USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 657 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 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 39 GLN : amide:sc= -0.786 K(o=-0.79,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.00554 USER MOD Single : A 41 SER OG : rot 180:sc= -0.23 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 140:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.502 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0111 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 CYS SG : rot -26:sc= 0.793 USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -0.0161 K(o=-0.016,f=-1.8!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -170:sc=-0.00945 (180deg=-0.0125) USER MOD Single : A 102 MET CE :methyl -128:sc= -2.35 (180deg=-4.27!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 29 -10.659 19.377 4.946 1.00 0.00 N ATOM 2 CA LYS A 29 -9.227 19.174 4.587 1.00 0.00 C ATOM 3 C LYS A 29 -9.123 18.124 3.479 1.00 0.00 C ATOM 4 O LYS A 29 -10.007 17.311 3.296 1.00 0.00 O ATOM 5 CB LYS A 29 -8.456 18.694 5.819 1.00 0.00 C ATOM 6 CG LYS A 29 -8.695 19.661 6.980 1.00 0.00 C ATOM 7 CD LYS A 29 -8.698 18.885 8.299 1.00 0.00 C ATOM 8 CE LYS A 29 -7.257 18.588 8.720 1.00 0.00 C ATOM 9 NZ LYS A 29 -7.262 17.661 9.887 1.00 0.00 N ATOM 0 HA LYS A 29 -8.803 20.115 4.237 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.780 17.690 6.095 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.391 18.635 5.594 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.917 20.425 6.997 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.646 20.177 6.847 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.202 19.464 9.073 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.254 17.954 8.184 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.709 18.142 7.890 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.744 19.514 8.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.283 17.459 10.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.771 18.103 10.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.736 16.774 9.623 1.00 0.00 H new ATOM 22 N GLY A 30 -8.049 18.134 2.738 1.00 0.00 N ATOM 23 CA GLY A 30 -7.889 17.136 1.643 1.00 0.00 C ATOM 24 C GLY A 30 -6.463 16.584 1.658 1.00 0.00 C ATOM 25 O GLY A 30 -5.740 16.680 0.686 1.00 0.00 O ATOM 0 H GLY A 30 -7.275 18.790 2.844 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.605 16.324 1.769 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.100 17.601 0.680 1.00 0.00 H new ATOM 29 N ASP A 31 -6.052 16.007 2.754 1.00 0.00 N ATOM 30 CA ASP A 31 -4.672 15.450 2.830 1.00 0.00 C ATOM 31 C ASP A 31 -4.734 13.922 2.779 1.00 0.00 C ATOM 32 O ASP A 31 -5.093 13.273 3.741 1.00 0.00 O ATOM 33 CB ASP A 31 -4.016 15.890 4.140 1.00 0.00 C ATOM 34 CG ASP A 31 -2.743 16.682 3.833 1.00 0.00 C ATOM 35 OD1 ASP A 31 -2.861 17.767 3.287 1.00 0.00 O ATOM 36 OD2 ASP A 31 -1.672 16.190 4.149 1.00 0.00 O ATOM 0 H ASP A 31 -6.612 15.897 3.600 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.086 15.818 1.988 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.708 16.503 4.718 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -3.777 15.019 4.750 1.00 0.00 H new ATOM 41 N GLY A 32 -4.387 13.342 1.663 1.00 0.00 N ATOM 42 CA GLY A 32 -4.426 11.856 1.552 1.00 0.00 C ATOM 43 C GLY A 32 -3.013 11.325 1.304 1.00 0.00 C ATOM 44 O GLY A 32 -2.285 11.834 0.475 1.00 0.00 O ATOM 0 H GLY A 32 -4.078 13.832 0.824 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.833 11.423 2.466 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.086 11.559 0.737 1.00 0.00 H new ATOM 48 N VAL A 33 -2.617 10.307 2.018 1.00 0.00 N ATOM 49 CA VAL A 33 -1.250 9.747 1.823 1.00 0.00 C ATOM 50 C VAL A 33 -1.236 8.276 2.244 1.00 0.00 C ATOM 51 O VAL A 33 -1.917 7.878 3.168 1.00 0.00 O ATOM 52 CB VAL A 33 -0.252 10.531 2.676 1.00 0.00 C ATOM 53 CG1 VAL A 33 0.005 11.897 2.036 1.00 0.00 C ATOM 54 CG2 VAL A 33 -0.827 10.728 4.080 1.00 0.00 C ATOM 0 H VAL A 33 -3.181 9.839 2.728 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.971 9.826 0.772 1.00 0.00 H new ATOM 0 HB VAL A 33 0.685 9.977 2.740 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.716 12.456 2.644 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.413 11.759 1.035 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.932 12.451 1.972 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.116 11.287 4.689 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.764 11.282 4.015 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.011 9.756 4.537 1.00 0.00 H new ATOM 64 N VAL A 34 -0.464 7.465 1.572 1.00 0.00 N ATOM 65 CA VAL A 34 -0.407 6.021 1.934 1.00 0.00 C ATOM 66 C VAL A 34 1.052 5.603 2.133 1.00 0.00 C ATOM 67 O VAL A 34 1.947 6.111 1.487 1.00 0.00 O ATOM 68 CB VAL A 34 -1.027 5.189 0.811 1.00 0.00 C ATOM 69 CG1 VAL A 34 -1.054 3.716 1.221 1.00 0.00 C ATOM 70 CG2 VAL A 34 -2.456 5.671 0.551 1.00 0.00 C ATOM 0 H VAL A 34 0.129 7.740 0.789 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.962 5.855 2.857 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.433 5.302 -0.096 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.496 3.123 0.420 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.037 3.372 1.408 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.648 3.601 2.128 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.900 5.079 -0.249 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.049 5.557 1.458 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.438 6.721 0.259 1.00 0.00 H new ATOM 80 N ARG A 35 1.299 4.681 3.022 1.00 0.00 N ATOM 81 CA ARG A 35 2.700 4.232 3.261 1.00 0.00 C ATOM 82 C ARG A 35 2.924 2.877 2.586 1.00 0.00 C ATOM 83 O ARG A 35 2.556 1.844 3.108 1.00 0.00 O ATOM 84 CB ARG A 35 2.943 4.097 4.766 1.00 0.00 C ATOM 85 CG ARG A 35 4.379 3.630 5.011 1.00 0.00 C ATOM 86 CD ARG A 35 4.716 3.772 6.496 1.00 0.00 C ATOM 87 NE ARG A 35 5.866 4.704 6.658 1.00 0.00 N ATOM 88 CZ ARG A 35 6.541 4.722 7.775 1.00 0.00 C ATOM 89 NH1 ARG A 35 7.095 3.628 8.220 1.00 0.00 N ATOM 90 NH2 ARG A 35 6.660 5.834 8.448 1.00 0.00 N ATOM 0 H ARG A 35 0.592 4.219 3.593 1.00 0.00 H new ATOM 0 HA ARG A 35 3.392 4.965 2.845 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.771 5.053 5.260 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.239 3.385 5.196 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.493 2.592 4.699 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.072 4.221 4.412 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.850 4.147 7.042 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.961 2.798 6.919 1.00 0.00 H new ATOM 0 HE ARG A 35 6.127 5.329 5.895 1.00 0.00 H new ATOM 0 HH11 ARG A 35 7.001 2.759 7.695 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.623 3.642 9.093 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.225 6.689 8.101 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.188 5.848 9.321 1.00 0.00 H new ATOM 104 N ILE A 36 3.527 2.873 1.428 1.00 0.00 N ATOM 105 CA ILE A 36 3.774 1.584 0.723 1.00 0.00 C ATOM 106 C ILE A 36 5.253 1.211 0.846 1.00 0.00 C ATOM 107 O ILE A 36 6.109 1.812 0.228 1.00 0.00 O ATOM 108 CB ILE A 36 3.407 1.732 -0.755 1.00 0.00 C ATOM 109 CG1 ILE A 36 2.040 2.409 -0.875 1.00 0.00 C ATOM 110 CG2 ILE A 36 3.350 0.350 -1.407 1.00 0.00 C ATOM 111 CD1 ILE A 36 1.919 3.077 -2.245 1.00 0.00 C ATOM 0 H ILE A 36 3.859 3.706 0.941 1.00 0.00 H new ATOM 0 HA ILE A 36 3.163 0.801 1.172 1.00 0.00 H new ATOM 0 HB ILE A 36 4.159 2.340 -1.257 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.246 1.674 -0.746 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.919 3.151 -0.085 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.089 0.455 -2.460 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.323 -0.133 -1.321 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.597 -0.258 -0.905 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.945 3.559 -2.330 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.705 3.824 -2.356 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.021 2.324 -3.027 1.00 0.00 H new ATOM 123 N GLN A 37 5.560 0.222 1.641 1.00 0.00 N ATOM 124 CA GLN A 37 6.983 -0.189 1.803 1.00 0.00 C ATOM 125 C GLN A 37 7.076 -1.716 1.802 1.00 0.00 C ATOM 126 O GLN A 37 6.263 -2.397 2.394 1.00 0.00 O ATOM 127 CB GLN A 37 7.523 0.354 3.128 1.00 0.00 C ATOM 128 CG GLN A 37 6.504 0.095 4.240 1.00 0.00 C ATOM 129 CD GLN A 37 7.237 -0.137 5.562 1.00 0.00 C ATOM 130 OE1 GLN A 37 8.144 0.596 5.904 1.00 0.00 O ATOM 131 NE2 GLN A 37 6.881 -1.133 6.325 1.00 0.00 N ATOM 0 H GLN A 37 4.887 -0.318 2.185 1.00 0.00 H new ATOM 0 HA GLN A 37 7.573 0.212 0.979 1.00 0.00 H new ATOM 0 HB2 GLN A 37 8.471 -0.126 3.370 1.00 0.00 H new ATOM 0 HB3 GLN A 37 7.719 1.423 3.042 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.827 0.944 4.332 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.894 -0.774 3.993 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.120 -1.748 6.038 1.00 0.00 H new ATOM 0 HE22 GLN A 37 7.364 -1.297 7.209 1.00 0.00 H new ATOM 140 N ARG A 38 8.060 -2.260 1.139 1.00 0.00 N ATOM 141 CA ARG A 38 8.202 -3.742 1.100 1.00 0.00 C ATOM 142 C ARG A 38 9.127 -4.197 2.230 1.00 0.00 C ATOM 143 O ARG A 38 10.229 -3.708 2.378 1.00 0.00 O ATOM 144 CB ARG A 38 8.797 -4.162 -0.246 1.00 0.00 C ATOM 145 CG ARG A 38 10.259 -3.719 -0.319 1.00 0.00 C ATOM 146 CD ARG A 38 10.685 -3.600 -1.784 1.00 0.00 C ATOM 147 NE ARG A 38 12.172 -3.561 -1.867 1.00 0.00 N ATOM 148 CZ ARG A 38 12.815 -4.514 -2.485 1.00 0.00 C ATOM 149 NH1 ARG A 38 12.624 -5.759 -2.144 1.00 0.00 N ATOM 150 NH2 ARG A 38 13.650 -4.222 -3.444 1.00 0.00 N ATOM 0 H ARG A 38 8.771 -1.742 0.623 1.00 0.00 H new ATOM 0 HA ARG A 38 7.222 -4.204 1.225 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.727 -5.243 -0.365 1.00 0.00 H new ATOM 0 HB3 ARG A 38 8.229 -3.715 -1.062 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.385 -2.761 0.186 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.894 -4.438 0.198 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.300 -4.445 -2.356 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.262 -2.697 -2.225 1.00 0.00 H new ATOM 0 HE ARG A 38 12.687 -2.790 -1.441 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.972 -5.988 -1.394 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.127 -6.503 -2.628 1.00 0.00 H new ATOM 0 HH21 ARG A 38 13.800 -3.249 -3.711 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.153 -4.967 -3.927 1.00 0.00 H new ATOM 164 N GLN A 39 8.688 -5.132 3.028 1.00 0.00 N ATOM 165 CA GLN A 39 9.544 -5.618 4.148 1.00 0.00 C ATOM 166 C GLN A 39 9.907 -7.085 3.910 1.00 0.00 C ATOM 167 O GLN A 39 9.294 -7.983 4.452 1.00 0.00 O ATOM 168 CB GLN A 39 8.779 -5.490 5.467 1.00 0.00 C ATOM 169 CG GLN A 39 9.773 -5.366 6.623 1.00 0.00 C ATOM 170 CD GLN A 39 9.014 -5.092 7.923 1.00 0.00 C ATOM 171 OE1 GLN A 39 9.535 -4.465 8.824 1.00 0.00 O ATOM 172 NE2 GLN A 39 7.795 -5.537 8.058 1.00 0.00 N ATOM 0 H GLN A 39 7.775 -5.580 2.953 1.00 0.00 H new ATOM 0 HA GLN A 39 10.454 -5.020 4.197 1.00 0.00 H new ATOM 0 HB2 GLN A 39 8.127 -4.617 5.438 1.00 0.00 H new ATOM 0 HB3 GLN A 39 8.140 -6.360 5.615 1.00 0.00 H new ATOM 0 HG2 GLN A 39 10.355 -6.283 6.716 1.00 0.00 H new ATOM 0 HG3 GLN A 39 10.479 -4.559 6.425 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.358 -6.063 7.302 1.00 0.00 H new ATOM 0 HE22 GLN A 39 7.279 -5.359 8.920 1.00 0.00 H new ATOM 181 N THR A 40 10.901 -7.336 3.102 1.00 0.00 N ATOM 182 CA THR A 40 11.302 -8.745 2.829 1.00 0.00 C ATOM 183 C THR A 40 11.484 -9.490 4.153 1.00 0.00 C ATOM 184 O THR A 40 11.626 -8.890 5.199 1.00 0.00 O ATOM 185 CB THR A 40 12.620 -8.758 2.050 1.00 0.00 C ATOM 186 OG1 THR A 40 13.492 -7.772 2.583 1.00 0.00 O ATOM 187 CG2 THR A 40 12.346 -8.457 0.576 1.00 0.00 C ATOM 0 H THR A 40 11.452 -6.626 2.619 1.00 0.00 H new ATOM 0 HA THR A 40 10.527 -9.236 2.240 1.00 0.00 H new ATOM 0 HB THR A 40 13.085 -9.740 2.137 1.00 0.00 H new ATOM 0 HG1 THR A 40 14.337 -7.780 2.087 1.00 0.00 H new ATOM 0 HG21 THR A 40 13.285 -8.466 0.022 1.00 0.00 H new ATOM 0 HG22 THR A 40 11.677 -9.214 0.168 1.00 0.00 H new ATOM 0 HG23 THR A 40 11.881 -7.475 0.485 1.00 0.00 H new ATOM 195 N SER A 41 11.482 -10.794 4.115 1.00 0.00 N ATOM 196 CA SER A 41 11.654 -11.577 5.371 1.00 0.00 C ATOM 197 C SER A 41 12.366 -12.894 5.057 1.00 0.00 C ATOM 198 O SER A 41 12.065 -13.924 5.627 1.00 0.00 O ATOM 199 CB SER A 41 10.284 -11.871 5.981 1.00 0.00 C ATOM 200 OG SER A 41 9.378 -10.836 5.620 1.00 0.00 O ATOM 0 H SER A 41 11.369 -11.351 3.268 1.00 0.00 H new ATOM 0 HA SER A 41 12.250 -11.001 6.079 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.914 -12.834 5.627 1.00 0.00 H new ATOM 0 HB3 SER A 41 10.363 -11.939 7.066 1.00 0.00 H new ATOM 0 HG SER A 41 8.498 -11.022 6.008 1.00 0.00 H new ATOM 206 N GLY A 42 13.309 -12.870 4.155 1.00 0.00 N ATOM 207 CA GLY A 42 14.038 -14.122 3.806 1.00 0.00 C ATOM 208 C GLY A 42 14.546 -14.035 2.366 1.00 0.00 C ATOM 209 O GLY A 42 14.184 -13.145 1.623 1.00 0.00 O ATOM 0 H GLY A 42 13.606 -12.038 3.645 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.874 -14.270 4.489 1.00 0.00 H new ATOM 0 HA3 GLY A 42 13.378 -14.982 3.918 1.00 0.00 H new ATOM 213 N ARG A 43 15.382 -14.953 1.966 1.00 0.00 N ATOM 214 CA ARG A 43 15.912 -14.923 0.573 1.00 0.00 C ATOM 215 C ARG A 43 15.237 -16.021 -0.251 1.00 0.00 C ATOM 216 O ARG A 43 15.888 -16.788 -0.932 1.00 0.00 O ATOM 217 CB ARG A 43 17.424 -15.161 0.598 1.00 0.00 C ATOM 218 CG ARG A 43 18.131 -13.900 1.097 1.00 0.00 C ATOM 219 CD ARG A 43 19.642 -14.137 1.119 1.00 0.00 C ATOM 220 NE ARG A 43 20.332 -12.895 1.570 1.00 0.00 N ATOM 221 CZ ARG A 43 21.636 -12.858 1.630 1.00 0.00 C ATOM 222 NH1 ARG A 43 22.343 -13.769 1.019 1.00 0.00 N ATOM 223 NH2 ARG A 43 22.231 -11.910 2.301 1.00 0.00 N ATOM 0 H ARG A 43 15.721 -15.723 2.543 1.00 0.00 H new ATOM 0 HA ARG A 43 15.704 -13.951 0.125 1.00 0.00 H new ATOM 0 HB2 ARG A 43 17.659 -16.004 1.248 1.00 0.00 H new ATOM 0 HB3 ARG A 43 17.779 -15.419 -0.400 1.00 0.00 H new ATOM 0 HG2 ARG A 43 17.894 -13.057 0.449 1.00 0.00 H new ATOM 0 HG3 ARG A 43 17.778 -13.643 2.096 1.00 0.00 H new ATOM 0 HD2 ARG A 43 19.882 -14.963 1.789 1.00 0.00 H new ATOM 0 HD3 ARG A 43 19.991 -14.420 0.126 1.00 0.00 H new ATOM 0 HE ARG A 43 19.786 -12.074 1.832 1.00 0.00 H new ATOM 0 HH11 ARG A 43 21.877 -14.510 0.495 1.00 0.00 H new ATOM 0 HH12 ARG A 43 23.362 -13.740 1.066 1.00 0.00 H new ATOM 0 HH21 ARG A 43 21.678 -11.198 2.778 1.00 0.00 H new ATOM 0 HH22 ARG A 43 23.249 -11.881 2.348 1.00 0.00 H new ATOM 237 N LYS A 44 13.936 -16.102 -0.195 1.00 0.00 N ATOM 238 CA LYS A 44 13.221 -17.152 -0.974 1.00 0.00 C ATOM 239 C LYS A 44 12.072 -16.514 -1.758 1.00 0.00 C ATOM 240 O LYS A 44 10.950 -16.981 -1.724 1.00 0.00 O ATOM 241 CB LYS A 44 12.665 -18.206 -0.015 1.00 0.00 C ATOM 242 CG LYS A 44 13.822 -18.999 0.595 1.00 0.00 C ATOM 243 CD LYS A 44 13.291 -19.918 1.697 1.00 0.00 C ATOM 244 CE LYS A 44 14.396 -20.881 2.133 1.00 0.00 C ATOM 245 NZ LYS A 44 14.125 -21.353 3.520 1.00 0.00 N ATOM 0 H LYS A 44 13.337 -15.487 0.356 1.00 0.00 H new ATOM 0 HA LYS A 44 13.914 -17.624 -1.670 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.083 -17.726 0.772 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.990 -18.877 -0.546 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.318 -19.588 -0.176 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.567 -18.317 1.004 1.00 0.00 H new ATOM 0 HD2 LYS A 44 12.953 -19.326 2.548 1.00 0.00 H new ATOM 0 HD3 LYS A 44 12.428 -20.477 1.335 1.00 0.00 H new ATOM 0 HE2 LYS A 44 14.443 -21.730 1.451 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.365 -20.383 2.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 14.876 -22.008 3.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.101 -20.538 4.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.208 -21.843 3.547 1.00 0.00 H new ATOM 259 N GLY A 45 12.342 -15.452 -2.466 1.00 0.00 N ATOM 260 CA GLY A 45 11.266 -14.787 -3.254 1.00 0.00 C ATOM 261 C GLY A 45 10.093 -14.444 -2.333 1.00 0.00 C ATOM 262 O GLY A 45 8.944 -14.620 -2.684 1.00 0.00 O ATOM 0 H GLY A 45 13.262 -15.016 -2.533 1.00 0.00 H new ATOM 0 HA2 GLY A 45 11.651 -13.881 -3.722 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.931 -15.443 -4.057 1.00 0.00 H new ATOM 266 N LYS A 46 10.374 -13.954 -1.156 1.00 0.00 N ATOM 267 CA LYS A 46 9.275 -13.600 -0.214 1.00 0.00 C ATOM 268 C LYS A 46 9.032 -12.090 -0.260 1.00 0.00 C ATOM 269 O LYS A 46 9.592 -11.337 0.512 1.00 0.00 O ATOM 270 CB LYS A 46 9.672 -14.009 1.206 1.00 0.00 C ATOM 271 CG LYS A 46 8.592 -14.916 1.800 1.00 0.00 C ATOM 272 CD LYS A 46 8.984 -15.306 3.227 1.00 0.00 C ATOM 273 CE LYS A 46 7.921 -16.236 3.814 1.00 0.00 C ATOM 274 NZ LYS A 46 8.277 -16.568 5.223 1.00 0.00 N ATOM 0 H LYS A 46 11.317 -13.784 -0.806 1.00 0.00 H new ATOM 0 HA LYS A 46 8.364 -14.124 -0.503 1.00 0.00 H new ATOM 0 HB2 LYS A 46 10.630 -14.529 1.191 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.800 -13.123 1.828 1.00 0.00 H new ATOM 0 HG2 LYS A 46 7.631 -14.402 1.803 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.474 -15.809 1.187 1.00 0.00 H new ATOM 0 HD2 LYS A 46 9.955 -15.802 3.226 1.00 0.00 H new ATOM 0 HD3 LYS A 46 9.082 -14.413 3.845 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.943 -15.757 3.778 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.852 -17.148 3.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.555 -17.200 5.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.203 -17.041 5.