USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 387 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= -0.108 X(o=-0.11,f=-0.54) USER MOD Single : A 106 SER OG : rot -169:sc= 1.11 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 GLN : amide:sc= -0.0446 K(o=-0.045,f=-1) 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= -0.0671 K(o=-0.067,f=-1.9!) 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 20 N ASP A 89 11.590 8.434 0.396 1.00 0.00 N ATOM 21 CA ASP A 89 12.485 7.285 0.470 1.00 0.00 C ATOM 22 C ASP A 89 11.820 6.040 -0.109 1.00 0.00 C ATOM 23 O ASP A 89 10.896 5.483 0.486 1.00 0.00 O ATOM 24 CB ASP A 89 12.901 7.029 1.918 1.00 0.00 C ATOM 25 CG ASP A 89 14.406 6.934 2.081 1.00 0.00 C ATOM 26 OD1 ASP A 89 15.121 7.749 1.461 1.00 0.00 O ATOM 27 OD2 ASP A 89 14.868 6.044 2.826 1.00 0.00 O ATOM 0 HA ASP A 89 13.373 7.509 -0.121 1.00 0.00 H new ATOM 0 HB2 ASP A 89 12.520 7.832 2.550 1.00 0.00 H new ATOM 0 HB3 ASP A 89 12.442 6.104 2.267 1.00 0.00 H new ATOM 32 N VAL A 90 12.295 5.608 -1.273 1.00 0.00 N ATOM 33 CA VAL A 90 11.747 4.429 -1.932 1.00 0.00 C ATOM 34 C VAL A 90 11.721 3.233 -0.987 1.00 0.00 C ATOM 35 O VAL A 90 10.847 2.370 -1.084 1.00 0.00 O ATOM 36 CB VAL A 90 12.559 4.059 -3.187 1.00 0.00 C ATOM 37 CG1 VAL A 90 13.966 3.628 -2.805 1.00 0.00 C ATOM 38 CG2 VAL A 90 11.853 2.967 -3.977 1.00 0.00 C ATOM 0 H VAL A 90 13.058 6.057 -1.779 1.00 0.00 H new ATOM 0 HA VAL A 90 10.728 4.677 -2.228 1.00 0.00 H new ATOM 0 HB VAL A 90 12.635 4.942 -3.822 1.00 0.00 H new ATOM 0 HG11 VAL A 90 14.525 3.370 -3.705 1.00 0.00 H new ATOM 0 HG12 VAL A 90 14.469 4.445 -2.287 1.00 0.00 H new ATOM 0 HG13 VAL A 90 13.915 2.759 -2.149 1.00 0.00 H new ATOM 0 HG21 VAL A 90 12.441 2.719 -4.860 1.00 0.00 H new ATOM 0 HG22 VAL A 90 11.743 2.080 -3.353 1.00 0.00 H new ATOM 0 HG23 VAL A 90 10.868 3.319 -4.284 1.00 0.00 H new ATOM 48 N LEU A 91 12.684 3.187 -0.073 1.00 0.00 N ATOM 49 CA LEU A 91 12.772 2.096 0.891 1.00 0.00 C ATOM 50 C LEU A 91 11.494 1.996 1.718 1.00 0.00 C ATOM 51 O LEU A 91 10.897 0.925 1.827 1.00 0.00 O ATOM 52 CB LEU A 91 13.975 2.301 1.813 1.00 0.00 C ATOM 53 CG LEU A 91 15.251 1.551 1.429 1.00 0.00 C ATOM 54 CD1 LEU A 91 16.226 2.482 0.725 1.00 0.00 C ATOM 55 CD2 LEU A 91 15.896 0.930 2.659 1.00 0.00 C ATOM 0 H LEU A 91 13.415 3.892 0.021 1.00 0.00 H new ATOM 0 HA LEU A 91 12.899 1.165 0.339 1.00 0.00 H new ATOM 0 HB2 LEU A 91 14.201 3.367 1.850 1.00 0.00 H new ATOM 0 HB3 LEU A 91 13.690 2.000 2.821 1.00 0.00 H new ATOM 0 HG LEU A 91 14.985 0.749 0.740 1.00 0.00 H new ATOM 0 HD11 LEU A 91 17.128 1.931 0.459 1.00 0.00 H new ATOM 0 HD12 LEU A 91 15.763 2.878 -0.179 1.00 0.00 H new ATOM 0 HD13 LEU A 91 16.487 3.306 1.389 1.00 0.00 H new ATOM 0 HD21 LEU A 91 16.803 0.400 2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 91 16.148 1.714 3.373 1.00 0.00 H new ATOM 0 HD23 LEU A 91 15.200 0.230 3.121 1.00 0.00 H new ATOM 67 N ARG A 92 11.080 3.119 2.296 1.00 0.00 N ATOM 68 CA ARG A 92 9.872 3.158 3.111 1.00 0.00 C ATOM 69 C ARG A 92 8.641 2.816 2.277 1.00 0.00 C ATOM 70 O ARG A 92 7.824 1.985 2.672 1.00 0.00 O ATOM 71 CB ARG A 92 9.704 4.540 3.745 1.00 0.00 C ATOM 72 CG ARG A 92 10.730 4.844 4.824 1.00 0.00 C ATOM 73 CD ARG A 92 10.573 6.259 5.360 1.00 0.00 C ATOM 74 NE ARG A 92 10.084 6.272 6.736 1.00 0.00 N ATOM 75 CZ ARG A 92 10.828 5.935 7.784 1.00 0.00 C ATOM 76 NH1 ARG A 92 12.089 5.562 7.613 1.00 0.00 N ATOM 77 NH2 ARG A 92 10.311 5.973 9.005 1.00 0.00 N ATOM 0 H ARG A 92 11.563 4.014 2.215 1.00 0.00 H new ATOM 0 HA ARG A 92 9.972 2.413 3.900 1.00 0.00 H new ATOM 0 HB2 ARG A 92 9.773 5.299 2.966 1.00 0.00 H new ATOM 0 HB3 ARG A 92 8.705 4.614 4.174 1.00 0.00 H new ATOM 0 HG2 ARG A 92 10.623 4.130 5.641 1.00 0.00 H new ATOM 0 HG3 ARG A 92 11.734 4.716 4.419 1.00 0.00 H new ATOM 0 HD2 ARG A 92 11.533 6.774 5.312 1.00 0.00 H new ATOM 0 HD3 ARG A 92 9.882 6.813 4.724 1.00 0.00 H new ATOM 0 HE ARG A 92 9.118 6.555 6.902 1.00 0.00 H new ATOM 0 HH11 ARG A 92 12.490 5.533 6.675 1.00 0.00 H new ATOM 0 HH12 ARG A 92 12.658 5.304 8.419 1.00 0.00 H new ATOM 0 HH21 ARG A 92 9.342 6.261 9.140 1.00 0.00 H new ATOM 0 HH22 ARG A 92 10.883 5.714 9.809 1.00 0.00 H new ATOM 91 N ALA