USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 398 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= -0.0272 X(o=-0.027,f=-0.057) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 132 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 88 10.821 11.972 -0.350 1.00 0.00 N ATOM 2 CA ILE A 88 10.683 11.145 0.841 1.00 0.00 C ATOM 3 C ILE A 88 11.617 9.940 0.786 1.00 0.00 C ATOM 4 O ILE A 88 12.158 9.610 -0.269 1.00 0.00 O ATOM 5 CB ILE A 88 9.236 10.651 1.019 1.00 0.00 C ATOM 6 CG1 ILE A 88 8.741 9.982 -0.264 1.00 0.00 C ATOM 7 CG2 ILE A 88 8.325 11.807 1.405 1.00 0.00 C ATOM 8 CD1 ILE A 88 7.516 9.118 -0.062 1.00 0.00 C ATOM 0 HA ILE A 88 10.952 11.771 1.692 1.00 0.00 H new ATOM 0 HB ILE A 88 9.216 9.914 1.822 1.00 0.00 H new ATOM 0 HG12 ILE A 88 8.515 10.752 -1.001 1.00 0.00 H new ATOM 0 HG13 ILE A 88 9.543 9.370 -0.678 1.00 0.00 H new ATOM 0 HG21 ILE A 88 7.305 11.442 1.527 1.00 0.00 H new ATOM 0 HG22 ILE A 88 8.669 12.244 2.343 1.00 0.00 H new ATOM 0 HG23 ILE A 88 8.347 12.565 0.622 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.222 8.676 -1.014 1.00 0.00 H new ATOM 0 HD12 ILE A 88 7.743 8.326 0.651 1.00 0.00 H new ATOM 0 HD13 ILE A 88 6.699 9.729 0.322 1.00 0.00 H new ATOM 20 N ASP A 89 11.799 9.287 1.928 1.00 0.00 N ATOM 21 CA ASP A 89 12.665 8.116 2.009 1.00 0.00 C ATOM 22 C ASP A 89 12.085 6.955 1.207 1.00 0.00 C ATOM 23 O ASP A 89 10.996 6.464 1.505 1.00 0.00 O ATOM 24 CB ASP A 89 12.858 7.699 3.467 1.00 0.00 C ATOM 25 CG ASP A 89 13.217 8.869 4.362 1.00 0.00 C ATOM 26 OD1 ASP A 89 13.735 9.879 3.839 1.00 0.00 O ATOM 27 OD2 ASP A 89 12.978 8.776 5.584 1.00 0.00 O ATOM 0 H ASP A 89 11.359 9.548 2.810 1.00 0.00 H new ATOM 0 HA ASP A 89 13.633 8.380 1.583 1.00 0.00 H new ATOM 0 HB2 ASP A 89 11.943 7.233 3.833 1.00 0.00 H new ATOM 0 HB3 ASP A 89 13.644 6.946 3.525 1.00 0.00 H new ATOM 32 N VAL A 90 12.819 6.521 0.189 1.00 0.00 N ATOM 33 CA VAL A 90 12.379 5.418 -0.657 1.00 0.00 C ATOM 34 C VAL A 90 12.181 4.145 0.160 1.00 0.00 C ATOM 35 O VAL A 90 11.220 3.403 -0.049 1.00 0.00 O ATOM 36 CB VAL A 90 13.387 5.138 -1.786 1.00 0.00 C ATOM 37 CG1 VAL A 90 12.894 4.007 -2.675 1.00 0.00 C ATOM 38 CG2 VAL A 90 13.636 6.398 -2.601 1.00 0.00 C ATOM 0 H VAL A 90 13.723 6.917 -0.071 1.00 0.00 H new ATOM 0 HA VAL A 90 11.428 5.717 -1.097 1.00 0.00 H new ATOM 0 HB VAL A 90 14.331 4.829 -1.338 1.00 0.00 H new ATOM 0 HG11 VAL A 90 13.620 3.824 -3.467 1.00 0.00 H new ATOM 0 HG12 VAL A 90 12.771 3.103 -2.079 1.00 0.00 H new ATOM 0 HG13 VAL A 90 11.937 4.283 -3.117 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.351 6.182 -3.395 1.00 0.00 H new ATOM 0 HG22 VAL A 90 12.698 6.739 -3.040 1.00 0.00 H new ATOM 0 HG23 VAL A 90 14.037 7.177 -1.953 1.00 0.00 H new ATOM 48 N LEU A 91 13.095 3.899 1.091 1.00 0.00 N ATOM 49 CA LEU A 91 13.022 2.715 1.941 1.00 0.00 C ATOM 50 C LEU A 91 11.694 2.664 2.689 1.00 0.00 C ATOM 51 O LEU A 91 11.056 1.615 2.770 1.00 0.00 O ATOM 52 CB LEU A 91 14.183 2.706 2.936 1.00 0.00 C ATOM 53 CG LEU A 91 14.415 1.392 3.684 1.00 0.00 C ATOM 54 CD1 LEU A 91 15.440 0.537 2.956 1.00 0.00 C ATOM 55 CD2 LEU A 91 14.863 1.664 5.113 1.00 0.00 C ATOM 0 H LEU A 91 13.896 4.503 1.277 1.00 0.00 H new ATOM 0 HA LEU A 91 13.092 1.834 1.303 1.00 0.00 H new ATOM 0 HB2 LEU A 91 15.097 2.962 2.400 1.00 0.00 H new ATOM 0 HB3 LEU A 91 14.013 3.494 3.670 1.00 0.00 H new ATOM 0 HG LEU A 91 13.473 0.844 3.717 1.00 0.00 H new ATOM 0 HD11 LEU A 91 15.592 -0.394 3.503 1.00 0.00 H new ATOM 0 HD12 LEU A 91 15.080 0.313 1.952 1.00 0.00 H new ATOM 0 HD13 LEU A 91 16.384 1.078 2.891 1.00 0.00 H new ATOM 0 HD21 LEU A 91 15.023 0.718 5.630 1.00 0.00 H new ATOM 0 HD22 LEU A 91 15.793 2.233 5.101 1.00 0.00 H new ATOM 0 HD23 LEU A 91 14.094 2.236 5.633 1.00 0.00 H new ATOM 67 N ARG A 92 11.284 3.805 3.234 1.00 0.00 N ATOM 68 CA ARG A 92 10.032 3.891 3.976 1.00 0.00 C ATOM 69 C ARG A 92 8.846 3.534 3.084 1.00 0.00 C ATOM 70 O ARG A 92 8.046 2.661 3.418 1.00 0.00 O ATOM 71 CB ARG A 92 9.849 5.298 4.548 1.00 0.00 C ATOM 72 CG ARG A 92 10.742 5.591 5.742 1.00 0.00 C ATOM 73 CD ARG A 92 10.096 5.143 7.044 1.00 0.00 C ATOM 74 NE ARG A 92 11.035 4.423 7.901 1.00 0.00 N ATOM 75 CZ ARG A 92 11.963 5.020 8.640 1.00 0.00 C ATOM 76 NH1 ARG A 92 12.076 6.341 8.628 1.00 0.00 N ATOM 77 NH2 ARG A 92 12.780 4.296 9.395 1.00 0.00 N ATOM 0 H ARG A 92 11.801 4.682 3.176 1.00 0.00 H new ATOM 0 HA ARG A 92 10.075 3.176 4.797 1.00 0.00 H new ATOM 0 HB2 ARG A 92 10.052 6.029 3.765 1.00 0.00 H new ATOM 0 HB3 ARG A 92 8.808 5.428 4.843 1.00 0.00 H new ATOM 0 HG2 ARG A 92 11.698 5.084 5.616 1.00 0.00 H new ATOM 0 HG3 ARG A 92 10.952 6.660 5.787 1.00 0.00 H new ATOM 0 HD2 ARG A 92 9.713 6.013 7.577 1.00 0.00 H new ATOM 0 HD3 ARG A 92 9.242 4.503 6.824 1.00 0.00 H new ATOM 0 HE ARG A 92 10.974 3.405 7.934 1.00 0.00 H new ATOM 0 HH11 ARG A 92 11.449 6.901 8.050 1.00 0.00 H new ATOM 0 HH12 ARG A 92 12.790 6.797 9.197 1.00 0.00 H new ATOM 0 HH21 ARG A 92 12.696 3.280 9.408 1.00 0.00 H new ATOM 0 HH22 ARG A 92 13.492 4.756 9.962 1.00 0.00 H new ATOM 91 N ALA A 93 8.740 4.217 1.948 1.00 0.00 N ATOM 92 CA ALA A 93 7.654 3.972 1.008 1.00 0.00 C ATOM 93 C ALA A 93 7.596 2.501 0.608 1.00 0.00 C ATOM 94 O ALA A 93 6.532 1.881 0.635 1.00 0.00 O ATOM 95 CB ALA A 93 7.814 4.850 -0.224 1.00 0.00 C ATOM 0 H ALA A 93 9.393 4.944 1.657 1.00 0.00 H new ATOM 0 HA ALA A 93 6.715 4.225 1.501 1.00 0.00 H new ATOM 0 HB1 ALA A 93 6.996 4.656 -0.918 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.798 5.899 0.072 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.763 4.625 -0.711 1.00 0.00 H new ATOM 101 N LYS A 94 8.745 1.948 0.237 1.00 0.00 N ATOM 102 CA