYS A 9 6.173 -6.436 -2.581 1.00 14.13 N ATOM 132 CA LYS A 9 7.329 -6.305 -3.478 1.00 3.11 C ATOM 133 C LYS A 9 6.828 -5.975 -4.903 1.00 33.21 C ATOM 134 O LYS A 9 6.351 -6.848 -5.631 1.00 0.21 O ATOM 135 CB LYS A 9 8.145 -7.630 -3.438 1.00 52.23 C ATOM 136 CG LYS A 9 9.435 -7.646 -4.287 1.00 74.33 C ATOM 137 CD LYS A 9 10.129 -9.032 -4.278 1.00 41.24 C ATOM 138 CE LYS A 9 11.433 -9.060 -5.090 1.00 52.13 C ATOM 139 NZ LYS A 9 12.119 -10.382 -5.001 1.00 44.01 N ATOM 0 H LYS A 9 5.786 -7.380 -2.553 1.00 14.13 H new ATOM 0 HA LYS A 9 7.984 -5.494 -3.160 1.00 3.11 H new ATOM 0 HB2 LYS A 9 8.411 -7.841 -2.402 1.00 52.23 H new ATOM 0 HB3 LYS A 9 7.501 -8.443 -3.773 1.00 52.23 H new ATOM 0 HG2 LYS A 9 9.195 -7.369 -5.314 1.00 74.33 H new ATOM 0 HG3 LYS A 9 10.126 -6.894 -3.907 1.00 74.33 H new ATOM 0 HD2 LYS A 9 10.343 -9.317 -3.248 1.00 41.24 H new ATOM 0 HD3 LYS A 9 9.443 -9.778 -4.679 1.00 41.24 H new ATOM 0 HE2 LYS A 9 11.215 -8.834 -6.134 1.00 52.13 H new ATOM 0 HE3 LYS A 9 12.102 -8.279 -4.728 1.00 52.13 H new ATOM 0 HZ1 LYS A 9 12.994 -10.358 -5.563 1.00 44.01 H new ATOM 0 HZ2 LYS A 9 12.351 -10.587 -4.008 1.00 44.01 H new ATOM 0 HZ3 LYS A 9 11.491 -11.124 -5.370 1.00 44.01 H new ATOM 153 N ILE A 10 6.947 -4.704 -5.279 1.00 14.41 N ATOM 154 CA ILE A 10 6.391 -4.145 -6.527 1.00 32.22 C ATOM 155 C ILE A 10 7.478 -4.142 -7.619 1.00 62.30 C ATOM 156 O ILE A 10 8.643 -3.882 -7.323 1.00 33.42 O ATOM 157 CB ILE A 10 5.890 -2.665 -6.284 1.00 14.41 C ATOM 158 CG1 ILE A 10 4.957 -2.607 -5.028 1.00 22.02 C ATOM 159 CG2 ILE A 10 5.186 -2.086 -7.542 1.00 43.30 C ATOM 160 CD1 ILE A 10 4.459 -1.221 -4.647 1.00 3.12 C ATOM 0 H ILE A 10 7.442 -4.011 -4.718 1.00 14.41 H new ATOM 0 HA ILE A 10 5.550 -4.760 -6.846 1.00 32.22 H new ATOM 0 HB ILE A 10 6.761 -2.039 -6.092 1.00 14.41 H new ATOM 0 HG12 ILE A 10 4.094 -3.248 -5.208 1.00 22.02 H new ATOM 0 HG13 ILE A 10 5.494 -3.028 -4.178 1.00 22.02 H new ATOM 0 HG21 ILE A 10 4.855 -1.068 -7.338 1.00 43.30 H new ATOM 0 HG22 ILE A 10 5.884 -2.080 -8.379 1.00 43.30 H new ATOM 0 HG23 ILE A 10 4.324 -2.704 -7.793 1.00 43.30 H new ATOM 0 HD11 ILE A 10 3.822 -1.293 -3.766 1.00 3.12 H new ATOM 0 HD12 ILE A 10 5.310 -0.576 -4.428 1.00 3.12 H new ATOM 0 HD13 ILE A 10 3.888 -0.800 -5.474 1.00 3.12 H new ATOM 172 N THR A 11 7.098 -4.450 -8.869 1.00 73.11 N ATOM 173 CA THR A 11 7.984 -4.320 -10.037 1.00 35.53 C ATOM 174 C THR A 11 7.190 -3.662 -11.191 1.00 0.24 C ATOM 175 O THR A 11 6.137 -4.160 -11.594 1.00 72.43 O ATOM 176 CB THR A 11 8.618 -5.698 -10.457 1.00 20.53 C ATOM 177 OG1 THR A 11 9.518 -5.511 -11.563 1.00 34.15 O ATOM 178 CG2 THR A 11 7.568 -6.781 -10.805 1.00 61.44 C ATOM 0 H THR A 11 6.167 -4.797 -9.099 1.00 73.11 H new ATOM 0 HA THR A 11 8.828 -3.681 -9.777 1.00 35.53 H new ATOM 0 HB THR A 11 9.163 -6.064 -9.587 1.00 20.53 H new ATOM 0 HG1 THR A 11 10.239 -4.902 -11.299 1.00 34.15 H new ATOM 0 HG21 THR A 11 8.076 -7.704 -11.085 1.00 61.44 H new ATOM 0 HG22 THR A 11 6.934 -6.965 -9.938 1.00 61.44 H new ATOM 0 HG23 THR A 11 6.954 -6.438 -11.637 1.00 61.44 H new ATOM 186 N ALA A 12 7.682 -2.508 -11.675 1.00 51.13 N ATOM 187 CA ALA A 12 7.012 -1.698 -12.713 1.00 55.44 C ATOM 188 C ALA A 12 7.956 -1.455 -13.895 1.00 63.32 C ATOM 189 O ALA A 12 9.094 -1.929 -13.888 1.00 45.12 O ATOM 190 CB ALA A 12 6.547 -0.363 -12.110 1.00 53.44 C ATOM 0 H ALA A 12 8.563 -2.106 -11.355 1.00 51.13 H new ATOM 0 HA ALA A 12 6.141 -2.242 -13.080 1.00 55.44 H new ATOM 0 HB1 ALA A 12 6.053 0.231 -12.879 1.00 53.44 H new ATOM 0 HB2 ALA A 12 5.848 -0.555 -11.296 1.00 53.44 H new ATOM 0 HB3 ALA A 12 7.409 0.183 -11.727 1.00 53.44 H new ATOM 196 N ASP A 13 7.469 -0.713 -14.909 1.00 14.12 N ATOM 197 CA ASP A 13 8.282 -0.308 -16.073 1.00 64.30 C ATOM 198 C ASP A 13 9.297 0.766 -15.637 1.00 24.41 C ATOM 199 O ASP A 13 10.454 0.769 -16.071 1.00 71.43 O ATOM 200 CB ASP A 13 7.363 0.204 -17.206 1.00 54.45 C ATOM 201 CG ASP A 13 8.115 0.527 -18.510 1.00 33.14 C ATOM 202 OD1 ASP A 13 8.618 -0.408 -19.159 1.00 14.33 O ATOM 203 OD2 ASP A 13 8.184 1.705 -18.907 1.00 2.11 O ATOM 0 H ASP A 13 6.506 -0.379 -14.945 1.00 14.12 H new ATOM 0 HA ASP A 13 8.835 -1.165 -16.458 1.00 64.30 H new ATOM 0 HB2 ASP A 13 6.601 -0.548 -17.412 1.00 54.45 H new ATOM 0 HB3 ASP A 13 6.843 1.099 -16.865 1.00 54.45 H new ATOM 208 N ASP A 14 8.833 1.653 -14.749 1.00 10.05 N ATOM 209 CA ASP A 14 9.668 2.616 -14.020 1.00 62.32 C ATOM 210 C ASP A 14 9.567 2.317 -12.521 1.00 50.03 C ATOM 211 O ASP A 14 8.494 2.492 -11.928 1.00 11.40 O ATOM 212 CB ASP A 14 9.203 4.070 -14.276 1.00 73.15 C ATOM 213 CG ASP A 14 9.446 4.557 -15.709 1.00 11.31 C ATOM 214 OD1 ASP A 14 10.619 4.811 -16.070 1.00 71.53 O ATOM 215 OD2 ASP A 14 8.468 4.722 -16.473 1.00 31.34 O ATOM 0 H ASP A 14 7.844 1.723 -14.512 1.00 10.05 H new ATOM 0 HA ASP A 14 10.696 2.519 -14.368 1.00 62.32 H new ATOM 0 HB2 ASP A 14 8.139 4.145 -14.053 1.00 73.15 H new ATOM 0 HB3 ASP A 14 9.722 4.734 -13.584 1.00 73.15 H new ATOM 220 N GLU A 15 10.672 1.835 -11.925 1.00 33.54 N ATOM 221 CA GLU A 15 10.759 1.584 -10.477 1.00 53.34 C ATOM 222 C GLU A 15 10.581 2.893 -9.662 1.00 1.01 C ATOM 223 O GLU A 15 9.875 2.906 -8.657 1.00 14.42 O ATOM 224 CB GLU A 15 12.101 0.889 -10.113 1.00 32.53 C ATOM 225 CG GLU A 15 13.360 1.653 -10.578 1.00 50.01 C ATOM 226 CD GLU A 15 14.671 1.052 -10.050 1.00 50.43 C ATOM 227 OE1 GLU A 15 15.060 1.383 -8.919 1.00 4.44 O ATOM 228 OE2 GLU A 15 15.322 0.258 -10.767 1.00 71.22 O ATOM 0 H GLU A 15 11.527 1.609 -12.433 1.00 33.54 H new ATOM 0 HA GLU A 15 9.942 0.913 -10.211 1.00 53.34 H new ATOM 0 HB2 GLU A 15 12.148 0.759 -9.032 1.00 32.53 H new ATOM 0 HB3 GLU A 15 12.112 -0.108 -10.554 1.00 32.53 H new ATOM 0 HG2 GLU A 15 13.387 1.663 -11.668 1.00 50.01 H new ATOM 0 HG3 GLU A 15 13.287 2.690 -10.251 1.00 50.01 H new ATOM 235 N ASN A 16 11.191 4.004 -10.131 1.00 5.31 N ATOM 236 CA ASN A 16 11.117 5.297 -9.420 1.00 10.45 C ATOM 237 C ASN A 16 9.663 5.787 -9.371 1.00 3.12 C ATOM 238 O ASN A 16 9.192 6.208 -8.312 1.00 21.41 O ATOM 239 CB ASN A 16 12.041 6.369 -10.057 1.00 23.31 C ATOM 240 CG ASN A 16 11.941 7.733 -9.346 1.00 11.12 C ATOM 241 OD1 ASN A 16 11.208 8.633 -9.777 1.00 42.42 O ATOM 242 ND2 ASN A 16 12.623 7.875 -8.222 1.00 61.04 N ATOM 0 H ASN A 16 11.736 4.031 -10.993 1.00 5.31 H new ATOM 0 HA ASN A 16 11.474 5.138 -8.403 1.00 10.45 H new ATOM 0 HB2 ASN A 16 13.073 6.020 -10.024 1.00 23.31 H new ATOM 0 HB3 ASN A 16 11.780 6.491 -11.108 1.00 23.31 H new ATOM 0 HD21 ASN A 16 12.552 8.741 -7.688 1.00 61.04 H new ATOM 0 HD22 ASN A 16 13.220 7.118 -7.889 1.00 61.04 H new ATOM 249 N LYS A 17 8.940 5.673 -10.516 1.00 34.30 N ATOM 250 CA LYS A 17 7.520 6.060 -10.577 1.00 0.52 C ATOM 251 C LYS A 17 6.660 5.127 -9.722 1.00 22.21 C ATOM 252 O LYS A 17 5.716 5.587 -9.116 1.00 54.20 O ATOM 253 CB LYS A 17 6.936 6.072 -12.007 1.00 32.21 C ATOM 254 CG LYS A 17 7.603 7.062 -13.000 1.00 45.34 C ATOM 255 CD LYS A 17 6.597 7.697 -14.000 1.00 53.44 C ATOM 256 CE LYS A 17 5.512 6.725 -14.526 1.00 70.25 C ATOM 257 NZ LYS A 17 6.054 5.497 -15.166 1.00 74.40 N ATOM 0 H LYS A 17 9.318 5.320 -11.395 1.00 34.30 H new ATOM 0 HA LYS A 17 7.492 7.080 -10.193 1.00 0.52 H new ATOM 0 HB2 LYS A 17 7.013 5.066 -12.419 1.00 32.21 H new ATOM 0 HB3 LYS A 17 5.874 6.310 -11.944 1.00 32.21 H new ATOM 0 HG2 LYS A 17 8.095 7.855 -12.437 1.00 45.34 H new ATOM 0 HG3 LYS A 17 8.379 6.539 -13.558 1.00 45.34 H new ATOM 0 HD2 LYS A 17 6.106 8.541 -13.515 1.00 53.44 H new ATOM 0 HD3 LYS A 17 7.152 8.096 -14.849 1.00 53.44 H new ATOM 0 HE2 LYS A 17 4.867 6.435 -13.697 1.00 70.25 H new ATOM 0 HE3 LYS A 17 4.887 7.252 -15.247 1.00 70.25 H new ATOM 0 HZ1 LYS A 17 5.430 5.208 -15.946 1.00 74.40 H new ATOM 0 HZ2 LYS A 17 7.006 5.690 -15.538 1.00 74.40 H new ATOM 0 HZ3 LYS A 17 6.106 4.733 -14.463 1.00 74.40 H new ATOM 271 N ALA A 18 6.989 3.813 -9.702 1.00 23.13 N ATOM 272 CA ALA A 18 6.253 2.815 -8.894 1.00 24.34 C ATOM 273 C ALA A 18 6.153 3.281 -7.431 1.00 73.53 C ATOM 274 O ALA A 18 5.067 3.299 -6.842 1.00 2.44 O ATOM 275 CB ALA A 18 6.914 1.429 -8.982 1.00 11.12 C ATOM 0 H ALA A 18 7.762 3.420 -10.239 1.00 23.13 H new ATOM 0 HA ALA A 18 5.245 2.726 -9.300 1.00 24.34 H new ATOM 0 HB1 ALA A 18 6.350 0.718 -8.378 1.00 11.12 H new ATOM 0 HB2 ALA A 18 6.924 1.096 -10.020 1.00 11.12 H new ATOM 0 HB3 ALA A 18 7.937 1.490 -8.611 1.00 11.12 H new ATOM 281 N GLU A 19 7.302 3.738 -6.900 1.00 43.53 N ATOM 282 CA GLU A 19 7.388 4.329 -5.567 1.00 20.15 C ATOM 283 C GLU A 19 6.515 5.608 -5.466 1.00 0.14 C ATOM 284 O GLU A 19 5.624 5.673 -4.626 1.00 74.14 O ATOM 285 CB GLU A 19 8.861 4.645 -5.206 1.00 53.21 C ATOM 286 CG GLU A 19 9.007 5.353 -3.850 1.00 51.31 C ATOM 287 CD GLU A 19 10.445 5.633 -3.435 1.00 60.44 C ATOM 288 OE1 GLU A 19 11.009 6.656 -3.875 1.00 25.42 O ATOM 289 OE2 GLU A 19 11.028 4.843 -2.656 1.00 20.01 O ATOM 0 H GLU A 19 8.195 3.704 -7.391 1.00 43.53 H new ATOM 0 HA GLU A 19 7.004 3.602 -4.851 1.00 20.15 H new ATOM 0 HB2 GLU A 19 9.432 3.717 -5.189 1.00 53.21 H new ATOM 0 HB3 GLU A 19 9.294 5.272 -5.986 1.00 53.21 H new ATOM 0 HG2 GLU A 19 8.463 6.297 -3.887 1.00 51.31 H new ATOM 0 HG3 GLU A 19 8.533 4.741 -3.082 1.00 51.31 H new ATOM 296 N GLU A 20 6.764 6.582 -6.370 1.00 64.22 N ATOM 297 CA GLU A 20 6.128 7.922 -6.338 1.00 50.33 C ATOM 298 C GLU A 20 4.585 7.845 -6.364 1.00 3.12 C ATOM 299 O GLU A 20 3.905 8.517 -5.576 1.00 42.41 O ATOM 300 CB GLU A 20 6.653 8.772 -7.528 1.00 5.44 C ATOM 301 CG GLU A 20 8.157 9.106 -7.450 1.00 72.41 C ATOM 302 CD GLU A 20 8.527 9.976 -6.230 1.00 70.52 C ATOM 303 OE1 GLU A 20 8.406 11.218 -6.324 1.00 31.22 O ATOM 304 OE2 GLU A 20 8.947 9.439 -5.182 1.00 60.41 O ATOM 0 H GLU A 20 7.414 6.462 -7.146 1.00 64.22 H new ATOM 0 HA GLU A 20 6.400 8.398 -5.396 1.00 50.33 H new ATOM 0 HB2 GLU A 20 6.459 8.236 -8.457 1.00 5.44 H new ATOM 0 HB3 GLU A 20 6.087 9.703 -7.573 1.00 5.44 H new ATOM 0 HG2 GLU A 20 8.727 8.178 -7.411 1.00 72.41 H new ATOM 0 HG3 GLU A 20 8.455 9.625 -8.361 1.00 72.41 H new ATOM 311 N ILE A 21 4.070 7.006 -7.266 1.00 33.35 N ATOM 312 CA ILE A 21 2.637 6.749 -7.438 1.00 40.33 C ATOM 313 C ILE A 21 2.048 6.158 -6.147 1.00 21.43 C ATOM 314 O ILE A 21 1.071 6.688 -5.632 1.00 65.54 O ATOM 315 CB ILE A 21 2.385 5.776 -8.650 1.00 52.54 C ATOM 316 CG1 ILE A 21 2.869 6.414 -9.992 1.00 13.23 C ATOM 317 CG2 ILE A 21 0.904 5.343 -8.750 1.00 34.54 C ATOM 318 CD1 ILE A 21 2.991 5.429 -11.141 1.00 5.44 C ATOM 0 H ILE A 21 