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 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) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-0.75) 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 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=0.26) 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 10.490 10.491 0.332 1.00 0.00 N ATOM 2 CA ILE A 88 11.253 10.489 -0.909 1.00 0.00 C ATOM 3 C ILE A 88 12.294 9.375 -0.913 1.00 0.00 C ATOM 4 O ILE A 88 13.377 9.524 -1.480 1.00 0.00 O ATOM 5 CB ILE A 88 11.962 11.838 -1.137 1.00 0.00 C ATOM 6 CG1 ILE A 88 12.963 12.109 -0.012 1.00 0.00 C ATOM 7 CG2 ILE A 88 10.942 12.963 -1.228 1.00 0.00 C ATOM 8 CD1 ILE A 88 14.381 12.303 -0.499 1.00 0.00 C ATOM 0 HA ILE A 88 10.540 10.321 -1.716 1.00 0.00 H new ATOM 0 HB ILE A 88 12.507 11.791 -2.080 1.00 0.00 H new ATOM 0 HG12 ILE A 88 12.650 12.998 0.535 1.00 0.00 H new ATOM 0 HG13 ILE A 88 12.940 11.277 0.692 1.00 0.00 H new ATOM 0 HG21 ILE A 88 11.458 13.910 -1.389 1.00 0.00 H new ATOM 0 HG22 ILE A 88 10.264 12.773 -2.060 1.00 0.00 H new ATOM 0 HG23 ILE A 88 10.372 13.014 -0.300 1.00 0.00 H new ATOM 0 HD11 ILE A 88 15.036 12.491 0.352 1.00 0.00 H new ATOM 0 HD12 ILE A 88 14.713 11.405 -1.021 1.00 0.00 H new ATOM 0 HD13 ILE A 88 14.419 13.153 -1.180 1.00 0.00 H new ATOM 20 N ASP A 89 11.958 8.257 -0.279 1.00 0.00 N ATOM 21 CA ASP A 89 12.861 7.114 -0.211 1.00 0.00 C ATOM 22 C ASP A 89 12.214 5.873 -0.817 1.00 0.00 C ATOM 23 O ASP A 89 11.076 5.534 -0.494 1.00 0.00 O ATOM 24 CB ASP A 89 13.263 6.840 1.238 1.00 0.00 C ATOM 25 CG ASP A 89 14.442 7.683 1.682 1.00 0.00 C ATOM 26 OD1 ASP A 89 15.290 8.014 0.826 1.00 0.00 O ATOM 27 OD2 ASP A 89 14.518 8.011 2.884 1.00 0.00 O ATOM 0 H ASP A 89 11.066 8.118 0.196 1.00 0.00 H new ATOM 0 HA ASP A 89 13.754 7.353 -0.788 1.00 0.00 H new ATOM 0 HB2 ASP A 89 12.413 7.037 1.891 1.00 0.00 H new ATOM 0 HB3 ASP A 89 13.512 5.785 1.349 1.00 0.00 H new ATOM 32 N VAL A 90 12.947 5.199 -1.697 1.00 0.00 N ATOM 33 CA VAL A 90 12.445 3.995 -2.348 1.00 0.00 C ATOM 34 C VAL A 90 12.069 2.931 -1.322 1.00 0.00 C ATOM 35 O VAL A 90 11.135 2.156 -1.529 1.00 0.00 O ATOM 36 CB VAL A 90 13.484 3.408 -3.322 1.00 0.00 C ATOM 37 CG1 VAL A 90 12.948 2.145 -3.978 1.00 0.00 C ATOM 38 CG2 VAL A 90 13.872 4.440 -4.371 1.00 0.00 C ATOM 0 H VAL A 90 13.891 5.466 -1.976 1.00 0.00 H new ATOM 0 HA VAL A 90 11.556 4.286 -2.908 1.00 0.00 H new ATOM 0 HB VAL A 90 14.378 3.143 -2.757 1.00 0.00 H new ATOM 0 HG11 VAL A 90 13.696 1.745 -4.663 1.00 0.00 H new ATOM 0 HG12 VAL A 90 12.724 1.403 -3.211 1.00 0.00 H new ATOM 0 HG13 VAL A 90 12.039 2.380 -4.531 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.607 4.009 -5.051 1.00 0.00 H new ATOM 0 HG22 VAL A 90 12.987 4.737 -4.934 1.00 0.00 H new ATOM 0 HG23 VAL A 90 14.300 5.314 -3.880 1.00 0.00 H new ATOM 48 N LEU A 91 12.803 2.901 -0.215 1.00 0.00 N ATOM 49 CA LEU A 91 12.547 1.932 0.845 1.00 0.00 C ATOM 50 C LEU A 91 11.261 2.271 1.593 1.00 0.00 C ATOM 51 O LEU A 91 10.454 1.390 1.891 1.00 0.00 O ATOM 52 CB LEU A 91 13.723 1.893 1.821 1.00 0.00 C ATOM 53 CG LEU A 91 14.645 0.677 1.714 1.00 0.00 C ATOM 54 CD1 LEU A 91 15.831 0.985 0.813 1.00 0.00 C ATOM 55 CD2 LEU A 91 15.118 0.244 3.093 1.00 0.00 C ATOM 0 H LEU A 91 13.579 3.536 -0.028 1.00 0.00 H new ATOM 0 HA LEU A 91 12.431 0.950 0.386 1.00 0.00 H new ATOM 0 HB2 LEU A 91 14.322 2.792 1.673 1.00 0.00 H new ATOM 0 HB3 LEU A 91 13.328 1.936 2.836 1.00 0.00 H new ATOM 0 HG LEU A 91 14.082 -0.145 1.271 1.00 0.00 H new ATOM 0 HD11 LEU A 91 16.476 0.109 0.748 1.00 0.00 H new ATOM 0 HD12 LEU A 91 15.473 1.246 -0.183 1.00 0.00 H new ATOM 0 HD13 LEU A 91 16.395 1.821 1.227 1.00 0.00 H new ATOM 0 HD21 LEU A 91 15.773 -0.622 2.998 1.00 0.00 H new ATOM 0 HD22 LEU A 91 15.664 1.062 3.564 1.00 0.00 H new ATOM 0 HD23 LEU A 91 14.257 -0.018 3.707 1.00 0.00 H new ATOM 67 N ARG A 92 11.076 3.553 1.891 1.00 0.00 N ATOM 68 CA ARG A 92 9.889 4.008 2.603 1.00 0.00 C ATOM 69 C ARG A 92 8.621 3.631 1.843 1.00 0.00 C ATOM 70 O ARG A 92 7.664 3.122 2.425 1.00 0.00 O ATOM 71 CB ARG A 92 9.941 5.523 2.810 1.00 0.00 C ATOM 72 CG ARG A 92 9.669 5.952 4.242 1.00 0.00 C ATOM 73 CD ARG A 92 10.202 7.350 4.515 1.00 0.00 C ATOM 74 NE ARG A 92 9.180 8.374 4.316 1.00 0.00 N ATOM 75 CZ ARG A 92 9.441 9.676 4.286 1.00 0.00 C ATOM 76 NH1 ARG A 92 10.683 10.111 4.443 1.00 0.00 N ATOM 77 NH2 ARG A 92 8.457 10.547 4.100 1.00 0.00 N ATOM 0 H ARG A 92 11.733 4.295 1.650 1.00 0.00 H new ATOM 0 HA ARG A 92 9.869 3.516 3.575 1.00 0.00 H new ATOM 0 HB2 ARG A 92 10.923 5.888 2.511 1.00 0.00 H new ATOM 0 HB3 ARG A 92 9.211 5.996 2.153 1.00 0.00 H new ATOM 0 HG2 ARG A 92 8.596 5.927 4.433 1.00 0.00 H new ATOM 0 HG3 ARG A 92 10.132 5.244 4.929 1.00 0.00 H new ATOM 0 HD2 ARG A 92 10.574 7.403 5.538 1.00 0.00 H new ATOM 0 HD3 ARG A 92 11.048 7.550 3.858 1.00 0.00 H new ATOM 0 HE ARG A 92 8.213 8.073 4.193 1.00 0.00 H new ATOM 0 HH11 ARG A 92 11.442 9.445 4.587 1.00 0.00 H new ATOM 0 HH12 ARG A 92 10.880 11.112 4.419 1.00 0.00 H new ATOM 0 HH21 ARG A 92 7.499 10.217 3.980 1.00 0.00 H new ATOM 0 HH22 ARG A 92 8.658 11.547 4.077 1.00 0.00 H new ATOM 91 N ALA A 93 8.622 3.885 0.538 1.00 0.00 N ATOM 92 CA ALA A 93 7.473 3.571 -0.301 1.00 0.00 C ATOM 93 C ALA A 93 7.285 2.063 -0.433 1.00 0.00 C ATOM 94 O ALA A 93 6.185 1.545 -0.240 1.00 0.00 O ATOM 95 CB ALA A 93 7.634 4.206 -1.674 1.00 0.00 C ATOM 0 H ALA A 93 9.406 4.307 0.040 1.00 0.00 H new ATOM 0 HA ALA A 93 6.583 3.981 0.176 1.00 0.00 H new ATOM 0 HB1 ALA A 93 6.769 3.963 -2.291 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.712 5.288 -1.568 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.537 