A 93 8.517 3.462 1.123 1.00 0.00 N ATOM 92 CA ALA A 93 7.387 3.225 0.233 1.00 0.00 C ATOM 93 C ALA A 93 7.243 1.742 -0.087 1.00 0.00 C ATOM 94 O ALA A 93 6.132 1.215 -0.153 1.00 0.00 O ATOM 95 CB ALA A 93 7.546 4.032 -1.047 1.00 0.00 C ATOM 0 H ALA A 93 9.185 4.154 0.782 1.00 0.00 H new ATOM 0 HA ALA A 93 6.479 3.549 0.742 1.00 0.00 H new ATOM 0 HB1 ALA A 93 6.695 3.846 -1.703 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.592 5.094 -0.804 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.465 3.736 -1.552 1.00 0.00 H new ATOM 101 N LYS A 94 8.373 1.072 -0.288 1.00 0.00 N ATOM 102 CA LYS A 94 8.373 -0.352 -0.602 1.00 0.00 C ATOM 103 C LYS A 94 7.948 -1.176 0.607 1.00 0.00 C ATOM 104 O LYS A 94 7.131 -2.089 0.492 1.00 0.00 O ATOM 105 CB LYS A 94 9.763 -0.791 -1.069 1.00 0.00 C ATOM 106 CG LYS A 94 9.732 -1.796 -2.208 1.00 0.00 C ATOM 107 CD LYS A 94 10.377 -3.113 -1.808 1.00 0.00 C ATOM 108 CE LYS A 94 11.889 -2.984 -1.706 1.00 0.00 C ATOM 109 NZ LYS A 94 12.540 -4.296 -1.435 1.00 0.00 N ATOM 0 H LYS A 94 9.301 1.493 -0.239 1.00 0.00 H new ATOM 0 HA LYS A 94 7.655 -0.522 -1.405 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.325 0.088 -1.386 1.00 0.00 H new ATOM 0 HB3 LYS A 94 10.300 -1.226 -0.226 1.00 0.00 H new ATOM 0 HG2 LYS A 94 8.700 -1.973 -2.511 1.00 0.00 H new ATOM 0 HG3 LYS A 94 10.252 -1.383 -3.073 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.973 -3.441 -0.850 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.125 -3.880 -2.540 1.00 0.00 H new ATOM 0 HE2 LYS A 94 12.282 -2.568 -2.634 1.00 0.00 H new ATOM 0 HE3 LYS A 94 12.141 -2.282 -0.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 13.570 -4.166 -1.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 12.184 -4.681 -0.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 12.321 -4.958 -2.206 1.00 0.00 H new ATOM 123 N ALA A 95 8.506 -0.847 1.767 1.00 0.00 N ATOM 124 CA ALA A 95 8.182 -1.555 3.000 1.00 0.00 C ATOM 125 C ALA A 95 6.682 -1.524 3.272 1.00 0.00 C ATOM 126 O ALA A 95 6.104 -2.509 3.731 1.00 0.00 O ATOM 127 CB ALA A 95 8.945 -0.954 4.170 1.00 0.00 C ATOM 0 H ALA A 95 9.185 -0.094 1.879 1.00 0.00 H new ATOM 0 HA ALA A 95 8.482 -2.596 2.882 1.00 0.00 H new ATOM 0 HB1 ALA A 95 8.693 -1.492 5.084 1.00 0.00 H new ATOM 0 HB2 ALA A 95 10.016 -1.034 3.985 1.00 0.00 H new ATOM 0 HB3 ALA A 95 8.673 0.096 4.281 1.00 0.00 H new ATOM 133 N ALA A 96 6.057 -0.387 2.986 1.00 0.00 N ATOM 134 CA ALA A 96 4.623 -0.228 3.199 1.00 0.00 C ATOM 135 C ALA A 96 3.825 -1.037 2.183 1.00 0.00 C ATOM 136 O ALA A 96 2.849 -1.702 2.531 1.00 0.00 O ATOM 137 CB ALA A 96 4.238 1.242 3.126 1.00 0.00 C ATOM 0 H ALA A 96 6.521 0.438 2.606 1.00 0.00 H new ATOM 0 HA ALA A 96 4.384 -0.605 4.193 1.00 0.00 H new ATOM 0 HB1 ALA A 96 3.165 1.345 3.287 1.00 0.00 H new ATOM 0 HB2 ALA A 96 4.775 1.797 3.895 1.00 0.00 H new ATOM 0 HB3 ALA A 96 4.498 1.638 2.144 1.00 0.00 H new ATOM 143 N LYS A 97 4.244 -0.975 0.923 1.00 0.00 N ATOM 144 CA LYS A 97 3.569 -1.702 -0.144 1.00 0.00 C ATOM 145 C LYS A 97 3.563 -3.201 0.137 1.00 0.00 C ATOM 146 O LYS A 97 2.581 -3.889 -0.140 1.00 0.00 O ATOM 147 CB LYS A 97 4.250 -1.426 -1.487 1.00 0.00 C ATOM 148 CG LYS A 97 3.324 -0.819 -2.526 1.00 0.00 C ATOM 149 CD LYS A 97 4.102 -0.238 -3.695 1.00 0.00 C ATOM 150 CE LYS A 97 4.164 -1.212 -4.862 1.00 0.00 C ATOM 151 NZ LYS A 97 5.568 -1.519 -5.254 1.00 0.00 N ATOM 0 H LYS A 97 5.049 -0.428 0.617 1.00 0.00 H new ATOM 0 HA LYS A 97 2.537 -1.355 -0.189 1.00 0.00 H new ATOM 0 HB2 LYS A 97 5.092 -0.753 -1.326 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.657 -2.359 -1.877 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.634 -1.581 -2.889 1.00 0.00 H new ATOM 0 HG3 LYS A 97 2.721 -0.037 -2.065 1.00 0.00 H new ATOM 0 HD2 LYS A 97 3.633 0.691 -4.020 1.00 0.00 H new ATOM 0 HD3 LYS A 97 5.113 0.011 -3.373 1.00 0.00 H new ATOM 0 HE2 LYS A 97 3.652 -2.136 -4.592 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.632 -0.791 -5.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 5.568 -2.186 -6.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 6.049 -0.641 -5.