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.322 -15.694 5.785 1.00 0.00 H new ATOM 288 N GLY A 47 8.201 -11.639 -1.161 1.00 0.00 N ATOM 289 CA GLY A 47 7.925 -10.177 -1.255 1.00 0.00 C ATOM 290 C GLY A 47 6.561 -9.871 -0.632 1.00 0.00 C ATOM 291 O GLY A 47 5.572 -10.507 -0.936 1.00 0.00 O ATOM 0 H GLY A 47 7.702 -12.219 -1.835 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.705 -9.616 -0.741 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.939 -9.860 -2.298 1.00 0.00 H new ATOM 295 N VAL A 48 6.502 -8.899 0.239 1.00 0.00 N ATOM 296 CA VAL A 48 5.202 -8.551 0.880 1.00 0.00 C ATOM 297 C VAL A 48 5.124 -7.037 1.085 1.00 0.00 C ATOM 298 O VAL A 48 6.130 -6.364 1.197 1.00 0.00 O ATOM 299 CB VAL A 48 5.099 -9.254 2.235 1.00 0.00 C ATOM 300 CG1 VAL A 48 5.114 -10.770 2.027 1.00 0.00 C ATOM 301 CG2 VAL A 48 6.287 -8.849 3.110 1.00 0.00 C ATOM 0 H VAL A 48 7.297 -8.332 0.534 1.00 0.00 H new ATOM 0 HA VAL A 48 4.382 -8.874 0.239 1.00 0.00 H new ATOM 0 HB VAL A 48 4.169 -8.964 2.725 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.041 -11.270 2.993 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.269 -11.060 1.403 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.043 -11.061 1.537 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.215 -9.349 4.076 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.216 -9.140 2.619 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.278 -7.769 3.259 1.00 0.00 H new ATOM 311 N CYS A 49 3.938 -6.493 1.135 1.00 0.00 N ATOM 312 CA CYS A 49 3.801 -5.022 1.331 1.00 0.00 C ATOM 313 C CYS A 49 2.894 -4.748 2.533 1.00 0.00 C ATOM 314 O CYS A 49 1.776 -5.220 2.599 1.00 0.00 O ATOM 315 CB CYS A 49 3.188 -4.395 0.077 1.00 0.00 C ATOM 316 SG CYS A 49 4.147 -2.934 -0.396 1.00 0.00 S ATOM 0 H CYS A 49 3.059 -7.003 1.049 1.00 0.00 H new ATOM 0 HA CYS A 49 4.784 -4.588 1.512 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.181 -5.118 -0.738 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.151 -4.117 0.266 1.00 0.00 H new ATOM 0 HG CYS A 49 4.267 -2.894 -1.690 1.00 0.00 H new ATOM 322 N LEU A 50 3.365 -3.988 3.483 1.00 0.00 N ATOM 323 CA LEU A 50 2.529 -3.683 4.678 1.00 0.00 C ATOM 324 C LEU A 50 2.034 -2.238 4.599 1.00 0.00 C ATOM 325 O LEU A 50 2.799 -1.302 4.719 1.00 0.00 O ATOM 326 CB LEU A 50 3.365 -3.866 5.947 1.00 0.00 C ATOM 327 CG LEU A 50 3.347 -5.337 6.363 1.00 0.00 C ATOM 328 CD1 LEU A 50 4.343 -6.122 5.507 1.00 0.00 C ATOM 329 CD2 LEU A 50 3.740 -5.455 7.837 1.00 0.00 C ATOM 0 H LEU A 50 4.293 -3.565 3.483 1.00 0.00 H new ATOM 0 HA LEU A 50 1.675 -4.359 4.705 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.390 -3.540 5.770 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.967 -3.245 6.750 1.00 0.00 H new ATOM 0 HG LEU A 50 2.345 -5.742 6.219 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.330 -7.171 5.804 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.065 -6.039 4.456 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.345 -5.717 5.650 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.727 -6.504 8.134 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.742 -5.049 7.980 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.031 -4.896 8.448 1.00 0.00 H new ATOM 341 N ILE A 51 0.758 -2.048 4.398 1.00 0.00 N ATOM 342 CA ILE A 51 0.216 -0.662 4.312 1.00 0.00 C ATOM 343 C ILE A 51 -0.390 -0.267 5.659 1.00 0.00 C ATOM 344 O ILE A 51 -1.335 -0.870 6.127 1.00 0.00 O ATOM 345 CB ILE A 51 -0.864 -0.604 3.231 1.00 0.00 C ATOM 346 CG1 ILE A 51 -0.463 -1.508 2.064 1.00 0.00 C ATOM 347 CG2 ILE A 51 -1.013 0.835 2.734 1.00 0.00 C ATOM 348 CD1 ILE A 51 0.786 -0.942 1.386 1.00 0.00 C ATOM 0 H ILE A 51 0.068 -2.792 4.290 1.00 0.00 H new ATOM 0 HA ILE A 51 1.021 0.028 4.060 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.813 -0.944 3.646 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.268 -2.519 2.423 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.280 -1.577 1.346 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.783 0.876 1.963 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.297 1.480 3.566 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.065 1.176 2.318 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.072 -1.586 0.554 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.575 0.060 1.013 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.602 -0.896 2.107 1.00 0.00 H new ATOM 360 N THR A 52 0.145 0.744 6.287 1.00 0.00 N ATOM 361 CA THR A 52 -0.403 1.177 7.603 1.00 0.00 C ATOM 362 C THR A 52 -0.082 2.656 7.828 1.00 0.00 C ATOM 363 O THR A 52 0.004 3.120 8.947 1.00 0.00 O ATOM 364 CB THR A 52 0.229 0.341 8.718 1.00 0.00 C ATOM 365 OG1 THR A 52 0.253 -1.025 8.327 1.00 0.00 O ATOM 366 CG2 THR A 52 -0.593 0.492 9.999 1.00 0.00 C ATOM 0 H THR A 52 0.937 1.288 5.946 1.00 0.00 H new ATOM 0 HA THR A 52 -1.484 1.036 7.611 1.00 0.00 H new ATOM 0 HB THR A 52 1.247 0.686 8.899 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.659 -1.562 9.039 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.142 -0.104 10.793 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.612 1.540 10.298 1.00 0.00 H new ATOM 0 HG23 THR A 52 -1.612 0.147 9.820 1.00 0.00 H new ATOM 374 N GLY A 53 0.093 3.401 6.771 1.00 0.00 N ATOM 375 CA GLY A 53 0.406 4.851 6.924 1.00 0.00 C ATOM 376 C GLY A 53 -0.687 5.682 6.251 1.00 0.00 C ATOM 377 O GLY A 53 -0.450 6.781 5.790 1.00 0.00 O ATOM 0 H GLY A 53 0.033 3.069 5.808 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.476 5.109 7.981 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.375 5.074 6.477 1.00 0.00 H new ATOM 381 N VAL A 54 -1.885 5.167 6.191 1.00 0.00 N ATOM 382 CA VAL A 54 -2.993 5.927 5.548 1.00 0.00 C ATOM 383 C VAL A 54 -3.668 6.823 6.589 1.00 0.00 C ATOM 384 O VAL A 54 -4.065 6.372 7.645 1.00 0.00 O ATOM 385 CB VAL A 54 -4.019 4.947 4.977 1.00 0.00 C ATOM 386 CG1 VAL A 54 -5.028 5.708 4.114 1.00 0.00 C ATOM 387 CG2 VAL A 54 -3.301 3.903 4.118 1.00 0.00 C ATOM 0 H VAL A 54 -2.144 4.252 6.560 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.592 6.543 4.743 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.542 4.451 5.795 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.759 5.009 3.707 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.539 6.454 4.723 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.506 6.204 3.296 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.031 3.203 3.710 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.779 4.401 3.301 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.581 3.360 4.731 1.00 0.00 H new ATOM 397 N ASP A 55 -3.802 8.088 6.300 1.00 0.00 N ATOM 398 CA ASP A 55 -4.453 9.011 7.274 1.00 0.00 C ATOM 399 C ASP A 55 -5.745 9.562 6.668 1.00 0.00 C ATOM 400 O ASP A 55 -5.774 10.650 6.128 1.00 0.00 O ATOM 401 CB ASP A 55 -3.504 10.168 7.592 1.00 0.00 C ATOM 402 CG ASP A 55 -4.101 11.027 8.708 1.00 0.00 C ATOM 403 OD1 ASP A 55 -4.358 10.487 9.771 1.00 0.00 O ATOM 404 OD2 ASP A 55 -4.291 12.211 8.480 1.00 0.00 O ATOM 0 H ASP A 55 -3.489 8.523 5.432 1.00 0.00 H new ATOM 0 HA ASP A 55 -4.684 8.469 8.191 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.532 9.781 7.897 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.341 10.774 6.701 1.00 0.00 H new ATOM 409 N LEU A 56 -6.815 8.819 6.752 1.00 0.00 N ATOM 410 CA LEU A 56 -8.104 9.301 6.180 1.00 0.00 C ATOM 411 C LEU A 56 -9.264 8.797 7.041 1.00 0.00 C ATOM 412 O LEU A 56 -9.065 8.225 8.094 1.00 0.00 O ATOM 413 CB LEU A 56 -8.260 8.768 4.754 1.00 0.00 C ATOM 414 CG LEU A 56 -7.945 9.881 3.754 1.00 0.00 C ATOM 415 CD1 LEU A 56 -7.580 9.264 2.403 1.00 0.00 C ATOM 416 CD2 LEU A 56 -9.172 10.779 3.589 1.00 0.00 C ATOM 0 H LEU A 56 -6.852 7.899 7.192 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.109 10.391 6.164 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.591 7.923 4.596 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.276 8.404 4.600 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.107 10.474 4.121 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.355 10.057 1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.706 8.623 2.520 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.418 8.672 2.035 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.949 11.573 2.876 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.010 10.186 3.221 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.433 11.219 4.552 1.00 0.00 H new ATOM 428 N ASP A 57 -10.475 9.004 6.601 1.00 0.00 N ATOM 429 CA ASP A 57 -11.645 8.534 7.394 1.00 0.00 C ATOM 430 C ASP A 57 -11.558 7.017 7.578 1.00 0.00 C ATOM 431 O ASP A 57 -10.780 6.348 6.927 1.00 0.00 O ATOM 432 CB ASP A 57 -12.938 8.885 6.654 1.00 0.00 C ATOM 433 CG ASP A 57 -13.573 10.121 7.292 1.00 0.00 C ATOM 434 OD1 ASP A 57 -12.901 10.770 8.076 1.00 0.00 O ATOM 435 OD2 ASP A 57 -14.721 10.399 6.985 1.00 0.00 O ATOM 0 H ASP A 57 -10.704 9.478 5.727 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.642 9.020 8.370 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.727 9.074 5.601 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.632 8.045 6.694 1.00 0.00 H new ATOM 440 N ASP A 58 -12.350 6.469 8.458 1.00 0.00 N ATOM 441 CA ASP A 58 -12.309 4.996 8.679 1.00 0.00 C ATOM 442 C ASP A 58 -13.025 4.291 7.526 1.00 0.00 C ATOM 443 O ASP A 58 -12.501 3.376 6.923 1.00 0.00 O ATOM 444 CB ASP A 58 -13.009 4.657 9.997 1.00 0.00 C ATOM 445 CG ASP A 58 -11.982 4.642 11.130 1.00 0.00 C ATOM 446 OD1 ASP A 58 -10.799 4.633 10.831 1.00 0.00 O ATOM 447 OD2 ASP A 58 -12.396 4.640 12.278 1.00 0.00 O ATOM 0 H ASP A 58 -13.023 6.977 9.033 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.272 4.663 8.724 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -13.787 5.391 10.207 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.498 3.686 9.922 1.00 0.00 H new ATOM 452 N ALA A 59 -14.220 4.712 7.214 1.00 0.00 N ATOM 453 CA ALA A 59 -14.967 4.068 6.099 1.00 0.00 C ATOM 454 C ALA A 59 -14.290 4.413 4.771 1.00 0.00 C ATOM 455 O ALA A 59 -14.360 3.667 3.815 1.00 0.00 O ATOM 456 CB ALA A 59 -16.409 4.580 6.087 1.00 0.00 C ATOM 0 H ALA A 59 -14.710 5.474 7.683 1.00 0.00 H new ATOM 0 HA ALA A 59 -14.969 2.987 6.237 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -16.956 4.108 5.270 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -16.890 4.336 7.034 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -16.410 5.661 5.948 1.00 0.00 H new ATOM 462 N GLU A 60 -13.633 5.540 4.705 1.00 0.00 N ATOM 463 CA GLU A 60 -12.951 5.931 3.439 1.00 0.00 C ATOM 464 C GLU A 60 -11.741 5.022 3.212 1.00 0.00 C ATOM 465 O GLU A 60 -11.433 4.650 2.097 1.00 0.00 O ATOM 466 CB GLU A 60 -12.484 7.386 3.536 1.00 0.00 C ATOM 467 CG GLU A 60 -12.477 8.012 2.140 1.00 0.00 C ATOM 468 CD GLU A 60 -12.284 9.526 2.257 1.00 0.00 C ATOM 469 OE1 GLU A 60 -12.708 10.082 3.257 1.00 0.00 O ATOM 470 OE2 GLU A 60 -11.715 