LYS A 94 8.826 0.550 -0.169 1.00 0.00 C ATOM 103 C LYS A 94 8.215 -0.360 0.892 1.00 0.00 C ATOM 104 O LYS A 94 7.496 -1.306 0.573 1.00 0.00 O ATOM 105 CB LYS A 94 10.282 0.153 -0.419 1.00 0.00 C ATOM 106 CG LYS A 94 10.435 -1.155 -1.176 1.00 0.00 C ATOM 107 CD LYS A 94 11.648 -1.131 -2.091 1.00 0.00 C ATOM 108 CE LYS A 94 12.342 -2.484 -2.132 1.00 0.00 C ATOM 109 NZ LYS A 94 13.806 -2.349 -2.369 1.00 0.00 N ATOM 0 H LYS A 94 9.634 2.447 0.209 1.00 0.00 H new ATOM 0 HA LYS A 94 8.261 0.433 -1.093 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.775 0.947 -0.980 1.00 0.00 H new ATOM 0 HB3 LYS A 94 10.797 0.071 0.538 1.00 0.00 H new ATOM 0 HG2 LYS A 94 10.529 -1.978 -0.467 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.537 -1.343 -1.765 1.00 0.00 H new ATOM 0 HD2 LYS A 94 11.340 -0.848 -3.098 1.00 0.00 H new ATOM 0 HD3 LYS A 94 12.350 -0.371 -1.747 1.00 0.00 H new ATOM 0 HE2 LYS A 94 12.173 -3.008 -1.191 1.00 0.00 H new ATOM 0 HE3 LYS A 94 11.901 -3.095 -2.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 14.243 -3.293 -2.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 13.968 -1.872 -3.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 14.231 -1.788 -1.604 1.00 0.00 H new ATOM 123 N ALA A 95 8.506 -0.067 2.155 1.00 0.00 N ATOM 124 CA ALA A 95 7.983 -0.857 3.263 1.00 0.00 C ATOM 125 C ALA A 95 6.461 -0.787 3.316 1.00 0.00 C ATOM 126 O ALA A 95 5.785 -1.814 3.381 1.00 0.00 O ATOM 127 CB ALA A 95 8.581 -0.382 4.579 1.00 0.00 C ATOM 0 H ALA A 95 9.101 0.712 2.437 1.00 0.00 H new ATOM 0 HA ALA A 95 8.268 -1.897 3.102 1.00 0.00 H new ATOM 0 HB1 ALA A 95 8.181 -0.981 5.397 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.665 -0.490 4.546 1.00 0.00 H new ATOM 0 HB3 ALA A 95 8.325 0.666 4.738 1.00 0.00 H new ATOM 133 N ALA A 96 5.927 0.430 3.288 1.00 0.00 N ATOM 134 CA ALA A 96 4.485 0.633 3.332 1.00 0.00 C ATOM 135 C ALA A 96 3.790 -0.119 2.202 1.00 0.00 C ATOM 136 O ALA A 96 2.741 -0.732 2.401 1.00 0.00 O ATOM 137 CB ALA A 96 4.158 2.117 3.260 1.00 0.00 C ATOM 0 H ALA A 96 6.472 1.290 3.235 1.00 0.00 H new ATOM 0 HA ALA A 96 4.116 0.237 4.278 1.00 0.00 H new ATOM 0 HB1 ALA A 96 3.077 2.253 3.294 1.00 0.00 H new ATOM 0 HB2 ALA A 96 4.615 2.632 4.105 1.00 0.00 H new ATOM 0 HB3 ALA A 96 4.547 2.531 2.330 1.00 0.00 H new ATOM 143 N LYS A 97 4.381 -0.068 1.013 1.00 0.00 N ATOM 144 CA LYS A 97 3.820 -0.745 -0.150 1.00 0.00 C ATOM 145 C LYS A 97 3.736 -2.250 0.084 1.00 0.00 C ATOM 146 O LYS A 97 2.768 -2.895 -0.315 1.00 0.00 O ATOM 147 CB LYS A 97 4.668 -0.457 -1.391 1.00 0.00 C ATOM 148 CG LYS A 97 3.869 0.094 -2.560 1.00 0.00 C ATOM 149 CD LYS A 97 3.653 -0.960 -3.632 1.00 0.00 C ATOM 150 CE LYS A 97 2.319 -0.771 -4.339 1.00 0.00 C ATOM 151 NZ LYS A 97 2.473 -0.749 -5.820 1.00 0.00 N ATOM 0 H LYS A 97 5.249 0.436 0.830 1.00 0.00 H new ATOM 0 HA LYS A 97 2.811 -0.364 -0.310 1.00 0.00 H new ATOM 0 HB2 LYS A 97 5.450 0.255 -1.129 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.165 -1.376 -1.702 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.904 0.456 -2.204 1.00 0.00 H new ATOM 0 HG3 LYS A 97 4.392 0.949 -2.989 1.00 0.00 H new ATOM 0 HD2 LYS A 97 4.462 -0.911 -4.361 1.00 0.00 H new ATOM 0 HD3 LYS A 97 3.690 -1.952 -3.181 1.00 0.00 H new ATOM 0 HE2 LYS A 97 1.641 -1.577 -4.057 1.00 0.00 H new ATOM 0 HE3 LYS A 97 1.862 0.161 -4.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 1.542 -0.618 -6.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 3.099 0.035 -6.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 2.886 -1.649 -6.140 1.00 0.00 H new ATOM 165 N GLU A 98 4.757 -2.801 0.732 1.00 0.00 N ATOM 166 CA GLU A 98 4.797 -4.230 1.019 1.00 0.00 C ATOM 167 C GLU A 98 3.702 -4.617 2.009 1.00 0.00 C ATOM 168 O GLU A 98 3.088 -5.677 1.889 1.00 0.00 O ATOM 169 CB GLU A 98 6.166 -4.623 1.576 1.00 0.00 C ATOM 170 CG GLU A 98 6.886 -5.670 0.743 1.00 0.00 C ATOM 171 CD GLU A 98 8.133 -6.200 1.421 1.00 0.00 C ATOM 172 OE1 GLU A 98 8.164 -6.228 2.669 1.00 0.00 O ATOM 173 OE2 GLU A 98 9.079 -6.588 0.703 1.00 0.00 O ATOM 0 H GLU A 98 5.567 -2.280 1.068 1.00 0.00 H new ATOM 0 HA GLU A 98 4.625 -4.767 0.086 1.00 0.00 H new ATOM 0 HB2 GLU A 98 6.791 -3.732 1.643 1.00 0.00 H new ATOM 0 HB3 GLU A 98 6.041 -5.002 2.590 1.00 0.00 H new ATOM 0 HG2 GLU A 98 6.207 -6.498 0.542 1.00 0.00 H new ATOM 0 HG3 GLU A 98 7.157 -5.239 -0.221 1.00 0.00 H new ATOM 180 N ARG A 99 3.464 -3.750 2.988 1.00 0.00 N ATOM 181 CA ARG A 99 2.445 -4.001 3.999 1.00 0.00 C ATOM 182 C ARG A 99 1.058 -4.070 3.370 1.00 0.00 C ATOM 183 O ARG A 99 0.247 -4.926 3.721 1.00 0.00 O ATOM 184 CB ARG A 99 2.478 -2.907 5.069 1.00 0.00 C ATOM 185 CG ARG A 99 1.350 -3.012 6.082 1.00 0.00 C ATOM 186 CD ARG A 99 1.846 -2.761 7.497 1.00 0.00 C ATOM 187 NE ARG A 99 2.496 -3.939 8.065 1.00 0.00 N ATOM 188 CZ ARG A 99 2.972 -3.989 9.305 1.00 0.00 C ATOM 189 NH1 ARG A 99 2.870 -2.934 10.101 1.00 0.00 N ATOM 190 NH2 ARG A 99 3.551 -5.097 9.750 1.00 0.00 N ATOM 0 H ARG A 99 3.963 -2.868 3.102 1.00 0.00 H new ATOM 0 HA ARG A 99 2.661 -4.963 4.464 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.432 -2.953 5.594 1.00 0.00 H new ATOM 0 HB3 ARG A 99 2.428 -1.933 4.582 1.00 0.00 H new ATOM 0 HG2 ARG A 99 0.570 -2.291 5.836 1.00 0.00 H new ATOM 0 HG3 ARG A 99 0.899 -4.002 6.024 1.00 0.00 H new ATOM 0 HD2 ARG A 99 2.547 -1.926 7.493 1.00 0.00 H new ATOM 0 HD3 ARG A 99 1.007 -2.469 8.129 1.00 0.00 H new ATOM 0 HE ARG A 99 2.590 -4.768 7.478 1.00 0.00 H new ATOM 0 HH11 ARG A 99 2.425 -2.081 9.762 1.00 0.00 H new ATOM 0 HH12 ARG A 99 3.236 -2.975 11.052 1.00 0.00 H new ATOM 0 HH21 ARG A 99 3.631 -5.911 9.140 1.00 0.00 H new ATOM 0 HH22 ARG A 99 3.916 -5.135 