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 6.068 -1.944 -4.448 1.00 0.00 H new ATOM 165 N GLU A 98 4.665 -3.699 0.688 1.00 0.00 N ATOM 166 CA GLU A 98 4.784 -5.117 1.007 1.00 0.00 C ATOM 167 C GLU A 98 3.928 -5.477 2.218 1.00 0.00 C ATOM 168 O GLU A 98 3.327 -6.550 2.270 1.00 0.00 O ATOM 169 CB GLU A 98 6.246 -5.481 1.275 1.00 0.00 C ATOM 170 CG GLU A 98 6.735 -6.673 0.470 1.00 0.00 C ATOM 171 CD GLU A 98 7.341 -7.756 1.342 1.00 0.00 C ATOM 172 OE1 GLU A 98 6.631 -8.272 2.229 1.00 0.00 O ATOM 173 OE2 GLU A 98 8.528 -8.087 1.135 1.00 0.00 O ATOM 0 H GLU A 98 5.487 -3.143 0.923 1.00 0.00 H new ATOM 0 HA GLU A 98 4.426 -5.687 0.150 1.00 0.00 H new ATOM 0 HB2 GLU A 98 6.873 -4.619 1.049 1.00 0.00 H new ATOM 0 HB3 GLU A 98 6.369 -5.695 2.337 1.00 0.00 H new ATOM 0 HG2 GLU A 98 5.902 -7.091 -0.096 1.00 0.00 H new ATOM 0 HG3 GLU A 98 7.477 -6.338 -0.255 1.00 0.00 H new ATOM 180 N ARG A 99 3.880 -4.572 3.190 1.00 0.00 N ATOM 181 CA ARG A 99 3.100 -4.794 4.402 1.00 0.00 C ATOM 182 C ARG A 99 1.606 -4.798 4.094 1.00 0.00 C ATOM 183 O ARG A 99 0.860 -5.638 4.596 1.00 0.00 O ATOM 184 CB ARG A 99 3.415 -3.716 5.440 1.00 0.00 C ATOM 185 CG ARG A 99 3.541 -4.254 6.857 1.00 0.00 C ATOM 186 CD ARG A 99 2.308 -3.933 7.687 1.00 0.00 C ATOM 187 NE ARG A 99 2.108 -2.494 7.837 1.00 0.00 N ATOM 188 CZ ARG A 99 2.867 -1.723 8.607 1.00 0.00 C ATOM 189 NH1 ARG A 99 3.871 -2.251 9.294 1.00 0.00 N ATOM 190 NH2 ARG A 99 2.623 -0.422 8.693 1.00 0.00 N ATOM 0 H ARG A 99 4.372 -3.679 3.162 1.00 0.00 H new ATOM 0 HA ARG A 99 3.372 -5.769 4.806 1.00 0.00 H new ATOM 0 HB2 ARG A 99 4.345 -3.219 5.165 1.00 0.00 H new ATOM 0 HB3 ARG A 99 2.630 -2.960 5.416 1.00 0.00 H new ATOM 0 HG2 ARG A 99 3.689 -5.333 6.826 1.00 0.00 H new ATOM 0 HG3 ARG A 99 4.423 -3.825 7.333 1.00 0.00 H new ATOM 0 HD2 ARG A 99 1.429 -4.374 7.216 1.00 0.00 H new ATOM 0 HD3 ARG A 99 2.405 -4.390 8.672 1.00 0.00 H new ATOM 0 HE ARG A 99 1.343 -2.057 7.322 1.00 0.00 H new ATOM 0 HH11 ARG A 99 4.061 -3.251 9.232 1.00 0.00 H new ATOM 0 HH12 ARG A 99 4.453 -1.657 9.885 1.00 0.00 H new ATOM 0 HH21 ARG A 99 1.851 -0.012 8.167 1.00 0.00 H new ATOM 0 HH22 ARG A 99 3.207 0.168 9.285 1.00 0.00 H new ATOM 204 N ALA A 100 1.176 -3.853 3.264 1.00 0.00 N ATOM 205 CA ALA A 100 -0.229 -3.748 2.887 1.00 0.00 C ATOM 206 C ALA A 100 -0.651 -4.921 2.010 1.00 0.00 C ATOM 207 O ALA A 100 -1.769 -5.421 2.123 1.00 0.00 O ATOM 208 CB ALA A 100 -0.486 -2.431 2.170 1.00 0.00 C ATOM 0 H ALA A 100 1.780 -3.149 2.840 1.00 0.00 H new ATOM 0 HA ALA A 100 -0.827 -3.776 3.798 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -1.539 -2.366 1.894 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -0.232 -1.602 2.830 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.128 -2.380 1.271 1.00 0.00 H new ATOM 214 N GLU A 101 0.252 -5.355 1.135 1.00 0.00 N ATOM 215 CA GLU A 101 -0.030 -6.470 0.238 1.00 0.00 C ATOM 216 C GLU A 101 -0.305 -7.747 1.027 1.00 0.00 C ATOM 217 O GLU A 101 -1.226 -8.499 0.708 1.00 0.00 O ATOM 218 CB GLU A 101 1.143 -6.691 -0.719 1.00 0.00 C ATOM 219 CG GLU A 101 1.024 -5.912 -2.017 1.00 0.00 C ATOM 220 CD GLU A 101 -0.107 -6.411 -2.896 1.00 0.00 C ATOM 221 OE1 GLU A 101 0.132 -7.337 -3.700 1.00 0.00 O ATOM 222 OE2 GLU A 101 -1.230 -5.878 -2.779 1.00 0.00 O ATOM 0 H GLU A 101 1.183 -4.952 1.029 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.920 -6.223 -0.340 1.00 0.00 H new ATOM 0 HB2 GLU A 101 2.068 -6.407 -0.218 1.00 0.00 H new ATOM 0 HB3 GLU A 101 1.218 -7.754 -0.949 1.00 0.00 H new ATOM 0 HG2 GLU A 101 0.865 -4.858 -1.790 1.00 0.00 H new ATOM 0 HG3 GLU A 101 1.963 -5.982 -2.566 1.00 0.00 H new ATOM 229 N ARG A 102 0.502 -7.986 2.055 1.00 0.00 N ATOM 230 CA ARG A 102 0.347 -9.172 2.888 1.00 0.00 C ATOM 231 C ARG A 102 -0.954 -9.112 3.684 1.00 0.00 C ATOM 232 O ARG A 102 -1.653 -10.115 3.825 1.00 0.00 O ATOM 233 CB ARG A 102 1.535 -9.311 3.842 1.00 0.00 C ATOM 234 CG ARG A 102 1.799 -10.741 4.282 1.00 0.00 C ATOM 235 CD ARG A 102 2.819 -11.422 3.384 1.00 0.00 C ATOM 236 NE ARG A 102 3.415 -12.593 4.020 1.00 0.00 N ATOM 237 CZ ARG A 102 2.781 -13.750 4.173 1.00 0.00 C ATOM 238 NH1 ARG A 102 1.538 -13.891 3.735 1.00 0.00 N ATOM 239 NH2 ARG A 102 3.391 -14.770 4.764 1.00 0.00 N ATOM 0 H ARG A 102 1.270 -7.374 2.331 1.00 0.00 H new ATOM 0 HA ARG