10.102 1.345 1.00 0.00 O ATOM 0 H GLU A 60 -13.540 6.205 5.472 1.00 0.00 H new ATOM 0 HA GLU A 60 -13.646 5.829 2.606 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -13.145 7.948 4.195 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.486 7.431 3.972 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.677 7.579 1.540 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -13.414 7.793 1.628 1.00 0.00 H new ATOM 477 N LEU A 61 -11.054 4.661 4.261 1.00 0.00 N ATOM 478 CA LEU A 61 -9.866 3.776 4.104 1.00 0.00 C ATOM 479 C LEU A 61 -10.317 2.398 3.617 1.00 0.00 C ATOM 480 O LEU A 61 -9.638 1.747 2.848 1.00 0.00 O ATOM 481 CB LEU A 61 -9.156 3.633 5.452 1.00 0.00 C ATOM 482 CG LEU A 61 -7.723 4.151 5.331 1.00 0.00 C ATOM 483 CD1 LEU A 61 -7.544 5.372 6.233 1.00 0.00 C ATOM 484 CD2 LEU A 61 -6.747 3.053 5.759 1.00 0.00 C ATOM 0 H LEU A 61 -11.264 4.941 5.219 1.00 0.00 H new ATOM 0 HA LEU A 61 -9.181 4.212 3.376 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -9.692 4.192 6.219 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -9.151 2.588 5.764 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.524 4.432 4.297 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.522 5.741 6.147 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.240 6.154 5.929 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.743 5.092 7.268 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.725 3.421 5.673 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.946 2.772 6.793 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.874 2.182 5.116 1.00 0.00 H new ATOM 496 N THR A 62 -11.458 1.948 4.061 1.00 0.00 N ATOM 497 CA THR A 62 -11.952 0.612 3.625 1.00 0.00 C ATOM 498 C THR A 62 -12.280 0.649 2.130 1.00 0.00 C ATOM 499 O THR A 62 -12.159 -0.339 1.433 1.00 0.00 O ATOM 500 CB THR A 62 -13.213 0.255 4.414 1.00 0.00 C ATOM 501 OG1 THR A 62 -13.066 0.687 5.760 1.00 0.00 O ATOM 502 CG2 THR A 62 -13.423 -1.259 4.383 1.00 0.00 C ATOM 0 H THR A 62 -12.069 2.448 4.707 1.00 0.00 H new ATOM 0 HA THR A 62 -11.182 -0.137 3.808 1.00 0.00 H new ATOM 0 HB THR A 62 -14.075 0.749 3.966 1.00 0.00 H new ATOM 0 HG1 THR A 62 -13.874 0.460 6.266 1.00 0.00 H new ATOM 0 HG21 THR A 62 -14.322 -1.513 4.945 1.00 0.00 H new ATOM 0 HG22 THR A 62 -13.535 -1.590 3.350 1.00 0.00 H new ATOM 0 HG23 THR A 62 -12.562 -1.755 4.831 1.00 0.00 H new ATOM 510 N LYS A 63 -12.695 1.782 1.633 1.00 0.00 N ATOM 511 CA LYS A 63 -13.031 1.880 0.185 1.00 0.00 C ATOM 512 C LYS A 63 -11.745 1.850 -0.644 1.00 0.00 C ATOM 513 O LYS A 63 -11.625 1.103 -1.594 1.00 0.00 O ATOM 514 CB LYS A 63 -13.780 3.189 -0.076 1.00 0.00 C ATOM 515 CG LYS A 63 -15.288 2.935 -0.010 1.00 0.00 C ATOM 516 CD LYS A 63 -16.041 4.225 -0.344 1.00 0.00 C ATOM 517 CE LYS A 63 -17.466 4.141 0.206 1.00 0.00 C ATOM 518 NZ LYS A 63 -18.215 5.375 -0.164 1.00 0.00 N ATOM 0 H LYS A 63 -12.816 2.643 2.167 1.00 0.00 H new ATOM 0 HA LYS A 63 -13.662 1.038 -0.099 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.494 3.938 0.663 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.510 3.586 -1.054 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.565 2.148 -0.711 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -15.565 2.587 0.985 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.524 5.082 0.086 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.065 4.376 -1.423 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -17.971 3.262 -0.195 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -17.443 4.028 1.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -19.184 5.318 0.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -17.736 6.206 0.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -18.248 5.464 -1.200 1.00 0.00 H new ATOM 532 N LEU A 64 -10.781 2.655 -0.290 1.00 0.00 N ATOM 533 CA LEU A 64 -9.502 2.672 -1.055 1.00 0.00 C ATOM 534 C LEU A 64 -8.920 1.257 -1.105 1.00 0.00 C ATOM 535 O LEU A 64 -8.538 0.769 -2.151 1.00 0.00 O ATOM 536 CB LEU A 64 -8.512 3.611 -0.362 1.00 0.00 C ATOM 537 CG LEU A 64 -7.482 4.113 -1.375 1.00 0.00 C ATOM 538 CD1 LEU A 64 -7.937 5.460 -1.941 1.00 0.00 C ATOM 539 CD2 LEU A 64 -6.129 4.285 -0.681 1.00 0.00 C ATOM 0 H LEU A 64 -10.824 3.303 0.497 1.00 0.00 H new ATOM 0 HA LEU A 64 -9.686 3.023 -2.071 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.044 4.454 0.079 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.010 3.089 0.453 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.388 3.391 -2.186 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.203 5.818 -2.663 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.902 5.340 -2.434 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.031 6.182 -1.130 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.393 4.643 -1.401 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.225 5.008 0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.804 3.327 -0.276 1.00 0.00 H new ATOM 551 N ALA A 65 -8.853 0.594 0.017 1.00 0.00 N ATOM 552 CA ALA A 65 -8.300 -0.790 0.034 1.00 0.00 C ATOM 553 C ALA A 65 -9.169 -1.695 -0.841 1.00 0.00 C ATOM 554 O ALA A 65 -8.681 -2.586 -1.506 1.00 0.00 O ATOM 555 CB ALA A 65 -8.298 -1.321 1.469 1.00 0.00 C ATOM 0 H ALA A 65 -9.157 0.951 0.923 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.280 -0.779 -0.351 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.894 -2.333 1.482 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -7.681 -0.676 2.095 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.318 -1.333 1.854 1.00 0.00 H new ATOM 561 N ALA A 66 -10.455 -1.474 -0.844 1.00 0.00 N ATOM 562 CA ALA A 66 -11.354 -2.324 -1.675 1.00 0.00 C ATOM 563 C ALA A 66 -10.956 -2.202 -3.148 1.00 0.00 C ATOM 564 O ALA A 66 -10.827 -3.186 -3.848 1.00 0.00 O ATOM 565 CB ALA A 66 -12.802 -1.865 -1.494 1.00 0.00 C ATOM 0 H ALA A 66 -10.922 -0.743 -0.308 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.263 -3.364 -1.361 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -13.459 -2.487 -2.102 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -13.084 -1.956 -0.445 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.896 -0.825 -1.806 1.00 0.00 H new ATOM 571 N GLU A 67 -10.762 -1.002 -3.625 1.00 0.00 N ATOM 572 CA GLU A 67 -10.375 -0.823 -5.053 1.00 0.00 C ATOM 573 C GLU A 67 -8.925 -1.273 -5.251 1.00 0.00 C ATOM 574 O GLU A 67 -8.500 -1.564 -6.352 1.00 0.00 O ATOM 575 CB GLU A 67 -10.517 0.651 -5.440 1.00 0.00 C ATOM 576 CG GLU A 67 -11.822 0.850 -6.217 1.00 0.00 C ATOM 577 CD GLU A 67 -11.958 2.317 -6.630 1.00 0.00 C ATOM 578 OE1 GLU A 67 -11.057 2.815 -7.284 1.00 0.00 O ATOM 579 OE2 GLU A 67 -12.964 2.917 -6.286 1.00 0.00 O ATOM 0 H GLU A 67 -10.855 -0.140 -3.088 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.027 -1.425 -5.685 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.514 1.275 -4.546 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.668 0.962 -6.048 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.832 0.211 -7.100 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.672 0.555 -5.601 1.00 0.00 H new ATOM 586 N LEU A 68 -8.163 -1.340 -4.192 1.00 0.00 N ATOM 587 CA LEU A 68 -6.744 -1.781 -4.319 1.00 0.00 C ATOM 588 C LEU A 68 -6.711 -3.275 -4.648 1.00 0.00 C ATOM 589 O LEU A 68 -6.265 -3.682 -5.703 1.00 0.00 O ATOM 590 CB LEU A 68 -6.014 -1.543 -2.996 1.00 0.00 C ATOM 591 CG LEU A 68 -5.528 -0.096 -2.923 1.00 0.00 C ATOM 592 CD1 LEU A 68 -5.447 0.338 -1.458 1.00 0.00 C ATOM 593 CD2 LEU A 68 -4.140 0.004 -3.562 1.00 0.00 C ATOM 0 H LEU A 68 -8.462 -1.108 -3.245 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.256 -1.215 -5.112 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.680 -1.755 -2.160 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.168 -2.225 -2.910 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.223 0.552 -3.457 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.100 1.370 -1.403 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.434 0.262 -1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.749 -0.308 -0.925 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.790 1.035 -3.512 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.445 -0.642 -3.025 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.196 -0.310 -4.604 1.00 0.00 H new ATOM 605 N LYS A 69 -7.188 -4.093 -3.749 1.00 0.00 N ATOM 606 CA LYS A 69 -7.194 -5.563 -3.997 1.00 0.00 C ATOM 607 C LYS A 69 -8.053 -5.874 -5.227 1.00 0.00 C ATOM 608 O LYS A 69 -8.032 -6.972 -5.747 1.00 0.00 O ATOM 609 CB LYS A 69 -7.773 -6.277 -2.773 1.00 0.00 C ATOM 610 CG LYS A 69 -9.171 -5.729 -2.480 1.00 0.00 C ATOM 611 CD LYS A 69 -10.141 -6.892 -2.260 1.00 0.00 C ATOM 612 CE LYS A 69 -11.345 -6.408 -1.449 1.00 0.00 C ATOM 613 NZ LYS A 69 -11.813 -7.504 -0.554 1.00 0.00 N ATOM 0 H LYS A 69 -7.575 -3.805 -2.850 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.175 -5.908 -4.175 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.822 -7.351 -2.954 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.124 -6.128 -1.910 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.145 -5.091 -1.596 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -9.512 -5.110 -3.310 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.472 -7.290 -3.219 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.638 -7.704 -1.735 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.072 -5.533 -0.859 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.149 -6.102 -2.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.631 -7.176 -0.