USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=3 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 Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 108 GLN : amide:sc=-0.000735 X(o=-0.00073,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0305) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= -0.0444 X(o=-0.044,f=0.021!) 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 10.731 11.459 -2.439 1.00 0.00 N ATOM 2 CA ILE A 88 10.653 10.536 -1.312 1.00 0.00 C ATOM 3 C ILE A 88 11.607 9.361 -1.497 1.00 0.00 C ATOM 4 O ILE A 88 11.984 9.025 -2.620 1.00 0.00 O ATOM 5 CB ILE A 88 9.222 9.997 -1.125 1.00 0.00 C ATOM 6 CG1 ILE A 88 8.750 9.287 -2.396 1.00 0.00 C ATOM 7 CG2 ILE A 88 8.273 11.129 -0.760 1.00 0.00 C ATOM 8 CD1 ILE A 88 7.561 8.379 -2.175 1.00 0.00 C ATOM 0 HA ILE A 88 10.940 11.097 -0.423 1.00 0.00 H new ATOM 0 HB ILE A 88 9.226 9.275 -0.309 1.00 0.00 H new ATOM 0 HG12 ILE A 88 8.491 10.035 -3.145 1.00 0.00 H new ATOM 0 HG13 ILE A 88 9.574 8.701 -2.802 1.00 0.00 H new ATOM 0 HG21 ILE A 88 7.266 10.732 -0.631 1.00 0.00 H new ATOM 0 HG22 ILE A 88 8.602 11.594 0.170 1.00 0.00 H new ATOM 0 HG23 ILE A 88 8.271 11.873 -1.557 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.281 7.910 -3.118 1.00 0.00 H new ATOM 0 HD12 ILE A 88 7.821 7.609 -1.449 1.00 0.00 H new ATOM 0 HD13 ILE A 88 6.722 8.964 -1.798 1.00 0.00 H new ATOM 20 N ASP A 89 11.991 8.738 -0.389 1.00 0.00 N ATOM 21 CA ASP A 89 12.899 7.598 -0.429 1.00 0.00 C ATOM 22 C ASP A 89 12.162 6.331 -0.852 1.00 0.00 C ATOM 23 O ASP A 89 11.105 6.005 -0.311 1.00 0.00 O ATOM 24 CB ASP A 89 13.552 7.390 0.938 1.00 0.00 C ATOM 25 CG ASP A 89 15.026 7.745 0.936 1.00 0.00 C ATOM 26 OD1 ASP A 89 15.360 8.888 0.563 1.00 0.00 O ATOM 27 OD2 ASP A 89 15.845 6.879 1.308 1.00 0.00 O ATOM 0 H ASP A 89 11.688 9.003 0.548 1.00 0.00 H new ATOM 0 HA ASP A 89 13.675 7.809 -1.165 1.00 0.00 H new ATOM 0 HB2 ASP A 89 13.036 7.999 1.680 1.00 0.00 H new ATOM 0 HB3 ASP A 89 13.432 6.350 1.240 1.00 0.00 H new ATOM 32 N VAL A 90 12.727 5.620 -1.823 1.00 0.00 N ATOM 33 CA VAL A 90 12.124 4.389 -2.319 1.00 0.00 C ATOM 34 C VAL A 90 12.000 3.351 -1.208 1.00 0.00 C ATOM 35 O VAL A 90 11.043 2.577 -1.170 1.00 0.00 O ATOM 36 CB VAL A 90 12.943 3.789 -3.477 1.00 0.00 C ATOM 37 CG1 VAL A 90 14.361 3.478 -3.024 1.00 0.00 C ATOM 38 CG2 VAL A 90 12.263 2.542 -4.021 1.00 0.00 C ATOM 0 H VAL A 90 13.602 5.876 -2.282 1.00 0.00 H new ATOM 0 HA VAL A 90 11.130 4.648 -2.683 1.00 0.00 H new ATOM 0 HB VAL A 90 12.997 4.525 -4.279 1.00 0.00 H new ATOM 0 HG11 VAL A 90 14.924 3.055 -3.856 1.00 0.00 H new ATOM 0 HG12 VAL A 90 14.845 4.395 -2.687 1.00 0.00 H new ATOM 0 HG13 VAL A 90 14.332 2.761 -2.204 1.00 0.00 H new ATOM 0 HG21 VAL A 90 12.856 2.132 -4.839 1.00 0.00 H new ATOM 0 HG22 VAL A 90 12.176 1.800 -3.228 1.00 0.00 H new ATOM 0 HG23 VAL A 90 11.269 2.800 -4.387 1.00 0.00 H new ATOM 48 N LEU A 91 12.974 3.341 -0.305 1.00 0.00 N ATOM 49 CA LEU A 91 12.975 2.398 0.808 1.00 0.00 C ATOM 50 C LEU A 91 11.744 2.593 1.687 1.00 0.00 C ATOM 51 O LEU A 91 11.052 1.632 2.025 1.00 0.00 O ATOM 52 CB LEU A 91 14.244 2.567 1.644 1.00 0.00 C ATOM 53 CG LEU A 91 15.108 1.316 1.813 1.00 0.00 C ATOM 54 CD1 LEU A 91 16.575 1.694 1.947 1.00 0.00 C ATOM 55 CD2 LEU A 91 14.650 0.513 3.023 1.00 0.00 C ATOM 0 H LEU A 91 13.773 3.975 -0.322 1.00 0.00 H new ATOM 0 HA LEU A 91 12.950 1.389 0.397 1.00 0.00 H new ATOM 0 HB2 LEU A 91 14.854 3.347 1.188 1.00 0.00 H new ATOM 0 HB3 LEU A 91 13.958 2.923 2.634 1.00 0.00 H new ATOM 0 HG LEU A 91 14.994 0.696 0.924 1.00 0.00 H new ATOM 0 HD11 LEU A 91 17.174 0.791 2.066 1.00 0.00 H new ATOM 0 HD12 LEU A 91 16.897 2.227 1.052 1.00 0.00 H new ATOM 0 HD13 LEU A 91 16.707 2.335 2.819 1.00 0.00 H new ATOM 0 HD21 LEU A 91 15.275 -0.374 3.129 1.00 0.00 H new ATOM 0 HD22 LEU A 91 14.735 1.126 3.920 1.00 0.00 H new ATOM 0 HD23 LEU A 91 13.612 0.211 2.887 1.00 0.00 H new ATOM 67 N ARG A 92 11.475 3.842 2.052 1.00 0.00 N ATOM 68 CA ARG A 92 10.326 4.163 2.890 1.00 0.00 C ATOM 69 C ARG A 92 9.024 3.758 2.206 1.00 0.00 C ATOM 70 O ARG A 92 8.113 3.233 2.846 1.00 0.00 O ATOM 71 CB ARG A 92 10.304 5.659 3.210 1.00 0.00 C ATOM 72 CG ARG A 92 10.716 5.983 4.636 1.00 0.00 C ATOM 73 CD ARG A 92 9.506 6.146 5.543 1.00 0.00 C ATOM 74 NE ARG A 92 9.887 6.513 6.904 1.00 0.00 N ATOM 75 CZ ARG A 92 9.089 6.365 7.956 1.00 0.00 C ATOM 76 NH1 ARG A 92 7.873 5.858 7.804 1.00 0.00 N ATOM 77 NH2 ARG A 92 9.508 6.723 9.163 1.00 0.00 N ATOM 0 H ARG A 92 12.037 4.649 1.780 1.00 0.00 H new ATOM 0 HA ARG A 92 10.417 3.601 3.820 1.00 0.00 H new ATOM 0 HB2 ARG A 92 10.970 6.179 2.521 1.00 0.00 H new ATOM 0 HB3 ARG A 92 9.300 6.045 3.034 1.00 0.00 H new ATOM 0 HG2 ARG A 92 11.356 5.188 5.020 1.00 0.00 H new ATOM 0 HG3 ARG A 92 11.306 6.900 4.646 1.00 0.00 H new ATOM 0 HD2 ARG A 92 8.846 6.910 5.133 1.00 0.00 H new ATOM 0 HD3 ARG A 92 8.941 5.214 5.564 1.00 0.00 H new ATOM 0 HE ARG A 92 10.817 6.904 7.055 1.00 0.00 H new ATOM 0 HH11 ARG A 92 7.548 5.581 6.878 1.00 0.00 H new ATOM 0 HH12 ARG A 92 7.263 5.745 8.613 1.00 0.00 H new ATOM 0 HH21 ARG A 92 10.443 7.112 9.284 1.00 0.00 H new ATOM 0 HH22 ARG A 92 8.895 6.609 9.970 1.00 0.00 H new ATOM 91 N ALA A 93 8.944 4.007 0.904 1.00 0.00 N ATOM 92 CA ALA A 93 7.754 3.667 0.133 1.00 0.00 C ATOM 93 C ALA A 93 7.604 2.156 -0.007 1.00 0.00 C ATOM 94 O ALA A 93 6.491 1.638 -0.094 1.00 0.00 O ATOM 95 CB ALA A 93 7.808 4.324 -1.238 1.00 0.00 C ATOM 0 H ALA A 93 9.689 4.443 0.360 1.00 0.00 H new ATOM 0 HA ALA A 93 6.883 4.044 0.670 1.00 0.00 H new ATOM 0 HB1 ALA A 93 6.913 4.062 -1.803 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.859 5.407 -1.121 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.691 