USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 581 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+ -129:sc= 0.0635 (180deg=0) USER MOD Single : A 2 SER OG : rot 44:sc= 1.29 USER MOD Single : A 5 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0665) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ -143:sc= 0 (180deg=-0.536) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.375 -11.951 -9.416 1.00 0.00 N ATOM 2 CA GLY A 1 -7.577 -11.579 -8.260 1.00 0.00 C ATOM 3 C GLY A 1 -8.217 -12.085 -6.966 1.00 0.00 C ATOM 4 O GLY A 1 -8.978 -13.052 -6.983 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.768 -12.411 -10.124 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.125 -12.609 -9.123 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.804 -11.099 -9.830 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.573 -11.992 -8.359 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.473 -10.495 -8.219 1.00 0.00 H new ATOM 8 N SER A 2 -7.885 -11.411 -5.875 1.00 0.00 N ATOM 9 CA SER A 2 -8.417 -11.781 -4.575 1.00 0.00 C ATOM 10 C SER A 2 -7.861 -10.848 -3.497 1.00 0.00 C ATOM 11 O SER A 2 -8.620 -10.247 -2.738 1.00 0.00 O ATOM 12 CB SER A 2 -8.089 -13.237 -4.239 1.00 0.00 C ATOM 13 OG SER A 2 -9.130 -14.124 -4.636 1.00 0.00 O ATOM 0 H SER A 2 -7.254 -10.610 -5.865 1.00 0.00 H new ATOM 0 HA SER A 2 -9.502 -11.681 -4.608 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.161 -13.523 -4.734 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.921 -13.332 -3.166 1.00 0.00 H new ATOM 0 HG SER A 2 -9.447 -13.877 -5.530 1.00 0.00 H new ATOM 19 N ARG A 3 -6.540 -10.757 -3.464 1.00 0.00 N ATOM 20 CA ARG A 3 -5.872 -9.908 -2.492 1.00 0.00 C ATOM 21 C ARG A 3 -5.135 -8.769 -3.199 1.00 0.00 C ATOM 22 O ARG A 3 -5.426 -7.597 -2.965 1.00 0.00 O ATOM 23 CB ARG A 3 -4.875 -10.709 -1.653 1.00 0.00 C ATOM 24 CG ARG A 3 -5.385 -10.895 -0.223 1.00 0.00 C ATOM 25 CD ARG A 3 -5.961 -12.300 -0.025 1.00 0.00 C ATOM 26 NE ARG A 3 -7.437 -12.233 0.070 1.00 0.00 N ATOM 27 CZ ARG A 3 -8.227 -13.300 0.251 1.00 0.00 C ATOM 28 NH1 ARG A 3 -7.687 -14.522 0.356 1.00 0.00 N ATOM 29 NH2 ARG A 3 -9.555 -13.144 0.326 1.00 0.00 N ATOM 0 H ARG A 3 -5.914 -11.257 -4.095 1.00 0.00 H new ATOM 0 HA ARG A 3 -6.636 -9.496 -1.832 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -4.708 -11.683 -2.113 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -3.914 -10.195 -1.636 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -4.570 -10.729 0.482 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -6.151 -10.150 -0.006 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -5.671 -12.942 -0.857 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -5.550 -12.746 0.880 1.00 0.00 H new ATOM 0 HE ARG A 3 -7.880 -11.318 -0.007 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -6.675 -14.639 0.298 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -8.288 -15.335 0.494 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -9.965 -12.213 0.245 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -10.157 -13.956 0.464 1.00 0.00 H new ATOM 43 N VAL A 4 -4.195 -9.153 -4.049 1.00 0.00 N ATOM 44 CA VAL A 4 -3.414 -8.179 -4.793 1.00 0.00 C ATOM 45 C VAL A 4 -4.359 -7.234 -5.537 1.00 0.00 C ATOM 46 O VAL A 4 -4.254 -6.015 -5.407 1.00 0.00 O ATOM 47 CB VAL A 4 -2.430 -8.894 -5.720 1.00 0.00 C ATOM 48 CG1 VAL A 4 -1.528 -7.891 -6.441 1.00 0.00 C ATOM 49 CG2 VAL A 4 -1.600 -9.924 -4.951 1.00 0.00 C ATOM 0 H VAL A 4 -3.956 -10.126 -4.240 1.00 0.00 H new ATOM 0 HA VAL A 4 -2.816 -7.571 -4.114 1.00 0.00 H new ATOM 0 HB VAL A 4 -3.009 -9.427 -6.475 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.838 -8.426 -7.094 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.140 -7.214 -7.037 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.962 -7.317 -5.707 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.909 -10.418 -5.634 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -1.037 -9.423 -4.164 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -2.263 -10.666 -4.506 1.00 0.00 H new ATOM 59 N LYS A 5 -5.262 -7.833 -6.301 1.00 0.00 N ATOM 60 CA LYS A 5 -6.225 -7.060 -7.066 1.00 0.00 C ATOM 61 C LYS A 5 -6.876 -6.018 -6.155 1.00 0.00 C ATOM 62 O LYS A 5 -6.714 -4.817 -6.366 1.00 0.00 O ATOM 63 CB LYS A 5 -7.229 -7.987 -7.755 1.00 0.00 C ATOM 64 CG LYS A 5 -8.267 -7.183 -8.541 1.00 0.00 C ATOM 65 CD LYS A 5 -7.947 -7.187 -10.037 1.00 0.00 C ATOM 66 CE LYS A 5 -8.767 -6.129 -10.776 1.00 0.00 C ATOM 67 NZ LYS A 5 -8.209 -4.780 -10.536 1.00 0.00 N ATOM 0 H LYS A 5 -5.346 -8.844 -6.406 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.726 -6.515 -7.867 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.702 -8.664 -8.428 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.730 -8.605 -7.010 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.259 -7.604 -8.377 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.292 -6.157 -8.174 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -6.884 -6.997 -10.186 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.157 -8.172 -10.455 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.769 -6.343 -11.845 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.804 -6.165 -10.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.642 -4.103 -11.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.412 -4.489 -9.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -7.180 -4.798 -10.685 1.00 0.00 H new ATOM 81 N ALA A 6 -7.598 -6.515 -5.161 1.00 0.00 N ATOM 82 CA ALA A 6 -8.273 -5.641 -4.217 1.00 0.00 C ATOM 83 C ALA A 6 -7.256 -4.679 -3.601 1.00 0.00 C ATOM 84 O ALA A 6 -7.629 -3.641 -3.056 1.00 0.00 O ATOM 85 CB ALA A 6 -8.989 -6.487 -3.162 1.00 0.00 C ATOM 0 H ALA A 6 -7.730 -7.512 -4.989 1.00 0.00 H new ATOM 0 HA ALA A 6 -9.029 -5.040 -4.723 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.496 -5.832 -2.453 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.721 -7.132 -3.648 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.261 -7.101 -2.632 1.00 0.00 H new ATOM 91 N LEU A 7 -5.991 -5.058 -3.708 1.00 0.00 N ATOM 92 CA LEU A 7 -4.917 -4.241 -3.168 1.00 0.00 C ATOM 93 C LEU A 7 -4.583 -3.125 -4.160 1.00 0.00 C ATOM 94 O LEU A 7 -4.788 -1.947 -3.866 1.00 0.00 O ATOM 95 CB LEU A 7 -3.716 -5.113 -2.797 1.00 0.00 C ATOM 96 CG LEU A 7 -3.439 -5.271 -1.301 1.00 0.00 C ATOM 97 CD1 LEU A 7 -3.345 -3.908 -0.613 1.00 0.00 C ATOM 98 CD2 LEU A 7 -4.484 -6.175 -0.643 1.00 0.00 C ATOM 0 H LEU A 7 -5.686 -5.920 -4.160 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.232 -3.761 -2.241 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.866 -6.104 -3.225 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.828 -4.693 -3.268 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.471 -5.758 -1.182 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.148 -4.050 0.450 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.535 -3.331 -1.059 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.285 -3.371 -0.739 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.264 -6.271 0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.475 -5.739 -0.771 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.458 -7.160 -1.109 1.00 0.00 H new ATOM 110 N GLU A 8 -4.075 -3.533 -5.313 1.00 0.00 N ATOM 111 CA GLU A 8 -3.711 -2.582 -6.349 1.00 0.00 C ATOM 112 C GLU A 8 -4.707 -1.421 -6.377 1.00 0.00 C ATOM 113 O GLU A 8 -4.336 -0.286 -6.675 1.00 0.00 O ATOM 114 CB GLU A 8 -3.627 -3.265 -7.716 1.00 0.00 C ATOM 115 CG GLU A 8 -2.672 -2.513 -8.646 1.00 0.00 C ATOM 116 CD GLU A 8 -3.420 -1.936 -9.849 1.00 0.00 C ATOM 117 OE1 GLU A 8 -4.452 -2.537 -10.218 1.00 0.00 O ATOM 118 OE2 GLU A 8 -2.942 -0.906 -10.373 1.00 0.00 O ATOM 0 H GLU A 8 -3.907 -4.510 -5.553 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.723 -2.183 -6.118 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.286 -4.293 -7.593 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.619 -3.310 -8.166 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.183 -1.708 -8.097 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.888 -3.187 -8.990 1.00 0.00 H new ATOM 125 N GLU A 9 -5.952 -1.744 -6.063 1.00 0.00 N ATOM 126 CA GLU A 9 -7.005 -0.742 -6.048 1.00 0.00 C ATOM 127 C GLU A 9 -6.601 0.440 -5.163 1.00 0.00 C ATOM 128 O GLU A 9 -6.531 1.574 -5.631 1.00 0.00 O ATOM 129 CB GLU A 9 -8.331 -1.346 -5.583 1.00 0.00 C ATOM 130 CG GLU A 9 -9.445 -1.069 -6.595 1.00 0.00 C ATOM 131 CD GLU A 9 -10.338 