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 K(o=0,f=-0.79) 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 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 132 MET CE :methyl -170:sc= 0 (180deg=-0.137) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 88 9.269 9.292 3.384 1.00 0.00 N ATOM 2 CA ILE A 88 10.517 10.030 3.538 1.00 0.00 C ATOM 3 C ILE A 88 11.646 9.370 2.754 1.00 0.00 C ATOM 4 O ILE A 88 12.431 10.046 2.087 1.00 0.00 O ATOM 5 CB ILE A 88 10.929 10.138 5.018 1.00 0.00 C ATOM 6 CG1 ILE A 88 9.767 10.676 5.856 1.00 0.00 C ATOM 7 CG2 ILE A 88 12.152 11.030 5.164 1.00 0.00 C ATOM 8 CD1 ILE A 88 10.067 10.737 7.337 1.00 0.00 C ATOM 0 HA ILE A 88 10.342 11.031 3.145 1.00 0.00 H new ATOM 0 HB ILE A 88 11.184 9.143 5.382 1.00 0.00 H new ATOM 0 HG12 ILE A 88 9.508 11.675 5.505 1.00 0.00 H new ATOM 0 HG13 ILE A 88 8.892 10.046 5.696 1.00 0.00 H new ATOM 0 HG21 ILE A 88 12.431 11.096 6.216 1.00 0.00 H new ATOM 0 HG22 ILE A 88 12.980 10.608 4.595 1.00 0.00 H new ATOM 0 HG23 ILE A 88 11.923 12.026 4.786 1.00 0.00 H new ATOM 0 HD11 ILE A 88 9.199 11.128 7.868 1.00 0.00 H new ATOM 0 HD12 ILE A 88 10.296 9.736 7.703 1.00 0.00 H new ATOM 0 HD13 ILE A 88 10.922 11.391 7.508 1.00 0.00 H new ATOM 20 N ASP A 89 11.722 8.047 2.837 1.00 0.00 N ATOM 21 CA ASP A 89 12.753 7.294 2.133 1.00 0.00 C ATOM 22 C ASP A 89 12.131 6.317 1.140 1.00 0.00 C ATOM 23 O ASP A 89 10.969 5.935 1.275 1.00 0.00 O ATOM 24 CB ASP A 89 13.632 6.537 3.130 1.00 0.00 C ATOM 25 CG ASP A 89 14.814 7.360 3.601 1.00 0.00 C ATOM 26 OD1 ASP A 89 14.872 8.561 3.265 1.00 0.00 O ATOM 27 OD2 ASP A 89 15.683 6.803 4.305 1.00 0.00 O ATOM 0 H ASP A 89 11.081 7.473 3.385 1.00 0.00 H new ATOM 0 HA ASP A 89 13.371 8.002 1.580 1.00 0.00 H new ATOM 0 HB2 ASP A 89 13.031 6.244 3.991 1.00 0.00 H new ATOM 0 HB3 ASP A 89 13.994 5.619 2.667 1.00 0.00 H new ATOM 32 N VAL A 90 12.913 5.917 0.143 1.00 0.00 N ATOM 33 CA VAL A 90 12.439 4.985 -0.873 1.00 0.00 C ATOM 34 C VAL A 90 12.234 3.592 -0.288 1.00 0.00 C ATOM 35 O VAL A 90 11.246 2.920 -0.587 1.00 0.00 O ATOM 36 CB VAL A 90 13.423 4.894 -2.054 1.00 0.00 C ATOM 37 CG1 VAL A 90 12.852 4.019 -3.160 1.00 0.00 C ATOM 38 CG2 VAL A 90 13.754 6.283 -2.579 1.00 0.00 C ATOM 0 H VAL A 90 13.878 6.224 0.017 1.00 0.00 H new ATOM 0 HA VAL A 90 11.485 5.369 -1.234 1.00 0.00 H new ATOM 0 HB VAL A 90 14.346 4.434 -1.701 1.00 0.00 H new ATOM 0 HG11 VAL A 90 13.562 3.967 -3.986 1.00 0.00 H new ATOM 0 HG12 VAL A 90 12.671 3.016 -2.773 1.00 0.00 H new ATOM 0 HG13 VAL A 90 11.914 4.446 -3.514 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.451 6.200 -3.413 1.00 0.00 H new ATOM 0 HG22 VAL A 90 12.840 6.772 -2.916 1.00 0.00 H new ATOM 0 HG23 VAL A 90 14.209 6.874 -1.784 1.00 0.00 H new ATOM 48 N LEU A 91 13.173 3.164 0.548 1.00 0.00 N ATOM 49 CA LEU A 91 13.096 1.850 1.176 1.00 0.00 C ATOM 50 C LEU A 91 11.867 1.747 2.073 1.00 0.00 C ATOM 51 O LEU A 91 11.184 0.722 2.092 1.00 0.00 O ATOM 52 CB LEU A 91 14.361 1.578 1.992 1.00 0.00 C ATOM 53 CG LEU A 91 15.237 0.423 1.507 1.00 0.00 C ATOM 54 CD1 LEU A 91 16.705 0.718 1.773 1.00 0.00 C ATOM 55 CD2 LEU A 91 14.824 -0.878 2.178 1.00 0.00 C ATOM 0 H LEU A 91 13.996 3.708 0.807 1.00 0.00 H new ATOM 0 HA LEU A 91 13.012 1.102 0.388 1.00 0.00 H new ATOM 0 HB2 LEU A 91 14.964 2.486 2.003 1.00 0.00 H new ATOM 0 HB3 LEU A 91 14.068 1.378 3.023 1.00 0.00 H new ATOM 0 HG LEU A 91 15.098 0.314 0.431 1.00 0.00 H new ATOM 0 HD11 LEU A 91 17.313 -0.115 1.421 1.00 0.00 H new ATOM 0 HD12 LEU A 91 16.995 1.627 1.246 1.00 0.00 H new ATOM 0 HD13 LEU A 91 16.861 0.854 2.843 1.00 0.00 H new ATOM 0 HD21 LEU A 91 15.458 -1.689 1.821 1.00 0.00 H new ATOM 0 HD22 LEU A 91 14.933 -0.781 3.258 1.00 0.00 H new ATOM 0 HD23 LEU A 91 13.784 -1.098 1.937 1.00 0.00 H new ATOM 67 N ARG A 92 11.589 2.815 2.814 1.00 0.00 N ATOM 68 CA ARG A 92 10.442 2.845 3.712 1.00 0.00 C ATOM 69 C ARG A 92 9.137 2.722 2.931 1.00 0.00 C ATOM 70 O ARG A 92 8.293 1.881 3.240 1.00 0.00 O ATOM 71 CB ARG A 92 10.440 4.138 4.528 1.00 0.00 C ATOM 72 CG ARG A 92 10.385 3.911 6.030 1.00 0.00 C ATOM 73 CD ARG A 92 11.036 5.055 6.791 1.00 0.00 C ATOM 74 NE ARG A 92 10.620 5.088 8.191 1.00 0.00 N ATOM 75 CZ ARG A 92 10.979 6.044 9.042 1.00 0.00 C ATOM 76 NH1 ARG A 92 11.755 7.040 8.636 1.00 0.00 N ATOM 77 NH2 ARG A 92 10.560 6.004 10.300 1.00 0.00 N ATOM 0 H ARG A 92 12.143 3.671 2.810 1.00 0.00 H new ATOM 0 HA ARG A 92 10.521 1.995 4.390 1.00 0.00 H new ATOM 0 HB2 ARG A 92 11.336 4.710 4.288 1.00 0.00 H new ATOM 0 HB3 ARG A 92 9.585 4.745 4.229 1.00 0.00 H new ATOM 0 HG2 ARG A 92 9.347 3.807 6.345 1.00 0.00 H new ATOM 0 HG3 ARG A 92 10.888 2.976 6.276 1.00 0.00 H new ATOM 0 HD2 ARG A 92 12.120 4.956 6.737 1.00 0.00 H new ATOM 0 HD3 ARG A 92 10.779 6.001 6.314 1.00 0.00 H new ATOM 0 HE ARG A 92 10.022 4.337 8.534 1.00 0.00 H new ATOM 0 HH11 ARG A 92 12.078 7.074 7.669 1.00 0.00 H new ATOM 0 HH12 ARG A 92 12.029 7.772 9.291 1.00 0.00 H new ATOM 0 HH21 ARG A 92 9.962 5.240 10.614 1.00 0.00 H new ATOM 0 HH22 ARG A 92 10.836 6.738 10.953 1.00 0.00 H new ATOM 91 N ALA A 93 8.978 3.566 1.917 1.00 0.00 N ATOM 92 CA ALA A 93 7.777 3.551 1.090 1.00 0.00 C ATOM 93 C ALA A 93 7.520 2.160 0.522 1.00 0.00 C ATOM 94 O ALA A 93 6.383 1.687 0.498 1.00 0.00 O ATOM 95 CB ALA A 93 7.897 4.569 -0.032 1.00 0.00 C ATOM 0 H ALA A 93 9.666 4.269 1.648 1.00 0.00 H new ATOM 0 HA ALA A 93 6.928 3.820 1.719 1.00 0.00 H new ATOM 0 HB1 ALA A 93 6.994 4.547 -0.641 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.024 5.565 0.392 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.759 4.326 -0.653 1.00 0.00 H new ATOM 101 N LYS A 94 8.583 1.507 0.063 1.00 0.00 N ATOM 