3.975 -1.774 1.00 0.00 H new ATOM 101 N LYS A 94 8.731 1.454 -0.029 1.00 0.00 N ATOM 102 CA LYS A 94 8.727 0.001 -0.159 1.00 0.00 C ATOM 103 C LYS A 94 8.140 -0.654 1.086 1.00 0.00 C ATOM 104 O LYS A 94 7.466 -1.680 1.001 1.00 0.00 O ATOM 105 CB LYS A 94 10.147 -0.515 -0.398 1.00 0.00 C ATOM 106 CG LYS A 94 10.292 -1.325 -1.674 1.00 0.00 C ATOM 107 CD LYS A 94 10.310 -0.432 -2.904 1.00 0.00 C ATOM 108 CE LYS A 94 9.296 -0.890 -3.941 1.00 0.00 C ATOM 109 NZ LYS A 94 9.569 -0.302 -5.281 1.00 0.00 N ATOM 0 H LYS A 94 9.661 1.868 0.042 1.00 0.00 H new ATOM 0 HA LYS A 94 8.104 -0.260 -1.014 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.831 0.333 -0.436 1.00 0.00 H new ATOM 0 HB3 LYS A 94 10.449 -1.130 0.450 1.00 0.00 H new ATOM 0 HG2 LYS A 94 11.212 -1.908 -1.633 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.468 -2.035 -1.751 1.00 0.00 H new ATOM 0 HD2 LYS A 94 10.094 0.596 -2.612 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.308 -0.436 -3.343 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.314 -1.978 -4.011 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.294 -0.608 -3.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.856 -0.638 -5.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 9.527 0.735 -5.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.515 -0.592 -5.601 1.00 0.00 H new ATOM 123 N ALA A 95 8.399 -0.053 2.244 1.00 0.00 N ATOM 124 CA ALA A 95 7.894 -0.577 3.506 1.00 0.00 C ATOM 125 C ALA A 95 6.370 -0.524 3.553 1.00 0.00 C ATOM 126 O ALA A 95 5.714 -1.525 3.837 1.00 0.00 O ATOM 127 CB ALA A 95 8.486 0.199 4.674 1.00 0.00 C ATOM 0 H ALA A 95 8.956 0.797 2.333 1.00 0.00 H new ATOM 0 HA ALA A 95 8.198 -1.621 3.585 1.00 0.00 H new ATOM 0 HB1 ALA A 95 8.100 -0.203 5.611 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.572 0.106 4.659 1.00 0.00 H new ATOM 0 HB3 ALA A 95 8.210 1.250 4.589 1.00 0.00 H new ATOM 133 N ALA A 96 5.815 0.650 3.271 1.00 0.00 N ATOM 134 CA ALA A 96 4.369 0.833 3.279 1.00 0.00 C ATOM 135 C ALA A 96 3.700 -0.037 2.220 1.00 0.00 C ATOM 136 O ALA A 96 2.559 -0.470 2.387 1.00 0.00 O ATOM 137 CB ALA A 96 4.020 2.297 3.058 1.00 0.00 C ATOM 0 H ALA A 96 6.345 1.489 3.034 1.00 0.00 H new ATOM 0 HA ALA A 96 3.995 0.525 4.255 1.00 0.00 H new ATOM 0 HB1 ALA A 96 2.937 2.418 3.066 1.00 0.00 H new ATOM 0 HB2 ALA A 96 4.459 2.900 3.853 1.00 0.00 H new ATOM 0 HB3 ALA A 96 4.414 2.624 2.096 1.00 0.00 H new ATOM 143 N LYS A 97 4.416 -0.290 1.130 1.00 0.00 N ATOM 144 CA LYS A 97 3.893 -1.109 0.044 1.00 0.00 C ATOM 145 C LYS A 97 3.847 -2.580 0.443 1.00 0.00 C ATOM 146 O LYS A 97 2.892 -3.289 0.130 1.00 0.00 O ATOM 147 CB LYS A 97 4.752 -0.937 -1.211 1.00 0.00 C ATOM 148 CG LYS A 97 4.053 -1.367 -2.490 1.00 0.00 C ATOM 149 CD LYS A 97 5.052 -1.687 -3.590 1.00 0.00 C ATOM 150 CE LYS A 97 4.786 -0.863 -4.840 1.00 0.00 C ATOM 151 NZ LYS A 97 5.619 -1.315 -5.990 1.00 0.00 N ATOM 0 H LYS A 97 5.361 0.061 0.975 1.00 0.00 H new ATOM 0 HA LYS A 97 2.877 -0.778 -0.169 1.00 0.00 H new ATOM 0 HB2 LYS A 97 5.044 0.109 -1.301 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.669 -1.515 -1.096 1.00 0.00 H new ATOM 0 HG2 LYS A 97 3.436 -2.243 -2.292 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.384 -0.574 -2.824 1.00 0.00 H new ATOM 0 HD2 LYS A 97 6.063 -1.492 -3.233 1.00 0.00 H new ATOM 0 HD3 LYS A 97 4.999 -2.748 -3.834 1.00 0.00 H new ATOM 0 HE2 LYS A 97 3.731 -0.935 -5.105 1.00 0.00 H new ATOM 0 HE3 LYS A 97 4.992 0.187 -4.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 5.409 -0.729 -6.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 6.626 -1.222 -5.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 5.405 -2.310 -6.204 1.00 0.00 H new ATOM 165 N GLU A 98 4.886 -3.031 1.140 1.00 0.00 N ATOM 166 CA GLU A 98 4.963 -4.418 1.584 1.00 0.00 C ATOM 167 C GLU A 98 3.860 -4.729 2.592 1.00 0.00 C ATOM 168 O GLU A 98 3.229 -5.784 2.532 1.00 0.00 O ATOM 169 CB GLU A 98 6.332 -4.703 2.204 1.00 0.00 C ATOM 170 CG GLU A 98 6.629 -6.184 2.370 1.00 0.00 C ATOM 171 CD GLU A 98 7.333 -6.496 3.677 1.00 0.00 C ATOM 172 OE1 GLU A 98 8.164 -5.672 4.112 1.00 0.00 O ATOM 173 OE2 GLU A 98 7.054 -7.562 4.261 1.00 0.00 O ATOM 0 H GLU A 98 5.685 -2.457 1.409 1.00 0.00 H new ATOM 0 HA GLU A 98 4.826 -5.059 0.713 1.00 0.00 H new ATOM 0 HB2 GLU A 98 7.105 -4.254 1.580 1.00 0.00 H new ATOM 0 HB3 GLU A 98 6.388 -4.218 3.179 1.00 0.00 H new ATOM 0 HG2 GLU A 98 5.696 -6.745 2.321 1.00 0.00 H new ATOM 0 HG3 GLU A 98 7.248 -6.522 1.539 1.00 0.00 H new ATOM 180 N ARG A 99 3.635 -3.803 3.518 1.00 0.00 N ATOM 181 CA ARG A 99 2.611 -3.978 4.541 1.00 0.00 C ATOM 182 C ARG A 99 1.241 -4.196 3.906 1.00 0.00 C ATOM 183 O ARG A 99 0.551 -5.167 4.214 1.00 0.00 O ATOM 184 CB ARG A 99 2.569 -2.759 5.465 1.00 0.00 C ATOM 185 CG ARG A 99 3.840 -2.565 6.276 1.00 0.00 C ATOM 186 CD ARG A 99 3.572 -2.681 7.768 1.00 0.00 C ATOM 187 NE ARG A 99 2.889 -1.503 8.295 1.00 0.00 N ATOM 188 CZ ARG A 99 3.470 -0.315 8.427 1.00 0.00 C ATOM 189 NH1 ARG A 99 4.737 -0.150 8.072 1.00 0.00 N ATOM 190 NH2 ARG A 99 2.783 0.710 8.915 1.00 0.00 N ATOM 0 H ARG A 99 4.148 -2.924 3.581 1.00 0.00 H new ATOM 0 HA ARG A 99 2.866 -4.861 5.127 1.00 0.00 H new ATOM 0 HB2 ARG A 99 2.390 -1.866 4.866 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.725 -2.860 6.147 1.00 0.00 H new ATOM 0 HG2 ARG A 99 4.579 -3.309 5.979 1.00 0.00 H new ATOM 0 HG3 ARG A 99 4.267 -1.586 6.057 1.00 0.00 H new ATOM 0 HD2 ARG A 99 2.967 -3.567 7.960 1.00 0.00 H new ATOM 0 HD3 ARG A 99 4.515 -2.819 8.296 1.00 0.00 H new ATOM 0 HE ARG A 99 1.913 -1.597 8.577 1.00 0.00 H new ATOM 0 HH11 ARG A 99 5.268 -0.936 7.697 1.00 0.00 H new ATOM 0 HH12 ARG A 99 5.181 