0.082 -6.125 1.00 0.00 C ATOM 132 OE1 GLU A 9 -10.898 -0.051 -5.016 1.00 0.00 O ATOM 133 OE2 GLU A 9 -10.440 1.068 -6.886 1.00 0.00 O ATOM 0 H GLU A 9 -6.256 -2.686 -5.817 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.147 -0.378 -7.066 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.217 -2.422 -5.448 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.604 -0.930 -4.613 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.009 -0.824 -7.563 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -10.046 -1.967 -6.734 1.00 0.00 H new ATOM 140 N LYS A 10 -6.346 0.132 -3.900 1.00 0.00 N ATOM 141 CA LYS A 10 -5.951 1.154 -2.945 1.00 0.00 C ATOM 142 C LYS A 10 -4.536 1.633 -3.276 1.00 0.00 C ATOM 143 O LYS A 10 -4.310 2.827 -3.464 1.00 0.00 O ATOM 144 CB LYS A 10 -6.108 0.638 -1.514 1.00 0.00 C ATOM 145 CG LYS A 10 -6.475 1.776 -0.558 1.00 0.00 C ATOM 146 CD LYS A 10 -7.863 2.335 -0.881 1.00 0.00 C ATOM 147 CE LYS A 10 -7.798 3.839 -1.156 1.00 0.00 C ATOM 148 NZ LYS A 10 -8.911 4.252 -2.039 1.00 0.00 N ATOM 0 H LYS A 10 -6.405 -0.811 -3.515 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.607 2.021 -3.019 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.880 -0.131 -1.483 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.179 0.170 -1.188 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.455 1.414 0.470 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.733 2.571 -0.630 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.273 1.820 -1.750 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.539 2.143 -0.048 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.848 4.389 -0.216 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.845 4.089 -1.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.852 5.275 -2.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.846 3.740 -2.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.818 4.031 -1.581 1.00 0.00 H new ATOM 162 N VAL A 11 -3.621 0.677 -3.334 1.00 0.00 N ATOM 163 CA VAL A 11 -2.233 0.987 -3.638 1.00 0.00 C ATOM 164 C VAL A 11 -2.179 1.961 -4.816 1.00 0.00 C ATOM 165 O VAL A 11 -1.497 2.982 -4.752 1.00 0.00 O ATOM 166 CB VAL A 11 -1.453 -0.304 -3.891 1.00 0.00 C ATOM 167 CG1 VAL A 11 0.011 -0.004 -4.222 1.00 0.00 C ATOM 168 CG2 VAL A 11 -1.561 -1.254 -2.698 1.00 0.00 C ATOM 0 H VAL A 11 -3.813 -0.312 -3.176 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.756 1.478 -2.790 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.898 -0.799 -4.754 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.543 -0.939 -4.397 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.062 0.616 -5.117 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.472 0.525 -3.388 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.997 -2.164 -2.905 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.155 -0.770 -1.810 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.608 -1.507 -2.528 1.00 0.00 H new ATOM 178 N LYS A 12 -2.907 1.610 -5.866 1.00 0.00 N ATOM 179 CA LYS A 12 -2.950 2.440 -7.058 1.00 0.00 C ATOM 180 C LYS A 12 -3.321 3.871 -6.664 1.00 0.00 C ATOM 181 O LYS A 12 -2.649 4.822 -7.062 1.00 0.00 O ATOM 182 CB LYS A 12 -3.886 1.829 -8.104 1.00 0.00 C ATOM 183 CG LYS A 12 -4.099 2.788 -9.276 1.00 0.00 C ATOM 184 CD LYS A 12 -3.444 2.250 -10.551 1.00 0.00 C ATOM 185 CE LYS A 12 -3.991 2.962 -11.790 1.00 0.00 C ATOM 186 NZ LYS A 12 -4.219 1.993 -12.885 1.00 0.00 N ATOM 0 H LYS A 12 -3.472 0.762 -5.916 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.968 2.482 -7.528 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.467 0.891 -8.469 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.846 1.592 -7.644 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.166 2.931 -9.444 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.681 3.765 -9.032 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.364 2.387 -10.495 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.625 1.178 -10.633 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.925 3.468 -11.544 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.289 3.729 -12.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.590 2.492 -13.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.321 1.529 -13.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.906 1.276 -12.576 1.00 0.00 H new ATOM 200 N ALA A 13 -4.389 3.980 -5.887 1.00 0.00 N ATOM 201 CA ALA A 13 -4.856 5.279 -5.435 1.00 0.00 C ATOM 202 C ALA A 13 -3.750 5.962 -4.627 1.00 0.00 C ATOM 203 O ALA A 13 -3.506 7.157 -4.787 1.00 0.00 O ATOM 204 CB ALA A 13 -6.145 5.107 -4.629 1.00 0.00 C ATOM 0 H ALA A 13 -4.944 3.190 -5.559 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.087 5.920 -6.286 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.495 6.082 -4.290 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.908 4.646 -5.256 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.952 4.471 -3.765 1.00 0.00 H new ATOM 210 N LEU A 14 -3.110 5.172 -3.777 1.00 0.00 N ATOM 211 CA LEU A 14 -2.037 5.686 -2.943 1.00 0.00 C ATOM 212 C LEU A 14 -0.992 6.370 -3.827 1.00 0.00 C ATOM 213 O LEU A 14 -0.558 7.482 -3.534 1.00 0.00 O ATOM 214 CB LEU A 14 -1.462 4.573 -2.063 1.00 0.00 C ATOM 215 CG LEU A 14 -2.412 3.991 -1.014 1.00 0.00 C ATOM 216 CD1 LEU A 14 -1.633 3.292 0.103 1.00 0.00 C ATOM 217 CD2 LEU A 14 -3.354 5.067 -0.469 1.00 0.00 C ATOM 0 H LEU A 14 -3.314 4.181 -3.648 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.418 6.441 -2.256 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.126 3.763 -2.710 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.580 4.960 -1.552 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.032 3.235 -1.497 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.331 2.887 0.835 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.040 2.481 -0.320 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.972 4.009 0.590 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.018 4.626 0.274 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.769 5.863 -0.007 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.946 5.480 -1.286 1.00 0.00 H new ATOM 229 N GLU A 15 -0.620 5.676 -4.893 1.00 0.00 N ATOM 230 CA GLU A 15 0.366 6.203 -5.822 1.00 0.00 C ATOM 231 C GLU A 15 -0.012 7.623 -6.247 1.00 0.00 C ATOM 232 O GLU A 15 0.836 8.513 -6.271 1.00 0.00 O ATOM 233 CB GLU A 15 0.515 5.288 -7.039 1.00 0.00 C ATOM 234 CG GLU A 15 1.668 5.748 -7.932 1.00 0.00 C ATOM 235 CD GLU A 15 1.149 6.261 -9.278 1.00 0.00 C ATOM 236 OE1 GLU A 15 0.921 5.407 -10.161 1.00 0.00 O ATOM 237 OE2 GLU A 15 0.993 7.496 -9.391 1.00 0.00 O ATOM 0 H GLU A 15 -0.983 4.754 -5.134 1.00 0.00 H new ATOM 0 HA GLU A 15 1.331 6.241 -5.316 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.692 4.264 -6.709 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.413 5.283 -7.611 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.229 6.536 -7.430 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.358 4.920 -8.096 1.00 0.00 H new ATOM 244 N GLU A 16 -1.286 7.791 -6.571 1.00 0.00 N ATOM 245 CA GLU A 16 -1.786 9.089 -6.992 1.00 0.00 C ATOM 246 C GLU A 16 -1.901 10.029 -5.791 1.00 0.00 C ATOM 247 O GLU A 16 -1.303 11.105 -5.781 1.00 0.00 O ATOM 248 CB GLU A 16 -3.129 8.951 -7.712 1.00 0.00 C ATOM 249 CG GLU A 16 -3.349 10.107 -8.689 1.00 0.00 C ATOM 250 CD GLU A 16 -4.707 9.987 -9.384 1.00 0.00 C ATOM 251 OE1 GLU A 16 -4.837 9.067 -10.221 1.00 0.00 O ATOM 252 OE2 GLU A 16 -5.584 10.818 -9.063 1.00 0.00 O ATOM 0 H GLU A 16 -1.987 7.050 -6.550 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.075 9.519 -7.697 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.161 8.004 -8.251 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.937 8.929 -6.981 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.293 11.055 -8.154 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.554 10.114 -9.435 1.00 0.00 H new ATOM 259 N LYS A 17 -2.674 9.591 -4.809 1.00 0.00 N ATOM 260 CA LYS A 17 -2.875 10.380 -3.605 1.00 0.00 C ATOM 261 C LYS A 17 -1.515 10.804 -3.045 1.00 0.00 C ATOM 262 O LYS A 17 -1.229 11.996 -2.937 1.00 0.00 O ATOM 263 CB LYS A 17 -3.742 9.617 -2.602 1.00 0.00 C ATOM 264 CG LYS A 17 -4.872 10.500 -2.070 1.00 0.00 C ATOM 265 CD LYS A 17 -6.081 9.657 -1.660 1.00 0.00 C ATOM 266 CE LYS A 17 -6.701 10.182 -0.363 1.00 0.00 C ATOM 267 NZ LYS A 17 -7.755 11.178 -0.660 1.00 0.00 N ATOM 0 H LYS A 17 -3.169 8.699 -4.822 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.424 11.293 -3.836 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.162 8.731 -3.079 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.125 9.271 -1.773 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.517 11.074 -1.214 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.168 11.218 -2.835 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.826 9.672 -2.456 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.777 8.619 -1.528 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.124 9.354 0.206 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.929 10.635 0.