102 CA LYS A 94 8.473 0.169 -0.506 1.00 0.00 C ATOM 103 C LYS A 94 7.961 -0.823 0.532 1.00 0.00 C ATOM 104 O LYS A 94 7.080 -1.634 0.249 1.00 0.00 O ATOM 105 CB LYS A 94 9.830 -0.292 -1.042 1.00 0.00 C ATOM 106 CG LYS A 94 9.771 -1.610 -1.794 1.00 0.00 C ATOM 107 CD LYS A 94 11.037 -1.851 -2.598 1.00 0.00 C ATOM 108 CE LYS A 94 11.415 -3.324 -2.615 1.00 0.00 C ATOM 109 NZ LYS A 94 12.413 -3.653 -1.560 1.00 0.00 N ATOM 0 H LYS A 94 9.531 1.883 0.074 1.00 0.00 H new ATOM 0 HA LYS A 94 7.759 0.208 -1.328 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.230 0.476 -1.703 1.00 0.00 H new ATOM 0 HB3 LYS A 94 10.526 -0.389 -0.209 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.627 -2.427 -1.087 1.00 0.00 H new ATOM 0 HG3 LYS A 94 8.909 -1.611 -2.462 1.00 0.00 H new ATOM 0 HD2 LYS A 94 10.893 -1.500 -3.620 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.855 -1.269 -2.173 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.521 -3.930 -2.470 1.00 0.00 H new ATOM 0 HE3 LYS A 94 11.821 -3.583 -3.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.644 -4.666 -1.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 13.276 -3.094 -1.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 12.016 -3.430 -0.625 1.00 0.00 H new ATOM 123 N ALA A 95 8.518 -0.752 1.737 1.00 0.00 N ATOM 124 CA ALA A 95 8.115 -1.642 2.819 1.00 0.00 C ATOM 125 C ALA A 95 6.657 -1.414 3.203 1.00 0.00 C ATOM 126 O ALA A 95 5.945 -2.352 3.560 1.00 0.00 O ATOM 127 CB ALA A 95 9.018 -1.447 4.027 1.00 0.00 C ATOM 0 H ALA A 95 9.250 -0.087 1.988 1.00 0.00 H new ATOM 0 HA ALA A 95 8.214 -2.669 2.468 1.00 0.00 H new ATOM 0 HB1 ALA A 95 8.705 -2.118 4.827 1.00 0.00 H new ATOM 0 HB2 ALA A 95 10.049 -1.668 3.750 1.00 0.00 H new ATOM 0 HB3 ALA A 95 8.948 -0.415 4.371 1.00 0.00 H new ATOM 133 N ALA A 96 6.219 -0.162 3.127 1.00 0.00 N ATOM 134 CA ALA A 96 4.845 0.189 3.466 1.00 0.00 C ATOM 135 C ALA A 96 3.858 -0.467 2.506 1.00 0.00 C ATOM 136 O ALA A 96 2.801 -0.946 2.917 1.00 0.00 O ATOM 137 CB ALA A 96 4.669 1.700 3.455 1.00 0.00 C ATOM 0 H ALA A 96 6.796 0.627 2.834 1.00 0.00 H new ATOM 0 HA ALA A 96 4.638 -0.183 4.469 1.00 0.00 H new ATOM 0 HB1 ALA A 96 3.639 1.948 3.710 1.00 0.00 H new ATOM 0 HB2 ALA A 96 5.342 2.150 4.185 1.00 0.00 H new ATOM 0 HB3 ALA A 96 4.900 2.086 2.462 1.00 0.00 H new ATOM 143 N LYS A 97 4.209 -0.485 1.224 1.00 0.00 N ATOM 144 CA LYS A 97 3.355 -1.083 0.206 1.00 0.00 C ATOM 145 C LYS A 97 3.237 -2.590 0.410 1.00 0.00 C ATOM 146 O LYS A 97 2.168 -3.169 0.220 1.00 0.00 O ATOM 147 CB LYS A 97 3.910 -0.789 -1.190 1.00 0.00 C ATOM 148 CG LYS A 97 2.929 -0.064 -2.094 1.00 0.00 C ATOM 149 CD LYS A 97 3.384 -0.086 -3.544 1.00 0.00 C ATOM 150 CE LYS A 97 2.821 1.092 -4.323 1.00 0.00 C ATOM 151 NZ LYS A 97 3.839 2.160 -4.525 1.00 0.00 N ATOM 0 H LYS A 97 5.080 -0.092 0.866 1.00 0.00 H new ATOM 0 HA LYS A 97 2.362 -0.643 0.297 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.814 -0.188 -1.093 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.200 -1.728 -1.662 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.947 -0.529 -2.013 1.00 0.00 H new ATOM 0 HG3 LYS A 97 2.821 0.968 -1.761 1.00 0.00 H new ATOM 0 HD2 LYS A 97 4.473 -0.063 -3.585 1.00 0.00 H new ATOM 0 HD3 LYS A 97 3.067 -1.018 -4.012 1.00 0.00 H new ATOM 0 HE2 LYS A 97 2.459 0.747 -5.292 1.00 0.00 H new ATOM 0 HE3 LYS A 97 1.964 1.503 -3.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 3.417 2.946 -5.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 4.166 2.507 -3.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 4.646 1.774 -5.056 1.00 0.00 H new ATOM 165 N GLU A 98 4.341 -3.218 0.800 1.00 0.00 N ATOM 166 CA GLU A 98 4.359 -4.658 1.031 1.00 0.00 C ATOM 167 C GLU A 98 3.473 -5.030 2.216 1.00 0.00 C ATOM 168 O GLU A 98 2.846 -6.089 2.228 1.00 0.00 O ATOM 169 CB GLU A 98 5.790 -5.139 1.280 1.00 0.00 C ATOM 170 CG GLU A 98 6.276 -6.156 0.260 1.00 0.00 C ATOM 171 CD GLU A 98 5.442 -7.422 0.256 1.00 0.00 C ATOM 172 OE1 GLU A 98 5.482 -8.163 1.261 1.00 0.00 O ATOM 173 OE2 GLU A 98 4.749 -7.672 -0.751 1.00 0.00 O ATOM 0 H GLU A 98 5.234 -2.753 0.963 1.00 0.00 H new ATOM 0 HA GLU A 98 3.968 -5.148 0.139 1.00 0.00 H new ATOM 0 HB2 GLU A 98 6.460 -4.279 1.271 1.00 0.00 H new ATOM 0 HB3 GLU A 98 5.849 -5.579 2.276 1.00 0.00 H new ATOM 0 HG2 GLU A 98 6.254 -5.708 -0.733 1.00 0.00 H new ATOM 0 HG3 GLU A 98 7.315 -6.410 0.472 1.00 0.00 H new ATOM 180 N ARG A 99 3.427 -4.151 3.212 1.00 0.00 N ATOM 181 CA ARG A 99 2.620 -4.387 4.403 1.00 0.00 C ATOM 182 C ARG A 99 1.135 -4.426 4.054 1.00 0.00 C ATOM 183 O ARG A 99 0.403 -5.304 4.510 1.00 0.00 O ATOM 184 CB ARG A 99 2.881 -3.298 5.446 1.00 0.00 C ATOM 185 CG ARG A 99 2.407 -3.667 6.843 1.00 0.00 C ATOM 186 CD ARG A 99 3.433 -4.522 7.571 1.00 0.00 C ATOM 187 NE ARG A 99 3.196 -5.949 7.372 1.00 0.00 N ATOM 188 CZ ARG A 99 3.694 -6.894 8.162 1.00 0.00 C ATOM 189 NH1 ARG A 99 4.451 -6.564 9.200 1.00 0.00 N ATOM 190 NH2 ARG A 99 3.434 -8.171 7.916 1.00 0.00 N ATOM 0 H ARG A 99 3.939 -3.269 3.218 1.00 0.00 H new ATOM 0 HA ARG A 99 2.904 -5.354 4.818 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.950 -3.086 5.478 1.00 0.00 H new ATOM 0 HB3 ARG A 99 2.383 -2.380 5.133 1.00 0.00 H new ATOM 0 HG2 ARG A 99 2.216 -2.759 7.415 1.00 0.00 H new ATOM 0 HG3 ARG A 99 1.462 -4.207 6.777 1.00 0.00 H new ATOM 0 HD2 ARG A 99 4.433 -4.268 7.218 1.00 0.00 H new ATOM 0 HD3 ARG A 99 3.404 -4.295 8.637 1.00 0.00 H new ATOM 0 HE ARG A 99 2.616 -6.236 6.583 1.00 0.00 H new ATOM 0 HH11 ARG A 99 4.652 -5.583 9.393 1.00 0.00 H new ATOM 0 HH12 ARG A 99 4.832 -7.291 9.805 1.00 0.00 H new ATOM 0 HH21 ARG A 99 2.851 -8.429 7.120 1.00 0.00 H new ATOM 0 