USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 785 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= -0.314 (180deg=-0.314) USER MOD Single : A 26 SER OG : rot 10:sc= 0.236 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -167:sc= -0.0289 (180deg=-0.217) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -131:sc= -1.43 (180deg=-4.29!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.95 K(o=-0.95,f=-7.8!) USER MOD Single : A 73 LYS NZ :NH3+ -162:sc= -0.108 (180deg=-0.462) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.236 -18.152 6.119 1.00 0.00 N ATOM 2 CA MET A 1 1.589 -17.106 6.903 1.00 0.00 C ATOM 3 C MET A 1 2.356 -15.791 6.800 1.00 0.00 C ATOM 4 O MET A 1 2.489 -15.059 7.779 1.00 0.00 O ATOM 5 CB MET A 1 1.480 -17.533 8.368 1.00 0.00 C ATOM 6 CG MET A 1 0.663 -18.798 8.575 1.00 0.00 C ATOM 7 SD MET A 1 -1.036 -18.628 7.996 1.00 0.00 S ATOM 8 CE MET A 1 -1.691 -20.247 8.393 1.00 0.00 C ATOM 0 H1 MET A 1 1.695 -19.036 6.206 1.00 0.00 H new ATOM 0 H2 MET A 1 2.272 -17.865 5.120 1.00 0.00 H new ATOM 0 H3 MET A 1 3.203 -18.302 6.471 1.00 0.00 H new ATOM 0 HA MET A 1 0.588 -16.952 6.500 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.482 -17.688 8.768 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.030 -16.722 8.941 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.141 -19.625 8.050 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.658 -19.054 9.635 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.738 -20.299 8.094 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.123 -21.010 7.861 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.611 -20.419 9.466 1.00 0.00 H new ATOM 18 N ARG A 2 2.856 -15.498 5.605 1.00 0.00 N ATOM 19 CA ARG A 2 3.607 -14.268 5.373 1.00 0.00 C ATOM 20 C ARG A 2 2.734 -13.220 4.690 1.00 0.00 C ATOM 21 O ARG A 2 2.020 -13.523 3.733 1.00 0.00 O ATOM 22 CB ARG A 2 4.864 -14.540 4.531 1.00 0.00 C ATOM 23 CG ARG A 2 4.608 -14.737 3.040 1.00 0.00 C ATOM 24 CD ARG A 2 3.708 -15.930 2.761 1.00 0.00 C ATOM 25 NE ARG A 2 3.623 -16.233 1.335 1.00 0.00 N ATOM 26 CZ ARG A 2 2.926 -17.251 0.835 1.00 0.00 C ATOM 27 NH1 ARG A 2 2.259 -18.067 1.641 1.00 0.00 N ATOM 28 NH2 ARG A 2 2.897 -17.455 -0.475 1.00 0.00 N ATOM 0 H ARG A 2 2.756 -16.093 4.783 1.00 0.00 H new ATOM 0 HA ARG A 2 3.919 -13.882 6.343 1.00 0.00 H new ATOM 0 HB2 ARG A 2 5.556 -13.708 4.659 1.00 0.00 H new ATOM 0 HB3 ARG A 2 5.359 -15.430 4.920 1.00 0.00 H new ATOM 0 HG2 ARG A 2 4.151 -13.836 2.630 1.00 0.00 H new ATOM 0 HG3 ARG A 2 5.559 -14.874 2.525 1.00 0.00 H new ATOM 0 HD2 ARG A 2 4.087 -16.802 3.294 1.00 0.00 H new ATOM 0 HD3 ARG A 2 2.709 -15.728 3.148 1.00 0.00 H new ATOM 0 HE ARG A 2 4.127 -15.630 0.685 1.00 0.00 H new ATOM 0 HH11 ARG A 2 2.279 -17.916 2.650 1.00 0.00 H new ATOM 0 HH12 ARG A 2 1.727 -18.845 1.252 1.00 0.00 H new ATOM 0 HH21 ARG A 2 3.409 -16.832 -1.100 1.00 0.00 H new ATOM 0 HH22 ARG A 2 2.363 -18.235 -0.858 1.00 0.00 H new ATOM 42 N VAL A 3 2.793 -11.987 5.184 1.00 0.00 N ATOM 43 CA VAL A 3 2.004 -10.902 4.615 1.00 0.00 C ATOM 44 C VAL A 3 2.811 -9.609 4.563 1.00 0.00 C ATOM 45 O VAL A 3 3.520 -9.270 5.509 1.00 0.00 O ATOM 46 CB VAL A 3 0.710 -10.661 5.422 1.00 0.00 C ATOM 47 CG1 VAL A 3 1.023 -10.149 6.821 1.00 0.00 C ATOM 48 CG2 VAL A 3 -0.206 -9.698 4.682 1.00 0.00 C ATOM 0 H VAL A 3 3.377 -11.716 5.975 1.00 0.00 H new ATOM 0 HA VAL A 3 1.736 -11.201 3.602 1.00 0.00 H new ATOM 0 HB VAL A 3 0.192 -11.614 5.528 1.00 0.00 H new ATOM 0 HG11 VAL A 3 0.093 -9.988 7.366 1.00 0.00 H new ATOM 0 HG12 VAL A 3 1.631 -10.883 7.350 1.00 0.00 H new ATOM 0 HG13 VAL A 3 1.569 -9.208 6.750 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.114 -9.539 5.264 1.00 0.00 H new ATOM 0 HG22 VAL A 3 0.305 -8.746 4.540 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.467 -10.118 3.711 1.00 0.00 H new ATOM 58 N GLY A 4 2.692 -8.885 3.454 1.00 0.00 N ATOM 59 CA GLY A 4 3.413 -7.636 3.306 1.00 0.00 C ATOM 60 C GLY A 4 2.733 -6.487 4.023 1.00 0.00 C ATOM 61 O GLY A 4 1.532 -6.273 3.866 1.00 0.00 O ATOM 0 H GLY A 4 2.110 -9.142 2.657 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.424 -7.755 3.695 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.505 -7.396 2.247 1.00 0.00 H new ATOM 65 N ALA A 5 3.504 -5.741 4.808 1.00 0.00 N ATOM 66 CA ALA A 5 2.968 -4.604 5.549 1.00 0.00 C ATOM 67 C ALA A 5 3.627 -3.306 5.099 1.00 0.00 C ATOM 68 O ALA A 5 4.848 -3.230 4.971 1.00 0.00 O ATOM 69 CB ALA A 5 3.160 -4.808 7.043 1.00 0.00 C ATOM 0 H ALA A 5 4.501 -5.903 4.948 1.00 0.00 H new ATOM 0 HA ALA A 5 1.900 -4.533 5.342 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.755 -3.952 7.582 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.640 -5.713 7.356 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.223 -4.906 7.263 1.00 0.00 H new ATOM 75 N LEU A 6 2.811 -2.285 4.857 1.00 0.00 N ATOM 76 CA LEU A 6 3.320 -0.992 4.415 1.00 0.00 C ATOM 77 C LEU A 6 2.944 0.113 5.396 1.00 0.00 C ATOM 78 O LEU A 6 1.827 0.153 5.908 1.00 0.00 O ATOM 79 CB LEU A 6 2.786 -0.654 3.023 1.00 0.00 C ATOM 80 CG LEU A 6 3.181 -1.637 1.920 1.00 0.00 C ATOM 81 CD1 LEU A 6 2.586 -1.211 0.587 1.00 0.00 C ATOM 82 CD2 LEU A 6 4.696 -1.743 1.819 1.00 0.00 C ATOM 0 H LEU A 6 1.797 -2.328 4.959 1.00 0.00 H new ATOM 0 HA LEU A 6 4.407 -1.060 4.374 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.698 -0.603 3.071 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.140 0.339 2.747 1.00 0.00 H new ATOM 0 HG LEU A 6 2.783 -2.619 2.175 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.878 -1.922 -0.186 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.499 -1.186 0.665 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.954 -0.219 0.325 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.960 -2.447 1.029 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.115 -0.764 1.587 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.100 -2.095 2.768 1.00 0.00 H new ATOM 94 N ASP A 7 3.891 1.009 5.647 1.00 0.00 N ATOM 95 CA ASP A 7 3.678 2.123 6.560 1.00 0.00 C ATOM 96 C ASP A 7 4.517 3.319 6.138 1.00 0.00 C ATOM 97 O ASP A 7 5.586 3.159 5.555 1.00 0.00 O ATOM 98 CB ASP A 7 4.025 1.724 7.995 1.00 0.00 C ATOM 99 CG ASP A 7 5.446 1.225 8.133 1.00 0.00 C ATOM 100 OD1 ASP A 7 5.758 0.167 7.551 1.00 0.00 O ATOM 101 OD2 ASP A 7 6.246 1.889 8.824 1.00 0.00 O ATOM 0 H ASP A 7 4.820 0.984 5.227 1.00 0.00 H new ATOM 0 HA ASP A 7 2.623 2.396 6.522 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.880 2.582 8.652 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.337 0.947 8.329 1.00 0.00 H new ATOM 106 N VAL A 8 4.023 4.518 6.424 1.00 0.00 N ATOM 107 CA VAL A 8 4.733 5.735 6.059 1.00 0.00 C ATOM 108 C VAL A 8 4.443 6.862 7.045 1.00 0.00 C ATOM 109 O VAL A 8 3.286 7.194 7.300 1.00 0.00 O ATOM 110 CB VAL A 8 4.343 6.195 4.640 1.00 0.00 C ATOM 111 CG1 VAL A 8 2.850 6.481 4.562 1.00 0.00 C ATOM 112 CG2 VAL A 8 5.154 7.416 4.226 1.00 0.00 C ATOM 0 H VAL A 8 3.137 4.672 6.906 1.00 0.00 H new ATOM 0 HA VAL A 8 5.798 5.505 6.085 1.00 0.00 H new ATOM 0 HB VAL A 8 4.571 5.389 3.943 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.594 6.804 3.553 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.293 5.576 4.806 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.593 7.268 5.271 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.862 7.723 3.222 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.966 8.232 4.924 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.215 7.168 4.236 1.00 0.00 H new ATOM 122 N GLY A 9 5.503 7.454 7.587 1.00 0.00 N ATOM 123 CA GLY A 9 5.338 8.546 8.528 1.00 0.00 C ATOM 124 C GLY A 9 5.226 9.885 7.829 1.00 0.00 C ATOM 125 O GLY A 9 4.250 10.613 8.016 1.00 0.00 O ATOM 0 H GLY A 9 6.471 7.198 7.392 1.00 0.00 H new ATOM 0 HA2 GLY A 9 4.445 8.375 9.129 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.185 8.565 9.214 1.00 0.00 H new ATOM 129 N GLU A 10 6.226 10.203 7.013 1.00 0.00 N ATOM 130 CA GLU A 10 6.249 11.457 6.267 1.00 0.00 C ATOM 131 C GLU A 10 7.532 11.578 5.448 1.00 0.00 C ATOM 132 O GLU A 10 8.066 12.673 5.274 1.00 0.00 O ATOM 133 CB GLU A 10 6.128 12.654 7.213 1.00 0.00 C ATOM 134 CG GLU A 10 7.275 12.771 8.208 1.00 0.00 C ATOM 135 CD GLU A 10 7.348 11.595 9.161 1.00 0.00 C ATOM 136 OE1 GLU A 10 6.364 11.364 9.896 1.00 0.00 O ATOM 137 OE2 GLU A 10 8.389 10.904 9.173 1.00 0.00 O ATOM 0 H GLU A 10 7.036 9.605 6.851 1.00 0.00 H new ATOM 0 HA GLU A 10 5.396 11.455 5.588 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.078 13.568 6.622 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.190 12.577 7.762 1.00 0.00 H new ATOM 0 HG2 GLU A 10 8.216 12.850 7.663 1.00 0.00 H new ATOM 0 HG3 GLU A 10 7.160 13.691 8.781 1.00 0.00 H new ATOM 144 N ALA A 11 8.021 10.445 4.944 1.00 0.00 N ATOM 145 CA ALA A 11 9.242 10.420 4.142 1.00 0.00 C ATOM 146 C ALA A 11 9.731 8.990 3.931 1.00 0.00 C ATOM 147 O ALA A 11 10.058 8.593 2.813 1.00 0.00 O ATOM 148 CB ALA A 11 10.335 11.254 4.797 1.00 0.00 C ATOM 0 H ALA A 11 7.588 9.531 5.078 1.00 0.00 H new ATOM 0 HA ALA A 11 9.008 10.851 3.169 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.235 11.221 4.183 1.00 0.00 H new ATOM 0 HB2 ALA A 11 9.998 12.286 4.892 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.556 10.852 5.786 1.00 0.00 H new ATOM 154 N ARG A 12 9.789 8.226 5.018 1.00 0.00 N ATOM 155 CA ARG A 12 10.245 6.842 4.959 1.00 0.00 C ATOM 156 C ARG A 12 9.079 5.865 5.082 1.00 0.00 C ATOM 157 O ARG A 12 8.157 6.077 5.874 1.00 0.00 O ATOM 158 CB ARG A 12 11.268 6.576 6.067 1.00 0.00 C ATOM 159 CG ARG A 12 11.800 5.152 6.076 1.00 0.00 C ATOM 160 CD ARG A 12 12.817 4.944 7.187 1.00 0.00 C ATOM 161 NE ARG A 12 12.240 5.184 8.509 1.00 0.00 N ATOM 162 CZ ARG A 12 12.923 5.067 9.647 1.00 0.00 C ATOM 163 NH1 ARG A 12 14.201 4.715 9.628 1.00 0.00 N ATOM 164 NH2 ARG A 12 12.323 5.303 10.806 1.00 0.00 N ATOM 0 H ARG A 12 9.525 8.543 5.951 1.00 0.00 H new ATOM 0 HA ARG A 12 10.715 6.687 3.988 1.00 0.00 H new ATOM 0 HB2 ARG A 12 12.104 7.266 5.952 1.00 0.00 H new ATOM 0 HB3 ARG A 12 10.809 6.790 7.032 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.972 4.454 6.204 1.00 0.00 H new ATOM 0 HG3 ARG A 12 12.260 4.928 5.114 1.00 0.00 H new ATOM 0 HD2 ARG A 12 13.203 3.926 7.139 1.00 0.00 H new ATOM 0 HD3 ARG A 12 13.663 5.613 7.034 1.00 0.00 H new ATOM 0 HE ARG A 12 11.259 5.457 8.563 1.00 0.00 H new ATOM 0 HH11 ARG A 12 14.666 4.532 8.739 1.00 0.00 H new ATOM 0 HH12 ARG A 12 14.719 4.627 10.502 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.340 5.574 10.825 1.00 0.00 H new ATOM 0 HH22 ARG A 12 12.845 5.214 11.678 1.00 0.00 H new ATOM 178 N ILE A 13 9.134 4.788 4.303 1.00 0.00 N ATOM 179 CA ILE A 13 8.094 3.766 4.330 1.00 0.00 C ATOM 180 C ILE A 13 8.610 2.496 5.002 1.00 0.00 C ATOM 181 O ILE A 13 9.675 1.989 4.648 1.00 0.00 O ATOM 182 CB ILE A 13 7.599 3.430 2.906 1.00 0.00 C ATOM 183 CG1 ILE A 13 7.112 4.697 2.202 1.00 0.00 C ATOM 184 CG2 ILE A 13 6.489 2.388 2.956 1.00 0.00 C ATOM 185 CD1 ILE A 13 6.607 4.451 0.796 1.00 0.00 C ATOM 0 H ILE A 13 9.890 4.601 3.644 1.00 0.00 H new ATOM 0 HA ILE A 13 7.257 4.165 4.903 1.00 0.00 H new ATOM 0 HB ILE A 13 8.432 3.015 2.339 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.314 5.147 2.792 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.928 5.419 2.165 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.154 2.165 1.943 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.865 1.478 3.423 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.653 2.775 3.538 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.278 