0.763 8.174 1.00 0.00 H new ATOM 0 HH21 ARG A 99 1.808 0.586 9.189 1.00 0.00 H new ATOM 0 HH22 ARG A 99 3.230 1.621 9.016 1.00 0.00 H new ATOM 204 N ALA A 100 0.854 -3.285 3.019 1.00 0.00 N ATOM 205 CA ALA A 100 -0.433 -3.379 2.340 1.00 0.00 C ATOM 206 C ALA A 100 -0.557 -4.694 1.578 1.00 0.00 C ATOM 207 O ALA A 100 -1.634 -5.286 1.517 1.00 0.00 O ATOM 208 CB ALA A 100 -0.618 -2.201 1.395 1.00 0.00 C ATOM 0 H ALA A 100 1.413 -2.474 2.754 1.00 0.00 H new ATOM 0 HA ALA A 100 -1.218 -3.352 3.096 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -1.583 -2.284 0.895 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -0.582 -1.271 1.962 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.178 -2.203 0.650 1.00 0.00 H new ATOM 214 N GLU A 101 0.551 -5.145 1.000 1.00 0.00 N ATOM 215 CA GLU A 101 0.564 -6.390 0.241 1.00 0.00 C ATOM 216 C GLU A 101 0.125 -7.563 1.113 1.00 0.00 C ATOM 217 O GLU A 101 -0.629 -8.430 0.672 1.00 0.00 O ATOM 218 CB GLU A 101 1.961 -6.655 -0.323 1.00 0.00 C ATOM 219 CG GLU A 101 2.163 -6.112 -1.728 1.00 0.00 C ATOM 220 CD GLU A 101 2.099 -7.196 -2.787 1.00 0.00 C ATOM 221 OE1 GLU A 101 1.008 -7.771 -2.981 1.00 0.00 O ATOM 222 OE2 GLU A 101 3.140 -7.469 -3.420 1.00 0.00 O ATOM 0 H GLU A 101 1.451 -4.667 1.043 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.140 -6.289 -0.585 1.00 0.00 H new ATOM 0 HB2 GLU A 101 2.702 -6.209 0.340 1.00 0.00 H new ATOM 0 HB3 GLU A 101 2.144 -7.730 -0.328 1.00 0.00 H new ATOM 0 HG2 GLU A 101 1.401 -5.361 -1.936 1.00 0.00 H new ATOM 0 HG3 GLU A 101 3.129 -5.611 -1.784 1.00 0.00 H new ATOM 229 N ARG A 102 0.605 -7.583 2.352 1.00 0.00 N ATOM 230 CA ARG A 102 0.264 -8.650 3.286 1.00 0.00 C ATOM 231 C ARG A 102 -1.207 -8.575 3.684 1.00 0.00 C ATOM 232 O ARG A 102 -1.877 -9.600 3.816 1.00 0.00 O ATOM 233 CB ARG A 102 1.145 -8.565 4.534 1.00 0.00 C ATOM 234 CG ARG A 102 2.587 -8.979 4.291 1.00 0.00 C ATOM 235 CD ARG A 102 3.526 -8.357 5.313 1.00 0.00 C ATOM 236 NE ARG A 102 3.982 -9.332 6.300 1.00 0.00 N ATOM 237 CZ ARG A 102 4.973 -10.190 6.083 1.00 0.00 C ATOM 238 NH1 ARG A 102 5.607 -10.193 4.918 1.00 0.00 N ATOM 239 NH2 ARG A 102 5.331 -11.047 7.030 1.00 0.00 N ATOM 0 H ARG A 102 1.231 -6.873 2.732 1.00 0.00 H new ATOM 0 HA ARG A 102 0.440 -9.604 2.789 1.00 0.00 H new ATOM 0 HB2 ARG A 102 1.128 -7.543 4.911 1.00 0.00 H new ATOM 0 HB3 ARG A 102 0.720 -9.199 5.312 1.00 0.00 H new ATOM 0 HG2 ARG A 102 2.667 -10.065 4.336 1.00 0.00 H new ATOM 0 HG3 ARG A 102 2.889 -8.678 3.288 1.00 0.00 H new ATOM 0 HD2 ARG A 102 4.388 -7.929 4.801 1.00 0.00 H new ATOM 0 HD3 ARG A 102 3.018 -7.537 5.821 1.00 0.00 H new ATOM 0 HE ARG A 102 3.514 -9.356 7.206 1.00 0.00 H new ATOM 0 HH11 ARG A 102 5.334 -9.536 4.187 1.00 0.00 H new ATOM 0 HH12 ARG A 102 6.368 -10.852 4.753 1.00 0.00 H new ATOM 0 HH21 ARG A 102 4.845 -11.048 7.927 1.00 0.00 H new ATOM 0 HH22 ARG A 102 6.092 -11.705 6.861 1.00 0.00 H new ATOM 253 N ARG A 103 -1.703 -7.357 3.872 1.00 0.00 N ATOM 254 CA ARG A 103 -3.094 -7.149 4.257 1.00 0.00 C ATOM 255 C ARG A 103 -4.036 -7.549 3.125 1.00 0.00 C ATOM 256 O ARG A 103 -5.152 -8.011 3.365 1.00 0.00 O ATOM 257 CB ARG A 103 -3.327 -5.685 4.635 1.00 0.00 C ATOM 258 CG ARG A 103 -2.447 -5.204 5.777 1.00 0.00 C ATOM 259 CD ARG A 103 -2.918 -3.861 6.315 1.00 0.00 C ATOM 260 NE ARG A 103 -1.877 -2.841 6.226 1.00 0.00 N ATOM 261 CZ ARG A 103 -1.957 -1.655 6.819 1.00 0.00 C ATOM 262 NH1 ARG A 103 -3.025 -1.342 7.541 1.00 0.00 N ATOM 263 NH2 ARG A 103 -0.969 -0.779 6.691 1.00 0.00 N ATOM 0 H ARG A 103 -1.162 -6.499 3.764 1.00 0.00 H new ATOM 0 HA ARG A 103 -3.304 -7.778 5.122 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -3.147 -5.060 3.761 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -4.373 -5.552 4.912 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -2.455 -5.942 6.579 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -1.416 -5.118 5.433 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -3.795 -3.534 5.756 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -3.226 -3.975 7.354 1.00 0.00 H new ATOM 0 HE ARG A 103 -1.042 -3.051 5.678 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -3.787 -2.013 7.642 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -3.084 -0.431 7.995 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -0.146 -1.016 6.137 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -1.032 0.131 7.147 1.00 0.00 H new ATOM 277 N LEU A 104 -3.579 -7.368 1.890 1.00 0.00 N ATOM 278 CA LEU A 104 -4.381 -7.710 0.721 1.00 0.00 C ATOM 279 C LEU A 104 -4.764 -9.186 0.736 1.00 0.00 C ATOM 280 O LEU A 104 -5.917 -9.540 0.491 1.00 0.00 O ATOM 281 CB LEU A 104 -3.613 -7.384 -0.560 1.00 0.00 C ATOM 282 CG LEU A 104 -4.321 -6.459 -1.551 1.00 0.00 C ATOM 283 CD1 LEU A 104 -4.296 -5.023 -1.052 1.00 0.00 C ATOM 284 CD2 LEU A 104 -3.679 -6.559 -2.926 1.00 0.00 C ATOM 0 H LEU A 104 -2.658 -6.987 1.673 1.00 0.00 H new ATOM 0 HA LEU A 104 -5.295 -7.117 0.751 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.662 -6.928 -0.284 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -3.382 -8.320 -1.069 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.361 -6.775 -1.634 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.804 -4.379 -1.770 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -4.803 -4.964 -0.089 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.263 -4.695 -0.939 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.196 -5.894 -3.618 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.630 -6.270 -2.860 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -3.750 -7.585 -3.287 1.00 0.00 H new ATOM 296 N GLN A 105 -3.790 -10.043 1.026 1.00 0.00 N ATOM 297 CA GLN