10.702 1.00 0.00 H new ATOM 204 N ALA A 100 0.792 -3.161 2.437 1.00 0.00 N ATOM 205 CA ALA A 100 -0.497 -3.119 1.756 1.00 0.00 C ATOM 206 C ALA A 100 -0.754 -4.411 0.988 1.00 0.00 C ATOM 207 O ALA A 100 -1.832 -4.997 1.085 1.00 0.00 O ATOM 208 CB ALA A 100 -0.559 -1.924 0.817 1.00 0.00 C ATOM 0 H ALA A 100 1.452 -2.444 2.136 1.00 0.00 H new ATOM 0 HA ALA A 100 -1.276 -3.015 2.511 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -1.527 -1.905 0.315 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -0.429 -1.005 1.389 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.234 -2.004 0.073 1.00 0.00 H new ATOM 214 N GLU A 101 0.242 -4.849 0.224 1.00 0.00 N ATOM 215 CA GLU A 101 0.121 -6.072 -0.560 1.00 0.00 C ATOM 216 C GLU A 101 -0.197 -7.265 0.335 1.00 0.00 C ATOM 217 O GLU A 101 -1.026 -8.109 -0.007 1.00 0.00 O ATOM 218 CB GLU A 101 1.413 -6.335 -1.337 1.00 0.00 C ATOM 219 CG GLU A 101 1.557 -5.478 -2.584 1.00 0.00 C ATOM 220 CD GLU A 101 3.000 -5.336 -3.029 1.00 0.00 C ATOM 221 OE1 GLU A 101 3.869 -5.108 -2.163 1.00 0.00 O ATOM 222 OE2 GLU A 101 3.259 -5.453 -4.246 1.00 0.00 O ATOM 0 H GLU A 101 1.141 -4.375 0.132 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.700 -5.940 -1.265 1.00 0.00 H new ATOM 0 HB2 GLU A 101 2.265 -6.154 -0.681 1.00 0.00 H new ATOM 0 HB3 GLU A 101 1.448 -7.386 -1.623 1.00 0.00 H new ATOM 0 HG2 GLU A 101 0.973 -5.918 -3.392 1.00 0.00 H new ATOM 0 HG3 GLU A 101 1.141 -4.489 -2.391 1.00 0.00 H new ATOM 229 N ARG A 102 0.467 -7.329 1.485 1.00 0.00 N ATOM 230 CA ARG A 102 0.256 -8.419 2.429 1.00 0.00 C ATOM 231 C ARG A 102 -1.170 -8.401 2.972 1.00 0.00 C ATOM 232 O ARG A 102 -1.794 -9.448 3.140 1.00 0.00 O ATOM 233 CB ARG A 102 1.254 -8.320 3.586 1.00 0.00 C ATOM 234 CG ARG A 102 2.470 -9.216 3.418 1.00 0.00 C ATOM 235 CD ARG A 102 2.549 -10.260 4.521 1.00 0.00 C ATOM 236 NE ARG A 102 3.130 -11.514 4.047 1.00 0.00 N ATOM 237 CZ ARG A 102 3.014 -12.668 4.692 1.00 0.00 C ATOM 238 NH1 ARG A 102 2.341 -12.728 5.834 1.00 0.00 N ATOM 239 NH2 ARG A 102 3.571 -13.766 4.197 1.00 0.00 N ATOM 0 H ARG A 102 1.155 -6.639 1.785 1.00 0.00 H new ATOM 0 HA ARG A 102 0.413 -9.359 1.900 1.00 0.00 H new ATOM 0 HB2 ARG A 102 1.585 -7.286 3.682 1.00 0.00 H new ATOM 0 HB3 ARG A 102 0.747 -8.580 4.515 1.00 0.00 H new ATOM 0 HG2 ARG A 102 2.427 -9.712 2.448 1.00 0.00 H new ATOM 0 HG3 ARG A 102 3.375 -8.608 3.425 1.00 0.00 H new ATOM 0 HD2 ARG A 102 3.147 -9.872 5.345 1.00 0.00 H new ATOM 0 HD3 ARG A 102 1.550 -10.449 4.914 1.00 0.00 H new ATOM 0 HE ARG A 102 3.654 -11.502 3.172 1.00 0.00 H new ATOM 0 HH11 ARG A 102 1.912 -11.886 6.218 1.00 0.00 H new ATOM 0 HH12 ARG A 102 2.253 -13.616 6.328 1.00 0.00 H new ATOM 0 HH21 ARG A 102 4.089 -13.724 3.320 1.00 0.00 H new ATOM 0 HH22 ARG A 102 3.481 -14.652 4.694 1.00 0.00 H new ATOM 253 N ARG A 103 -1.679 -7.203 3.243 1.00 0.00 N ATOM 254 CA ARG A 103 -3.030 -7.049 3.768 1.00 0.00 C ATOM 255 C ARG A 103 -4.069 -7.433 2.718 1.00 0.00 C ATOM 256 O ARG A 103 -5.159 -7.901 3.049 1.00 0.00 O ATOM 257 CB ARG A 103 -3.261 -5.607 4.225 1.00 0.00 C ATOM 258 CG ARG A 103 -3.486 -5.471 5.722 1.00 0.00 C ATOM 259 CD ARG A 103 -2.223 -5.793 6.506 1.00 0.00 C ATOM 260 NE ARG A 103 -2.293 -7.105 7.143 1.00 0.00 N ATOM 261 CZ ARG A 103 -1.241 -7.726 7.665 1.00 0.00 C ATOM 262 NH1 ARG A 103 -0.045 -7.156 7.628 1.00 0.00 N ATOM 263 NH2 ARG A 103 -1.385 -8.919 8.227 1.00 0.00 N ATOM 0 H ARG A 103 -1.176 -6.326 3.108 1.00 0.00 H new ATOM 0 HA ARG A 103 -3.139 -7.716 4.623 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -2.401 -5.002 3.939 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -4.125 -5.202 3.698 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -3.809 -4.456 5.952 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -4.289 -6.139 6.033 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -1.363 -5.760 5.837 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -2.064 -5.029 7.267 1.00 0.00 H new ATOM 0 HE ARG A 103 -3.199 -7.570 7.190 1.00 0.00 H new ATOM 0 HH11 ARG A 103 0.069 -6.238 7.198 1.00 0.00 H new ATOM 0 HH12 ARG A 103 0.761 -7.635 8.030 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -2.304 -9.360 8.259 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -0.577 -9.395 8.627 1.00 0.00 H new ATOM 277 N LEU A 104 -3.723 -7.232 1.451 1.00 0.00 N ATOM 278 CA LEU A 104 -4.625 -7.557 0.351 1.00 0.00 C ATOM 279 C LEU A 104 -4.947 -9.048 0.333 1.00 0.00 C ATOM 280 O LEU A 104 -6.048 -9.450 -0.042 1.00 0.00 O ATOM 281 CB LEU A 104 -4.003 -7.143 -0.982 1.00 0.00 C ATOM 282 CG LEU A 104 -4.847 -6.213 -1.856 1.00 0.00 C ATOM 283 CD1 LEU A 104 -3.953 -5.295 -2.676 1.00 0.00 C ATOM 284 CD2 LEU A 104 -5.762 -7.020 -2.765 1.00 0.00 C ATOM 0 H LEU A 104 -2.825 -6.846 1.160 1.00 0.00 H new ATOM 0 HA LEU A 104 -5.553 -7.005 0.500 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.051 -6.653 -0.779 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -3.783 -8.045 -1.553 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.467 -5.597 -1.205 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.570 -4.641 -3.292 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.340 -4.691 -2.007 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.307 -5.894 -3.318 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.355 -6.342 -3.379 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.161 -7.662 -3.409 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.427 -7.635 -2.159 1.00 0.00 H new ATOM 296 N GLN A 105 -3.981 -9.862 0.746 1.00 0.00 N ATOM 297 CA GLN A 105 -4.163 -11.308 0.779 1.00 0.00 C ATOM 298 C GLN A 105 -5.276 -11.695 1.747 1.00 0.00 C ATOM 299 O GLN A 105 -5.945 -12.712 1.566 1.00 0.00 O ATOM 300 CB GLN A 105 -2.859 -11.999 1.181 1.00 0.00 C ATOM 301 CG GLN A 105 -1.679 -11.633 0.295 1.00 0.00 C ATOM 302 CD GLN A 105 -1.852 -12.110 -1.132 1.00 0.00 C ATOM 303 OE1 GLN A 105 -2.131 -13.284 -1.378 1.00 0.00 O ATOM 304 NE2 GLN A 105 -1.685 -11.200 -2.085 1.00 0.00 N ATOM 0 H GLN A 105 -3.065 -9.545 1.062 1.00 0.00 H new ATOM 0 HA GLN A 105 -4.446 -11.635 -0.221 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -2.623 -11.739 2.213 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -3.005 -13.079 1.150 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -1.548 -10.551 0.299 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -0.769 -12.066 0.711 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -1.454 -10.238 -1.837 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -1.787 -11.463 -3.065 1.00 0.00 H new ATOM 313 N SER A 106 -5.469 -10.876 2.777 1.00 0.00 N ATOM 314 CA SER A 106 -6.499 -11.135 3.776 1.00 0.00 C ATOM 315 C SER A 106 -7.843 -10.565 3.332 1.00 0.00 C ATOM 316 O SER A 106 -7.988 -9.357 3.152 1.00 0.00 O ATOM 317 CB SER A 106 -6.096 -10.529 5.122 1.00 0.00 C ATOM 318 OG SER A 106 -4.686 -10.486 5.260 1.00 0.00 O ATOM 0 H SER A 106 -4.926 -10.028 2.941 1.00 0.00 H new ATOM 0 HA SER A 106 -6.600 -12.215 3.886 1.00 0.00 H new ATOM 0 HB2 SER A 106 -6.504 -9.522 5.208 1.00 0.00 H new ATOM 0 HB3 SER A 106 -6.526 -11.117 5.933 1.00 0.00 H new ATOM 0 HG SER A 106 -4.454 -10.093 6.127 1.00 0.00 H new ATOM 324 N GLN A 107 -8.823 -11.447 3.157 1.00 0.00 N ATOM 325 CA GLN A 107 -10.155 -11.033 2.732 1.00 0.00 C ATOM 326 C GLN A 107 -11.118 -11.002 3.915 1.00 0.00 C ATOM 327 O GLN A 107 -12.101 -10.262 3.907 1.00 0.00 O ATOM 328 CB GLN A 107 -10.685 -11.976 1.651 1.00 0.00 C ATOM 329 CG GLN A 107 -10.687 -11.367 0.259 1.00 0.00 C ATOM 330 CD GLN A 107 -11.782 -11.932 -0.623 1.00 0.00 C ATOM 331 OE1 GLN A 107 -11.538 -12.814 -1.446 1.00 0.00 O ATOM 332 NE2 GLN A 107 -12.998 -11.426 -0.455 1.00 0.00 N ATOM 0 H GLN A 107 -8.719 -12.451 3.303 1.00 0.00 H new ATOM 0 HA GLN A 107 -10.082 -10.026 2.320 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -10.078 -12.881 1.641 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -11.701 -12.276 1.909 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -10.811 -10.287 0.339 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -9.720 -11.543 -0.212 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -13.155 -10.696 0.239 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -13.775 -11.768 -1.020 1.00 0.00 H new ATOM 341 N GLN A 108 -10.828 -11.812 4.929 1.00 0.00 N ATOM 342 CA GLN A 108 -11.670 -11.878 6.117 1.00 0.00 C ATOM 343 C GLN A 108 -11.636 -10.559 6.883 1.00 0.00 C ATOM 344 O GLN A 108 -12.652 -10.111 7.412 1.00 0.00 O ATOM 345 CB GLN A 108 -11.216 -13.021 7.027 1.00 0.00 C ATOM 346 CG GLN A 108 -12.140 -13.262 8.209 1.00 0.00 C ATOM 347 CD GLN A 108 -12.827 -14.612 8.147 1.00 0.00 C ATOM 348 OE1 GLN A 108 -13.972 -14.720 7.708 1.00 0.00 O ATOM 349 NE2 GLN A 108 -12.129 -15.652 8.588 1.00 0.00 N ATOM 0 H GLN A 108 -10.017 -12.431 4.951 1.00 0.00 H new ATOM 0 HA GLN A 108 -12.695 -12.064 5.795 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -11.146 -13.936 6.439 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -10.215 -12.803 7.398 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -11.567 -13.192 9.133 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -12.894 -12.476 8.242 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -11.183 -15.517 8.944 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -12.539 -16.586 8.571 1.00 0.00 H new ATOM 358 N ASP A 109 -10.460 -9.943 6.936 1.00 0.00 N ATOM 359 CA ASP A 109 -10.293 -8.674 7.637 1.00 0.00 C ATOM 360 C ASP A 109 -10.638 -7.501 6.725 1.00 0.00 C ATOM 361 O ASP A 109 -9.838 -6.583 6.548 1.00 0.00 O ATOM 362 CB ASP A 109 -8.859 -8.534 8.147 1.00 0.00 C ATOM 363 CG ASP A 109 -8.773 -7.705 9.413 1.00 0.00 C ATOM 364 OD1 ASP A 109 -9.495 -6.689 9.508 1.00 0.00 O ATOM 365 OD2 ASP A 109 -7.986 -8.071 10.310 1.00 0.00 O ATOM 0 H ASP A 109 -9.609 -10.301 6.503 1.00 0.00 H new ATOM 0 HA ASP A 109 -10.975 -8.664 8.487 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -8.445 -9.525 8.336 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -8.244 -8.074 7.373 1.00 0.00 H new ATOM 370 N ASP A 110 -11.834 -7.539 6.148 1.00 0.00 N ATOM 371 CA ASP A 110 -12.286 -6.479 5.253 1.00 0.00 C ATOM 372 C ASP A 110 -12.184 -5.116 5.931 1.00 0.00 C ATOM 373 O ASP A 110 -11.968 -4.099 5.272 1.00 0.00 O ATOM 374 CB ASP A 110 -13.727 -6.735 4.811 1.00 0.00 C ATOM 375 CG ASP A 110 -14.083 -5.991 3.539 1.00 0.00 C ATOM 376 OD1 ASP A 110 -13.464 -6.275 2.493 1.00 0.00 O ATOM 377 OD2 ASP A 110 -14.981 -5.124 3.590 1.00 0.00 O ATOM 0 H ASP A 110 -12.508 -8.292 6.284 1.00 0.00 H new ATOM 0 HA ASP A 110 -11.640 -6.478 4.375 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -13.872 -7.804 4.656 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -14.407 -6.433 5.607 1.00 0.00 H new ATOM 382 N ILE A 111 -12.341 -5.104 7.250 1.00 0.00 N ATOM 383 CA ILE A 111 -12.267 -3.866 8.017 1.00 0.00 C ATOM 384 C ILE A 111 -10.920 -3.178 7.820 1.00 0.00 C ATOM 385 O ILE A 111 -10.814 -1.956 7.930 1.00 0.00 O ATOM 386 CB ILE A 111 -12.485 -4.121 9.520 1.00 0.00 C ATOM 387 CG1 ILE A 111 -13.804 -4.862 9.748 1.00 0.00 C ATOM 388 CG2 ILE A 111 -12.470 -2.807 10.287 1.00 0.00 C ATOM 389 CD1 ILE A 111 -15.011 -4.126 9.208 1.00 0.00 C ATOM 0 H ILE A 111 -12.520 -5.937 7.810 1.00 0.00 H new ATOM 0 HA ILE A 111 -13.062 -3.218 7.648 1.00 0.00 H new ATOM 0 HB ILE A 111 -11.671 -4.745 9.890 