5.393 0.358 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.409 4.029 0.190 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.770 3.753 0.827 1.00 0.00 H new ATOM 197 N GLY A 14 7.861 1.985 5.977 1.00 0.00 N ATOM 198 CA GLY A 14 8.279 0.783 6.676 1.00 0.00 C ATOM 199 C GLY A 14 7.848 -0.492 5.973 1.00 0.00 C ATOM 200 O GLY A 14 6.745 -0.570 5.432 1.00 0.00 O ATOM 0 H GLY A 14 6.976 2.381 6.294 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.364 0.787 6.777 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.865 0.793 7.684 1.00 0.00 H new ATOM 204 N LEU A 15 8.717 -1.497 5.991 1.00 0.00 N ATOM 205 CA LEU A 15 8.417 -2.779 5.361 1.00 0.00 C ATOM 206 C LEU A 15 8.405 -3.901 6.392 1.00 0.00 C ATOM 207 O LEU A 15 9.339 -4.041 7.183 1.00 0.00 O ATOM 208 CB LEU A 15 9.440 -3.095 4.268 1.00 0.00 C ATOM 209 CG LEU A 15 9.390 -2.175 3.050 1.00 0.00 C ATOM 210 CD1 LEU A 15 10.460 -2.568 2.042 1.00 0.00 C ATOM 211 CD2 LEU A 15 8.010 -2.216 2.410 1.00 0.00 C ATOM 0 H LEU A 15 9.634 -1.449 6.434 1.00 0.00 H new ATOM 0 HA LEU A 15 7.427 -2.705 4.911 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.439 -3.045 4.701 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.288 -4.122 3.935 1.00 0.00 H new ATOM 0 HG LEU A 15 9.587 -1.154 3.378 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.410 -1.902 1.180 1.00 0.00 H new ATOM 0 HD12 LEU A 15 11.443 -2.489 2.506 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.294 -3.595 1.717 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.991 -1.555 1.543 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.785 -3.235 2.094 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.264 -1.888 3.133 1.00 0.00 H new ATOM 223 N ALA A 16 7.341 -4.694 6.382 1.00 0.00 N ATOM 224 CA ALA A 16 7.202 -5.801 7.319 1.00 0.00 C ATOM 225 C ALA A 16 6.636 -7.032 6.628 1.00 0.00 C ATOM 226 O ALA A 16 5.839 -6.920 5.696 1.00 0.00 O ATOM 227 CB ALA A 16 6.323 -5.397 8.492 1.00 0.00 C ATOM 0 H ALA A 16 6.560 -4.591 5.734 1.00 0.00 H new ATOM 0 HA ALA A 16 8.193 -6.052 7.697 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.230 -6.235 9.182 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.773 -4.550 9.009 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.335 -5.116 8.127 1.00 0.00 H new ATOM 233 N VAL A 17 7.052 -8.208 7.085 1.00 0.00 N ATOM 234 CA VAL A 17 6.584 -9.457 6.500 1.00 0.00 C ATOM 235 C VAL A 17 6.491 -10.562 7.545 1.00 0.00 C ATOM 236 O VAL A 17 7.492 -10.964 8.136 1.00 0.00 O ATOM 237 CB VAL A 17 7.507 -9.918 5.354 1.00 0.00 C ATOM 238 CG1 VAL A 17 7.008 -11.221 4.745 1.00 0.00 C ATOM 239 CG2 VAL A 17 7.614 -8.836 4.289 1.00 0.00 C ATOM 0 H VAL A 17 7.710 -8.322 7.856 1.00 0.00 H new ATOM 0 HA VAL A 17 5.588 -9.264 6.101 1.00 0.00 H new ATOM 0 HB VAL A 17 8.500 -10.097 5.767 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.676 -11.525 3.939 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.987 -11.996 5.511 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.003 -11.076 4.348 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.269 -9.178 3.488 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.624 -8.625 3.884 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.025 -7.929 4.732 1.00 0.00 H new ATOM 249 N GLY A 18 5.274 -11.051 7.760 1.00 0.00 N ATOM 250 CA GLY A 18 5.050 -12.110 8.722 1.00 0.00 C ATOM 251 C GLY A 18 3.589 -12.498 8.812 1.00 0.00 C ATOM 252 O GLY A 18 2.846 -12.379 7.837 1.00 0.00 O ATOM 0 H GLY A 18 4.434 -10.728 7.280 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.640 -12.983 8.443 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.400 -11.788 9.703 1.00 0.00 H new ATOM 256 N GLU A 19 3.169 -12.947 9.988 1.00 0.00 N ATOM 257 CA GLU A 19 1.783 -13.334 10.209 1.00 0.00 C ATOM 258 C GLU A 19 0.907 -12.098 10.388 1.00 0.00 C ATOM 259 O GLU A 19 1.364 -11.075 10.897 1.00 0.00 O ATOM 260 CB GLU A 19 1.670 -14.249 11.430 1.00 0.00 C ATOM 261 CG GLU A 19 2.306 -13.673 12.684 1.00 0.00 C ATOM 262 CD GLU A 19 2.062 -14.532 13.910 1.00 0.00 C ATOM 263 OE1 GLU A 19 0.883 -14.741 14.263 1.00 0.00 O ATOM 264 OE2 GLU A 19 3.051 -14.994 14.518 1.00 0.00 O ATOM 0 H GLU A 19 3.771 -13.052 10.805 1.00 0.00 H new ATOM 0 HA GLU A 19 1.435 -13.882 9.334 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.617 -14.450 11.627 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.140 -15.206 11.201 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.379 -13.568 12.527 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.910 -12.673 12.861 1.00 0.00 H new ATOM 271 N GLU A 20 -0.349 -12.194 9.960 1.00 0.00 N ATOM 272 CA GLU A 20 -1.285 -11.074 10.066 1.00 0.00 C ATOM 273 C GLU A 20 -1.224 -10.431 11.450 1.00 0.00 C ATOM 274 O GLU A 20 -0.993 -9.230 11.576 1.00 0.00 O ATOM 275 CB GLU A 20 -2.710 -11.548 9.773 1.00 0.00 C ATOM 276 CG GLU A 20 -3.750 -10.442 9.853 1.00 0.00 C ATOM 277 CD GLU A 20 -5.152 -10.939 9.563 1.00 0.00 C ATOM 278 OE1 GLU A 20 -5.632 -11.826 10.300 1.00 0.00 O ATOM 279 OE2 GLU A 20 -5.773 -10.440 8.600 1.00 0.00 O ATOM 0 H GLU A 20 -0.744 -13.034 9.537 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.996 -10.324 9.330 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.739 -11.990 8.777 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.974 -12.335 10.479 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.725 -9.996 10.847 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.493 -9.655 9.144 1.00 0.00 H new ATOM 286 N GLY A 21 -1.423 -11.241 12.485 1.00 0.00 N ATOM 287 CA GLY A 21 -1.374 -10.728 13.843 1.00 0.00 C ATOM 288 C GLY A 21 0.038 -10.700 14.394 1.00 0.00 C ATOM 289 O GLY A 21 0.757 -11.693 14.317 1.00 0.00 O ATOM 0 H GLY A 21 -1.617 -12.240 12.409 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.791 -9.721 13.864 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.001 -11.346 14.486 1.00 0.00 H new ATOM 293 N VAL A 22 0.437 -9.564 14.956 1.00 0.00 N ATOM 294 CA VAL A 22 1.774 -9.426 15.520 1.00 0.00 C ATOM 295 C VAL A 22 1.780 -8.432 16.681 1.00 0.00 C ATOM 296 O VAL A 22 1.329 -7.296 16.536 1.00 0.00 O ATOM 297 CB VAL A 22 2.786 -8.961 14.451 1.00 0.00 C ATOM 298 CG1 VAL A 22 4.187 -8.861 15.038 1.00 0.00 C ATOM 299 CG2 VAL A 22 2.768 -9.899 13.252 1.00 0.00 C ATOM 0 H VAL A 22 -0.144 -8.729 15.033 1.00 0.00 H new ATOM 0 HA VAL A 22 2.070 -10.409 15.887 1.00 0.00 H new ATOM 0 HB VAL A 22 2.491 -7.968 14.112 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.882 -8.532 14.266 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.188 -8.142 15.857 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.496 -9.837 15.412 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.488 -9.554 12.510 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.033 -10.906 13.574 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.770 -9.909 12.813 1.00 0.00 H new ATOM 309 N PRO A 23 2.287 -8.851 17.857 1.00 0.00 N ATOM 310 CA PRO A 23 2.341 -7.994 19.042 1.00 0.00 C ATOM 311 C PRO A 23 3.510 -7.014 19.015 1.00 0.00 C ATOM 312 O PRO A 23 3.341 -5.826 19.290 1.00 0.00 O ATOM 313 CB PRO A 23 2.508 -8.997 20.181 1.00 0.00 C ATOM 314 CG PRO A 23 3.250 -10.136 19.575 1.00 0.00 C ATOM 315 CD PRO A 23 2.840 -10.194 18.124 1.00 0.00 C ATOM 0 HA PRO A 23 1.457 -7.362 19.128 1.00 0.00 H new ATOM 0 HB2 PRO A 23 3.061 -8.562 21.014 1.00 0.00 H new ATOM 0 HB3 PRO A 23 1.542 -9.317 20.572 1.00 0.00 H new ATOM 0 HG2 PRO A 23 4.326 -9.991 19.668 1.00 0.00 H new ATOM 0 HG3 PRO A 23 3.009 -11.070 20.083 1.00 0.00 H new ATOM 0 HD2 PRO A 23 3.690 -10.412 17.477 1.00 0.00 H new ATOM 0 HD3 PRO A 23 2.098 -10.973 17.949 1.00 0.00 H new ATOM 323 N LEU A 24 4.698 -7.517 18.692 1.00 0.00 N ATOM 324 CA LEU A 24 5.893 -6.680 18.645 1.00 0.00 C ATOM 325 C LEU A 24 5.775 -5.623 17.549 1.00 0.00 C ATOM 326 O LEU A 24 5.621 -4.436 17.836 1.00 0.00 O ATOM 327 CB LEU A 24 7.137 -7.547 18.419 1.00 0.00 C ATOM 328 CG LEU A 24 8.482 -6.819 18.540 1.00 0.00 C ATOM 329 CD1 LEU A 24 8.653 -5.802 17.423 1.00 0.00 C ATOM 330 CD2 LEU A 24 8.597 -6.144 19.899 1.00 0.00 C ATOM 0 H LEU A 24 4.859 -8.497 18.460 1.00 0.00 H new ATOM 0 HA LEU A 24 5.990 -6.167 19.602 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.122 -8.367 19.137 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.073 -7.992 17.426 1.00 0.00 H new ATOM 0 HG LEU A 24 9.279 -7.557 18.448 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.614 -5.300 17.532 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.616 -6.310 16.459 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.851 -5.066 17.476 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.556 -5.631 19.971 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.790 -5.421 20.016 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.528 -6.895 20.686 1.00 0.00 H new ATOM 342 N ALA A 25 5.847 -6.061 16.293 1.00 0.00 N ATOM 343 CA ALA A 25 5.747 -5.147 15.156 1.00 0.00 C ATOM 344 C ALA A 25 6.086 -5.852 13.845 1.00 0.00 C ATOM 345 O ALA A 25 5.423 -5.642 12.833 1.00 0.00 O ATOM 346 CB ALA A 25 6.662 -3.944 15.351 1.00 0.00 C ATOM 0 H ALA A 25 5.974 -7.040 16.037 1.00 0.00 H new ATOM 0 HA ALA A 25 4.714 -4.802 15.102 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.573 -3.276 14.494 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.375 -3.411 16.258 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.694 -4.283 15.441 1.00 0.00 H new ATOM 352 N SER A 26 7.132 -6.679 13.878 1.00 0.00 N ATOM 353 CA SER A 26 7.581 -7.415 12.697 1.00 0.00 C ATOM 354 C SER A 26 7.978 -6.456 11.579 1.00 0.00 C ATOM 355 O SER A 26 7.299 -5.462 11.328 1.00 0.00 O ATOM 356 CB SER A 26 6.500 -8.383 12.207 1.00 0.00 C ATOM 357 OG SER A 26 5.354 -7.692 11.742 1.00 0.00 O ATOM 0 H SER A 26 7.687 -6.856 14.716 1.00 0.00 H new ATOM 0 HA SER A 26 8.457 -7.997 12.982 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.902 -9.003 11.406 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.217 -9.054 13.018 1.00 0.00 H new ATOM 0 HG SER A 26 5.551 -6.734 11.684 1.00 0.00 H new ATOM 363 N GLY A 27 9.086 -6.760 10.912 1.00 0.00 N ATOM 364 CA GLY A 27 9.551 -5.912 9.831 1.00 0.00 C ATOM 365 C GLY A 27 10.276 -6.689 8.751 1.00 0.00 C ATOM 366 O GLY A 27 10.013 -7.876 8.551 1.00 0.00 O ATOM 0 H GLY A 27 9.669 -7.576 11.100 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.700 -5.392 9.390 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.217 -5.149 10.234 1.00 0.00 H new ATOM 370 N ARG A 28 11.189 -6.022 8.052 1.00 0.00 N ATOM 371 CA ARG A 28 11.953 -6.658 6.983 1.00 0.00 C ATOM 372 C ARG A 28 12.913 -5.665 6.335 1.00 0.00 C ATOM 373 O ARG A 28 14.068 -5.990 6.063 1.00 0.00 O ATOM 374 CB ARG A 28 11.009 -7.235 5.923 1.00 0.00 C ATOM 375 CG ARG A 28 11.725 -7.955 4.794 1.00 0.00 C ATOM 376 CD ARG A 28 12.563 -9.111 5.314 1.00 0.00 C ATOM 377 NE ARG A 28 11.750 -10.104 6.012 1.00 0.00 N ATOM 378 CZ ARG A 28 12.243 -11.213 6.559 1.00 0.00 C ATOM 379 NH1 ARG A 28 13.544 -11.474 6.493 1.00 0.00 N ATOM 380 NH2 ARG A 28 11.435 -12.063 7.177 1.00 0.00 N ATOM 0 H ARG A 28 11.418 -5.040 8.206 1.00 0.00 H new ATOM 0 HA ARG A 28 12.535 -7.468 7.422 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.318 -7.928 6.403 1.00 0.00 H new ATOM 0 HB3 ARG A 28 10.410 -6.426 5.504 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.993 -8.328 4.077 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.364 -7.252 4.260 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.081 -9.587 4.481 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.328 -8.729 5.990 1.00 0.00 