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.166 11.525 0.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.341 11.975 -1.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.499 10.735 -1.235 1.00 0.00 H new ATOM 281 N VAL A 18 -0.713 9.806 -2.706 1.00 0.00 N ATOM 282 CA VAL A 18 0.608 10.060 -2.160 1.00 0.00 C ATOM 283 C VAL A 18 1.291 11.158 -2.978 1.00 0.00 C ATOM 284 O VAL A 18 2.026 11.979 -2.431 1.00 0.00 O ATOM 285 CB VAL A 18 1.415 8.761 -2.114 1.00 0.00 C ATOM 286 CG1 VAL A 18 2.870 9.031 -1.724 1.00 0.00 C ATOM 287 CG2 VAL A 18 0.772 7.750 -1.162 1.00 0.00 C ATOM 0 H VAL A 18 -0.953 8.819 -2.799 1.00 0.00 H new ATOM 0 HA VAL A 18 0.533 10.417 -1.133 1.00 0.00 H new ATOM 0 HB VAL A 18 1.411 8.330 -3.115 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.420 8.091 -1.699 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.325 9.698 -2.456 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.902 9.497 -0.739 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.365 6.836 -1.148 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.731 8.171 -0.158 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.238 7.522 -1.502 1.00 0.00 H new ATOM 297 N LYS A 19 1.022 11.138 -4.276 1.00 0.00 N ATOM 298 CA LYS A 19 1.601 12.122 -5.175 1.00 0.00 C ATOM 299 C LYS A 19 0.834 13.439 -5.045 1.00 0.00 C ATOM 300 O LYS A 19 1.434 14.513 -5.033 1.00 0.00 O ATOM 301 CB LYS A 19 1.651 11.578 -6.604 1.00 0.00 C ATOM 302 CG LYS A 19 2.402 12.536 -7.530 1.00 0.00 C ATOM 303 CD LYS A 19 2.105 12.225 -8.999 1.00 0.00 C ATOM 304 CE LYS A 19 1.131 13.247 -9.589 1.00 0.00 C ATOM 305 NZ LYS A 19 0.186 12.586 -10.517 1.00 0.00 N ATOM 0 H LYS A 19 0.411 10.456 -4.726 1.00 0.00 H new ATOM 0 HA LYS A 19 2.636 12.327 -4.900 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.140 10.604 -6.609 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.637 11.428 -6.975 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.114 13.563 -7.307 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.474 12.458 -7.348 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.033 12.230 -9.570 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.683 11.224 -9.084 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.579 13.738 -8.787 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.685 14.024 -10.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.468 13.293 -10.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.716 12.138 -11.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.355 11.861 -10.004 1.00 0.00 H new ATOM 319 N ALA A 20 -0.482 13.314 -4.950 1.00 0.00 N ATOM 320 CA ALA A 20 -1.337 14.481 -4.821 1.00 0.00 C ATOM 321 C ALA A 20 -0.891 15.306 -3.612 1.00 0.00 C ATOM 322 O ALA A 20 -1.067 16.522 -3.586 1.00 0.00 O ATOM 323 CB ALA A 20 -2.797 14.035 -4.715 1.00 0.00 C ATOM 0 H ALA A 20 -0.977 12.422 -4.960 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.252 15.117 -5.702 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.439 14.911 -4.618 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.074 13.480 -5.611 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.920 13.397 -3.840 1.00 0.00 H new ATOM 329 N LEU A 21 -0.321 14.609 -2.639 1.00 0.00 N ATOM 330 CA LEU A 21 0.153 15.260 -1.431 1.00 0.00 C ATOM 331 C LEU A 21 1.254 16.258 -1.793 1.00 0.00 C ATOM 332 O LEU A 21 2.167 15.933 -2.549 1.00 0.00 O ATOM 333 CB LEU A 21 0.583 14.220 -0.394 1.00 0.00 C ATOM 334 CG LEU A 21 -0.237 12.928 -0.360 1.00 0.00 C ATOM 335 CD1 LEU A 21 0.089 12.104 0.887 1.00 0.00 C ATOM 336 CD2 LEU A 21 -1.734 13.227 -0.474 1.00 0.00 C ATOM 0 H LEU A 21 -0.177 13.599 -2.664 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.652 15.828 -0.964 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.625 13.961 -0.579 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.540 14.681 0.593 1.00 0.00 H new ATOM 0 HG LEU A 21 0.039 12.325 -1.225 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.507 11.192 0.886 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.148 11.846 0.886 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.141 12.687 1.779 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.295 12.293 -0.447 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.043 13.860 0.358 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.932 13.742 -1.414 1.00 0.00 H new ATOM 348 N GLY A 22 1.131 17.455 -1.235 1.00 0.00 N ATOM 349 CA GLY A 22 2.105 18.503 -1.489 1.00 0.00 C ATOM 350 C GLY A 22 3.533 17.966 -1.364 1.00 0.00 C ATOM 351 O GLY A 22 4.459 18.511 -1.964 1.00 0.00 O ATOM 0 H GLY A 22 0.372 17.721 -0.608 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.952 18.912 -2.488 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.957 19.321 -0.784 1.00 0.00 H new ATOM 355 N GLY A 23 3.667 16.907 -0.580 1.00 0.00 N ATOM 356 CA GLY A 23 4.965 16.292 -0.368 1.00 0.00 C ATOM 357 C GLY A 23 5.991 17.324 0.106 1.00 0.00 C ATOM 358 O GLY A 23 5.719 18.524 0.094 1.00 0.00 O ATOM 0 H GLY A 23 2.897 16.459 -0.083 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.877 15.495 0.371 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.309 15.831 -1.294 1.00 0.00 H new ATOM 362 N GLY A 24 7.145 16.820 0.515 1.00 0.00 N ATOM 363 CA GLY A 24 8.211 17.683 0.993 1.00 0.00 C ATOM 364 C GLY A 24 8.735 17.208 2.350 1.00 0.00 C ATOM 365 O GLY A 24 8.826 17.993 3.294 1.00 0.00 O ATOM 0 H GLY A 24 7.366 15.824 0.525 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.026 17.696 0.269 1.00 0.00 H new ATOM 0 HA3 GLY A 24 7.845 18.706 1.079 1.00 0.00 H new ATOM 369 N GLY A 25 9.064 15.927 2.406 1.00 0.00 N ATOM 370 CA GLY A 25 9.576 15.337 3.632 1.00 0.00 C ATOM 371 C GLY A 25 8.454 14.665 4.426 1.00 0.00 C ATOM 372 O GLY A 25 8.675 14.190 5.539 1.00 0.00 O ATOM 0 H GLY A 25 8.986 15.280 1.622 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.347 14.604 3.393 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.047 16.108 4.242 1.00 0.00 H new ATOM 376 N ARG A 26 7.276 14.644 3.823 1.00 0.00 N ATOM 377 CA ARG A 26 6.120 14.037 4.459 1.00 0.00 C ATOM 378 C ARG A 26 5.841 12.659 3.853 1.00 0.00 C ATOM 379 O ARG A 26 6.167 11.636 4.453 1.00 0.00 O ATOM 380 CB ARG A 26 4.877 14.916 4.301 1.00 0.00 C ATOM 381 CG ARG A 26 4.853 16.027 5.353 1.00 0.00 C ATOM 382 CD ARG A 26 3.902 15.675 6.498 1.00 0.00 C ATOM 383 NE ARG A 26 4.090 16.622 7.620 1.00 0.00 N ATOM 384 CZ ARG A 26 5.075 16.530 8.525 1.00 0.00 C ATOM 385 NH1 ARG A 26 5.967 15.534 8.444 1.00 0.00 N ATOM 386 NH2 ARG A 26 5.168 17.434 9.509 1.00 0.00 N ATOM 0 H ARG A 26 7.097 15.038 2.899 1.00 0.00 H new ATOM 0 HA ARG A 26 6.345 13.933 5.520 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.862 15.355 3.303 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.980 14.304 4.393 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.858 16.184 5.745 1.00 0.00 H new ATOM 0 HG3 ARG A 26 4.541 16.964 4.891 1.00 0.00 H new ATOM 0 HD2 ARG A 26 2.870 15.712 6.149 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.088 14.656 6.836 1.00 0.00 H new ATOM 0 HE ARG A 26 3.429 17.393 7.710 1.00 0.00 H new ATOM 0 HH11 ARG A 26 5.897 14.846 7.694 1.00 0.00 H new ATOM 0 HH12 ARG A 26 6.717 15.463 9.132 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.489 18.193 9.570 1.00 0.00 H new ATOM 0 HH22 ARG A 26 5.918 17.363 10.197 1.00 0.00 H new ATOM 400 N ILE A 27 5.242 12.679 2.671 1.00 0.00 N ATOM 401 CA ILE A 27 4.917 11.444 1.978 1.00 0.00 C ATOM 402 C ILE A 27 6.139 10.524 1.981 1.00 0.00 C ATOM 403 O ILE A 27 6.006 9.310 2.122 1.00 0.00 O ATOM 404 CB ILE A 27 4.376 11.742 0.578 1.00 0.00 C ATOM 405 CG1 ILE A 27 5.320 12.672 -0.188 1.00 0.00 C ATOM 406 CG2 ILE A 27 2.953 12.301 0.647 1.00 0.00 C ATOM 407 CD1 ILE A 27 4.567 13.450 -1.268 1.00 0.00 C ATOM 0 H ILE A 27 4.974 13.530 2.176 1.00 0.00 H new ATOM 0 HA ILE A 27 4.119 10.915 2.498 1.00 0.00 H new ATOM 0 HB ILE A 27 4.327 10.804 