HH22 ARG A 99 3.817 -8.896 8.523 1.00 0.00 H new ATOM 204 N ALA A 100 0.697 -3.468 3.242 1.00 0.00 N ATOM 205 CA ALA A 100 -0.699 -3.394 2.832 1.00 0.00 C ATOM 206 C ALA A 100 -1.059 -4.546 1.900 1.00 0.00 C ATOM 207 O ALA A 100 -2.100 -5.182 2.058 1.00 0.00 O ATOM 208 CB ALA A 100 -0.981 -2.059 2.158 1.00 0.00 C ATOM 0 H ALA A 100 1.290 -2.733 2.856 1.00 0.00 H new ATOM 0 HA ALA A 100 -1.319 -3.476 3.725 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -2.028 -2.017 1.857 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -0.772 -1.248 2.855 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -0.346 -1.954 1.278 1.00 0.00 H new ATOM 214 N GLU A 101 -0.191 -4.808 0.928 1.00 0.00 N ATOM 215 CA GLU A 101 -0.420 -5.883 -0.030 1.00 0.00 C ATOM 216 C GLU A 101 -0.620 -7.216 0.685 1.00 0.00 C ATOM 217 O GLU A 101 -1.464 -8.022 0.293 1.00 0.00 O ATOM 218 CB GLU A 101 0.755 -5.986 -1.004 1.00 0.00 C ATOM 219 CG GLU A 101 0.823 -4.841 -2.000 1.00 0.00 C ATOM 220 CD GLU A 101 2.202 -4.678 -2.610 1.00 0.00 C ATOM 221 OE1 GLU A 101 2.724 -5.664 -3.170 1.00 0.00 O ATOM 222 OE2 GLU A 101 2.758 -3.563 -2.526 1.00 0.00 O ATOM 0 H GLU A 101 0.676 -4.291 0.783 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.327 -5.650 -0.588 1.00 0.00 H new ATOM 0 HB2 GLU A 101 1.685 -6.018 -0.436 1.00 0.00 H new ATOM 0 HB3 GLU A 101 0.682 -6.927 -1.549 1.00 0.00 H new ATOM 0 HG2 GLU A 101 0.097 -5.012 -2.794 1.00 0.00 H new ATOM 0 HG3 GLU A 101 0.538 -3.914 -1.502 1.00 0.00 H new ATOM 229 N ARG A 102 0.162 -7.440 1.736 1.00 0.00 N ATOM 230 CA ARG A 102 0.073 -8.675 2.505 1.00 0.00 C ATOM 231 C ARG A 102 -1.260 -8.761 3.242 1.00 0.00 C ATOM 232 O ARG A 102 -1.926 -9.797 3.224 1.00 0.00 O ATOM 233 CB ARG A 102 1.227 -8.763 3.504 1.00 0.00 C ATOM 234 CG ARG A 102 1.658 -10.188 3.814 1.00 0.00 C ATOM 235 CD ARG A 102 2.954 -10.218 4.609 1.00 0.00 C ATOM 236 NE ARG A 102 3.156 -11.499 5.279 1.00 0.00 N ATOM 237 CZ ARG A 102 4.328 -11.902 5.758 1.00 0.00 C ATOM 238 NH1 ARG A 102 5.397 -11.127 5.640 1.00 0.00 N ATOM 239 NH2 ARG A 102 4.432 -13.082 6.356 1.00 0.00 N ATOM 0 H ARG A 102 0.864 -6.782 2.074 1.00 0.00 H new ATOM 0 HA ARG A 102 0.139 -9.512 1.810 1.00 0.00 H new ATOM 0 HB2 ARG A 102 2.081 -8.212 3.109 1.00 0.00 H new ATOM 0 HB3 ARG A 102 0.932 -8.272 4.431 1.00 0.00 H new ATOM 0 HG2 ARG A 102 0.873 -10.692 4.377 1.00 0.00 H new ATOM 0 HG3 ARG A 102 1.788 -10.741 2.883 1.00 0.00 H new ATOM 0 HD2 ARG A 102 3.793 -10.022 3.942 1.00 0.00 H new ATOM 0 HD3 ARG A 102 2.943 -9.419 5.350 1.00 0.00 H new ATOM 0 HE ARG A 102 2.353 -12.119 5.385 1.00 0.00 H new ATOM 0 HH11 ARG A 102 5.321 -10.219 5.181 1.00 0.00 H new ATOM 0 HH12 ARG A 102 6.296 -11.438 6.008 1.00 0.00 H new ATOM 0 HH21 ARG A 102 3.612 -13.681 6.448 1.00 0.00 H new ATOM 0 HH22 ARG A 102 5.332 -13.390 6.723 1.00 0.00 H new ATOM 253 N ARG A 103 -1.643 -7.666 3.891 1.00 0.00 N ATOM 254 CA ARG A 103 -2.896 -7.619 4.636 1.00 0.00 C ATOM 255 C ARG A 103 -4.090 -7.806 3.705 1.00 0.00 C ATOM 256 O ARG A 103 -5.096 -8.409 4.081 1.00 0.00 O ATOM 257 CB ARG A 103 -3.020 -6.288 5.381 1.00 0.00 C ATOM 258 CG ARG A 103 -2.861 -6.416 6.887 1.00 0.00 C ATOM 259 CD ARG A 103 -1.892 -5.380 7.434 1.00 0.00 C ATOM 260 NE ARG A 103 -1.866 -5.372 8.894 1.00 0.00 N ATOM 261 CZ ARG A 103 -1.249 -6.295 9.623 1.00 0.00 C ATOM 262 NH1 ARG A 103 -0.610 -7.294 9.031 1.00 0.00 N ATOM 263 NH2 ARG A 103 -1.270 -6.219 10.948 1.00 0.00 N ATOM 0 H ARG A 103 -1.104 -6.800 3.916 1.00 0.00 H new ATOM 0 HA ARG A 103 -2.891 -8.434 5.359 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -2.266 -5.598 5.002 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -3.993 -5.849 5.163 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -3.832 -6.298 7.368 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -2.503 -7.416 7.133 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -0.891 -5.584 7.055 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -2.175 -4.392 7.071 1.00 0.00 H new ATOM 0 HE ARG A 103 -2.348 -4.616 9.381 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -0.591 -7.355 8.013 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -0.137 -8.001 9.593 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -1.760 -5.451 11.407 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -0.796 -6.928 11.507 1.00 0.00 H new ATOM 277 N LEU A 104 -3.972 -7.287 2.488 1.00 0.00 N ATOM 278 CA LEU A 104 -5.041 -7.396 1.501 1.00 0.00 C ATOM 279 C LEU A 104 -5.441 -8.853 1.292 1.00 0.00 C ATOM 280 O LEU A 104 -6.623 -9.169 1.159 1.00 0.00 O ATOM 281 CB LEU A 104 -4.602 -6.780 0.172 1.00 0.00 C ATOM 282 CG LEU A 104 -5.685 -6.653 -0.899 1.00 0.00 C ATOM 283 CD1 LEU A 104 -5.491 -5.379 -1.705 1.00 0.00 C ATOM 284 CD2 LEU A 104 -5.676 -7.871 -1.811 1.00 0.00 C ATOM 0 H LEU A 104 -3.146 -6.786 2.161 1.00 0.00 H new ATOM 0 HA LEU A 104 -5.906 -6.850 1.878 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.197 -5.788 0.371 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -3.788 -7.381 -0.233 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.655 -6.601 -0.405 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -6.271 -5.305 -2.463 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.547 -4.516 -1.041 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.515 -5.400 -2.190 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.453 -7.765 -2.568 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.704 -7.954 -2.298 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.864 -8.768 -1.222 1.00 0.00 H new ATOM 296 N GLN A 105 -4.448 -9.736 1.265 1.00 0.00 N ATOM 297 CA GLN A 105 -4.697 -11.160 1.073 1.00 0.00 C ATOM 298 C GLN A 