4.652 6.473 -7.913 1.00 33.35 H new ATOM 0 HA ILE A 21 2.140 7.695 -7.652 1.00 40.33 H new ATOM 0 HB ILE A 21 2.973 4.877 -8.465 1.00 52.54 H new ATOM 0 HG12 ILE A 21 2.174 7.204 -10.277 1.00 13.23 H new ATOM 0 HG13 ILE A 21 3.838 6.886 -9.828 1.00 13.23 H new ATOM 0 HG21 ILE A 21 0.778 4.673 -9.600 1.00 34.54 H new ATOM 0 HG22 ILE A 21 0.613 4.827 -7.835 1.00 34.54 H new ATOM 0 HG23 ILE A 21 0.276 6.223 -8.886 1.00 34.54 H new ATOM 0 HD11 ILE A 21 3.332 5.952 -12.034 1.00 5.44 H new ATOM 0 HD12 ILE A 21 3.709 4.652 -10.879 1.00 5.44 H new ATOM 0 HD13 ILE A 21 2.019 4.975 -11.335 1.00 5.44 H new ATOM 330 N VAL A 22 2.698 5.100 -5.607 1.00 62.41 N ATOM 331 CA VAL A 22 2.212 4.397 -4.395 1.00 25.12 C ATOM 332 C VAL A 22 2.267 5.315 -3.141 1.00 43.30 C ATOM 333 O VAL A 22 1.421 5.194 -2.258 1.00 21.33 O ATOM 334 CB VAL A 22 2.988 3.040 -4.176 1.00 5.31 C ATOM 335 CG1 VAL A 22 2.682 2.392 -2.804 1.00 14.21 C ATOM 336 CG2 VAL A 22 2.658 2.049 -5.317 1.00 12.51 C ATOM 0 H VAL A 22 3.560 4.714 -5.991 1.00 62.41 H new ATOM 0 HA VAL A 22 1.163 4.146 -4.552 1.00 25.12 H new ATOM 0 HB VAL A 22 4.052 3.275 -4.188 1.00 5.31 H new ATOM 0 HG11 VAL A 22 3.242 1.462 -2.708 1.00 14.21 H new ATOM 0 HG12 VAL A 22 2.973 3.075 -2.006 1.00 14.21 H new ATOM 0 HG13 VAL A 22 1.615 2.182 -2.731 1.00 14.21 H new ATOM 0 HG21 VAL A 22 3.198 1.116 -5.156 1.00 12.51 H new ATOM 0 HG22 VAL A 22 1.586 1.850 -5.328 1.00 12.51 H new ATOM 0 HG23 VAL A 22 2.956 2.481 -6.272 1.00 12.51 H new ATOM 346 N LYS A 23 3.223 6.263 -3.103 1.00 71.32 N ATOM 347 CA LYS A 23 3.313 7.286 -2.028 1.00 32.31 C ATOM 348 C LYS A 23 2.072 8.201 -2.059 1.00 64.21 C ATOM 349 O LYS A 23 1.439 8.447 -1.017 1.00 32.44 O ATOM 350 CB LYS A 23 4.610 8.121 -2.194 1.00 30.30 C ATOM 351 CG LYS A 23 5.911 7.344 -1.883 1.00 61.42 C ATOM 352 CD LYS A 23 7.178 8.083 -2.367 1.00 50.22 C ATOM 353 CE LYS A 23 7.333 9.493 -1.784 1.00 21.30 C ATOM 354 NZ LYS A 23 8.533 10.178 -2.331 1.00 32.12 N ATOM 0 H LYS A 23 3.954 6.346 -3.810 1.00 71.32 H new ATOM 0 HA LYS A 23 3.346 6.782 -1.062 1.00 32.31 H new ATOM 0 HB2 LYS A 23 4.659 8.495 -3.217 1.00 30.30 H new ATOM 0 HB3 LYS A 23 4.555 8.991 -1.539 1.00 30.30 H new ATOM 0 HG2 LYS A 23 5.981 7.177 -0.808 1.00 61.42 H new ATOM 0 HG3 LYS A 23 5.865 6.363 -2.356 1.00 61.42 H new ATOM 0 HD2 LYS A 23 8.055 7.492 -2.103 1.00 50.22 H new ATOM 0 HD3 LYS A 23 7.155 8.150 -3.455 1.00 50.22 H new ATOM 0 HE2 LYS A 23 6.443 10.081 -2.008 1.00 21.30 H new ATOM 0 HE3 LYS A 23 7.410 9.433 -0.698 1.00 21.30 H new ATOM 0 HZ1 LYS A 23 8.414 11.208 -2.246 1.00 32.12 H new ATOM 0 HZ2 LYS A 23 9.375 9.882 -1.798 1.00 32.12 H new ATOM 0 HZ3 LYS A 23 8.651 9.925 -3.333 1.00 32.12 H new ATOM 368 N ARG A 24 1.732 8.681 -3.283 1.00 13.00 N ATOM 369 CA ARG A 24 0.496 9.450 -3.535 1.00 55.15 C ATOM 370 C ARG A 24 -0.731 8.622 -3.127 1.00 73.13 C ATOM 371 O ARG A 24 -1.637 9.138 -2.482 1.00 3.35 O ATOM 372 CB ARG A 24 0.383 9.876 -5.034 1.00 25.54 C ATOM 373 CG ARG A 24 -1.021 10.395 -5.450 1.00 24.23 C ATOM 374 CD ARG A 24 -1.106 10.866 -6.908 1.00 64.01 C ATOM 375 NE ARG A 24 -0.442 12.166 -7.140 1.00 14.34 N ATOM 376 CZ ARG A 24 -1.080 13.328 -7.396 1.00 74.35 C ATOM 377 NH1 ARG A 24 -2.412 13.389 -7.447 1.00 41.22 N ATOM 378 NH2 ARG A 24 -0.378 14.428 -7.623 1.00 65.42 N ATOM 0 H ARG A 24 2.306 8.544 -4.115 1.00 13.00 H new ATOM 0 HA ARG A 24 0.536 10.357 -2.932 1.00 55.15 H new ATOM 0 HB2 ARG A 24 1.119 10.655 -5.234 1.00 25.54 H new ATOM 0 HB3 ARG A 24 0.642 9.024 -5.662 1.00 25.54 H new ATOM 0 HG2 ARG A 24 -1.752 9.602 -5.292 1.00 24.23 H new ATOM 0 HG3 ARG A 24 -1.300 11.221 -4.795 1.00 24.23 H new ATOM 0 HD2 ARG A 24 -0.652 10.114 -7.553 1.00 64.01 H new ATOM 0 HD3 ARG A 24 -2.154 10.944 -7.197 1.00 64.01 H new ATOM 0 HE ARG A 24 0.577 12.187 -7.104 1.00 14.34 H new ATOM 0 HH11 ARG A 24 -2.967 12.548 -7.291 1.00 41.22 H new ATOM 0 HH12 ARG A 24 -2.875 14.277 -7.642 1.00 41.22 H new ATOM 0 HH21 ARG A 24 0.641 14.395 -7.604 1.00 65.42 H new ATOM 0 HH22 ARG A 24 -0.857 15.308 -7.817 1.00 65.42 H new ATOM 392 N VAL A 25 -0.711 7.321 -3.484 1.00 23.14 N ATOM 393 CA VAL A 25 -1.808 6.390 -3.209 1.00 30.01 C ATOM 394 C VAL A 25 -2.074 6.284 -1.704 1.00 61.55 C ATOM 395 O VAL A 25 -3.204 6.408 -1.295 1.00 4.32 O ATOM 396 CB VAL A 25 -1.531 4.954 -3.792 1.00 35.12 C ATOM 397 CG1 VAL A 25 -2.539 3.931 -3.246 1.00 55.32 C ATOM 398 CG2 VAL A 25 -1.555 4.957 -5.335 1.00 12.14 C ATOM 0 H VAL A 25 0.074 6.892 -3.973 1.00 23.14 H new ATOM 0 HA VAL A 25 -2.689 6.795 -3.707 1.00 30.01 H new ATOM 0 HB VAL A 25 -0.532 4.661 -3.469 1.00 35.12 H new ATOM 0 HG11 VAL A 25 -2.324 2.948 -3.666 1.00 55.32 H new ATOM 0 HG12 VAL A 25 -2.460 3.887 -2.160 1.00 55.32 H new ATOM 0 HG13 VAL A 25 -3.549 4.231 -3.525 1.00 55.32 H new ATOM 0 HG21 VAL A 25 -1.360 3.950 -5.704 1.00 12.14 H new ATOM 0 HG22 VAL A 25 -2.534 5.288 -5.683 1.00 12.14 H new ATOM 0 HG23 VAL A 25 -0.788 5.635 -5.709 1.00 12.14 H new ATOM 408 N ILE A 26 -1.022 6.064 -0.902 1.00 11.25 N ATOM 409 CA ILE A 26 -1.150 5.893 0.562 1.00 72.42 C ATOM 410 C ILE A 26 -1.638 7.209 1.218 1.00 22.42 C ATOM 411 O ILE A 26 -2.319 7.182 2.246 1.00 41.43 O ATOM 412 CB ILE A 26 0.207 5.387 1.190 1.00 64.11 C ATOM 413 CG1 ILE A 26 0.629 4.027 0.537 1.00 34.42 C ATOM 414 CG2 ILE A 26 0.112 5.243 2.732 1.00 55.22 C ATOM 415 CD1 ILE A 26 2.050 3.587 0.851 1.00 72.30 C ATOM 0 H ILE A 26 -0.063 5.999 -1.242 1.00 11.25 H new ATOM 0 HA ILE A 26 -1.900 5.127 0.762 1.00 72.42 H new ATOM 0 HB ILE A 26 0.970 6.137 0.980 1.00 64.11 H new ATOM 0 HG12 ILE A 26 -0.060 3.250 0.870 1.00 34.42 H new ATOM 0 HG13 ILE A 26 0.519 4.109 -0.544 1.00 34.42 H new ATOM 0 HG21 ILE A 26 1.067 4.893 3.124 1.00 55.22 H new ATOM 0 HG22 ILE A 26 -0.129 6.210 3.174 1.00 55.22 H new ATOM 0 HG23 ILE A 26 -0.669 4.525 2.983 1.00 55.22 H new ATOM 0 HD11 ILE A 26 2.254 2.637 0.358 1.00 72.30 H new ATOM 0 HD12 ILE A 26 2.752 4.340 0.492 1.00 72.30 H new ATOM 0 HD13 ILE A 26 2.164 3.468 1.928 1.00 72.30 H new ATOM 427 N ASP A 27 -1.301 8.356 0.587 1.00 5.53 N ATOM 428 CA ASP A 27 -1.846 9.686 0.955 1.00 35.24 C ATOM 429 C ASP A 27 -3.369 9.773 0.636 1.00 24.11 C ATOM 430 O ASP A 27 -4.133 10.399 1.386 1.00 2.11 O ATOM 431 CB ASP A 27 -1.039 10.798 0.226 1.00 54.25 C ATOM 432 CG ASP A 27 -1.539 12.229 0.521 1.00 41.33 C ATOM 433 OD1 ASP A 27 -1.307 12.727 1.642 1.00 33.31 O ATOM 434 OD2 ASP A 27 -2.142 12.866 -0.373 1.00 30.32 O ATOM 0 H ASP A 27 -0.644 8.388 -0.192 1.00 5.53 H new ATOM 0 HA ASP A 27 -1.740 9.833 2.030 1.00 35.24 H new ATOM 0 HB2 ASP A 27 0.009 10.723 0.517 1.00 54.25 H new ATOM 0 HB3 ASP A 27 -1.085 10.622 -0.849 1.00 54.25 H new ATOM 439 N GLU A 28 -3.799 9.110 -0.466 1.00 63.22 N ATOM 440 CA GLU A 28 -5.230 9.006 -0.856 1.00 55.34 C ATOM 441 C GLU A 28 -5.983 8.033 0.081 1.00 73.02 C ATOM 442 O GLU A 28 -7.122 8.283 0.470 1.00 72.23 O ATOM 443 CB GLU A 28 -5.381 8.495 -2.323 1.00 12.25 C ATOM 444 CG GLU A 28 -4.658 9.321 -3.407 1.00 71.10 C ATOM 445 CD GLU A 28 -5.053 10.804 -3.434 1.00 20.41 C ATOM 446 OE1 GLU A 28 -6.245 11.104 -3.672 1.00 72.21 O ATOM 447 OE2 GLU A 28 -4.170 11.681 -3.272 1.00 63.11 O ATOM 0 H GLU A 28 -3.167 8.633 -1.109 1.00 63.22 H new ATOM 0 HA GLU A 28 -5.657 10.006 -0.775 1.00 55.34 H new ATOM 0 HB2 GLU A 28 -5.012 7.470 -2.369 1.00 12.25 H new ATOM 0 HB3 GLU A 28 -6.443 8.463 -2.567 1.00 12.25 H new ATOM 0 HG2 GLU A 28 -3.582 9.246 -3.248 1.00 71.10 H new ATOM 0 HG3 GLU A 28 -4.868 8.883 -4.383 1.00 71.10 H new ATOM 454 N VAL A 29 -5.311 6.917 0.429 1.00 12.32 N ATOM 455 CA VAL A 29 -5.873 5.848 1.270 1.00 33.15 C ATOM 456 C VAL A 29 -5.947 6.318 2.734 1.00 61.32 C ATOM 457 O VAL A 29 -6.802 5.863 3.492 1.00 43.42 O ATOM 458 CB VAL A 29 -5.035 4.510 1.153 1.00 31.21 C ATOM 459 CG1 VAL A 29 -5.608 3.387 2.041 1.00 32.11 C ATOM 460 CG2 VAL A 29 -4.959 4.024 -0.306 1.00 53.24 C ATOM 0 H VAL A 29 -4.353 6.734 0.130 1.00 12.32 H new ATOM 0 HA VAL A 29 -6.880 5.630 0.913 1.00 33.15 H new ATOM 0 HB VAL A 29 -4.030 4.744 1.504 1.00 31.21 H new ATOM 0 HG11 VAL A 29 -5.001 2.489 1.928 1.00 32.11 H new ATOM 0 HG12 VAL A 29 -5.595 3.705 3.083 1.00 32.11 H new ATOM 0 HG13 VAL A 29 -6.633 3.172 1.740 1.00 32.11 H new ATOM 0 HG21 VAL A 29 -4.377 3.104 -0.353 1.00 53.24 H new ATOM 0 HG22 VAL A 29 -5.966 3.836 -0.680 1.00 53.24 H new ATOM 0 HG23 VAL A 29 -4.480 4.787 -0.919 1.00 53.24 H new ATOM 470 N GLU A 30 -5.072 7.270 3.090 1.00 71.30 N ATOM 471 CA GLU A 30 -5.005 7.849 4.439 1.00 1.14 C ATOM 472 C GLU A 30 -6.367 8.455 4.842 1.00 61.31 C ATOM 473 O GLU A 30 -6.908 8.121 5.893 1.00 62.51 O ATOM 474 CB GLU A 30 -3.890 8.931 4.499 1.00 53.24 C ATOM 475 CG GLU A 30 -3.533 9.420 5.921 1.00 52.10 C ATOM 476 CD GLU A 30 -2.952 8.302 6.814 1.00 35.30 C ATOM 477 OE1 GLU A 30 -1.732 8.016 6.716 1.00 44.40 O ATOM 478 OE2 GLU A 30 -3.704 7.713 7.622 1.00 5.12 O ATOM 0 H GLU A 30 -4.386 7.662 2.445 1.00 71.30 H new ATOM 0 HA GLU A 30 -4.764 7.055 5.146 1.00 1.14 H new ATOM 0 HB2 GLU A 30 -2.990 8.531 4.032 1.00 53.24 H new ATOM 0 HB3 GLU A 30 -4.204 9.789 3.904 1.00 53.24 H new ATOM 0 HG2 GLU A 30 -2.810 10.233 5.849 1.00 52.10 H new ATOM 0 HG3 GLU A 30 -4.426 9.828 6.394 1.00 52.10 H new ATOM 485 N ARG A 31 -6.936 9.289 3.948 1.00 53.43 N ATOM 486 CA ARG A 31 -8.179 10.028 4.231 1.00 21.44 C ATOM 487 C ARG A 31 -9.393 9.074 4.339 1.00 63.03 C ATOM 488 O ARG A 31 -10.163 9.164 5.297 1.00 51.04 O ATOM 489 CB ARG A 31 -8.412 11.157 3.181 1.00 45.32 C ATOM 490 CG ARG A 31 -8.724 10.706 1.734 1.00 23.30 C ATOM 491 CD ARG A 31 -8.795 11.884 0.734 1.00 74.01 C ATOM 492 NE ARG A 31 -9.692 12.965 1.194 1.00 54.33 N ATOM 493 CZ ARG A 31 -9.862 14.158 0.593 1.00 0.52 C ATOM 494 NH1 ARG A 31 -9.218 14.477 -0.533 1.00 21.02 N ATOM 495 NH2 ARG A 31 -10.682 15.042 1.147 1.00 44.50 N ATOM 0 H ARG A 31 -6.551 9.467 3.020 1.00 53.43 H new ATOM 0 HA ARG A 31 -8.069 10.509 5.203 1.00 21.44 H new ATOM 0 HB2 ARG A 31 -9.236 11.780 3.528 1.00 45.32 H new ATOM 0 HB3 ARG A 31 -7.523 11.788 3.157 1.00 45.32 H new ATOM 0 HG2 ARG A 31 -7.958 10.004 1.405 1.00 23.30 H new ATOM 0 HG3 ARG A 31 -9.673 10.170 1.723 1.00 23.30 H new ATOM 0 HD2 ARG A 31 -7.794 12.287 0.581 1.00 74.01 H new ATOM 0 HD3 ARG A 31 -9.141 11.516 -0.232 1.00 74.01 H new ATOM 0 HE ARG A 31 -10.231 12.792 2.043 1.00 54.33 H new ATOM 0 HH11 ARG A 31 -8.577 13.809 -0.961 1.00 21.02 H new ATOM 0 HH12 ARG A 31 -9.367 15.389 -0.965 1.00 21.02 H new ATOM 0 HH21 