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.089 -8.326 -1.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.045 -7.775 0.093 1.00 0.00 H new ATOM 627 N LYS A 70 -8.809 -4.917 -5.698 1.00 0.00 N ATOM 628 CA LYS A 70 -9.664 -5.166 -6.893 1.00 0.00 C ATOM 629 C LYS A 70 -8.772 -5.400 -8.116 1.00 0.00 C ATOM 630 O LYS A 70 -8.930 -6.369 -8.833 1.00 0.00 O ATOM 631 CB LYS A 70 -10.566 -3.952 -7.140 1.00 0.00 C ATOM 632 CG LYS A 70 -12.008 -4.421 -7.355 1.00 0.00 C ATOM 633 CD LYS A 70 -12.978 -3.301 -6.969 1.00 0.00 C ATOM 634 CE LYS A 70 -13.558 -2.665 -8.235 1.00 0.00 C ATOM 635 NZ LYS A 70 -14.576 -1.644 -7.858 1.00 0.00 N ATOM 0 H LYS A 70 -8.870 -3.977 -5.307 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.283 -6.046 -6.721 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.517 -3.271 -6.291 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.218 -3.399 -8.013 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.158 -4.702 -8.398 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.205 -5.309 -6.754 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.781 -3.699 -6.349 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.461 -2.547 -6.375 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -12.763 -2.202 -8.819 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.011 -3.431 -8.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -14.970 -1.212 -8.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.340 -2.098 -7.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.130 -0.908 -7.274 1.00 0.00 H new ATOM 649 N LYS A 71 -7.834 -4.523 -8.360 1.00 0.00 N ATOM 650 CA LYS A 71 -6.936 -4.699 -9.538 1.00 0.00 C ATOM 651 C LYS A 71 -5.516 -5.022 -9.062 1.00 0.00 C ATOM 652 O LYS A 71 -4.543 -4.668 -9.698 1.00 0.00 O ATOM 653 CB LYS A 71 -6.908 -3.407 -10.356 1.00 0.00 C ATOM 654 CG LYS A 71 -8.331 -3.023 -10.761 1.00 0.00 C ATOM 655 CD LYS A 71 -8.586 -1.561 -10.389 1.00 0.00 C ATOM 656 CE LYS A 71 -10.087 -1.340 -10.193 1.00 0.00 C ATOM 657 NZ LYS A 71 -10.570 -0.301 -11.146 1.00 0.00 N ATOM 0 H LYS A 71 -7.651 -3.694 -7.795 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.309 -5.517 -10.154 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.457 -2.605 -9.772 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.290 -3.541 -11.244 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.467 -3.167 -11.833 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.051 -3.669 -10.259 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.048 -1.308 -9.476 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.210 -0.904 -11.173 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.626 -2.274 -10.354 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.288 -1.029 -9.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -11.590 -0.153 -11.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.065 0.591 -10.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.392 -0.615 -12.121 1.00 0.00 H new ATOM 671 N CYS A 72 -5.387 -5.689 -7.948 1.00 0.00 N ATOM 672 CA CYS A 72 -4.029 -6.028 -7.436 1.00 0.00 C ATOM 673 C CYS A 72 -3.660 -7.451 -7.859 1.00 0.00 C ATOM 674 O CYS A 72 -2.522 -7.864 -7.753 1.00 0.00 O ATOM 675 CB CYS A 72 -4.018 -5.931 -5.910 1.00 0.00 C ATOM 676 SG CYS A 72 -2.393 -6.428 -5.288 1.00 0.00 S ATOM 0 H CYS A 72 -6.163 -6.014 -7.371 1.00 0.00 H new ATOM 0 HA CYS A 72 -3.303 -5.328 -7.850 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -4.243 -4.911 -5.598 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -4.793 -6.572 -5.488 1.00 0.00 H new ATOM 0 HG CYS A 72 -1.837 -7.246 -6.132 1.00 0.00 H new ATOM 682 N GLY A 73 -4.608 -8.204 -8.342 1.00 0.00 N ATOM 683 CA GLY A 73 -4.304 -9.597 -8.777 1.00 0.00 C ATOM 684 C GLY A 73 -4.504 -10.568 -7.610 1.00 0.00 C ATOM 685 O GLY A 73 -4.891 -11.704 -7.800 1.00 0.00 O ATOM 0 H GLY A 73 -5.580 -7.916 -8.455 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -4.952 -9.876 -9.608 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.278 -9.658 -9.139 1.00 0.00 H new ATOM 689 N CYS A 74 -4.241 -10.140 -6.404 1.00 0.00 N ATOM 690 CA CYS A 74 -4.417 -11.056 -5.239 1.00 0.00 C ATOM 691 C CYS A 74 -4.025 -10.326 -3.949 1.00 0.00 C ATOM 692 O CYS A 74 -2.872 -10.010 -3.730 1.00 0.00 O ATOM 693 CB CYS A 74 -3.528 -12.288 -5.431 1.00 0.00 C ATOM 694 SG CYS A 74 -3.443 -13.234 -3.887 1.00 0.00 S ATOM 0 H CYS A 74 -3.914 -9.201 -6.176 1.00 0.00 H new ATOM 0 HA CYS A 74 -5.459 -11.368 -5.168 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -3.926 -12.914 -6.230 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -2.527 -11.981 -5.735 1.00 0.00 H new ATOM 0 HG CYS A 74 -2.688 -14.278 -4.059 1.00 0.00 H new ATOM 700 N GLY A 75 -4.977 -10.055 -3.095 1.00 0.00 N ATOM 701 CA GLY A 75 -4.662 -9.342 -1.822 1.00 0.00 C ATOM 702 C GLY A 75 -4.369 -10.356 -0.711 1.00 0.00 C ATOM 703 O GLY A 75 -3.883 -11.442 -0.962 1.00 0.00 O ATOM 0 H GLY A 75 -5.959 -10.297 -3.224 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.801 -8.688 -1.965 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.500 -8.707 -1.534 1.00 0.00 H new ATOM 707 N GLY A 76 -4.657 -10.009 0.518 1.00 0.00 N ATOM 708 CA GLY A 76 -4.389 -10.953 1.643 1.00 0.00 C ATOM 709 C GLY A 76 -5.266 -10.602 2.851 1.00 0.00 C ATOM 710 O GLY A 76 -6.310 -11.188 3.061 1.00 0.00 O ATOM 0 H GLY A 76 -5.065 -9.115 0.790 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -4.589 -11.976 1.324 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.337 -10.907 1.923 1.00 0.00 H new ATOM 714 N ALA A 77 -4.848 -9.659 3.655 1.00 0.00 N ATOM 715 CA ALA A 77 -5.658 -9.285 4.854 1.00 0.00 C ATOM 716 C ALA A 77 -6.187 -7.858 4.699 1.00 0.00 C ATOM 717 O ALA A 77 -5.431 -6.911 4.616 1.00 0.00 O ATOM 718 CB ALA A 77 -4.785 -9.360 6.108 1.00 0.00 C ATOM 0 H ALA A 77 -3.983 -9.132 3.534 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.495 -9.977 4.946 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.378 -9.087 6.981 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.408 -10.376 6.229 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.946 -8.671 6.009 1.00 0.00 H new ATOM 724 N VAL A 78 -7.481 -7.696 4.666 1.00 0.00 N ATOM 725 CA VAL A 78 -8.056 -6.329 4.522 1.00 0.00 C ATOM 726 C VAL A 78 -8.721 -5.907 5.835 1.00 0.00 C ATOM 727 O VAL A 78 -9.638 -6.546 6.312 1.00 0.00 O ATOM 728 CB VAL A 78 -9.097 -6.329 3.402 1.00 0.00 C ATOM 729 CG1 VAL A 78 -9.712 -4.934 3.279 1.00 0.00 C ATOM 730 CG2 VAL A 78 -8.422 -6.706 2.082 1.00 0.00 C ATOM 0 H VAL A 78 -8.164 -8.450 4.732 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.258 -5.627 4.279 1.00 0.00 H new ATOM 0 HB VAL A 78 -9.879 -7.052 3.631 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.454 -4.933 2.481 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.191 -4.663 4.220 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -8.930 -4.211 3.048 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -9.162 -6.707 1.282 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.641 -5.981 1.853 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.981 -7.699 2.169 1.00 0.00 H new ATOM 740 N LYS A 79 -8.267 -4.833 6.420 1.00 0.00 N ATOM 741 CA LYS A 79 -8.872 -4.365 7.699 1.00 0.00 C ATOM 742 C LYS A 79 -8.659 -2.857 7.835 1.00 0.00 C ATOM 743 O LYS A 79 -7.690 -2.312 7.346 1.00 0.00 O ATOM 744 CB LYS A 79 -8.202 -5.080 8.875 1.00 0.00 C ATOM 745 CG LYS A 79 -9.180 -6.083 9.491 1.00 0.00 C ATOM 746 CD LYS A 79 -8.687 -6.486 10.882 1.00 0.00 C ATOM 747 CE LYS A 79 -7.553 -7.503 10.744 1.00 0.00 C ATOM 748 NZ LYS A 79 -6.491 -7.205 11.747 1.00 0.00 N ATOM 0 H LYS A 79 -7.502 -4.258 6.067 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.939 -4.588 7.700 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.303 -5.595 8.536 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -7.890 -4.354 9.625 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.175 -5.643 9.559 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.264 -6.963 8.854 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -8.338 -5.608 11.425 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -9.506 -6.914 11.460 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -7.936 -8.513 10.893 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -7.137 -7.465 9.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -5.720 -7.897 11.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -6.119 -6.248 11.