A 105 -4.027 -11.480 1.075 1.00 0.00 C ATOM 298 C GLN A 105 -5.197 -11.809 1.995 1.00 0.00 C ATOM 299 O GLN A 105 -5.955 -12.745 1.742 1.00 0.00 O ATOM 300 CB GLN A 105 -2.769 -12.210 1.549 1.00 0.00 C ATOM 301 CG GLN A 105 -2.616 -13.604 0.962 1.00 0.00 C ATOM 302 CD GLN A 105 -1.945 -14.570 1.918 1.00 0.00 C ATOM 303 OE1 GLN A 105 -1.013 -14.205 2.635 1.00 0.00 O ATOM 304 NE2 GLN A 105 -2.416 -15.811 1.934 1.00 0.00 N ATOM 0 H GLN A 105 -2.830 -9.767 1.230 1.00 0.00 H new ATOM 0 HA GLN A 105 -4.276 -11.815 0.068 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -1.894 -11.616 1.286 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -2.790 -12.283 2.636 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -3.599 -13.990 0.692 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -2.033 -13.545 0.043 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -3.190 -16.071 1.323 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -2.004 -16.505 2.558 1.00 0.00 H new ATOM 313 N SER A 106 -5.338 -11.032 3.065 1.00 0.00 N ATOM 314 CA SER A 106 -6.414 -11.243 4.027 1.00 0.00 C ATOM 315 C SER A 106 -7.763 -10.867 3.423 1.00 0.00 C ATOM 316 O SER A 106 -7.910 -9.804 2.819 1.00 0.00 O ATOM 317 CB SER A 106 -6.162 -10.423 5.294 1.00 0.00 C ATOM 318 OG SER A 106 -5.408 -11.162 6.238 1.00 0.00 O ATOM 0 H SER A 106 -4.721 -10.251 3.287 1.00 0.00 H new ATOM 0 HA SER A 106 -6.434 -12.301 4.287 1.00 0.00 H new ATOM 0 HB2 SER A 106 -5.631 -9.506 5.038 1.00 0.00 H new ATOM 0 HB3 SER A 106 -7.114 -10.128 5.735 1.00 0.00 H new ATOM 0 HG SER A 106 -5.259 -10.615 7.038 1.00 0.00 H new ATOM 324 N GLN A 107 -8.745 -11.747 3.591 1.00 0.00 N ATOM 325 CA GLN A 107 -10.083 -11.508 3.061 1.00 0.00 C ATOM 326 C GLN A 107 -11.072 -11.227 4.189 1.00 0.00 C ATOM 327 O GLN A 107 -11.854 -10.280 4.118 1.00 0.00 O ATOM 328 CB GLN A 107 -10.553 -12.711 2.243 1.00 0.00 C ATOM 329 CG GLN A 107 -10.501 -12.482 0.740 1.00 0.00 C ATOM 330 CD GLN A 107 -10.453 -13.777 -0.046 1.00 0.00 C ATOM 331 OE1 GLN A 107 -9.542 -14.588 0.126 1.00 0.00 O ATOM 332 NE2 GLN A 107 -11.435 -13.978 -0.916 1.00 0.00 N ATOM 0 H GLN A 107 -8.640 -12.631 4.089 1.00 0.00 H new ATOM 0 HA GLN A 107 -10.039 -10.633 2.413 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -9.935 -13.573 2.492 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -11.575 -12.958 2.530 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -11.375 -11.907 0.433 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -9.624 -11.882 0.498 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -12.170 -13.279 -1.026 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -11.455 -14.831 -1.474 1.00 0.00 H new ATOM 341 N GLN A 108 -11.031 -12.058 5.225 1.00 0.00 N ATOM 342 CA GLN A 108 -11.925 -11.899 6.366 1.00 0.00 C ATOM 343 C GLN A 108 -11.762 -10.520 6.997 1.00 0.00 C ATOM 344 O GLN A 108 -12.698 -9.984 7.591 1.00 0.00 O ATOM 345 CB GLN A 108 -11.653 -12.985 7.409 1.00 0.00 C ATOM 346 CG GLN A 108 -12.759 -14.024 7.508 1.00 0.00 C ATOM 347 CD GLN A 108 -12.373 -15.206 8.375 1.00 0.00 C ATOM 348 OE1 GLN A 108 -12.128 -15.058 9.574 1.00 0.00 O ATOM 349 NE2 GLN A 108 -12.317 -16.388 7.774 1.00 0.00 N ATOM 0 H GLN A 108 -10.389 -12.847 5.298 1.00 0.00 H new ATOM 0 HA GLN A 108 -12.950 -11.996 6.009 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -10.716 -13.486 7.164 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -11.518 -12.516 8.384 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -13.656 -13.557 7.915 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -13.010 -14.378 6.508 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -12.528 -16.465 6.779 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -12.063 -17.220 8.307 1.00 0.00 H new ATOM 358 N ASP A 109 -10.569 -9.951 6.865 1.00 0.00 N ATOM 359 CA ASP A 109 -10.284 -8.634 7.421 1.00 0.00 C ATOM 360 C ASP A 109 -10.659 -7.534 6.433 1.00 0.00 C ATOM 361 O ASP A 109 -9.838 -6.680 6.099 1.00 0.00 O ATOM 362 CB ASP A 109 -8.804 -8.522 7.791 1.00 0.00 C ATOM 363 CG ASP A 109 -8.561 -7.533 8.913 1.00 0.00 C ATOM 364 OD1 ASP A 109 -9.495 -7.295 9.708 1.00 0.00 O ATOM 365 OD2 ASP A 109 -7.437 -6.997 8.998 1.00 0.00 O ATOM 0 H ASP A 109 -9.783 -10.382 6.377 1.00 0.00 H new ATOM 0 HA ASP A 109 -10.886 -8.509 8.321 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -8.432 -9.502 8.088 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -8.235 -8.217 6.913 1.00 0.00 H new ATOM 370 N ASP A 110 -11.904 -7.562 5.969 1.00 0.00 N ATOM 371 CA ASP A 110 -12.388 -6.567 5.019 1.00 0.00 C ATOM 372 C ASP A 110 -12.340 -5.168 5.625 1.00 0.00 C ATOM 373 O ASP A 110 -12.112 -4.184 4.921 1.00 0.00 O ATOM 374 CB ASP A 110 -13.816 -6.900 4.582 1.00 0.00 C ATOM 375 CG ASP A 110 -14.810 -6.785 5.721 1.00 0.00 C ATOM 376 OD1 ASP A 110 -15.182 -5.646 6.072 1.00 0.00 O ATOM 377 OD2 ASP A 110 -15.217 -7.835 6.261 1.00 0.00 O ATOM 0 H ASP A 110 -12.596 -8.263 6.235 1.00 0.00 H new ATOM 0 HA ASP A 110 -11.736 -6.587 4.146 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -14.112 -6.229 3.776 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -13.843 -7.913 4.180 1.00 0.00 H new ATOM 382 N ILE A 111 -12.559 -5.088 6.933 1.00 0.00 N ATOM 383 CA ILE A 111 -12.542 -3.810 7.633 1.00 0.00 C ATOM 384 C ILE A 111 -11.217 -3.085 7.421 1.00 0.00 C ATOM 385 O ILE A 111 -11.159 -1.856 7.447 1.00 0.00 O ATOM 386 CB ILE A 111 -12.778 -3.993 9.144 1.00 0.00 C ATOM 387 CG1 ILE A 111 -11.738 -4.948 9.733 1.00 0.00 C ATOM 388 CG2 ILE A 111 -14.185 -4.509 9.401 1.00 0.00 C ATOM 389 CD1 ILE A 111 -11.813 -5.069 11.239 1.00 0.00 C ATOM 0 H ILE A 111 -12.750 -5.893 7.529 1.00 0.00 H new ATOM 0 HA ILE A 111 -13.352 -3.211 7.217 1.00 0.00 H new ATOM 0 HB ILE A 111 -12.672 -3.025 9.633 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -11.871 -5.935 9.290 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -10.742 -4.605 9.453 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -14.337 -4.633 10.473 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -14.911 -3.795 9.012 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -14.317 -5.469 8.902 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -11.047 -5.762 11.587 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -11.650 -4.091 11.691 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -12.796 -5.442 11.526 1.00 0.00 H new ATOM 401 N ASP A 112 -10.155 -3.855 7.210 1.00 0.00 N ATOM 402 CA ASP A 112 -8.830 -3.287 6.990 1.00 0.00 C ATOM 403 C ASP A 112 -8.607 -2.984 5.511 1.00 0.00 C ATOM 404 O ASP A 112 -7.824 -2.103 5.158 1.00 0.00 O ATOM 405 CB ASP A 112 -7.750 -4.245 7.495 1.00 0.00 C ATOM 406 CG ASP A 112 -6.422 -3.551 7.726 1.00 0.00 C ATOM 407 OD1 ASP A 112 -5.859 -3.010 6.751 1.00 0.00 O ATOM 408 OD2 ASP A 112 -5.946 -3.549 8.879 1.00 0.00 O ATOM 0 H ASP A 112 -10.186 -4.874 7.187 1.00 0.00 H new ATOM 0 HA ASP A 112 -8.766 -2.353 7.548 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -8.083 -4.705 8.425 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -7.615 -5.050 6.772 1.00 0.00 H new ATOM 413 N PHE A 113 -9.301 -3.722 4.651 1.00 0.00 N ATOM 414 CA PHE A 113 -9.177 -3.535 3.210 1.00 0.00 C ATOM 415 C PHE A 113 -9.417 -2.077 2.828 1.00 0.00 C ATOM 416 O PHE A 113 -8.775 -1.546 1.922 1.00 0.00 O ATOM 417 CB PHE A 113 -10.167 -4.437 2.469 1.00 0.00 C ATOM 418 CG PHE A 113 -9.527 -5.288 1.411 1.00 0.00 C ATOM 419 CD1 PHE A 113 -8.690 -4.722 0.461 1.00 0.00 C ATOM 420 CD2 PHE A 113 -9.761 -6.652 1.363 1.00 0.00 C ATOM 421 CE1 PHE A 113 -8.100 -5.503 -0.514 1.00 0.00 C ATOM 422 CE2 PHE A 113 -9.173 -7.438 0.390 1.00 0.00 C ATOM 423 CZ PHE A 113 -8.341 -6.862 -0.549 1.00 0.00 C ATOM 0 H PHE A 113 -9.955 -4.455 4.927 1.00 0.00 H new ATOM 0 HA PHE A 113 -8.162 -3.806 2.920 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -10.667 -5.083 3.190 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -10.937 -3.817 2.009 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -8.497 -3.660 0.484 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -10.411 -7.107 2.095 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -7.450 -5.051 -1.249 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -9.364 -8.501 0.364 1.00 0.00 H new ATOM 0 HZ PHE A 113 -7.879 -7.474 -1.310 1.00 0.00 H new ATOM 433 N LYS A 114 -10.346 -1.434 3.528 1.00 0.00 N ATOM 434 CA LYS A 114 -10.672 -0.037 3.265 1.00 0.00 C ATOM 435 C LYS A 114 -9.442 0.849 3.433 1.00 0.00 C ATOM 436 O LYS A 114 -9.123 1.655 2.559 1.00 0.00 O ATOM 437 CB LYS A 114 -11.785 0.433 4.204 1.00 0.00 C ATOM 438 CG LYS A 114 -13.013 0.956 3.478 1.00 0.00 C ATOM 439 CD LYS A 114 -14.283 0.689 4.267 1.00 0.00 C ATOM 440 CE LYS A 114 -15.521 0.825 3.393 1.00 0.00 C ATOM 441 NZ LYS A 114 -15.697 -0.347 2.492 1.00 0.00 N ATOM 0 H LYS A 114 -10.886 -1.858 4.282 1.00 0.00 H new ATOM 0 HA LYS A 114 -11.017 0.043 2.234 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -12.079 -0.396 4.848 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -11.395 1.218 4.852 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -12.908 2.028 3.308 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -13.086 0.484 2.498 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -14.245 -0.314 4.692 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -14.347 1.387 5.102 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -16.402 0.932 4.026 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -15.446 1.734 2.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -16.625 -0.290 2.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -14.947 -0.347 1.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -15.642 -1.224 3.048 1.00 0.00 H new ATOM 455 N ARG A 115 -8.756 0.694 4.561 1.00 0.00 N ATOM 456 CA ARG A 115 -7.561 1.481 4.842 1.00 0.00 C ATOM 457 C ARG A 115 -6.409 1.063 3.934 1.00 0.00 C ATOM 458 O ARG A 115 -5.746 1.905 3.328 1.00 0.00 O ATOM 459 CB ARG A 115 -7.154 1.321 6.308 1.00 0.00 C ATOM 460 CG ARG A 115 -7.545 2.503 7.181 1.00 0.00 C ATOM 461 CD ARG A 115 -8.393 2.064 8.364 1.00 0.00 C ATOM 462 NE ARG A 115 -7.732 1.034 9.160 1.00 0.00 N ATOM 463 CZ ARG A 115 -6.787 1.293 10.058 1.00 0.00 C ATOM 464 NH1 ARG A 115 -6.395 2.541 10.271 1.00 0.00 N ATOM 465 NH2 ARG A 115 -6.232 0.302 10.743 1.00 0.00 N ATOM 0 H ARG A 115 -9.007 0.031 5.295 1.00 0.00 H new ATOM 0 HA ARG A 115 -7.791 2.529 4.648 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -7.614 0.417 6.707 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -6.075 1.181 6.363 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -6.646 3.004 7.542 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -8.097 3.230 6.585 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -8.609 2.926 8.995 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -9.349 1.685 8.003 1.00 0.00 H new ATOM 0 HE ARG A 115 -8.011 0.063 9.019 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -6.819 3.305 9.745 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -5.670 2.737 10.961 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -6.530 -0.660 10.581 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -5.507 0.502 11.432 1.00 0.00 H new ATOM 479 N ALA A 116 -6.175 -0.242 3.845 1.00 0.00 N ATOM 480 CA ALA A 116 -5.104 -0.772 3.011 1.00 0.00 C ATOM 481 C ALA A 116 -5.248 -0.299 1.568 1.00 0.00 C ATOM 482 O ALA A 116 -4.262 -0.197 0.838 