3.822 -2.149 1.00 0.00 H new ATOM 101 N LYS A 94 8.365 1.363 -0.763 1.00 0.00 N ATOM 102 CA LYS A 94 8.320 -0.086 -0.919 1.00 0.00 C ATOM 103 C LYS A 94 7.750 -0.751 0.329 1.00 0.00 C ATOM 104 O LYS A 94 7.110 -1.799 0.249 1.00 0.00 O ATOM 105 CB LYS A 94 9.720 -0.632 -1.207 1.00 0.00 C ATOM 106 CG LYS A 94 9.747 -2.127 -1.475 1.00 0.00 C ATOM 107 CD LYS A 94 9.200 -2.456 -2.854 1.00 0.00 C ATOM 108 CE LYS A 94 10.246 -2.232 -3.936 1.00 0.00 C ATOM 109 NZ LYS A 94 10.400 -3.426 -4.814 1.00 0.00 N ATOM 0 H LYS A 94 9.283 1.776 -0.928 1.00 0.00 H new ATOM 0 HA LYS A 94 7.667 -0.315 -1.761 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.134 -0.109 -2.069 1.00 0.00 H new ATOM 0 HB3 LYS A 94 10.368 -0.412 -0.359 1.00 0.00 H new ATOM 0 HG2 LYS A 94 10.770 -2.494 -1.391 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.159 -2.644 -0.717 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.868 -3.494 -2.877 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.326 -1.837 -3.057 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.964 -1.370 -4.541 1.00 0.00 H new ATOM 0 HE3 LYS A 94 11.204 -1.996 -3.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 11.121 -3.234 -5.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.694 -4.243 -4.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.493 -3.636 -5.277 1.00 0.00 H new ATOM 123 N ALA A 95 7.986 -0.134 1.482 1.00 0.00 N ATOM 124 CA ALA A 95 7.493 -0.665 2.747 1.00 0.00 C ATOM 125 C ALA A 95 5.974 -0.553 2.834 1.00 0.00 C ATOM 126 O ALA A 95 5.294 -1.502 3.224 1.00 0.00 O ATOM 127 CB ALA A 95 8.145 0.061 3.914 1.00 0.00 C ATOM 0 H ALA A 95 8.515 0.734 1.566 1.00 0.00 H new ATOM 0 HA ALA A 95 7.757 -1.721 2.797 1.00 0.00 H new ATOM 0 HB1 ALA A 95 7.768 -0.346 4.852 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.226 -0.074 3.869 1.00 0.00 H new ATOM 0 HB3 ALA A 95 7.910 1.124 3.859 1.00 0.00 H new ATOM 133 N ALA A 96 5.449 0.612 2.470 1.00 0.00 N ATOM 134 CA ALA A 96 4.011 0.846 2.506 1.00 0.00 C ATOM 135 C ALA A 96 3.267 -0.174 1.651 1.00 0.00 C ATOM 136 O ALA A 96 2.172 -0.614 2.003 1.00 0.00 O ATOM 137 CB ALA A 96 3.695 2.260 2.040 1.00 0.00 C ATOM 0 H ALA A 96 5.998 1.409 2.147 1.00 0.00 H new ATOM 0 HA ALA A 96 3.675 0.731 3.536 1.00 0.00 H new ATOM 0 HB1 ALA A 96 2.617 2.421 2.072 1.00 0.00 H new ATOM 0 HB2 ALA A 96 4.189 2.978 2.695 1.00 0.00 H new ATOM 0 HB3 ALA A 96 4.052 2.395 1.019 1.00 0.00 H new ATOM 143 N LYS A 97 3.867 -0.545 0.526 1.00 0.00 N ATOM 144 CA LYS A 97 3.262 -1.514 -0.380 1.00 0.00 C ATOM 145 C LYS A 97 3.256 -2.908 0.240 1.00 0.00 C ATOM 146 O LYS A 97 2.264 -3.631 0.152 1.00 0.00 O ATOM 147 CB LYS A 97 4.017 -1.539 -1.711 1.00 0.00 C ATOM 148 CG LYS A 97 3.590 -0.443 -2.672 1.00 0.00 C ATOM 149 CD LYS A 97 3.246 -1.005 -4.041 1.00 0.00 C ATOM 150 CE LYS A 97 4.482 -1.133 -4.918 1.00 0.00 C ATOM 151 NZ LYS A 97 4.632 -2.508 -5.470 1.00 0.00 N ATOM 0 H LYS A 97 4.772 -0.189 0.219 1.00 0.00 H new ATOM 0 HA LYS A 97 2.231 -1.211 -0.560 1.00 0.00 H new ATOM 0 HB2 LYS A 97 5.085 -1.444 -1.515 1.00 0.00 H new ATOM 0 HB3 LYS A 97 3.866 -2.508 -2.187 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.726 0.082 -2.266 1.00 0.00 H new ATOM 0 HG3 LYS A 97 4.391 0.290 -2.769 1.00 0.00 H new ATOM 0 HD2 LYS A 97 2.777 -1.982 -3.927 1.00 0.00 H new ATOM 0 HD3 LYS A 97 2.518 -0.357 -4.529 1.00 0.00 H new ATOM 0 HE2 LYS A 97 4.421 -0.417 -5.738 1.00 0.00 H new ATOM 0 HE3 LYS A 97 5.368 -0.877 -4.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 5.486 -2.553 -6.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 4.716 -3.189 -4.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 3.799 -2.744 -6.046 1.00 0.00 H new ATOM 165 N GLU A 98 4.369 -3.278 0.865 1.00 0.00 N ATOM 166 CA GLU A 98 4.489 -4.585 1.499 1.00 0.00 C ATOM 167 C GLU A 98 3.390 -4.790 2.538 1.00 0.00 C ATOM 168 O GLU A 98 2.809 -5.871 2.637 1.00 0.00 O ATOM 169 CB GLU A 98 5.863 -4.732 2.158 1.00 0.00 C ATOM 170 CG GLU A 98 6.656 -5.925 1.652 1.00 0.00 C ATOM 171 CD GLU A 98 6.404 -7.181 2.464 1.00 0.00 C ATOM 172 OE1 GLU A 98 6.527 -7.120 3.705 1.00 0.00 O ATOM 173 OE2 GLU A 98 6.083 -8.224 1.857 1.00 0.00 O ATOM 0 H GLU A 98 5.200 -2.692 0.946 1.00 0.00 H new ATOM 0 HA GLU A 98 4.380 -5.346 0.726 1.00 0.00 H new ATOM 0 HB2 GLU A 98 6.439 -3.823 1.984 1.00 0.00 H new ATOM 0 HB3 GLU A 98 5.732 -4.825 3.236 1.00 0.00 H new ATOM 0 HG2 GLU A 98 6.397 -6.113 0.610 1.00 0.00 H new ATOM 0 HG3 GLU A 98 7.719 -5.687 1.679 1.00 0.00 H new ATOM 180 N ARG A 99 3.112 -3.745 3.310 1.00 0.00 N ATOM 181 CA ARG A 99 2.084 -3.810 4.342 1.00 0.00 C ATOM 182 C ARG A 99 0.730 -4.169 3.739 1.00 0.00 C ATOM 183 O ARG A 99 0.078 -5.119 4.173 1.00 0.00 O ATOM 184 CB ARG A 99 1.987 -2.473 5.080 1.00 0.00 C ATOM 185 CG ARG A 99 2.901 -2.379 6.291 1.00 0.00 C ATOM 186 CD ARG A 99 2.201 -2.855 7.555 1.00 0.00 C ATOM 187 NE ARG A 99 2.601 -4.209 7.925 1.00 0.00 N ATOM 188 CZ ARG A 99 2.336 -4.757 9.106 1.00 0.00 C ATOM 189 NH1 ARG A 99 1.673 -4.069 10.026 1.00 0.00 N ATOM 190 NH2 ARG A 99 2.734 -5.995 9.369 1.00 0.00 N ATOM 0 H ARG A 99 3.584 -2.843 3.241 1.00 0.00 H new ATOM 0 HA ARG A 99 2.365 -4.589 5.050 1.00 0.00 H new ATOM 0 HB2 ARG A 99 2.231 -1.667 4.388 1.00 0.00 H new ATOM 0 HB3 ARG A 99 0.957 -2.318 5.400 1.00 0.00 H new ATOM 0 HG2 ARG A 99 3.795 -2.979 6.121 1.00 0.00 H new ATOM 0 HG3 ARG A 99 3.229 -1.348 6.422 1.00 0.00 H new ATOM 0 HD2 ARG A 99 2.429 -2.173 8.374 1.00 0.00 H new ATOM 0 HD3 ARG A 99 1.122 -2.824 7.405 1.00 0.00 H new ATOM 0 HE ARG A 99 3.112 -4.765 7.239 1.00 0.00 H new ATOM 0 HH11 ARG A 99 1.365 -3.117 9.828 1.00 0.00 H new ATOM 0 HH12 ARG A 99 