ARG A 31 -11.170 14.812 2.013 1.00 44.50 H new ATOM 0 HH22 ARG A 31 -10.824 15.951 0.707 1.00 44.50 H new ATOM 509 N GLU A 32 -9.504 8.108 3.402 1.00 71.32 N ATOM 510 CA GLU A 32 -10.677 7.209 3.310 1.00 64.23 C ATOM 511 C GLU A 32 -10.666 6.143 4.425 1.00 63.00 C ATOM 512 O GLU A 32 -11.730 5.738 4.908 1.00 44.03 O ATOM 513 CB GLU A 32 -10.740 6.556 1.894 1.00 53.24 C ATOM 514 CG GLU A 32 -9.463 5.800 1.474 1.00 72.51 C ATOM 515 CD GLU A 32 -9.460 5.301 0.015 1.00 23.32 C ATOM 516 OE1 GLU A 32 -9.538 6.133 -0.914 1.00 14.32 O ATOM 517 OE2 GLU A 32 -9.379 4.075 -0.214 1.00 71.13 O ATOM 0 H GLU A 32 -8.791 7.929 2.694 1.00 71.32 H new ATOM 0 HA GLU A 32 -11.578 7.805 3.455 1.00 64.23 H new ATOM 0 HB2 GLU A 32 -11.581 5.864 1.866 1.00 53.24 H new ATOM 0 HB3 GLU A 32 -10.943 7.335 1.159 1.00 53.24 H new ATOM 0 HG2 GLU A 32 -8.604 6.455 1.621 1.00 72.51 H new ATOM 0 HG3 GLU A 32 -9.329 4.945 2.136 1.00 72.51 H new ATOM 524 N VAL A 33 -9.458 5.705 4.829 1.00 74.22 N ATOM 525 CA VAL A 33 -9.288 4.764 5.954 1.00 54.10 C ATOM 526 C VAL A 33 -9.657 5.437 7.280 1.00 4.41 C ATOM 527 O VAL A 33 -10.458 4.889 8.018 1.00 20.10 O ATOM 528 CB VAL A 33 -7.823 4.161 6.012 1.00 30.33 C ATOM 529 CG1 VAL A 33 -7.470 3.564 7.399 1.00 1.32 C ATOM 530 CG2 VAL A 33 -7.646 3.091 4.910 1.00 62.44 C ATOM 0 H VAL A 33 -8.582 5.989 4.391 1.00 74.22 H new ATOM 0 HA VAL A 33 -9.969 3.930 5.786 1.00 54.10 H new ATOM 0 HB VAL A 33 -7.133 4.987 5.840 1.00 30.33 H new ATOM 0 HG11 VAL A 33 -6.455 3.167 7.377 1.00 1.32 H new ATOM 0 HG12 VAL A 33 -7.538 4.343 8.158 1.00 1.32 H new ATOM 0 HG13 VAL A 33 -8.168 2.762 7.638 1.00 1.32 H new ATOM 0 HG21 VAL A 33 -6.636 2.683 4.958 1.00 62.44 H new ATOM 0 HG22 VAL A 33 -8.369 2.290 5.062 1.00 62.44 H new ATOM 0 HG23 VAL A 33 -7.807 3.545 3.932 1.00 62.44 H new ATOM 540 N GLN A 34 -9.114 6.645 7.545 1.00 52.42 N ATOM 541 CA GLN A 34 -9.308 7.339 8.850 1.00 24.01 C ATOM 542 C GLN A 34 -10.782 7.716 9.113 1.00 20.02 C ATOM 543 O GLN A 34 -11.162 7.954 10.266 1.00 65.15 O ATOM 544 CB GLN A 34 -8.391 8.585 8.973 1.00 1.21 C ATOM 545 CG GLN A 34 -6.880 8.263 8.955 1.00 63.34 C ATOM 546 CD GLN A 34 -6.407 7.314 10.069 1.00 41.12 C ATOM 547 OE1 GLN A 34 -6.929 7.312 11.184 1.00 33.45 O ATOM 548 NE2 GLN A 34 -5.406 6.505 9.768 1.00 4.12 N ATOM 0 H GLN A 34 -8.539 7.163 6.880 1.00 52.42 H new ATOM 0 HA GLN A 34 -9.020 6.623 9.620 1.00 24.01 H new ATOM 0 HB2 GLN A 34 -8.615 9.269 8.155 1.00 1.21 H new ATOM 0 HB3 GLN A 34 -8.629 9.107 9.900 1.00 1.21 H new ATOM 0 HG2 GLN A 34 -6.629 7.821 7.991 1.00 63.34 H new ATOM 0 HG3 GLN A 34 -6.323 9.197 9.033 1.00 63.34 H new ATOM 0 HE21 GLN A 34 -4.993 6.529 8.835 1.00 4.12 H new ATOM 0 HE22 GLN A 34 -5.046 5.856 10.468 1.00 4.12 H new ATOM 557 N LYS A 35 -11.608 7.758 8.040 1.00 75.10 N ATOM 558 CA LYS A 35 -13.072 7.956 8.145 1.00 61.31 C ATOM 559 C LYS A 35 -13.723 6.752 8.854 1.00 42.34 C ATOM 560 O LYS A 35 -14.570 6.904 9.736 1.00 61.02 O ATOM 561 CB LYS A 35 -13.702 8.125 6.732 1.00 53.22 C ATOM 562 CG LYS A 35 -13.257 9.396 5.976 1.00 40.21 C ATOM 563 CD LYS A 35 -13.846 9.493 4.549 1.00 4.22 C ATOM 564 CE LYS A 35 -15.383 9.582 4.529 1.00 70.11 C ATOM 565 NZ LYS A 35 -15.885 10.780 5.263 1.00 15.43 N ATOM 0 H LYS A 35 -11.278 7.656 7.080 1.00 75.10 H new ATOM 0 HA LYS A 35 -13.253 8.860 8.727 1.00 61.31 H new ATOM 0 HB2 LYS A 35 -13.449 7.253 6.129 1.00 53.22 H new ATOM 0 HB3 LYS A 35 -14.787 8.139 6.832 1.00 53.22 H new ATOM 0 HG2 LYS A 35 -13.558 10.275 6.547 1.00 40.21 H new ATOM 0 HG3 LYS A 35 -12.169 9.413 5.915 1.00 40.21 H new ATOM 0 HD2 LYS A 35 -13.432 10.370 4.051 1.00 4.22 H new ATOM 0 HD3 LYS A 35 -13.532 8.622 3.974 1.00 4.22 H new ATOM 0 HE2 LYS A 35 -15.730 9.618 3.496 1.00 70.11 H new ATOM 0 HE3 LYS A 35 -15.804 8.681 4.975 1.00 70.11 H new ATOM 0 HZ1 LYS A 35 -16.915 10.857 5.139 1.00 15.43 H new ATOM 0 HZ2 LYS A 35 -15.664 10.685 6.275 1.00 15.43 H new ATOM 0 HZ3 LYS A 35 -15.426 11.635 4.887 1.00 15.43 H new ATOM 579 N GLN A 36 -13.294 5.552 8.436 1.00 64.42 N ATOM 580 CA GLN A 36 -13.836 4.269 8.918 1.00 23.13 C ATOM 581 C GLN A 36 -13.040 3.751 10.139 1.00 63.22 C ATOM 582 O GLN A 36 -13.549 2.955 10.934 1.00 11.24 O ATOM 583 CB GLN A 36 -13.769 3.231 7.759 1.00 21.43 C ATOM 584 CG GLN A 36 -14.494 3.651 6.461 1.00 41.34 C ATOM 585 CD GLN A 36 -16.007 3.882 6.621 1.00 34.23 C ATOM 586 OE1 GLN A 36 -16.673 3.256 7.449 1.00 32.14 O ATOM 587 NE2 GLN A 36 -16.565 4.784 5.826 1.00 62.50 N ATOM 0 H GLN A 36 -12.552 5.442 7.745 1.00 64.42 H new ATOM 0 HA GLN A 36 -14.869 4.415 9.233 1.00 23.13 H new ATOM 0 HB2 GLN A 36 -12.722 3.037 7.526 1.00 21.43 H new ATOM 0 HB3 GLN A 36 -14.197 2.291 8.108 1.00 21.43 H new ATOM 0 HG2 GLN A 36 -14.037 4.566 6.085 1.00 41.34 H new ATOM 0 HG3 GLN A 36 -14.335 2.882 5.706 1.00 41.34 H new ATOM 0 HE21 GLN A 36 -15.994 5.290 5.149 1.00 62.50 H new ATOM 0 HE22 GLN A 36 -17.565 4.973 5.892 1.00 62.50 H new ATOM 596 N TYR A 37 -11.774 4.207 10.266 1.00 25.43 N ATOM 597 CA TYR A 37 -10.800 3.679 11.241 1.00 73.51 C ATOM 598 C TYR A 37 -10.008 4.843 11.881 1.00 44.12 C ATOM 599 O TYR A 37 -8.941 5.205 11.380 1.00 32.22 O ATOM 600 CB TYR A 37 -9.816 2.668 10.562 1.00 23.42 C ATOM 601 CG TYR A 37 -10.481 1.590 9.695 1.00 42.43 C ATOM 602 CD1 TYR A 37 -11.097 0.472 10.263 1.00 54.34 C ATOM 603 CD2 TYR A 37 -10.521 1.711 8.301 1.00 51.11 C ATOM 604 CE1 TYR A 37 -11.726 -0.471 9.473 1.00 42.23 C ATOM 605 CE2 TYR A 37 -11.138 0.771 7.513 1.00 60.40 C ATOM 606 CZ TYR A 37 -11.742 -0.315 8.101 1.00 75.03 C ATOM 607 OH TYR A 37 -12.390 -1.232 7.318 1.00 14.13 O ATOM 0 H TYR A 37 -11.398 4.959 9.688 1.00 25.43 H new ATOM 0 HA TYR A 37 -11.349 3.148 12.019 1.00 73.51 H new ATOM 0 HB2 TYR A 37 -9.115 3.228 9.943 1.00 23.42 H new ATOM 0 HB3 TYR A 37 -9.232 2.176 11.340 1.00 23.42 H new ATOM 0 HD1 TYR A 37 -11.081 0.343 11.335 1.00 54.34 H new ATOM 0 HD2 TYR A 37 -10.055 2.566 7.833 1.00 51.11 H new ATOM 0 HE1 TYR A 37 -12.203 -1.327 9.927 1.00 42.23 H new ATOM 0 HE2 TYR A 37 -11.149 0.884 6.439 1.00 60.40 H new ATOM 0 HH TYR A 37 -12.728 -0.792 6.510 1.00 14.13 H new ATOM 617 N PRO A 38 -10.539 5.483 12.971 1.00 15.04 N ATOM 618 CA PRO A 38 -9.811 6.552 13.712 1.00 33.50 C ATOM 619 C PRO A 38 -8.596 6.003 14.506 1.00 61.42 C ATOM 620 O PRO A 38 -7.661 6.745 14.832 1.00 24.14 O ATOM 621 CB PRO A 38 -10.899 7.141 14.664 1.00 55.12 C ATOM 622 CG PRO A 38 -12.212 6.605 14.150 1.00 43.53 C ATOM 623 CD PRO A 38 -11.890 5.256 13.548 1.00 10.21 C ATOM 0 HA PRO A 38 -9.379 7.296 13.042 1.00 33.50 H new ATOM 0 HB2 PRO A 38 -10.726 6.835 15.696 1.00 55.12 H new ATOM 0 HB3 PRO A 38 -10.886 8.231 14.649 1.00 55.12 H new ATOM 0 HG2 PRO A 38 -12.940 6.511 14.956 1.00 43.53 H new ATOM 0 HG3 PRO A 38 -12.644 7.274 13.406 1.00 43.53 H new ATOM 0 HD2 PRO A 38 -11.884 4.466 14.299 1.00 10.21 H new ATOM 0 HD3 PRO A 38 -12.614 4.967 12.787 1.00 10.21 H new ATOM 631 N ASN A 39 -8.642 4.690 14.807 1.00 74.34 N ATOM 632 CA ASN A 39 -7.592 3.983 15.573 1.00 3.41 C ATOM 633 C ASN A 39 -6.486 3.432 14.653 1.00 2.33 C ATOM 634 O ASN A 39 -5.504 2.853 15.137 1.00 52.51 O ATOM 635 CB ASN A 39 -8.227 2.826 16.396 1.00 0.12 C ATOM 636 CG ASN A 39 -9.325 3.273 17.370 1.00 4.43 C ATOM 637 OD1 ASN A 39 -10.293 2.542 17.613 1.00 64.32 O ATOM 638 ND2 ASN A 39 -9.187 4.455 17.964 1.00 2.52 N ATOM 0 H ASN A 39 -9.413 4.085 14.524 1.00 74.34 H new ATOM 0 HA ASN A 39 -7.130 4.703 16.249 1.00 3.41 H new ATOM 0 HB2 ASN A 39 -8.646 2.093 15.707 1.00 0.12 H new ATOM 0 HB3 ASN A 39 -7.441 2.322 16.959 1.00 0.12 H new ATOM 0 HD21 ASN A 39 -9.887 4.774 18.634 1.00 2.52 H new ATOM 0 HD22 ASN A 39 -8.381 5.043 17.750 1.00 2.52 H new ATOM 645 N ALA A 40 -6.651 3.614 13.333 1.00 41.44 N ATOM 646 CA ALA A 40 -5.685 3.135 12.337 1.00 23.54 C ATOM 647 C ALA A 40 -4.421 3.995 12.336 1.00 45.32 C ATOM 648 O ALA A 40 -4.502 5.224 12.294 1.00 72.43 O ATOM 649 CB ALA A 40 -6.301 3.146 10.934 1.00 75.34 C ATOM 0 H ALA A 40 -7.455 4.095 12.930 1.00 41.44 H new ATOM 0 HA ALA A 40 -5.419 2.113 12.608 1.00 23.54 H new ATOM 0 HB1 ALA A 40 -5.568 2.787 10.212 1.00 75.34 H new ATOM 0 HB2 ALA A 40 -7.176 2.496 10.916 1.00 75.34 H new ATOM 0 HB3 ALA A 40 -6.598 4.162 10.675 1.00 75.34 H new ATOM 655 N THR A 41 -3.262 3.342 12.415 1.00 23.22 N ATOM 656 CA THR A 41 -1.975 3.974 12.140 1.00 22.22 C ATOM 657 C THR A 41 -1.355 3.251 10.938 1.00 22.14 C ATOM 658 O THR A 41 -0.995 2.070 11.028 1.00 12.24 O ATOM 659 CB THR A 41 -1.034 3.899 13.389 1.00 62.32 C ATOM 660 OG1 THR A 41 -1.714 4.430 14.542 1.00 74.35 O ATOM 661 CG2 THR A 41 0.284 4.670 13.177 1.00 1.13 C ATOM 0 H THR A 41 -3.191 2.358 12.672 1.00 23.22 H new ATOM 0 HA THR A 41 -2.112 5.032 11.915 1.00 22.22 H new ATOM 0 HB THR A 41 -0.784 2.849 13.543 1.00 62.32 H new ATOM 0 HG1 THR A 41 -1.077 4.529 15.281 1.00 74.35 H new ATOM 0 HG21 THR A 41 0.902 4.588 14.071 1.00 1.13 H new ATOM 0 HG22 THR A 41 0.819 4.249 12.326 1.00 1.13 H new ATOM 0 HG23 THR A 41 0.064 5.720 12.983 1.00 1.13 H new ATOM 669 N ILE A 42 -1.268 3.963 9.809 1.00 21.23 N ATOM 670 CA ILE A 42 -0.682 3.449 8.568 1.00 11.23 C ATOM 671 C ILE A 42 0.796 3.862 8.533 1.00 73.50 C ATOM 672 O ILE A 42 1.110 5.036 8.325 1.00 3.30 O ATOM 673 CB ILE A 42 -1.434 4.000 7.289 1.00 52.03 C ATOM 674 CG1 ILE A 42 -2.978 3.746 7.391 1.00 31.43 C ATOM 675 CG2 ILE A 42 -0.855 3.376 5.988 1.00 55.21 C ATOM 676 CD1 ILE A 42 -3.804 4.342 6.253 1.00 22.41 C ATOM 0 H ILE A 42 -1.606 4.922 9.731 1.00 21.23 H new ATOM 0 HA ILE A 42 -0.781 2.364 8.550 1.00 11.23 H new ATOM 0 HB ILE A 42 -1.272 5.077 7.246 1.00 52.03 H new ATOM 0 HG12 ILE A 42 -3.153 2.671 7.423 1.00 31.43 H new ATOM 0 HG13 ILE A 42 -3.337 4.156 8.335 1.00 31.43 H new ATOM 0 HG21 ILE A 42 -1.390 3.772 5.125 1.00 55.21 H new ATOM 0 HG22 ILE A 42 0.203 3.625 5.905 1.00 55.21 H new ATOM 0 HG23 ILE A 42 -0.971 2.293 6.021 1.00 55.21 H new ATOM 0 HD11 ILE A 42 -4.858 4.114 6.411 1.00 22.41 H new ATOM 0 HD12 ILE A 42 -3.666 5.423 6.230 1.00 22.41 H new ATOM 0 HD13 ILE A 42 -3.479 3.915 5.305 1.00 22.41 H new ATOM 688 N THR A 43 1.687 2.911 8.817 1.00 42.13 N ATOM 689 CA THR A 43 3.137 3.089 8.678 1.00 24.12 C ATOM 690 C THR A 43 3.573 2.496 7.331 1.00 33.43 C ATOM 691 O THR A 43 3.139 1.398 6.961 1.00 3.25 O ATOM 692 CB THR A 43 3.892 2.402 9.865 1.00 74.44 C ATOM 693 OG1 THR A 43 3.355 2.878 11.108 1.00 4.55 O ATOM 694 CG2 THR A 43 5.412 2.668 9.836 1.00 1.31 C ATOM 0 H THR A 43 1.422 