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -6.892 -7.262 12.705 1.00 0.00 H new ATOM 762 N ASP A 80 -9.555 -2.176 8.495 1.00 0.00 N ATOM 763 CA ASP A 80 -9.395 -0.703 8.659 1.00 0.00 C ATOM 764 C ASP A 80 -8.237 -0.418 9.618 1.00 0.00 C ATOM 765 O ASP A 80 -8.399 -0.441 10.822 1.00 0.00 O ATOM 766 CB ASP A 80 -10.684 -0.110 9.233 1.00 0.00 C ATOM 767 CG ASP A 80 -10.543 1.409 9.344 1.00 0.00 C ATOM 768 OD1 ASP A 80 -9.486 1.912 8.998 1.00 0.00 O ATOM 769 OD2 ASP A 80 -11.492 2.044 9.775 1.00 0.00 O ATOM 0 H ASP A 80 -10.389 -2.574 8.927 1.00 0.00 H new ATOM 0 HA ASP A 80 -9.185 -0.252 7.689 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.529 -0.361 8.592 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -10.889 -0.539 10.214 1.00 0.00 H new ATOM 774 N GLY A 81 -7.069 -0.146 9.099 1.00 0.00 N ATOM 775 CA GLY A 81 -5.910 0.143 9.991 1.00 0.00 C ATOM 776 C GLY A 81 -4.742 -0.787 9.650 1.00 0.00 C ATOM 777 O GLY A 81 -3.632 -0.596 10.105 1.00 0.00 O ATOM 0 H GLY A 81 -6.868 -0.112 8.099 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.603 1.183 9.877 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.200 0.009 11.033 1.00 0.00 H new ATOM 781 N VAL A 82 -4.979 -1.793 8.853 1.00 0.00 N ATOM 782 CA VAL A 82 -3.877 -2.729 8.488 1.00 0.00 C ATOM 783 C VAL A 82 -4.217 -3.425 7.168 1.00 0.00 C ATOM 784 O VAL A 82 -5.089 -4.269 7.106 1.00 0.00 O ATOM 785 CB VAL A 82 -3.710 -3.779 9.589 1.00 0.00 C ATOM 786 CG1 VAL A 82 -2.744 -4.866 9.114 1.00 0.00 C ATOM 787 CG2 VAL A 82 -3.147 -3.114 10.848 1.00 0.00 C ATOM 0 H VAL A 82 -5.886 -2.007 8.439 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.948 -2.170 8.377 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.679 -4.225 9.815 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.624 -5.614 9.898 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.142 -5.340 8.217 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.776 -4.419 8.888 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.028 -3.862 11.632 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.178 -2.668 10.622 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.833 -2.338 11.188 1.00 0.00 H new ATOM 797 N ILE A 83 -3.536 -3.077 6.110 1.00 0.00 N ATOM 798 CA ILE A 83 -3.824 -3.718 4.797 1.00 0.00 C ATOM 799 C ILE A 83 -2.576 -4.453 4.302 1.00 0.00 C ATOM 800 O ILE A 83 -1.626 -3.847 3.847 1.00 0.00 O ATOM 801 CB ILE A 83 -4.223 -2.645 3.783 1.00 0.00 C ATOM 802 CG1 ILE A 83 -5.392 -1.827 4.340 1.00 0.00 C ATOM 803 CG2 ILE A 83 -4.647 -3.313 2.474 1.00 0.00 C ATOM 804 CD1 ILE A 83 -5.113 -0.335 4.143 1.00 0.00 C ATOM 0 H ILE A 83 -2.794 -2.377 6.099 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.641 -4.430 4.911 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.374 -1.987 3.597 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -6.317 -2.104 3.834 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.530 -2.045 5.399 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.932 -2.549 1.751 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -3.816 -3.896 2.077 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -5.496 -3.971 2.660 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -5.945 0.246 4.540 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -4.198 -0.063 4.669 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.997 -0.124 3.080 1.00 0.00 H new ATOM 816 N GLU A 84 -2.570 -5.755 4.391 1.00 0.00 N ATOM 817 CA GLU A 84 -1.384 -6.529 3.928 1.00 0.00 C ATOM 818 C GLU A 84 -1.583 -6.951 2.471 1.00 0.00 C ATOM 819 O GLU A 84 -2.430 -7.764 2.159 1.00 0.00 O ATOM 820 CB GLU A 84 -1.218 -7.776 4.799 1.00 0.00 C ATOM 821 CG GLU A 84 0.240 -8.240 4.756 1.00 0.00 C ATOM 822 CD GLU A 84 0.359 -9.616 5.415 1.00 0.00 C ATOM 823 OE1 GLU A 84 -0.668 -10.229 5.650 1.00 0.00 O ATOM 824 OE2 GLU A 84 1.477 -10.032 5.673 1.00 0.00 O ATOM 0 H GLU A 84 -3.336 -6.316 4.764 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.493 -5.906 4.007 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.511 -7.557 5.826 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.874 -8.571 4.443 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.587 -8.288 3.724 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.876 -7.522 5.273 1.00 0.00 H new ATOM 831 N ILE A 85 -0.804 -6.407 1.575 1.00 0.00 N ATOM 832 CA ILE A 85 -0.946 -6.781 0.139 1.00 0.00 C ATOM 833 C ILE A 85 0.120 -7.820 -0.221 1.00 0.00 C ATOM 834 O ILE A 85 1.213 -7.486 -0.631 1.00 0.00 O ATOM 835 CB ILE A 85 -0.762 -5.537 -0.732 1.00 0.00 C ATOM 836 CG1 ILE A 85 -1.808 -4.487 -0.350 1.00 0.00 C ATOM 837 CG2 ILE A 85 -0.936 -5.913 -2.204 1.00 0.00 C ATOM 838 CD1 ILE A 85 -3.210 -5.047 -0.602 1.00 0.00 C ATOM 0 H ILE A 85 -0.076 -5.721 1.775 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.937 -7.200 -0.034 1.00 0.00 H new ATOM 0 HB ILE A 85 0.237 -5.131 -0.576 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -1.697 -4.213 0.699 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -1.657 -3.579 -0.934 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.805 -5.026 -2.824 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.192 -6.661 -2.479 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.935 -6.320 -2.360 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.955 -4.299 -0.330 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.317 -5.299 -1.657 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -3.358 -5.943 0.001 1.00 0.00 H new ATOM 850 N GLN A 86 -0.190 -9.080 -0.068 1.00 0.00 N ATOM 851 CA GLN A 86 0.807 -10.137 -0.400 1.00 0.00 C ATOM 852 C GLN A 86 1.193 -10.031 -1.877 1.00 0.00 C ATOM 853 O GLN A 86 0.442 -10.412 -2.752 1.00 0.00 O ATOM 854 CB GLN A 86 0.199 -11.516 -0.132 1.00 0.00 C ATOM 855 CG GLN A 86 0.098 -11.747 1.378 1.00 0.00 C ATOM 856 CD GLN A 86 -0.278 -13.206 1.648 1.00 0.00 C ATOM 857 OE1 GLN A 86 -0.371 -14.000 0.734 1.00 0.00 O ATOM 858 NE2 GLN A 86 -0.498 -13.595 2.875 1.00 0.00 N ATOM 0 H GLN A 86 -1.089 -9.422 0.272 1.00 0.00 H new ATOM 0 HA GLN A 86 1.694 -10.003 0.219 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -0.789 -11.584 -0.588 1.00 0.00 H new ATOM 0 HB3 GLN A 86 0.815 -12.291 -0.588 1.00 0.00 H new ATOM 0 HG2 GLN A 86 1.048 -11.511 1.857 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -0.650 -11.082 1.809 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -0.420 -12.928 3.643 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -0.748 -14.565 3.065 1.00 0.00 H new ATOM 867 N GLY A 87 2.359 -9.517 -2.161 1.00 0.00 N ATOM 868 CA GLY A 87 2.790 -9.390 -3.582 1.00 0.00 C ATOM 869 C GLY A 87 3.845 -8.288 -3.699 1.00 0.00 C ATOM 870 O GLY A 87 3.875 -7.358 -2.918 1.00 0.00 O ATOM 0 H GLY A 87 3.031 -9.180 -1.471 1.00 0.00 H new ATOM 0 HA2 GLY A 87 3.197 -10.337 -3.936 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.933 -9.156 -4.214 1.00 0.00 H new ATOM 874 N ASP A 88 4.713 -8.387 -4.669 1.00 0.00 N ATOM 875 CA ASP A 88 5.767 -7.348 -4.836 1.00 0.00 C ATOM 876 C ASP A 88 5.509 -6.560 -6.123 1.00 0.00 C ATOM 877 O ASP A 88 5.881 -6.978 -7.202 1.00 0.00 O ATOM 878 CB ASP A 88 7.137 -8.024 -4.916 1.00 0.00 C ATOM 879 CG ASP A 88 8.221 -6.964 -5.119 1.00 0.00 C ATOM 880 OD1 ASP A 88 7.936 -5.801 -4.885 1.00 0.00 O ATOM 881 OD2 ASP A 88 9.318 -7.333 -5.504 1.00 0.00 O ATOM 0 H ASP A 88 4.737 -9.143 -5.353 1.00 0.00 H new ATOM 0 HA ASP A 88 5.746 -6.667 -3.985 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.330 -8.586 -4.002 1.00 0.00 H new ATOM 0 HB3 ASP A 88 7.154 -8.738 -5.739 1.00 0.00 H new ATOM 886 N LYS A 89 4.874 -5.424 -6.018 1.00 0.00 N ATOM 887 CA LYS A 89 4.592 -4.611 -7.236 1.00 0.00 C ATOM 888 C LYS A 89 4.772 -3.126 -6.912 1.00 0.00 C ATOM 889 O LYS A 89 3.930 -2.306 -7.223 1.00 0.00 O ATOM 890 CB LYS A 89 3.153 -4.861 -7.694 1.00 0.00 C ATOM 891 CG LYS A 89 3.148 -5.884 -8.831 1.00 0.00 C ATOM 892 CD LYS A 89 1.762 -5.924 -9.476 1.00 0.00 C ATOM 893 CE LYS A 89 1.700 -7.071 -10.485 1.00 0.00 C ATOM 894 NZ LYS A 89 0.999 -6.612 -11.718 1.00 0.00 N ATOM 0 H LYS A 89 4.538 -5.024 -5.142 1.00 0.00 H new ATOM 0 HA LYS A 89 5.282 -4.896 -8.030 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.553 -5.226 -6.860 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.700 -3.928 -8.029 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.899 -5.620 -9.575 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.411 -6.870 -8.448 1.00 0.00 H new ATOM 0 HD2 LYS A 89 0.997 -6.057 -8.711 1.00 0.00 H new ATOM 0 HD3 LYS A 89 1.554 -4.977 -9.973 1.00 0.00 H new ATOM 0 HE2 LYS A 89 2.707 -7.408 -10.731 1.00 0.00 H new ATOM 0 HE3 LYS A 89 1.176 -7.923 -10.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 0.957 -7.392 -12.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 0.033 -6.311 -11.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 1.517 -5.812 -12.135 1.00 0.00 H new ATOM 908 N ARG A 90 5.862 -2.773 -6.288 1.00 0.00 N ATOM 909 CA ARG A 90 6.096 -1.342 -5.944 1.00 0.00 C ATOM 910 C ARG A 90 5.858 -0.470 -7.179 1.00 0.00 C ATOM 911 O ARG A 90 5.427 0.662 -7.077 1.00 0.00 O ATOM 912 CB ARG A 90 7.538 -1.163 -5.465 1.00 0.00 C ATOM 913 CG ARG A 90 8.499 -1.493 -6.609 1.00 0.00 C ATOM 914 CD ARG A 90 9.935 -1.211 -6.166 1.00 0.00 C ATOM 915 NE ARG A 90 10.866 -1.471 -7.301 1.00 0.00 N ATOM 916 CZ ARG A 90 12.156 -1.433 -7.109 1.00 0.00 C ATOM 917 NH1 ARG A 90 12.672 -1.974 -6.040 1.00 0.00 N ATOM 918 NH2 ARG A 90 12.931 -0.856 -7.987 1.00 0.00 N ATOM 0 H ARG A 90 6.601 -3.414 -6.001 1.00 0.00 H new ATOM 0 HA ARG A 90 5.408 -1.043 -5.153 1.00 0.00 H new ATOM 0 HB2 ARG A 90 7.696 -0.139 -5.127 1.00 0.00 H new ATOM 0 HB3 ARG A 90 7.733 -1.814 -4.613 1.00 0.00 H new ATOM 0 HG2 ARG A 90 8.394 -2.539 -6.896 1.00 0.00 H new ATOM 0 HG3 ARG A 90 8.254 -0.896 -7.487 1.00 0.00 H new ATOM 0 HD2 ARG A 90 10.028 -0.177 -5.835 1.00 0.00 H new ATOM 0 HD3 ARG A 90 10.195 -1.842 -5.316 1.00 0.00 H new ATOM 0 HE ARG A 90 10.494 -1.679 -8.228 1.00 0.00 H new ATOM 0 HH11 ARG A 90 12.067 -2.427 -5.355 1.00 0.00 H new ATOM 0 HH12 ARG A 90 13.680 -1.945 -5.890 1.00 0.00 H new ATOM 0 HH21 ARG A 90 12.528 -0.434 -8.824 1.00 0.00 H new ATOM 0 HH22 ARG A 90 13.939 -0.827 -7.836 1.00 0.00 H new ATOM 932 N ASP A 91 6.136 -0.985 -8.344 1.00 0.00 N ATOM 933 CA ASP A 91 5.927 -0.182 -9.582 1.00 0.00 C ATOM 934 C ASP A 91 4.444 0.164 -9.724 1.00 0.00 C ATOM 935 O ASP A 91 4.066 1.319 -9.748 1.00 0.00 O ATOM 936 CB ASP A 91 6.381 -0.992 -10.799 1.00 0.00 C ATOM 937 CG ASP A 91 6.230 -0.142 -12.061 1.00 0.00 