1.471 -4.492 10.932 1.00 0.00 H new ATOM 0 HH21 ARG A 99 3.244 -6.527 8.664 1.00 0.00 H new ATOM 0 HH22 ARG A 99 2.530 -6.414 10.276 1.00 0.00 H new ATOM 204 N ALA A 100 0.312 -3.404 2.736 1.00 0.00 N ATOM 205 CA ALA A 100 -0.964 -3.642 2.073 1.00 0.00 C ATOM 206 C ALA A 100 -1.046 -5.067 1.537 1.00 0.00 C ATOM 207 O ALA A 100 -2.073 -5.731 1.668 1.00 0.00 O ATOM 208 CB ALA A 100 -1.168 -2.640 0.946 1.00 0.00 C ATOM 0 H ALA A 100 0.839 -2.614 2.365 1.00 0.00 H new ATOM 0 HA ALA A 100 -1.758 -3.512 2.809 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -2.125 -2.829 0.460 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -1.162 -1.629 1.353 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -0.364 -2.743 0.217 1.00 0.00 H new ATOM 214 N GLU A 101 0.044 -5.531 0.932 1.00 0.00 N ATOM 215 CA GLU A 101 0.093 -6.878 0.375 1.00 0.00 C ATOM 216 C GLU A 101 -0.198 -7.922 1.449 1.00 0.00 C ATOM 217 O GLU A 101 -0.812 -8.953 1.177 1.00 0.00 O ATOM 218 CB GLU A 101 1.462 -7.144 -0.252 1.00 0.00 C ATOM 219 CG GLU A 101 1.394 -7.538 -1.718 1.00 0.00 C ATOM 220 CD GLU A 101 2.178 -8.800 -2.020 1.00 0.00 C ATOM 221 OE1 GLU A 101 1.916 -9.831 -1.366 1.00 0.00 O ATOM 222 OE2 GLU A 101 3.053 -8.757 -2.910 1.00 0.00 O ATOM 0 H GLU A 101 0.904 -4.994 0.815 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.673 -6.953 -0.397 1.00 0.00 H new ATOM 0 HB2 GLU A 101 2.077 -6.250 -0.153 1.00 0.00 H new ATOM 0 HB3 GLU A 101 1.960 -7.937 0.306 1.00 0.00 H new ATOM 0 HG2 GLU A 101 0.352 -7.685 -2.003 1.00 0.00 H new ATOM 0 HG3 GLU A 101 1.779 -6.721 -2.328 1.00 0.00 H new ATOM 229 N ARG A 102 0.248 -7.646 2.671 1.00 0.00 N ATOM 230 CA ARG A 102 0.038 -8.561 3.786 1.00 0.00 C ATOM 231 C ARG A 102 -1.402 -8.488 4.285 1.00 0.00 C ATOM 232 O ARG A 102 -2.007 -9.508 4.615 1.00 0.00 O ATOM 233 CB ARG A 102 1.002 -8.236 4.929 1.00 0.00 C ATOM 234 CG ARG A 102 1.942 -9.379 5.275 1.00 0.00 C ATOM 235 CD ARG A 102 2.389 -9.312 6.727 1.00 0.00 C ATOM 236 NE ARG A 102 3.643 -8.580 6.881 1.00 0.00 N ATOM 237 CZ ARG A 102 4.836 -9.106 6.630 1.00 0.00 C ATOM 238 NH1 ARG A 102 4.937 -10.361 6.214 1.00 0.00 N ATOM 239 NH2 ARG A 102 5.932 -8.376 6.793 1.00 0.00 N ATOM 0 H ARG A 102 0.757 -6.796 2.913 1.00 0.00 H new ATOM 0 HA ARG A 102 0.232 -9.574 3.433 1.00 0.00 H new ATOM 0 HB2 ARG A 102 1.592 -7.361 4.658 1.00 0.00 H new ATOM 0 HB3 ARG A 102 0.425 -7.970 5.815 1.00 0.00 H new ATOM 0 HG2 ARG A 102 1.443 -10.330 5.090 1.00 0.00 H new ATOM 0 HG3 ARG A 102 2.814 -9.344 4.623 1.00 0.00 H new ATOM 0 HD2 ARG A 102 1.613 -8.831 7.323 1.00 0.00 H new ATOM 0 HD3 ARG A 102 2.509 -10.323 7.116 1.00 0.00 H new ATOM 0 HE ARG A 102 3.600 -7.612 7.199 1.00 0.00 H new ATOM 0 HH11 ARG A 102 4.097 -10.925 6.086 1.00 0.00 H new ATOM 0 HH12 ARG A 102 5.855 -10.762 6.022 1.00 0.00 H new ATOM 0 HH21 ARG A 102 5.859 -7.410 7.111 1.00 0.00 H new ATOM 0 HH22 ARG A 102 6.848 -8.781 6.600 1.00 0.00 H new ATOM 253 N ARG A 103 -1.945 -7.276 4.337 1.00 0.00 N ATOM 254 CA ARG A 103 -3.313 -7.070 4.797 1.00 0.00 C ATOM 255 C ARG A 103 -4.311 -7.715 3.840 1.00 0.00 C ATOM 256 O ARG A 103 -5.341 -8.243 4.262 1.00 0.00 O ATOM 257 CB ARG A 103 -3.609 -5.575 4.929 1.00 0.00 C ATOM 258 CG ARG A 103 -3.869 -5.130 6.359 1.00 0.00 C ATOM 259 CD ARG A 103 -3.462 -3.681 6.574 1.00 0.00 C ATOM 260 NE ARG A 103 -3.402 -3.334 7.991 1.00 0.00 N ATOM 261 CZ ARG A 103 -2.370 -3.622 8.776 1.00 0.00 C ATOM 262 NH1 ARG A 103 -1.316 -4.259 8.284 1.00 0.00 N ATOM 263 NH2 ARG A 103 -2.390 -3.273 10.056 1.00 0.00 N ATOM 0 H ARG A 103 -1.458 -6.422 4.066 1.00 0.00 H new ATOM 0 HA ARG A 103 -3.417 -7.542 5.774 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -2.767 -5.010 4.529 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -4.477 -5.330 4.317 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -4.927 -5.250 6.592 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -3.316 -5.770 7.047 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -2.488 -3.506 6.116 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -4.173 -3.026 6.070 1.00 0.00 H new ATOM 0 HE ARG A 103 -4.197 -2.843 8.401 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -1.297 -4.529 7.301 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -0.525 -4.479 8.889 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -3.199 -2.783 10.438 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -1.597 -3.495 10.658 1.00 0.00 H new ATOM 277 N LEU A 104 -4.000 -7.668 2.549 1.00 0.00 N ATOM 278 CA LEU A 104 -4.870 -8.247 1.531 1.00 0.00 C ATOM 279 C LEU A 104 -4.876 -9.769 1.621 1.00 0.00 C ATOM 280 O LEU A 104 -5.883 -10.414 1.330 1.00 0.00 O ATOM 281 CB LEU A 104 -4.418 -7.809 0.138 1.00 0.00 C ATOM 282 CG LEU A 104 -5.356 -6.857 -0.604 1.00 0.00 C ATOM 283 CD1 LEU A 104 -4.566 -5.744 -1.276 1.00 0.00 C ATOM 284 CD2 LEU A 104 -6.186 -7.617 -1.629 1.00 0.00 C ATOM 0 H LEU A 104 -3.152 -7.235 2.183 1.00 0.00 H new ATOM 0 HA LEU A 104 -5.884 -7.888 1.707 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.443 -7.329 0.228 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.279 -8.700 -0.474 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.033 -6.407 0.122 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.251 -5.076 -1.799 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -4.016 -5.181 -0.521 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.864 -6.176 -1.990 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.848 -6.923 -2.148 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.524 -8.095 -2.351 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.781 -8.377 -1.123 1.00 0.00 H new ATOM 296 N GLN A 105 -3.745 -10.337 2.029 1.00 0.00 N ATOM 297 CA GLN A 105 -3.621 -11.784 2.159 1.00 0.00 C ATOM 298 C GLN A 105 -4.629 -12.328 3.166 1.00 0.00 C ATOM 299 O GLN A 105 -5.232 -13.379 2.950 1.00 0.00 O ATOM 300 CB GLN A 105 -2.201 -12.159 2.587 1.00 0.00 C ATOM 301 CG GLN A 105 -2.043 -13.627 2.949 1.00 0.00 C ATOM 302 CD GLN A 105 -0.699 -14.190 2.530 1.00 0.00 C ATOM 303 OE1 GLN A 105 0.297 -14.044 3.240 1.00 0.00 O ATOM 304 NE2 GLN A 105 -0.663 -14.838 1.372 1.00 0.00 N ATOM 0 H GLN A 105 -2.902 -9.817 2.275 1.00 0.00 H new ATOM 0 HA GLN A 105 -3.829 -12.230 1.187 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -1.511 -11.916 1.779 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -1.916 -11.549 3.444 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -2.163 -13.747 4.026 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -2.838 -14.202 2.474 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -1.512 -14.936 0.816 1.00 0.00 H new ATOM 0 HE22 GLN A 105 0.214 -15.238 1.039 1.00 0.00 H new ATOM 313 N SER A 106 -4.806 -11.606 4.268 1.00 0.00 N ATOM 314 CA SER A 106 -5.738 -12.018 5.311 1.00 0.00 C ATOM 315 C SER A 106 -7.125 -12.273 4.730 1.00 0.00 C ATOM 316 O SER A 106 -7.472 -11.747 3.673 1.00 0.00 O ATOM 317 CB SER A 106 -5.817 -10.951 6.404 1.00 0.00 C ATOM 318 OG SER A 106 -4.536 -10.678 6.945 1.00 0.00 O ATOM 0 H SER A 106 -4.316 -10.733 4.462 1.00 0.00 H new ATOM 0 HA SER A 106 -5.370 -12.947 5.747 1.00 0.00 H new ATOM 0 HB2 SER A 106 -6.244 -10.036 5.993 1.00 0.00 H new ATOM 0 HB3 SER A 106 -6.486 -11.287 7.197 1.00 0.00 H new ATOM 0 HG SER A 106 -4.614 -9.992 7.640 1.00 0.00 H new ATOM 324 N GLN A 107 -7.914 -13.082 5.430 1.00 0.00 N ATOM 325 CA GLN A 107 -9.263 -13.407 4.984 1.00 0.00 C ATOM 326 C GLN A 107 -10.290 -12.496 5.650 1.00 0.00 C ATOM 327 O GLN A 107 -11.364 -12.251 5.100 1.00 0.00 O ATOM 328 CB GLN A 107 -9.586 -14.870 5.291 1.00 0.00 C ATOM 329 CG GLN A 107 -9.553 -15.202 6.775 1.00 0.00 C ATOM 330 CD GLN A 107 -10.135 -16.568 7.080 1.00 0.00 C ATOM 331 OE1 GLN A 107 -10.334 -17.386 6.181 1.00 0.00 O ATOM 332 NE2 GLN A 107 -10.413 -16.822 8.353 1.00 0.00 N ATOM 0 H GLN A 107 -7.642 -13.524 6.308 1.00 0.00 H new ATOM 0 HA GLN A 107 -9.310 -13.251 3.906 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -10.574 -15.106 4.896 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.873 -15.508 4.768 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -8.523 -15.163 7.129 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -10.109 -14.443 7.326 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -10.232 -16.115 9.065 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -10.808 -17.724 8.619 1.00 0.00 H new ATOM 341 N GLN A 108 -9.953 -12.000 6.836 1.00 0.00 N ATOM 342 CA GLN A 108 -10.848 -11.117 7.576 1.00 0.00 C ATOM 343 C GLN A 108 -10.599 -9.658 7.209 1.00 0.00 C ATOM 344 O GLN A 108 -10.425 -8.809 8.083 1.00 0.00 O ATOM 345 CB GLN A 108 -10.663 -11.316 9.081 1.00 0.00 C ATOM 346 CG GLN A 108 -11.733 -10.637 9.920 1.00 0.00 C ATOM 347 CD GLN A 108 -12.064 -11.409 11.182 1.00 0.00 C ATOM 348 OE1 GLN A 108 -11.287 -11.422 12.137 1.00 0.00 O ATOM 349 NE2 GLN A 108 -13.221 -12.060 11.192 1.00 0.00 N ATOM 0 H GLN A 108 -9.068 -12.194 7.305 1.00 0.00 H new ATOM 0 HA GLN A 108 -11.873 -11.370 7.306 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -10.664 -12.384 9.301 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -9.686 -10.931 9.373 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -11.397 -9.636 10.189 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -12.637 -10.520 9.323 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -13.835 -12.022 10.378 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -13.496 -12.598 12.014 1.00 0.00 H new ATOM 358 N ASP A 109 -10.583 -9.374 5.911 1.00 0.00 N ATOM 359 CA ASP A 109 -10.357 -8.017 5.429 1.00 0.00 C ATOM 360 C ASP A 109 -11.664 -7.232 5.379 1.00 0.00 C ATOM 361 O ASP A 109 -12.024 -6.671 4.344 1.00 0.00 O ATOM 362 CB ASP A 109 -9.713 -8.047 4.042 1.00 0.00 C ATOM 363 CG ASP A 109 -10.440 -8.971 3.086 1.00 0.00 C ATOM 364 OD1 ASP A 109 -11.687 -8.914 3.038 1.00 0.00 O ATOM 365 OD2 ASP A 109 -9.763 -9.753 2.385 1.00 0.00 O ATOM 0 H ASP A 109 -10.724 -10.065 5.174 1.00 0.00 H new ATOM 0 HA ASP A 109 -9.682 -7.519 6.125 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -9.700 -7.038 3.629 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -8.675 -8.367 4.133 1.00 0.00 H new ATOM 370 N ASP A 110 -12.370 -7.198 6.504 1.00 0.00 N ATOM 371 CA ASP A 110 -13.638 -6.482 6.589 1.00 0.00 C ATOM 372 C ASP A 110 -13.459 -5.013 6.218 1.00 0.00 C ATOM 373 O ASP A 110 -13.987 -4.550 5.207 1.00 0.00 O ATOM 374 CB ASP A 110 -14.219 -6.597 7.999 1.00 0.00 C ATOM 375 CG ASP A 110 -14.958 -7.903 8.216 1.00 0.00 C ATOM 376 OD1 ASP A 110 -15.659 -8.349 7.283 1.00 0.00 O ATOM 377 OD2 ASP A 110 -14.837 -8.478 9.318 1.00 0.00 O ATOM 0 H ASP A 110 -12.086 -7.658 7.369 1.00 0.00 H new ATOM 0 HA ASP A 110 -14.331 -6.935 5.880 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -13.414 -6.513 8.729 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -14.899 -5.764 8.178 1.00 0.00 H new ATOM 382 N ILE A 111 -12.712 -4.287 7.043 1.00 0.00 N ATOM 383 CA ILE A 111 -12.463 -2.871 6.801 1.00 0.00 C ATOM 384 C ILE A 111 -11.054 -2.644 6.265 1.00 0.00 C ATOM 385 O ILE A 111 -10.792 -1.658 5.575 1.00 0.00 O ATOM 386 CB ILE A 111 -12.653 -2.039 8.083 1.00 0.00 C ATOM 387 CG1 ILE A 111 -14.037 -2.295 8.682 1.00 0.00 C ATOM 388 CG2 ILE A 111 -12.464 -0.559 7.786 1.00 0.00 C ATOM 389 CD1 ILE A 111 -14.014 -3.212 9.885 1.00 0.00 C ATOM 0 H ILE A 111 -12.269 -4.656 