1.985 9.154 1.00 42.13 H new ATOM 0 HA THR A 43 3.386 4.150 8.706 1.00 24.12 H new ATOM 0 HB THR A 43 3.745 1.327 9.763 1.00 74.44 H new ATOM 0 HG1 THR A 43 3.825 2.448 11.853 1.00 4.55 H new ATOM 0 HG21 THR A 43 5.885 2.168 10.681 1.00 1.31 H new ATOM 0 HG22 THR A 43 5.831 2.283 8.906 1.00 1.31 H new ATOM 0 HG23 THR A 43 5.595 3.741 9.900 1.00 1.31 H new ATOM 702 N ARG A 44 4.410 3.233 6.590 1.00 23.32 N ATOM 703 CA ARG A 44 4.829 2.848 5.236 1.00 72.03 C ATOM 704 C ARG A 44 6.293 3.246 4.983 1.00 32.24 C ATOM 705 O ARG A 44 6.749 4.288 5.468 1.00 3.34 O ATOM 706 CB ARG A 44 3.877 3.455 4.151 1.00 73.20 C ATOM 707 CG ARG A 44 3.766 5.007 4.115 1.00 74.51 C ATOM 708 CD ARG A 44 2.914 5.612 5.257 1.00 42.51 C ATOM 709 NE ARG A 44 2.826 7.078 5.151 1.00 50.11 N ATOM 710 CZ ARG A 44 2.332 7.899 6.093 1.00 75.42 C ATOM 711 NH1 ARG A 44 1.864 7.434 7.239 1.00 5.31 N ATOM 712 NH2 ARG A 44 2.317 9.204 5.879 1.00 21.42 N ATOM 0 H ARG A 44 4.815 4.112 6.912 1.00 23.32 H new ATOM 0 HA ARG A 44 4.759 1.763 5.159 1.00 72.03 H new ATOM 0 HB2 ARG A 44 4.214 3.114 3.172 1.00 73.20 H new ATOM 0 HB3 ARG A 44 2.879 3.045 4.305 1.00 73.20 H new ATOM 0 HG2 ARG A 44 4.769 5.432 4.161 1.00 74.51 H new ATOM 0 HG3 ARG A 44 3.336 5.307 3.159 1.00 74.51 H new ATOM 0 HD2 ARG A 44 1.912 5.184 5.230 1.00 42.51 H new ATOM 0 HD3 ARG A 44 3.350 5.342 6.219 1.00 42.51 H new ATOM 0 HE ARG A 44 3.169 7.506 4.291 1.00 50.11 H new ATOM 0 HH11 ARG A 44 1.873 6.431 7.424 1.00 5.31 H new ATOM 0 HH12 ARG A 44 1.494 8.078 7.938 1.00 5.31 H new ATOM 0 HH21 ARG A 44 2.679 9.581 5.003 1.00 21.42 H new ATOM 0 HH22 ARG A 44 1.943 9.833 6.590 1.00 21.42 H new ATOM 726 N THR A 45 7.032 2.382 4.262 1.00 43.52 N ATOM 727 CA THR A 45 8.419 2.636 3.836 1.00 21.51 C ATOM 728 C THR A 45 8.637 2.010 2.450 1.00 32.44 C ATOM 729 O THR A 45 8.575 0.790 2.305 1.00 25.11 O ATOM 730 CB THR A 45 9.459 2.046 4.856 1.00 21.40 C ATOM 731 OG1 THR A 45 9.262 2.631 6.155 1.00 40.12 O ATOM 732 CG2 THR A 45 10.914 2.290 4.404 1.00 14.13 C ATOM 0 H THR A 45 6.677 1.476 3.956 1.00 43.52 H new ATOM 0 HA THR A 45 8.575 3.714 3.795 1.00 21.51 H new ATOM 0 HB THR A 45 9.294 0.969 4.900 1.00 21.40 H new ATOM 0 HG1 THR A 45 9.913 2.257 6.785 1.00 40.12 H new ATOM 0 HG21 THR A 45 11.599 1.866 5.138 1.00 14.13 H new ATOM 0 HG22 THR A 45 11.079 1.815 3.437 1.00 14.13 H new ATOM 0 HG23 THR A 45 11.093 3.362 4.317 1.00 14.13 H new ATOM 740 N LEU A 46 8.852 2.851 1.430 1.00 71.23 N ATOM 741 CA LEU A 46 9.128 2.405 0.056 1.00 24.14 C ATOM 742 C LEU A 46 10.622 2.601 -0.230 1.00 70.34 C ATOM 743 O LEU A 46 11.196 3.616 0.176 1.00 72.44 O ATOM 744 CB LEU A 46 8.282 3.195 -0.978 1.00 30.23 C ATOM 745 CG LEU A 46 6.722 3.107 -0.848 1.00 51.23 C ATOM 746 CD1 LEU A 46 6.167 3.937 0.330 1.00 54.13 C ATOM 747 CD2 LEU A 46 6.043 3.503 -2.161 1.00 24.32 C ATOM 0 H LEU A 46 8.840 3.866 1.534 1.00 71.23 H new ATOM 0 HA LEU A 46 8.858 1.353 -0.035 1.00 24.14 H new ATOM 0 HB2 LEU A 46 8.567 4.245 -0.915 1.00 30.23 H new ATOM 0 HB3 LEU A 46 8.558 2.849 -1.974 1.00 30.23 H new ATOM 0 HG LEU A 46 6.487 2.065 -0.630 1.00 51.23 H new ATOM 0 HD11 LEU A 46 5.082 3.836 0.367 1.00 54.13 H new ATOM 0 HD12 LEU A 46 6.598 3.576 1.264 1.00 54.13 H new ATOM 0 HD13 LEU A 46 6.429 4.986 0.191 1.00 54.13 H new ATOM 0 HD21 LEU A 46 4.961 3.434 -2.046 1.00 24.32 H new ATOM 0 HD22 LEU A 46 6.316 4.526 -2.418 1.00 24.32 H new ATOM 0 HD23 LEU A 46 6.367 2.831 -2.955 1.00 24.32 H new ATOM 759 N THR A 47 11.255 1.632 -0.896 1.00 71.20 N ATOM 760 CA THR A 47 12.702 1.678 -1.202 1.00 5.21 C ATOM 761 C THR A 47 12.958 1.115 -2.608 1.00 40.34 C ATOM 762 O THR A 47 12.354 0.113 -2.979 1.00 2.11 O ATOM 763 CB THR A 47 13.498 0.869 -0.115 1.00 22.22 C ATOM 764 OG1 THR A 47 13.236 1.430 1.181 1.00 40.11 O ATOM 765 CG2 THR A 47 15.016 0.866 -0.354 1.00 62.45 C ATOM 0 H THR A 47 10.788 0.793 -1.241 1.00 71.20 H new ATOM 0 HA THR A 47 13.047 2.712 -1.183 1.00 5.21 H new ATOM 0 HB THR A 47 13.156 -0.164 -0.178 1.00 22.22 H new ATOM 0 HG1 THR A 47 13.730 0.926 1.861 1.00 40.11 H new ATOM 0 HG21 THR A 47 15.507 0.291 0.431 1.00 62.45 H new ATOM 0 HG22 THR A 47 15.231 0.415 -1.323 1.00 62.45 H new ATOM 0 HG23 THR A 47 15.389 1.890 -0.340 1.00 62.45 H new ATOM 773 N ARG A 48 13.862 1.752 -3.390 1.00 14.23 N ATOM 774 CA ARG A 48 14.214 1.274 -4.741 1.00 45.32 C ATOM 775 C ARG A 48 15.295 0.175 -4.641 1.00 23.11 C ATOM 776 O ARG A 48 16.070 0.116 -3.670 1.00 73.32 O ATOM 777 CB ARG A 48 14.714 2.416 -5.678 1.00 72.14 C ATOM 778 CG ARG A 48 13.670 3.480 -6.095 1.00 34.42 C ATOM 779 CD ARG A 48 13.387 4.512 -4.997 1.00 5.41 C ATOM 780 NE ARG A 48 14.612 5.204 -4.544 1.00 3.04 N ATOM 781 CZ ARG A 48 14.716 5.973 -3.438 1.00 30.43 C ATOM 782 NH1 ARG A 48 13.670 6.187 -2.641 1.00 41.10 N ATOM 783 NH2 ARG A 48 15.888 6.509 -3.119 1.00 71.42 N ATOM 0 H ARG A 48 14.358 2.597 -3.105 1.00 14.23 H new ATOM 0 HA ARG A 48 13.302 0.872 -5.183 1.00 45.32 H new ATOM 0 HB2 ARG A 48 15.540 2.926 -5.182 1.00 72.14 H new ATOM 0 HB3 ARG A 48 15.117 1.962 -6.583 1.00 72.14 H new ATOM 0 HG2 ARG A 48 14.024 3.996 -6.987 1.00 34.42 H new ATOM 0 HG3 ARG A 48 12.739 2.980 -6.364 1.00 34.42 H new ATOM 0 HD2 ARG A 48 12.674 5.248 -5.369 1.00 5.41 H new ATOM 0 HD3 ARG A 48 12.918 4.015 -4.147 1.00 5.41 H new ATOM 0 HE ARG A 48 15.450 5.091 -5.115 1.00 3.04 H new ATOM 0 HH11 ARG A 48 12.767 5.767 -2.861 1.00 41.10 H new ATOM 0 HH12 ARG A 48 13.772 6.771 -1.811 1.00 41.10 H new ATOM 0 HH21 ARG A 48 16.704 6.339 -3.708 1.00 71.42 H new ATOM 0 HH22 ARG A 48 15.973 7.090 -2.285 1.00 71.42 H new ATOM 797 N ASP A 49 15.341 -0.659 -5.681 1.00 20.50 N ATOM 798 CA ASP A 49 16.181 -1.869 -5.755 1.00 43.04 C ATOM 799 C ASP A 49 16.433 -2.182 -7.253 1.00 44.42 C ATOM 800 O ASP A 49 16.115 -1.353 -8.115 1.00 65.04 O ATOM 801 CB ASP A 49 15.436 -3.030 -5.006 1.00 32.22 C ATOM 802 CG ASP A 49 16.264 -4.319 -4.829 1.00 70.43 C ATOM 803 OD1 ASP A 49 17.144 -4.351 -3.948 1.00 33.43 O ATOM 804 OD2 ASP A 49 16.048 -5.303 -5.573 1.00 75.12 O ATOM 0 H ASP A 49 14.782 -0.513 -6.521 1.00 20.50 H new ATOM 0 HA ASP A 49 17.150 -1.736 -5.273 1.00 43.04 H new ATOM 0 HB2 ASP A 49 15.131 -2.673 -4.023 1.00 32.22 H new ATOM 0 HB3 ASP A 49 14.525 -3.272 -5.554 1.00 32.22 H new ATOM 809 N ASP A 50 17.042 -3.345 -7.565 1.00 5.52 N ATOM 810 CA ASP A 50 17.188 -3.862 -8.942 1.00 71.51 C ATOM 811 C ASP A 50 15.804 -4.024 -9.622 1.00 12.40 C ATOM 812 O ASP A 50 15.154 -5.070 -9.503 1.00 25.01 O ATOM 813 CB ASP A 50 17.973 -5.204 -8.904 1.00 50.31 C ATOM 814 CG ASP A 50 18.155 -5.849 -10.287 1.00 20.21 C ATOM 815 OD1 ASP A 50 19.017 -5.383 -11.062 1.00 71.20 O ATOM 816 OD2 ASP A 50 17.436 -6.821 -10.608 1.00 4.04 O ATOM 0 H ASP A 50 17.451 -3.958 -6.860 1.00 5.52 H new ATOM 0 HA ASP A 50 17.751 -3.147 -9.541 1.00 71.51 H new ATOM 0 HB2 ASP A 50 18.954 -5.029 -8.462 1.00 50.31 H new ATOM 0 HB3 ASP A 50 17.449 -5.903 -8.252 1.00 50.31 H new ATOM 821 N GLY A 51 15.334 -2.923 -10.258 1.00 2.54 N ATOM 822 CA GLY A 51 14.054 -2.889 -10.984 1.00 42.51 C ATOM 823 C GLY A 51 12.842 -3.186 -10.101 1.00 5.12 C ATOM 824 O GLY A 51 11.790 -3.612 -10.593 1.00 74.02 O ATOM 0 H GLY A 51 15.837 -2.036 -10.278 1.00 2.54 H new ATOM 0 HA2 GLY A 51 13.930 -1.906 -11.439 1.00 42.51 H new ATOM 0 HA3 GLY A 51 14.087 -3.614 -11.797 1.00 42.51 H new ATOM 828 N THR A 52 12.991 -2.952 -8.791 1.00 54.22 N ATOM 829 CA THR A 52 12.000 -3.345 -7.779 1.00 43.12 C ATOM 830 C THR A 52 11.849 -2.237 -6.720 1.00 43.35 C ATOM 831 O THR A 52 12.822 -1.568 -6.375 1.00 24.43 O ATOM 832 CB THR A 52 12.430 -4.702 -7.094 1.00 51.32 C ATOM 833 OG1 THR A 52 12.592 -5.728 -8.094 1.00 41.52 O ATOM 834 CG2 THR A 52 11.426 -5.192 -6.036 1.00 62.24 C ATOM 0 H THR A 52 13.807 -2.482 -8.400 1.00 54.22 H new ATOM 0 HA THR A 52 11.038 -3.490 -8.270 1.00 43.12 H new ATOM 0 HB THR A 52 13.373 -4.504 -6.584 1.00 51.32 H new ATOM 0 HG1 THR A 52 13.418 -5.568 -8.596 1.00 41.52 H new ATOM 0 HG21 THR A 52 11.780 -6.128 -5.604 1.00 62.24 H new ATOM 0 HG22 THR A 52 11.331 -4.443 -5.250 1.00 62.24 H new ATOM 0 HG23 THR A 52 10.455 -5.353 -6.503 1.00 62.24 H new ATOM 842 N VAL A 53 10.612 -2.017 -6.256 1.00 71.11 N ATOM 843 CA VAL A 53 10.315 -1.192 -5.075 1.00 21.04 C ATOM 844 C VAL A 53 9.780 -2.101 -3.973 1.00 13.41 C ATOM 845 O VAL A 53 8.835 -2.852 -4.201 1.00 33.25 O ATOM 846 CB VAL A 53 9.262 -0.065 -5.379 1.00 43.32 C ATOM 847 CG1 VAL A 53 8.959 0.808 -4.130 1.00 42.53 C ATOM 848 CG2 VAL A 53 9.735 0.804 -6.550 1.00 12.13 C ATOM 0 H VAL A 53 9.779 -2.411 -6.694 1.00 71.11 H new ATOM 0 HA VAL A 53 11.236 -0.697 -4.767 1.00 21.04 H new ATOM 0 HB VAL A 53 8.329 -0.555 -5.657 1.00 43.32 H new ATOM 0 HG11 VAL A 53 8.226 1.572 -4.389 1.00 42.53 H new ATOM 0 HG12 VAL A 53 8.561 0.179 -3.334 1.00 42.53 H new ATOM 0 HG13 VAL A 53 9.877 1.286 -3.789 1.00 42.53 H new ATOM 0 HG21 VAL A 53 8.996 1.580 -6.749 1.00 12.13 H new ATOM 0 HG22 VAL A 53 10.689 1.267 -6.297 1.00 12.13 H new ATOM 0 HG23 VAL A 53 9.857 0.183 -7.438 1.00 12.13 H new ATOM 858 N GLU A 54 10.395 -2.047 -2.796 1.00 45.44 N ATOM 859 CA GLU A 54 9.915 -2.759 -1.621 1.00 73.23 C ATOM 860 C GLU A 54 9.016 -1.801 -0.827 1.00 3.00 C ATOM 861 O GLU A 54 9.502 -0.816 -0.256 1.00 70.02 O ATOM 862 CB GLU A 54 11.102 -3.247 -0.766 1.00 20.10 C ATOM 863 CG GLU A 54 10.703 -4.103 0.460 1.00 73.22 C ATOM 864 CD GLU A 54 11.911 -4.530 1.301 1.00 42.50 C ATOM 865 OE1 GLU A 54 12.693 -5.385 0.836 1.00 41.53 O ATOM 866 OE2 GLU A 54 12.098 -4.004 2.418 1.00 22.11 O ATOM 0 H GLU A 54 11.244 -1.505 -2.632 1.00 45.44 H new ATOM 0 HA GLU A 54 9.346 -3.641 -1.914 1.00 73.23 H new ATOM 0 HB2 GLU A 54 11.772 -3.830 -1.397 1.00 20.10 H new ATOM 0 HB3 GLU A 54 11.664 -2.380 -0.420 1.00 20.10 H new ATOM 0 HG2 GLU A 54 10.013 -3.536 1.085 1.00 73.22 H new ATOM 0 HG3 GLU A 54 10.170 -4.991 0.120 1.00 73.22 H new ATOM 873 N LEU A 55 7.711 -2.066 -0.868 1.00 1.24 N ATOM 874 CA LEU A 55 6.704 -1.342 -0.091 1.00 71.20 C ATOM 875 C LEU A 55 6.489 -2.105 1.220 1.00 53.10 C ATOM 876 O LEU A 55 6.157 -3.290 1.213 1.00 71.00 O ATOM 877 CB LEU A 55 5.372 -1.234 -0.897 1.00 51.12 C ATOM 878 CG LEU A 55 4.110 -0.735 -0.116 1.00 52.00 C ATOM 879 CD1 LEU A 55 4.307 0.683 0.445 1.00 21.01 C ATOM 880 CD2 LEU A 55 2.835 -0.826 -0.985 1.00 31.35 C ATOM 0 H LEU A 55 7.316 -2.803 -1.452 1.00 1.24 H new ATOM 0 HA LEU A 55 7.040 -0.327 0.120 1.00 71.20 H new ATOM 0 HB2 LEU A 55 5.538 -0.561 -1.738 