0.024 1.00 0.00 H new ATOM 0 HG12 ILE A 27 5.791 13.369 0.505 1.00 0.00 H new ATOM 0 HG13 ILE A 27 6.119 12.088 -0.646 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.593 12.504 -0.361 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.299 11.573 1.126 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.953 13.225 1.225 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.261 14.103 -1.797 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.117 12.751 -1.973 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.785 14.051 -0.805 1.00 0.00 H new ATOM 419 N GLU A 28 7.303 11.139 1.825 1.00 0.00 N ATOM 420 CA GLU A 28 8.548 10.390 1.809 1.00 0.00 C ATOM 421 C GLU A 28 8.437 9.155 2.705 1.00 0.00 C ATOM 422 O GLU A 28 8.529 8.026 2.227 1.00 0.00 O ATOM 423 CB GLU A 28 9.723 11.273 2.233 1.00 0.00 C ATOM 424 CG GLU A 28 11.053 10.539 2.052 1.00 0.00 C ATOM 425 CD GLU A 28 12.083 11.008 3.081 1.00 0.00 C ATOM 426 OE1 GLU A 28 12.045 10.468 4.208 1.00 0.00 O ATOM 427 OE2 GLU A 28 12.886 11.895 2.718 1.00 0.00 O ATOM 0 H GLU A 28 7.410 12.147 1.709 1.00 0.00 H new ATOM 0 HA GLU A 28 8.736 10.057 0.788 1.00 0.00 H new ATOM 0 HB2 GLU A 28 9.726 12.189 1.642 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.604 11.566 3.276 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.896 9.465 2.153 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.434 10.713 1.046 1.00 0.00 H new ATOM 434 N GLU A 29 8.241 9.413 3.990 1.00 0.00 N ATOM 435 CA GLU A 29 8.117 8.337 4.959 1.00 0.00 C ATOM 436 C GLU A 29 7.202 7.237 4.415 1.00 0.00 C ATOM 437 O GLU A 29 7.673 6.168 4.027 1.00 0.00 O ATOM 438 CB GLU A 29 7.606 8.863 6.301 1.00 0.00 C ATOM 439 CG GLU A 29 8.107 7.996 7.458 1.00 0.00 C ATOM 440 CD GLU A 29 6.940 7.343 8.200 1.00 0.00 C ATOM 441 OE1 GLU A 29 5.976 8.080 8.502 1.00 0.00 O ATOM 442 OE2 GLU A 29 7.037 6.122 8.449 1.00 0.00 O ATOM 0 H GLU A 29 8.165 10.351 4.383 1.00 0.00 H new ATOM 0 HA GLU A 29 9.106 7.910 5.128 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.938 9.891 6.443 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.516 8.878 6.298 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.776 7.225 7.076 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.686 8.607 8.150 1.00 0.00 H new ATOM 449 N LEU A 30 5.912 7.537 4.406 1.00 0.00 N ATOM 450 CA LEU A 30 4.927 6.587 3.917 1.00 0.00 C ATOM 451 C LEU A 30 5.359 6.072 2.543 1.00 0.00 C ATOM 452 O LEU A 30 5.205 4.890 2.242 1.00 0.00 O ATOM 453 CB LEU A 30 3.529 7.210 3.929 1.00 0.00 C ATOM 454 CG LEU A 30 3.328 8.422 3.017 1.00 0.00 C ATOM 455 CD1 LEU A 30 3.338 8.009 1.544 1.00 0.00 C ATOM 456 CD2 LEU A 30 2.054 9.183 3.390 1.00 0.00 C ATOM 0 H LEU A 30 5.526 8.424 4.729 1.00 0.00 H new ATOM 0 HA LEU A 30 4.871 5.722 4.578 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.808 6.443 3.645 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.293 7.506 4.951 1.00 0.00 H new ATOM 0 HG LEU A 30 4.166 9.103 3.165 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.193 8.890 0.918 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.295 7.546 1.303 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.533 7.297 1.360 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.935 10.040 2.727 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.193 8.523 3.288 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.126 9.530 4.421 1.00 0.00 H new ATOM 468 N LYS A 31 5.891 6.987 1.745 1.00 0.00 N ATOM 469 CA LYS A 31 6.348 6.640 0.409 1.00 0.00 C ATOM 470 C LYS A 31 7.437 5.571 0.508 1.00 0.00 C ATOM 471 O LYS A 31 7.595 4.755 -0.398 1.00 0.00 O ATOM 472 CB LYS A 31 6.784 7.895 -0.350 1.00 0.00 C ATOM 473 CG LYS A 31 5.668 8.395 -1.270 1.00 0.00 C ATOM 474 CD LYS A 31 6.149 8.479 -2.720 1.00 0.00 C ATOM 475 CE LYS A 31 6.324 7.084 -3.321 1.00 0.00 C ATOM 476 NZ LYS A 31 6.813 7.177 -4.714 1.00 0.00 N ATOM 0 H LYS A 31 6.016 7.967 1.998 1.00 0.00 H new ATOM 0 HA LYS A 31 5.533 6.210 -0.173 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.054 8.678 0.359 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.675 7.677 -0.939 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.811 7.724 -1.206 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.330 9.377 -0.938 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.432 9.047 -3.313 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.095 9.018 -2.762 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.028 6.508 -2.720 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.374 6.550 -3.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.926 6.221 -5.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.127 7.708 -5.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.730 7.668 -4.728 1.00 0.00 H new ATOM 490 N LYS A 32 8.162 5.611 1.617 1.00 0.00 N ATOM 491 CA LYS A 32 9.233 4.656 1.846 1.00 0.00 C ATOM 492 C LYS A 32 8.636 3.256 1.998 1.00 0.00 C ATOM 493 O LYS A 32 9.056 2.321 1.318 1.00 0.00 O ATOM 494 CB LYS A 32 10.093 5.091 3.033 1.00 0.00 C ATOM 495 CG LYS A 32 10.568 6.536 2.866 1.00 0.00 C ATOM 496 CD LYS A 32 12.075 6.650 3.110 1.00 0.00 C ATOM 497 CE LYS A 32 12.819 6.962 1.811 1.00 0.00 C ATOM 498 NZ LYS A 32 14.120 7.605 2.100 1.00 0.00 N ATOM 0 H LYS A 32 8.028 6.290 2.366 1.00 0.00 H new ATOM 0 HA LYS A 32 9.907 4.625 0.990 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.520 4.997 3.955 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.955 4.430 3.124 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.331 6.887 1.861 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.033 7.181 3.563 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.270 7.434 3.842 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.450 5.718 3.533 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.978 6.043 1.247 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.213 7.619 1.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 14.612 7.810 1.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 13.961 8.492 2.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 14.703 6.966 2.677 1.00 0.00 H new ATOM 512 N LYS A 33 7.667 3.154 2.896 1.00 0.00 N ATOM 513 CA LYS A 33 7.009 1.883 3.147 1.00 0.00 C ATOM 514 C LYS A 33 6.163 1.503 1.930 1.00 0.00 C ATOM 515 O LYS A 33 6.050 0.326 1.592 1.00 0.00 O ATOM 516 CB LYS A 33 6.216 1.939 4.454 1.00 0.00 C ATOM 517 CG LYS A 33 7.146 2.152 5.651 1.00 0.00 C ATOM 518 CD LYS A 33 6.833 1.158 6.771 1.00 0.00 C ATOM 519 CE LYS A 33 7.731 1.400 7.986 1.00 0.00 C ATOM 520 NZ LYS A 33 8.828 0.409 8.027 1.00 0.00 N ATOM 0 H LYS A 33 7.322 3.931 3.459 1.00 0.00 H new ATOM 0 HA LYS A 33 7.747 1.092 3.283 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.487 2.748 4.407 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.656 1.013 4.584 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.183 2.036 5.336 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.038 3.171 6.023 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.787 1.251 7.063 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.973 0.140 6.408 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.145 2.407 7.944 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.141 1.335 8.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.427 0.589 8.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.428 -0.549 8.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.401 0.490 7.163 1.00 0.00 H new ATOM 534 N TRP A 34 5.591 2.522 1.306 1.00 0.00 N ATOM 535 CA TRP A 34 4.758 2.310 0.134 1.00 0.00 C ATOM 536 C TRP A 34 5.592 1.563 -0.909 1.00 0.00 C ATOM 537 O TRP A 34 5.045 0.868 -1.764 1.00 0.00 O ATOM 538 CB TRP A 34 4.195 3.633 -0.386 1.00 0.00 C ATOM 539 CG TRP A 34 4.134 3.727 -1.912 1.00 0.00 C ATOM 540 CD1 TRP A 34 5.083 4.161 -2.750 1.00 0.00 C ATOM 541 CD2 TRP A 34 3.019 3.359 -2.751 1.00 0.00 C ATOM 542 NE1 TRP A 34 4.666 4.099 -4.064 1.00 0.00 N ATOM 543 CE2 TRP A 34 3.370 3.596 -4.065 1.00 0.00 C ATOM 544 CE3 TRP A 34 1.756 2.842 -2.412 1.00 0.00 C ATOM 545 CZ2 TRP A 34 2.514 3.346 -5.145 1.00 0.00 C ATOM 546 CZ3 TRP A 34 0.912 2.598 -3.502 1.00 0.00 C ATOM 547 CH2 TRP A 34 1.250 2.832 -4.831 1.00 0.00 C ATOM 0 H TRP A 34 5.688 3.497 1.590 1.00 0.00 H new ATOM 0 HA TRP A 34 3.888 1.703 0.384 1.00 0.00 H new ATOM 0 HB2 TRP A 34 3.192 3.772 0.017 1.00 0.00 H new ATOM 0 HB3 TRP A 34 4.807 4.451 -0.006 1.00 0.00 H new ATOM 0 HD1 TRP A 34 6.054 4.515 -2.437 1.00 0.00 H new ATOM 0 HE1 TRP A 34 5.209 4.372 -4.883 1.00 0.00 H new ATOM 0 HE3 TRP A 34 1.460 2.648 -1.