105 -5.545 -11.722 2.209 1.00 0.00 C ATOM 299 O GLN A 105 -6.309 -12.668 2.017 1.00 0.00 O ATOM 300 CB GLN A 105 -3.374 -11.923 0.982 1.00 0.00 C ATOM 301 CG GLN A 105 -3.080 -12.466 -0.406 1.00 0.00 C ATOM 302 CD GLN A 105 -1.795 -13.269 -0.459 1.00 0.00 C ATOM 303 OE1 GLN A 105 -1.394 -13.886 0.528 1.00 0.00 O ATOM 304 NE2 GLN A 105 -1.141 -13.265 -1.615 1.00 0.00 N ATOM 0 H GLN A 105 -3.464 -9.491 1.374 1.00 0.00 H new ATOM 0 HA GLN A 105 -5.245 -11.285 0.139 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -2.561 -11.262 1.284 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -3.392 -12.751 1.691 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -3.910 -13.094 -0.729 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -3.015 -11.636 -1.110 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -1.510 -12.740 -2.408 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -0.270 -13.787 -1.710 1.00 0.00 H new ATOM 313 N SER A 106 -5.403 -11.135 3.393 1.00 0.00 N ATOM 314 CA SER A 106 -6.153 -11.581 4.562 1.00 0.00 C ATOM 315 C SER A 106 -7.623 -11.187 4.446 1.00 0.00 C ATOM 316 O SER A 106 -8.024 -10.110 4.888 1.00 0.00 O ATOM 317 CB SER A 106 -5.552 -10.986 5.836 1.00 0.00 C ATOM 318 OG SER A 106 -4.196 -11.367 5.986 1.00 0.00 O ATOM 0 H SER A 106 -4.776 -10.350 3.568 1.00 0.00 H new ATOM 0 HA SER A 106 -6.089 -12.668 4.612 1.00 0.00 H new ATOM 0 HB2 SER A 106 -5.626 -9.899 5.804 1.00 0.00 H new ATOM 0 HB3 SER A 106 -6.124 -11.319 6.702 1.00 0.00 H new ATOM 0 HG SER A 106 -3.834 -10.972 6.807 1.00 0.00 H new ATOM 324 N GLN A 107 -8.420 -12.067 3.850 1.00 0.00 N ATOM 325 CA GLN A 107 -9.845 -11.811 3.676 1.00 0.00 C ATOM 326 C GLN A 107 -10.506 -11.483 5.011 1.00 0.00 C ATOM 327 O GLN A 107 -11.427 -10.669 5.073 1.00 0.00 O ATOM 328 CB GLN A 107 -10.528 -13.023 3.040 1.00 0.00 C ATOM 329 CG GLN A 107 -11.842 -12.689 2.352 1.00 0.00 C ATOM 330 CD GLN A 107 -12.986 -13.566 2.822 1.00 0.00 C ATOM 331 OE1 GLN A 107 -13.216 -14.649 2.282 1.00 0.00 O ATOM 332 NE2 GLN A 107 -13.710 -13.103 3.834 1.00 0.00 N ATOM 0 H GLN A 107 -8.104 -12.963 3.480 1.00 0.00 H new ATOM 0 HA GLN A 107 -9.956 -10.951 3.015 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -9.851 -13.472 2.313 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -10.711 -13.772 3.810 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -12.090 -11.644 2.538 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -11.722 -12.801 1.274 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -13.484 -12.200 4.252 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -14.492 -13.650 4.194 1.00 0.00 H new ATOM 341 N GLN A 108 -10.030 -12.122 6.074 1.00 0.00 N ATOM 342 CA GLN A 108 -10.577 -11.897 7.407 1.00 0.00 C ATOM 343 C GLN A 108 -10.445 -10.432 7.810 1.00 0.00 C ATOM 344 O GLN A 108 -11.229 -9.927 8.614 1.00 0.00 O ATOM 345 CB GLN A 108 -9.864 -12.785 8.430 1.00 0.00 C ATOM 346 CG GLN A 108 -10.341 -12.572 9.857 1.00 0.00 C ATOM 347 CD GLN A 108 -11.765 -13.045 10.073 1.00 0.00 C ATOM 348 OE1 GLN A 108 -12.661 -12.247 10.352 1.00 0.00 O ATOM 349 NE2 GLN A 108 -11.981 -14.349 9.947 1.00 0.00 N ATOM 0 H GLN A 108 -9.268 -12.799 6.039 1.00 0.00 H new ATOM 0 HA GLN A 108 -11.636 -12.155 7.386 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -10.013 -13.830 8.158 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -8.792 -12.593 8.381 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -9.678 -13.103 10.541 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -10.273 -11.513 10.105 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -11.209 -14.974 9.715 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -12.919 -14.726 10.082 1.00 0.00 H new ATOM 358 N ASP A 109 -9.451 -9.756 7.246 1.00 0.00 N ATOM 359 CA ASP A 109 -9.217 -8.348 7.545 1.00 0.00 C ATOM 360 C ASP A 109 -9.911 -7.452 6.523 1.00 0.00 C ATOM 361 O ASP A 109 -9.288 -6.569 5.934 1.00 0.00 O ATOM 362 CB ASP A 109 -7.717 -8.051 7.567 1.00 0.00 C ATOM 363 CG ASP A 109 -7.005 -8.752 8.707 1.00 0.00 C ATOM 364 OD1 ASP A 109 -7.225 -9.968 8.886 1.00 0.00 O ATOM 365 OD2 ASP A 109 -6.227 -8.084 9.421 1.00 0.00 O ATOM 0 H ASP A 109 -8.794 -10.160 6.579 1.00 0.00 H new ATOM 0 HA ASP A 109 -9.635 -8.137 8.529 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -7.274 -8.361 6.620 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -7.564 -6.975 7.653 1.00 0.00 H new ATOM 370 N ASP A 110 -11.202 -7.688 6.318 1.00 0.00 N ATOM 371 CA ASP A 110 -11.981 -6.903 5.367 1.00 0.00 C ATOM 372 C ASP A 110 -11.920 -5.418 5.710 1.00 0.00 C ATOM 373 O ASP A 110 -11.921 -4.565 4.822 1.00 0.00 O ATOM 374 CB ASP A 110 -13.435 -7.377 5.351 1.00 0.00 C ATOM 375 CG ASP A 110 -14.022 -7.396 3.954 1.00 0.00 C ATOM 376 OD1 ASP A 110 -13.851 -8.415 3.253 1.00 0.00 O ATOM 377 OD2 ASP A 110 -14.654 -6.393 3.561 1.00 0.00 O ATOM 0 H ASP A 110 -11.731 -8.416 6.797 1.00 0.00 H new ATOM 0 HA ASP A 110 -11.550 -7.046 4.376 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -13.493 -8.377 5.780 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -14.034 -6.723 5.985 1.00 0.00 H new ATOM 382 N ILE A 111 -11.868 -5.116 7.003 1.00 0.00 N ATOM 383 CA ILE A 111 -11.807 -3.734 7.462 1.00 0.00 C ATOM 384 C ILE A 111 -10.486 -3.082 7.069 1.00 0.00 C ATOM 385 O ILE A 111 -10.413 -1.867 6.885 1.00 0.00 O ATOM 386 CB ILE A 111 -11.979 -3.641 8.990 1.00 0.00 C ATOM 387 CG1 ILE A 111 -12.127 -2.180 9.421 1.00 0.00 C ATOM 388 CG2 ILE A 111 -10.798 -4.290 9.696 1.00 0.00 C ATOM 389 CD1 ILE A 111 -12.869 -2.007 10.727 1.00 0.00 C ATOM 0 H ILE A 111 -11.867 -5.810 7.751 1.00 0.00 H new ATOM 0 HA ILE A 111 -12.628 -3.204 6.979 1.00 0.00 H new ATOM 0 HB