1.00 51.12 H new ATOM 0 HB3 LEU A 55 5.147 -2.216 -1.314 1.00 51.12 H new ATOM 0 HG LEU A 55 3.976 -1.402 0.736 1.00 52.00 H new ATOM 0 HD11 LEU A 55 3.408 0.991 0.979 1.00 21.01 H new ATOM 0 HD12 LEU A 55 5.156 0.689 1.129 1.00 21.01 H new ATOM 0 HD13 LEU A 55 4.497 1.376 -0.375 1.00 21.01 H new ATOM 0 HD21 LEU A 55 1.978 -0.472 -0.412 1.00 31.35 H new ATOM 0 HD22 LEU A 55 2.957 -0.209 -1.875 1.00 31.35 H new ATOM 0 HD23 LEU A 55 2.670 -1.862 -1.282 1.00 31.35 H new ATOM 892 N ARG A 56 6.732 -1.429 2.340 1.00 42.13 N ATOM 893 CA ARG A 56 6.539 -1.990 3.675 1.00 63.33 C ATOM 894 C ARG A 56 5.274 -1.367 4.263 1.00 55.20 C ATOM 895 O ARG A 56 5.294 -0.202 4.651 1.00 73.24 O ATOM 896 CB ARG A 56 7.782 -1.677 4.565 1.00 70.22 C ATOM 897 CG ARG A 56 9.100 -2.338 4.095 1.00 44.24 C ATOM 898 CD ARG A 56 9.067 -3.872 4.215 1.00 62.54 C ATOM 899 NE ARG A 56 8.809 -4.303 5.605 1.00 73.52 N ATOM 900 CZ ARG A 56 9.552 -5.167 6.315 1.00 64.12 C ATOM 901 NH1 ARG A 56 10.633 -5.755 5.793 1.00 62.00 N ATOM 902 NH2 ARG A 56 9.198 -5.440 7.564 1.00 3.33 N ATOM 0 H ARG A 56 7.072 -0.467 2.347 1.00 42.13 H new ATOM 0 HA ARG A 56 6.429 -3.074 3.630 1.00 63.33 H new ATOM 0 HB2 ARG A 56 7.925 -0.597 4.598 1.00 70.22 H new ATOM 0 HB3 ARG A 56 7.572 -2.002 5.584 1.00 70.22 H new ATOM 0 HG2 ARG A 56 9.291 -2.062 3.058 1.00 44.24 H new ATOM 0 HG3 ARG A 56 9.929 -1.949 4.686 1.00 44.24 H new ATOM 0 HD2 ARG A 56 8.293 -4.272 3.560 1.00 62.54 H new ATOM 0 HD3 ARG A 56 10.017 -4.285 3.876 1.00 62.54 H new ATOM 0 HE ARG A 56 7.991 -3.907 6.068 1.00 73.52 H new ATOM 0 HH11 ARG A 56 10.911 -5.551 4.833 1.00 62.00 H new ATOM 0 HH12 ARG A 56 11.180 -6.408 6.355 1.00 62.00 H new ATOM 0 HH21 ARG A 56 8.374 -4.996 7.969 1.00 3.33 H new ATOM 0 HH22 ARG A 56 9.750 -6.094 8.119 1.00 3.33 H new ATOM 916 N ILE A 57 4.170 -2.126 4.268 1.00 51.31 N ATOM 917 CA ILE A 57 2.906 -1.700 4.889 1.00 4.41 C ATOM 918 C ILE A 57 2.818 -2.326 6.287 1.00 34.31 C ATOM 919 O ILE A 57 2.944 -3.540 6.452 1.00 42.04 O ATOM 920 CB ILE A 57 1.656 -2.092 4.002 1.00 70.25 C ATOM 921 CG1 ILE A 57 1.643 -1.277 2.671 1.00 13.15 C ATOM 922 CG2 ILE A 57 0.318 -1.911 4.764 1.00 13.42 C ATOM 923 CD1 ILE A 57 1.511 0.232 2.846 1.00 10.51 C ATOM 0 H ILE A 57 4.127 -3.052 3.842 1.00 51.31 H new ATOM 0 HA ILE A 57 2.893 -0.613 4.971 1.00 4.41 H new ATOM 0 HB ILE A 57 1.753 -3.151 3.764 1.00 70.25 H new ATOM 0 HG12 ILE A 57 2.563 -1.486 2.124 1.00 13.15 H new ATOM 0 HG13 ILE A 57 0.818 -1.630 2.053 1.00 13.15 H new ATOM 0 HG21 ILE A 57 -0.511 -2.192 4.115 1.00 13.42 H new ATOM 0 HG22 ILE A 57 0.316 -2.545 5.651 1.00 13.42 H new ATOM 0 HG23 ILE A 57 0.208 -0.869 5.063 1.00 13.42 H new ATOM 0 HD11 ILE A 57 1.511 0.713 1.868 1.00 10.51 H new ATOM 0 HD12 ILE A 57 0.578 0.458 3.361 1.00 10.51 H new ATOM 0 HD13 ILE A 57 2.350 0.605 3.434 1.00 10.51 H new ATOM 935 N LYS A 58 2.653 -1.462 7.283 1.00 73.21 N ATOM 936 CA LYS A 58 2.577 -1.832 8.691 1.00 41.22 C ATOM 937 C LYS A 58 1.354 -1.114 9.279 1.00 53.23 C ATOM 938 O LYS A 58 1.401 0.088 9.541 1.00 71.15 O ATOM 939 CB LYS A 58 3.908 -1.409 9.373 1.00 72.25 C ATOM 940 CG LYS A 58 3.998 -1.699 10.879 1.00 10.22 C ATOM 941 CD LYS A 58 5.308 -1.172 11.513 1.00 4.43 C ATOM 942 CE LYS A 58 5.415 -1.482 13.020 1.00 20.02 C ATOM 943 NZ LYS A 58 5.448 -2.944 13.292 1.00 61.23 N ATOM 0 H LYS A 58 2.566 -0.458 7.128 1.00 73.21 H new ATOM 0 HA LYS A 58 2.456 -2.904 8.846 1.00 41.22 H new ATOM 0 HB2 LYS A 58 4.731 -1.919 8.872 1.00 72.25 H new ATOM 0 HB3 LYS A 58 4.053 -0.340 9.217 1.00 72.25 H new ATOM 0 HG2 LYS A 58 3.146 -1.243 11.384 1.00 10.22 H new ATOM 0 HG3 LYS A 58 3.927 -2.774 11.042 1.00 10.22 H new ATOM 0 HD2 LYS A 58 6.159 -1.614 10.995 1.00 4.43 H new ATOM 0 HD3 LYS A 58 5.369 -0.094 11.364 1.00 4.43 H new ATOM 0 HE2 LYS A 58 6.317 -1.019 13.421 1.00 20.02 H new ATOM 0 HE3 LYS A 58 4.568 -1.036 13.542 1.00 20.02 H new ATOM 0 HZ1 LYS A 58 5.469 -3.106 14.319 1.00 61.23 H new ATOM 0 HZ2 LYS A 58 4.600 -3.391 12.888 1.00 61.23 H new ATOM 0 HZ3 LYS A 58 6.298 -3.359 12.859 1.00 61.23 H new ATOM 957 N VAL A 59 0.240 -1.847 9.446 1.00 70.10 N ATOM 958 CA VAL A 59 -1.047 -1.271 9.878 1.00 30.53 C ATOM 959 C VAL A 59 -1.337 -1.681 11.322 1.00 63.11 C ATOM 960 O VAL A 59 -1.505 -2.873 11.606 1.00 74.40 O ATOM 961 CB VAL A 59 -2.244 -1.735 8.963 1.00 31.10 C ATOM 962 CG1 VAL A 59 -3.593 -1.196 9.492 1.00 64.25 C ATOM 963 CG2 VAL A 59 -2.021 -1.311 7.494 1.00 5.33 C ATOM 0 H VAL A 59 0.205 -2.854 9.286 1.00 70.10 H new ATOM 0 HA VAL A 59 -0.960 -0.187 9.797 1.00 30.53 H new ATOM 0 HB VAL A 59 -2.281 -2.824 8.996 1.00 31.10 H new ATOM 0 HG11 VAL A 59 -4.400 -1.532 8.841 1.00 64.25 H new ATOM 0 HG12 VAL A 59 -3.763 -1.569 10.502 1.00 64.25 H new ATOM 0 HG13 VAL A 59 -3.569 -0.106 9.507 1.00 64.25 H new ATOM 0 HG21 VAL A 59 -2.863 -1.645 6.887 1.00 5.33 H new ATOM 0 HG22 VAL A 59 -1.940 -0.225 7.437 1.00 5.33 H new ATOM 0 HG23 VAL A 59 -1.102 -1.763 7.120 1.00 5.33 H new ATOM 973 N LYS A 60 -1.377 -0.697 12.232 1.00 21.22 N ATOM 974 CA LYS A 60 -1.829 -0.920 13.604 1.00 23.34 C ATOM 975 C LYS A 60 -3.335 -0.640 13.669 1.00 23.10 C ATOM 976 O LYS A 60 -3.782 0.475 13.369 1.00 1.12 O ATOM 977 CB LYS A 60 -1.068 -0.029 14.611 1.00 3.14 C ATOM 978 CG LYS A 60 -1.428 -0.318 16.090 1.00 72.12 C ATOM 979 CD LYS A 60 -0.658 0.574 17.088 1.00 44.43 C ATOM 980 CE LYS A 60 -0.988 2.069 16.931 1.00 32.15 C ATOM 981 NZ LYS A 60 -0.216 2.909 17.883 1.00 74.12 N ATOM 0 H LYS A 60 -1.099 0.265 12.036 1.00 21.22 H new ATOM 0 HA LYS A 60 -1.624 -1.954 13.881 1.00 23.34 H new ATOM 0 HB2 LYS A 60 0.004 -0.172 14.472 1.00 3.14 H new ATOM 0 HB3 LYS A 60 -1.281 1.017 14.391 1.00 3.14 H new ATOM 0 HG2 LYS A 60 -2.499 -0.171 16.232 1.00 72.12 H new ATOM 0 HG3 LYS A 60 -1.218 -1.365 16.311 1.00 72.12 H new ATOM 0 HD2 LYS A 60 -0.893 0.260 18.105 1.00 44.43 H new ATOM 0 HD3 LYS A 60 0.413 0.427 16.948 1.00 44.43 H new ATOM 0 HE2 LYS A 60 -0.771 2.384 15.910 1.00 32.15 H new ATOM 0 HE3 LYS A 60 -2.055 2.224 17.092 1.00 32.15 H new ATOM 0 HZ1 LYS A 60 -0.467 3.909 17.746 1.00 74.12 H new ATOM 0 HZ2 LYS A 60 -0.442 2.626 18.858 1.00 74.12 H new ATOM 0 HZ3 LYS A 60 0.802 2.781 17.713 1.00 74.12 H new ATOM 995 N ALA A 61 -4.097 -1.669 14.030 1.00 53.34 N ATOM 996 CA ALA A 61 -5.553 -1.596 14.223 1.00 24.23 C ATOM 997 C ALA A 61 -5.926 -2.438 15.449 1.00 32.14 C ATOM 998 O ALA A 61 -5.080 -3.168 15.995 1.00 74.03 O ATOM 999 CB ALA A 61 -6.298 -2.080 12.965 1.00 33.14 C ATOM 0 H ALA A 61 -3.717 -2.600 14.202 1.00 53.34 H new ATOM 0 HA ALA A 61 -5.851 -0.561 14.391 1.00 24.23 H new ATOM 0 HB1 ALA A 61 -7.373 -2.017 13.132 1.00 33.14 H new ATOM 0 HB2 ALA A 61 -6.025 -1.453 12.117 1.00 33.14 H new ATOM 0 HB3 ALA A 61 -6.024 -3.114 12.755 1.00 33.14 H new ATOM 1005 N ASP A 62 -7.190 -2.332 15.881 1.00 65.42 N ATOM 1006 CA ASP A 62 -7.703 -3.051 17.057 1.00 11.10 C ATOM 1007 C ASP A 62 -7.622 -4.577 16.836 1.00 1.31 C ATOM 1008 O ASP A 62 -6.982 -5.296 17.616 1.00 2.23 O ATOM 1009 CB ASP A 62 -9.158 -2.604 17.344 1.00 1.00 C ATOM 1010 CG ASP A 62 -9.758 -3.258 18.601 1.00 34.44 C ATOM 1011 OD1 ASP A 62 -9.481 -2.781 19.724 1.00 50.34 O ATOM 1012 OD2 ASP A 62 -10.524 -4.237 18.477 1.00 10.24 O ATOM 0 H ASP A 62 -7.888 -1.744 15.424 1.00 65.42 H new ATOM 0 HA ASP A 62 -7.087 -2.810 17.924 1.00 11.10 H new ATOM 0 HB2 ASP A 62 -9.182 -1.520 17.460 1.00 1.00 H new ATOM 0 HB3 ASP A 62 -9.782 -2.846 16.484 1.00 1.00 H new ATOM 1017 N THR A 63 -8.248 -5.036 15.741 1.00 41.41 N ATOM 1018 CA THR A 63 -8.295 -6.463 15.356 1.00 63.24 C ATOM 1019 C THR A 63 -7.596 -6.695 13.997 1.00 30.41 C ATOM 1020 O THR A 63 -7.434 -5.757 13.204 1.00 4.21 O ATOM 1021 CB THR A 63 -9.773 -6.956 15.265 1.00 25.42 C ATOM 1022 OG1 THR A 63 -10.525 -6.101 14.389 1.00 10.33 O ATOM 1023 CG2 THR A 63 -10.457 -7.017 16.638 1.00 64.21 C ATOM 0 H THR A 63 -8.741 -4.425 15.090 1.00 41.41 H new ATOM 0 HA THR A 63 -7.769 -7.029 16.125 1.00 63.24 H new ATOM 0 HB THR A 63 -9.747 -7.970 14.866 1.00 25.42 H new ATOM 0 HG1 THR A 63 -11.451 -6.419 14.337 1.00 10.33 H new ATOM 0 HG21 THR A 63 -11.483 -7.366 16.518 1.00 64.21 H new ATOM 0 HG22 THR A 63 -9.913 -7.705 17.285 1.00 64.21 H new ATOM 0 HG23 THR A 63 -10.462 -6.024 17.087 1.00 64.21 H new ATOM 1031 N GLU A 64 -7.208 -7.968 13.748 1.00 51.04 N ATOM 1032 CA GLU A 64 -6.552 -8.403 12.493 1.00 63.11 C ATOM 1033 C GLU A 64 -7.500 -8.262 11.286 1.00 44.34 C ATOM 1034 O GLU A 64 -7.046 -8.028 10.170 1.00 12.41 O ATOM 1035 CB GLU A 64 -6.054 -9.874 12.628 1.00 4.40 C ATOM 1036 CG GLU A 64 -7.184 -10.905 12.817 1.00 35.21 C ATOM 1037 CD GLU A 64 -6.698 -12.355 12.937 1.00 13.30 C ATOM 1038 OE1 GLU A 64 -6.265 -12.927 11.925 1.00 12.42 O ATOM 1039 OE2 GLU A 64 -6.770 -12.932 14.040 1.00 74.23 O ATOM 0 H GLU A 64 -7.342 -8.726 14.417 1.00 51.04 H new ATOM 0 HA GLU A 64 -5.694 -7.754 12.318 1.00 63.11 H new ATOM 0 HB2 GLU A 64 -5.483 -10.136 11.738 1.00 4.40 H new ATOM 0 HB3 GLU A 64 -5.372 -9.939 13.475 1.00 4.40 H new ATOM 0 HG2 GLU A 64 -7.749 -10.648 13.713 1.00 35.21 H new ATOM 0 HG3 GLU A 64 -7.872 -10.833 11.974 1.00 35.21 H new ATOM 1046 N GLU A 65 -8.820 -8.416 11.542 1.00 44.45 N ATOM 1047 CA GLU A 65 -9.881 -8.258 10.532 1.00 62.55 C ATOM 1048 C GLU A 65 -9.844 -6.850 9.915 1.00 44.54 C ATOM 1049 O GLU A 65 -9.704 -6.690 8.696 1.00 34.21 O ATOM 1050 CB GLU A 65 -11.264 -8.528 11.195 1.00 13.14 C ATOM 1051 CG GLU A 65 -12.488 -8.290 10.282 1.00 34.35 C ATOM 1052 CD GLU A 65 -13.823 -8.598 10.979 1.00 23.13 C ATOM 1053 OE1 GLU A 65 -14.317 -7.738 11.739 1.00 73.02 O ATOM 1054 OE2 GLU A 65 -14.370 -9.706 10.791 1.00 51.41 O ATOM 0 H GLU A 65 -9.177 -8.656 12.467 1.00 44.45 H new ATOM 0 HA GLU A 65 -9.718 -8.977 9.729 1.00 62.55 H new ATOM 0 HB2 GLU A 65 -11.286 -9.560 11.544 1.00 13.14 H new ATOM 0 HB3 GLU A 65 -11.358 -7.892 12.075 1.00 13.14 H new ATOM 0 HG2 GLU A 65 -12.489 -7.253 9.948 1.00 34.35 H new ATOM 0 HG3 GLU A 65 -12.397 -8.912 9.391 1.00 34.35 H new ATOM 1061 N LYS A 66 -9.915 -5.842 10.790 1.00 11.11 N ATOM 1062 CA LYS A 66 -10.006 -4.435 10.385 1.00 21.45 C ATOM 1063 C LYS A 66 -8.649 -3.930 9.863 1.00 20.14 C ATOM 1064 O LYS A 66 -8.606 -3.053 9.005 1.00 55.43 O ATOM 1065 CB LYS A 66 -10.522 -3.587 11.570 1.00 0.20 C ATOM 1066 CG LYS A 66 -11.852 -4.119 12.166 1.00 21.42 C ATOM 1067 CD LYS A 66 -12.390 -3.249 13.325 1.00 22.23 C ATOM 1068 CE LYS A 66 -12.883 -1.873 12.864 1.00 33.21 C ATOM 1069 NZ LYS