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -13.746 -5.843 9.277 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -13.938 -5.028 10.817 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -12.625 -3.003 11.348 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -11.508 -2.314 10.146 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -13.266 -2.161 9.917 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -15.911 -4.709 9.405 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -15.094 -3.155 9.697 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -14.899 -3.983 8.133 1.00 0.00 H new ATOM 401 N ASP A 112 -9.894 -3.970 7.528 1.00 0.00 N ATOM 402 CA ASP A 112 -8.554 -3.437 7.313 1.00 0.00 C ATOM 403 C ASP A 112 -8.309 -3.165 5.832 1.00 0.00 C ATOM 404 O ASP A 112 -7.535 -2.277 5.472 1.00 0.00 O ATOM 405 CB ASP A 112 -7.503 -4.412 7.845 1.00 0.00 C ATOM 406 CG ASP A 112 -6.856 -3.923 9.126 1.00 0.00 C ATOM 407 OD1 ASP A 112 -6.436 -2.748 9.167 1.00 0.00 O ATOM 408 OD2 ASP A 112 -6.769 -4.716 10.087 1.00 0.00 O ATOM 0 H ASP A 112 -9.965 -4.983 7.435 1.00 0.00 H new ATOM 0 HA ASP A 112 -8.473 -2.495 7.856 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -7.968 -5.381 8.023 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -6.734 -4.562 7.087 1.00 0.00 H new ATOM 413 N PHE A 113 -8.973 -3.935 4.976 1.00 0.00 N ATOM 414 CA PHE A 113 -8.826 -3.779 3.533 1.00 0.00 C ATOM 415 C PHE A 113 -9.122 -2.343 3.109 1.00 0.00 C ATOM 416 O PHE A 113 -8.563 -1.844 2.132 1.00 0.00 O ATOM 417 CB PHE A 113 -9.758 -4.743 2.797 1.00 0.00 C ATOM 418 CG PHE A 113 -9.739 -4.573 1.305 1.00 0.00 C ATOM 419 CD1 PHE A 113 -8.826 -5.267 0.526 1.00 0.00 C ATOM 420 CD2 PHE A 113 -10.633 -3.719 0.680 1.00 0.00 C ATOM 421 CE1 PHE A 113 -8.806 -5.112 -0.845 1.00 0.00 C ATOM 422 CE2 PHE A 113 -10.618 -3.560 -0.693 1.00 0.00 C ATOM 423 CZ PHE A 113 -9.704 -4.258 -1.456 1.00 0.00 C ATOM 0 H PHE A 113 -9.618 -4.673 5.257 1.00 0.00 H new ATOM 0 HA PHE A 113 -7.794 -4.012 3.270 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -9.475 -5.767 3.042 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -10.776 -4.598 3.158 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -8.122 -5.937 0.998 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -11.350 -3.171 1.273 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -8.089 -5.658 -1.440 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -11.320 -2.891 -1.168 1.00 0.00 H new ATOM 0 HZ PHE A 113 -9.691 -4.137 -2.529 1.00 0.00 H new ATOM 433 N LYS A 114 -10.005 -1.684 3.851 1.00 0.00 N ATOM 434 CA LYS A 114 -10.376 -0.305 3.555 1.00 0.00 C ATOM 435 C LYS A 114 -9.173 0.623 3.688 1.00 0.00 C ATOM 436 O LYS A 114 -8.835 1.353 2.755 1.00 0.00 O ATOM 437 CB LYS A 114 -11.496 0.156 4.491 1.00 0.00 C ATOM 438 CG LYS A 114 -12.833 0.342 3.794 1.00 0.00 C ATOM 439 CD LYS A 114 -13.911 -0.531 4.414 1.00 0.00 C ATOM 440 CE LYS A 114 -15.181 -0.528 3.577 1.00 0.00 C ATOM 441 NZ LYS A 114 -15.203 -1.650 2.598 1.00 0.00 N ATOM 0 H LYS A 114 -10.477 -2.083 4.662 1.00 0.00 H new ATOM 0 HA LYS A 114 -10.732 -0.264 2.525 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -11.612 -0.574 5.292 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -11.204 1.097 4.957 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -13.133 1.388 3.853 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -12.730 0.099 2.736 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -13.542 -1.552 4.513 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -14.136 -0.175 5.419 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -16.048 -0.601 4.233 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -15.263 0.420 3.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -16.084 -1.613 2.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -14.389 -1.566 1.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -15.151 -2.556 3.107 1.00 0.00 H new ATOM 455 N ARG A 115 -8.531 0.589 4.851 1.00 0.00 N ATOM 456 CA ARG A 115 -7.366 1.427 5.105 1.00 0.00 C ATOM 457 C ARG A 115 -6.206 1.037 4.193 1.00 0.00 C ATOM 458 O ARG A 115 -5.579 1.892 3.569 1.00 0.00 O ATOM 459 CB ARG A 115 -6.939 1.313 6.569 1.00 0.00 C ATOM 460 CG ARG A 115 -7.979 1.831 7.550 1.00 0.00 C ATOM 461 CD ARG A 115 -7.385 2.036 8.934 1.00 0.00 C ATOM 462 NE ARG A 115 -8.336 1.703 9.991 1.00 0.00 N ATOM 463 CZ ARG A 115 -8.671 0.459 10.314 1.00 0.00 C ATOM 464 NH1 ARG A 115 -8.135 -0.565 9.664 1.00 0.00 N ATOM 465 NH2 ARG A 115 -9.544 0.237 11.288 1.00 0.00 N ATOM 0 H ARG A 115 -8.798 -0.010 5.632 1.00 0.00 H new ATOM 0 HA ARG A 115 -7.640 2.461 4.893 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -6.726 0.268 6.796 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -6.010 1.866 6.712 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -8.388 2.773 7.185 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -8.808 1.126 7.609 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -6.493 1.419 9.041 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -7.070 3.074 9.043 1.00 0.00 H new ATOM 0 HE ARG A 115 -8.767 2.468 10.510 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -7.464 -0.398 8.914 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -8.394 -1.519 9.914 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -9.959 1.022 11.790 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -9.800 -0.719 11.535 1.00 0.00 H new ATOM 479 N ALA A 116 -5.927 -0.261 4.122 1.00 0.00 N ATOM 480 CA ALA A 116 -4.844 -0.765 3.287 1.00 0.00 C ATOM 481 C ALA A 116 -5.023 -0.330 1.836 1.00 0.00 C ATOM 482 O ALA A 116 -4.049 -0.192 1.097 1.00 0.00 O ATOM 483 CB ALA A 116 -4.768 -2.282 3.379 1.00 0.00 C ATOM 0 H ALA A 116 -6.436 -0.982 4.633 1.00 0.00 H new ATOM 0 HA ALA A 116 -3.909 -0.343 3.654 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -3.955 -2.644 2.750 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -4.586 -2.575 4.413 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -5.709 -2.715 3.040 1.00 0.00 H new ATOM 489 N GLU A 117 -6.272 -0.117 1.436 1.00 0.00 N ATOM 490 CA GLU A 117 -6.577 0.301 0.073 1.00 0.00 C ATOM 491 C GLU A 117 -6.236 1.774 -0.133 1.00 0.00 C ATOM 492 O GLU A 117 -5.495 2.129 -1.052 1.00 0.00 O ATOM 493 CB GLU A 117 -8.055 0.060 -0.240 1.00 0.00 C ATOM 494 CG GLU A 117 -8.442 0.419 -1.664 1.00 0.00 C ATOM 495 CD GLU A 117 -8.005 -0.630 -2.669 1.00 0.00 C ATOM 496 OE1 GLU A 117 -6.881 -1.156 -2.528 1.00 0.00 O ATOM 497 OE2 GLU A 117 -8.788 -0.924 -3.597 1.00 0.00 O ATOM 0 H GLU A 117 -7.089 -0.227 2.036 1.00 0.00 H new ATOM 0 HA GLU A 117 -5.968 -0.294 -0.607 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -8.289 -0.990 -0.063 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -8.664 0.643 0.451 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -9.523 0.544 -1.722 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -7.995 1.378 -1.927 1.00 0.00 H new ATOM 504 N LEU A 118 -6.781 2.628 0.726 1.00 0.00 N ATOM 505 CA LEU A 118 -6.536 4.063 0.638 1.00 0.00 C ATOM 506 C LEU A 118 -5.040 4.361 0.634 1.00 0.00 C ATOM 507 O LEU A 118 -4.575 5.243 -0.085 1.00 0.00 O ATOM 508 CB LEU A 118 -7.209 4.787 1.806 1.00 0.00 C ATOM 509 CG LEU A 118 -8.506 5.528 1.478 1.00 0.00 C ATOM 510 CD1 LEU A 118 -9.268 5.858 2.753 1.00 0.00 C ATOM 511 CD2 LEU A 118 -8.212 6.794 0.687 1.00 0.00 C ATOM 0 H LEU A 118 -7.396 2.352 1.492 1.00 0.00 H new ATOM 0 HA LEU A 118 -6.961 4.423 -0.299 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -7.419 4.057 2.588 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -6.500 5.503 2.221 1.00 0.00 H new ATOM 0 HG LEU A 118 -9.129 4.877 0.864 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -10.188 6.385 2.501 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -9.511 4.936 3.281 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -8.651 6.490 3.392 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -9.147 7.308 0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -7.569 7.449 1.275 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -7.709 6.533 -0.244 1.00 0.00 H new ATOM 523 N ALA A 119 -4.292 3.617 1.442 1.00 0.00 N ATOM 524 CA ALA A 119 -2.848 3.799 1.528 1.00 0.00 C ATOM 525 C ALA A 119 -2.152 3.267 0.280 1.00 0.00 C ATOM 526 O ALA A 119 -1.152 3.825 -0.170 1.00 0.00 O ATOM 527 CB ALA A 119 -2.303 3.111 2.772 1.00 0.00 C ATOM 0 H ALA A 119 -4.662 2.883 2.046 1.00 0.00 H new ATOM 0 HA ALA A 119 -2.645 4.868 1.598 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -1.224 3.255 2.824 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -2.769 3.540 3.659 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -2.525 2.045 2.725 1.00 0.00 H new ATOM 533 N LEU A 120 -2.687 2.184 -0.272 1.00 0.00 N ATOM 534 CA LEU A 120 -2.117 1.575 -1.470 1.00 0.00 C ATOM 535 C LEU A 120 -2.179 2.537 -2.652 1.00 0.00 C ATOM 536 O LEU A 120 -1.199 2.712 -3.377 1.00 0.00 O ATOM 537 CB LEU A 120 -2.858 0.282 -1.811 1.00 0.00 C ATOM 538 CG LEU A 120 -2.423 -0.422 -3.097 1.00 0.00 C ATOM 539 CD1 LEU A 120 -1.757 -1.752 -2.778 1.00 0.00 C ATOM 540 CD2 LEU A 120 -3.614 -0.628 -4.021 1.00 0.00 C ATOM 0 H LEU A 120 -3.514 1.709 0.090 1.00 0.00 H new ATOM 0 HA LEU A 120 -1.071 1.344 -1.267 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -2.735 -0.413 -0.981 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -3.922 0.505 -1.885 1.00 0.00 H new ATOM 0 HG LEU A 120 -1.698 0.211 -3.608 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -1.454 -2.239 -3.705 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -0.879 -1.579 -2.155 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -2.460 -2.392 -2.245 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -3.286 -1.130 -4.931 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -4.363 -1.240 -3.518 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -4.048 0.339 -4.276 1.00 0.00 H new ATOM 552 N LYS A 121 -3.337 3.162 -2.840 1.00 0.00 N ATOM 553 CA LYS A 121 -3.527 4.109 -3.931 1.00 0.00 C ATOM 554 C LYS A 121 -2.692 5.367 -3.712 1.00 0.00 C ATOM 555 O LYS A 121 -1.981 5.816 -4.611 1.00 0.00 O ATOM 556 CB LYS A 121 -5.006 4.482 -4.058 1.00 0.00 C ATOM 557 CG LYS A 121 -5.646 4.000 -5.348 1.00 0.00 C ATOM 558 CD LYS A 121 -7.162 3.985 -5.247 1.00 0.00 C ATOM 559 CE LYS A 121 -7.686 2.591 -4.937 1.00 0.00 C ATOM 560 NZ LYS A 121 -7.766 1.744 -6.159 1.00 0.00 N ATOM 0 H LYS A 121 -4.158 3.029 -2.250 1.00 0.00 H new ATOM 0 HA LYS A 121 -3.198 3.632 -4.854 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -5.552 4.063 -3.213 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -5.105 5.566 -3.996 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -5.342 4.648 -6.170 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -5.286 2.998 -5.581 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -7.483 4.677 -4.468 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -7.594 4.337 -6.184 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -7.035 2.113 -4.206 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -8.674 2.667 -4.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -8.127 0.802 -5.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -8.407 2.187 -6.