ILE A 111 -12.885 -4.177 9.272 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -11.136 -1.735 9.514 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -12.651 -1.630 8.639 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -10.934 -4.216 10.775 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -10.735 -5.340 9.409 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -9.878 -3.780 9.411 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -12.936 -0.946 10.970 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -13.873 -2.422 10.633 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -12.334 -2.528 11.521 1.00 0.00 H new ATOM 401 N ASP A 112 -9.445 -3.897 6.943 1.00 0.00 N ATOM 402 CA ASP A 112 -8.126 -3.400 6.568 1.00 0.00 C ATOM 403 C ASP A 112 -8.039 -3.171 5.063 1.00 0.00 C ATOM 404 O ASP A 112 -7.285 -2.315 4.598 1.00 0.00 O ATOM 405 CB ASP A 112 -7.043 -4.385 7.010 1.00 0.00 C ATOM 406 CG ASP A 112 -5.738 -3.695 7.355 1.00 0.00 C ATOM 407 OD1 ASP A 112 -5.434 -2.656 6.732 1.00 0.00 O ATOM 408 OD2 ASP A 112 -5.020 -4.193 8.248 1.00 0.00 O ATOM 0 H ASP A 112 -9.489 -4.905 7.095 1.00 0.00 H new ATOM 0 HA ASP A 112 -7.967 -2.446 7.072 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -7.396 -4.943 7.877 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -6.868 -5.109 6.214 1.00 0.00 H new ATOM 413 N PHE A 113 -8.813 -3.941 4.306 1.00 0.00 N ATOM 414 CA PHE A 113 -8.822 -3.822 2.852 1.00 0.00 C ATOM 415 C PHE A 113 -9.136 -2.392 2.425 1.00 0.00 C ATOM 416 O PHE A 113 -8.479 -1.836 1.545 1.00 0.00 O ATOM 417 CB PHE A 113 -9.847 -4.784 2.248 1.00 0.00 C ATOM 418 CG PHE A 113 -9.778 -4.869 0.750 1.00 0.00 C ATOM 419 CD1 PHE A 113 -10.327 -3.871 -0.038 1.00 0.00 C ATOM 420 CD2 PHE A 113 -9.165 -5.946 0.131 1.00 0.00 C ATOM 421 CE1 PHE A 113 -10.266 -3.947 -1.418 1.00 0.00 C ATOM 422 CE2 PHE A 113 -9.100 -6.027 -1.247 1.00 0.00 C ATOM 423 CZ PHE A 113 -9.651 -5.025 -2.022 1.00 0.00 C ATOM 0 H PHE A 113 -9.442 -4.654 4.675 1.00 0.00 H new ATOM 0 HA PHE A 113 -7.829 -4.082 2.485 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -9.692 -5.778 2.668 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -10.848 -4.467 2.540 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -10.808 -3.025 0.430 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -8.733 -6.732 0.733 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -10.699 -3.164 -2.022 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -8.619 -6.872 -1.717 1.00 0.00 H new ATOM 0 HZ PHE A 113 -9.601 -5.085 -3.099 1.00 0.00 H new ATOM 433 N LYS A 114 -10.146 -1.801 3.055 1.00 0.00 N ATOM 434 CA LYS A 114 -10.549 -0.435 2.742 1.00 0.00 C ATOM 435 C LYS A 114 -9.379 0.530 2.910 1.00 0.00 C ATOM 436 O LYS A 114 -8.998 1.228 1.970 1.00 0.00 O ATOM 437 CB LYS A 114 -11.711 -0.006 3.641 1.00 0.00 C ATOM 438 CG LYS A 114 -12.568 1.096 3.042 1.00 0.00 C ATOM 439 CD LYS A 114 -13.808 0.533 2.368 1.00 0.00 C ATOM 440 CE LYS A 114 -14.928 0.295 3.369 1.00 0.00 C ATOM 441 NZ LYS A 114 -16.169 -0.196 2.707 1.00 0.00 N ATOM 0 H LYS A 114 -10.701 -2.247 3.786 1.00 0.00 H new ATOM 0 HA LYS A 114 -10.873 -0.408 1.702 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -12.340 -0.872 3.847 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -11.313 0.334 4.597 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -12.864 1.795 3.825 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -11.982 1.660 2.316 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -14.149 1.223 1.596 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -13.559 -0.404 1.870 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -14.602 -0.432 4.113 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -15.143 1.222 3.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -16.908 -0.346 3.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -16.495 0.508 2.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -15.971 -1.094 2.220 1.00 0.00 H new ATOM 455 N ARG A 115 -8.813 0.561 4.112 1.00 0.00 N ATOM 456 CA ARG A 115 -7.686 1.440 4.402 1.00 0.00 C ATOM 457 C ARG A 115 -6.532 1.182 3.438 1.00 0.00 C ATOM 458 O ARG A 115 -5.963 2.114 2.872 1.00 0.00 O ATOM 459 CB ARG A 115 -7.214 1.240 5.844 1.00 0.00 C ATOM 460 CG ARG A 115 -6.316 2.356 6.350 1.00 0.00 C ATOM 461 CD ARG A 115 -6.210 2.340 7.868 1.00 0.00 C ATOM 462 NE ARG A 115 -6.815 3.525 8.471 1.00 0.00 N ATOM 463 CZ ARG A 115 -6.230 4.717 8.497 1.00 0.00 C ATOM 464 NH1 ARG A 115 -5.031 4.882 7.954 1.00 0.00 N ATOM 465 NH2 ARG A 115 -6.845 5.747 9.064 1.00 0.00 N ATOM 0 H ARG A 115 -9.116 -0.012 4.900 1.00 0.00 H new ATOM 0 HA ARG A 115 -8.019 2.470 4.275 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -8.085 1.162 6.495 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -6.678 0.294 5.914 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -5.323 2.252 5.914 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -6.709 3.318 6.022 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -6.698 1.446 8.256 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -5.161 2.281 8.158 1.00 0.00 H new ATOM 0 HE ARG A 115 -7.738 3.432 8.896 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -4.557 4.093 7.515 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -4.583 5.798 7.975 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -7.768 5.624 9.480 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -6.395 6.662 9.083 1.00 0.00 H new ATOM 479 N ALA A 116 -6.193 -0.090 3.256 1.00 0.00 N ATOM 480 CA ALA A 116 -5.109 -0.472 2.359 1.00 0.00 C ATOM 481 C ALA A 116 -5.368 0.029 0.942 1.00 0.00 C ATOM 482 O ALA A 116 -4.432 0.277 0.183 1.00 0.00 O ATOM 483 CB