A 102 0.312 -10.042 2.233 1.00 0.00 H new ATOM 0 HB2 ARG A 102 2.428 -8.919 3.356 1.00 0.00 H new ATOM 0 HB3 ARG A 102 1.356 -8.696 4.724 1.00 0.00 H new ATOM 0 HG2 ARG A 102 2.159 -10.745 5.311 1.00 0.00 H new ATOM 0 HG3 ARG A 102 0.866 -11.305 4.268 1.00 0.00 H new ATOM 0 HD2 ARG A 102 2.339 -11.721 2.452 1.00 0.00 H new ATOM 0 HD3 ARG A 102 3.604 -10.712 3.124 1.00 0.00 H new ATOM 0 HE ARG A 102 4.372 -12.519 4.366 1.00 0.00 H new ATOM 0 HH11 ARG A 102 1.066 -13.110 3.279 1.00 0.00 H new ATOM 0 HH12 ARG A 102 1.053 -14.781 3.854 1.00 0.00 H new ATOM 0 HH21 ARG A 102 4.348 -14.666 5.101 1.00 0.00 H new ATOM 0 HH22 ARG A 102 2.903 -15.658 4.881 1.00 0.00 H new ATOM 253 N ARG A 103 -1.270 -7.930 4.201 1.00 0.00 N ATOM 254 CA ARG A 103 -2.485 -7.739 4.984 1.00 0.00 C ATOM 255 C ARG A 103 -3.726 -7.948 4.122 1.00 0.00 C ATOM 256 O ARG A 103 -4.724 -8.510 4.575 1.00 0.00 O ATOM 257 CB ARG A 103 -2.507 -6.338 5.599 1.00 0.00 C ATOM 258 CG ARG A 103 -1.933 -6.280 7.004 1.00 0.00 C ATOM 259 CD ARG A 103 -3.025 -6.384 8.058 1.00 0.00 C ATOM 260 NE ARG A 103 -3.483 -5.070 8.501 1.00 0.00 N ATOM 261 CZ ARG A 103 -2.748 -4.245 9.238 1.00 0.00 C ATOM 262 NH1 ARG A 103 -1.525 -4.596 9.611 1.00 0.00 N ATOM 263 NH2 ARG A 103 -3.234 -3.066 9.602 1.00 0.00 N ATOM 0 H ARG A 103 -0.702 -7.090 4.092 1.00 0.00 H new ATOM 0 HA ARG A 103 -2.491 -8.479 5.784 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -1.944 -5.660 4.958 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -3.535 -5.976 5.621 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.217 -7.091 7.139 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -1.386 -5.346 7.136 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -3.868 -6.944 7.653 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -2.651 -6.945 8.914 1.00 0.00 H new ATOM 0 HE ARG A 103 -4.419 -4.769 8.229 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -1.147 -5.501 9.332 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -0.962 -3.961 10.177 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -4.174 -2.791 9.316 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -2.668 -2.434 10.168 1.00 0.00 H new ATOM 277 N LEU A 104 -3.658 -7.491 2.876 1.00 0.00 N ATOM 278 CA LEU A 104 -4.776 -7.627 1.949 1.00 0.00 C ATOM 279 C LEU A 104 -5.234 -9.079 1.856 1.00 0.00 C ATOM 280 O LEU A 104 -6.424 -9.356 1.716 1.00 0.00 O ATOM 281 CB LEU A 104 -4.379 -7.117 0.563 1.00 0.00 C ATOM 282 CG LEU A 104 -5.532 -6.750 -0.372 1.00 0.00 C ATOM 283 CD1 LEU A 104 -5.145 -5.579 -1.262 1.00 0.00 C ATOM 284 CD2 LEU A 104 -5.939 -7.950 -1.214 1.00 0.00 C ATOM 0 H LEU A 104 -2.840 -7.023 2.485 1.00 0.00 H new ATOM 0 HA LEU A 104 -5.604 -7.028 2.328 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.746 -6.239 0.689 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -3.772 -7.881 0.077 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.386 -6.452 0.236 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.978 -5.332 -1.921 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -4.904 -4.715 -0.642 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.276 -5.849 -1.862 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.761 -7.670 -1.873 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.090 -8.279 -1.813 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.259 -8.762 -0.560 1.00 0.00 H new ATOM 296 N GLN A 105 -4.280 -10.001 1.940 1.00 0.00 N ATOM 297 CA GLN A 105 -4.587 -11.425 1.867 1.00 0.00 C ATOM 298 C GLN A 105 -5.560 -11.829 2.970 1.00 0.00 C ATOM 299 O GLN A 105 -6.358 -12.751 2.799 1.00 0.00 O ATOM 300 CB GLN A 105 -3.303 -12.251 1.976 1.00 0.00 C ATOM 301 CG GLN A 105 -3.515 -13.738 1.745 1.00 0.00 C ATOM 302 CD GLN A 105 -3.099 -14.579 2.935 1.00 0.00 C ATOM 303 OE1 GLN A 105 -2.113 -14.278 3.608 1.00 0.00 O ATOM 304 NE2 GLN A 105 -3.850 -15.641 3.202 1.00 0.00 N ATOM 0 H GLN A 105 -3.290 -9.788 2.058 1.00 0.00 H new ATOM 0 HA GLN A 105 -5.057 -11.621 0.903 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -2.579 -11.879 1.251 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -2.869 -12.104 2.965 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -4.567 -13.921 1.526 