H new ATOM 0 HE ARG A 28 10.746 -9.938 6.084 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.171 -10.823 6.021 1.00 0.00 H new ATOM 0 HH12 ARG A 28 13.915 -12.326 6.914 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.436 -11.867 7.233 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.813 -12.913 7.596 1.00 0.00 H new ATOM 394 N GLY A 29 12.426 -4.451 6.090 1.00 0.00 N ATOM 395 CA GLY A 29 13.257 -3.430 5.476 1.00 0.00 C ATOM 396 C GLY A 29 12.590 -2.068 5.457 1.00 0.00 C ATOM 397 O GLY A 29 11.965 -1.662 6.437 1.00 0.00 O ATOM 0 H GLY A 29 11.473 -4.157 6.305 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.200 -3.361 6.017 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.496 -3.727 4.455 1.00 0.00 H new ATOM 401 N TYR A 30 12.726 -1.358 4.339 1.00 0.00 N ATOM 402 CA TYR A 30 12.135 -0.030 4.196 1.00 0.00 C ATOM 403 C TYR A 30 12.442 0.560 2.823 1.00 0.00 C ATOM 404 O TYR A 30 13.478 0.263 2.228 1.00 0.00 O ATOM 405 CB TYR A 30 12.647 0.903 5.299 1.00 0.00 C ATOM 406 CG TYR A 30 14.155 1.024 5.352 1.00 0.00 C ATOM 407 CD1 TYR A 30 14.871 1.576 4.296 1.00 0.00 C ATOM 408 CD2 TYR A 30 14.864 0.580 6.463 1.00 0.00 C ATOM 409 CE1 TYR A 30 16.249 1.682 4.345 1.00 0.00 C ATOM 410 CE2 TYR A 30 16.241 0.683 6.519 1.00 0.00 C ATOM 411 CZ TYR A 30 16.928 1.235 5.458 1.00 0.00 C ATOM 412 OH TYR A 30 18.299 1.339 5.511 1.00 0.00 O ATOM 0 H TYR A 30 13.240 -1.680 3.519 1.00 0.00 H new ATOM 0 HA TYR A 30 11.054 -0.129 4.291 1.00 0.00 H new ATOM 0 HB2 TYR A 30 12.218 1.894 5.150 1.00 0.00 H new ATOM 0 HB3 TYR A 30 12.288 0.541 6.262 1.00 0.00 H new ATOM 0 HD1 TYR A 30 14.342 1.928 3.423 1.00 0.00 H new ATOM 0 HD2 TYR A 30 14.330 0.147 7.296 1.00 0.00 H new ATOM 0 HE1 TYR A 30 16.790 2.113 3.516 1.00 0.00 H new ATOM 0 HE2 TYR A 30 16.776 0.333 7.389 1.00 0.00 H new ATOM 0 HH TYR A 30 18.622 0.979 6.364 1.00 0.00 H new ATOM 422 N LEU A 31 11.536 1.396 2.324 1.00 0.00 N ATOM 423 CA LEU A 31 11.716 2.024 1.019 1.00 0.00 C ATOM 424 C LEU A 31 11.326 3.498 1.059 1.00 0.00 C ATOM 425 O LEU A 31 10.298 3.866 1.628 1.00 0.00 O ATOM 426 CB LEU A 31 10.893 1.303 -0.054 1.00 0.00 C ATOM 427 CG LEU A 31 9.378 1.306 0.166 1.00 0.00 C ATOM 428 CD1 LEU A 31 8.666 0.748 -1.058 1.00 0.00 C ATOM 429 CD2 LEU A 31 9.015 0.499 1.403 1.00 0.00 C ATOM 0 H LEU A 31 10.672 1.654 2.802 1.00 0.00 H new ATOM 0 HA LEU A 31 12.773 1.948 0.765 1.00 0.00 H new ATOM 0 HB2 LEU A 31 11.103 1.764 -1.019 1.00 0.00 H new ATOM 0 HB3 LEU A 31 11.232 0.269 -0.114 1.00 0.00 H new ATOM 0 HG LEU A 31 9.054 2.335 0.320 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.589 0.756 -0.888 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.901 1.363 -1.927 1.00 0.00 H new ATOM 0 HD13 LEU A 31 8.997 -0.275 -1.237 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.934 0.513 1.542 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.351 -0.530 1.278 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.499 0.935 2.277 1.00 0.00 H new ATOM 441 N VAL A 32 12.148 4.336 0.439 1.00 0.00 N ATOM 442 CA VAL A 32 11.887 5.768 0.387 1.00 0.00 C ATOM 443 C VAL A 32 10.760 6.068 -0.596 1.00 0.00 C ATOM 444 O VAL A 32 10.605 5.370 -1.598 1.00 0.00 O ATOM 445 CB VAL A 32 13.146 6.557 -0.027 1.00 0.00 C ATOM 446 CG1 VAL A 32 12.871 8.054 -0.015 1.00 0.00 C ATOM 447 CG2 VAL A 32 14.313 6.214 0.886 1.00 0.00 C ATOM 0 H VAL A 32 13.003 4.047 -0.036 1.00 0.00 H new ATOM 0 HA VAL A 32 11.594 6.082 1.389 1.00 0.00 H new ATOM 0 HB VAL A 32 13.413 6.271 -1.044 1.00 0.00 H new ATOM 0 HG11 VAL A 32 13.772 8.592 -0.310 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.067 8.282 -0.715 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.577 8.362 0.988 1.00 0.00 H new ATOM 0 HG21 VAL A 32 15.193 6.780 0.580 1.00 0.00 H new ATOM 0 HG22 VAL A 32 14.058 6.469 1.914 1.00 0.00 H new ATOM 0 HG23 VAL A 32 14.526 5.147 0.819 1.00 0.00 H new ATOM 457 N ARG A 33 9.974 7.101 -0.310 1.00 0.00 N ATOM 458 CA ARG A 33 8.866 7.477 -1.181 1.00 0.00 C ATOM 459 C ARG A 33 9.344 7.703 -2.612 1.00 0.00 C ATOM 460 O ARG A 33 10.419 8.260 -2.838 1.00 0.00 O ATOM 461 CB ARG A 33 8.180 8.742 -0.660 1.00 0.00 C ATOM 462 CG ARG A 33 7.576 8.582 0.725 1.00 0.00 C ATOM 463 CD ARG A 33 6.891 9.860 1.181 1.00 0.00 C ATOM 464 NE ARG A 33 7.810 10.996 1.201 1.00 0.00 N ATOM 465 CZ ARG A 33 7.458 12.229 1.554 1.00 0.00 C ATOM 466 NH1 ARG A 33 6.209 12.492 1.917 1.00 0.00 N ATOM 467 NH2 ARG A 33 8.358 13.203 1.546 1.00 0.00 N ATOM 0 H ARG A 33 10.083 7.691 0.515 1.00 0.00 H new ATOM 0 HA ARG A 33 8.150 6.655 -1.180 1.00 0.00 H new ATOM 0 HB2 ARG A 33 8.905 9.556 -0.639 1.00 0.00 H new ATOM 0 HB3 ARG A 33 7.395 9.033 -1.358 1.00 0.00 H new ATOM 0 HG2 ARG A 33 6.856 7.764 0.717 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.357 8.312 1.436 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.056 10.081 0.516 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.475 9.713 2.178 1.00 0.00 H new ATOM 0 HE ARG A 33 8.779 10.834 0.928 1.00 0.00 H new ATOM 0 HH11 ARG A 33 5.513 11.747 1.926 1.00 0.00 H new ATOM 0 HH12 ARG A 33 5.945 13.440 2.187 1.00 0.00 H new ATOM 0 HH21 ARG A 33 9.320 13.006 1.269 1.00 0.00 H new ATOM 0 HH22 ARG A 33 8.088 14.149 1.817 1.00 0.00 H new ATOM 481 N LYS A 34 8.539 7.269 -3.577 1.00 0.00 N ATOM 482 CA LYS A 34 8.881 7.423 -4.986 1.00 0.00 C ATOM 483 C LYS A 34 7.650 7.872 -5.781 1.00 0.00 C ATOM 484 O LYS A 34 6.787 8.562 -5.241 1.00 0.00 O ATOM 485 CB LYS A 34 9.436 6.105 -5.533 1.00 0.00 C ATOM 486 CG LYS A 34 10.564 5.531 -4.690 1.00 0.00 C ATOM 487 CD LYS A 34 11.105 4.236 -5.274 1.00 0.00 C ATOM 488 CE LYS A 34 12.198 3.644 -4.398 1.00 0.00 C ATOM 489 NZ LYS A 34 13.354 4.570 -4.251 1.00 0.00 N ATOM 0 H LYS A 34 7.645 6.808 -3.408 1.00 0.00 H new ATOM 0 HA LYS A 34 9.649 8.189 -5.089 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.628 5.375 -5.592 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.796 6.264 -6.549 1.00 0.00 H new ATOM 0 HG2 LYS A 34 11.370 6.261 -4.617 1.00 0.00 H new ATOM 0 HG3 LYS A 34 10.205 5.350 -3.677 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.293 3.517 -5.381 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.499 4.423 -6.273 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.790 3.414 -3.414 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.539 2.703 -4.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.160 4.057 -3.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.621 4.943 -5.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 13.090 5.358 -3.626 1.00 0.00 H new ATOM 503 N THR A 35 7.566 7.489 -7.056 1.00 0.00 N ATOM 504 CA THR A 35 6.427 7.870 -7.888 1.00 0.00 C ATOM 505 C THR A 35 5.295 6.847 -7.752 1.00 0.00 C ATOM 506 O THR A 35 5.294 6.047 -6.820 1.00 0.00 O ATOM 507 CB THR A 35 6.840 8.001 -9.369 1.00 0.00 C ATOM 508 OG1 THR A 35 8.158 8.556 -9.459 1.00 0.00 O ATOM 509 CG2 THR A 35 5.870 8.899 -10.124 1.00 0.00 C ATOM 0 H THR A 35 8.267 6.920 -7.531 1.00 0.00 H new ATOM 0 HA THR A 35 6.072 8.841 -7.541 1.00 0.00 H new ATOM 0 HB THR A 35 6.823 7.007 -9.816 1.00 0.00 H new ATOM 0 HG1 THR A 35 8.416 8.635 -10.401 1.00 0.00 H new ATOM 0 HG21 THR A 35 6.181 8.976 -11.166 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.868 8.474 -10.076 1.00 0.00 H new ATOM 0 HG23 THR A 35 5.865 9.891 -9.672 1.00 0.00 H new ATOM 517 N LEU A 36 4.339 6.861 -8.682 1.00 0.00 N ATOM 518 CA LEU A 36 3.227 5.919 -8.639 1.00 0.00 C ATOM 519 C LEU A 36 3.662 4.555 -9.160 1.00 0.00 C ATOM 520 O LEU A 36 3.616 3.558 -8.440 1.00 0.00 O ATOM 521 CB LEU A 36 2.046 6.433 -9.471 1.00 0.00 C ATOM 522 CG LEU A 36 1.465 7.782 -9.044 1.00 0.00 C ATOM 523 CD1 LEU A 36 2.423 8.916 -9.375 1.00 0.00 C ATOM 524 CD2 LEU A 36 0.117 8.013 -9.711 1.00 0.00 C ATOM 0 H LEU A 36 4.315 7.511 -9.468 1.00 0.00 H new ATOM 0 HA LEU A 36 2.911 5.821 -7.600 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.365 6.509 -10.511 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.250 5.689 -9.435 1.00 0.00 H new ATOM 0 HG LEU A 36 1.322 7.764 -7.964 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.986 9.864 -9.061 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.366 8.760 -8.851 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.604 8.938 -10.450 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.284 8.977 -9.397 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.241 8.007 -10.794 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.573 7.221 -9.420 1.00 0.00 H new ATOM 536 N GLU A 37 4.084 4.528 -10.420 1.00 0.00 N ATOM 537 CA GLU A 37 4.532 3.297 -11.055 1.00 0.00 C ATOM 538 C GLU A 37 5.781 2.758 -10.370 1.00 0.00 C ATOM 539 O GLU A 37 5.953 1.549 -10.229 1.00 0.00 O ATOM 540 CB GLU A 37 4.813 3.538 -12.540 1.00 0.00 C ATOM 541 CG GLU A 37 5.890 4.580 -12.793 1.00 0.00 C ATOM 542 CD GLU A 37 6.155 4.798 -14.270 1.00 0.00 C ATOM 543 OE1 GLU A 37 5.212 5.191 -14.989 1.00 0.00 O ATOM 544 OE2 GLU A 37 7.304 4.577 -14.706 1.00 0.00 O ATOM 0 H GLU A 37 4.125 5.350 -11.023 1.00 0.00 H new ATOM 0 HA GLU A 37 3.738 2.556 -10.959 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.113 2.597 -13.002 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.892 3.854 -13.029 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.591 5.524 -12.338 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.813 4.269 -12.304 1.00 0.00 H new ATOM 551 N GLU A 38 6.654 3.669 -9.953 1.00 0.00 N ATOM 552 CA GLU A 38 7.894 3.288 -9.288 1.00 0.00 C ATOM 553 C GLU A 38 7.620 2.441 -8.046 1.00 0.00 C ATOM 554 O GLU A 38 8.152 1.341 -7.910 1.00 0.00 O ATOM 555 CB GLU A 38 8.694 4.533 -8.910 1.00 0.00 C ATOM 556 CG GLU A 38 9.978 4.222 -8.161 1.00 0.00 C ATOM 557 CD GLU A 38 10.919 3.337 -8.954 1.00 0.00 C ATOM 558 OE1 GLU A 38 10.526 2.200 -9.288 1.00 0.00 O ATOM 559 OE2 GLU A 38 12.050 3.784 -9.241 1.00 0.00 O ATOM 0 H GLU A 38 6.526 4.675 -10.064 1.00 0.00 H new ATOM 0 HA GLU A 38 8.478 2.686 -9.984 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.936 5.089 -9.816 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.072 5.182 -8.295 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.485 5.155 -7.914 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.734 3.733 -7.218 1.00 0.00 H new ATOM 566 N ASP A 39 6.785 2.952 -7.141 1.00 0.00 N ATOM 567 CA ASP A 39 6.451 2.219 -5.922 1.00 0.00 C ATOM 568 C ASP A 39 5.979 0.807 -6.256 1.00 0.00 C ATOM 569 O ASP A 39 6.355 -0.156 -5.588 1.00 0.00 O ATOM 570 CB ASP A 39 5.381 2.952 -5.109 1.00 0.00 C ATOM 571 CG ASP A 39 5.921 4.189 -4.418 1.00 0.00 C ATOM 572 OD1 ASP A 39 6.932 4.070 -3.694 1.00 0.00 O ATOM 573 OD2 ASP A 39 5.326 5.272 -4.585 1.00 0.00 O ATOM 0 H ASP A 39 6.332 3.862 -7.228 1.00 0.00 H new ATOM 0 HA ASP A 39 7.355 2.155 -5.317 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.561 3.237 -5.768 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.969 2.274 -4.362 1.00 0.00 H new ATOM 578 N VAL A 40 5.167 0.691 -7.303 1.00 0.00 N ATOM 579 CA VAL A 40 4.665 -0.613 -7.731 1.00 0.00 C ATOM 580 C VAL A 40 5.835 -1.516 -8.079 1.00 0.00 C ATOM 581 O VAL A 40 5.892 -2.676 -7.674 1.00 0.00 O ATOM 582 CB VAL A 40 3.758 -0.507 -8.972 1.00 0.00 C ATOM 583 CG1 VAL A 40 2.883 -1.744 -9.107 1.00 0.00 C ATOM 584 CG2 VAL A 40 2.921 0.756 -8.926 1.00 0.00 C ATOM 0 H VAL A 40 4.844 1.477 -7.867 1.00 0.00 H new ATOM 0 HA VAL A 40 4.081 -1.020 -6.906 1.00 0.00 H new ATOM 0 HB VAL A 40 4.395 -0.449 -9.855 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.251 -1.648 -9.990 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.514 -2.627 -9.207 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.256 -1.845 -8.221 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.290 0.807 -9.813 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.294 0.745 -8.035 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.577 1.626 -8.897 1.00 0.00 H new ATOM 594 N GLU A 41 6.769 -0.955 -8.836 1.00 0.00 N ATOM 595 CA GLU A 41 7.963 -1.680 -9.256 1.00 0.00 C ATOM 596 C GLU A 41 8.717 -2.233 -8.049 1.00 0.00 C ATOM 597 O GLU A 41 9.094 -3.405 -8.025 1.00 0.00 O ATOM 598 CB GLU A 41 8.877 -0.759 -10.068 1.00 0.00 C ATOM 599 CG GLU A 41 10.155 -1.427 -10.542 1.00 0.00 C ATOM 600 CD GLU A 41 9.892 -2.625 -11.432 1.00 0.00 C ATOM 601 OE1 GLU A 41 9.260 -2.449 -12.495 1.00 0.00 O ATOM 602 OE2 GLU A 41 10.320 -3.741 -11.066 1.00 0.00 O ATOM 0 H GLU A 41 6.723 0.006 -9.174 1.00 0.00 H new ATOM 0 HA GLU A 41 7.653 -2.518 -9.880 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.328 -0.390 -10.934 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.135 0.109 -9.461 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.760 -0.701 -11.086 1.00 0.00 H new ATOM 0 HG3 GLU A 41 10.738 -1.743 -9.677 1.00 0.00 H new ATOM 609 N ALA A 42 8.925 -1.387 -7.044 1.00 0.00 N ATOM 610 CA ALA A 42 9.623 -1.799 -5.833 1.00 0.00 C ATOM 611 C ALA A 42 8.808 -2.840 -5.074 1.00 0.00 C ATOM 612 O ALA A 42 9.345 -3.844 -4.603 1.00 0.00 O ATOM 613 CB ALA A 42 9.906 -0.593 -4.947 1.00 0.00 C ATOM 0 H ALA A 42 8.620 -0.414 -7.045 1.00 0.00 H new ATOM 0 HA ALA A 42 10.574 -2.249 -6.119 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.428 -0.917 -4.047 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.527 0.119 -5.490 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.966 -0.117 -4.670 1.00 0.00 H new ATOM 619 N LEU A 43 7.510 -2.588 -4.959 1.00 0.00 N ATOM 620 CA LEU A 43 6.606 -3.493 -4.260 1.00 0.00 C ATOM 621 C LEU A 43 6.533 -4.849 -4.953 1.00 0.00 C ATOM 622 O LEU A 43 6.689 -5.887 -4.310 1.00 0.00 O ATOM 623 CB LEU A 43 5.214 -2.866 -4.172 1.00 0.00 C ATOM 624 CG LEU A 43 5.106 -1.675 -3.218 1.00 0.00 C ATOM 625 CD1 LEU A 43 3.881 -0.833 -3.542 1.00 0.00 C ATOM 626 CD2 LEU A 43 5.052 -2.164 -1.777 1.00 0.00 C ATOM 0 H LEU A 43 7.057 -1.759 -5.344 1.00 0.00 H new ATOM 0 HA LEU A 43 6.994 -3.655 -3.254 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.912 -2.544 -5.169 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.505 -3.632 -3.857 1.00 0.00 H new ATOM 0 HG LEU A 43 5.989 -1.049 -3.344 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.825 0.008 -2.851 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.956 -0.459 -4.563 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.983 -1.444 -3.444 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.975 -1.309 -1.105 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.184 -2.809 -1.644 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.959 -2.724 -1.549 1.00 0.00 H new ATOM 638 N LEU A 44 6.306 -4.841 -6.261 1.00 0.00 N ATOM 639 CA LEU A 44 6.229 -6.084 -7.018 1.00 0.00 C ATOM 640 C LEU A 44 7.499 -6.900 -6.855 1.00 0.00 C ATOM 641 O LEU A 44 7.446 -8.086 -6.545 1.00 0.00 O ATOM 642 CB LEU A 44 5.975 -5.810 -8.500 1.00 0.00 C ATOM 643 CG LEU A 44 4.522 -5.517 -8.856 1.00 0.00 C ATOM 644 CD1 LEU A 44 4.380 -5.265 -10.349 1.00 0.00 C ATOM 645 CD2 LEU A 44 3.642 -6.678 -8.421 1.00 0.00 C ATOM 0 H LEU A 44 6.173 -3.995 -6.816 1.00 0.00 H new ATOM 0 HA LEU A 44 5.391 -6.657 -6.621 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.588 -4.963 -8.809 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.309 -6.672 -9.077 1.00 0.00 H new ATOM 0 HG LEU A 44 4.202 -4.618 -8.330 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.336 -5.058 -10.585 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.993 -4.410 -10.634 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.708 -6.147 -10.900 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.604 -6.464 -8.677 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.962 -7.587 -8.930 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.728 -6.816 -7.343 1.00 0.00 H new ATOM 657 N ASP A 45 8.642 -6.258 -7.056 1.00 0.00 N ATOM 658 CA ASP A 45 9.924 -6.937 -6.924 1.00 0.00 C ATOM 659 C ASP A 45 9.969 -7.759 -5.639 1.00 0.00 C ATOM 660 O ASP A 45 10.450 -8.892 -5.634 1.00 0.00 O ATOM 661 CB ASP A 45 11.067 -5.919 -6.934 1.00 0.00 C ATOM 662 CG ASP A 45 12.428 -6.577 -6.837 1.00 0.00 C ATOM 663 OD1 ASP A 45 12.765 -7.382 -7.730 1.00 0.00 O ATOM 664 OD2 ASP A 45 13.161 -6.285 -5.868 1.00 0.00 O ATOM 0 H ASP A 45 8.708 -5.272 -7.310 1.00 0.00 H new ATOM 0 HA ASP A 45 10.042 -7.612 -7.772 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.016 -5.329 -7.849 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.941 -5.227 -6.101 1.00 0.00 H new ATOM 669 N PHE A 46 9.457 -7.184 -4.555 1.00 0.00 N ATOM 670 CA PHE A 46 9.445 -7.871 -3.269 1.00 0.00 C ATOM 671 C PHE A 46 8.244 -8.808 -3.145 1.00 0.00 C ATOM 672 O PHE A 46 8.404 -10.004 -2.923 1.00 0.00 O ATOM 673 CB PHE A 46 9.428 -6.853 -2.127 1.00 0.00 C ATOM 674 CG PHE A 46 9.517 -7.480 -0.766 1.00 0.00 C ATOM 675 CD1 PHE A 46 10.438 -8.484 -0.510 1.00 0.00 C ATOM 676 CD2 PHE A 46 8.681 -7.066 0.260 1.00 0.00 C ATOM 677 CE1 PHE A 46 10.525 -9.062 0.742 1.00 0.00 C ATOM 678 CE2 PHE A 46 8.763 -7.641 1.514 1.00 0.00 C ATOM 679 CZ PHE A 46 9.686 -8.640 1.755 1.00 0.00 C ATOM 0 H PHE A 46 9.047 -6.250 -4.541 1.00 0.00 H new ATOM 0 HA PHE A 46 10.352 -8.473 -3.206 1.00 0.00 H new ATOM 0 HB2 PHE A 46 10.260 -6.161 -2.255 1.00 0.00 H new ATOM 0 HB3 PHE A 46 8.512 -6.265 -2.188 1.00 0.00 H new ATOM 0 HD1 PHE A 46 11.096 -8.818 -1.299 1.00 0.00 H new ATOM 0 HD2 PHE A 46 7.958 -6.285 0.077 1.00 0.00 H new ATOM 0 HE1 PHE A 46 11.248 -9.843 0.928 1.00 0.00 H new ATOM 0 HE2 PHE A 46 8.106 -7.310 2.305 1.00 0.00 H new ATOM 0 HZ PHE A 46 9.752 -9.091 2.734 1.00 0.00 H new ATOM 689 N VAL A 47 7.044 -8.254 -3.284 1.00 0.00 N ATOM 690 CA VAL A 47 5.818 -9.041 -3.174 1.00 0.00 C ATOM 691 C VAL A 47 5.804 -10.215 -4.153 1.00 0.00 C ATOM 692 O VAL A 47 5.479 -11.342 -3.781 1.00 0.00 O ATOM 693 CB VAL A 47 4.571 -8.163 -3.421 1.00 0.00 C ATOM 694 CG1 VAL A 47 3.294 -8.983 -3.299 1.00 0.00 C ATOM 695 CG2 VAL A 47 4.547 -6.988 -2.457 1.00 0.00 C ATOM 0 H VAL A 47 6.893 -7.263 -3.473 1.00 0.00 H new ATOM 0 HA VAL A 47 5.791 -9.434 -2.158 1.00 0.00 H new ATOM 0 HB VAL A 47 4.626 -7.775 -4.438 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.431 -8.341 -3.477 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.306 -9.787 -4.035 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.229 -9.408 -2.298 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.662 -6.381 -2.646 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.521 -7.359 -1.432 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.441 -6.381 -2.601 1.00 0.00 H new ATOM 705 N ARG A 48 6.140 -9.939 -5.406 1.00 0.00 N ATOM 706 CA ARG A 48 6.149 -10.965 -6.446 1.00 0.00 C ATOM 707 C ARG A 48 7.217 -12.033 -6.198 1.00 0.00 C ATOM 708 O ARG A 48 6.917 -13.227 -6.192 1.00 0.00 O ATOM 709 CB ARG A 48 6.360 -10.309 -7.815 1.00 0.00 C ATOM 710 CG ARG A 48 6.604 -11.293 -8.946 1.00 0.00 C ATOM 711 CD ARG A 48 5.541 -12.382 -8.985 1.00 0.00 C ATOM 712 NE ARG A 48 4.208 -11.845 -9.252 1.00 0.00 N ATOM 713 CZ ARG A 48 3.848 -11.292 -10.408 1.00 0.00 C ATOM 714 NH1 ARG A 48 4.706 -11.232 -11.421 1.00 0.00 N ATOM 715 NH2 ARG A 48 2.622 -10.811 -10.560 1.00 0.00 N ATOM 0 H ARG A 48 6.411 -9.011 -5.730 1.00 0.00 H new ATOM 0 HA ARG A 48 5.183 -11.469 -6.423 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.484 -9.706 -8.055 1.00 0.00 H new ATOM 0 HB3 ARG A 48 7.208 -9.628 -7.752 1.00 0.00 H new ATOM 0 HG2 ARG A 48 6.613 -10.760 -9.897 1.00 0.00 H new ATOM 0 HG3 ARG A 48 7.587 -11.748 -8.826 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.798 -13.110 -9.754 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.533 -12.913 -8.033 1.00 0.00 H new ATOM 0 HE ARG A 48 3.512 -11.897 -8.508 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.647 -11.611 -11.315 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.424 -10.807 -12.304 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.954 -10.865 -9.791 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.347 -10.387 -11.446 1.00 0.00 H new ATOM 729 N ARG A 49 8.462 -11.605 -6.021 1.00 0.00 N ATOM 730 CA ARG A 49 9.563 -12.540 -5.802 1.00 0.00 C ATOM 731 C ARG A 49 9.502 -13.194 -4.421 1.00 0.00 C ATOM 732 O ARG A 49 9.714 -14.399 -4.291 1.00 0.00 O ATOM 733 CB ARG A 49 10.897 -11.825 -5.996 1.00 0.00 C ATOM 734 CG ARG A 49 11.116 -11.347 -7.424 1.00 0.00 C ATOM 735 CD ARG A 49 11.423 -12.507 -8.359 1.00 0.00 C ATOM 736 NE ARG A 49 11.800 -12.055 -9.697 1.00 0.00 N ATOM 737 CZ ARG A 49 10.975 -11.421 -10.529 1.00 0.00 C ATOM 738 NH1 ARG A 49 9.714 -11.200 -10.187 1.00 0.00 N ATOM 739 NH2 ARG A 49 11.413 -11.018 -11.715 1.00 0.00 N ATOM 0 H ARG A 49 8.735 -10.622 -6.024 1.00 0.00 H new ATOM 0 HA ARG A 49 9.468 -13.339 -6.537 1.00 0.00 H new ATOM 0 HB2 ARG A 49 10.946 -10.970 -5.322 1.00 0.00 H new ATOM 0 HB3 ARG A 49 11.707 -12.498 -5.716 1.00 0.00 H new ATOM 0 HG2 ARG A 49 10.227 -10.822 -7.773 1.00 0.00 H new ATOM 0 HG3 ARG A 49 11.938 -10.632 -7.447 1.00 0.00 H new ATOM 0 HD2 ARG A 49 12.231 -13.106 -7.939 1.00 0.00 H new ATOM 0 HD3 ARG A 49 10.550 -13.155 -8.429 1.00 0.00 H new ATOM 0 HE ARG A 49 12.753 -12.236 -10.013 1.00 0.00 H new ATOM 0 HH11 ARG A 49 9.368 -11.516 -9.281 1.00 0.00 H new ATOM 0 HH12 ARG A 49 9.089 -10.714 -10.830 1.00 0.00 H new ATOM 0 HH21 ARG A 49 12.380 -11.194 -11.988 1.00 0.00 H new ATOM 0 HH22 ARG A 49 10.783 -10.532 -12.353 1.00 0.00 H new ATOM 753 N GLU A 50 9.216 -12.402 -3.394 1.00 0.00 N ATOM 754 CA GLU A 50 9.134 -12.923 -2.030 1.00 0.00 C ATOM 755 C GLU A 50 7.996 -13.932 -1.887 1.00 0.00 C ATOM 756 O GLU A 50 7.937 -14.675 -0.906 1.00 0.00 O ATOM 757 CB GLU A 50 8.944 -11.786 -1.024 1.00 0.00 C ATOM 758 CG GLU A 50 8.945 -12.248 0.426 1.00 0.00 C ATOM 759 CD GLU A 50 10.266 -12.867 0.844 1.00 0.00 C ATOM 760 OE1 GLU A 50 11.195 -12.910 0.011 1.00 0.00 O ATOM 761 OE2 GLU A 50 10.371 -13.305 2.010 1.00 0.00 O ATOM 0 H GLU A 50 9.037 -11.401 -3.476 1.00 0.00 H new ATOM 0 HA GLU A 50 10.075 -13.431 -1.820 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.738 -11.053 -1.163 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.002 -11.280 -1.234 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.726 -11.399 1.073 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.146 -12.975 0.572 1.00 0.00 H new ATOM 768 N GLY A 51 7.094 -13.958 -2.864 1.00 0.00 N ATOM 769 CA GLY A 51 5.976 -14.882 -2.816 1.00 0.00 C ATOM 770 C GLY A 51 5.058 -14.626 -1.638 1.00 0.00 C ATOM 771 O GLY A 51 4.579 -15.563 -0.999 1.00 0.00 O ATOM 0 H GLY A 51 7.118 -13.356 -3.687 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.405 -14.803 -3.741 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.355 -15.903 -2.761 1.00 0.00 H new ATOM 775 N LEU A 52 4.809 -13.353 -1.353 1.00 0.00 N ATOM 776 CA LEU A 52 3.937 -12.976 -0.247 1.00 0.00 C ATOM 777 C LEU A 52 2.493 -13.354 -0.551 1.00 0.00 C ATOM 778 O LEU A 52 1.802 -13.940 0.282 1.00 0.00 O ATOM 779 CB LEU A 52 4.037 -11.473 0.025 1.00 0.00 C ATOM 780 CG LEU A 52 5.436 -10.969 0.383 1.00 0.00 C ATOM 781 CD1 LEU A 52 5.417 -9.469 0.624 1.00 0.00 C ATOM 782 CD2 LEU A 52 5.968 -11.702 1.607 1.00 0.00 C ATOM 0 H LEU A 52 5.198 -12.566 -1.872 1.00 0.00 H new ATOM 0 HA LEU A 52 4.261 -13.517 0.642 