7.884 1.00 0.00 H new ATOM 0 HA ILE A 111 -13.189 -2.546 6.056 1.00 0.00 H new ATOM 0 HB ILE A 111 -11.901 -2.343 8.811 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -14.481 -1.342 8.970 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -14.681 -2.729 7.917 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -12.601 0.016 8.702 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -11.459 -0.391 7.399 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -13.196 -0.240 7.044 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -15.029 -3.349 10.258 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -13.599 -4.178 9.598 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -13.397 -2.770 10.667 1.00 0.00 H new ATOM 401 N ASP A 112 -10.150 -3.563 6.585 1.00 0.00 N ATOM 402 CA ASP A 112 -8.767 -3.465 6.134 1.00 0.00 C ATOM 403 C ASP A 112 -8.700 -3.295 4.619 1.00 0.00 C ATOM 404 O ASP A 112 -7.805 -2.629 4.098 1.00 0.00 O ATOM 405 CB ASP A 112 -7.981 -4.708 6.554 1.00 0.00 C ATOM 406 CG ASP A 112 -7.373 -4.569 7.936 1.00 0.00 C ATOM 407 OD1 ASP A 112 -6.783 -3.505 8.220 1.00 0.00 O ATOM 408 OD2 ASP A 112 -7.487 -5.523 8.733 1.00 0.00 O ATOM 0 H ASP A 112 -10.350 -4.385 7.155 1.00 0.00 H new ATOM 0 HA ASP A 112 -8.321 -2.587 6.601 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -8.641 -5.575 6.536 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -7.189 -4.896 5.829 1.00 0.00 H new ATOM 413 N PHE A 113 -9.653 -3.901 3.918 1.00 0.00 N ATOM 414 CA PHE A 113 -9.701 -3.818 2.463 1.00 0.00 C ATOM 415 C PHE A 113 -9.675 -2.364 2.000 1.00 0.00 C ATOM 416 O PHE A 113 -8.865 -1.984 1.154 1.00 0.00 O ATOM 417 CB PHE A 113 -10.958 -4.511 1.933 1.00 0.00 C ATOM 418 CG PHE A 113 -10.792 -5.080 0.553 1.00 0.00 C ATOM 419 CD1 PHE A 113 -10.185 -6.312 0.365 1.00 0.00 C ATOM 420 CD2 PHE A 113 -11.242 -4.383 -0.556 1.00 0.00 C ATOM 421 CE1 PHE A 113 -10.031 -6.838 -0.902 1.00 0.00 C ATOM 422 CE2 PHE A 113 -11.091 -4.905 -1.827 1.00 0.00 C ATOM 423 CZ PHE A 113 -10.484 -6.133 -2.000 1.00 0.00 C ATOM 0 H PHE A 113 -10.402 -4.455 4.334 1.00 0.00 H new ATOM 0 HA PHE A 113 -8.821 -4.323 2.066 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -11.237 -5.313 2.617 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -11.781 -3.797 1.926 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -9.828 -6.867 1.220 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -11.716 -3.421 -0.426 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -9.557 -7.799 -1.035 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -11.448 -4.353 -2.684 1.00 0.00 H new ATOM 0 HZ PHE A 113 -10.364 -6.542 -2.992 1.00 0.00 H new ATOM 433 N LYS A 114 -10.568 -1.555 2.560 1.00 0.00 N ATOM 434 CA LYS A 114 -10.649 -0.143 2.207 1.00 0.00 C ATOM 435 C LYS A 114 -9.356 0.582 2.565 1.00 0.00 C ATOM 436 O LYS A 114 -8.901 1.459 1.830 1.00 0.00 O ATOM 437 CB LYS A 114 -11.830 0.516 2.923 1.00 0.00 C ATOM 438 CG LYS A 114 -13.106 0.538 2.098 1.00 0.00 C ATOM 439 CD LYS A 114 -14.221 -0.240 2.775 1.00 0.00 C ATOM 440 CE LYS A 114 -14.283 -1.675 2.274 1.00 0.00 C ATOM 441 NZ LYS A 114 -15.686 -2.159 2.148 1.00 0.00 N ATOM 0 H LYS A 114 -11.246 -1.854 3.261 1.00 0.00 H new ATOM 0 HA LYS A 114 -10.799 -0.072 1.130 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -12.020 -0.014 3.856 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -11.560 1.539 3.186 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -13.423 1.569 1.944 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -12.911 0.114 1.113 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -14.065 -0.237 3.854 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -15.175 0.253 2.589 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -13.787 -1.743 1.306 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -13.736 -2.323 2.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -15.685 -3.140 1.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -16.152 -2.118 3.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -16.202 -1.557 1.475 1.00 0.00 H new ATOM 455 N ARG A 115 -8.767 0.210 3.696 1.00 0.00 N ATOM 456 CA ARG A 115 -7.525 0.825 4.150 1.00 0.00 C ATOM 457 C ARG A 115 -6.397 0.570 3.156 1.00 0.00 C ATOM 458 O ARG A 115 -5.722 1.500 2.715 1.00 0.00 O ATOM 459 CB ARG A 115 -7.138 0.285 5.528 1.00 0.00 C ATOM 460 CG ARG A 115 -7.967 0.861 6.664 1.00 0.00 C ATOM 461 CD ARG A 115 -7.197 1.922 7.434 1.00 0.00 C ATOM 462 NE ARG A 115 -7.141 3.190 6.712 1.00 0.00 N ATOM 463 CZ ARG A 115 -6.510 4.267 7.166 1.00 0.00 C ATOM 464 NH1 ARG A 115 -5.884 4.230 8.334 1.00 0.00 N ATOM 465 NH2 ARG A 115 -6.504 5.385 6.451 1.00 0.00 N ATOM 0 H ARG A 115 -9.130 -0.515 4.316 1.00 0.00 H new ATOM 0 HA ARG A 115 -7.686 1.901 4.221 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -7.244 -0.800 5.526 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -6.086 0.502 5.711 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -8.884 1.294 6.264 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -8.263 0.061 7.342 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -7.667 2.078 8.405 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -6.184 1.568 7.624 1.00 0.00 H new ATOM 0 HE ARG A 115 -7.612 3.252 5.810 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -5.886 3.373 8.887 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -5.400 5.059 8.680 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -6.984 5.418 5.552 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -6.019 6.211 6.801 1.00 0.00 H new ATOM 479 N ALA A 116 -6.197 -0.697 2.808 1.00 0.00 N ATOM 480 CA ALA A 116 -5.151 -1.075 1.865 1.00 0.00 C ATOM 