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 2.813 3.539 -6.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -0.071 2.200 -3.297 1.00 0.00 H new ATOM 0 HH2 TRP A 34 0.541 2.618 -5.617 1.00 0.00 H new ATOM 558 N GLU A 35 6.902 1.734 -0.805 1.00 0.00 N ATOM 559 CA GLU A 35 7.817 1.086 -1.729 1.00 0.00 C ATOM 560 C GLU A 35 8.025 -0.378 -1.331 1.00 0.00 C ATOM 561 O GLU A 35 8.125 -1.250 -2.192 1.00 0.00 O ATOM 562 CB GLU A 35 9.151 1.831 -1.794 1.00 0.00 C ATOM 563 CG GLU A 35 9.400 2.389 -3.197 1.00 0.00 C ATOM 564 CD GLU A 35 10.005 3.793 -3.129 1.00 0.00 C ATOM 565 OE1 GLU A 35 9.397 4.641 -2.441 1.00 0.00 O ATOM 566 OE2 GLU A 35 11.062 3.986 -3.766 1.00 0.00 O ATOM 0 H GLU A 35 7.351 2.312 -0.095 1.00 0.00 H new ATOM 0 HA GLU A 35 7.375 1.113 -2.725 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.152 2.645 -1.069 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.962 1.157 -1.518 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.072 1.726 -3.742 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.462 2.420 -3.752 1.00 0.00 H new ATOM 573 N GLU A 36 8.085 -0.600 -0.026 1.00 0.00 N ATOM 574 CA GLU A 36 8.278 -1.942 0.495 1.00 0.00 C ATOM 575 C GLU A 36 6.947 -2.695 0.534 1.00 0.00 C ATOM 576 O GLU A 36 6.925 -3.924 0.515 1.00 0.00 O ATOM 577 CB GLU A 36 8.926 -1.902 1.882 1.00 0.00 C ATOM 578 CG GLU A 36 9.833 -0.678 2.028 1.00 0.00 C ATOM 579 CD GLU A 36 11.112 -1.033 2.790 1.00 0.00 C ATOM 580 OE1 GLU A 36 10.997 -1.808 3.762 1.00 0.00 O ATOM 581 OE2 GLU A 36 12.177 -0.519 2.381 1.00 0.00 O ATOM 0 H GLU A 36 8.003 0.127 0.685 1.00 0.00 H new ATOM 0 HA GLU A 36 8.954 -2.476 -0.173 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.152 -1.879 2.649 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.506 -2.811 2.043 1.00 0.00 H new ATOM 0 HG2 GLU A 36 10.088 -0.290 1.042 1.00 0.00 H new ATOM 0 HG3 GLU A 36 9.300 0.114 2.554 1.00 0.00 H new ATOM 588 N LEU A 37 5.870 -1.925 0.587 1.00 0.00 N ATOM 589 CA LEU A 37 4.538 -2.503 0.628 1.00 0.00 C ATOM 590 C LEU A 37 4.177 -3.040 -0.759 1.00 0.00 C ATOM 591 O LEU A 37 3.885 -4.225 -0.913 1.00 0.00 O ATOM 592 CB LEU A 37 3.531 -1.491 1.178 1.00 0.00 C ATOM 593 CG LEU A 37 2.338 -1.175 0.275 1.00 0.00 C ATOM 594 CD1 LEU A 37 1.567 -2.447 -0.082 1.00 0.00 C ATOM 595 CD2 LEU A 37 1.433 -0.117 0.912 1.00 0.00 C ATOM 0 H LEU A 37 5.893 -0.905 0.602 1.00 0.00 H new ATOM 0 HA LEU A 37 4.511 -3.349 1.315 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.152 -1.865 2.129 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.059 -0.561 1.389 1.00 0.00 H new ATOM 0 HG LEU A 37 2.718 -0.756 -0.657 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.724 -2.193 -0.725 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.228 -3.138 -0.606 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.199 -2.918 0.830 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.592 0.089 0.249 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.060 -0.485 1.868 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.002 0.799 1.073 1.00 0.00 H new ATOM 607 N LYS A 38 4.207 -2.141 -1.732 1.00 0.00 N ATOM 608 CA LYS A 38 3.886 -2.509 -3.100 1.00 0.00 C ATOM 609 C LYS A 38 4.724 -3.722 -3.508 1.00 0.00 C ATOM 610 O LYS A 38 4.284 -4.543 -4.312 1.00 0.00 O ATOM 611 CB LYS A 38 4.053 -1.305 -4.031 1.00 0.00 C ATOM 612 CG LYS A 38 3.906 -1.722 -5.496 1.00 0.00 C ATOM 613 CD LYS A 38 4.928 -0.999 -6.377 1.00 0.00 C ATOM 614 CE LYS A 38 4.618 0.498 -6.459 1.00 0.00 C ATOM 615 NZ LYS A 38 3.675 0.771 -7.565 1.00 0.00 N ATOM 0 H LYS A 38 4.449 -1.159 -1.600 1.00 0.00 H new ATOM 0 HA LYS A 38 2.839 -2.803 -3.180 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.309 -0.547 -3.788 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.032 -0.852 -3.874 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.041 -2.800 -5.586 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.897 -1.497 -5.843 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.930 -1.145 -5.973 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.921 -1.431 -7.378 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.191 0.839 -5.516 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.540 1.059 -6.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.475 1.791 -7.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.097 0.463 -8.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.789 0.251 -7.402 1.00 0.00 H new ATOM 629 N LYS A 39 5.915 -3.798 -2.933 1.00 0.00 N ATOM 630 CA LYS A 39 6.818 -4.898 -3.227 1.00 0.00 C ATOM 631 C LYS A 39 6.276 -6.180 -2.591 1.00 0.00 C ATOM 632 O LYS A 39 6.522 -7.277 -3.091 1.00 0.00 O ATOM 633 CB LYS A 39 8.244 -4.551 -2.793 1.00 0.00 C ATOM 634 CG LYS A 39 9.272 -5.342 -3.605 1.00 0.00 C ATOM 635 CD LYS A 39 9.749 -4.538 -4.816 1.00 0.00 C ATOM 636 CE LYS A 39 10.987 -5.181 -5.446 1.00 0.00 C ATOM 637 NZ LYS A 39 11.003 -4.950 -6.909 1.00 0.00 N ATOM 0 H LYS A 39 6.276 -3.116 -2.265 1.00 0.00 H new ATOM 0 HA LYS A 39 6.870 -5.072 -4.302 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.417 -3.483 -2.922 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.368 -4.768 -1.732 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.124 -5.595 -2.973 1.00 0.00 H new ATOM 0 HG3 LYS A 39 8.832 -6.282 -3.938 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.950 -4.478 -5.555 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.980 -3.517 -4.512 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.889 -4.765 -4.996 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.993 -6.251 -5.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.849 -5.393 -7.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.151 -5.367 -7.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.020 -3.928 -7.099 1.00 0.00 H new ATOM 651 N LYS A 40 5.552 -6.000 -1.496 1.00 0.00 N ATOM 652 CA LYS A 40 4.974 -7.128 -0.787 1.00 0.00 C ATOM 653 C LYS A 40 3.741 -7.625 -1.546 1.00 0.00 C ATOM 654 O LYS A 40 3.568 -8.828 -1.735 1.00 0.00 O ATOM 655 CB LYS A 40 4.692 -6.757 0.670 1.00 0.00 C ATOM 656 CG LYS A 40 5.558 -7.581 1.624 1.00 0.00 C ATOM 657 CD LYS A 40 6.152 -6.700 2.726 1.00 0.00 C ATOM 658 CE LYS A 40 7.494 -6.110 2.291 1.00 0.00 C ATOM 659 NZ LYS A 40 8.614 -6.874 2.886 1.00 0.00 N ATOM 0 H LYS A 40 5.353 -5.089 -1.083 1.00 0.00 H new ATOM 0 HA LYS A 40 5.681 -7.957 -0.749 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.886 -5.695 0.823 1.00 0.00 H new ATOM 0 HB3 LYS A 40 3.638 -6.924 0.894 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.959 -8.374 2.071 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.361 -8.063 1.067 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.458 -5.895 2.967 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.286 -7.288 3.634 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.571 -6.128 1.204 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.555 -5.066 2.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.518 -6.460 2.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.549 -6.835 3.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.564 -7.864 2.573 1.00 0.00 H new ATOM 673 N ILE A 41 2.917 -6.673 -1.959 1.00 0.00 N ATOM 674 CA ILE A 41 1.706 -6.999 -2.692 1.00 0.00 C ATOM 675 C ILE A 41 2.080 -7.703 -3.998 1.00 0.00 C ATOM 676 O ILE A 41 1.238 -8.346 -4.624 1.00 0.00 O ATOM 677 CB ILE A 41 0.848 -5.749 -2.891 1.00 0.00 C ATOM 678 CG1 ILE A 41 0.698 -4.972 -1.582 1.00 0.00 C ATOM 679 CG2 ILE A 41 -0.508 -6.106 -3.504 1.00 0.00 C ATOM 680 CD1 ILE A 41 -0.417 -3.929 -1.688 1.00 0.00 C ATOM 0 H ILE A 41 3.064 -5.676 -1.800 1.00 0.00 H new ATOM 0 HA ILE A 41 1.089 -7.693 -2.121 1.00 0.00 H new ATOM 0 HB ILE A 41 1.358 -5.094 -3.597 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.478 -5.663 -0.768 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.639 -4.480 -1.337 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.098 -5.199 -3.635 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.355 -6.583 -4.472 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.038 -6.791 -2.842 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.503 -3.391 -0.744 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.182 -3.225 -2.487 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.361 -4.427 -1.909 1.00 0.00 H new ATOM 692 N GLU A 42 3.343 -7.557 -4.372 1.00 0.00 N ATOM 693 CA GLU A 42 3.838 -8.172 -5.592 1.00 0.00 C ATOM 694 C GLU A 42 