C ATOM 938 OD1 ASP A 91 5.658 0.931 -11.964 1.00 0.00 O ATOM 939 OD2 ASP A 91 6.689 -0.578 -13.104 1.00 0.00 O ATOM 0 H ASP A 91 6.499 -1.927 -8.493 1.00 0.00 H new ATOM 0 HA ASP A 91 6.509 0.737 -9.520 1.00 0.00 H new ATOM 0 HB2 ASP A 91 7.419 -1.301 -10.677 1.00 0.00 H new ATOM 0 HB3 ASP A 91 5.786 -1.901 -10.887 1.00 0.00 H new ATOM 944 N LEU A 92 3.598 -0.826 -9.819 1.00 0.00 N ATOM 945 CA LEU A 92 2.141 -0.548 -9.959 1.00 0.00 C ATOM 946 C LEU A 92 1.660 0.257 -8.750 1.00 0.00 C ATOM 947 O LEU A 92 0.658 0.942 -8.807 1.00 0.00 O ATOM 948 CB LEU A 92 1.374 -1.870 -10.030 1.00 0.00 C ATOM 949 CG LEU A 92 -0.086 -1.596 -10.394 1.00 0.00 C ATOM 950 CD1 LEU A 92 -0.338 -2.008 -11.845 1.00 0.00 C ATOM 951 CD2 LEU A 92 -1.001 -2.403 -9.470 1.00 0.00 C ATOM 0 H LEU A 92 3.853 -1.814 -9.806 1.00 0.00 H new ATOM 0 HA LEU A 92 1.964 0.023 -10.871 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.828 -2.526 -10.773 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.430 -2.387 -9.072 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.295 -0.533 -10.277 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.379 -1.812 -12.103 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.314 -1.435 -12.504 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.129 -3.071 -11.963 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.042 -2.209 -9.728 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.790 -3.466 -9.587 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.823 -2.110 -8.435 1.00 0.00 H new ATOM 963 N LEU A 93 2.367 0.180 -7.657 1.00 0.00 N ATOM 964 CA LEU A 93 1.953 0.940 -6.445 1.00 0.00 C ATOM 965 C LEU A 93 2.147 2.437 -6.691 1.00 0.00 C ATOM 966 O LEU A 93 1.282 3.241 -6.402 1.00 0.00 O ATOM 967 CB LEU A 93 2.807 0.503 -5.253 1.00 0.00 C ATOM 968 CG LEU A 93 2.340 -0.870 -4.768 1.00 0.00 C ATOM 969 CD1 LEU A 93 3.433 -1.509 -3.910 1.00 0.00 C ATOM 970 CD2 LEU A 93 1.067 -0.708 -3.935 1.00 0.00 C ATOM 0 H LEU A 93 3.215 -0.377 -7.551 1.00 0.00 H new ATOM 0 HA LEU A 93 0.903 0.741 -6.232 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.858 0.461 -5.540 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.726 1.232 -4.447 1.00 0.00 H new ATOM 0 HG LEU A 93 2.135 -1.509 -5.627 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.099 -2.488 -3.565 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.341 -1.624 -4.503 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.639 -0.872 -3.050 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.732 -1.686 -3.588 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.273 -0.069 -3.076 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.287 -0.253 -4.546 1.00 0.00 H new ATOM 982 N LYS A 94 3.275 2.820 -7.225 1.00 0.00 N ATOM 983 CA LYS A 94 3.521 4.265 -7.489 1.00 0.00 C ATOM 984 C LYS A 94 2.483 4.785 -8.485 1.00 0.00 C ATOM 985 O LYS A 94 2.169 5.958 -8.515 1.00 0.00 O ATOM 986 CB LYS A 94 4.923 4.447 -8.073 1.00 0.00 C ATOM 987 CG LYS A 94 5.367 5.899 -7.892 1.00 0.00 C ATOM 988 CD LYS A 94 6.792 6.071 -8.420 1.00 0.00 C ATOM 989 CE LYS A 94 7.258 7.507 -8.173 1.00 0.00 C ATOM 990 NZ LYS A 94 8.658 7.667 -8.658 1.00 0.00 N ATOM 0 H LYS A 94 4.036 2.194 -7.489 1.00 0.00 H new ATOM 0 HA LYS A 94 3.442 4.823 -6.556 1.00 0.00 H new ATOM 0 HB2 LYS A 94 5.625 3.777 -7.577 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.925 4.184 -9.131 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.689 6.566 -8.424 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.323 6.174 -6.838 1.00 0.00 H new ATOM 0 HD2 LYS A 94 7.462 5.369 -7.923 1.00 0.00 H new ATOM 0 HD3 LYS A 94 6.826 5.845 -9.486 1.00 0.00 H new ATOM 0 HE2 LYS A 94 6.601 8.207 -8.689 1.00 0.00 H new ATOM 0 HE3 LYS A 94 7.201 7.741 -7.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.974 8.643 -8.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 9.280 7.009 -8.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 8.698 7.461 -9.677 1.00 0.00 H new ATOM 1004 N SER A 95 1.947 3.920 -9.302 1.00 0.00 N ATOM 1005 CA SER A 95 0.930 4.363 -10.297 1.00 0.00 C ATOM 1006 C SER A 95 -0.409 4.594 -9.593 1.00 0.00 C ATOM 1007 O SER A 95 -0.939 5.687 -9.590 1.00 0.00 O ATOM 1008 CB SER A 95 0.763 3.285 -11.369 1.00 0.00 C ATOM 1009 OG SER A 95 0.044 3.825 -12.470 1.00 0.00 O ATOM 0 H SER A 95 2.170 2.925 -9.323 1.00 0.00 H new ATOM 0 HA SER A 95 1.259 5.292 -10.763 1.00 0.00 H new ATOM 0 HB2 SER A 95 1.739 2.928 -11.697 1.00 0.00 H new ATOM 0 HB3 SER A 95 0.231 2.427 -10.958 1.00 0.00 H new ATOM 0 HG SER A 95 -0.063 3.137 -13.160 1.00 0.00 H new ATOM 1015 N LEU A 96 -0.960 3.573 -8.996 1.00 0.00 N ATOM 1016 CA LEU A 96 -2.265 3.735 -8.294 1.00 0.00 C ATOM 1017 C LEU A 96 -2.173 4.899 -7.305 1.00 0.00 C ATOM 1018 O LEU A 96 -3.150 5.563 -7.021 1.00 0.00 O ATOM 1019 CB LEU A 96 -2.599 2.448 -7.537 1.00 0.00 C ATOM 1020 CG LEU A 96 -1.435 2.082 -6.615 1.00 0.00 C ATOM 1021 CD1 LEU A 96 -1.540 2.885 -5.317 1.00 0.00 C ATOM 1022 CD2 LEU A 96 -1.492 0.586 -6.295 1.00 0.00 C ATOM 0 H LEU A 96 -0.563 2.634 -8.964 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.047 3.941 -9.025 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.510 2.582 -6.954 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -2.788 1.638 -8.241 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.492 2.314 -7.110 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.710 2.624 -4.660 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.502 3.950 -5.544 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.483 2.653 -4.821 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.663 0.323 -5.638 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.435 0.356 -5.800 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.418 0.013 -7.219 1.00 0.00 H new ATOM 1034 N LEU A 97 -1.006 5.152 -6.777 1.00 0.00 N ATOM 1035 CA LEU A 97 -0.855 6.272 -5.807 1.00 0.00 C ATOM 1036 C LEU A 97 -0.947 7.607 -6.550 1.00 0.00 C ATOM 1037 O LEU A 97 -1.666 8.501 -6.152 1.00 0.00 O ATOM 1038 CB LEU A 97 0.505 6.167 -5.113 1.00 0.00 C ATOM 1039 CG LEU A 97 0.379 6.645 -3.666 1.00 0.00 C ATOM 1040 CD1 LEU A 97 -0.146 8.082 -3.645 1.00 0.00 C ATOM 1041 CD2 LEU A 97 -0.596 5.737 -2.914 1.00 0.00 C ATOM 0 H LEU A 97 -0.152 4.631 -6.976 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.648 6.216 -5.062 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.858 5.136 -5.137 1.00 0.00 H new ATOM 0 HB3 LEU A 97 1.243 6.769 -5.643 1.00 0.00 H new ATOM 0 HG LEU A 97 1.357 6.609 -3.186 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.235 8.422 -2.613 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.547 8.730 -4.182 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.124 8.119 -4.125 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.687 6.076 -1.882 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.573 5.774 -3.396 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.223 4.713 -2.928 1.00 0.00 H new ATOM 1053 N GLU A 98 -0.223 7.749 -7.627 1.00 0.00 N ATOM 1054 CA GLU A 98 -0.271 9.026 -8.393 1.00 0.00 C ATOM 1055 C GLU A 98 -1.642 9.172 -9.055 1.00 0.00 C ATOM 1056 O GLU A 98 -2.000 10.228 -9.539 1.00 0.00 O ATOM 1057 CB GLU A 98 0.816 9.015 -9.470 1.00 0.00 C ATOM 1058 CG GLU A 98 1.783 10.176 -9.233 1.00 0.00 C ATOM 1059 CD GLU A 98 2.753 10.282 -10.411 1.00 0.00 C ATOM 1060 OE1 GLU A 98 2.596 9.521 -11.352 1.00 0.00 O ATOM 1061 OE2 GLU A 98 3.635 11.123 -10.353 1.00 0.00 O ATOM 0 H GLU A 98 0.399 7.036 -8.009 1.00 0.00 H new ATOM 0 HA GLU A 98 -0.104 9.863 -7.715 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.356 8.068 -9.447 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.364 9.100 -10.458 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.228 11.108 -9.120 1.00 0.00 H new ATOM 0 HG3 GLU A 98 2.335 10.020 -8.306 1.00 0.00 H new ATOM 1068 N ALA A 99 -2.414 8.120 -9.080 1.00 0.00 N ATOM 1069 CA ALA A 99 -3.762 8.198 -9.710 1.00 0.00 C ATOM 1070 C ALA A 99 -4.618 9.219 -8.958 1.00 0.00 C ATOM 1071 O ALA A 99 -5.448 9.893 -9.536 1.00 0.00 O ATOM 1072 CB ALA A 99 -4.434 6.825 -9.648 1.00 0.00 C ATOM 0 H ALA A 99 -2.169 7.209 -8.691 1.00 0.00 H new ATOM 0 HA ALA A 99 -3.660 8.506 -10.751 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -5.420 6.881 -10.109 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -3.824 6.097 -10.183 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.537 6.517 -8.608 1.00 0.00 H new ATOM 1078 N LYS A 100 -4.424 9.340 -7.674 1.00 0.00 N ATOM 1079 CA LYS A 100 -5.227 10.318 -6.887 1.00 0.00 C ATOM 1080 C LYS A 100 -4.562 11.694 -6.952 1.00 0.00 C ATOM 1081 O LYS A 100 -5.194 12.710 -6.743 1.00 0.00 O ATOM 1082 CB LYS A 100 -5.307 9.857 -5.430 1.00 0.00 C ATOM 1083 CG LYS A 100 -6.341 8.736 -5.304 1.00 0.00 C ATOM 1084 CD LYS A 100 -5.767 7.444 -5.888 1.00 0.00 C ATOM 1085 CE LYS A 100 -6.253 6.251 -5.063 1.00 0.00 C ATOM 1086 NZ LYS A 100 -5.108 5.671 -4.305 1.00 0.00 N ATOM 0 H LYS A 100 -3.744 8.804 -7.135 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.232 10.381 -7.303 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.331 9.505 -5.095 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.582 10.694 -4.788 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.607 8.588 -4.257 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.256 9.010 -5.829 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.078 7.332 -6.927 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.678 7.483 -5.884 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.036 6.567 -4.374 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -6.689 5.496 -5.