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -2.947 -14.050 0.868 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -4.659 -15.854 2.618 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -3.618 -16.244 3.991 1.00 0.00 H new ATOM 313 N SER A 106 -5.489 -11.134 4.100 1.00 0.00 N ATOM 314 CA SER A 106 -6.361 -11.423 5.233 1.00 0.00 C ATOM 315 C SER A 106 -7.829 -11.327 4.826 1.00 0.00 C ATOM 316 O SER A 106 -8.249 -10.350 4.206 1.00 0.00 O ATOM 317 CB SER A 106 -6.075 -10.457 6.383 1.00 0.00 C ATOM 318 OG SER A 106 -6.397 -11.043 7.633 1.00 0.00 O ATOM 0 H SER A 106 -4.836 -10.366 4.256 1.00 0.00 H new ATOM 0 HA SER A 106 -6.159 -12.441 5.565 1.00 0.00 H new ATOM 0 HB2 SER A 106 -5.023 -10.174 6.371 1.00 0.00 H new ATOM 0 HB3 SER A 106 -6.653 -9.543 6.247 1.00 0.00 H new ATOM 0 HG SER A 106 -6.368 -10.358 8.333 1.00 0.00 H new ATOM 324 N GLN A 107 -8.602 -12.348 5.179 1.00 0.00 N ATOM 325 CA GLN A 107 -10.022 -12.380 4.850 1.00 0.00 C ATOM 326 C GLN A 107 -10.861 -11.851 6.009 1.00 0.00 C ATOM 327 O GLN A 107 -11.847 -11.145 5.802 1.00 0.00 O ATOM 328 CB GLN A 107 -10.455 -13.805 4.501 1.00 0.00 C ATOM 329 CG GLN A 107 -9.670 -14.413 3.349 1.00 0.00 C ATOM 330 CD GLN A 107 -10.462 -14.448 2.057 1.00 0.00 C ATOM 331 OE1 GLN A 107 -10.151 -13.730 1.106 1.00 0.00 O ATOM 332 NE2 GLN A 107 -11.492 -15.285 2.015 1.00 0.00 N ATOM 0 H GLN A 107 -8.269 -13.164 5.693 1.00 0.00 H new ATOM 0 HA GLN A 107 -10.183 -11.737 3.985 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -10.340 -14.437 5.382 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -11.515 -13.802 4.246 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -8.756 -13.840 3.195 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -9.370 -15.427 3.614 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -11.714 -15.862 2.827 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -12.061 -15.351 1.171 1.00 0.00 H new ATOM 341 N GLN A 108 -10.462 -12.199 7.228 1.00 0.00 N ATOM 342 CA GLN A 108 -11.179 -11.759 8.420 1.00 0.00 C ATOM 343 C GLN A 108 -11.182 -10.238 8.523 1.00 0.00 C ATOM 344 O GLN A 108 -12.105 -9.646 9.083 1.00 0.00 O ATOM 345 CB GLN A 108 -10.546 -12.366 9.673 1.00 0.00 C ATOM 346 CG GLN A 108 -11.076 -13.750 10.013 1.00 0.00 C ATOM 347 CD GLN A 108 -10.829 -14.131 11.460 1.00 0.00 C ATOM 348 OE1 GLN A 108 -10.906 -13.291 12.356 1.00 0.00 O ATOM 349 NE2 GLN A 108 -10.530 -15.403 11.694 1.00 0.00 N ATOM 0 H GLN A 108 -9.648 -12.783 7.417 1.00 0.00 H new ATOM 0 HA GLN A 108 -12.211 -12.101 8.340 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -9.467 -12.424 9.533 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -10.723 -11.701 10.518 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -12.146 -13.785 9.810 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -10.604 -14.486 9.362 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -10.477 -16.065 10.920 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -10.353 -15.718 12.648 1.00 0.00 H new ATOM 358 N ASP A 109 -10.144 -9.611 7.982 1.00 0.00 N ATOM 359 CA ASP A 109 -10.027 -8.157 8.012 1.00 0.00 C ATOM 360 C ASP A 109 -10.790 -7.527 6.851 1.00 0.00 C ATOM 361 O ASP A 109 -10.227 -6.762 6.068 1.00 0.00 O ATOM 362 CB ASP A 109 -8.556 -7.741 7.958 1.00 0.00 C ATOM 363 CG ASP A 109 -7.719 -8.438 9.012 1.00 0.00 C ATOM 364 OD1 ASP A 109 -8.265 -8.758 10.089 1.00 0.00 O ATOM 365 OD2 ASP A 109 -6.517 -8.663 8.761 1.00 0.00 O ATOM 0 H ASP A 109 -9.371 -10.086 7.517 1.00 0.00 H new ATOM 0 HA ASP A 109 -10.463 -7.801 8.946 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -8.153 -7.967 6.971 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -8.481 -6.662 8.094 1.00 0.00 H new ATOM 370 N ASP A 110 -12.074 -7.853 6.747 1.00 0.00 N ATOM 371 CA ASP A 110 -12.914 -7.318 5.682 1.00 0.00 C ATOM 372 C ASP A 110 -12.883 -5.793 5.679 1.00 0.00 C ATOM 373 O ASP A 110 -13.065 -5.161 4.638 1.00 0.00 O ATOM 374 CB ASP A 110 -14.353 -7.811 5.843 1.00 0.00 C ATOM 375 CG ASP A 110 -15.164 -7.657 4.571 1.00 0.00 C ATOM 376 OD1 ASP A 110 -14.666 -8.058 3.500 1.00 0.00 O ATOM 377 OD2 ASP A 110 -16.296 -7.134 4.648 1.00 0.00 O ATOM 0 H ASP A 110 -12.555 -8.485 7.387 1.00 0.00 H