ALA A 116 -4.928 -1.982 2.363 1.00 0.00 C ATOM 0 H ALA A 116 -6.654 -0.874 3.718 1.00 0.00 H new ATOM 0 HA ALA A 116 -4.191 -0.007 2.719 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -4.115 -2.253 1.689 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -4.689 -2.317 3.372 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -5.850 -2.460 2.031 1.00 0.00 H new ATOM 489 N GLU A 117 -6.642 0.175 0.594 1.00 0.00 N ATOM 490 CA GLU A 117 -7.022 0.645 -0.732 1.00 0.00 C ATOM 491 C GLU A 117 -6.688 2.124 -0.902 1.00 0.00 C ATOM 492 O GLU A 117 -6.000 2.513 -1.848 1.00 0.00 O ATOM 493 CB GLU A 117 -8.516 0.418 -0.970 1.00 0.00 C ATOM 494 CG GLU A 117 -8.862 0.109 -2.417 1.00 0.00 C ATOM 495 CD GLU A 117 -9.231 1.350 -3.207 1.00 0.00 C ATOM 496 OE1 GLU A 117 -10.069 2.137 -2.716 1.00 0.00 O ATOM 497 OE2 GLU A 117 -8.684 1.535 -4.313 1.00 0.00 O ATOM 0 H GLU A 117 -7.428 -0.025 1.212 1.00 0.00 H new ATOM 0 HA GLU A 117 -6.454 0.075 -1.467 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -8.855 -0.405 -0.341 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -9.064 1.306 -0.656 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -8.013 -0.381 -2.893 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -9.693 -0.596 -2.445 1.00 0.00 H new ATOM 504 N LEU A 118 -7.179 2.945 0.019 1.00 0.00 N ATOM 505 CA LEU A 118 -6.934 4.382 -0.027 1.00 0.00 C ATOM 506 C LEU A 118 -5.439 4.681 0.015 1.00 0.00 C ATOM 507 O LEU A 118 -4.946 5.537 -0.719 1.00 0.00 O ATOM 508 CB LEU A 118 -7.638 5.078 1.139 1.00 0.00 C ATOM 509 CG LEU A 118 -7.788 6.595 1.023 1.00 0.00 C ATOM 510 CD1 LEU A 118 -8.953 6.948 0.111 1.00 0.00 C ATOM 511 CD2 LEU A 118 -7.978 7.218 2.399 1.00 0.00 C ATOM 0 H LEU A 118 -7.750 2.640 0.807 1.00 0.00 H new ATOM 0 HA LEU A 118 -7.336 4.764 -0.965 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -8.631 4.642 1.250 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -7.088 4.856 2.054 1.00 0.00 H new ATOM 0 HG LEU A 118 -6.875 6.999 0.585 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -9.044 8.032 0.040 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -8.777 6.533 -0.882 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -9.874 6.532 0.520 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -8.083 8.298 2.298 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -8.875 6.808 2.863 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -7.112 6.994 3.022 1.00 0.00 H new ATOM 523 N ALA A 119 -4.722 3.968 0.877 1.00 0.00 N ATOM 524 CA ALA A 119 -3.283 4.154 1.011 1.00 0.00 C ATOM 525 C ALA A 119 -2.548 3.668 -0.232 1.00 0.00 C ATOM 526 O ALA A 119 -1.500 4.205 -0.596 1.00 0.00 O ATOM 527 CB ALA A 119 -2.770 3.428 2.247 1.00 0.00 C ATOM 0 H ALA A 119 -5.114 3.256 1.493 1.00 0.00 H new ATOM 0 HA ALA A 119 -3.089 5.221 1.122 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -1.694 3.575 2.335 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -3.264 3.825 3.134 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -2.984 2.363 2.159 1.00 0.00 H new ATOM 533 N LEU A 120 -3.102 2.651 -0.881 1.00 0.00 N ATOM 534 CA LEU A 120 -2.498 2.092 -2.087 1.00 0.00 C ATOM 535 C LEU A 120 -2.471 3.123 -3.210 1.00 0.00 C ATOM 536 O LEU A 120 -1.462 3.282 -3.897 1.00 0.00 O ATOM 537 CB LEU A 120 -3.268 0.849 -2.537 1.00 0.00 C ATOM 538 CG LEU A 120 -2.798 0.205 -3.842 1.00 0.00 C ATOM 539 CD1 LEU A 120 -2.686 -1.303 -3.682 1.00 0.00 C ATOM 540 CD2 LEU A 120 -3.747 0.554 -4.980 1.00 0.00 C ATOM 0 H LEU A 120 -3.968 2.196 -0.593 1.00 0.00 H new ATOM 0 HA LEU A 120 -1.471 1.811 -1.853 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -3.209 0.103 -1.745 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -4.319 1.116 -2.645 1.00 0.00 H new ATOM 0 HG LEU A 120 -1.811 0.598 -4.085 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -2.350 -1.745 -4.620 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -1.968 -1.533 -2.895 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -3.660 -1.714 -3.416 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -3.398 0.088 -5.901 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -4.747 0.189 -4.745 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -3.777 1.636 -5.110 1.00 0.00 H new ATOM 552 N LYS A 121 -3.586 3.823 -3.391 1.00 0.00 N ATOM 553 CA LYS A 121 -3.690 4.841 -4.429 1.00 0.00 C ATOM 554 C LYS A 121 -2.830 6.054 -4.090 1.00 0.00 C ATOM 555 O LYS A 121 -2.257 6.688 -4.975 1.00 0.00 O ATOM 556 CB LYS A 121 -5.148 5.271 -4.606 1.00 0.00 C ATOM 557 CG LYS A 121 -5.550 5.477 -6.057 1.00 0.00 C ATOM 558 CD LYS A 121 -5.480 6.942 -6.452 1.00 0.00 C ATOM 559 CE LYS A 121 -6.867 7.533 -6.653 1.00 0.00 C ATOM 560 NZ LYS A 121 -7.407 7.230 -8.007 1.00 0.00 N ATOM 0 H LYS A 121 -4.431 3.704 -2.832 1.00 0.00 H new ATOM 0 HA LYS A 121 -3.328 4.410 -5.362 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -5.797 4.516 -4.162 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -5.314 6.198 -4.057 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -4.895 4.893 -6.703 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -6.563 5.106 -6.211 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -4.953 7.503 -5.680 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -4.903 7.045 -7.371 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -7.544 7.138 -5.895 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -6.826 8.613 -6.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -8.354 7.650 -8.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -6.775 7.629 -8.