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.689 -10.936 -0.858 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.358 -11.221 0.839 1.00 0.00 H new ATOM 0 HG LEU A 52 6.102 -11.172 -0.456 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.421 -9.128 0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.078 -8.960 -0.278 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.738 -9.241 1.446 1.00 0.00 H new ATOM 0 HD21 LEU A 52 6.964 -11.332 1.848 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.302 -11.529 2.452 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.019 -12.770 1.398 1.00 0.00 H new ATOM 794 N GLY A 53 2.045 -13.013 -1.754 1.00 0.00 N ATOM 795 CA GLY A 53 0.688 -13.321 -2.158 1.00 0.00 C ATOM 796 C GLY A 53 -0.348 -12.740 -1.216 1.00 0.00 C ATOM 797 O GLY A 53 -1.418 -13.318 -1.030 1.00 0.00 O ATOM 0 H GLY A 53 2.600 -12.527 -2.458 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.516 -12.936 -3.163 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.564 -14.403 -2.206 1.00 0.00 H new ATOM 801 N LYS A 54 -0.030 -11.590 -0.627 1.00 0.00 N ATOM 802 CA LYS A 54 -0.939 -10.920 0.297 1.00 0.00 C ATOM 803 C LYS A 54 -0.298 -9.654 0.850 1.00 0.00 C ATOM 804 O LYS A 54 0.845 -9.682 1.307 1.00 0.00 O ATOM 805 CB LYS A 54 -1.310 -11.848 1.453 1.00 0.00 C ATOM 806 CG LYS A 54 -2.445 -11.318 2.315 1.00 0.00 C ATOM 807 CD LYS A 54 -2.902 -12.350 3.334 1.00 0.00 C ATOM 808 CE LYS A 54 -1.805 -12.672 4.334 1.00 0.00 C ATOM 809 NZ LYS A 54 -2.227 -13.720 5.303 1.00 0.00 N ATOM 0 H LYS A 54 0.853 -11.102 -0.774 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.843 -10.655 -0.252 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.593 -12.821 1.051 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.432 -12.005 2.079 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.119 -10.415 2.832 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.285 -11.037 1.679 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.779 -11.977 3.863 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.205 -13.262 2.819 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.915 -13.007 3.801 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.530 -11.767 4.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.451 -13.911 5.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.061 -13.390 5.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.465 -14.592 4.789 1.00 0.00 H new ATOM 823 N LEU A 55 -1.029 -8.545 0.808 1.00 0.00 N ATOM 824 CA LEU A 55 -0.501 -7.281 1.306 1.00 0.00 C ATOM 825 C LEU A 55 -1.524 -6.530 2.153 1.00 0.00 C ATOM 826 O LEU A 55 -2.686 -6.387 1.771 1.00 0.00 O ATOM 827 CB LEU A 55 -0.046 -6.402 0.138 1.00 0.00 C ATOM 828 CG LEU A 55 0.971 -7.043 -0.812 1.00 0.00 C ATOM 829 CD1 LEU A 55 2.105 -7.697 -0.033 1.00 0.00 C ATOM 830 CD2 LEU A 55 0.288 -8.058 -1.721 1.00 0.00 C ATOM 0 H LEU A 55 -1.978 -8.495 0.438 1.00 0.00 H new ATOM 0 HA LEU A 55 0.352 -7.512 1.943 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.924 -6.112 -0.439 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.387 -5.487 0.542 1.00 0.00 H new ATOM 0 HG LEU A 55 1.398 -6.256 -1.434 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.814 -8.145 -0.729 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.614 -6.944 0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.700 -8.470 0.620 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.026 -8.503 -2.389 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.170 -8.839 -1.114 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.481 -7.559 -2.311 1.00 0.00 H new ATOM 842 N VAL A 56 -1.068 -6.041 3.302 1.00 0.00 N ATOM 843 CA VAL A 56 -1.916 -5.286 4.217 1.00 0.00 C ATOM 844 C VAL A 56 -1.355 -3.881 4.415 1.00 0.00 C ATOM 845 O VAL A 56 -0.148 -3.709 4.579 1.00 0.00 O ATOM 846 CB VAL A 56 -2.028 -5.987 5.589 1.00 0.00 C ATOM 847 CG1 VAL A 56 -0.666 -6.073 6.266 1.00 0.00 C ATOM 848 CG2 VAL A 56 -3.028 -5.263 6.478 1.00 0.00 C ATOM 0 H VAL A 56 -0.107 -6.156 3.623 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.910 -5.229 3.774 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.388 -7.003 5.425 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.770 -6.570 7.230 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.018 -6.642 5.636 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.270 -5.069 6.416 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.094 -5.771 7.440 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.700 -4.235 6.632 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.007 -5.264 6.000 1.00 0.00 H new ATOM 858 N VAL A 57 -2.225 -2.875 4.385 1.00 0.00 N ATOM 859 CA VAL A 57 -1.776 -1.494 4.548 1.00 0.00 C ATOM 860 C VAL A 57 -2.832 -0.624 5.224 1.00 0.00 C ATOM 861 O VAL A 57 -3.994 -0.609 4.820 1.00 0.00 O ATOM 862 CB VAL A 57 -1.410 -0.866 3.189 1.00 0.00 C ATOM 863 CG1 VAL A 57 -0.847 0.535 3.375 1.00 0.00 C ATOM 864 CG2 VAL A 57 -0.427 -1.751 2.440 1.00 0.00 C ATOM 0 H VAL A 57 -3.230 -2.986 4.252 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.893 -1.532 5.186 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.319 -0.786 2.593 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.596 0.958 2.402 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.591 1.164 3.863 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.050 0.488 3.993 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.180 -1.292 1.483 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.481 -1.868 3.031 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.876 -2.729 2.268 1.00 0.00 H new ATOM 874 N GLY A 58 -2.410 0.110 6.249 1.00 0.00 N ATOM 875 CA GLY A 58 -3.316 0.987 6.963 1.00 0.00 C ATOM 876 C GLY A 58 -3.271 2.410 6.441 1.00 0.00 C ATOM 877 O GLY A 58 -2.194 2.949 6.184 1.00 0.00 O ATOM 0 H GLY A 58 -1.452 0.112 6.598 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.333 0.603 6.877 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.062 0.983 8.023 1.00 0.00 H new ATOM 881 N LEU A 59 -4.441 3.021 6.286 1.00 0.00 N ATOM 882 CA LEU A 59 -4.534 4.392 5.789 1.00 0.00 C ATOM 883 C LEU A 59 -5.875 5.013 6.172 1.00 0.00 C ATOM 884 O LEU A 59 -6.913 4.354 6.098 1.00 0.00 O ATOM 885 CB LEU A 59 -4.380 4.426 4.268 1.00 0.00 C ATOM 886 CG LEU A 59 -3.020 3.972 3.731 1.00 0.00 C ATOM 887 CD1 LEU A 59 -3.023 3.976 2.210 1.00 0.00 C ATOM 888 CD2 LEU A 59 -1.908 4.862 4.267 1.00 0.00 C ATOM 0 H LEU A 59 -5.340 2.589 6.497 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.728 4.967 6.245 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.153 3.796 3.828 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.565 5.444 3.925 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.836 2.954 4.073 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.049 3.651 1.843 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.793 3.296 1.846 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.229 4.984 1.849 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.949 4.523 3.874 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.084 5.892 3.956 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.893 4.809 5.356 1.00 0.00 H new ATOM 900 N PRO A 60 -5.879 6.291 6.587 1.00 0.00 N ATOM 901 CA PRO A 60 -7.111 6.984 6.975 1.00 0.00 C ATOM 902 C PRO A 60 -8.133 7.018 5.842 1.00 0.00 C ATOM 903 O PRO A 60 -9.308 6.718 6.044 1.00 0.00 O ATOM 904 CB PRO A 60 -6.645 8.404 7.315 1.00 0.00 C ATOM 905 CG PRO A 60 -5.185 8.279 7.587 1.00 0.00 C ATOM 906 CD PRO A 60 -4.697 7.161 6.710 1.00 0.00 C ATOM 0 HA PRO A 60 -7.612 6.482 7.803 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -6.835 9.090 6.489 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -7.176 8.796 8.183 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -4.664 9.209 7.360 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -5.001 8.059 8.639 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -4.363 7.527 5.739 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.855 6.635 7.159 1.00 0.00 H new ATOM 914 N LEU A 61 -7.670 7.381 4.650 1.00 0.00 N ATOM 915 CA LEU A 61 -8.535 7.453 3.476 1.00 0.00 C ATOM 916 C LEU A 61 -9.641 8.486 3.669 1.00 0.00 C ATOM 917 O LEU A 61 -10.380 8.447 4.651 1.00 0.00 O ATOM 918 CB LEU A 61 -9.147 6.082 3.186 1.00 0.00 C ATOM 919 CG LEU A 61 -10.087 6.035 1.979 1.00 0.00 C ATOM 920 CD1 LEU A 61 -9.347 6.437 0.712 1.00 0.00 C ATOM 921 CD2 LEU A 61 -10.690 4.647 1.829 1.00 0.00 C ATOM 0 H LEU A 61 -6.697 7.631 4.471 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.925 7.761 2.627 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -8.340 5.367 3.027 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -9.696 5.752 4.068 1.00 0.00 H new ATOM 0 HG LEU A 61 -10.897 6.746 2.143 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -10.030 6.398 -0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.962 7.451 0.822 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -8.518 5.750 0.542 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -11.356 4.631 0.966 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -9.893 3.918 1.686 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -11.254 4.396 2.727 1.00 0.00 H new ATOM 933 N ARG A 62 -9.754 9.403 2.713 1.00 0.00 N ATOM 934 CA ARG A 62 -10.774 10.445 2.763 1.00 0.00 C ATOM 935 C ARG A 62 -12.142 9.878 2.396 1.00 0.00 C ATOM 936 O ARG A 62 -13.167 10.313 2.920 1.00 0.00 O ATOM 937 CB ARG A 62 -10.412 11.591 1.818 1.00 0.00 C ATOM 938 CG ARG A 62 -11.422 12.728 1.825 1.00 0.00 C ATOM 939 CD ARG A 62 -11.011 13.845 0.878 1.00 0.00 C ATOM 940 NE ARG A 62 -11.960 14.954 0.893 1.00 0.00 N ATOM 941 CZ ARG A 62 -12.167 15.743 1.946 1.00 0.00 C ATOM 942 NH1 ARG A 62 -11.459 15.579 3.057 1.00 0.00 N ATOM 943 NH2 ARG A 62 -13.074 16.708 1.883 1.00 0.00 N ATOM 0 H ARG A 62 -9.150 9.445 1.892 1.00 0.00 H new ATOM 0 HA ARG A 62 -10.819 10.829 3.782 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -9.434 11.984 2.095 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -10.324 11.201 0.804 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -12.402 12.347 1.537 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -11.519 13.124 2.836 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -10.023 14.210 1.156 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -10.931 13.450 -0.135 1.00 0.00 H new ATOM 0 HE ARG A 62 -12.497 15.136 0.045 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -10.752 14.846 3.108 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -11.622 16.186 3.860 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -13.613 16.846 1.028 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -13.233 17.312 2.689 1.00 0.00 H new ATOM 957 N THR A 63 -12.144 8.908 1.486 1.00 0.00 N ATOM 958 CA THR A 63 -13.377 8.275 1.031 1.00 0.00 C ATOM 959 C THR A 63 -14.217 9.243 0.202 1.00 0.00 C ATOM 960 O THR A 63 -14.519 10.351 0.641 1.00 0.00 O ATOM 961 CB THR A 63 -14.221 7.758 2.214 1.00 0.00 C ATOM 962 OG1 THR A 63 -13.443 6.860 3.015 1.00 0.00 O ATOM 963 CG2 THR A 63 -15.471 7.043 1.721 1.00 0.00 C ATOM 0 H THR A 63 -11.299 8.542 1.047 1.00 0.00 H new ATOM 0 HA THR A 63 -13.085 7.427 0.411 1.00 0.00 H new ATOM 0 HB THR A 63 -14.524 8.616 2.814 1.00 0.00 H new ATOM 0 HG1 THR A 63 -13.985 6.537 3.765 1.00 0.00 H new ATOM 0 HG21 THR A 63 -16.048 6.688 2.575 1.00 0.00 H new ATOM 0 HG22 THR A 63 -16.078 7.733 1.135 1.00 0.00 H new ATOM 0 HG23 THR A 63 -15.184 6.195 1.100 1.00 0.00 H new ATOM 971 N ASP A 64 -14.587 8.809 -0.999 1.00 0.00 N ATOM 972 CA ASP A 64 -15.389 9.624 -1.905 1.00 0.00 C ATOM 973 C ASP A 64 -15.628 8.887 -3.218 1.00 0.00 C ATOM 974 O ASP A 64 -14.723 8.248 -3.754 1.00 0.00 O ATOM 975 CB ASP A 64 -14.696 10.964 -2.177 1.00 0.00 C ATOM 976 CG ASP A 64 -15.509 11.863 -3.087 1.00 0.00 C ATOM 977 OD1 ASP A 64 -15.791 11.452 -4.232 1.00 0.00 O ATOM 978 OD2 ASP A 64 -15.865 12.980 -2.654 1.00 0.00 O ATOM 0 H ASP A 64 -14.342 7.891 -1.369 1.00 0.00 H new ATOM 0 HA ASP A 64 -16.351 9.815 -1.430 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -14.517 11.476 -1.231 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -13.721 10.780 -2.629 1.00 0.00 H new ATOM 983 N LEU A 65 -16.851 8.975 -3.733 1.00 0.00 N ATOM 984 CA LEU A 65 -17.199 8.308 -4.985 1.00 0.00 C ATOM 985 C LEU A 65 -16.269 8.744 -6.114 1.00 0.00 C ATOM 986 O LEU A 65 -15.615 7.915 -6.746 1.00 0.00 O ATOM 987 CB LEU A 65 -18.651 8.609 -5.361 1.00 0.00 C ATOM 988 CG LEU A 65 -19.693 8.156 -4.338 1.00 0.00 C ATOM 989 CD1 LEU A 65 -21.094 8.501 -4.817 1.00 0.00 C ATOM 990 CD2 LEU A 65 -19.570 6.662 -4.080 1.00 0.00 C ATOM 0 H LEU A 65 -17.615 9.499 -3.306 1.00 0.00 H new ATOM 0 HA LEU A 65 -17.083 7.234 -4.838 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -18.756 9.683 -5.512 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -18.870 8.130 -6.316 1.00 0.00 H new ATOM 0 HG LEU A 65 -19.510 8.683 -3.402 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -21.823 8.171 -4.077 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -21.177 9.579 -4.953 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -21.288 8.000 -5.765 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -20.319 6.356 -3.350 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -19.728 6.118 -5.011 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -18.575 6.440 -3.694 1.00 0.00 H new ATOM 1002 N LYS A 66 -16.210 10.048 -6.356 1.00 0.00 N ATOM 1003 CA LYS A 66 -15.353 10.592 -7.404 1.00 0.00 C ATOM 1004 C LYS A 66 -13.963 10.897 -6.858 1.00 0.00 C ATOM 1005 O LYS A 66 -13.823 11.534 -5.814 1.00 0.00 O ATOM 1006 CB LYS A 66 -15.968 11.862 -8.002 1.00 0.00 C ATOM 1007 CG LYS A 66 -17.256 11.623 -8.782 1.00 0.00 C ATOM 1008 CD LYS A 66 -18.392 11.152 -7.886 1.00 0.00 C ATOM 1009 CE LYS A 66 -18.690 12.155 -6.782 1.00 0.00 C ATOM 1010 NZ LYS A 66 -19.820 11.712 -5.917 1.00 0.00 N ATOM 0 H LYS A 66 -16.744 10.748 -5.842 1.00 0.00 H new ATOM 0 HA LYS A 66 -15.265 9.841 -8.189 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -16.169 12.569 -7.197 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -15.238 12.330 -8.662 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -17.550 12.544 -9.285 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -17.076 10.879 -9.558 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -19.288 10.995 -8.487 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -18.132 10.190 -7.444 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -17.799 12.297 -6.170 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -18.930 13.122 -7.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -20.500 12.491 -5.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -20.295 10.897 -6.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -19.455 11.438 -4.983 1.00 0.00 H new ATOM 1024 N GLU A 67 -12.935 10.442 -7.570 1.00 0.00 N ATOM 1025 CA GLU A 67 -11.556 10.673 -7.153 1.00 0.00 C ATOM 1026 C GLU A 67 -11.279 10.021 -5.800 1.00 0.00 C ATOM 1027 O GLU A 67 -12.154 9.960 -4.938 1.00 0.00 O ATOM 1028 CB GLU A 67 -11.266 12.174 -7.079 1.00 0.00 C ATOM 1029 CG GLU A 67 -9.840 12.499 -6.661 1.00 0.00 C ATOM 1030 CD GLU A 67 -9.580 13.990 -6.593 1.00 0.00 C ATOM 1031 OE1 GLU A 67 -9.722 14.667 -7.634 1.00 0.00 O ATOM 1032 OE2 GLU A 67 -9.234 14.484 -5.499 1.00 0.00 O ATOM 0 H GLU A 67 -13.031 9.912 -8.436 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.899 10.220 -7.895 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.461 12.622 -8.054 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.957 12.635 -6.373 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.640 12.054 -5.686 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.145 12.044 -7.367 1.00 0.00 H new ATOM 1039 N SER A 68 -10.055 9.535 -5.622 1.00 0.00 N ATOM 1040 CA SER A 68 -9.667 8.888 -4.374 1.00 0.00 C ATOM 1041 C SER A 68 -8.140 8.813 -4.260 1.00 0.00 C ATOM 1042 O SER A 68 -7.435 9.667 -4.794 1.00 0.00 O ATOM 1043 CB SER A 68 -10.288 7.490 -4.300 1.00 0.00 C ATOM 1044 OG SER A 68 -9.779 6.649 -5.320 1.00 0.00 O ATOM 0 H SER A 68 -9.316 9.577 -6.324 1.00 0.00 H new ATOM 0 HA SER A 68 -10.038 9.480 -3.537 1.00 0.00 H new ATOM 0 HB2 SER A 68 -10.082 7.049 -3.325 1.00 0.00 H new ATOM 0 HB3 SER A 68 -11.371 7.565 -4.394 1.00 0.00 H new ATOM 0 HG SER A 68 -10.191 5.762 -5.249 1.00 0.00 H new ATOM 1050 N ALA A 69 -7.632 7.797 -3.564 1.00 0.00 N ATOM 1051 CA ALA A 69 -6.192 7.638 -3.392 1.00 0.00 C ATOM 1052 C ALA A 69 -5.587 8.868 -2.720 1.00 0.00 C ATOM 1053 O ALA A 69 -4.503 9.321 -3.088 1.00 0.00 O ATOM 1054 CB ALA A 69 -5.529 7.379 -4.738 1.00 0.00 C ATOM 0 H ALA A 69 -8.194 7.076 -3.113 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.013 6.780 -2.744 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.454 7.262 -4.598 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.939 6.469 -5.176 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.718 8.220 -5.405 1.00 0.00 H new ATOM 1060 N GLN A 70 -6.300 9.405 -1.735 1.00 0.00 N ATOM 1061 CA GLN A 70 -5.840 10.585 -1.012 1.00 0.00 C ATOM 1062 C GLN A 70 -4.596 10.283 -0.194 1.00 0.00 C ATOM 1063 O GLN A 70 -4.562 9.335 0.590 1.00 0.00 O ATOM 1064 CB GLN A 70 -6.950 11.115 -0.103 1.00 0.00 C ATOM 1065 CG GLN A 70 -6.555 12.351 0.688 1.00 0.00 C ATOM 1066 CD GLN A 70 -6.180 13.520 -0.203 1.00 0.00 C ATOM 1067 OE1 GLN A 70 -5.246 13.432 -1.000 1.00 0.00 O ATOM 1068 NE2 GLN A 70 -6.908 14.623 -0.071 1.00 0.00 N ATOM 0 H GLN A 70 -7.199 9.041 -1.419 1.00 0.00 H new ATOM 0 HA GLN A 70 -5.584 11.348 -1.747 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -7.825 11.348 -0.710 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -7.245 10.329 0.592 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -7.382 12.643 1.335 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -5.713 12.109 1.337 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -7.673 14.651 0.603 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -6.702 15.442 -0.643 1.00 0.00 H new ATOM 1077 N ALA A 71 -3.583 11.114 -0.384 1.00 0.00 N ATOM 1078 CA ALA A 71 -2.325 10.975 0.327 1.00 0.00 C ATOM 1079 C ALA A 71 -1.652 9.638 0.035 1.00 0.00 C ATOM 1080 O ALA A 71 -2.294 8.588 0.042 1.00 0.00 O ATOM 1081 CB ALA A 71 -2.541 11.145 1.822 1.00 0.00 C ATOM 0 H ALA A 71 -3.611 11.900 -1.033 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.659 11.761 -0.028 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -1.589 11.038 2.342 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.953 12.134 2.020 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.236 10.385 2.178 1.00 0.00 H new ATOM 1087 N GLY A 72 -0.346 9.686 -0.211 1.00 0.00 N ATOM 1088 CA GLY A 72 0.409 8.479 -0.491 1.00 0.00 C ATOM 1089 C GLY A 72 -0.053 7.765 -1.746 1.00 0.00 C ATOM 1090 O GLY A 72 -1.247 7.532 -1.936 1.00 0.00 O ATOM 0 H GLY A 72 0.205 10.545 -0.221 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.464 8.733 -0.593 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.325 7.800 0.358 1.00 0.00 H new ATOM 1094 N LYS A 73 0.902 7.407 -2.598 1.00 0.00 N ATOM 1095 CA LYS A 73 0.606 6.703 -3.842 1.00 0.00 C ATOM 1096 C LYS A 73 0.552 5.192 -3.615 1.00 0.00 C ATOM 1097 O LYS A 73 1.179 4.422 -4.344 1.00 0.00 O ATOM 1098 CB LYS A 73 1.660 7.040 -4.900 1.00 0.00 C ATOM 1099 CG LYS A 73 1.597 8.480 -5.384 1.00 0.00 C ATOM 1100 CD LYS A 73 2.812 8.841 -6.224 1.00 0.00 C ATOM 1101 CE LYS A 73 4.073 8.887 -5.380 1.00 0.00 C ATOM 1102 NZ LYS A 73 3.960 9.869 -4.266 1.00 0.00 N ATOM 0 H LYS A 73 1.894 7.594 -2.449 1.00 0.00 H new ATOM 0 HA LYS A 73 -0.372 7.030 -4.196 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.651 6.847 -4.489 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.533 6.373 -5.753 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.691 8.628 -5.971 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.534 9.150 -4.527 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.934 8.110 -7.024 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.654 9.810 -6.698 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.273 7.896 -4.972 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.923 9.149 -6.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.909 10.098 -3.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.502 10.736 -4.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.390 9.460 -3.499 1.00 0.00 H new ATOM 1116 N VAL A 74 -0.196 4.776 -2.598 1.00 0.00 N ATOM 1117 CA VAL A 74 -0.331 3.360 -2.271 1.00 0.00 C ATOM 1118 C VAL A 74 -1.394 2.680 -3.134 1.00 0.00 C ATOM 1119 O VAL A 74 -1.242 1.520 -3.520 1.00 0.00 O ATOM 1120 CB VAL A 74 -0.688 3.166 -0.785 1.00 0.00 C ATOM 1121 CG1 VAL A 74 -0.744 1.688 -0.430 1.00 0.00 C ATOM 1122 CG2 VAL A 74 0.309 3.898 0.101 1.00 0.00 C ATOM 0 H VAL A 74 -0.719 5.401 -1.985 1.00 0.00 H new ATOM 0 HA VAL A 74 0.635 2.898 -2.475 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.677 3.590 -0.612 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.998 1.576 0.624 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.502 1.196 -1.040 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.227 1.231 -0.620 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.042 3.751 1.148 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.310 3.506 -0.077 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.290 4.963 -0.132 1.00 0.00 H new ATOM 1132 N LEU A 75 -2.473 3.401 -3.425 1.00 0.00 N ATOM 1133 CA LEU A 75 -3.567 2.862 -4.233 1.00 0.00 C ATOM 1134 C LEU A 75 -3.060 2.204 -5.520 1.00 0.00 C ATOM 1135 O LEU A 75 -3.480 1.097 -5.857 1.00 0.00 O ATOM 1136 CB LEU A 75 -4.573 3.966 -4.572 1.00 0.00 C ATOM 1137 CG LEU A 75 -5.757 3.520 -5.432 1.00 0.00 C ATOM 1138 CD1 LEU A 75 -6.550 2.433 -4.724 1.00 0.00 C ATOM 1139 CD2 LEU A 75 -6.648 4.706 -5.763 1.00 0.00 C ATOM 0 H LEU A 75 -2.615 4.362 -3.114 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.059 2.092 -3.639 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.957 4.385 -3.642 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.048 4.768 -5.091 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.372 3.109 -6.365 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.388 2.128 -5.350 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.905 1.574 -4.538 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.926 2.816 -3.776 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -7.486 4.372 -6.375 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.026 5.146 -4.840 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.072 5.452 -6.311 1.00 0.00 H new ATOM 1151 N PRO A 76 -2.153 2.869 -6.262 1.00 0.00 N ATOM 1152 CA PRO A 76 -1.605 2.331 -7.509 1.00 0.00 C ATOM 1153 C PRO A 76 -1.239 0.851 -7.408 1.00 0.00 C ATOM 1154 O PRO A 76 -1.344 0.110 -8.384 1.00 0.00 O ATOM 1155 CB PRO A 76 -0.354 3.178 -7.727 1.00 0.00 C ATOM 1156 CG PRO A 76 -0.690 4.495 -7.120 1.00 0.00 C ATOM 1157 CD PRO A 76 -1.592 4.200 -5.949 1.00 0.00 C ATOM 0 HA PRO A 76 -2.326 2.380 -8.325 1.00 0.00 H new ATOM 0 HB2 PRO A 76 0.517 2.731 -7.249 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -0.120 