new ATOM 0 HA ASP A 110 -12.521 -7.673 4.729 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -14.344 -8.860 6.140 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -14.836 -7.257 6.648 1.00 0.00 H new ATOM 382 N ILE A 111 -12.652 -5.209 6.849 1.00 0.00 N ATOM 383 CA ILE A 111 -12.596 -3.758 6.980 1.00 0.00 C ATOM 384 C ILE A 111 -11.159 -3.254 6.908 1.00 0.00 C ATOM 385 O ILE A 111 -10.773 -2.343 7.641 1.00 0.00 O ATOM 386 CB ILE A 111 -13.228 -3.288 8.305 1.00 0.00 C ATOM 387 CG1 ILE A 111 -12.446 -3.849 9.495 1.00 0.00 C ATOM 388 CG2 ILE A 111 -14.687 -3.712 8.375 1.00 0.00 C ATOM 389 CD1 ILE A 111 -11.878 -2.780 10.402 1.00 0.00 C ATOM 0 H ILE A 111 -12.501 -5.718 7.720 1.00 0.00 H new ATOM 0 HA ILE A 111 -13.165 -3.344 6.148 1.00 0.00 H new ATOM 0 HB ILE A 111 -13.184 -2.200 8.346 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -13.101 -4.497 10.077 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -11.631 -4.470 9.124 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -15.120 -3.373 9.316 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -15.235 -3.269 7.543 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -14.753 -4.798 8.316 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -11.337 -3.250 11.223 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -11.197 -2.145 9.835 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -12.690 -2.173 10.803 1.00 0.00 H new ATOM 401 N ASP A 112 -10.372 -3.851 6.020 1.00 0.00 N ATOM 402 CA ASP A 112 -8.977 -3.461 5.850 1.00 0.00 C ATOM 403 C ASP A 112 -8.682 -3.122 4.392 1.00 0.00 C ATOM 404 O ASP A 112 -7.946 -2.180 4.100 1.00 0.00 O ATOM 405 CB ASP A 112 -8.051 -4.581 6.324 1.00 0.00 C ATOM 406 CG ASP A 112 -6.585 -4.215 6.193 1.00 0.00 C ATOM 407 OD1 ASP A 112 -6.038 -3.613 7.141 1.00 0.00 O ATOM 408 OD2 ASP A 112 -5.986 -4.529 5.143 1.00 0.00 O ATOM 0 H ASP A 112 -10.676 -4.607 5.407 1.00 0.00 H new ATOM 0 HA ASP A 112 -8.797 -2.572 6.455 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -8.272 -4.815 7.365 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -8.250 -5.483 5.745 1.00 0.00 H new ATOM 413 N PHE A 113 -9.261 -3.897 3.481 1.00 0.00 N ATOM 414 CA PHE A 113 -9.058 -3.681 2.054 1.00 0.00 C ATOM 415 C PHE A 113 -9.348 -2.231 1.676 1.00 0.00 C ATOM 416 O PHE A 113 -8.717 -1.672 0.779 1.00 0.00 O ATOM 417 CB PHE A 113 -9.953 -4.619 1.241 1.00 0.00 C ATOM 418 CG PHE A 113 -9.876 -4.389 -0.239 1.00 0.00 C ATOM 419 CD1 PHE A 113 -8.818 -4.895 -0.979 1.00 0.00 C ATOM 420 CD2 PHE A 113 -10.860 -3.666 -0.894 1.00 0.00 C ATOM 421 CE1 PHE A 113 -8.744 -4.684 -2.343 1.00 0.00 C ATOM 422 CE2 PHE A 113 -10.791 -3.452 -2.258 1.00 0.00 C ATOM 423 CZ PHE A 113 -9.732 -3.962 -2.983 1.00 0.00 C ATOM 0 H PHE A 113 -9.874 -4.680 3.706 1.00 0.00 H new ATOM 0 HA PHE A 113 -8.014 -3.897 1.825 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -9.673 -5.651 1.455 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -10.986 -4.495 1.566 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -8.043 -5.461 -0.484 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -11.691 -3.265 -0.332 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -7.914 -5.083 -2.908 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -11.565 -2.886 -2.756 1.00 0.00 H new ATOM 0 HZ PHE A 113 -9.677 -3.796 -4.049 1.00 0.00 H new ATOM 433 N LYS A 114 -10.308 -1.627 2.368 1.00 0.00 N ATOM 434 CA LYS A 114 -10.683 -0.242 2.109 1.00 0.00 C ATOM 435 C LYS A 114 -9.525 0.702 2.415 1.00 0.00 C ATOM 436 O LYS A 114 -9.130 1.508 1.572 1.00 0.00 O ATOM 437 CB LYS A 114 -11.904 0.143 2.948 1.00 0.00 C ATOM 438 CG LYS A 114 -13.144 -0.672 2.626 1.00 0.00 C ATOM 439 CD LYS A 114 -14.365 -0.142 3.360 1.00 0.00 C ATOM 440 CE LYS A 114 -15.655 -0.575 2.680 1.00 0.00 C ATOM 441 NZ LYS A 114 -16.465 0.592 2.233 1.00 0.00 N ATOM 0 H LYS A 114 -10.841 -2.075 3.113 1.00 0.00 H new ATOM 0 HA LYS A 114 -10.933 -0.151 1.052 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -11.662 0.020 4.004 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -12.123 1.199 2.792 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -13.326 -0.650 1.552 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -12.977 -1.714 2.900 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -14.357 -0.501 4.389 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -14.322 0.946 3.402 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -15.420 -1.204 1.821 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -16.242 -1.182 3.