4.115 -9.659 -5.362 1.00 0.00 C ATOM 695 O GLU A 42 3.611 -10.508 -6.096 1.00 0.00 O ATOM 696 CB GLU A 42 5.089 -7.452 -6.099 1.00 0.00 C ATOM 697 CG GLU A 42 4.767 -6.587 -7.319 1.00 0.00 C ATOM 698 CD GLU A 42 5.041 -7.347 -8.619 1.00 0.00 C ATOM 699 OE1 GLU A 42 6.206 -7.299 -9.070 1.00 0.00 O ATOM 700 OE2 GLU A 42 4.079 -7.960 -9.131 1.00 0.00 O ATOM 0 H GLU A 42 4.038 -7.022 -3.852 1.00 0.00 H new ATOM 0 HA GLU A 42 3.070 -8.081 -6.360 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.501 -6.829 -5.305 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.854 -8.184 -6.359 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.721 -6.281 -7.286 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.367 -5.677 -7.292 1.00 0.00 H new ATOM 707 N GLU A 43 4.917 -9.928 -4.343 1.00 0.00 N ATOM 708 CA GLU A 43 5.268 -11.298 -4.009 1.00 0.00 C ATOM 709 C GLU A 43 4.088 -11.999 -3.333 1.00 0.00 C ATOM 710 O GLU A 43 4.129 -13.206 -3.098 1.00 0.00 O ATOM 711 CB GLU A 43 6.514 -11.344 -3.121 1.00 0.00 C ATOM 712 CG GLU A 43 7.684 -12.004 -3.852 1.00 0.00 C ATOM 713 CD GLU A 43 8.102 -13.303 -3.159 1.00 0.00 C ATOM 714 OE1 GLU A 43 8.933 -13.209 -2.230 1.00 0.00 O ATOM 715 OE2 GLU A 43 7.580 -14.360 -3.574 1.00 0.00 O ATOM 0 H GLU A 43 5.334 -9.221 -3.738 1.00 0.00 H new ATOM 0 HA GLU A 43 5.500 -11.828 -4.933 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.790 -10.332 -2.824 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.294 -11.896 -2.207 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.401 -12.213 -4.884 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.530 -11.317 -3.886 1.00 0.00 H new ATOM 722 N LEU A 44 3.062 -11.212 -3.041 1.00 0.00 N ATOM 723 CA LEU A 44 1.873 -11.742 -2.398 1.00 0.00 C ATOM 724 C LEU A 44 1.517 -13.091 -3.025 1.00 0.00 C ATOM 725 O LEU A 44 1.012 -13.144 -4.146 1.00 0.00 O ATOM 726 CB LEU A 44 0.735 -10.720 -2.449 1.00 0.00 C ATOM 727 CG LEU A 44 0.491 -9.921 -1.167 1.00 0.00 C ATOM 728 CD1 LEU A 44 -0.697 -8.971 -1.330 1.00 0.00 C ATOM 729 CD2 LEU A 44 0.320 -10.852 0.035 1.00 0.00 C ATOM 0 H LEU A 44 3.031 -10.212 -3.238 1.00 0.00 H new ATOM 0 HA LEU A 44 2.061 -11.922 -1.340 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.940 -10.018 -3.257 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.185 -11.244 -2.708 1.00 0.00 H new ATOM 0 HG LEU A 44 1.370 -9.306 -0.976 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.848 -8.416 -0.404 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.496 -8.273 -2.143 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.594 -9.546 -1.559 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.148 -10.259 0.933 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.532 -11.511 -0.133 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.222 -11.451 0.163 1.00 0.00 H new ATOM 741 N GLY A 45 1.792 -14.148 -2.276 1.00 0.00 N ATOM 742 CA GLY A 45 1.507 -15.493 -2.745 1.00 0.00 C ATOM 743 C GLY A 45 2.054 -16.541 -1.773 1.00 0.00 C ATOM 744 O GLY A 45 3.078 -16.318 -1.128 1.00 0.00 O ATOM 0 H GLY A 45 2.210 -14.100 -1.347 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.430 -15.622 -2.857 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.950 -15.640 -3.730 1.00 0.00 H new ATOM 748 N GLY A 46 1.348 -17.659 -1.698 1.00 0.00 N ATOM 749 CA GLY A 46 1.750 -18.741 -0.816 1.00 0.00 C ATOM 750 C GLY A 46 1.651 -18.317 0.650 1.00 0.00 C ATOM 751 O GLY A 46 0.753 -18.755 1.368 1.00 0.00 O ATOM 0 H GLY A 46 0.499 -17.839 -2.234 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.117 -19.611 -0.990 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.773 -19.040 -1.044 1.00 0.00 H new ATOM 755 N GLY A 47 2.588 -17.471 1.053 1.00 0.00 N ATOM 756 CA GLY A 47 2.618 -16.984 2.422 1.00 0.00 C ATOM 757 C GLY A 47 1.215 -16.615 2.903 1.00 0.00 C ATOM 758 O GLY A 47 0.843 -16.916 4.036 1.00 0.00 O ATOM 0 H GLY A 47 3.332 -17.110 0.456 1.00 0.00 H new ATOM 0 HA2 GLY A 47 3.041 -17.748 3.074 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.270 -16.113 2.488 1.00 0.00 H new ATOM 762 N GLY A 48 0.471 -15.966 2.018 1.00 0.00 N ATOM 763 CA GLY A 48 -0.884 -15.552 2.339 1.00 0.00 C ATOM 764 C GLY A 48 -0.908 -14.682 3.598 1.00 0.00 C ATOM 765 O GLY A 48 -1.918 -14.626 4.297 1.00 0.00 O ATOM 0 H GLY A 48 0.782 -15.717 1.079 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.307 -14.997 1.501 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.511 -16.431 2.488 1.00 0.00 H new ATOM 769 N GLU A 49 0.216 -14.026 3.847 1.00 0.00 N ATOM 770 CA GLU A 49 0.336 -13.162 5.009 1.00 0.00 C ATOM 771 C GLU A 49 -0.027 -11.723 4.640 1.00 0.00 C ATOM 772 O GLU A 49 0.546 -10.776 5.177 1.00 0.00 O ATOM 773 CB GLU A 49 1.743 -13.237 5.604 1.00 0.00 C ATOM 774 CG GLU A 49 1.830 -14.332 6.669 1.00 0.00 C ATOM 775 CD GLU A 49 1.320 -13.827 8.019 1.00 0.00 C ATOM 776 OE1 GLU A 49 1.893 -12.829 8.505 1.00 0.00 O ATOM 777 OE2 GLU A 49 0.367 -14.451 8.535 1.00 0.00 O ATOM 0 H GLU A 49 1.051 -14.075 3.264 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.364 -13.509 5.769 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.466 -13.436 4.813 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.008 -12.275 6.044 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.244 -15.196 6.355 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.863 -14.666 6.768 1.00 0.00 H new ATOM 784 N VAL A 50 -0.979 -11.602 3.725 1.00 0.00 N ATOM 785 CA VAL A 50 -1.426 -10.294 3.278 1.00 0.00 C ATOM 786 C VAL A 50 -1.675 -9.400 4.496 1.00 0.00 C ATOM 787 O VAL A 50 -1.462 -8.190 4.437 1.00 0.00 O ATOM 788 CB VAL A 50 -2.657 -10.439 2.382 1.00 0.00 C ATOM 789 CG1 VAL A 50 -3.067 -9.089 1.790 1.00 0.00 C ATOM 790 CG2 VAL A 50 -2.413 -11.470 1.278 1.00 0.00 C ATOM 0 H VAL A 50 -1.453 -12.389 3.281 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.656 -9.814 2.674 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.480 -10.798 3.000 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.945 -9.221 1.157 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.302 -8.394 2.596 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.247 -8.689 1.194 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.304 -11.554 0.655 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.570 -11.153 0.664 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.192 -12.438 1.727 1.00 0.00 H new ATOM 800 N LYS A 51 -2.122 -10.032 5.571 1.00 0.00 N ATOM 801 CA LYS A 51 -2.403 -9.311 6.800 1.00 0.00 C ATOM 802 C LYS A 51 -1.359 -8.209 6.990 1.00 0.00 C ATOM 803 O LYS A 51 -1.659 -7.152 7.542 1.00 0.00 O ATOM 804 CB LYS A 51 -2.495 -10.279 7.981 1.00 0.00 C ATOM 805 CG LYS A 51 -3.830 -11.028 7.973 1.00 0.00 C ATOM 806 CD LYS A 51 -3.740 -12.301 7.130 1.00 0.00 C ATOM 807 CE LYS A 51 -4.296 -13.504 7.892 1.00 0.00 C ATOM 808 NZ LYS A 51 -3.790 -14.767 7.308 1.00 0.00 N ATOM 0 H LYS A 51 -2.297 -11.036 5.616 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.376 -8.823 6.740 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.673 -10.993 7.935 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.388 -9.729 8.916 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.114 -11.283 8.994 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.612 -10.380 7.577 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.295 -12.166 6.201 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.701 -12.488 6.857 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.009 -13.441 8.942 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.385 -13.492 7.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.177 -15.574 7.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.085 -14.832 6.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.752 -14.783 7.363 1.00 0.00 H new ATOM 822 N LYS A 52 -0.153 -8.493 6.519 1.00 0.00 N ATOM 823 CA LYS A 52 0.937 -7.539 6.629 1.00 0.00 C ATOM 824 C LYS A 52 0.709 -6.394 5.640 1.00 0.00 C ATOM 825 O LYS A 52 0.614 -5.235 6.039 1.00 0.00 O ATOM 826 CB LYS A 52 2.284 -8.243 6.455 1.00 0.00 C ATOM 827 CG LYS A 52 2.979 -8.440 7.805 1.00 0.00 C ATOM 828 CD LYS A 52 4.184 -7.507 7.942 1.00 0.00 C ATOM 829 CE LYS A 52 3.908 -6.403 8.965 1.00 0.00 C ATOM 830 NZ LYS A 52 3.106 -5.319 8.355 1.00 0.00 N ATOM 0 H LYS A 52 0.093 -9.370 6.060 1.00 0.00 H new ATOM 0 HA LYS A 52 0.959 -7.099 7.626 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.134 -9.210 5.975 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.923 -7.656 5.795 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.273 -8.249 8.613 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.303 -9.476 7.903 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.060 -8.080 8.247 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.416 -7.062 6.974 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.377 -6.818 9.822 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.850 -6.001 9.