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -6.819 1.650 -6.579 1.00 0.00 H new ATOM 574 N ARG A 122 -2.782 5.930 -2.512 1.00 0.00 N ATOM 575 CA ARG A 122 -2.035 7.135 -2.174 1.00 0.00 C ATOM 576 C ARG A 122 -0.543 6.939 -2.431 1.00 0.00 C ATOM 577 O ARG A 122 0.125 7.821 -2.970 1.00 0.00 O ATOM 578 CB ARG A 122 -2.266 7.512 -0.710 1.00 0.00 C ATOM 579 CG ARG A 122 -1.862 8.939 -0.377 1.00 0.00 C ATOM 580 CD ARG A 122 -1.341 9.052 1.046 1.00 0.00 C ATOM 581 NE ARG A 122 -2.425 9.156 2.019 1.00 0.00 N ATOM 582 CZ ARG A 122 -3.184 10.237 2.162 1.00 0.00 C ATOM 583 NH1 ARG A 122 -2.978 11.301 1.397 1.00 0.00 N ATOM 584 NH2 ARG A 122 -4.151 10.255 3.070 1.00 0.00 N ATOM 0 H ARG A 122 -3.366 5.570 -1.757 1.00 0.00 H new ATOM 0 HA ARG A 122 -2.393 7.944 -2.810 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -3.321 7.377 -0.471 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -1.705 6.827 -0.074 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -1.094 9.273 -1.075 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -2.719 9.600 -0.506 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -0.728 8.181 1.278 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -0.696 9.927 1.127 1.00 0.00 H new ATOM 0 HE ARG A 122 -2.610 8.354 2.622 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -2.236 11.290 0.697 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -3.562 12.130 1.508 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -4.312 9.438 3.659 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -4.733 11.086 3.179 1.00 0.00 H new ATOM 598 N ALA A 123 -0.028 5.778 -2.041 1.00 0.00 N ATOM 599 CA ALA A 123 1.383 5.466 -2.229 1.00 0.00 C ATOM 600 C ALA A 123 1.736 5.395 -3.711 1.00 0.00 C ATOM 601 O ALA A 123 2.793 5.864 -4.130 1.00 0.00 O ATOM 602 CB ALA A 123 1.731 4.155 -1.539 1.00 0.00 C ATOM 0 H ALA A 123 -0.567 5.037 -1.593 1.00 0.00 H new ATOM 0 HA ALA A 123 1.970 6.267 -1.780 1.00 0.00 H new ATOM 0 HB1 ALA A 123 2.788 3.935 -1.688 1.00 0.00 H new ATOM 0 HB2 ALA A 123 1.525 4.239 -0.472 1.00 0.00 H new ATOM 0 HB3 ALA A 123 1.130 3.350 -1.962 1.00 0.00 H new ATOM 608 N MET A 124 0.844 4.804 -4.500 1.00 0.00 N ATOM 609 CA MET A 124 1.062 4.672 -5.936 1.00 0.00 C ATOM 610 C MET A 124 1.272 6.038 -6.581 1.00 0.00 C ATOM 611 O MET A 124 2.097 6.190 -7.481 1.00 0.00 O ATOM 612 CB MET A 124 -0.125 3.963 -6.590 1.00 0.00 C ATOM 613 CG MET A 124 -0.070 3.964 -8.110 1.00 0.00 C ATOM 614 SD MET A 124 1.370 3.091 -8.754 1.00 0.00 S ATOM 615 CE MET A 124 0.742 1.416 -8.837 1.00 0.00 C ATOM 0 H MET A 124 -0.036 4.409 -4.169 1.00 0.00 H new ATOM 0 HA MET A 124 1.961 4.075 -6.089 1.00 0.00 H new ATOM 0 HB2 MET A 124 -0.162 2.933 -6.236 1.00 0.00 H new ATOM 0 HB3 MET A 124 -1.048 4.444 -6.267 1.00 0.00 H new ATOM 0 HG2 MET A 124 -0.976 3.502 -8.503 1.00 0.00 H new ATOM 0 HG3 MET A 124 -0.056 4.993 -8.468 1.00 0.00 H new ATOM 0 HE1 MET A 124 1.520 0.754 -9.218 1.00 0.00 H new ATOM 0 HE2 MET A 124 0.444 1.089 -7.841 1.00 0.00 H new ATOM 0 HE3 MET A 124 -0.121 1.383 -9.502 1.00 0.00 H new ATOM 625 N ASN A 125 0.520 7.030 -6.115 1.00 0.00 N ATOM 626 CA ASN A 125 0.623 8.384 -6.648 1.00 0.00 C ATOM 627 C ASN A 125 2.050 8.910 -6.523 1.00 0.00 C ATOM 628 O ASN A 125 2.593 9.491 -7.463 1.00 0.00 O ATOM 629 CB ASN A 125 -0.342 9.318 -5.917 1.00 0.00 C ATOM 630 CG ASN A 125 -0.362 10.712 -6.512 1.00 0.00 C ATOM 631 OD1 ASN A 125 0.448 11.565 -6.150 1.00 0.00 O ATOM 632 ND2 ASN A 125 -1.290 10.949 -7.432 1.00 0.00 N ATOM 0 H ASN A 125 -0.167 6.922 -5.369 1.00 0.00 H new ATOM 0 HA ASN A 125 0.357 8.353 -7.704 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -1.347 8.897 -5.952 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -0.058 9.379 -4.866 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -1.352 11.868 -7.869 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -1.941 10.212 -7.701 1.00 0.00 H new ATOM 639 N ARG A 126 2.652 8.701 -5.357 1.00 0.00 N ATOM 640 CA ARG A 126 4.015 9.155 -5.109 1.00 0.00 C ATOM 641 C ARG A 126 5.009 8.390 -5.977 1.00 0.00 C ATOM 642 O ARG A 126 5.934 8.975 -6.542 1.00 0.00 O ATOM 643 CB ARG A 126 4.372 8.979 -3.632 1.00 0.00 C ATOM 644 CG ARG A 126 4.859 10.257 -2.967 1.00 0.00 C ATOM 645 CD ARG A 126 3.728 11.259 -2.791 1.00 0.00 C ATOM 646 NE ARG A 126 4.227 12.611 -2.556 1.00 0.00 N ATOM 647 CZ ARG A 126 3.441 13.678 -2.462 1.00 0.00 C ATOM 648 NH1 ARG A 126 2.127 13.551 -2.584 1.00 0.00 N ATOM 649 NH2 ARG A 126 3.970 14.876 -2.246 1.00 0.00 N ATOM 0 H ARG A 126 2.218 8.220 -4.569 1.00 0.00 H new ATOM 0 HA ARG A 126 4.072 10.213 -5.367 1.00 0.00 H new ATOM 0 HB2 ARG A 126 3.497 8.612 -3.097 1.00 0.00 H new ATOM 0 HB3 ARG A 126 5.145 8.215 -3.542 1.00 0.00 H new ATOM 0 HG2 ARG A 126 5.292 10.021 -1.995 1.00 0.00 H new ATOM 0 HG3 ARG A 126 5.651 10.703 -3.569 1.00 0.00 H new ATOM 0 HD2 ARG A 126 3.098 11.255 -3.680 1.00 0.00 H new ATOM 0 HD3 ARG A 126 3.100 10.954 -1.954 1.00 0.00 H new ATOM 0 HE ARG A 126 5.234 12.743 -2.459 1.00 0.00 H new ATOM 0 HH11 ARG A 126 1.717 12.632 -2.751 1.00 0.00 H new ATOM 0 HH12 ARG A 126 1.526 14.372 -2.511 1.00 0.00 H new ATOM 0 HH21 ARG A 126 4.981 14.978 -2.152 1.00 0.00 H new ATOM 0 HH22 ARG A 126 3.366 15.695 -2.174 1.00 0.00 H new ATOM 663 N LEU A 127 4.812 7.080 -6.080 1.00 0.00 N ATOM 664 CA LEU A 127 5.691 6.234 -6.879 1.00 0.00 C ATOM 665 C LEU A 127 5.687 6.672 -8.341 1.00 0.00 C ATOM 666 O LEU A 127 6.733 6.720 -8.988 1.00 0.00 O ATOM 667 CB LEU A 127 5.260 4.771 -6.773 1.00 0.00 C ATOM 668 CG LEU A 127 6.387 3.738 -6.753 1.00 0.00 C ATOM 669 CD1 LEU A 127 7.278 3.897 -7.976 1.00 0.00 C ATOM 670 CD2 LEU A 127 7.204 3.865 -5.476 1.00 0.00 C ATOM 0 H LEU A 127 4.051 6.581 -5.620 1.00 0.00 H new ATOM 0 HA LEU A 127 6.704 6.337 -6.490 1.00 0.00 H new ATOM 0 HB2 