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -17.336 0.255 1.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -16.711 1.179 3.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -15.914 1.158 1.556 1.00 0.00 H new ATOM 455 N ARG A 115 -8.984 0.596 3.623 1.00 0.00 N ATOM 456 CA ARG A 115 -7.870 1.440 4.040 1.00 0.00 C ATOM 457 C ARG A 115 -6.631 1.161 3.194 1.00 0.00 C ATOM 458 O ARG A 115 -5.965 2.085 2.728 1.00 0.00 O ATOM 459 CB ARG A 115 -7.554 1.211 5.518 1.00 0.00 C ATOM 460 CG ARG A 115 -7.645 2.471 6.363 1.00 0.00 C ATOM 461 CD ARG A 115 -8.785 2.388 7.365 1.00 0.00 C ATOM 462 NE ARG A 115 -10.071 2.153 6.714 1.00 0.00 N ATOM 463 CZ ARG A 115 -11.214 2.011 7.376 1.00 0.00 C ATOM 464 NH1 ARG A 115 -11.232 2.082 8.699 1.00 0.00 N ATOM 465 NH2 ARG A 115 -12.344 1.800 6.712 1.00 0.00 N ATOM 0 H ARG A 115 -9.299 -0.067 4.332 1.00 0.00 H new ATOM 0 HA ARG A 115 -8.161 2.480 3.896 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -8.242 0.466 5.917 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -6.550 0.796 5.606 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -6.704 2.624 6.892 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -7.791 3.335 5.715 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -8.586 1.585 8.075 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -8.833 3.314 7.937 1.00 0.00 H new ATOM 0 HE ARG A 115 -10.093 2.095 5.696 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -10.366 2.246 9.213 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -12.112 1.972 9.204 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -12.335 1.747 5.693 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -13.222 1.691 7.220 1.00 0.00 H new ATOM 479 N ALA A 116 -6.329 -0.119 2.999 1.00 0.00 N ATOM 480 CA ALA A 116 -5.172 -0.519 2.209 1.00 0.00 C ATOM 481 C ALA A 116 -5.296 -0.033 0.769 1.00 0.00 C ATOM 482 O ALA A 116 -4.294 0.156 0.081 1.00 0.00 O ATOM 483 CB ALA A 116 -5.006 -2.031 2.245 1.00 0.00 C ATOM 0 H ALA A 116 -6.870 -0.896 3.378 1.00 0.00 H new ATOM 0 HA ALA A 116 -4.287 -0.057 2.646 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -4.138 -2.316 1.651 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -4.863 -2.357 3.275 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -5.898 -2.505 1.835 1.00 0.00 H new ATOM 489 N GLU A 117 -6.532 0.167 0.321 1.00 0.00 N ATOM 490 CA GLU A 117 -6.785 0.630 -1.037 1.00 0.00 C ATOM 491 C GLU A 117 -6.425 2.105 -1.186 1.00 0.00 C ATOM 492 O GLU A 117 -5.772 2.503 -2.152 1.00 0.00 O ATOM 493 CB GLU A 117 -8.253 0.412 -1.409 1.00 0.00 C ATOM 494 CG GLU A 117 -8.593 0.839 -2.827 1.00 0.00 C ATOM 495 CD GLU A 117 -9.937 0.313 -3.289 1.00 0.00 C ATOM 496 OE1 GLU A 117 -10.749 -0.082 -2.426 1.00 0.00 O ATOM 497 OE2 GLU A 117 -10.178 0.296 -4.514 1.00 0.00 O ATOM 0 H GLU A 117 -7.372 0.016 0.879 1.00 0.00 H new ATOM 0 HA GLU A 117 -6.156 0.051 -1.713 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -8.496 -0.644 -1.289 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -8.882 0.966 -0.712 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -8.594 1.928 -2.884 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -7.816 0.485 -3.505 1.00 0.00 H new ATOM 504 N LEU A 118 -6.856 2.913 -0.223 1.00 0.00 N ATOM 505 CA LEU A 118 -6.581 4.345 -0.246 1.00 0.00 C ATOM 506 C LEU A 118 -5.094 4.617 -0.039 1.00 0.00 C ATOM 507 O LEU A 118 -4.539 5.554 -0.612 1.00 0.00 O ATOM 508 CB LEU A 118 -7.396 5.058 0.834 1.00 0.00 C ATOM 509 CG LEU A 118 -7.761 6.515 0.547 1.00 0.00 C ATOM 510 CD1 LEU A 118 -9.050 6.893 1.259 1.00 0.00 C ATOM 511 CD2 LEU A 118 -6.628 7.441 0.965 1.00 0.00 C ATOM 0 H LEU A 118 -7.397 2.601 0.583 1.00 0.00 H new ATOM 0 HA LEU A 118 -6.870 4.730 -1.224 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -8.317 4.498 0.994 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -6.835 5.022 1.768 