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -7.470 6.200 -8.133 1.00 0.00 H new ATOM 574 N ARG A 122 -2.743 6.370 -2.802 1.00 0.00 N ATOM 575 CA ARG A 122 -1.952 7.507 -2.345 1.00 0.00 C ATOM 576 C ARG A 122 -0.469 7.288 -2.634 1.00 0.00 C ATOM 577 O ARG A 122 0.207 8.171 -3.161 1.00 0.00 O ATOM 578 CB ARG A 122 -2.163 7.734 -0.848 1.00 0.00 C ATOM 579 CG ARG A 122 -3.417 8.529 -0.523 1.00 0.00 C ATOM 580 CD ARG A 122 -3.196 10.022 -0.715 1.00 0.00 C ATOM 581 NE ARG A 122 -4.456 10.758 -0.773 1.00 0.00 N ATOM 582 CZ ARG A 122 -4.552 12.066 -0.561 1.00 0.00 C ATOM 583 NH1 ARG A 122 -3.470 12.777 -0.279 1.00 0.00 N ATOM 584 NH2 ARG A 122 -5.734 12.665 -0.632 1.00 0.00 N ATOM 0 H ARG A 122 -3.211 5.855 -2.056 1.00 0.00 H new ATOM 0 HA ARG A 122 -2.284 8.391 -2.889 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -2.216 6.768 -0.347 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -1.297 8.257 -0.443 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -4.236 8.196 -1.161 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -3.716 8.334 0.507 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -2.589 10.407 0.104 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -2.635 10.190 -1.634 1.00 0.00 H new ATOM 0 HE ARG A 122 -5.308 10.240 -0.988 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -2.560 12.320 -0.224 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -3.547 13.781 -0.117 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -6.569 12.121 -0.849 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -5.807 13.669 -0.469 1.00 0.00 H new ATOM 598 N ALA A 123 0.028 6.107 -2.283 1.00 0.00 N ATOM 599 CA ALA A 123 1.429 5.772 -2.506 1.00 0.00 C ATOM 600 C ALA A 123 1.735 5.649 -3.995 1.00 0.00 C ATOM 601 O ALA A 123 2.807 6.043 -4.452 1.00 0.00 O ATOM 602 CB ALA A 123 1.784 4.480 -1.784 1.00 0.00 C ATOM 0 H ALA A 123 -0.518 5.366 -1.843 1.00 0.00 H new ATOM 0 HA ALA A 123 2.038 6.581 -2.103 1.00 0.00 H new ATOM 0 HB1 ALA A 123 2.833 4.242 -1.959 1.00 0.00 H new ATOM 0 HB2 ALA A 123 1.613 4.602 -0.714 1.00 0.00 H new ATOM 0 HB3 ALA A 123 1.160 3.669 -2.161 1.00 0.00 H new ATOM 608 N MET A 124 0.786 5.100 -4.746 1.00 0.00 N ATOM 609 CA MET A 124 0.954 4.926 -6.184 1.00 0.00 C ATOM 610 C MET A 124 1.274 6.256 -6.859 1.00 0.00 C ATOM 611 O MET A 124 2.225 6.358 -7.632 1.00 0.00 O ATOM 612 CB MET A 124 -0.309 4.320 -6.797 1.00 0.00 C ATOM 613 CG MET A 124 -0.100 3.769 -8.198 1.00 0.00 C ATOM 614 SD MET A 124 -1.333 4.366 -9.371 1.00 0.00 S ATOM 615 CE MET A 124 -0.285 5.161 -10.588 1.00 0.00 C ATOM 0 H MET A 124 -0.107 4.768 -4.383 1.00 0.00 H new ATOM 0 HA MET A 124 1.790 4.246 -6.347 1.00 0.00 H new ATOM 0 HB2 MET A 124 -0.669 3.520 -6.151 1.00 0.00 H new ATOM 0 HB3 MET A 124 -1.089 5.080 -6.827 1.00 0.00 H new ATOM 0 HG2 MET A 124 0.894 4.047 -8.549 1.00 0.00 H new ATOM 0 HG3 MET A 124 -0.133 2.680 -8.165 1.00 0.00 H new ATOM 0 HE1 MET A 124 -0.903 5.581 -11.381 1.00 0.00 H new ATOM 0 HE2 MET A 124 0.285 5.958 -10.112 1.00 0.00 H new ATOM 0 HE3 MET A 124 0.401 4.428 -11.012 1.00 0.00 H new ATOM 625 N ASN A 125 0.472 7.273 -6.560 1.00 0.00 N ATOM 626 CA ASN A 125 0.669 8.597 -7.139 1.00 0.00 C ATOM 627 C ASN A 125 2.010 9.185 -6.709 1.00 0.00 C ATOM 628 O ASN A 125 2.765 9.703 -7.531 1.00 0.00 O ATOM 629 CB ASN A 125 -0.468 9.533 -6.724 1.00 0.00 C ATOM 630 CG ASN A 125 -1.059 10.283 -7.902 1.00 0.00 C ATOM 631 OD1 ASN A 125 -0.340 10.927 -8.667 1.00 0.00 O ATOM 632 ND2 ASN A 125 -2.376 10.202 -8.054 1.00 0.00 N ATOM 0 H ASN A 125 -0.320 7.206 -5.921 1.00 0.00 H new ATOM 0 HA ASN A 125 0.668 8.495 -8.224 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -1.252 8.954 -6.235 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -0.096 10.249 -5.991 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -2.831 10.685 -8.829 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -2.933 9.657 -7.396 1.00 0.00 H new ATOM 639 N ARG A 126 2.298 9.100 -5.414 1.00 0.00 N ATOM 640 CA ARG A 126 3.547 9.624 -4.873 1.00 0.00 C ATOM 641 C ARG A 126 4.748 9.015 -5.592 1.00 0.00 C ATOM 642 O ARG A 126 5.698 9.718 -5.941 1.00 0.00 O ATOM 643 CB ARG A 126 3.638 9.338 -3.373 1.00 0.00 C ATOM 644 CG ARG A 126 3.249 10.521 -2.504 1.00 0.00 C ATOM 645 CD ARG A 126 3.124 10.121 -1.042 1.00 0.00 C ATOM 646 NE ARG A 126 2.250 11.026 -0.299 1.00 0.00 N ATOM 647 CZ ARG A 126 1.828 10.789 0.937 1.00 0.00 C ATOM 648 NH1 ARG A 126 2.196 9.681 1.567 1.00 0.00 N ATOM 649 NH2 ARG A 126 1.035 11.660 1.547 1.00 0.00 N ATOM 0 H ARG A 126 1.684 8.674 -4.720 1.00 0.00 H new ATOM 0 HA ARG A 126 3.559 10.702 -5.031 1.00 0.00 H new ATOM 0 HB2 ARG A 126 2.992 8.493 -3.133 1.00 0.00 H new ATOM 0 HB3 ARG A 126 4.658 9.039 -3.130 1.00 0.00 H new ATOM 0 HG2 ARG A 126 3.996 11.309 -2.604 1.00 0.00 H new ATOM 0 HG3 ARG A 126 2.302 10.934 -2.852 1.00 0.00 H new ATOM 0 HD2 ARG A 126 2.734 9.105 -0.976 1.00 0.00 H new ATOM 0 HD3 ARG A 126 4.112 10.113 -0.583 1.00 0.00 H new ATOM 0 HE ARG A 126 1.948 11.887 -0.755 1.00 0.00 H new ATOM 0 HH11 ARG A 126 2.805 9.008 1.102 1.00 0.00 H new ATOM 0 HH12 ARG A 126 1.870 9.502 2.517 1.00 0.00 H new ATOM 0 HH21 ARG A 126 0.749 12.513 1.066 1.00 0.00 H new ATOM 0 HH22 ARG A 126 0.711 11.477 2.497 1.00 0.00 H new ATOM 663 N LEU A 127 4.699 7.706 -5.810 1.00 0.00 N ATOM 664 CA LEU A 127 5.783 7.002 -6.486 1.00 0.00 C ATOM 665 C LEU A 127 5.819 7.355 -7.970 1.00 0.00 C ATOM 666 O LEU A 127 6.877 7.331 -8.598 1.00 0.00 O ATOM 667 CB LEU A 127 5.622 5.490 -6.314 1.00 0.00 C ATOM 668 CG LEU A 127 6.819 4.635 -6.731 1.00 0.00 C ATOM 669 CD1 LEU A 127 7.505 4.045 -5.508 1.00 0.00 C ATOM 670 CD2 LEU A 127 6.381 3.533 -7.684 1.00 0.00 C ATOM 0 H LEU A 127 3.920 7.110 -5.529 1.00 0.00 H new ATOM 0 HA LEU A 127 6.724 7.315 -6.033 1.00 0.00 H new ATOM 0 