A 66 -13.367 -1.035 13.998 1.00 32.41 N ATOM 0 H LYS A 66 -9.911 -5.979 11.801 1.00 11.11 H new ATOM 0 HA LYS A 66 -10.717 -4.339 9.565 1.00 21.45 H new ATOM 0 HB2 LYS A 66 -9.763 -3.567 12.352 1.00 0.20 H new ATOM 0 HB3 LYS A 66 -10.665 -2.559 11.238 1.00 0.20 H new ATOM 0 HG2 LYS A 66 -12.603 -4.167 11.377 1.00 21.42 H new ATOM 0 HG3 LYS A 66 -11.701 -5.137 12.524 1.00 21.42 H new ATOM 0 HD2 LYS A 66 -13.208 -3.775 13.817 1.00 22.23 H new ATOM 0 HD3 LYS A 66 -11.603 -3.117 14.068 1.00 22.23 H new ATOM 0 HE2 LYS A 66 -12.074 -1.353 12.351 1.00 33.21 H new ATOM 0 HE3 LYS A 66 -13.688 -2.002 12.141 1.00 33.21 H new ATOM 0 HZ1 LYS A 66 -13.690 -0.115 13.637 1.00 32.41 H new ATOM 0 HZ2 LYS A 66 -14.157 -1.517 14.473 1.00 32.41 H new ATOM 0 HZ3 LYS A 66 -12.593 -0.888 14.676 1.00 32.41 H new ATOM 1083 N ALA A 67 -7.550 -4.526 10.372 1.00 30.40 N ATOM 1084 CA ALA A 67 -6.187 -4.269 9.889 1.00 53.24 C ATOM 1085 C ALA A 67 -6.026 -4.728 8.422 1.00 33.15 C ATOM 1086 O ALA A 67 -5.490 -3.987 7.593 1.00 72.13 O ATOM 1087 CB ALA A 67 -5.177 -4.971 10.804 1.00 71.34 C ATOM 0 H ALA A 67 -7.590 -5.202 11.134 1.00 30.40 H new ATOM 0 HA ALA A 67 -5.997 -3.196 9.916 1.00 53.24 H new ATOM 0 HB1 ALA A 67 -4.166 -4.780 10.444 1.00 71.34 H new ATOM 0 HB2 ALA A 67 -5.279 -4.589 11.820 1.00 71.34 H new ATOM 0 HB3 ALA A 67 -5.367 -6.044 10.799 1.00 71.34 H new ATOM 1093 N LYS A 68 -6.537 -5.947 8.119 1.00 14.05 N ATOM 1094 CA LYS A 68 -6.530 -6.518 6.750 1.00 31.34 C ATOM 1095 C LYS A 68 -7.448 -5.725 5.801 1.00 4.04 C ATOM 1096 O LYS A 68 -7.217 -5.719 4.589 1.00 53.33 O ATOM 1097 CB LYS A 68 -6.973 -8.009 6.763 1.00 20.13 C ATOM 1098 CG LYS A 68 -5.933 -9.006 7.310 1.00 12.23 C ATOM 1099 CD LYS A 68 -4.615 -9.016 6.495 1.00 2.45 C ATOM 1100 CE LYS A 68 -3.687 -10.180 6.883 1.00 5.43 C ATOM 1101 NZ LYS A 68 -4.313 -11.498 6.582 1.00 14.21 N ATOM 0 H LYS A 68 -6.964 -6.559 8.814 1.00 14.05 H new ATOM 0 HA LYS A 68 -5.505 -6.450 6.385 1.00 31.34 H new ATOM 0 HB2 LYS A 68 -7.881 -8.095 7.359 1.00 20.13 H new ATOM 0 HB3 LYS A 68 -7.231 -8.302 5.745 1.00 20.13 H new ATOM 0 HG2 LYS A 68 -5.710 -8.757 8.347 1.00 12.23 H new ATOM 0 HG3 LYS A 68 -6.362 -10.008 7.308 1.00 12.23 H new ATOM 0 HD2 LYS A 68 -4.850 -9.082 5.433 1.00 2.45 H new ATOM 0 HD3 LYS A 68 -4.091 -8.072 6.647 1.00 2.45 H new ATOM 0 HE2 LYS A 68 -2.744 -10.091 6.343 1.00 5.43 H new ATOM 0 HE3 LYS A 68 -3.452 -10.121 7.946 1.00 5.43 H new ATOM 0 HZ1 LYS A 68 -3.581 -12.237 6.578 1.00 14.21 H new ATOM 0 HZ2 LYS A 68 -5.024 -11.719 7.308 1.00 14.21 H new ATOM 0 HZ3 LYS A 68 -4.771 -11.460 5.649 1.00 14.21 H new ATOM 1115 N SER A 69 -8.497 -5.093 6.362 1.00 22.25 N ATOM 1116 CA SER A 69 -9.431 -4.252 5.599 1.00 60.15 C ATOM 1117 C SER A 69 -8.726 -2.967 5.124 1.00 20.22 C ATOM 1118 O SER A 69 -8.918 -2.533 3.993 1.00 32.44 O ATOM 1119 CB SER A 69 -10.672 -3.909 6.451 1.00 75.03 C ATOM 1120 OG SER A 69 -11.672 -3.278 5.663 1.00 44.11 O ATOM 0 H SER A 69 -8.718 -5.153 7.356 1.00 22.25 H new ATOM 0 HA SER A 69 -9.763 -4.809 4.723 1.00 60.15 H new ATOM 0 HB2 SER A 69 -11.075 -4.819 6.896 1.00 75.03 H new ATOM 0 HB3 SER A 69 -10.384 -3.253 7.272 1.00 75.03 H new ATOM 0 HG SER A 69 -11.996 -2.477 6.126 1.00 44.11 H new ATOM 1126 N ILE A 70 -7.886 -2.391 6.003 1.00 30.33 N ATOM 1127 CA ILE A 70 -7.067 -1.202 5.690 1.00 61.43 C ATOM 1128 C ILE A 70 -6.031 -1.543 4.601 1.00 63.10 C ATOM 1129 O ILE A 70 -5.867 -0.783 3.645 1.00 45.43 O ATOM 1130 CB ILE A 70 -6.374 -0.664 6.992 1.00 42.42 C ATOM 1131 CG1 ILE A 70 -7.468 -0.251 8.031 1.00 52.55 C ATOM 1132 CG2 ILE A 70 -5.397 0.505 6.693 1.00 12.33 C ATOM 1133 CD1 ILE A 70 -6.976 -0.043 9.450 1.00 61.55 C ATOM 0 H ILE A 70 -7.755 -2.737 6.954 1.00 30.33 H new ATOM 0 HA ILE A 70 -7.712 -0.413 5.304 1.00 61.43 H new ATOM 0 HB ILE A 70 -5.767 -1.464 7.416 1.00 42.42 H new ATOM 0 HG12 ILE A 70 -7.939 0.671 7.690 1.00 52.55 H new ATOM 0 HG13 ILE A 70 -8.242 -1.019 8.042 1.00 52.55 H new ATOM 0 HG21 ILE A 70 -4.941 0.845 7.623 1.00 12.33 H new ATOM 0 HG22 ILE A 70 -4.619 0.163 6.011 1.00 12.33 H new ATOM 0 HG23 ILE A 70 -5.945 1.329 6.235 1.00 12.33 H new ATOM 0 HD11 ILE A 70 -7.813 0.240 10.088 1.00 61.55 H new ATOM 0 HD12 ILE A 70 -6.534 -0.968 9.821 1.00 61.55 H new ATOM 0 HD13 ILE A 70 -6.226 0.748 9.463 1.00 61.55 H new ATOM 1145 N ILE A 71 -5.376 -2.721 4.747 1.00 30.22 N ATOM 1146 CA ILE A 71 -4.446 -3.268 3.734 1.00 42.30 C ATOM 1147 C ILE A 71 -5.179 -3.441 2.388 1.00 14.14 C ATOM 1148 O ILE A 71 -4.662 -3.050 1.358 1.00 65.14 O ATOM 1149 CB ILE A 71 -3.828 -4.651 4.180 1.00 51.12 C ATOM 1150 CG1 ILE A 71 -3.053 -4.511 5.527 1.00 54.30 C ATOM 1151 CG2 ILE A 71 -2.911 -5.252 3.080 1.00 54.34 C ATOM 1152 CD1 ILE A 71 -2.561 -5.828 6.105 1.00 33.33 C ATOM 0 H ILE A 71 -5.479 -3.316 5.569 1.00 30.22 H new ATOM 0 HA ILE A 71 -3.627 -2.557 3.626 1.00 42.30 H new ATOM 0 HB ILE A 71 -4.658 -5.341 4.332 1.00 51.12 H new ATOM 0 HG12 ILE A 71 -2.198 -3.853 5.374 1.00 54.30 H new ATOM 0 HG13 ILE A 71 -3.701 -4.027 6.257 1.00 54.30 H new ATOM 0 HG21 ILE A 71 -2.505 -6.203 3.424 1.00 54.34 H new ATOM 0 HG22 ILE A 71 -3.491 -5.413 2.171 1.00 54.34 H new ATOM 0 HG23 ILE A 71 -2.093 -4.562 2.871 1.00 54.34 H new ATOM 0 HD11 ILE A 71 -2.033 -5.640 7.040 1.00 33.33 H new ATOM 0 HD12 ILE A 71 -3.412 -6.483 6.293 1.00 33.33 H new ATOM 0 HD13 ILE A 71 -1.885 -6.306 5.396 1.00 33.33 H new ATOM 1164 N LYS A 72 -6.422 -3.968 2.445 1.00 15.44 N ATOM 1165 CA LYS A 72 -7.275 -4.205 1.259 1.00 11.23 C ATOM 1166 C LYS A 72 -7.493 -2.890 0.482 1.00 12.01 C ATOM 1167 O LYS A 72 -7.363 -2.871 -0.746 1.00 70.31 O ATOM 1168 CB LYS A 72 -8.634 -4.821 1.708 1.00 64.53 C ATOM 1169 CG LYS A 72 -9.667 -5.066 0.581 1.00 64.04 C ATOM 1170 CD LYS A 72 -9.222 -6.155 -0.425 1.00 21.41 C ATOM 1171 CE LYS A 72 -10.130 -6.210 -1.665 1.00 50.31 C ATOM 1172 NZ LYS A 72 -10.094 -4.930 -2.431 1.00 62.41 N ATOM 0 H LYS A 72 -6.865 -4.243 3.322 1.00 15.44 H new ATOM 0 HA LYS A 72 -6.777 -4.908 0.591 1.00 11.23 H new ATOM 0 HB2 LYS A 72 -8.435 -5.770 2.205 1.00 64.53 H new ATOM 0 HB3 LYS A 72 -9.083 -4.161 2.450 1.00 64.53 H new ATOM 0 HG2 LYS A 72 -10.618 -5.358 1.026 1.00 64.04 H new ATOM 0 HG3 LYS A 72 -9.839 -4.133 0.045 1.00 64.04 H new ATOM 0 HD2 LYS A 72 -8.196 -5.961 -0.737 1.00 21.41 H new ATOM 0 HD3 LYS A 72 -9.226 -7.127 0.069 1.00 21.41 H new ATOM 0 HE2 LYS A 72 -9.815 -7.030 -2.311 1.00 50.31 H new ATOM 0 HE3 LYS A 72 -11.154 -6.422 -1.357 1.00 50.31 H new ATOM 0 HZ1 LYS A 72 -10.487 -5.083 -3.382 1.00 62.41 H new ATOM 0 HZ2 LYS A 72 -10.659 -4.212 -1.934 1.00 62.41 H new ATOM 0 HZ3 LYS A 72 -9.111 -4.601 -2.512 1.00 62.41 H new ATOM 1186 N LEU A 73 -7.773 -1.797 1.235 1.00 14.02 N ATOM 1187 CA LEU A 73 -7.957 -0.445 0.665 1.00 52.43 C ATOM 1188 C LEU A 73 -6.652 0.067 0.020 1.00 34.42 C ATOM 1189 O LEU A 73 -6.703 0.680 -1.040 1.00 33.44 O ATOM 1190 CB LEU A 73 -8.487 0.575 1.736 1.00 63.21 C ATOM 1191 CG LEU A 73 -10.048 0.694 1.875 1.00 61.43 C ATOM 1192 CD1 LEU A 73 -10.694 -0.603 2.383 1.00 32.30 C ATOM 1193 CD2 LEU A 73 -10.440 1.902 2.754 1.00 44.54 C ATOM 0 H LEU A 73 -7.877 -1.831 2.249 1.00 14.02 H new ATOM 0 HA LEU A 73 -8.716 -0.525 -0.113 1.00 52.43 H new ATOM 0 HB2 LEU A 73 -8.078 0.295 2.707 1.00 63.21 H new ATOM 0 HB3 LEU A 73 -8.089 1.561 1.495 1.00 63.21 H new ATOM 0 HG LEU A 73 -10.441 0.865 0.873 1.00 61.43 H new ATOM 0 HD11 LEU A 73 -11.773 -0.466 2.461 1.00 32.30 H new ATOM 0 HD12 LEU A 73 -10.480 -1.413 1.686 1.00 32.30 H new ATOM 0 HD13 LEU A 73 -10.288 -0.852 3.364 1.00 32.30 H new ATOM 0 HD21 LEU A 73 -11.526 1.958 2.832 1.00 44.54 H new ATOM 0 HD22 LEU A 73 -10.011 1.783 3.749 1.00 44.54 H new ATOM 0 HD23 LEU A 73 -10.061 2.819 2.303 1.00 44.54 H new ATOM 1205 N ILE A 74 -5.494 -0.210 0.660 1.00 75.34 N ATOM 1206 CA ILE A 74 -4.170 0.195 0.142 1.00 12.02 C ATOM 1207 C ILE A 74 -3.883 -0.526 -1.190 1.00 33.52 C ATOM 1208 O ILE A 74 -3.581 0.109 -2.194 1.00 42.13 O ATOM 1209 CB ILE A 74 -3.013 -0.109 1.183 1.00 70.54 C ATOM 1210 CG1 ILE A 74 -3.260 0.667 2.518 1.00 13.03 C ATOM 1211 CG2 ILE A 74 -1.612 0.222 0.600 1.00 62.12 C ATOM 1212 CD1 ILE A 74 -2.286 0.378 3.646 1.00 3.23 C ATOM 0 H ILE A 74 -5.452 -0.717 1.544 1.00 75.34 H new ATOM 0 HA ILE A 74 -4.193 1.272 -0.023 1.00 12.02 H new ATOM 0 HB ILE A 74 -3.030 -1.178 1.394 1.00 70.54 H new ATOM 0 HG12 ILE A 74 -3.231 1.736 2.305 1.00 13.03 H new ATOM 0 HG13 ILE A 74 -4.267 0.439 2.867 1.00 13.03 H new ATOM 0 HG21 ILE A 74 -0.847 0.000 1.344 1.00 62.12 H new ATOM 0 HG22 ILE A 74 -1.437 -0.380 -0.291 1.00 62.12 H new ATOM 0 HG23 ILE A 74 -1.567 1.279 0.338 1.00 62.12 H new ATOM 0 HD11 ILE A 74 -2.555 0.972 4.520 1.00 3.23 H new ATOM 0 HD12 ILE A 74 -2.327 -0.681 3.900 1.00 3.23 H new ATOM 0 HD13 ILE A 74 -1.275 0.636 3.329 1.00 3.23 H new ATOM 1224 N GLU A 75 -4.076 -1.852 -1.181 1.00 23.22 N ATOM 1225 CA GLU A 75 -3.648 -2.757 -2.262 1.00 63.02 C ATOM 1226 C GLU A 75 -4.470 -2.587 -3.550 1.00 61.20 C ATOM 1227 O GLU A 75 -3.915 -2.678 -4.654 1.00 5.44 O ATOM 1228 CB GLU A 75 -3.696 -4.220 -1.766 1.00 60.20 C ATOM 1229 CG GLU A 75 -2.726 -4.521 -0.607 1.00 42.22 C ATOM 1230 CD GLU A 75 -1.265 -4.169 -0.935 1.00 21.13 C ATOM 1231 OE1 GLU A 75 -0.671 -4.862 -1.801 1.00 53.42 O ATOM 1232 OE2 GLU A 75 -0.720 -3.206 -0.351 1.00 23.44 O ATOM 0 H GLU A 75 -4.540 -2.335 -0.412 1.00 23.22 H new ATOM 0 HA GLU A 75 -2.623 -2.492 -2.522 1.00 63.02 H new ATOM 0 HB2 GLU A 75 -4.712 -4.451 -1.445 1.00 60.20 H new ATOM 0 HB3 GLU A 75 -3.466 -4.883 -2.600 1.00 60.20 H new ATOM 0 HG2 GLU A 75 -3.039 -3.962 0.275 1.00 42.22 H new ATOM 0 HG3 GLU A 75 -2.790 -5.579 -0.353 1.00 42.22 H new ATOM 1239 N GLU A 76 -5.788 -2.349 -3.410 1.00 22.54 N ATOM 1240 CA GLU A 76 -6.670 -2.118 -4.574 1.00 3.40 C ATOM 1241 C GLU A 76 -6.345 -0.760 -5.226 1.00 25.31 C ATOM 1242 O GLU A 76 -6.385 -0.630 -6.449 1.00 20.12 O ATOM 1243 CB GLU A 76 -8.168 -2.218 -4.170 1.00 44.13 C ATOM 1244 CG GLU A 76 -8.651 -1.175 -3.144 1.00 12.42 C ATOM 1245 CD GLU A 76 -10.092 -1.428 -2.663 1.00 71.03 C ATOM 1246 OE1 GLU A 76 -11.046 -0.978 -3.334 1.00 50.24 O ATOM 1247 OE2 GLU A 76 -10.279 -2.089 -1.615 1.00 73.34 O ATOM 0 H GLU A 76 -6.265 -2.311 -2.509 1.00 22.54 H new ATOM 0 HA GLU A 76 -6.485 -2.899 -5.312 1.00 3.40 H new ATOM 0 HB2 GLU A 76 -8.776 -2.125 -5.070 1.00 44.13 H new ATOM 0 HB3 GLU A 76 -8.351 -3.213 -3.764 1.00 44.13 H new ATOM 0 HG2 GLU A 76 -7.980 -1.181 -2.285 1.00 