1.00 0.00 O ATOM 483 CB ALA A 116 -5.091 -2.292 3.071 1.00 0.00 C ATOM 0 H ALA A 116 -6.714 -0.952 4.341 1.00 0.00 H new ATOM 0 HA ALA A 116 -4.156 -0.396 3.397 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -4.286 -2.674 2.443 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -4.933 -2.614 4.100 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -6.045 -2.678 2.713 1.00 0.00 H new ATOM 489 N GLU A 117 -6.482 -0.013 1.164 1.00 0.00 N ATOM 490 CA GLU A 117 -6.752 0.448 -0.193 1.00 0.00 C ATOM 491 C GLU A 117 -6.333 1.905 -0.366 1.00 0.00 C ATOM 492 O GLU A 117 -5.573 2.240 -1.275 1.00 0.00 O ATOM 493 CB GLU A 117 -8.239 0.291 -0.520 1.00 0.00 C ATOM 494 CG GLU A 117 -8.567 0.530 -1.985 1.00 0.00 C ATOM 495 CD GLU A 117 -9.681 1.541 -2.175 1.00 0.00 C ATOM 496 OE1 GLU A 117 -10.861 1.132 -2.173 1.00 0.00 O ATOM 497 OE2 GLU A 117 -9.373 2.742 -2.325 1.00 0.00 O ATOM 0 H GLU A 117 -7.309 -0.092 1.756 1.00 0.00 H new ATOM 0 HA GLU A 117 -6.168 -0.163 -0.881 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -8.559 -0.713 -0.243 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -8.813 0.988 0.091 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -7.673 0.879 -2.502 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -8.855 -0.414 -2.448 1.00 0.00 H new ATOM 504 N LEU A 118 -6.835 2.767 0.510 1.00 0.00 N ATOM 505 CA LEU A 118 -6.514 4.189 0.455 1.00 0.00 C ATOM 506 C LEU A 118 -5.007 4.410 0.529 1.00 0.00 C ATOM 507 O LEU A 118 -4.470 5.318 -0.105 1.00 0.00 O ATOM 508 CB LEU A 118 -7.207 4.933 1.597 1.00 0.00 C ATOM 509 CG LEU A 118 -8.595 5.496 1.288 1.00 0.00 C ATOM 510 CD1 LEU A 118 -9.600 5.045 2.336 1.00 0.00 C ATOM 511 CD2 LEU A 118 -8.549 7.015 1.209 1.00 0.00 C ATOM 0 H LEU A 118 -7.466 2.507 1.268 1.00 0.00 H new ATOM 0 HA LEU A 118 -6.874 4.581 -0.496 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -7.293 4.255 2.446 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -6.565 5.756 1.910 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.914 5.111 0.319 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -10.582 5.456 2.099 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -9.654 3.956 2.343 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -9.286 5.399 3.318 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -9.545 7.398 0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -8.208 7.419 2.162 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -7.861 7.318 0.420 1.00 0.00 H new ATOM 523 N ALA A 119 -4.328 3.573 1.306 1.00 0.00 N ATOM 524 CA ALA A 119 -2.882 3.674 1.461 1.00 0.00 C ATOM 525 C ALA A 119 -2.166 3.305 0.166 1.00 0.00 C ATOM 526 O ALA A 119 -1.246 4.002 -0.266 1.00 0.00 O ATOM 527 CB ALA A 119 -2.409 2.783 2.600 1.00 0.00 C ATOM 0 H ALA A 119 -4.757 2.816 1.839 1.00 0.00 H new ATOM 0 HA ALA A 119 -2.638 4.709 1.700 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -1.327 2.869 2.704 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -2.888 3.094 3.528 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -2.672 1.747 2.385 1.00 0.00 H new ATOM 533 N LEU A 120 -2.591 2.207 -0.447 1.00 0.00 N ATOM 534 CA LEU A 120 -1.989 1.745 -1.694 1.00 0.00 C ATOM 535 C LEU A 120 -2.136 2.794 -2.791 1.00 0.00 C ATOM 536 O LEU A 120 -1.204 3.045 -3.555 1.00 0.00 O ATOM 537 CB LEU A 120 -2.633 0.431 -2.138 1.00 0.00 C ATOM 538 CG LEU A 120 -1.695 -0.595 -2.774 1.00 0.00 C ATOM 539 CD1 LEU A 120 -2.285 -1.993 -2.673 1.00 0.00 C ATOM 540 CD2 LEU A 120 -1.418 -0.236 -4.226 1.00 0.00 C ATOM 0 H LEU A 120 -3.350 1.619 -0.102 1.00 0.00 H new ATOM 0 HA LEU A 120 -0.926 1.579 -1.516 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -3.108 -0.029 -1.271 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -3.425 0.660 -2.851 1.00 0.00 H new ATOM 0 HG LEU A 120 -0.751 -0.581 -2.230 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -1.603 -2.710 -3.131 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -2.432 -2.251 -1.624 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -3.243 -2.022 -3.191 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -0.749 -0.977 -4.663 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -2.355 -0.221 -4.782 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -0.951 0.748 -4.275 1.00 0.00 H new ATOM 552 N LYS A 121 -3.314 3.406 -2.863 1.00 0.00 N ATOM 553 CA LYS A 121 -3.584 4.431 -3.864 1.00 0.00 C ATOM 554 C LYS A 121 -2.649 5.623 -3.689 1.00 0.00 C ATOM 555 O LYS A 121 -2.137 6.171 -4.665 1.00 0.00 O ATOM 556 CB LYS A 121 -5.040 4.893 -3.771 1.00 0.00 C ATOM 557 CG LYS A 121 -5.802 4.771 -5.080 1.00 0.00 C ATOM 558 CD LYS A 121 -6.871 5.844 -5.203 1.00 0.00 C ATOM 559 CE LYS A 121 -7.035 6.304 -6.644 1.00 0.00 C ATOM 560 NZ LYS A 121 -7.707 5.273 -7.482 1.00 0.00 N ATOM 0 H LYS A 121 -4.097 3.209 -2.239 1.00 0.00 H new ATOM 0 HA LYS A 121 -3.409 3.997 -4.848 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -5.550 4.306 -3.007 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -5.062 5.932 -3.443 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -5.107 4.851 -5.916 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -6.264 3.786 -5.143 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -7.821 5.457 -4.833 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -6.607 6.696 -4.576 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -7.616 7.226 -6.667 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -6.056 6.533 -7.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -7.800 5.624 -8.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -7.140 4.401 -7.