3.277 -8.787 1.00 0.00 H new ATOM 0 HG2 PRO A 76 0.211 5.016 -6.796 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -1.189 5.141 -7.843 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -1.038 4.190 -5.010 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -2.376 4.951 -5.849 1.00 0.00 H new ATOM 1165 N LEU A 77 -0.804 0.425 -6.227 1.00 0.00 N ATOM 1166 CA LEU A 77 -0.426 -0.968 -6.015 1.00 0.00 C ATOM 1167 C LEU A 77 -1.644 -1.838 -5.739 1.00 0.00 C ATOM 1168 O LEU A 77 -1.767 -2.935 -6.282 1.00 0.00 O ATOM 1169 CB LEU A 77 0.559 -1.098 -4.851 1.00 0.00 C ATOM 1170 CG LEU A 77 0.955 -2.538 -4.505 1.00 0.00 C ATOM 1171 CD1 LEU A 77 1.894 -3.105 -5.559 1.00 0.00 C ATOM 1172 CD2 LEU A 77 1.582 -2.611 -3.120 1.00 0.00 C ATOM 0 H LEU A 77 -0.705 1.021 -5.405 1.00 0.00 H new ATOM 0 HA LEU A 77 0.053 -1.311 -6.932 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.461 -0.535 -5.092 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.120 -0.634 -3.968 1.00 0.00 H new ATOM 0 HG LEU A 77 0.051 -3.146 -4.495 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.163 -4.128 -5.294 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.397 -3.100 -6.529 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.795 -2.494 -5.610 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.854 -3.643 -2.898 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.474 -1.986 -3.091 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.867 -2.257 -2.378 1.00 0.00 H new ATOM 1184 N VAL A 78 -2.533 -1.353 -4.881 1.00 0.00 N ATOM 1185 CA VAL A 78 -3.730 -2.101 -4.523 1.00 0.00 C ATOM 1186 C VAL A 78 -4.471 -2.587 -5.763 1.00 0.00 C ATOM 1187 O VAL A 78 -5.034 -3.682 -5.769 1.00 0.00 O ATOM 1188 CB VAL A 78 -4.685 -1.262 -3.656 1.00 0.00 C ATOM 1189 CG1 VAL A 78 -5.820 -2.129 -3.135 1.00 0.00 C ATOM 1190 CG2 VAL A 78 -3.932 -0.605 -2.508 1.00 0.00 C ATOM 0 H VAL A 78 -2.447 -0.447 -4.421 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.398 -2.963 -3.945 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.112 -0.471 -4.273 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.489 -1.524 -2.523 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.375 -2.546 -3.976 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.411 -2.940 -2.532 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.626 -0.017 -1.907 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.475 -1.374 -1.885 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.155 0.047 -2.908 1.00 0.00 H new ATOM 1200 N GLU A 79 -4.466 -1.773 -6.814 1.00 0.00 N ATOM 1201 CA GLU A 79 -5.139 -2.138 -8.055 1.00 0.00 C ATOM 1202 C GLU A 79 -4.421 -3.301 -8.730 1.00 0.00 C ATOM 1203 O GLU A 79 -5.056 -4.205 -9.273 1.00 0.00 O ATOM 1204 CB GLU A 79 -5.220 -0.940 -9.003 1.00 0.00 C ATOM 1205 CG GLU A 79 -3.877 -0.292 -9.288 1.00 0.00 C ATOM 1206 CD GLU A 79 -3.975 0.847 -10.285 1.00 0.00 C ATOM 1207 OE1 GLU A 79 -5.096 1.132 -10.757 1.00 0.00 O ATOM 1208 OE2 GLU A 79 -2.928 1.457 -10.594 1.00 0.00 O ATOM 0 H GLU A 79 -4.007 -0.862 -6.831 1.00 0.00 H new ATOM 0 HA GLU A 79 -6.154 -2.450 -7.811 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.664 -1.263 -9.945 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.889 -0.194 -8.574 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.454 0.082 -8.356 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.189 -1.046 -9.670 1.00 0.00 H new ATOM 1215 N ALA A 80 -3.093 -3.278 -8.679 1.00 0.00 N ATOM 1216 CA ALA A 80 -2.290 -4.338 -9.273 1.00 0.00 C ATOM 1217 C ALA A 80 -2.550 -5.662 -8.570 1.00 0.00 C ATOM 1218 O ALA A 80 -2.767 -6.692 -9.211 1.00 0.00 O ATOM 1219 CB ALA A 80 -0.810 -3.989 -9.194 1.00 0.00 C ATOM 0 H ALA A 80 -2.552 -2.537 -8.233 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.574 -4.437 -10.321 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.223 -4.791 -9.642 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.626 -3.060 -9.733 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.520 -3.866 -8.150 1.00 0.00 H new ATOM 1225 N LEU A 81 -2.519 -5.624 -7.243 1.00 0.00 N ATOM 1226 CA LEU A 81 -2.740 -6.810 -6.430 1.00 0.00 C ATOM 1227 C LEU A 81 -4.121 -7.405 -6.692 1.00 0.00 C ATOM 1228 O LEU A 81 -4.254 -8.599 -6.958 1.00 0.00 O ATOM 1229 CB LEU A 81 -2.598 -6.447 -4.951 1.00 0.00 C ATOM 1230 CG LEU A 81 -1.343 -5.641 -4.603 1.00 0.00 C ATOM 1231 CD1 LEU A 81 -1.267 -5.383 -3.104 1.00 0.00 C ATOM 1232 CD2 LEU A 81 -0.095 -6.357 -5.097 1.00 0.00 C ATOM 0 H LEU A 81 -2.341 -4.776 -6.705 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.994 -7.559 -6.697 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.475 -5.876 -4.646 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.596 -7.366 -4.365 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.402 -4.676 -5.107 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.368 -4.809 -2.879 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.145 -4.821 -2.787 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.233 -6.334 -2.572 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.787 -5.770 -4.841 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.027 -7.337 -4.626 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.149 -6.478 -6.179 1.00 0.00 H new ATOM 1244 N ARG A 82 -5.147 -6.562 -6.618 1.00 0.00 N ATOM 1245 CA ARG A 82 -6.521 -6.999 -6.850 1.00 0.00 C ATOM 1246 C ARG A 82 -6.671 -7.612 -8.240 1.00 0.00 C ATOM 1247 O ARG A 82 -7.308 -8.652 -8.406 1.00 0.00 O ATOM 1248 CB ARG A 82 -7.482 -5.817 -6.705 1.00 0.00 C ATOM 1249 CG ARG A 82 -7.520 -5.207 -5.309 1.00 0.00 C ATOM 1250 CD ARG A 82 -8.341 -6.048 -4.340 1.00 0.00 C ATOM 1251 NE ARG A 82 -7.688 -7.310 -3.997 1.00 0.00 N ATOM 1252 CZ ARG A 82 -8.251 -8.249 -3.238 1.00 0.00 C ATOM 1253 NH1 ARG A 82 -9.476 -8.078 -2.757 1.00 0.00 N ATOM 1254 NH2 ARG A 82 -7.588 -9.364 -2.961 1.00 0.00 N ATOM 0 H ARG A 82 -5.053 -5.570 -6.399 1.00 0.00 H new ATOM 0 HA ARG A 82 -6.764 -7.758 -6.106 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -7.199 -5.044 -7.419 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -8.486 -6.145 -6.973 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -6.503 -5.106 -4.930 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -7.941 -4.203 -5.364 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -8.519 -5.476 -3.429 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -9.316 -6.256 -4.781 1.00 0.00 H new ATOM 0 HE ARG A 82 -6.750 -7.481 -4.359 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -9.992 -7.224 -2.968 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -9.901 -8.801 -2.176 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -6.647 -9.503 -3.329 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -8.019 -10.083 -2.380 1.00 0.00 H new ATOM 1268 N ALA A 83 -6.082 -6.956 -9.232 1.00 0.00 N ATOM 1269 CA ALA A 83 -6.151 -7.426 -10.611 1.00 0.00 C ATOM 1270 C ALA A 83 -5.477 -8.784 -10.776 1.00 0.00 C ATOM 1271 O ALA A 83 -5.985 -9.657 -11.480 1.00 0.00 O ATOM 1272 CB ALA A 83 -5.518 -6.405 -11.544 1.00 0.00 C ATOM 0 H ALA A 83 -5.550 -6.095 -9.107 1.00 0.00 H new ATOM 0 HA ALA A 83 -7.203 -7.546 -10.871 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.575 -6.766 -12.571 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -6.051 -5.458 -11.462 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.474 -6.259 -11.268 1.00 0.00 H new ATOM 1278 N ARG A 84 -4.323 -8.957 -10.133 1.00 0.00 N ATOM 1279 CA ARG A 84 -3.581 -10.211 -10.223 1.00 0.00 C ATOM 1280 C ARG A 84 -4.095 -11.260 -9.234 1.00 0.00 C ATOM 1281 O ARG A 84 -3.423 -12.258 -8.976 1.00 0.00 O ATOM 1282 CB ARG A 84 -2.091 -9.956 -9.990 1.00 0.00 C ATOM 1283 CG ARG A 84 -1.477 -9.005 -11.005 1.00 0.00 C ATOM 1284 CD ARG A 84 0.002 -8.778 -10.741 1.00 0.00 C ATOM 1285 NE ARG A 84 0.603 -7.890 -11.734 1.00 0.00 N ATOM 1286 CZ ARG A 84 1.882 -7.523 -11.727 1.00 0.00 C ATOM 1287 NH1 ARG A 84 2.697 -7.957 -10.773 1.00 0.00 N ATOM 1288 NH2 ARG A 84 2.347 -6.721 -12.673 1.00 0.00 N ATOM 0 H ARG A 84 -3.884 -8.247 -9.547 1.00 0.00 H new ATOM 0 HA ARG A 84 -3.733 -10.608 -11.227 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -1.952 -9.547 -8.989 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.557 -10.906 -10.024 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.609 -9.409 -12.009 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.003 -8.051 -10.974 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.132 -8.351 -9.746 1.00 0.00 H new ATOM 0 HD3 ARG A 84 0.523 -9.735 -10.748 1.00 0.00 H new ATOM 0 HE ARG A 84 0.005 -7.530 -12.478 1.00 0.00 H new ATOM 0 HH11 ARG A 84 2.343 -8.574 -10.042 1.00 0.00 H new ATOM 0 HH12 ARG A 84 3.677 -7.673 -10.771 1.00 0.00 H new ATOM 0 HH21 ARG A 84 1.725 -6.384 -13.408 1.00 0.00 H new ATOM 0 HH22 ARG A 84 3.328 -6.440 -12.667 1.00 0.00 H new ATOM 1302 N GLY A 85 -5.288 -11.036 -8.686 1.00 0.00 N ATOM 1303 CA GLY A 85 -5.859 -11.979 -7.743 1.00 0.00 C ATOM 1304 C GLY A 85 -5.022 -12.119 -6.491 1.00 0.00 C ATOM 1305 O GLY A 85 -4.897 -13.209 -5.934 1.00 0.00 O ATOM 0 H GLY A 85 -5.867 -10.219 -8.879 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.863 -11.654 -7.471 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.958 -12.953 -8.222 1.00 0.00 H new ATOM 1309 N VAL A 86 -4.452 -11.007 -6.046 1.00 0.00 N ATOM 1310 CA VAL A 86 -3.626 -10.999 -4.845 1.00 0.00 C ATOM 1311 C VAL A 86 -4.423 -10.501 -3.643 1.00 0.00 C ATOM 1312 O VAL A 86 -5.102 -9.477 -3.720 1.00 0.00 O ATOM 1313 CB VAL A 86 -2.376 -10.116 -5.031 1.00 0.00 C ATOM 1314 CG1 VAL A 86 -1.499 -10.147 -3.786 1.00 0.00 C ATOM 1315 CG2 VAL A 86 -1.591 -10.558 -6.257 1.00 0.00 C ATOM 0 H VAL A 86 -4.546 -10.098 -6.499 1.00 0.00 H new ATOM 0 HA VAL A 86 -3.306 -12.025 -4.665 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.703 -9.088 -5.185 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.624 -9.517 -3.942 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.066 -9.776 -2.932 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.179 -11.171 -3.592 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.712 -9.924 -6.374 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.277 -11.595 -6.134 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.221 -10.472 -7.143 1.00 0.00 H new ATOM 1325 N GLU A 87 -4.338 -11.228 -2.532 1.00 0.00 N ATOM 1326 CA GLU A 87 -5.055 -10.855 -1.317 1.00 0.00 C ATOM 1327 C GLU A 87 -4.578 -9.504 -0.795 1.00 0.00 C ATOM 1328 O GLU A 87 -3.377 -9.251 -0.703 1.00 0.00 O ATOM 1329 CB GLU A 87 -4.869 -11.927 -0.240 1.00 0.00 C ATOM 1330 CG GLU A 87 -5.611 -11.629 1.053 1.00 0.00 C ATOM 1331 CD GLU A 87 -7.116 -11.572 0.868 1.00 0.00 C ATOM 1332 OE1 GLU A 87 -7.585 -11.792 -0.268 1.00 0.00 O ATOM 1333 OE2 GLU A 87 -7.825 -11.307 1.861 1.00 0.00 O ATOM 0 H GLU A 87 -3.780 -12.078 -2.448 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.114 -10.775 -1.561 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -5.210 -12.886 -0.631 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.806 -12.031 -0.023 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.369 -12.395 1.790 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.263 -10.678 1.455 1.00 0.00 H new ATOM 1340 N VAL A 88 -5.526 -8.636 -0.456 1.00 0.00 N ATOM 1341 CA VAL A 88 -5.201 -7.305 0.052 1.00 0.00 C ATOM 1342 C VAL A 88 -6.361 -6.731 0.859 1.00 0.00 C ATOM 1343 O VAL A 88 -7.525 -7.036 0.599 1.00 0.00 O ATOM 1344 CB VAL A 88 -4.858 -6.328 -1.093 1.00 0.00 C ATOM 1345 CG1 VAL A 88 -4.492 -4.956 -0.544 1.00 0.00 C ATOM 1346 CG2 