481 C ALA A 116 -5.316 -0.340 0.539 1.00 0.00 C ATOM 482 O ALA A 116 -4.346 -0.129 -0.187 1.00 0.00 O ATOM 483 CB ALA A 116 -5.161 -2.580 1.641 1.00 0.00 C ATOM 0 H ALA A 116 -6.746 -1.479 3.165 1.00 0.00 H new ATOM 0 HA ALA A 116 -4.190 -0.789 2.292 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -4.375 -2.848 0.935 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -4.987 -3.090 2.588 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -6.128 -2.882 1.239 1.00 0.00 H new ATOM 489 N GLU A 117 -6.550 0.047 0.232 1.00 0.00 N ATOM 490 CA GLU A 117 -6.841 0.757 -1.008 1.00 0.00 C ATOM 491 C GLU A 117 -6.273 2.173 -0.969 1.00 0.00 C ATOM 492 O GLU A 117 -5.547 2.588 -1.873 1.00 0.00 O ATOM 493 CB GLU A 117 -8.351 0.808 -1.251 1.00 0.00 C ATOM 494 CG GLU A 117 -8.725 1.109 -2.692 1.00 0.00 C ATOM 495 CD GLU A 117 -8.204 0.064 -3.660 1.00 0.00 C ATOM 496 OE1 GLU A 117 -8.232 -1.134 -3.311 1.00 0.00 O ATOM 497 OE2 GLU A 117 -7.769 0.445 -4.767 1.00 0.00 O ATOM 0 H GLU A 117 -7.364 -0.119 0.824 1.00 0.00 H new ATOM 0 HA GLU A 117 -6.367 0.216 -1.827 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -8.789 -0.147 -0.963 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -8.789 1.568 -0.604 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -9.810 1.169 -2.777 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -8.329 2.086 -2.970 1.00 0.00 H new ATOM 504 N LEU A 118 -6.610 2.911 0.083 1.00 0.00 N ATOM 505 CA LEU A 118 -6.134 4.281 0.241 1.00 0.00 C ATOM 506 C LEU A 118 -4.628 4.311 0.477 1.00 0.00 C ATOM 507 O LEU A 118 -3.918 5.146 -0.081 1.00 0.00 O ATOM 508 CB LEU A 118 -6.859 4.963 1.401 1.00 0.00 C ATOM 509 CG LEU A 118 -6.676 6.477 1.511 1.00 0.00 C ATOM 510 CD1 LEU A 118 -7.255 7.174 0.291 1.00 0.00 C ATOM 511 CD2 LEU A 118 -7.323 7.001 2.785 1.00 0.00 C ATOM 0 H LEU A 118 -7.211 2.584 0.839 1.00 0.00 H new ATOM 0 HA LEU A 118 -6.348 4.822 -0.680 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -7.925 4.752 1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -6.521 4.508 2.332 1.00 0.00 H new ATOM 0 HG LEU A 118 -5.608 6.693 1.554 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -7.116 8.251 0.387 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -6.746 6.821 -0.606 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -8.319 6.951 0.216 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -7.183 8.080 2.847 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -8.389 6.774 2.772 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -6.861 6.525 3.650 1.00 0.00 H new ATOM 523 N ALA A 119 -4.147 3.392 1.309 1.00 0.00 N ATOM 524 CA ALA A 119 -2.724 3.311 1.617 1.00 0.00 C ATOM 525 C ALA A 119 -1.902 3.074 0.355 1.00 0.00 C ATOM 526 O ALA A 119 -0.926 3.779 0.097 1.00 0.00 O ATOM 527 CB ALA A 119 -2.467 2.207 2.632 1.00 0.00 C ATOM 0 H ALA A 119 -4.721 2.694 1.781 1.00 0.00 H new ATOM 0 HA ALA A 119 -2.415 4.264 2.046 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -1.401 2.157 2.853 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -3.018 2.419 3.548 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -2.798 1.252 2.223 1.00 0.00 H new ATOM 533 N LEU A 120 -2.302 2.078 -0.427 1.00 0.00 N ATOM 534 CA LEU A 120 -1.601 1.747 -1.663 1.00 0.00 C ATOM 535 C LEU A 120 -1.650 2.913 -2.645 1.00 0.00 C ATOM 536 O LEU A 120 -0.683 3.177 -3.361 1.00 0.00 O ATOM 537 CB LEU A 120 -2.215 0.500 -2.302 1.00 0.00 C ATOM 538 CG LEU A 120 -1.661 0.107 -3.672 1.00 0.00 C ATOM 539 CD1 LEU A 120 -0.149 -0.045 -3.614 1.00 0.00 C ATOM 540 CD2 LEU A 120 -2.310 -1.180 -4.160 1.00 0.00 C ATOM 0 H LEU A 120 -3.108 1.485 -0.228 1.00 0.00 H new ATOM 0 HA LEU A 120 -0.558 1.546 -1.418 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -2.075 -0.339 -1.621 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -3.289 0.657 -2.398 1.00 0.00 H new ATOM 0 HG LEU A 120 -1.898 0.901 -4.380 1.00 0.00 H new ATOM 0 HD11 LEU A 120 0.227 -0.325 -4.598 1.00 0.00 H new ATOM 0 HD12 LEU A 120 0.300 0.900 -3.310 1.00 0.00 H new ATOM 0 HD13 LEU A 120 0.111 -0.820 -2.893 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -1.904 -1.445 -5.136 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -2.104 -1.983 -3.452 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -3.387 -1.036 -4.242 1.00 0.00 H new ATOM 552 N LYS A 121 -2.781 3.609 -2.674 1.00 0.00 N ATOM 553 CA LYS A 121 -2.957 4.749 -3.565 1.00 0.00 C ATOM 554 C LYS A 121 -2.012 5.886 -3.187 1.00 0.00 C ATOM 555 O LYS A 121 -1.521 6.611 -4.052 1.00 0.00 O ATOM 556 CB LYS A 121 -4.405 5.240 -3.520 1.00 0.00 C ATOM 557 CG LYS A 121 -4.872 5.877 -4.817 1.00 0.00 C ATOM 558 CD LYS A 121 -6.352 5.629 -5.059 1.00 0.00 C ATOM 559 CE LYS A 121 -7.201 6.787 -4.557 1.00 0.00 C ATOM 560 NZ LYS A 121 -8.445 6.314 -3.889 1.00 0.00 N ATOM 0 H LYS A 121 -3.591 3.403 -2.089 1.00 0.00 H new ATOM 0 HA LYS A 121 -2.721 4.425 -4.579 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -5.057 4.400 -3.282 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -4.509 5.964 -2.711 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -4.682 6.950 -4.785 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -4.294 5.476 -5.649 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -6.528 5.483 -6.125 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -6.655 4.710 -4.557 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -6.619 7.387 -3.858 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -7.462 7.435 -5.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -8.996 7.133 -3.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -9.013 5.762 -4.