LEU A 127 4.669 4.652 -5.865 1.00 0.00 H new ATOM 0 HB3 LEU A 127 4.602 4.545 -7.612 1.00 0.00 H new ATOM 0 HG LEU A 127 5.943 2.743 -6.779 1.00 0.00 H new ATOM 0 HD11 LEU A 127 8.075 3.154 -7.945 1.00 0.00 H new ATOM 0 HD12 LEU A 127 6.685 3.756 -8.879 1.00 0.00 H new ATOM 0 HD13 LEU A 127 7.714 4.896 -7.981 1.00 0.00 H new ATOM 0 HD21 LEU A 127 8.002 3.122 -5.479 1.00 0.00 H new ATOM 0 HD22 LEU A 127 7.638 4.863 -5.420 1.00 0.00 H new ATOM 0 HD23 LEU A 127 6.558 3.701 -4.613 1.00 0.00 H new ATOM 682 N SER A 128 4.503 6.993 -8.854 1.00 0.00 N ATOM 683 CA SER A 128 4.362 7.425 -10.239 1.00 0.00 C ATOM 684 C SER A 128 5.067 8.760 -10.465 1.00 0.00 C ATOM 685 O SER A 128 5.674 8.984 -11.513 1.00 0.00 O ATOM 686 CB SER A 128 2.883 7.547 -10.609 1.00 0.00 C ATOM 687 OG SER A 128 2.711 8.350 -11.764 1.00 0.00 O ATOM 0 H SER A 128 3.628 6.962 -8.331 1.00 0.00 H new ATOM 0 HA SER A 128 4.828 6.675 -10.878 1.00 0.00 H new ATOM 0 HB2 SER A 128 2.466 6.556 -10.786 1.00 0.00 H new ATOM 0 HB3 SER A 128 2.331 7.981 -9.775 1.00 0.00 H new ATOM 0 HG SER A 128 1.757 8.411 -11.981 1.00 0.00 H new ATOM 693 N VAL A 129 4.980 9.643 -9.476 1.00 0.00 N ATOM 694 CA VAL A 129 5.610 10.955 -9.566 1.00 0.00 C ATOM 695 C VAL A 129 7.129 10.840 -9.517 1.00 0.00 C ATOM 696 O VAL A 129 7.840 11.604 -10.169 1.00 0.00 O ATOM 697 CB VAL A 129 5.139 11.882 -8.428 1.00 0.00 C ATOM 698 CG1 VAL A 129 5.811 13.242 -8.536 1.00 0.00 C ATOM 699 CG2 VAL A 129 3.625 12.022 -8.448 1.00 0.00 C ATOM 0 H VAL A 129 4.480 9.474 -8.603 1.00 0.00 H new ATOM 0 HA VAL A 129 5.312 11.385 -10.522 1.00 0.00 H new ATOM 0 HB VAL A 129 5.426 11.436 -7.476 1.00 0.00 H new ATOM 0 HG11 VAL A 129 5.467 13.883 -7.725 1.00 0.00 H new ATOM 0 HG12 VAL A 129 6.892 13.120 -8.468 1.00 0.00 H new ATOM 0 HG13 VAL A 129 5.556 13.699 -9.492 1.00 0.00 H new ATOM 0 HG21 VAL A 129 3.310 12.680 -7.638 1.00 0.00 H new ATOM 0 HG22 VAL A 129 3.311 12.445 -9.402 1.00 0.00 H new ATOM 0 HG23 VAL A 129 3.167 11.041 -8.318 1.00 0.00 H new ATOM 709 N ALA A 130 7.620 9.880 -8.740 1.00 0.00 N ATOM 710 CA ALA A 130 9.055 9.663 -8.609 1.00 0.00 C ATOM 711 C ALA A 130 9.697 9.396 -9.967 1.00 0.00 C ATOM 712 O ALA A 130 10.642 10.077 -10.361 1.00 0.00 O ATOM 713 CB ALA A 130 9.329 8.508 -7.657 1.00 0.00 C ATOM 0 H ALA A 130 7.045 9.240 -8.192 1.00 0.00 H new ATOM 0 HA ALA A 130 9.499 10.570 -8.199 1.00 0.00 H new ATOM 0 HB1 ALA A 130 10.405 8.357 -7.568 1.00 0.00 H new ATOM 0 HB2 ALA A 130 8.913 8.738 -6.676 1.00 0.00 H new ATOM 0 HB3 ALA A 130 8.866 7.600 -8.043 1.00 0.00 H new ATOM 719 N GLU A 131 9.176 8.399 -10.676 1.00 0.00 N ATOM 720 CA GLU A 131 9.701 8.042 -11.989 1.00 0.00 C ATOM 721 C GLU A 131 9.785 9.268 -12.893 1.00 0.00 C ATOM 722 O GLU A 131 10.869 9.660 -13.326 1.00 0.00 O ATOM 723 CB GLU A 131 8.821 6.974 -12.642 1.00 0.00 C ATOM 724 CG GLU A 131 9.379 6.441 -13.950 1.00 0.00 C ATOM 725 CD GLU A 131 8.520 5.342 -14.546 1.00 0.00 C ATOM 726 OE1 GLU A 131 7.284 5.400 -14.379 1.00 0.00 O ATOM 727 OE2 GLU A 131 9.084 4.425 -15.179 1.00 0.00 O ATOM 0 H GLU A 131 8.392 7.825 -10.364 1.00 0.00 H new ATOM 0 HA GLU A 131 10.706 7.642 -11.853 1.00 0.00 H new ATOM 0 HB2 GLU A 131 8.694 6.145 -11.946 1.00 0.00 H new ATOM 0 HB3 GLU A 131 7.831 7.392 -12.823 1.00 0.00 H new ATOM 0 HG2 GLU A 131 9.463 7.259 -14.665 1.00 0.00 H new ATOM 0 HG3 GLU A 131 10.386 6.059 -13.782 1.00 0.00 H new ATOM 734 N MET A 132 8.634 9.870 -13.174 1.00 0.00 N ATOM 735 CA MET A 132 8.577 11.052 -14.026 1.00 0.00 C ATOM 736 C MET A 132 8.658 12.327 -13.192 1.00 0.00 C ATOM 737 O MET A 132 7.933 13.291 -13.442 1.00 0.00 O ATOM 738 CB MET A 132 7.291 11.050 -14.854 1.00 0.00 C ATOM 739 CG MET A 132 6.979 9.704 -15.489 1.00 0.00 C ATOM 740 SD MET A 132 6.218 9.864 -17.116 1.00 0.00 S ATOM 741 CE MET A 132 4.720 8.909 -16.884 1.00 0.00 C ATOM 0 H MET A 132 7.728 9.559 -12.824 1.00 0.00 H new ATOM 0 HA MET A 132 9.433 11.025 -14.700 1.00 0.00 H new ATOM 0 HB2 MET A 132 6.457 11.344 -14.216 1.00 0.00 H new ATOM 0 HB3 MET A 132 7.372 11.802 -15.638 1.00 0.00 H new ATOM 0 HG2 MET A 132 7.899 9.126 -15.578 1.00 0.00 H new ATOM 0 HG3 MET A 132 6.312 9.143 -14.834 1.00 0.00 H new ATOM 0 HE1 MET A 132 4.139 8.913 -17.806 1.00 0.00 H new ATOM 0 HE2 MET A 132 4.979 7.883 -16.623 1.00 0.00 H new ATOM 0 HE3 MET A 132 4.129 9.349 -16.081 1.00 0.00 H new ATOM 751 N LYS A 133 9.543 12.326 -12.202 1.00 0.00 N ATOM 752 CA LYS A 133 9.719 13.483 -11.331 1.00 0.00 C ATOM 753 C LYS A 133 10.287 14.667 -12.108 1.00 0.00 C ATOM 754 O LYS A 133 10.870 14.497 -13.179 1.00 0.00 O ATOM 755 CB LYS A 133 10.646 13.133 -10.165 1.00 0.00 C ATOM 756 CG LYS A 133 12.038 12.710 -10.600 1.00 0.00 C ATOM 757 CD LYS A 133 12.984 13.897 -10.675 1.00 0.00 C ATOM 758 CE LYS A 133 14.408 13.498 -10.321 1.00 0.00 C ATOM 759 NZ LYS A 133 15.368 14.615 -10.545 1.00 0.00 N ATOM 0 H LYS A 133 10.150 11.537 -11.982 1.00 0.00 H new ATOM 0 HA LYS A 133 8.741 13.763 -10.939 1.00 0.00 H new ATOM 0 HB2 LYS A 133 10.728 13.997 -9.505 1.00 0.00 H new ATOM 0 HB3 LYS A 133 10.196 12.328 -9.583 1.00 0.00 H new ATOM 0 HG2 LYS A 133 12.431 11.974 -9.899 1.00 0.00 H new ATOM 0 HG3 LYS A 133 11.984 12.225 -11.574 1.00 0.00 H new ATOM 0 HD2 LYS A 133 12.962 14.318 -11.680 1.00 0.00 H new ATOM 0 HD3 LYS A 133 12.644 14.678 -9.995 1.00 0.00 H new ATOM 0 HE2 LYS A 133 14.449 13.187 -9.277 1.00 0.00 H new ATOM 0 HE3 LYS A 133 14.704 12.638 -10.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 16.328 14.304 -10.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 15.347 14.895 -11.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 15.100 15.427 -9.953 1.00 0.00 H new TER 773 LYS A 133