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -5.395 4.766 -3.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.309 5.512 -4.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -4.820 6.330 -3.554 1.00 0.00 H new ATOM 1100 N GLY A 101 -3.290 11.735 -7.240 1.00 0.00 N ATOM 1101 CA GLY A 101 -2.586 13.046 -7.318 1.00 0.00 C ATOM 1102 C GLY A 101 -2.289 13.552 -5.905 1.00 0.00 C ATOM 1103 O GLY A 101 -2.139 14.736 -5.678 1.00 0.00 O ATOM 0 H GLY A 101 -2.708 10.918 -7.425 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -1.658 12.939 -7.880 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -3.201 13.770 -7.853 1.00 0.00 H new ATOM 1107 N MET A 102 -2.203 12.664 -4.953 1.00 0.00 N ATOM 1108 CA MET A 102 -1.916 13.095 -3.556 1.00 0.00 C ATOM 1109 C MET A 102 -0.429 12.896 -3.256 1.00 0.00 C ATOM 1110 O MET A 102 0.390 12.819 -4.151 1.00 0.00 O ATOM 1111 CB MET A 102 -2.748 12.257 -2.582 1.00 0.00 C ATOM 1112 CG MET A 102 -2.307 10.795 -2.660 1.00 0.00 C ATOM 1113 SD MET A 102 -3.751 9.718 -2.482 1.00 0.00 S ATOM 1114 CE MET A 102 -3.184 8.818 -1.018 1.00 0.00 C ATOM 0 H MET A 102 -2.319 11.659 -5.082 1.00 0.00 H new ATOM 0 HA MET A 102 -2.173 14.148 -3.441 1.00 0.00 H new ATOM 0 HB2 MET A 102 -2.624 12.631 -1.566 1.00 0.00 H new ATOM 0 HB3 MET A 102 -3.807 12.342 -2.826 1.00 0.00 H new ATOM 0 HG2 MET A 102 -1.813 10.604 -3.612 1.00 0.00 H new ATOM 0 HG3 MET A 102 -1.581 10.581 -1.875 1.00 0.00 H new ATOM 0 HE1 MET A 102 -3.251 7.746 -1.202 1.00 0.00 H new ATOM 0 HE2 MET A 102 -2.149 9.086 -0.804 1.00 0.00 H new ATOM 0 HE3 MET A 102 -3.810 9.080 -0.165 1.00 0.00 H new ATOM 1124 N LYS A 103 -0.072 12.812 -2.004 1.00 0.00 N ATOM 1125 CA LYS A 103 1.362 12.618 -1.649 1.00 0.00 C ATOM 1126 C LYS A 103 1.592 11.165 -1.230 1.00 0.00 C ATOM 1127 O LYS A 103 0.662 10.432 -0.960 1.00 0.00 O ATOM 1128 CB LYS A 103 1.731 13.547 -0.490 1.00 0.00 C ATOM 1129 CG LYS A 103 2.269 14.867 -1.045 1.00 0.00 C ATOM 1130 CD LYS A 103 2.385 15.889 0.088 1.00 0.00 C ATOM 1131 CE LYS A 103 3.210 17.087 -0.387 1.00 0.00 C ATOM 1132 NZ LYS A 103 2.615 18.343 0.149 1.00 0.00 N ATOM 0 H LYS A 103 -0.711 12.869 -1.211 1.00 0.00 H new ATOM 0 HA LYS A 103 1.984 12.850 -2.513 1.00 0.00 H new ATOM 0 HB2 LYS A 103 0.857 13.732 0.134 1.00 0.00 H new ATOM 0 HB3 LYS A 103 2.481 13.074 0.144 1.00 0.00 H new ATOM 0 HG2 LYS A 103 3.243 14.709 -1.507 1.00 0.00 H new ATOM 0 HG3 LYS A 103 1.605 15.244 -1.822 1.00 0.00 H new ATOM 0 HD2 LYS A 103 1.393 16.217 0.399 1.00 0.00 H new ATOM 0 HD3 LYS A 103 2.856 15.431 0.958 1.00 0.00 H new ATOM 0 HE2 LYS A 103 4.242 16.988 -0.050 1.00 0.00 H new ATOM 0 HE3 LYS A 103 3.232 17.118 -1.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 3.175 19.158 -0.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 1.638 18.438 -0.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 2.616 18.312 1.189 1.00 0.00 H new ATOM 1146 N VAL A 104 2.826 10.742 -1.174 1.00 0.00 N ATOM 1147 CA VAL A 104 3.114 9.336 -0.772 1.00 0.00 C ATOM 1148 C VAL A 104 4.415 9.292 0.031 1.00 0.00 C ATOM 1149 O VAL A 104 5.243 10.176 -0.062 1.00 0.00 O ATOM 1150 CB VAL A 104 3.256 8.468 -2.023 1.00 0.00 C ATOM 1151 CG1 VAL A 104 4.504 8.891 -2.800 1.00 0.00 C ATOM 1152 CG2 VAL A 104 3.387 7.000 -1.611 1.00 0.00 C ATOM 0 H VAL A 104 3.646 11.309 -1.389 1.00 0.00 H new ATOM 0 HA VAL A 104 2.296 8.958 -0.159 1.00 0.00 H new ATOM 0 HB VAL A 104 2.376 8.593 -2.654 1.00 0.00 H new ATOM 0 HG11 VAL A 104 4.605 8.272 -3.692 1.00 0.00 H new ATOM 0 HG12 VAL A 104 4.413 9.937 -3.093 1.00 0.00 H new ATOM 0 HG13 VAL A 104 5.385 8.766 -2.170 1.00 0.00 H new ATOM 0 HG21 VAL A 104 3.488 6.380 -2.502 1.00 0.00 H new ATOM 0 HG22 VAL A 104 4.268 6.876 -0.981 1.00 0.00 H new ATOM 0 HG23 VAL A 104 2.499 6.697 -1.057 1.00 0.00 H new ATOM 1162 N LYS A 105 4.603 8.268 0.818 1.00 0.00 N ATOM 1163 CA LYS A 105 5.851 8.168 1.626 1.00 0.00 C ATOM 1164 C LYS A 105 6.609 6.898 1.238 1.00 0.00 C ATOM 1165 O LYS A 105 6.714 5.966 2.010 1.00 0.00 O ATOM 1166 CB LYS A 105 5.494 8.115 3.113 1.00 0.00 C ATOM 1167 CG LYS A 105 6.524 8.912 3.915 1.00 0.00 C ATOM 1168 CD LYS A 105 6.132 8.912 5.394 1.00 0.00 C ATOM 1169 CE LYS A 105 7.205 9.638 6.207 1.00 0.00 C ATOM 1170 NZ LYS A 105 6.757 9.762 7.623 1.00 0.00 N ATOM 0 H LYS A 105 3.946 7.497 0.936 1.00 0.00 H new ATOM 0 HA LYS A 105 6.478 9.039 1.434 1.00 0.00 H new ATOM 0 HB2 LYS A 105 4.497 8.525 3.273 1.00 0.00 H new ATOM 0 HB3 LYS A 105 5.472 7.081 3.456 1.00 0.00 H new ATOM 0 HG2 LYS A 105 7.515 8.475 3.791 1.00 0.00 H new ATOM 0 HG3 LYS A 105 6.578 9.935 3.542 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.167 9.402 5.525 1.00 0.00 H new ATOM 0 HD3 LYS A 105 6.020 7.888 5.751 1.00 0.00 H new ATOM 0 HE2 LYS A 105 8.146 9.090 6.159 1.00 0.00 H new ATOM 0 HE3 LYS A 105 7.390 10.626 5.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 7.486 10.256 8.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 5.869 10.303 7.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 6.602 8.814 8.022 1.00 0.00 H new ATOM 1184 N LEU A 106 7.139 6.852 0.046 1.00 0.00 N ATOM 1185 CA LEU A 106 7.890 5.641 -0.390 1.00 0.00 C ATOM 1186 C LEU A 106 8.923 5.270 0.676 1.00 0.00 C ATOM 1187 O LEU A 106 10.010 5.811 0.714 1.00 0.00 O ATOM 1188 CB LEU A 106 8.603 5.932 -1.713 1.00 0.00 C ATOM 1189 CG LEU A 106 8.236 4.858 -2.737 1.00 0.00 C ATOM 1190 CD1 LEU A 106 8.454 5.403 -4.150 1.00 0.00 C ATOM 1191 CD2 LEU A 106 9.122 3.628 -2.524 1.00 0.00 C ATOM 0 H LEU A 106 7.084 7.601 -0.644 1.00 0.00 H new ATOM 0 HA LEU A 106 7.196 4.812 -0.526 1.00 0.00 H new ATOM 0 HB2 LEU A 106 8.317 6.916 -2.084 1.00 0.00 H new ATOM 0 HB3 LEU A 106 9.682 5.950 -1.560 1.00 0.00 H new ATOM 0 HG LEU A 106 7.189 4.580 -2.612 1.00 0.00 H new ATOM 0 HD11 LEU A 106 8.192 4.637 -4.880 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.825 6.280 -4.303 1.00 0.00 H new ATOM 0 HD13 LEU A 106 9.500 5.681 -4.275 1.00 0.00 H new ATOM 0 HD21 LEU A 106 8.861 2.861 -3.254 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.168 3.907 -2.649 1.00 0.00 H new ATOM 0 HD23 LEU A 106 8.968 3.239 -1.518 1.00 0.00 H new ATOM 1203 N ALA A 107 8.592 4.352 1.541 1.00 0.00 N ATOM 1204 CA ALA A 107 9.556 3.947 2.603 1.00 0.00 C ATOM 1205 C ALA A 107 10.437 2.809 2.086 1.00 0.00 C ATOM 1206 O ALA A 107 9.976 1.915 1.405 1.00 0.00 O ATOM 1207 CB ALA A 107 8.786 3.475 3.838 1.00 0.00 C ATOM 0 H ALA A 107 7.696 3.865 1.559 1.00 0.00 H new ATOM 0 HA ALA A 107 10.182 4.799 2.869 1.00 0.00 H new ATOM 0 HB1 ALA A 107 9.491 3.179 4.615 1.00 0.00 H new ATOM 0 HB2 ALA A 107 8.158 4.286 4.207 1.00 0.00 H new ATOM 0 HB3 ALA A 107 8.159 2.623 3.573 1.00 0.00 H new ATOM 1213 N GLY A 108 11.703 2.834 2.403 1.00 0.00 N ATOM 1214 CA GLY A 108 12.612 1.753 1.929 1.00 0.00 C ATOM 1215 C GLY A 108 13.690 2.352 1.023 1.00 0.00 C ATOM 1216 O GLY A 108 13.666 3.524 0.705 1.00 0.00 O ATOM 0 H GLY A 108 12.147 3.557 2.970 1.00 0.00 H new ATOM 0 HA2 GLY A 108 13.074 1.253 2.780 1.00 0.00 H new ATOM 0 HA3 GLY A 108 12.044 0.998 1.386 1.00 0.00 H new ATOM 1220 N GLY A 109 14.636 1.556 0.606 1.00 0.00 N ATOM 1221 CA GLY A 109 15.714 2.081 -0.279 1.00 0.00 C ATOM 1222 C GLY A 109 16.527 0.914 -0.843 1.00 0.00 C ATOM 1223 O GLY A 109 16.235 -0.238 -0.588 1.00 0.00 O ATOM 0 H GLY A 109 14.709 0.566 0.840 1.00 0.00 H new ATOM 0 HA2 GLY A 109 15.280 2.662 -1.093 1.00 0.00 H new ATOM 0 HA3 GLY A 109 16.364 2.753 0.281 1.00 0.00 H new ATOM 1227 N LEU A 110 17.544 1.201 -1.608 1.00 0.00 N ATOM 1228 CA LEU A 110 18.374 0.108 -2.187 1.00 0.00 C ATOM 1229 C LEU A 110 19.319 -0.438 -1.114 1.00 0.00 C ATOM 1230 O LEU A 110 20.190 0.257 -0.630 1.00 0.00 O ATOM 1231 CB LEU A 110 19.193 0.654 -3.358 1.00 0.00 C ATOM 1232 CG LEU A 110 19.239 -0.386 -4.478 1.00 0.00 C ATOM 1233 CD1 LEU A 110 18.036 -0.196 -5.403 1.00 0.00 C ATOM 1234 CD2 LEU A 110 20.531 -0.212 -5.281 1.00 0.00 C ATOM 0 H LEU A 110 17.836 2.146 -1.857 1.00 0.00 H new ATOM 0 HA LEU A 110 17.724 -0.693 -2.541 1.00 0.00 H new ATOM 0 HB2 LEU A 110 18.750 1.580 -3.725 1.00 0.00 H new ATOM 0 HB3 LEU A 110 20.204 0.893 -3.028 1.00 0.00 H new ATOM 0 HG LEU A 110 19.209 -1.386 -4.046 1.00 0.00 H new ATOM 0 HD11 LEU A 110 18.070 -0.938 -6.201 1.00 0.00 H new ATOM 0 HD12 LEU A 110 17.115 -0.319 -4.832 1.00 0.00 H new ATOM 0 HD13 LEU A 110 18.064 0.804 -5.836 1.00 0.00 H new ATOM 0 HD21 LEU A 110 20.565 -0.953 -6.080 1.00 0.00 H new ATOM 0 HD22 LEU A 110 20.559 0.789 -5.712 1.00 0.00 H new ATOM 0 HD23 LEU A 110 21.389 -0.348 -4.623 1.00 0.00 H new ATOM 1246 N GLU A 111 19.154 -1.677 -0.740 1.00 0.00 N ATOM 1247 CA GLU A 111 20.044 -2.265 0.301 1.00 0.00 C ATOM 1248 C GLU A 111 19.947 -3.792 0.251 1.00 0.00 C ATOM 1249 O GLU A 111 20.856 -4.440 0.742 1.00 0.00 O ATOM 1250 CB GLU A 111 19.609 -1.771 1.682 1.00 0.00 C ATOM 1251 CG GLU A 111 20.448 -2.461 2.759 1.00 0.00 C ATOM 1252 CD GLU A 111 19.902 -2.099 4.142 1.00 0.00 C ATOM 1253 OE1 GLU A 111 19.048 -1.231 4.211 1.00 0.00 O ATOM 1254 OE2 GLU A 111 20.348 -2.696 5.108 1.00 0.00 O ATOM 0 H GLU A 111 18.442 -2.307 -1.110 1.00 0.00 H new ATOM 0 HA GLU A 111 21.074 -1.960 0.114 1.00 0.00 H new ATOM 0 HB2 GLU A 111 19.731 -0.690 1.748 1.00 0.00 H new ATOM 0 HB3 GLU A 111 18.551 -1.983 1.839 1.00 0.00 H new ATOM 0 HG2 GLU A 111 20.423 -3.542 2.618 1.00 0.00 H new ATOM 0 HG3 GLU A 111 21.490 -2.153 2.676 1.00 0.00 H new TER 1261 GLU A 111