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -8.651 5.072 -7.095 1.00 0.00 H new ATOM 574 N ARG A 122 -2.430 6.018 -2.439 1.00 0.00 N ATOM 575 CA ARG A 122 -1.556 7.145 -2.137 1.00 0.00 C ATOM 576 C ARG A 122 -0.104 6.812 -2.468 1.00 0.00 C ATOM 577 O ARG A 122 0.626 7.642 -3.007 1.00 0.00 O ATOM 578 CB ARG A 122 -1.678 7.531 -0.661 1.00 0.00 C ATOM 579 CG ARG A 122 -2.848 8.456 -0.368 1.00 0.00 C ATOM 580 CD ARG A 122 -2.657 9.197 0.945 1.00 0.00 C ATOM 581 NE ARG A 122 -3.425 10.438 0.990 1.00 0.00 N ATOM 582 CZ ARG A 122 -3.602 11.153 2.096 1.00 0.00 C ATOM 583 NH1 ARG A 122 -3.068 10.752 3.241 1.00 0.00 N ATOM 584 NH2 ARG A 122 -4.314 12.272 2.057 1.00 0.00 N ATOM 0 H ARG A 122 -2.845 5.575 -1.620 1.00 0.00 H new ATOM 0 HA ARG A 122 -1.867 7.988 -2.754 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -1.784 6.625 -0.065 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -0.755 8.015 -0.343 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -2.957 9.175 -1.180 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -3.770 7.877 -0.329 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -2.959 8.554 1.771 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -1.599 9.420 1.085 1.00 0.00 H new ATOM 0 HE ARG A 122 -3.849 10.774 0.125 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -2.520 9.893 3.275 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -3.205 11.303 4.088 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -4.726 12.584 1.178 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -4.449 12.820 2.906 1.00 0.00 H new ATOM 598 N ALA A 123 0.306 5.591 -2.140 1.00 0.00 N ATOM 599 CA ALA A 123 1.670 5.147 -2.404 1.00 0.00 C ATOM 600 C ALA A 123 1.941 5.069 -3.902 1.00 0.00 C ATOM 601 O ALA A 123 3.020 5.438 -4.367 1.00 0.00 O ATOM 602 CB ALA A 123 1.921 3.797 -1.749 1.00 0.00 C ATOM 0 H ALA A 123 -0.286 4.892 -1.691 1.00 0.00 H new ATOM 0 HA ALA A 123 2.354 5.879 -1.975 1.00 0.00 H new ATOM 0 HB1 ALA A 123 2.943 3.477 -1.954 1.00 0.00 H new ATOM 0 HB2 ALA A 123 1.777 3.883 -0.672 1.00 0.00 H new ATOM 0 HB3 ALA A 123 1.223 3.062 -2.151 1.00 0.00 H new ATOM 608 N MET A 124 0.957 4.586 -4.653 1.00 0.00 N ATOM 609 CA MET A 124 1.091 4.461 -6.100 1.00 0.00 C ATOM 610 C MET A 124 1.304 5.826 -6.746 1.00 0.00 C ATOM 611 O MET A 124 2.201 5.999 -7.571 1.00 0.00 O ATOM 612 CB MET A 124 -0.151 3.791 -6.692 1.00 0.00 C ATOM 613 CG MET A 124 -0.088 2.273 -6.677 1.00 0.00 C ATOM 614 SD MET A 124 -0.500 1.545 -8.275 1.00 0.00 S ATOM 615 CE MET A 124 1.135 1.229 -8.934 1.00 0.00 C ATOM 0 H MET A 124 0.058 4.275 -4.284 1.00 0.00 H new ATOM 0 HA MET A 124 1.963 3.841 -6.307 1.00 0.00 H new ATOM 0 HB2 MET A 124 -1.029 4.115 -6.134 1.00 0.00 H new ATOM 0 HB3 MET A 124 -0.282 4.131 -7.719 1.00 0.00 H new ATOM 0 HG2 MET A 124 0.914 1.958 -6.386 1.00 0.00 H new ATOM 0 HG3 MET A 124 -0.774 1.892 -5.921 1.00 0.00 H new ATOM 0 HE1 MET A 124 1.048 0.777 -9.922 1.00 0.00 H new ATOM 0 HE2 MET A 124 1.684 2.168 -9.011 1.00 0.00 H new ATOM 0 HE3 MET A 124 1.670 0.549 -8.270 1.00 0.00 H new ATOM 625 N ASN A 125 0.474 6.792 -6.368 1.00 0.00 N ATOM 626 CA ASN A 125 0.572 8.141 -6.912 1.00 0.00 C ATOM 627 C ASN A 125 1.915 8.774 -6.559 1.00 0.00 C ATOM 628 O ASN A 125 2.498 9.504 -7.361 1.00 0.00 O ATOM 629 CB ASN A 125 -0.570 9.011 -6.382 1.00 0.00 C ATOM 630 CG ASN A 125 -0.849 10.205 -7.275 1.00 0.00 C ATOM 631 OD1 ASN A 125 0.069 10.805 -7.834 1.00 0.00 O ATOM 632 ND2 ASN A 125 -2.123 10.555 -7.413 1.00 0.00 N ATOM 0 H ASN A 125 -0.274 6.666 -5.687 1.00 0.00 H new ATOM 0 HA ASN A 125 0.496 8.075 -7.997 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -1.473 8.407 -6.295 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -0.322 9.360 -5.380 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -2.373 11.350 -8.001 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -2.852 10.029 -6.931 1.00 0.00 H new ATOM 639 N ARG A 126 2.399 8.488 -5.355 1.00 0.00 N ATOM 640 CA ARG A 126 3.672 9.029 -4.896 1.00 0.00 C ATOM 641 C ARG A 126 4.836 8.404 -5.659 1.00 0.00 C ATOM 642 O ARG A 126 5.880 9.031 -5.842 1.00 0.00 O ATOM 643 CB ARG A 126 3.843 8.785 -3.394 1.00 0.00 C ATOM 644 CG ARG A 126 3.964 10.062 -2.579 1.00 0.00 C ATOM 645 CD ARG A 126 2.634 10.449 -1.951 1.00 0.00 C ATOM 646 NE ARG A 126 1.786 11.191 -2.880 1.00 0.00 N ATOM 647 CZ ARG A 126 0.749 11.929 -2.499 1.00 0.00 C ATOM 648 NH1 ARG A 126 0.434 12.022 -1.214 1.00 0.00 N ATOM 649 NH2 ARG A 126 0.024 12.575 -3.403 1.00 0.00 N ATOM 0 H ARG A 126 1.929 7.885 -4.680 1.00 0.00 H new ATOM 0 HA ARG A 126 3.671 10.102 -5.085 1.00 0.00 H new ATOM 0 HB2 ARG A 126 2.992 8.210 -3.029 1.00 0.00 H new ATOM 0 HB3 ARG A 126 4.732 8.175 -3.233 1.00 0.00 H new ATOM 0 HG2 ARG A 126 4.711 9.927 -1.797 1.00 0.00 H new ATOM 0 HG3 ARG A 126 4.315 10.872 -3.219 1.00 0.00 H new ATOM 0 HD2 ARG A 126 2.112 9.550 -1.623 1.00 0.00 H new ATOM 0 HD3 ARG A 126 2.815 11.054 -1.063 1.00 0.00 H new ATOM 0 HE ARG A 126 2.002 11.140 -3.876 1.00 0.00 H new ATOM 0 HH11 ARG A 126 0.988 11.526 -0.516 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -0.363 12.589 -0.924 1.00 0.00 H new ATOM 0 HH21 ARG A 126 0.262 12.506 -4.392 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -0.772 13.141 -3.109 1.00 0.00 H new ATOM 663 N LEU A 127 4.649 7.166 -6.101 1.00 0.00 N ATOM 664 CA LEU A 127 5.683 6.455 -6.845 1.00 0.00 C ATOM 665 C LEU A 127 5.831 7.025 -8.253 1.00 0.00 C ATOM 666 O LEU A 127 6.935 7.089 -8.794 1.00 0.00 O ATOM 667 CB LEU A 127 5.351 4.963 -6.920 1.00 0.00 C ATOM 668 CG LEU A 127 6.547 4.010 -6.941 1.00 0.00 C ATOM 669 CD1 LEU A 127 6.895 3.559 -5.531 1.00 0.00 C ATOM 670 CD2 LEU A 127 6.256 2.810 -7.830 1.00 0.00 C ATOM 0 H LEU A 127 3.791 6.633 -5.957 1.00 0.00 H new ATOM 0 HA LEU A 127 6.628 6.585 -6.318 1.00 