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.422 -4.401 8.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.230 -5.334 7.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.101 -5.459 8.585 1.00 0.00 H new ATOM 844 N VAL A 53 0.629 -6.760 4.370 1.00 0.00 N ATOM 845 CA VAL A 53 0.414 -5.778 3.320 1.00 0.00 C ATOM 846 C VAL A 53 -0.627 -4.758 3.788 1.00 0.00 C ATOM 847 O VAL A 53 -0.316 -3.579 3.952 1.00 0.00 O ATOM 848 CB VAL A 53 0.022 -6.480 2.019 1.00 0.00 C ATOM 849 CG1 VAL A 53 -0.889 -5.589 1.170 1.00 0.00 C ATOM 850 CG2 VAL A 53 1.261 -6.907 1.230 1.00 0.00 C ATOM 0 H VAL A 53 0.709 -7.723 4.043 1.00 0.00 H new ATOM 0 HA VAL A 53 1.334 -5.232 3.113 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.535 -7.380 2.279 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.154 -6.111 0.250 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.795 -5.357 1.729 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.367 -4.664 0.925 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.953 -7.404 0.310 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.858 -6.028 0.986 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.856 -7.594 1.831 1.00 0.00 H new ATOM 860 N GLU A 54 -1.841 -5.249 3.989 1.00 0.00 N ATOM 861 CA GLU A 54 -2.929 -4.396 4.434 1.00 0.00 C ATOM 862 C GLU A 54 -2.438 -3.427 5.511 1.00 0.00 C ATOM 863 O GLU A 54 -2.433 -2.215 5.305 1.00 0.00 O ATOM 864 CB GLU A 54 -4.107 -5.230 4.942 1.00 0.00 C ATOM 865 CG GLU A 54 -4.533 -6.268 3.902 1.00 0.00 C ATOM 866 CD GLU A 54 -5.965 -6.013 3.426 1.00 0.00 C ATOM 867 OE1 GLU A 54 -6.278 -4.828 3.183 1.00 0.00 O ATOM 868 OE2 GLU A 54 -6.712 -7.008 3.316 1.00 0.00 O ATOM 0 H GLU A 54 -2.095 -6.227 3.852 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.280 -3.813 3.582 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.829 -5.732 5.869 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.947 -4.576 5.173 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.852 -6.236 3.051 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.461 -7.268 4.330 1.00 0.00 H new ATOM 875 N GLU A 55 -2.036 -3.999 6.637 1.00 0.00 N ATOM 876 CA GLU A 55 -1.544 -3.200 7.747 1.00 0.00 C ATOM 877 C GLU A 55 -0.560 -2.142 7.245 1.00 0.00 C ATOM 878 O GLU A 55 -0.439 -1.072 7.839 1.00 0.00 O ATOM 879 CB GLU A 55 -0.898 -4.087 8.815 1.00 0.00 C ATOM 880 CG GLU A 55 -1.691 -4.036 10.122 1.00 0.00 C ATOM 881 CD GLU A 55 -0.980 -3.165 11.160 1.00 0.00 C ATOM 882 OE1 GLU A 55 -1.243 -1.943 11.153 1.00 0.00 O ATOM 883 OE2 GLU A 55 -0.190 -3.741 11.939 1.00 0.00 O ATOM 0 H GLU A 55 -2.041 -5.005 6.804 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.391 -2.690 8.207 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.846 -5.115 8.457 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.126 -3.760 8.994 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.688 -3.640 9.931 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.818 -5.045 10.514 1.00 0.00 H new ATOM 890 N GLU A 56 0.114 -2.477 6.156 1.00 0.00 N ATOM 891 CA GLU A 56 1.083 -1.568 5.566 1.00 0.00 C ATOM 892 C GLU A 56 0.369 -0.471 4.774 1.00 0.00 C ATOM 893 O GLU A 56 0.692 0.708 4.908 1.00 0.00 O ATOM 894 CB GLU A 56 2.078 -2.323 4.683 1.00 0.00 C ATOM 895 CG GLU A 56 3.403 -1.567 4.579 1.00 0.00 C ATOM 896 CD GLU A 56 3.950 -1.224 5.965 1.00 0.00 C ATOM 897 OE1 GLU A 56 4.439 -2.162 6.630 1.00 0.00 O ATOM 898 OE2 GLU A 56 3.866 -0.031 6.330 1.00 0.00 O ATOM 0 H GLU A 56 0.009 -3.365 5.666 1.00 0.00 H new ATOM 0 HA GLU A 56 1.647 -1.098 6.372 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.254 -3.317 5.095 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.655 -2.461 3.688 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.130 -2.173 4.037 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.259 -0.652 4.004 1.00 0.00 H new ATOM 905 N VAL A 57 -0.590 -0.900 3.965 1.00 0.00 N ATOM 906 CA VAL A 57 -1.353 0.031 3.151 1.00 0.00 C ATOM 907 C VAL A 57 -2.220 0.905 4.060 1.00 0.00 C ATOM 908 O VAL A 57 -2.612 2.007 3.678 1.00 0.00 O ATOM 909 CB VAL A 57 -2.167 -0.734 2.105 1.00 0.00 C ATOM 910 CG1 VAL A 57 -2.547 0.175 0.934 1.00 0.00 C ATOM 911 CG2 VAL A 57 -1.407 -1.969 1.616 1.00 0.00 C ATOM 0 H VAL A 57 -0.855 -1.879 3.856 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.685 0.695 2.602 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.088 -1.073 2.579 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.125 -0.393 0.205 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.145 1.009 1.300 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.642 0.557 0.461 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.007 -2.495 0.873 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.463 -1.661 1.167 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.209 -2.632 2.458 1.00 0.00 H new ATOM 921 N LYS A 58 -2.495 0.380 5.245 1.00 0.00 N ATOM 922 CA LYS A 58 -3.308 1.100 6.211 1.00 0.00 C ATOM 923 C LYS A 58 -2.555 2.347 6.677 1.00 0.00 C ATOM 924 O LYS A 58 -3.079 3.457 6.598 1.00 0.00 O ATOM 925 CB LYS A 58 -3.728 0.172 7.354 1.00 0.00 C ATOM 926 CG LYS A 58 -5.084 0.588 7.928 1.00 0.00 C ATOM 927 CD LYS A 58 -6.150 -0.470 7.635 1.00 0.00 C ATOM 928 CE LYS A 58 -7.551 0.070 7.924 1.00 0.00 C ATOM 929 NZ LYS A 58 -8.377 0.052 6.696 1.00 0.00 N ATOM 0 H LYS A 58 -2.170 -0.535 5.558 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.235 1.441 5.750 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.782 -0.855 6.992 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -2.974 0.194 8.141 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.998 0.735 9.005 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.387 1.543 7.500 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.084 -0.779 6.592 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.965 -1.356 8.243 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.027 -0.532 8.698 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.483 1.088 8.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.325 0.422 6.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.930 0.645 5.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.457 -0.924 6.346 1.00 0.00 H new ATOM 943 N LYS A 59 -1.339 2.123 7.151 1.00 0.00 N ATOM 944 CA LYS A 59 -0.509 3.215 7.630 1.00 0.00 C ATOM 945 C LYS A 59 -0.614 4.394 6.659 1.00 0.00 C ATOM 946 O LYS A 59 -0.598 5.550 7.076 1.00 0.00 O ATOM 947 CB LYS A 59 0.926 2.736 7.863 1.00 0.00 C ATOM 948 CG LYS A 59 1.742 3.795 8.608 1.00 0.00 C ATOM 949 CD LYS A 59 3.236 3.640 8.315 1.00 0.00 C ATOM 950 CE LYS A 59 3.910 2.750 9.360 1.00 0.00 C ATOM 951 NZ LYS A 59 5.057 3.453 9.979 1.00 0.00 N ATOM 0 H LYS A 59 -0.908 1.201 7.214 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.864 3.566 8.599 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.915 1.809 8.437 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.399 2.513 6.907 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.411 4.790 8.311 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.567 3.707 9.680 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.373 3.210 7.323 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.712 4.621 8.306 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.189 2.472 10.129 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.251 1.826 8.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.503 2.834 10.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.752 3.697 9.