HB2 LEU A 127 5.402 5.285 -5.266 1.00 0.00 H new ATOM 0 HB3 LEU A 127 4.754 5.170 -6.890 1.00 0.00 H new ATOM 0 HG LEU A 127 7.534 5.273 -7.250 1.00 0.00 H new ATOM 0 HD11 LEU A 127 8.355 3.440 -5.824 1.00 0.00 H new ATOM 0 HD12 LEU A 127 7.854 4.851 -4.862 1.00 0.00 H new ATOM 0 HD13 LEU A 127 6.799 3.421 -4.960 1.00 0.00 H new ATOM 0 HD21 LEU A 127 7.246 2.935 -7.970 1.00 0.00 H new ATOM 0 HD22 LEU A 127 5.646 2.896 -7.191 1.00 0.00 H new ATOM 0 HD23 LEU A 127 5.937 3.977 -8.575 1.00 0.00 H new ATOM 682 N SER A 128 4.656 7.683 -8.524 1.00 0.00 N ATOM 683 CA SER A 128 4.554 8.040 -9.934 1.00 0.00 C ATOM 684 C SER A 128 5.318 9.328 -10.224 1.00 0.00 C ATOM 685 O SER A 128 6.155 9.378 -11.126 1.00 0.00 O ATOM 686 CB SER A 128 3.087 8.201 -10.336 1.00 0.00 C ATOM 687 OG SER A 128 2.822 7.552 -11.567 1.00 0.00 O ATOM 0 H SER A 128 3.771 7.709 -8.018 1.00 0.00 H new ATOM 0 HA SER A 128 4.997 7.235 -10.521 1.00 0.00 H new ATOM 0 HB2 SER A 128 2.446 7.787 -9.558 1.00 0.00 H new ATOM 0 HB3 SER A 128 2.844 9.260 -10.420 1.00 0.00 H new ATOM 0 HG SER A 128 1.878 7.668 -11.801 1.00 0.00 H new ATOM 693 N VAL A 129 5.023 10.371 -9.454 1.00 0.00 N ATOM 694 CA VAL A 129 5.682 11.660 -9.626 1.00 0.00 C ATOM 695 C VAL A 129 7.170 11.563 -9.313 1.00 0.00 C ATOM 696 O VAL A 129 7.992 12.229 -9.941 1.00 0.00 O ATOM 697 CB VAL A 129 5.048 12.739 -8.729 1.00 0.00 C ATOM 698 CG1 VAL A 129 5.681 14.096 -8.996 1.00 0.00 C ATOM 699 CG2 VAL A 129 3.542 12.792 -8.942 1.00 0.00 C ATOM 0 H VAL A 129 4.331 10.348 -8.705 1.00 0.00 H new ATOM 0 HA VAL A 129 5.552 11.945 -10.670 1.00 0.00 H new ATOM 0 HB VAL A 129 5.235 12.477 -7.688 1.00 0.00 H new ATOM 0 HG11 VAL A 129 5.220 14.845 -8.353 1.00 0.00 H new ATOM 0 HG12 VAL A 129 6.750 14.046 -8.787 1.00 0.00 H new ATOM 0 HG13 VAL A 129 5.528 14.370 -10.040 1.00 0.00 H new ATOM 0 HG21 VAL A 129 3.111 13.560 -8.300 1.00 0.00 H new ATOM 0 HG22 VAL A 129 3.330 13.029 -9.985 1.00 0.00 H new ATOM 0 HG23 VAL A 129 3.105 11.825 -8.694 1.00 0.00 H new ATOM 709 N ALA A 130 7.510 10.729 -8.335 1.00 0.00 N ATOM 710 CA ALA A 130 8.900 10.543 -7.939 1.00 0.00 C ATOM 711 C ALA A 130 9.751 10.085 -9.119 1.00 0.00 C ATOM 712 O ALA A 130 10.760 10.709 -9.446 1.00 0.00 O ATOM 713 CB ALA A 130 8.994 9.540 -6.798 1.00 0.00 C ATOM 0 H ALA A 130 6.842 10.172 -7.803 1.00 0.00 H new ATOM 0 HA ALA A 130 9.286 11.503 -7.597 1.00 0.00 H new ATOM 0 HB1 ALA A 130 10.038 9.411 -6.512 1.00 0.00 H new ATOM 0 HB2 ALA A 130 8.427 9.907 -5.943 1.00 0.00 H new ATOM 0 HB3 ALA A 130 8.585 8.583 -7.121 1.00 0.00 H new ATOM 719 N GLU A 131 9.337 8.993 -9.753 1.00 0.00 N ATOM 720 CA GLU A 131 10.063 8.452 -10.896 1.00 0.00 C ATOM 721 C GLU A 131 10.317 9.535 -11.942 1.00 0.00 C ATOM 722 O GLU A 131 11.463 9.866 -12.242 1.00 0.00 O ATOM 723 CB GLU A 131 9.283 7.295 -11.524 1.00 0.00 C ATOM 724 CG GLU A 131 10.121 6.427 -12.448 1.00 0.00 C ATOM 725 CD GLU A 131 10.515 5.109 -11.810 1.00 0.00 C ATOM 726 OE1 GLU A 131 9.691 4.171 -11.827 1.00 0.00 O ATOM 727 OE2 GLU A 131 11.649 5.015 -11.296 1.00 0.00 O ATOM 0 H GLU A 131 8.503 8.466 -9.495 1.00 0.00 H new ATOM 0 HA GLU A 131 11.024 8.082 -10.540 1.00 0.00 H new ATOM 0 HB2 GLU A 131 8.870 6.673 -10.730 1.00 0.00 H new ATOM 0 HB3 GLU A 131 8.439 7.698 -12.084 1.00 0.00 H new ATOM 0 HG2 GLU A 131 9.562 6.231 -13.363 1.00 0.00 H new ATOM 0 HG3 GLU A 131 11.021 6.971 -12.735 1.00 0.00 H new ATOM 734 N MET A 132 9.238 10.082 -12.492 1.00 0.00 N ATOM 735 CA MET A 132 9.342 11.128 -13.503 1.00 0.00 C ATOM 736 C MET A 132 9.307 12.511 -12.861 1.00 0.00 C ATOM 737 O MET A 132 8.650 13.423 -13.362 1.00 0.00 O ATOM 738 CB MET A 132 8.209 10.997 -14.522 1.00 0.00 C ATOM 739 CG MET A 132 8.400 9.848 -15.500 1.00 0.00 C ATOM 740 SD MET A 132 7.135 9.812 -16.784 1.00 0.00 S ATOM 741 CE MET A 132 5.704 9.303 -15.836 1.00 0.00 C ATOM 0 H MET A 132 8.282 9.818 -12.255 1.00 0.00 H new ATOM 0 HA MET A 132 10.297 11.009 -14.015 1.00 0.00 H new ATOM 0 HB2 MET A 132 7.268 10.858 -13.990 1.00 0.00 H new ATOM 0 HB3 MET A 132 8.125 11.929 -15.081 1.00 0.00 H new ATOM 0 HG2 MET A 132 9.382 9.931 -15.965 1.00 0.00 H new ATOM 0 HG3 MET A 132 8.385 8.905 -14.954 1.00 0.00 H new ATOM 0 HE1 MET A 132 4.885 9.063 -16.514 1.00 0.00 H new ATOM 0 HE2 MET A 132 5.954 8.423 -15.244 1.00 0.00 H new ATOM 0 HE3 MET A 132 5.401 10.113 -15.172 1.00 0.00 H new ATOM 751 N LYS A 133 10.018 12.659 -11.748 1.00 0.00 N ATOM 752 CA LYS A 133 10.069 13.931 -11.036 1.00 0.00 C ATOM 753 C LYS A 133 10.754 15.000 -11.882 1.00 0.00 C ATOM 754 O LYS A 133 11.462 14.689 -12.840 1.00 0.00 O ATOM 755 CB LYS A 133 10.809 13.766 -9.707 1.00 0.00 C ATOM 756 CG LYS A 133 10.889 15.046 -8.893 1.00 0.00 C ATOM 757 CD LYS A 133 12.246 15.713 -9.034 1.00 0.00 C ATOM 758 CE LYS A 133 12.255 17.098 -8.405 1.00 0.00 C ATOM 759 NZ LYS A 133 12.271 17.032 -6.917 1.00 0.00 N ATOM 0 H LYS A 133 10.567 11.914 -11.319 1.00 0.00 H new ATOM 0 HA LYS A 133 9.046 14.249 -10.838 1.00 0.00 H new ATOM 0 HB2 LYS A 133 10.309 12.999 -9.115 1.00 0.00 H new ATOM 0 HB3 LYS A 133 11.819 13.407 -9.905 1.00 0.00 H new ATOM 0 HG2 LYS A 133 10.109 15.734 -9.218 1.00 0.00 H new ATOM 0 HG3 LYS A 133 10.700 14.823 -7.843 1.00 0.00 H new ATOM 0 HD2 LYS A 133 13.008 15.093 -8.562 1.00 0.00 H new ATOM 0 HD3 LYS A 133 12.507 15.790 -10.090 1.00 0.00 H new ATOM 0 HE2 LYS A 133 13.128 17.649 -8.753 1.00 0.00 H new ATOM 0 HE3 LYS A 133 11.376 17.652 -8.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 12.277 17.996 -6.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 11.425 16.528 -6.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 13.123 16.526 -6.601 1.00 0.00 H new TER 773 LYS A 133