0.00 H new ATOM 0 HB2 LEU A 127 4.723 4.707 -6.066 1.00 0.00 H new ATOM 0 HB3 LEU A 127 4.757 4.788 -7.817 1.00 0.00 H new ATOM 0 HG LEU A 127 7.405 4.542 -7.352 1.00 0.00 H new ATOM 0 HD11 LEU A 127 7.748 2.882 -5.566 1.00 0.00 H new ATOM 0 HD12 LEU A 127 7.146 4.428 -4.923 1.00 0.00 H new ATOM 0 HD13 LEU A 127 6.040 3.044 -5.092 1.00 0.00 H new ATOM 0 HD21 LEU A 127 7.118 2.142 -7.833 1.00 0.00 H new ATOM 0 HD22 LEU A 127 5.385 2.277 -7.448 1.00 0.00 H new ATOM 0 HD23 LEU A 127 6.056 3.150 -8.846 1.00 0.00 H new ATOM 682 N SER A 128 4.713 7.440 -8.838 1.00 0.00 N ATOM 683 CA SER A 128 4.718 8.004 -10.182 1.00 0.00 C ATOM 684 C SER A 128 5.371 9.383 -10.192 1.00 0.00 C ATOM 685 O SER A 128 6.229 9.671 -11.025 1.00 0.00 O ATOM 686 CB SER A 128 3.290 8.101 -10.723 1.00 0.00 C ATOM 687 OG SER A 128 3.166 7.423 -11.962 1.00 0.00 O ATOM 0 H SER A 128 3.792 7.396 -8.402 1.00 0.00 H new ATOM 0 HA SER A 128 5.299 7.341 -10.824 1.00 0.00 H new ATOM 0 HB2 SER A 128 2.594 7.674 -10.000 1.00 0.00 H new ATOM 0 HB3 SER A 128 3.016 9.148 -10.849 1.00 0.00 H new ATOM 0 HG SER A 128 2.244 7.498 -12.285 1.00 0.00 H new ATOM 693 N VAL A 129 4.959 10.232 -9.256 1.00 0.00 N ATOM 694 CA VAL A 129 5.504 11.581 -9.154 1.00 0.00 C ATOM 695 C VAL A 129 6.998 11.548 -8.852 1.00 0.00 C ATOM 696 O VAL A 129 7.755 12.397 -9.323 1.00 0.00 O ATOM 697 CB VAL A 129 4.788 12.393 -8.058 1.00 0.00 C ATOM 698 CG1 VAL A 129 4.931 11.710 -6.706 1.00 0.00 C ATOM 699 CG2 VAL A 129 5.333 13.813 -8.007 1.00 0.00 C ATOM 0 H VAL A 129 4.250 10.010 -8.557 1.00 0.00 H new ATOM 0 HA VAL A 129 5.342 12.063 -10.118 1.00 0.00 H new ATOM 0 HB VAL A 129 3.727 12.443 -8.302 1.00 0.00 H new ATOM 0 HG11 VAL A 129 4.419 12.299 -5.945 1.00 0.00 H new ATOM 0 HG12 VAL A 129 4.490 10.714 -6.753 1.00 0.00 H new ATOM 0 HG13 VAL A 129 5.987 11.627 -6.450 1.00 0.00 H new ATOM 0 HG21 VAL A 129 4.817 14.373 -7.228 1.00 0.00 H new ATOM 0 HG22 VAL A 129 6.400 13.785 -7.787 1.00 0.00 H new ATOM 0 HG23 VAL A 129 5.173 14.299 -8.970 1.00 0.00 H new ATOM 709 N ALA A 130 7.416 10.562 -8.065 1.00 0.00 N ATOM 710 CA ALA A 130 8.821 10.417 -7.703 1.00 0.00 C ATOM 711 C ALA A 130 9.697 10.287 -8.945 1.00 0.00 C ATOM 712 O ALA A 130 10.646 11.048 -9.127 1.00 0.00 O ATOM 713 CB ALA A 130 9.009 9.213 -6.793 1.00 0.00 C ATOM 0 H ALA A 130 6.802 9.852 -7.666 1.00 0.00 H new ATOM 0 HA ALA A 130 9.128 11.315 -7.167 1.00 0.00 H new ATOM 0 HB1 ALA A 130 10.062 9.116 -6.530 1.00 0.00 H new ATOM 0 HB2 ALA A 130 8.420 9.347 -5.886 1.00 0.00 H new ATOM 0 HB3 ALA A 130 8.680 8.311 -7.310 1.00 0.00 H new ATOM 719 N GLU A 131 9.371 9.318 -9.795 1.00 0.00 N ATOM 720 CA GLU A 131 10.131 9.088 -11.018 1.00 0.00 C ATOM 721 C GLU A 131 10.282 10.381 -11.815 1.00 0.00 C ATOM 722 O GLU A 131 11.394 10.863 -12.031 1.00 0.00 O ATOM 723 CB GLU A 131 9.446 8.023 -11.877 1.00 0.00 C ATOM 724 CG GLU A 131 9.454 6.639 -11.251 1.00 0.00 C ATOM 725 CD GLU A 131 9.149 5.543 -12.255 1.00 0.00 C ATOM 726 OE1 GLU A 131 8.449 5.827 -13.249 1.00 0.00 O ATOM 727 OE2 GLU A 131 9.611 4.402 -12.045 1.00 0.00 O ATOM 0 H GLU A 131 8.587 8.680 -9.659 1.00 0.00 H new ATOM 0 HA GLU A 131 11.124 8.736 -10.739 1.00 0.00 H new ATOM 0 HB2 GLU A 131 8.414 8.324 -12.060 1.00 0.00 H new ATOM 0 HB3 GLU A 131 9.941 7.977 -12.847 1.00 0.00 H new ATOM 0 HG2 GLU A 131 10.429 6.453 -10.801 1.00 0.00 H new ATOM 0 HG3 GLU A 131 8.720 6.604 -10.446 1.00 0.00 H new ATOM 734 N MET A 132 9.156 10.936 -12.251 1.00 0.00 N ATOM 735 CA MET A 132 9.162 12.172 -13.023 1.00 0.00 C ATOM 736 C MET A 132 9.015 13.385 -12.110 1.00 0.00 C ATOM 737 O MET A 132 8.279 14.322 -12.419 1.00 0.00 O ATOM 738 CB MET A 132 8.035 12.159 -14.057 1.00 0.00 C ATOM 739 CG MET A 132 8.344 11.311 -15.281 1.00 0.00 C ATOM 740 SD MET A 132 8.577 12.301 -16.771 1.00 0.00 S ATOM 741 CE MET A 132 10.329 12.065 -17.061 1.00 0.00 C ATOM 0 H MET A 132 8.228 10.549 -12.082 1.00 0.00 H new ATOM 0 HA MET A 132 10.119 12.242 -13.540 1.00 0.00 H new ATOM 0 HB2 MET A 132 7.125 11.786 -13.587 1.00 0.00 H new ATOM 0 HB3 MET A 132 7.833 13.182 -14.375 1.00 0.00 H new ATOM 0 HG2 MET A 132 9.244 10.725 -15.094 1.00 0.00 H new ATOM 0 HG3 MET A 132 7.531 10.604 -15.443 1.00 0.00 H new ATOM 0 HE1 MET A 132 10.628 12.617 -17.952 1.00 0.00 H new ATOM 0 HE2 MET A 132 10.892 12.430 -16.202 1.00 0.00 H new ATOM 0 HE3 MET A 132 10.534 11.004 -17.205 1.00 0.00 H new ATOM 751 N LYS A 133 9.720 13.361 -10.983 1.00 0.00 N ATOM 752 CA LYS A 133 9.670 14.459 -10.025 1.00 0.00 C ATOM 753 C LYS A 133 10.331 15.710 -10.594 1.00 0.00 C ATOM 754 O LYS A 133 11.505 15.975 -10.335 1.00 0.00 O ATOM 755 CB LYS A 133 10.358 14.054 -8.719 1.00 0.00 C ATOM 756 CG LYS A 133 10.298 15.125 -7.643 1.00 0.00 C ATOM 757 CD LYS A 133 10.286 14.517 -6.251 1.00 0.00 C ATOM 758 CE LYS A 133 10.734 15.521 -5.200 1.00 0.00 C ATOM 759 NZ LYS A 133 10.431 15.052 -3.820 1.00 0.00 N ATOM 0 H LYS A 133 10.333 12.592 -10.711 1.00 0.00 H new ATOM 0 HA LYS A 133 8.623 14.684 -9.823 1.00 0.00 H new ATOM 0 HB2 LYS A 133 9.893 13.144 -8.340 1.00 0.00 H new ATOM 0 HB3 LYS A 133 11.402 13.817 -8.926 1.00 0.00 H new ATOM 0 HG2 LYS A 133 11.155 15.791 -7.743 1.00 0.00 H new ATOM 0 HG3 LYS A 133 9.404 15.733 -7.783 1.00 0.00 H new ATOM 0 HD2 LYS A 133 9.282 14.166 -6.015 1.00 0.00 H new ATOM 0 HD3 LYS A 133 10.942 13.647 -6.227 1.00 0.00 H new ATOM 0 HE2 LYS A 133 11.806 15.695 -5.297 1.00 0.00 H new ATOM 0 HE3 LYS A 133 10.239 16.476 -5.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 10.752 15.764 -3.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 9.406 14.910 -3.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 10.924 14.153 -3.643 1.00 0.00 H new TER 773 LYS A 133