VAL A 88 -3.728 -6.872 -1.948 1.00 0.00 C ATOM 0 H VAL A 88 -6.525 -8.829 -0.523 1.00 0.00 H new ATOM 0 HA VAL A 88 -4.328 -7.418 0.695 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.744 -6.223 -1.719 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.254 -4.285 -1.370 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.333 -4.553 0.020 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.626 -5.046 0.111 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.505 -6.166 -2.748 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.841 -7.014 -1.331 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.026 -7.827 -2.380 1.00 0.00 H new ATOM 1356 N GLU A 89 -6.033 -5.894 1.837 1.00 0.00 N ATOM 1357 CA GLU A 89 -7.045 -5.274 2.682 1.00 0.00 C ATOM 1358 C GLU A 89 -6.474 -4.078 3.435 1.00 0.00 C ATOM 1359 O GLU A 89 -5.441 -4.179 4.099 1.00 0.00 O ATOM 1360 CB GLU A 89 -7.605 -6.294 3.674 1.00 0.00 C ATOM 1361 CG GLU A 89 -6.553 -6.879 4.604 1.00 0.00 C ATOM 1362 CD GLU A 89 -7.130 -7.884 5.583 1.00 0.00 C ATOM 1363 OE1 GLU A 89 -8.354 -8.125 5.536 1.00 0.00 O ATOM 1364 OE2 GLU A 89 -6.355 -8.429 6.397 1.00 0.00 O ATOM 0 H GLU A 89 -5.074 -5.630 2.064 1.00 0.00 H new ATOM 0 HA GLU A 89 -7.850 -4.921 2.037 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.382 -5.818 4.272 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -8.080 -7.104 3.120 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -5.777 -7.361 4.010 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.075 -6.072 5.158 1.00 0.00 H new ATOM 1371 N LEU A 90 -7.157 -2.942 3.327 1.00 0.00 N ATOM 1372 CA LEU A 90 -6.723 -1.724 3.997 1.00 0.00 C ATOM 1373 C LEU A 90 -7.023 -1.794 5.491 1.00 0.00 C ATOM 1374 O LEU A 90 -8.163 -2.023 5.894 1.00 0.00 O ATOM 1375 CB LEU A 90 -7.412 -0.505 3.381 1.00 0.00 C ATOM 1376 CG LEU A 90 -7.156 -0.303 1.888 1.00 0.00 C ATOM 1377 CD1 LEU A 90 -7.896 0.925 1.380 1.00 0.00 C ATOM 1378 CD2 LEU A 90 -5.664 -0.178 1.617 1.00 0.00 C ATOM 0 H LEU A 90 -8.013 -2.841 2.782 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.646 -1.627 3.864 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.486 -0.595 3.541 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.084 0.387 3.914 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.532 -1.175 1.353 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.701 1.052 0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.966 0.797 1.541 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.551 1.807 1.920 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.499 -0.035 0.549 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.265 0.676 2.164 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.158 -1.086 1.944 1.00 0.00 H new ATOM 1390 N TRP A 91 -5.995 -1.592 6.308 1.00 0.00 N ATOM 1391 CA TRP A 91 -6.156 -1.630 7.756 1.00 0.00 C ATOM 1392 C TRP A 91 -6.803 -0.346 8.265 1.00 0.00 C ATOM 1393 O TRP A 91 -6.326 0.754 7.981 1.00 0.00 O ATOM 1394 CB TRP A 91 -4.800 -1.842 8.434 1.00 0.00 C ATOM 1395 CG TRP A 91 -4.879 -1.910 9.929 1.00 0.00 C ATOM 1396 CD1 TRP A 91 -4.095 -1.236 10.820 1.00 0.00 C ATOM 1397 CD2 TRP A 91 -5.786 -2.699 10.709 1.00 0.00 C ATOM 1398 NE1 TRP A 91 -4.461 -1.554 12.106 1.00 0.00 N ATOM 1399 CE2 TRP A 91 -5.496 -2.450 12.064 1.00 0.00 C ATOM 1400 CE3 TRP A 91 -6.816 -3.591 10.395 1.00 0.00 C ATOM 1401 CZ2 TRP A 91 -6.199 -3.059 13.101 1.00 0.00 C ATOM 1402 CZ3 TRP A 91 -7.513 -4.195 11.426 1.00 0.00 C ATOM 1403 CH2 TRP A 91 -7.202 -3.926 12.764 1.00 0.00 C ATOM 0 H TRP A 91 -5.044 -1.401 5.993 1.00 0.00 H new ATOM 0 HA TRP A 91 -6.811 -2.465 8.004 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -4.357 -2.765 8.060 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -4.131 -1.029 8.151 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -3.303 -0.552 10.553 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -4.032 -1.183 12.954 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -7.063 -3.805 9.366 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -5.961 -2.854 14.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -8.310 -4.886 11.195 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -7.765 -4.413 13.546 1.00 0.00 H new ATOM 1414 N ASP A 92 -7.888 -0.491 9.018 1.00 0.00 N ATOM 1415 CA ASP A 92 -8.596 0.661 9.565 1.00 0.00 C ATOM 1416 C ASP A 92 -7.770 1.318 10.675 1.00 0.00 C ATOM 1417 O ASP A 92 -6.541 1.269 10.648 1.00 0.00 O ATOM 1418 CB ASP A 92 -9.969 0.223 10.091 1.00 0.00 C ATOM 1419 CG ASP A 92 -9.863 -0.742 11.256 1.00 0.00 C ATOM 1420 OD1 ASP A 92 -9.273 -1.827 11.075 1.00 0.00 O ATOM 1421 OD2 ASP A 92 -10.370 -0.412 12.348 1.00 0.00 O ATOM 0 H ASP A 92 -8.296 -1.393 9.263 1.00 0.00 H new ATOM 0 HA ASP A 92 -8.744 1.398 8.775 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -10.533 1.102 10.402 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -10.531 -0.247 9.284 1.00 0.00 H new ATOM 1426 N GLU A 93 -8.441 1.929 11.654 1.00 0.00 N ATOM 1427 CA GLU A 93 -7.747 2.580 12.757 1.00 0.00 C ATOM 1428 C GLU A 93 -6.982 1.564 13.587 1.00 0.00 C ATOM 1429 O GLU A 93 -7.496 0.493 13.907 1.00 0.00 O ATOM 1430 CB GLU A 93 -8.740 3.342 13.639 1.00 0.00 C ATOM 1431 CG GLU A 93 -9.811 2.456 14.251 1.00 0.00 C ATOM 1432 CD GLU A 93 -10.787 3.230 15.119 1.00 0.00 C ATOM 1433 OE1 GLU A 93 -10.624 4.462 15.243 1.00 0.00 O ATOM 1434 OE2 GLU A 93 -11.713 2.603 15.675 1.00 0.00 O ATOM 0 H GLU A 93 -9.458 1.984 11.702 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.034 3.290 12.338 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -8.194 3.843 14.438 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -9.219 4.120 13.044 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -10.359 1.953 13.454 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -9.336 1.679 14.850 1.00 0.00 H new ATOM 1441 N ARG A 94 -5.746 1.905 13.923 1.00 0.00 N ATOM 1442 CA ARG A 94 -4.906 1.016 14.707 1.00 0.00 C ATOM 1443 C ARG A 94 -5.501 0.783 16.093 1.00 0.00 C ATOM 1444 O ARG A 94 -5.730 -0.357 16.497 1.00 0.00 O ATOM 1445 CB ARG A 94 -3.494 1.590 14.829 1.00 0.00 C ATOM 1446 CG ARG A 94 -2.538 0.694 15.602 1.00 0.00 C ATOM 1447 CD ARG A 94 -1.152 1.312 15.696 1.00 0.00 C ATOM 1448 NE ARG A 94 -0.206 0.439 16.390 1.00 0.00 N ATOM 1449 CZ ARG A 94 0.203 -0.736 15.918 1.00 0.00 C ATOM 1450 NH1 ARG A 94 -0.206 -1.163 14.730 1.00 0.00 N ATOM 1451 NH2 ARG A 94 1.039 -1.480 16.630 1.00 0.00 N ATOM 0 H ARG A 94 -5.305 2.788 13.665 1.00 0.00 H new ATOM 0 HA ARG A 94 -4.855 0.057 14.192 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -3.092 1.760 13.830 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -3.547 2.561 15.321 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -2.930 0.521 16.604 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -2.472 -0.278 15.113 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -0.781 1.523 14.693 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -1.216 2.266 16.220 1.00 0.00 H new ATOM 0 HE ARG A 94 0.162 0.749 17.289 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -0.838 -0.589 14.172 1.00 0.00 H new ATOM 0 HH12 ARG A 94 0.112 -2.065 14.375 1.00 0.00 H new ATOM 0 HH21 ARG A 94 1.367 -1.151 17.538 1.00 0.00 H new ATOM 0 HH22 ARG A 94 1.353 -2.381 16.270 1.00 0.00 H new ATOM 1465 N PHE A 95 -5.753 1.870 16.812 1.00 0.00 N ATOM 1466 CA PHE A 95 -6.325 1.787 18.150 1.00 0.00 C ATOM 1467 C PHE A 95 -7.847 1.703 18.086 1.00 0.00 C ATOM 1468 O PHE A 95 -8.483 2.408 17.302 1.00 0.00 O ATOM 1469 CB PHE A 95 -5.902 2.997 18.987 1.00 0.00 C ATOM 1470 CG PHE A 95 -6.420 2.960 20.397 1.00 0.00 C ATOM 1471 CD1 PHE A 95 -6.346 1.796 21.146 1.00 0.00 C ATOM 1472 CD2 PHE A 95 -6.976 4.089 20.975 1.00 0.00 C ATOM 1473 CE1 PHE A 95 -6.820 1.758 22.443 1.00 0.00 C ATOM 1474 CE2 PHE A 95 -7.452 4.058 22.272 1.00 0.00 C ATOM 1475 CZ PHE A 95 -7.374 2.891 23.007 1.00 0.00 C ATOM 0 H PHE A 95 -5.570 2.820 16.490 1.00 0.00 H new ATOM 0 HA PHE A 95 -5.949 0.880 18.623 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -4.814 3.051 19.009 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -6.256 3.906 18.502 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -5.912 0.908 20.710 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -7.038 5.004 20.405 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -6.758 0.844 23.015 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -7.884 4.945 22.710 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.745 2.864 24.021 1.00 0.00 H new ATOM 1485 N THR A 96 -8.427 0.842 18.914 1.00 0.00 N ATOM 1486 CA THR A 96 -9.874 0.674 18.948 1.00 0.00 C ATOM 1487 C THR A 96 -10.294 -0.297 20.045 1.00 0.00 C ATOM 1488 O THR A 96 -9.769 -1.406 20.141 1.00 0.00 O ATOM 1489 CB THR A 96 -10.412 0.169 17.597 1.00 0.00 C ATOM 1490 OG1 THR A 96 -11.836 0.015 17.661 1.00 0.00 O ATOM 1491 CG2 THR A 96 -9.771 -1.160 17.223 1.00 0.00 C ATOM 0 H THR A 96 -7.918 0.250 19.570 1.00 0.00 H new ATOM 0 HA THR A 96 -10.299 1.656 19.157 1.00 0.00 H new ATOM 0 HB THR A 96 -10.161 0.905 16.834 1.00 0.00 H new ATOM 0 HG1 THR A 96 -12.170 -0.305 16.797 1.00 0.00 H new ATOM 0 HG21 THR A 96 -10.166 -1.498 16.265 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.691 -1.034 17.146 1.00 0.00 H new ATOM 0 HG23 THR A 96 -9.996 -1.901 17.990 1.00 0.00 H new ATOM 1499 N THR A 97 -11.247 0.127 20.868 1.00 0.00 N ATOM 1500 CA THR A 97 -11.744 -0.704 21.959 1.00 0.00 C ATOM 1501 C THR A 97 -12.585 -1.860 21.428 1.00 0.00 C ATOM 1502 O THR A 97 -13.415 -1.678 20.537 1.00 0.00 O ATOM 1503 CB THR A 97 -12.587 0.122 22.952 1.00 0.00 C ATOM 1504 OG1 THR A 97 -11.814 1.213 23.461 1.00 0.00 O ATOM 1505 CG2 THR A 97 -13.068 -0.743 24.109 1.00 0.00 C ATOM 0 H THR A 97 -11.691 1.043 20.800 1.00 0.00 H new ATOM 0 HA THR A 97 -10.873 -1.103 22.479 1.00 0.00 H new ATOM 0 HB THR A 97 -13.457 0.507 22.420 1.00 0.00 H new ATOM 0 HG1 THR A 97 -12.357 1.733 24.089 1.00 0.00 H new ATOM 0 HG21 THR A 97 -13.660 -0.137 24.795 1.00 0.00 H new ATOM 0 HG22 THR A 97 -13.681 -1.558 23.724 1.00 0.00 H new ATOM 0 HG23 THR A 97 -12.208 -1.154 24.638 1.00 0.00 H new ATOM 1513 N LYS A 98 -12.366 -3.049 21.980 1.00 0.00 N ATOM 1514 CA LYS A 98 -13.106 -4.233 21.562 1.00 0.00 C ATOM 1515 C LYS A 98 -14.603 -4.046 21.790 1.00 0.00 C ATOM 1516 O LYS A 98 -15.420 -4.818 21.287 1.00 0.00 O ATOM 1517 CB LYS A 98 -12.610 -5.465 22.323 1.00 0.00 C ATOM 1518 CG LYS A 98 -13.348 -6.744 21.958 1.00 0.00 C ATOM 1519 CD LYS A 98 -13.218 -7.059 20.475 1.00 0.00 C ATOM 1520 CE LYS A 98 -13.966 -8.332 20.110 1.00 0.00 C ATOM 1521 NZ LYS A 98 -13.849 -8.645 18.658 1.00 0.00 N ATOM 0 H LYS A 98 -11.682 -3.218 22.718 1.00 0.00 H new ATOM 0 HA LYS A 98 -12.935 -4.382 20.496 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -11.547 -5.600 22.125 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -12.715 -5.287 23.393 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -12.952 -7.574 22.543 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -14.402 -6.644 22.219 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -13.607 -6.226 19.889 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -12.165 -7.167 20.215 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -13.574 -9.164 20.694 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -15.018 -8.224 20.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -14.372 -9.519 18.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -14.246 -7.862 18.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -12.847 -8.773 18.410 1.00 0.00 H new TER 1535 LYS A 98