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -8.196 5.716 -3.075 1.00 0.00 H new ATOM 574 N ARG A 122 -1.760 6.033 -1.890 1.00 0.00 N ATOM 575 CA ARG A 122 -0.873 7.081 -1.399 1.00 0.00 C ATOM 576 C ARG A 122 0.557 6.852 -1.878 1.00 0.00 C ATOM 577 O ARG A 122 1.193 7.756 -2.420 1.00 0.00 O ATOM 578 CB ARG A 122 -0.908 7.132 0.130 1.00 0.00 C ATOM 579 CG ARG A 122 -1.141 8.527 0.686 1.00 0.00 C ATOM 580 CD ARG A 122 0.165 9.190 1.093 1.00 0.00 C ATOM 581 NE ARG A 122 -0.045 10.536 1.620 1.00 0.00 N ATOM 582 CZ ARG A 122 -0.360 11.581 0.863 1.00 0.00 C ATOM 583 NH1 ARG A 122 -0.501 11.435 -0.447 1.00 0.00 N ATOM 584 NH2 ARG A 122 -0.535 12.774 1.416 1.00 0.00 N ATOM 0 H ARG A 122 -2.157 5.440 -1.161 1.00 0.00 H new ATOM 0 HA ARG A 122 -1.222 8.034 -1.796 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -1.696 6.470 0.490 1.00 0.00 H new ATOM 0 HB3 ARG A 122 0.034 6.747 0.520 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -1.643 9.139 -0.063 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -1.805 8.470 1.548 1.00 0.00 H new ATOM 0 HD2 ARG A 122 0.662 8.579 1.847 1.00 0.00 H new ATOM 0 HD3 ARG A 122 0.831 9.238 0.231 1.00 0.00 H new ATOM 0 HE ARG A 122 0.056 10.681 2.625 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -0.368 10.519 -0.875 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -0.743 12.239 -1.027 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -0.428 12.890 2.424 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -0.777 13.576 0.833 1.00 0.00 H new ATOM 598 N ALA A 123 1.057 5.637 -1.675 1.00 0.00 N ATOM 599 CA ALA A 123 2.411 5.289 -2.088 1.00 0.00 C ATOM 600 C ALA A 123 2.560 5.368 -3.603 1.00 0.00 C ATOM 601 O ALA A 123 3.589 5.811 -4.113 1.00 0.00 O ATOM 602 CB ALA A 123 2.773 3.897 -1.591 1.00 0.00 C ATOM 0 H ALA A 123 0.544 4.877 -1.227 1.00 0.00 H new ATOM 0 HA ALA A 123 3.097 6.011 -1.644 1.00 0.00 H new ATOM 0 HB1 ALA A 123 3.787 3.650 -1.907 1.00 0.00 H new ATOM 0 HB2 ALA A 123 2.716 3.873 -0.503 1.00 0.00 H new ATOM 0 HB3 ALA A 123 2.076 3.169 -2.007 1.00 0.00 H new ATOM 608 N MET A 124 1.527 4.934 -4.318 1.00 0.00 N ATOM 609 CA MET A 124 1.544 4.956 -5.776 1.00 0.00 C ATOM 610 C MET A 124 1.671 6.384 -6.297 1.00 0.00 C ATOM 611 O MET A 124 2.449 6.655 -7.210 1.00 0.00 O ATOM 612 CB MET A 124 0.274 4.309 -6.332 1.00 0.00 C ATOM 613 CG MET A 124 0.396 3.882 -7.786 1.00 0.00 C ATOM 614 SD MET A 124 -0.590 4.905 -8.896 1.00 0.00 S ATOM 615 CE MET A 124 0.016 4.359 -10.490 1.00 0.00 C ATOM 0 H MET A 124 0.668 4.563 -3.912 1.00 0.00 H new ATOM 0 HA MET A 124 2.410 4.387 -6.113 1.00 0.00 H new ATOM 0 HB2 MET A 124 0.024 3.438 -5.726 1.00 0.00 H new ATOM 0 HB3 MET A 124 -0.554 5.012 -6.236 1.00 0.00 H new ATOM 0 HG2 MET A 124 1.442 3.930 -8.088 1.00 0.00 H new ATOM 0 HG3 MET A 124 0.083 2.842 -7.883 1.00 0.00 H new ATOM 0 HE1 MET A 124 -0.500 4.902 -11.281 1.00 0.00 H new ATOM 0 HE2 MET A 124 1.087 4.551 -10.557 1.00 0.00 H new ATOM 0 HE3 MET A 124 -0.169 3.291 -10.603 1.00 0.00 H new ATOM 625 N ASN A 125 0.900 7.294 -5.710 1.00 0.00 N ATOM 626 CA ASN A 125 0.927 8.695 -6.116 1.00 0.00 C ATOM 627 C ASN A 125 2.321 9.287 -5.937 1.00 0.00 C ATOM 628 O ASN A 125 2.866 9.906 -6.851 1.00 0.00 O ATOM 629 CB ASN A 125 -0.090 9.501 -5.305 1.00 0.00 C ATOM 630 CG ASN A 125 -1.443 9.576 -5.984 1.00 0.00 C ATOM 631 OD1 ASN A 125 -2.110 8.559 -6.177 1.00 0.00 O ATOM 632 ND2 ASN A 125 -1.855 10.784 -6.352 1.00 0.00 N ATOM 0 H ASN A 125 0.249 7.087 -4.952 1.00 0.00 H new ATOM 0 HA ASN A 125 0.663 8.747 -7.172 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -0.206 9.048 -4.320 1.00 0.00 H new ATOM 0 HB3 ASN A 125 0.292 10.510 -5.149 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -2.757 10.896 -6.815 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -1.269 11.599 -6.172 1.00 0.00 H new ATOM 639 N ARG A 126 2.894 9.091 -4.754 1.00 0.00 N ATOM 640 CA ARG A 126 4.225 9.606 -4.455 1.00 0.00 C ATOM 641 C ARG A 126 5.269 8.982 -5.376 1.00 0.00 C ATOM 642 O ARG A 126 6.297 9.593 -5.672 1.00 0.00 O ATOM 643 CB ARG A 126 4.586 9.329 -2.995 1.00 0.00 C ATOM 644 CG ARG A 126 5.313 10.479 -2.318 1.00 0.00 C ATOM 645 CD ARG A 126 4.613 10.903 -1.036 1.00 0.00 C ATOM 646 NE ARG A 126 5.545 11.470 -0.065 1.00 0.00 N ATOM 647 CZ ARG A 126 5.242 11.674 1.211 1.00 0.00 C ATOM 648 NH1 ARG A 126 4.038 11.359 1.669 1.00 0.00 N ATOM 649 NH2 ARG A 126 6.144 12.194 2.033 1.00 0.00 N ATOM 0 H ARG A 126 2.458 8.579 -3.987 1.00 0.00 H new ATOM 0 HA ARG A 126 4.216 10.683 -4.622 1.00 0.00 H new ATOM 0 HB2 ARG A 126 3.674 9.110 -2.440 1.00 0.00 H new ATOM 0 HB3 ARG A 126 5.211 8.437 -2.947 1.00 0.00 H new ATOM 0 HG2 ARG A 126 6.337 10.181 -2.093 1.00 0.00 H new ATOM 0 HG3 ARG A 126 5.370 11.327 -3.000 1.00 0.00 H new ATOM 0 HD2 ARG A 126 3.842 11.637 -1.270 1.00 0.00 H new ATOM 0 HD3 ARG A 126 4.110 10.042 -0.596 1.00 0.00 H new ATOM 0 HE ARG A 126 6.480 11.723 -0.385 1.00 0.00 H new ATOM 0 HH11 ARG A 126 3.342 10.959 1.040 1.00 0.00 H new ATOM 0 HH12 ARG A 126 3.808 11.517 2.650 1.00 0.00 H new ATOM 0 HH21 ARG A 126 7.071 12.437 1.685 1.00 0.00 H new ATOM 0 HH22 ARG A 126 5.910 12.350 3.013 1.00 0.00 H new ATOM 663 N LEU A 127 4.999 7.761 -5.826 1.00 0.00 N ATOM 664 CA LEU A 127 5.915 7.053 -6.714 1.00 0.00 C ATOM 665 C LEU A 127 5.893 7.657 -8.114 1.00 0.00 C ATOM 666 O LEU A 127 6.923 7.740 -8.782 1.00 0.00 O ATOM 667 CB LEU A 127 5.547 5.570 -6.780 1.00 0.00 C ATOM 668 CG LEU A 127 6.658 4.623 -7.235 1.00 0.00 C ATOM 669 CD1 LEU A 127 7.722 4.491 -6.157 1.00 0.00 C ATOM 670 CD2 LEU A 127 6.084 3.259 -7.590 1.00 0.00 C ATOM 0 H LEU A 127 4.154 7.241 -5.591 1.00 0.00 H new ATOM 0 HA LEU A 127 6.923 7.154 -6.311 1.00 0.00 H new ATOM 0 