12.42 H new ATOM 0 HG3 GLU A 76 -8.591 -0.181 -3.588 1.00 12.42 H new ATOM 1254 N ARG A 77 -5.960 0.218 -4.382 1.00 73.33 N ATOM 1255 CA ARG A 77 -5.641 1.590 -4.808 1.00 33.11 C ATOM 1256 C ARG A 77 -4.243 1.689 -5.451 1.00 64.04 C ATOM 1257 O ARG A 77 -4.070 2.456 -6.411 1.00 44.14 O ATOM 1258 CB ARG A 77 -5.713 2.557 -3.602 1.00 71.02 C ATOM 1259 CG ARG A 77 -7.124 2.910 -3.103 1.00 34.41 C ATOM 1260 CD ARG A 77 -7.898 3.810 -4.070 1.00 71.33 C ATOM 1261 NE ARG A 77 -9.125 4.317 -3.444 1.00 11.15 N ATOM 1262 CZ ARG A 77 -10.260 4.608 -4.080 1.00 52.41 C ATOM 1263 NH1 ARG A 77 -10.378 4.458 -5.403 1.00 23.11 N ATOM 1264 NH2 ARG A 77 -11.285 5.051 -3.376 1.00 10.21 N ATOM 0 H ARG A 77 -5.862 0.074 -3.377 1.00 73.33 H new ATOM 0 HA ARG A 77 -6.381 1.870 -5.558 1.00 33.11 H new ATOM 0 HB2 ARG A 77 -5.157 2.116 -2.775 1.00 71.02 H new ATOM 0 HB3 ARG A 77 -5.203 3.482 -3.872 1.00 71.02 H new ATOM 0 HG2 ARG A 77 -7.687 1.990 -2.944 1.00 34.41 H new ATOM 0 HG3 ARG A 77 -7.047 3.408 -2.136 1.00 34.41 H new ATOM 0 HD2 ARG A 77 -7.270 4.646 -4.377 1.00 71.33 H new ATOM 0 HD3 ARG A 77 -8.149 3.251 -4.972 1.00 71.33 H new ATOM 0 HE ARG A 77 -9.108 4.459 -2.434 1.00 11.15 H new ATOM 0 HH11 ARG A 77 -9.589 4.114 -5.950 1.00 23.11 H new ATOM 0 HH12 ARG A 77 -11.257 4.688 -5.866 1.00 23.11 H new ATOM 0 HH21 ARG A 77 -11.199 5.165 -2.366 1.00 10.21 H new ATOM 0 HH22 ARG A 77 -12.163 5.280 -3.842 1.00 10.21 H new ATOM 1278 N ILE A 78 -3.236 0.951 -4.899 1.00 63.21 N ATOM 1279 CA ILE A 78 -1.860 0.999 -5.439 1.00 61.14 C ATOM 1280 C ILE A 78 -1.872 0.424 -6.850 1.00 41.12 C ATOM 1281 O ILE A 78 -1.397 1.064 -7.766 1.00 64.23 O ATOM 1282 CB ILE A 78 -0.744 0.292 -4.544 1.00 34.42 C ATOM 1283 CG1 ILE A 78 -0.947 -1.248 -4.400 1.00 33.33 C ATOM 1284 CG2 ILE A 78 -0.636 0.949 -3.151 1.00 15.41 C ATOM 1285 CD1 ILE A 78 0.165 -1.977 -3.652 1.00 60.12 C ATOM 0 H ILE A 78 -3.355 0.331 -4.098 1.00 63.21 H new ATOM 0 HA ILE A 78 -1.566 2.049 -5.439 1.00 61.14 H new ATOM 0 HB ILE A 78 0.194 0.438 -5.080 1.00 34.42 H new ATOM 0 HG12 ILE A 78 -1.890 -1.428 -3.884 1.00 33.33 H new ATOM 0 HG13 ILE A 78 -1.040 -1.682 -5.396 1.00 33.33 H new ATOM 0 HG21 ILE A 78 0.133 0.442 -2.568 1.00 15.41 H new ATOM 0 HG22 ILE A 78 -0.372 2.000 -3.264 1.00 15.41 H new ATOM 0 HG23 ILE A 78 -1.593 0.869 -2.636 1.00 15.41 H new ATOM 0 HD11 ILE A 78 -0.066 -3.041 -3.604 1.00 60.12 H new ATOM 0 HD12 ILE A 78 1.110 -1.834 -4.176 1.00 60.12 H new ATOM 0 HD13 ILE A 78 0.247 -1.577 -2.641 1.00 60.12 H new ATOM 1297 N GLU A 79 -2.536 -0.739 -7.009 1.00 25.24 N ATOM 1298 CA GLU A 79 -2.659 -1.428 -8.296 1.00 22.42 C ATOM 1299 C GLU A 79 -3.500 -0.591 -9.294 1.00 13.24 C ATOM 1300 O GLU A 79 -3.181 -0.550 -10.482 1.00 24.14 O ATOM 1301 CB GLU A 79 -3.266 -2.838 -8.075 1.00 40.15 C ATOM 1302 CG GLU A 79 -3.367 -3.686 -9.355 1.00 13.11 C ATOM 1303 CD GLU A 79 -3.862 -5.123 -9.117 1.00 61.24 C ATOM 1304 OE1 GLU A 79 -5.084 -5.328 -8.989 1.00 50.41 O ATOM 1305 OE2 GLU A 79 -3.036 -6.055 -9.080 1.00 4.10 O ATOM 0 H GLU A 79 -3.001 -1.223 -6.241 1.00 25.24 H new ATOM 0 HA GLU A 79 -1.669 -1.546 -8.736 1.00 22.42 H new ATOM 0 HB2 GLU A 79 -2.659 -3.373 -7.345 1.00 40.15 H new ATOM 0 HB3 GLU A 79 -4.261 -2.730 -7.644 1.00 40.15 H new ATOM 0 HG2 GLU A 79 -4.042 -3.191 -10.054 1.00 13.11 H new ATOM 0 HG3 GLU A 79 -2.387 -3.724 -9.831 1.00 13.11 H new ATOM 1312 N GLU A 80 -4.544 0.100 -8.778 1.00 62.04 N ATOM 1313 CA GLU A 80 -5.413 1.002 -9.576 1.00 53.34 C ATOM 1314 C GLU A 80 -4.583 2.099 -10.282 1.00 53.32 C ATOM 1315 O GLU A 80 -4.606 2.208 -11.512 1.00 21.41 O ATOM 1316 CB GLU A 80 -6.476 1.637 -8.635 1.00 61.04 C ATOM 1317 CG GLU A 80 -7.473 2.616 -9.286 1.00 14.23 C ATOM 1318 CD GLU A 80 -8.514 3.153 -8.282 1.00 22.21 C ATOM 1319 OE1 GLU A 80 -8.235 4.153 -7.587 1.00 53.12 O ATOM 1320 OE2 GLU A 80 -9.618 2.574 -8.170 1.00 4.11 O ATOM 0 H GLU A 80 -4.809 0.048 -7.794 1.00 62.04 H new ATOM 0 HA GLU A 80 -5.910 0.423 -10.354 1.00 53.34 H new ATOM 0 HB2 GLU A 80 -7.044 0.832 -8.169 1.00 61.04 H new ATOM 0 HB3 GLU A 80 -5.954 2.163 -7.836 1.00 61.04 H new ATOM 0 HG2 GLU A 80 -6.925 3.453 -9.719 1.00 14.23 H new ATOM 0 HG3 GLU A 80 -7.988 2.114 -10.105 1.00 14.23 H new ATOM 1327 N GLU A 81 -3.815 2.858 -9.484 1.00 23.22 N ATOM 1328 CA GLU A 81 -3.040 4.015 -9.975 1.00 45.03 C ATOM 1329 C GLU A 81 -1.758 3.584 -10.706 1.00 4.24 C ATOM 1330 O GLU A 81 -1.295 4.290 -11.618 1.00 24.05 O ATOM 1331 CB GLU A 81 -2.700 4.960 -8.801 1.00 45.12 C ATOM 1332 CG GLU A 81 -3.923 5.624 -8.142 1.00 63.41 C ATOM 1333 CD GLU A 81 -4.743 6.481 -9.124 1.00 24.11 C ATOM 1334 OE1 GLU A 81 -4.212 7.498 -9.631 1.00 12.31 O ATOM 1335 OE2 GLU A 81 -5.917 6.153 -9.394 1.00 72.42 O ATOM 0 H GLU A 81 -3.712 2.690 -8.483 1.00 23.22 H new ATOM 0 HA GLU A 81 -3.660 4.545 -10.698 1.00 45.03 H new ATOM 0 HB2 GLU A 81 -2.156 4.396 -8.043 1.00 45.12 H new ATOM 0 HB3 GLU A 81 -2.029 5.740 -9.161 1.00 45.12 H new ATOM 0 HG2 GLU A 81 -4.565 4.852 -7.719 1.00 63.41 H new ATOM 0 HG3 GLU A 81 -3.588 6.249 -7.314 1.00 63.41 H new ATOM 1342 N LEU A 82 -1.182 2.437 -10.289 1.00 42.32 N ATOM 1343 CA LEU A 82 0.029 1.874 -10.916 1.00 61.13 C ATOM 1344 C LEU A 82 -0.261 1.477 -12.366 1.00 55.30 C ATOM 1345 O LEU A 82 0.450 1.897 -13.248 1.00 51.43 O ATOM 1346 CB LEU A 82 0.583 0.654 -10.113 1.00 61.01 C ATOM 1347 CG LEU A 82 1.459 0.983 -8.861 1.00 61.35 C ATOM 1348 CD1 LEU A 82 1.883 -0.309 -8.125 1.00 11.31 C ATOM 1349 CD2 LEU A 82 2.682 1.836 -9.249 1.00 13.11 C ATOM 0 H LEU A 82 -1.541 1.880 -9.514 1.00 42.32 H new ATOM 0 HA LEU A 82 0.798 2.647 -10.907 1.00 61.13 H new ATOM 0 HB2 LEU A 82 -0.262 0.047 -9.788 1.00 61.01 H new ATOM 0 HB3 LEU A 82 1.175 0.039 -10.791 1.00 61.01 H new ATOM 0 HG LEU A 82 0.853 1.571 -8.172 1.00 61.35 H new ATOM 0 HD11 LEU A 82 2.491 -0.051 -7.258 1.00 11.31 H new ATOM 0 HD12 LEU A 82 0.995 -0.849 -7.797 1.00 11.31 H new ATOM 0 HD13 LEU A 82 2.462 -0.939 -8.800 1.00 11.31 H new ATOM 0 HD21 LEU A 82 3.274 2.050 -8.359 1.00 13.11 H new ATOM 0 HD22 LEU A 82 3.293 1.290 -9.968 1.00 13.11 H new ATOM 0 HD23 LEU A 82 2.346 2.772 -9.695 1.00 13.11 H new ATOM 1361 N ARG A 83 -1.355 0.720 -12.587 1.00 32.33 N ATOM 1362 CA ARG A 83 -1.736 0.199 -13.929 1.00 30.32 C ATOM 1363 C ARG A 83 -2.018 1.327 -14.952 1.00 44.44 C ATOM 1364 O ARG A 83 -1.972 1.093 -16.163 1.00 41.33 O ATOM 1365 CB ARG A 83 -2.961 -0.750 -13.821 1.00 31.14 C ATOM 1366 CG ARG A 83 -2.648 -2.121 -13.186 1.00 34.13 C ATOM 1367 CD ARG A 83 -3.858 -3.076 -13.189 1.00 21.44 C ATOM 1368 NE ARG A 83 -3.537 -4.359 -12.549 1.00 21.42 N ATOM 1369 CZ ARG A 83 -4.169 -5.525 -12.752 1.00 33.12 C ATOM 1370 NH1 ARG A 83 -5.194 -5.623 -13.603 1.00 24.23 N ATOM 1371 NH2 ARG A 83 -3.765 -6.596 -12.082 1.00 12.01 N ATOM 0 H ARG A 83 -2.002 0.449 -11.846 1.00 32.33 H new ATOM 0 HA ARG A 83 -0.878 -0.362 -14.301 1.00 30.32 H new ATOM 0 HB2 ARG A 83 -3.736 -0.259 -13.233 1.00 31.14 H new ATOM 0 HB3 ARG A 83 -3.371 -0.910 -14.818 1.00 31.14 H new ATOM 0 HG2 ARG A 83 -1.824 -2.586 -13.727 1.00 34.13 H new ATOM 0 HG3 ARG A 83 -2.312 -1.972 -12.160 1.00 34.13 H new ATOM 0 HD2 ARG A 83 -4.693 -2.608 -12.668 1.00 21.44 H new ATOM 0 HD3 ARG A 83 -4.181 -3.252 -14.215 1.00 21.44 H new ATOM 0 HE ARG A 83 -2.760 -4.364 -11.888 1.00 21.42 H new ATOM 0 HH11 ARG A 83 -5.512 -4.800 -14.115 1.00 24.23 H new ATOM 0 HH12 ARG A 83 -5.659 -6.521 -13.741 1.00 24.23 H new ATOM 0 HH21 ARG A 83 -2.987 -6.524 -11.426 1.00 12.01 H new ATOM 0 HH22 ARG A 83 -4.232 -7.492 -12.222 1.00 12.01 H new ATOM 1385 N LYS A 84 -2.306 2.538 -14.452 1.00 24.05 N ATOM 1386 CA LYS A 84 -2.583 3.720 -15.291 1.00 31.01 C ATOM 1387 C LYS A 84 -1.291 4.282 -15.928 1.00 25.10 C ATOM 1388 O LYS A 84 -1.296 4.699 -17.088 1.00 64.30 O ATOM 1389 CB LYS A 84 -3.297 4.804 -14.429 1.00 4.30 C ATOM 1390 CG LYS A 84 -4.735 4.408 -14.005 1.00 22.11 C ATOM 1391 CD LYS A 84 -5.325 5.291 -12.874 1.00 61.41 C ATOM 1392 CE LYS A 84 -5.417 6.784 -13.223 1.00 32.42 C ATOM 1393 NZ LYS A 84 -6.057 7.561 -12.121 1.00 23.01 N ATOM 0 H LYS A 84 -2.354 2.729 -13.451 1.00 24.05 H new ATOM 0 HA LYS A 84 -3.236 3.422 -16.111 1.00 31.01 H new ATOM 0 HB2 LYS A 84 -2.703 4.996 -13.535 1.00 4.30 H new ATOM 0 HB3 LYS A 84 -3.336 5.737 -14.992 1.00 4.30 H new ATOM 0 HG2 LYS A 84 -5.388 4.466 -14.876 1.00 22.11 H new ATOM 0 HG3 LYS A 84 -4.733 3.369 -13.677 1.00 22.11 H new ATOM 0 HD2 LYS A 84 -6.321 4.926 -12.626 1.00 61.41 H new ATOM 0 HD3 LYS A 84 -4.711 5.175 -11.981 1.00 61.41 H new ATOM 0 HE2 LYS A 84 -4.419 7.177 -13.415 1.00 32.42 H new ATOM 0 HE3 LYS A 84 -5.991 6.910 -14.141 1.00 32.42 H new ATOM 0 HZ1 LYS A 84 -6.991 7.898 -12.431 1.00 23.01 H new ATOM 0 HZ2 LYS A 84 -6.168 6.952 -11.286 1.00 23.01 H new ATOM 0 HZ3 LYS A 84 -5.458 8.376 -11.878 1.00 23.01 H new ATOM 1407 N ARG A 85 -0.188 4.280 -15.160 1.00 22.34 N ATOM 1408 CA ARG A 85 1.088 4.946 -15.555 1.00 54.54 C ATOM 1409 C ARG A 85 2.169 3.911 -15.954 1.00 53.20 C ATOM 1410 O ARG A 85 3.082 4.208 -16.728 1.00 43.20 O ATOM 1411 CB ARG A 85 1.593 5.815 -14.370 1.00 11.12 C ATOM 1412 CG ARG A 85 0.542 6.772 -13.760 1.00 53.03 C ATOM 1413 CD ARG A 85 -0.055 7.758 -14.778 1.00 0.05 C ATOM 1414 NE ARG A 85 0.973 8.608 -15.397 1.00 13.40 N ATOM 1415 CZ ARG A 85 0.755 9.528 -16.353 1.00 42.43 C ATOM 1416 NH1 ARG A 85 -0.469 9.752 -16.838 1.00 65.35 N ATOM 1417 NH2 ARG A 85 1.780 10.225 -16.827 1.00 21.01 N ATOM 0 H ARG A 85 -0.145 3.822 -14.250 1.00 22.34 H new ATOM 0 HA ARG A 85 0.898 5.574 -16.425 1.00 54.54 H new ATOM 0 HB2 ARG A 85 1.957 5.153 -13.584 1.00 11.12 H new ATOM 0 HB3 ARG A 85 2.444 6.405 -14.710 1.00 11.12 H new ATOM 0 HG2 ARG A 85 -0.263 6.182 -13.322 1.00 53.03 H new ATOM 0 HG3 ARG A 85 1.003 7.335 -12.948 1.00 53.03 H new ATOM 0 HD2 ARG A 85 -0.580 7.202 -15.555 1.00 0.05 H new ATOM 0 HD3 ARG A 85 -0.794 8.387 -14.282 1.00 0.05 H new ATOM 0 HE ARG A 85 1.933 8.490 -15.074 1.00 13.40 H new ATOM 0 HH11 ARG A 85 -1.263 9.220 -16.483 1.00 65.35 H new ATOM 0 HH12 ARG A 85 -0.609 10.455 -17.563 1.00 65.35 H new ATOM 0 HH21 ARG A 85 2.720 10.060 -16.466 1.00 21.01 H new ATOM 0 HH22 ARG A 85 1.628 10.926 -17.552 1.00 21.01 H new ATOM 1431 N ASP A 86 2.056 2.723 -15.358 1.00 11.14 N ATOM 1432 CA ASP A 86 2.897 1.536 -15.616 1.00 20.00 C ATOM 1433 C ASP A 86 1.955 0.304 -15.601 1.00 13.42 C ATOM 1434 O ASP A 86 1.677 -0.234 -14.525 1.00 24.45 O ATOM 1435 CB ASP A 86 4.008 1.357 -14.517 1.00 61.41 