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.723 4.322 10.442 1.00 0.00 H new ATOM 965 N LEU A 60 -0.719 4.057 5.382 1.00 0.00 N ATOM 966 CA LEU A 60 -0.827 5.073 4.347 1.00 0.00 C ATOM 967 C LEU A 60 -2.212 5.720 4.416 1.00 0.00 C ATOM 968 O LEU A 60 -2.349 6.855 4.870 1.00 0.00 O ATOM 969 CB LEU A 60 -0.493 4.479 2.978 1.00 0.00 C ATOM 970 CG LEU A 60 0.982 4.523 2.569 1.00 0.00 C ATOM 971 CD1 LEU A 60 1.487 3.129 2.191 1.00 0.00 C ATOM 972 CD2 LEU A 60 1.210 5.539 1.449 1.00 0.00 C ATOM 0 H LEU A 60 -0.732 3.096 5.040 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.097 5.865 4.512 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.822 3.440 2.965 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.075 5.008 2.223 1.00 0.00 H new ATOM 0 HG LEU A 60 1.566 4.855 3.428 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.537 3.188 1.904 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.381 2.460 3.045 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.903 2.745 1.354 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.266 5.550 1.177 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.614 5.262 0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.913 6.530 1.791 1.00 0.00 H new ATOM 984 N GLU A 61 -3.204 4.970 3.959 1.00 0.00 N ATOM 985 CA GLU A 61 -4.572 5.456 3.963 1.00 0.00 C ATOM 986 C GLU A 61 -4.825 6.321 5.199 1.00 0.00 C ATOM 987 O GLU A 61 -5.474 7.363 5.109 1.00 0.00 O ATOM 988 CB GLU A 61 -5.568 4.295 3.895 1.00 0.00 C ATOM 989 CG GLU A 61 -5.892 3.935 2.443 1.00 0.00 C ATOM 990 CD GLU A 61 -7.361 4.216 2.124 1.00 0.00 C ATOM 991 OE1 GLU A 61 -7.706 5.416 2.049 1.00 0.00 O ATOM 992 OE2 GLU A 61 -8.106 3.226 1.961 1.00 0.00 O ATOM 0 H GLU A 61 -3.087 4.029 3.583 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.719 6.071 3.075 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.154 3.425 4.405 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.484 4.566 4.419 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.254 4.509 1.771 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.673 2.882 2.268 1.00 0.00 H new ATOM 999 N GLU A 62 -4.300 5.859 6.324 1.00 0.00 N ATOM 1000 CA GLU A 62 -4.459 6.579 7.575 1.00 0.00 C ATOM 1001 C GLU A 62 -3.721 7.918 7.517 1.00 0.00 C ATOM 1002 O GLU A 62 -4.349 8.976 7.510 1.00 0.00 O ATOM 1003 CB GLU A 62 -3.973 5.737 8.757 1.00 0.00 C ATOM 1004 CG GLU A 62 -5.142 5.324 9.654 1.00 0.00 C ATOM 1005 CD GLU A 62 -5.149 6.133 10.953 1.00 0.00 C ATOM 1006 OE1 GLU A 62 -5.427 7.348 10.863 1.00 0.00 O ATOM 1007 OE2 GLU A 62 -4.878 5.517 12.006 1.00 0.00 O ATOM 0 H GLU A 62 -3.764 4.994 6.395 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.520 6.778 7.723 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.461 4.848 8.389 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.247 6.305 9.338 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.082 5.473 9.123 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.071 4.261 9.884 1.00 0.00 H new ATOM 1014 N GLU A 63 -2.400 7.828 7.474 1.00 0.00 N ATOM 1015 CA GLU A 63 -1.571 9.019 7.416 1.00 0.00 C ATOM 1016 C GLU A 63 -2.023 9.925 6.268 1.00 0.00 C ATOM 1017 O GLU A 63 -2.243 11.119 6.464 1.00 0.00 O ATOM 1018 CB GLU A 63 -0.093 8.652 7.276 1.00 0.00 C ATOM 1019 CG GLU A 63 0.773 9.491 8.218 1.00 0.00 C ATOM 1020 CD GLU A 63 2.192 9.647 7.667 1.00 0.00 C ATOM 1021 OE1 GLU A 63 2.303 10.099 6.507 1.00 0.00 O ATOM 1022 OE2 GLU A 63 3.133 9.311 8.418 1.00 0.00 O ATOM 0 H GLU A 63 -1.883 6.948 7.478 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.688 9.566 8.352 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.045 7.593 7.496 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.228 8.808 6.246 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.322 10.474 8.353 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.810 9.019 9.200 1.00 0.00 H new ATOM 1029 N ILE A 64 -2.146 9.322 5.094 1.00 0.00 N ATOM 1030 CA ILE A 64 -2.567 10.058 3.916 1.00 0.00 C ATOM 1031 C ILE A 64 -3.864 10.810 4.225 1.00 0.00 C ATOM 1032 O ILE A 64 -4.045 11.948 3.792 1.00 0.00 O ATOM 1033 CB ILE A 64 -2.672 9.124 2.709 1.00 0.00 C ATOM 1034 CG1 ILE A 64 -1.355 8.380 2.476 1.00 0.00 C ATOM 1035 CG2 ILE A 64 -3.128 9.887 1.463 1.00 0.00 C ATOM 1036 CD1 ILE A 64 -1.177 8.029 0.997 1.00 0.00 C ATOM 0 H ILE A 64 -1.961 8.332 4.935 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.820 10.805 3.648 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.433 8.373 2.923 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.521 8.997 2.810 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.337 7.469 3.074 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.194 9.200 0.620 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.106 10.332 1.646 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.409 10.673 1.234 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.233 7.501 0.859 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.000 7.392 0.673 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.171 8.944 0.404 1.00 0.00 H new ATOM 1048 N LYS A 65 -4.732 10.145 4.972 1.00 0.00 N ATOM 1049 CA LYS A 65 -6.007 10.736 5.344 1.00 0.00 C ATOM 1050 C LYS A 65 -5.760 11.915 6.288 1.00 0.00 C ATOM 1051 O LYS A 65 -6.599 12.807 6.406 1.00 0.00 O ATOM 1052 CB LYS A 65 -6.942 9.672 5.921 1.00 0.00 C ATOM 1053 CG LYS A 65 -7.841 9.084 4.832 1.00 0.00 C ATOM 1054 CD LYS A 65 -9.256 8.841 5.360 1.00 0.00 C ATOM 1055 CE LYS A 65 -9.455 7.371 5.737 1.00 0.00 C ATOM 1056 NZ LYS A 65 -9.674 7.235 7.195 1.00 0.00 N ATOM 0 H LYS A 65 -4.578 9.202 5.330 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.516 11.131 4.465 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.355 8.877 6.381 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -7.556 10.110 6.707 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.879 9.764 3.981 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.417 8.146 4.473 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.436 9.471 6.231 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.985 9.128 4.602 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.308 6.963 5.195 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.581 6.791 5.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.807 6.232 7.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.848 7.606 7.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.521 7.772 7.470 1.00 0.00 H new ATOM 1070 N LYS A 66 -4.605 11.882 6.936 1.00 0.00 N ATOM 1071 CA LYS A 66 -4.238 12.937 7.866 1.00 0.00 C ATOM 1072 C LYS A 66 -3.415 13.996 7.130 1.00 0.00 C ATOM 1073 O LYS A 66 -3.475 15.178 7.465 1.00 0.00 O ATOM 1074 CB LYS A 66 -3.532 12.350 9.090 1.00 0.00 C ATOM 1075 CG LYS A 66 -4.158 12.869 10.385 1.00 0.00 C ATOM 1076 CD LYS A 66 -3.339 14.022 10.969 1.00 0.00 C ATOM 1077 CE LYS A 66 -4.119 15.337 10.902 1.00 0.00 C ATOM 1078 NZ LYS A 66 -3.258 16.471 11.308 1.00 0.00 N ATOM 0 H LYS A 66 -3.911 11.141 6.836 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.129 13.435 8.249 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.593 11.262 9.063 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.474 12.610 9.064 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.177 13.204 10.191 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.222 12.059 11.112 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.080 13.801 12.004 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.402 14.122 10.420 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.488 15.497 9.889 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.991 15.283 11.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.802 17.356 11.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.927 16.324 12.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.439 16.531 10.670 1.00 0.00 H new ATOM 1092 N LEU A 67 -2.666 13.534 6.139 1.00 0.00 N ATOM 1093 CA LEU A 67 -1.833 14.428 5.352 1.00 0.00 C ATOM 1094 C LEU A 67 -2.711 15.499 4.704 1.00 0.00 C ATOM 1095 O LEU A 67 -2.210 16.526 4.249 1.00 0.00 O ATOM 1096 CB LEU A 67 -0.993 13.633 4.350 1.00 0.00 C ATOM 1097 CG LEU A 67 0.189 12.856 4.934 1.00 0.00 C ATOM 1098 CD1 LEU A 67 0.588 11.695 4.019 1.00 0.00 C ATOM 1099 CD2 LEU A 67 1.368 13.788 5.223 1.00 0.00 C ATOM 0 H LEU A 67 -2.619 12.553 5.863 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.119 14.946 5.993 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.647 12.929 3.836 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.612 14.323 3.597 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.122 12.425 5.885 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.430 11.159 4.457 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.256 11.014 3.906 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.874 12.084 3.042 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.195 13.211 5.637 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.688 14.268 4.298 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.062 14.550 5.940 1.00 0.00 H new TER 1111 LEU A 67