HB2 LEU A 127 5.211 5.255 -5.792 1.00 0.00 H new ATOM 0 HB3 LEU A 127 4.700 5.456 -7.457 1.00 0.00 H new ATOM 0 HG LEU A 127 7.124 5.042 -8.127 1.00 0.00 H new ATOM 0 HD11 LEU A 127 8.504 3.813 -6.499 1.00 0.00 H new ATOM 0 HD12 LEU A 127 8.155 5.470 -5.951 1.00 0.00 H new ATOM 0 HD13 LEU A 127 7.271 4.095 -5.247 1.00 0.00 H new ATOM 0 HD21 LEU A 127 6.889 2.598 -7.912 1.00 0.00 H new ATOM 0 HD22 LEU A 127 5.592 2.833 -6.716 1.00 0.00 H new ATOM 0 HD23 LEU A 127 5.360 3.368 -8.397 1.00 0.00 H new ATOM 682 N SER A 128 4.711 8.081 -8.552 1.00 0.00 N ATOM 683 CA SER A 128 4.554 8.676 -9.874 1.00 0.00 C ATOM 684 C SER A 128 5.238 10.039 -9.940 1.00 0.00 C ATOM 685 O SER A 128 5.963 10.336 -10.889 1.00 0.00 O ATOM 686 CB SER A 128 3.070 8.820 -10.218 1.00 0.00 C ATOM 687 OG SER A 128 2.885 8.994 -11.613 1.00 0.00 O ATOM 0 H SER A 128 3.849 8.023 -8.010 1.00 0.00 H new ATOM 0 HA SER A 128 5.026 8.016 -10.602 1.00 0.00 H new ATOM 0 HB2 SER A 128 2.528 7.935 -9.884 1.00 0.00 H new ATOM 0 HB3 SER A 128 2.650 9.672 -9.683 1.00 0.00 H new ATOM 0 HG SER A 128 1.929 9.082 -11.808 1.00 0.00 H new ATOM 693 N VAL A 129 5.000 10.863 -8.925 1.00 0.00 N ATOM 694 CA VAL A 129 5.593 12.194 -8.866 1.00 0.00 C ATOM 695 C VAL A 129 7.112 12.115 -8.770 1.00 0.00 C ATOM 696 O VAL A 129 7.823 12.956 -9.319 1.00 0.00 O ATOM 697 CB VAL A 129 5.054 12.996 -7.666 1.00 0.00 C ATOM 698 CG1 VAL A 129 5.322 12.254 -6.365 1.00 0.00 C ATOM 699 CG2 VAL A 129 5.672 14.385 -7.634 1.00 0.00 C ATOM 0 H VAL A 129 4.401 10.633 -8.132 1.00 0.00 H new ATOM 0 HA VAL A 129 5.317 12.705 -9.788 1.00 0.00 H new ATOM 0 HB VAL A 129 3.975 13.106 -7.778 1.00 0.00 H new ATOM 0 HG11 VAL A 129 4.935 12.835 -5.528 1.00 0.00 H new ATOM 0 HG12 VAL A 129 4.828 11.283 -6.392 1.00 0.00 H new ATOM 0 HG13 VAL A 129 6.396 12.112 -6.242 1.00 0.00 H new ATOM 0 HG21 VAL A 129 5.280 14.938 -6.780 1.00 0.00 H new ATOM 0 HG22 VAL A 129 6.755 14.299 -7.545 1.00 0.00 H new ATOM 0 HG23 VAL A 129 5.424 14.915 -8.554 1.00 0.00 H new ATOM 709 N ALA A 130 7.603 11.098 -8.069 1.00 0.00 N ATOM 710 CA ALA A 130 9.039 10.908 -7.904 1.00 0.00 C ATOM 711 C ALA A 130 9.736 10.788 -9.254 1.00 0.00 C ATOM 712 O ALA A 130 10.675 11.529 -9.546 1.00 0.00 O ATOM 713 CB ALA A 130 9.313 9.675 -7.055 1.00 0.00 C ATOM 0 H ALA A 130 7.028 10.394 -7.607 1.00 0.00 H new ATOM 0 HA ALA A 130 9.440 11.784 -7.395 1.00 0.00 H new ATOM 0 HB1 ALA A 130 10.389 9.545 -6.940 1.00 0.00 H new ATOM 0 HB2 ALA A 130 8.855 9.800 -6.074 1.00 0.00 H new ATOM 0 HB3 ALA A 130 8.891 8.796 -7.543 1.00 0.00 H new ATOM 719 N GLU A 131 9.272 9.850 -10.074 1.00 0.00 N ATOM 720 CA GLU A 131 9.854 9.633 -11.393 1.00 0.00 C ATOM 721 C GLU A 131 9.934 10.942 -12.174 1.00 0.00 C ATOM 722 O GLU A 131 11.020 11.401 -12.527 1.00 0.00 O ATOM 723 CB GLU A 131 9.030 8.609 -12.177 1.00 0.00 C ATOM 724 CG GLU A 131 9.516 7.180 -12.008 1.00 0.00 C ATOM 725 CD GLU A 131 9.573 6.424 -13.322 1.00 0.00 C ATOM 726 OE1 GLU A 131 9.984 7.028 -14.335 1.00 0.00 O ATOM 727 OE2 GLU A 131 9.207 5.231 -13.337 1.00 0.00 O ATOM 0 H GLU A 131 8.495 9.229 -9.848 1.00 0.00 H new ATOM 0 HA GLU A 131 10.865 9.248 -11.257 1.00 0.00 H new ATOM 0 HB2 GLU A 131 7.990 8.670 -11.857 1.00 0.00 H new ATOM 0 HB3 GLU A 131 9.054 8.869 -13.235 1.00 0.00 H new ATOM 0 HG2 GLU A 131 10.507 7.188 -11.555 1.00 0.00 H new ATOM 0 HG3 GLU A 131 8.855 6.654 -11.319 1.00 0.00 H new ATOM 734 N MET A 132 8.776 11.537 -12.441 1.00 0.00 N ATOM 735 CA MET A 132 8.715 12.793 -13.180 1.00 0.00 C ATOM 736 C MET A 132 8.727 13.985 -12.227 1.00 0.00 C ATOM 737 O MET A 132 7.983 14.948 -12.413 1.00 0.00 O ATOM 738 CB MET A 132 7.459 12.835 -14.053 1.00 0.00 C ATOM 739 CG MET A 132 7.463 11.809 -15.174 1.00 0.00 C ATOM 740 SD MET A 132 8.304 12.401 -16.655 1.00 0.00 S ATOM 741 CE MET A 132 7.036 12.137 -17.892 1.00 0.00 C ATOM 0 H MET A 132 7.868 11.170 -12.157 1.00 0.00 H new ATOM 0 HA MET A 132 9.595 12.853 -13.820 1.00 0.00 H new ATOM 0 HB2 MET A 132 6.584 12.670 -13.424 1.00 0.00 H new ATOM 0 HB3 MET A 132 7.359 13.831 -14.484 1.00 0.00 H new ATOM 0 HG2 MET A 132 7.948 10.898 -14.825 1.00 0.00 H new ATOM 0 HG3 MET A 132 6.435 11.547 -15.425 1.00 0.00 H new ATOM 0 HE1 MET A 132 7.406 12.456 -18.866 1.00 0.00 H new ATOM 0 HE2 MET A 132 6.780 11.078 -17.930 1.00 0.00 H new ATOM 0 HE3 MET A 132 6.149 12.716 -17.633 1.00 0.00 H new ATOM 751 N LYS A 133 9.575 13.913 -11.208 1.00 0.00 N ATOM 752 CA LYS A 133 9.686 14.986 -10.226 1.00 0.00 C ATOM 753 C LYS A 133 10.267 16.245 -10.860 1.00 0.00 C ATOM 754 O LYS A 133 11.180 16.173 -11.684 1.00 0.00 O ATOM 755 CB LYS A 133 10.561 14.542 -9.052 1.00 0.00 C ATOM 756 CG LYS A 133 10.691 15.591 -7.961 1.00 0.00 C ATOM 757 CD LYS A 133 9.367 15.830 -7.256 1.00 0.00 C ATOM 758 CE LYS A 133 8.864 17.248 -7.480 1.00 0.00 C ATOM 759 NZ LYS A 133 7.690 17.563 -6.619 1.00 0.00 N ATOM 0 H LYS A 133 10.197 13.122 -11.040 1.00 0.00 H new ATOM 0 HA LYS A 133 8.685 15.214 -9.859 1.00 0.00 H new ATOM 0 HB2 LYS A 133 10.143 13.632 -8.622 1.00 0.00 H new ATOM 0 HB3 LYS A 133 11.554 14.292 -9.424 1.00 0.00 H new ATOM 0 HG2 LYS A 133 11.438 15.271 -7.235 1.00 0.00 H new ATOM 0 HG3 LYS A 133 11.047 16.526 -8.394 1.00 0.00 H new ATOM 0 HD2 LYS A 133 8.626 15.118 -7.620 1.00 0.00 H new ATOM 0 HD3 LYS A 133 9.485 15.649 -6.188 1.00 0.00 H new ATOM 0 HE2 LYS A 133 9.667 17.955 -7.272 1.00 0.00 H new ATOM 0 HE3 LYS A 133 8.591 17.375 -8.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 7.377 18.538 -6.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 6.914 16.905 -6.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 7.957 17.467 -5.619 1.00 0.00 H new TER 773 LYS A 133