C ATOM 1436 CG ASP A 86 4.945 2.564 -14.339 1.00 45.53 C ATOM 1437 OD1 ASP A 86 4.612 3.487 -13.562 1.00 21.32 O ATOM 1438 OD2 ASP A 86 6.022 2.601 -14.971 1.00 61.13 O ATOM 0 H ASP A 86 1.345 2.546 -14.648 1.00 11.14 H new ATOM 0 HA ASP A 86 3.407 1.649 -16.573 1.00 20.00 H new ATOM 0 HB2 ASP A 86 3.524 1.148 -13.563 1.00 61.41 H new ATOM 0 HB3 ASP A 86 4.609 0.483 -14.768 1.00 61.41 H new ATOM 1443 N PRO A 87 1.399 -0.146 -16.773 1.00 30.23 N ATOM 1444 CA PRO A 87 0.397 -1.251 -16.816 1.00 3.33 C ATOM 1445 C PRO A 87 0.930 -2.586 -16.242 1.00 72.20 C ATOM 1446 O PRO A 87 0.171 -3.351 -15.639 1.00 73.20 O ATOM 1447 CB PRO A 87 0.039 -1.360 -18.329 1.00 53.23 C ATOM 1448 CG PRO A 87 1.196 -0.729 -19.042 1.00 41.44 C ATOM 1449 CD PRO A 87 1.678 0.387 -18.133 1.00 13.40 C ATOM 0 HA PRO A 87 -0.468 -1.040 -16.188 1.00 3.33 H new ATOM 0 HB2 PRO A 87 -0.093 -2.399 -18.631 1.00 53.23 H new ATOM 0 HB3 PRO A 87 -0.894 -0.843 -18.553 1.00 53.23 H new ATOM 0 HG2 PRO A 87 1.988 -1.456 -19.224 1.00 41.44 H new ATOM 0 HG3 PRO A 87 0.892 -0.339 -20.014 1.00 41.44 H new ATOM 0 HD2 PRO A 87 2.739 0.594 -18.276 1.00 13.40 H new ATOM 0 HD3 PRO A 87 1.143 1.319 -18.319 1.00 13.40 H new ATOM 1457 N ASN A 88 2.247 -2.817 -16.385 1.00 43.41 N ATOM 1458 CA ASN A 88 2.913 -4.065 -15.950 1.00 73.03 C ATOM 1459 C ASN A 88 3.469 -3.942 -14.512 1.00 1.41 C ATOM 1460 O ASN A 88 4.331 -4.737 -14.107 1.00 0.22 O ATOM 1461 CB ASN A 88 4.051 -4.417 -16.948 1.00 62.02 C ATOM 1462 CG ASN A 88 3.540 -4.729 -18.358 1.00 32.13 C ATOM 1463 OD1 ASN A 88 3.362 -3.825 -19.182 1.00 41.42 O ATOM 1464 ND2 ASN A 88 3.307 -6.005 -18.656 1.00 33.00 N ATOM 0 H ASN A 88 2.885 -2.142 -16.807 1.00 43.41 H new ATOM 0 HA ASN A 88 2.174 -4.866 -15.943 1.00 73.03 H new ATOM 0 HB2 ASN A 88 4.752 -3.584 -16.998 1.00 62.02 H new ATOM 0 HB3 ASN A 88 4.604 -5.277 -16.570 1.00 62.02 H new ATOM 0 HD21 ASN A 88 2.972 -6.259 -19.586 1.00 33.00 H new ATOM 0 HD22 ASN A 88 3.463 -6.729 -17.955 1.00 33.00 H new ATOM 1471 N ALA A 89 2.951 -2.966 -13.731 1.00 5.12 N ATOM 1472 CA ALA A 89 3.381 -2.734 -12.335 1.00 64.25 C ATOM 1473 C ALA A 89 2.758 -3.779 -11.389 1.00 62.22 C ATOM 1474 O ALA A 89 1.809 -3.492 -10.644 1.00 40.40 O ATOM 1475 CB ALA A 89 3.052 -1.296 -11.891 1.00 60.02 C ATOM 0 H ALA A 89 2.228 -2.321 -14.050 1.00 5.12 H new ATOM 0 HA ALA A 89 4.464 -2.851 -12.285 1.00 64.25 H new ATOM 0 HB1 ALA A 89 3.378 -1.150 -10.861 1.00 60.02 H new ATOM 0 HB2 ALA A 89 3.569 -0.588 -12.539 1.00 60.02 H new ATOM 0 HB3 ALA A 89 1.977 -1.131 -11.958 1.00 60.02 H new ATOM 1481 N THR A 90 3.311 -5.002 -11.445 1.00 13.03 N ATOM 1482 CA THR A 90 2.803 -6.161 -10.704 1.00 22.25 C ATOM 1483 C THR A 90 3.395 -6.191 -9.283 1.00 44.21 C ATOM 1484 O THR A 90 4.617 -6.125 -9.113 1.00 3.43 O ATOM 1485 CB THR A 90 3.160 -7.476 -11.469 1.00 63.21 C ATOM 1486 OG1 THR A 90 2.644 -7.401 -12.820 1.00 43.24 O ATOM 1487 CG2 THR A 90 2.604 -8.741 -10.774 1.00 4.05 C ATOM 0 H THR A 90 4.132 -5.212 -12.013 1.00 13.03 H new ATOM 0 HA THR A 90 1.719 -6.081 -10.623 1.00 22.25 H new ATOM 0 HB THR A 90 4.247 -7.563 -11.476 1.00 63.21 H new ATOM 0 HG1 THR A 90 2.868 -8.224 -13.302 1.00 43.24 H new ATOM 0 HG21 THR A 90 2.882 -9.624 -11.349 1.00 4.05 H new ATOM 0 HG22 THR A 90 3.020 -8.816 -9.769 1.00 4.05 H new ATOM 0 HG23 THR A 90 1.518 -8.675 -10.713 1.00 4.05 H new ATOM 1495 N ILE A 91 2.509 -6.268 -8.279 1.00 74.22 N ATOM 1496 CA ILE A 91 2.895 -6.305 -6.854 1.00 2.22 C ATOM 1497 C ILE A 91 2.940 -7.765 -6.347 1.00 61.33 C ATOM 1498 O ILE A 91 2.217 -8.630 -6.862 1.00 43.03 O ATOM 1499 CB ILE A 91 1.930 -5.426 -5.951 1.00 51.52 C ATOM 1500 CG1 ILE A 91 0.513 -6.075 -5.698 1.00 2.33 C ATOM 1501 CG2 ILE A 91 1.777 -3.999 -6.542 1.00 63.12 C ATOM 1502 CD1 ILE A 91 -0.432 -6.119 -6.889 1.00 63.52 C ATOM 0 H ILE A 91 1.501 -6.307 -8.429 1.00 74.22 H new ATOM 0 HA ILE A 91 3.892 -5.871 -6.773 1.00 2.22 H new ATOM 0 HB ILE A 91 2.410 -5.370 -4.974 1.00 51.52 H new ATOM 0 HG12 ILE A 91 0.663 -7.094 -5.342 1.00 2.33 H new ATOM 0 HG13 ILE A 91 0.024 -5.525 -4.894 1.00 2.33 H new ATOM 0 HG21 ILE A 91 1.112 -3.412 -5.909 1.00 63.12 H new ATOM 0 HG22 ILE A 91 2.754 -3.517 -6.587 1.00 63.12 H new ATOM 0 HG23 ILE A 91 1.358 -4.064 -7.546 1.00 63.12 H new ATOM 0 HD11 ILE A 91 -1.371 -6.586 -6.591 1.00 63.52 H new ATOM 0 HD12 ILE A 91 -0.626 -5.105 -7.237 1.00 63.52 H new ATOM 0 HD13 ILE A 91 0.023 -6.698 -7.693 1.00 63.52 H new ATOM 1514 N THR A 92 3.822 -8.046 -5.371 1.00 30.41 N ATOM 1515 CA THR A 92 3.936 -9.369 -4.730 1.00 52.24 C ATOM 1516 C THR A 92 3.601 -9.230 -3.236 1.00 31.24 C ATOM 1517 O THR A 92 4.399 -8.705 -2.459 1.00 4.15 O ATOM 1518 CB THR A 92 5.381 -9.947 -4.900 1.00 32.53 C ATOM 1519 OG1 THR A 92 5.777 -9.875 -6.282 1.00 52.32 O ATOM 1520 CG2 THR A 92 5.500 -11.398 -4.396 1.00 64.31 C ATOM 0 H THR A 92 4.479 -7.358 -5.003 1.00 30.41 H new ATOM 0 HA THR A 92 3.238 -10.057 -5.207 1.00 52.24 H new ATOM 0 HB THR A 92 6.046 -9.338 -4.289 1.00 32.53 H new ATOM 0 HG1 THR A 92 6.045 -8.957 -6.498 1.00 52.32 H new ATOM 0 HG21 THR A 92 6.522 -11.750 -4.537 1.00 64.31 H new ATOM 0 HG22 THR A 92 5.246 -11.437 -3.337 1.00 64.31 H new ATOM 0 HG23 THR A 92 4.816 -12.035 -4.957 1.00 64.31 H new ATOM 1528 N ARG A 93 2.422 -9.703 -2.840 1.00 2.42 N ATOM 1529 CA ARG A 93 1.905 -9.536 -1.477 1.00 71.22 C ATOM 1530 C ARG A 93 2.384 -10.696 -0.591 1.00 32.14 C ATOM 1531 O ARG A 93 1.961 -11.839 -0.768 1.00 23.23 O ATOM 1532 CB ARG A 93 0.368 -9.451 -1.542 1.00 22.45 C ATOM 1533 CG ARG A 93 -0.331 -9.073 -0.218 1.00 54.12 C ATOM 1534 CD ARG A 93 -1.798 -8.662 -0.445 1.00 75.11 C ATOM 1535 NE ARG A 93 -1.866 -7.601 -1.471 1.00 4.51 N ATOM 1536 CZ ARG A 93 -2.478 -7.682 -2.667 1.00 51.43 C ATOM 1537 NH1 ARG A 93 -3.129 -8.782 -3.040 1.00 53.33 N ATOM 1538 NH2 ARG A 93 -2.371 -6.662 -3.510 1.00 21.42 N ATOM 0 H ARG A 93 1.792 -10.216 -3.456 1.00 2.42 H new ATOM 0 HA ARG A 93 2.282 -8.616 -1.031 1.00 71.22 H new ATOM 0 HB2 ARG A 93 0.093 -8.718 -2.300 1.00 22.45 H new ATOM 0 HB3 ARG A 93 -0.018 -10.414 -1.875 1.00 22.45 H new ATOM 0 HG2 ARG A 93 -0.292 -9.919 0.468 1.00 54.12 H new ATOM 0 HG3 ARG A 93 0.207 -8.253 0.256 1.00 54.12 H new ATOM 0 HD2 ARG A 93 -2.383 -9.526 -0.762 1.00 75.11 H new ATOM 0 HD3 ARG A 93 -2.235 -8.307 0.488 1.00 75.11 H new ATOM 0 HE ARG A 93 -1.403 -6.719 -1.251 1.00 4.51 H new ATOM 0 HH11 ARG A 93 -3.171 -9.586 -2.414 1.00 53.33 H new ATOM 0 HH12 ARG A 93 -3.585 -8.820 -3.951 1.00 53.33 H new ATOM 0 HH21 ARG A 93 -1.833 -5.837 -3.246 1.00 21.42 H new ATOM 0 HH22 ARG A 93 -2.827 -6.704 -4.421 1.00 21.42 H new ATOM 1552 N THR A 94 3.317 -10.393 0.316 1.00 50.04 N ATOM 1553 CA THR A 94 3.897 -11.365 1.250 1.00 62.03 C ATOM 1554 C THR A 94 3.664 -10.871 2.689 1.00 43.20 C ATOM 1555 O THR A 94 4.319 -9.922 3.137 1.00 5.03 O ATOM 1556 CB THR A 94 5.430 -11.532 0.957 1.00 60.11 C ATOM 1557 OG1 THR A 94 5.628 -11.873 -0.432 1.00 51.33 O ATOM 1558 CG2 THR A 94 6.081 -12.605 1.844 1.00 12.21 C ATOM 0 H THR A 94 3.697 -9.453 0.424 1.00 50.04 H new ATOM 0 HA THR A 94 3.420 -12.337 1.126 1.00 62.03 H new ATOM 0 HB THR A 94 5.908 -10.580 1.185 1.00 60.11 H new ATOM 0 HG1 THR A 94 6.586 -11.974 -0.611 1.00 51.33 H new ATOM 0 HG21 THR A 94 7.141 -12.682 1.603 1.00 12.21 H new ATOM 0 HG22 THR A 94 5.967 -12.329 2.892 1.00 12.21 H new ATOM 0 HG23 THR A 94 5.598 -13.566 1.667 1.00 12.21 H new ATOM 1566 N VAL A 95 2.703 -11.491 3.401 1.00 41.05 N ATOM 1567 CA VAL A 95 2.368 -11.101 4.782 1.00 5.14 C ATOM 1568 C VAL A 95 3.383 -11.738 5.763 1.00 62.04 C ATOM 1569 O VAL A 95 3.545 -12.967 5.818 1.00 22.20 O ATOM 1570 CB VAL A 95 0.867 -11.442 5.149 1.00 13.41 C ATOM 1571 CG1 VAL A 95 0.555 -12.951 5.049 1.00 50.10 C ATOM 1572 CG2 VAL A 95 0.477 -10.866 6.538 1.00 52.03 C ATOM 0 H VAL A 95 2.145 -12.265 3.041 1.00 41.05 H new ATOM 0 HA VAL A 95 2.448 -10.017 4.869 1.00 5.14 H new ATOM 0 HB VAL A 95 0.246 -10.952 4.400 1.00 13.41 H new ATOM 0 HG11 VAL A 95 -0.488 -13.125 5.312 1.00 50.10 H new ATOM 0 HG12 VAL A 95 0.734 -13.293 4.030 1.00 50.10 H new ATOM 0 HG13 VAL A 95 1.199 -13.502 5.735 1.00 50.10 H new ATOM 0 HG21 VAL A 95 -0.560 -11.119 6.758 1.00 52.03 H new ATOM 0 HG22 VAL A 95 1.125 -11.292 7.304 1.00 52.03 H new ATOM 0 HG23 VAL A 95 0.592 -9.782 6.528 1.00 52.03 H new ATOM 1582 N ARG A 96 4.117 -10.871 6.472 1.00 44.25 N ATOM 1583 CA ARG A 96 5.159 -11.276 7.435 1.00 45.52 C ATOM 1584 C ARG A 96 4.523 -11.718 8.759 1.00 35.33 C ATOM 1585 O ARG A 96 4.909 -12.746 9.334 1.00 53.53 O ATOM 1586 CB ARG A 96 6.156 -10.109 7.663 1.00 63.34 C ATOM 1587 CG ARG A 96 7.041 -9.782 6.441 1.00 62.34 C ATOM 1588 CD ARG A 96 8.047 -8.643 6.732 1.00 33.24 C ATOM 1589 NE ARG A 96 9.125 -8.576 5.728 1.00 51.32 N ATOM 1590 CZ ARG A 96 10.331 -9.172 5.843 1.00 5.32 C ATOM 1591 NH1 ARG A 96 10.638 -9.907 6.915 1.00 44.11 N ATOM 1592 NH2 ARG A 96 11.231 -9.017 4.883 1.00 3.10 N ATOM 0 H ARG A 96 4.007 -9.860 6.396 1.00 44.25 H new ATOM 0 HA ARG A 96 5.708 -12.124 7.025 1.00 45.52 H new ATOM 0 HB2 ARG A 96 5.595 -9.216 7.940 1.00 63.34 H new ATOM 0 HB3 ARG A 96 6.800 -10.356 8.507 1.00 63.34 H new ATOM 0 HG2 ARG A 96 7.586 -10.677 6.140 1.00 62.34 H new ATOM 0 HG3 ARG A 96 6.407 -9.498 5.601 1.00 62.34 H new ATOM 0 HD2 ARG A 96 7.517 -7.691 6.756 1.00 33.24 H new ATOM 0 HD3 ARG A 96 8.483 -8.790 7.720 1.00 33.24 H new ATOM 0 HE ARG A 96 8.946 -8.037 4.881 1.00 51.32 H new ATOM 0 HH11 ARG A 96 9.956 -10.026 7.664 1.00 44.11 H new ATOM 0 HH12 ARG A 96 11.554 -10.350 6.984 1.00 44.11 H new ATOM 0 HH21 ARG A 96 11.011 -8.450 4.064 1.00 3.10 H new ATOM 0 HH22 ARG A 96 12.144 -9.464 4.963 1.00 3.10 H new ATOM 1606 N THR A 97 3.565 -10.913 9.242 1.00 2.54 N ATOM 1607 CA THR A 97 2.795 -11.230 10.448 1.00 60.10 C ATOM 1608 C THR A 97 1.857 -12.423 10.180 1.00 22.24 C ATOM 1609 O THR A 97 0.845 -12.287 9.480 1.00 44.15 O ATOM 1610 CB THR A 97 1.986 -9.985 10.936 1.00 23.33 C ATOM 1611 OG1 THR A 97 2.905 -8.918 11.224 1.00 72.34 O ATOM 1612 CG2 THR A 97 1.121 -10.272 12.187 1.00 50.40 C ATOM 0 H THR A 97 3.305 -10.028 8.807 1.00 2.54 H new ATOM 0 HA THR A 97 3.491 -11.506 11.240 1.00 60.10 H new ATOM 0 HB THR A 97 1.299 -9.710 10.136 1.00 23.33 H new ATOM 0 HG1 THR A 97 3.211 -8.991 12.152 1.00 72.34 H new ATOM 0 HG21 THR A 97 0.585 -9.367 12.474 1.00 50.40 H new ATOM 0 HG22 THR A 97 0.405 -11.062 11.961 1.00 50.40 H new ATOM 0 HG23 THR A 97 1.763 -10.589 13.008 1.00 50.40 H new