1.00 0.00 H new ATOM 0 HG LEU A 118 -7.917 6.625 -0.526 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -9.293 7.933 1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -9.859 6.251 0.911 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -8.923 6.766 2.334 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -6.905 8.474 0.753 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -6.440 7.327 2.033 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -5.726 7.186 0.409 1.00 0.00 H new ATOM 523 N ALA A 119 -4.455 3.789 0.780 1.00 0.00 N ATOM 524 CA ALA A 119 -3.032 3.938 1.059 1.00 0.00 C ATOM 525 C ALA A 119 -2.197 3.661 -0.187 1.00 0.00 C ATOM 526 O ALA A 119 -1.288 4.423 -0.519 1.00 0.00 O ATOM 527 CB ALA A 119 -2.616 3.012 2.191 1.00 0.00 C ATOM 0 H ALA A 119 -4.900 3.008 1.262 1.00 0.00 H new ATOM 0 HA ALA A 119 -2.853 4.969 1.364 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -1.551 3.134 2.388 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -3.182 3.258 3.089 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -2.816 1.979 1.908 1.00 0.00 H new ATOM 533 N LEU A 120 -2.509 2.567 -0.871 1.00 0.00 N ATOM 534 CA LEU A 120 -1.787 2.189 -2.081 1.00 0.00 C ATOM 535 C LEU A 120 -1.912 3.269 -3.150 1.00 0.00 C ATOM 536 O LEU A 120 -0.930 3.635 -3.796 1.00 0.00 O ATOM 537 CB LEU A 120 -2.317 0.859 -2.620 1.00 0.00 C ATOM 538 CG LEU A 120 -1.331 -0.310 -2.610 1.00 0.00 C ATOM 539 CD1 LEU A 120 -0.229 -0.087 -3.635 1.00 0.00 C ATOM 540 CD2 LEU A 120 -0.739 -0.497 -1.221 1.00 0.00 C ATOM 0 H LEU A 120 -3.257 1.925 -0.609 1.00 0.00 H new ATOM 0 HA LEU A 120 -0.733 2.077 -1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -3.192 0.575 -2.035 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -2.655 1.014 -3.644 1.00 0.00 H new ATOM 0 HG LEU A 120 -1.871 -1.218 -2.878 1.00 0.00 H new ATOM 0 HD11 LEU A 120 0.463 -0.929 -3.614 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -0.668 -0.003 -4.629 1.00 0.00 H new ATOM 0 HD13 LEU A 120 0.309 0.831 -3.397 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -0.040 -1.333 -1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -0.214 0.411 -0.924 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -1.539 -0.703 -0.509 1.00 0.00 H new ATOM 552 N LYS A 121 -3.126 3.779 -3.330 1.00 0.00 N ATOM 553 CA LYS A 121 -3.380 4.821 -4.318 1.00 0.00 C ATOM 554 C LYS A 121 -2.543 6.062 -4.026 1.00 0.00 C ATOM 555 O LYS A 121 -2.058 6.725 -4.944 1.00 0.00 O ATOM 556 CB LYS A 121 -4.866 5.187 -4.333 1.00 0.00 C ATOM 557 CG LYS A 121 -5.216 6.265 -5.343 1.00 0.00 C ATOM 558 CD LYS A 121 -6.256 5.778 -6.339 1.00 0.00 C ATOM 559 CE LYS A 121 -6.251 6.620 -7.606 1.00 0.00 C ATOM 560 NZ LYS A 121 -7.149 7.802 -7.491 1.00 0.00 N ATOM 0 H LYS A 121 -3.950 3.487 -2.804 1.00 0.00 H new ATOM 0 HA LYS A 121 -3.097 4.435 -5.298 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -5.450 4.293 -4.552 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -5.159 5.524 -3.339 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -5.594 7.145 -4.822 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -4.316 6.572 -5.876 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -6.059 4.736 -6.592 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -7.245 5.813 -5.881 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -5.235 6.955 -7.815 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -6.565 6.007 -8.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -7.117 8.349 -8.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -8.123 7.482 -7.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -6.835 8.401 -6.701 1.00 0.00 H new ATOM 574 N ARG A 122 -2.376 6.371 -2.745 1.00 0.00 N ATOM 575 CA ARG A 122 -1.597 7.533 -2.334 1.00 0.00 C ATOM 576 C ARG A 122 -0.108 7.299 -2.566 1.00 0.00 C ATOM 577 O ARG A 122 0.585 8.149 -3.124 1.00 0.00 O ATOM 578 CB ARG A 122 -1.851 7.847 -0.858 1.00 0.00 C ATOM 579 CG ARG A 122 -2.806 9.008 -0.637 1.00 0.00 C ATOM 580 CD ARG A 122 -2.295 9.954 0.437 1.00 0.00 C ATOM 581 NE ARG A 122 -3.348 10.833 0.938 1.00 0.00 N ATOM 582 CZ ARG A 122 -3.151 11.758 1.871 1.00 0.00 C ATOM 583 NH1 ARG A 122 -1.948 11.924 2.401 1.00 0.00 N ATOM 584 NH2 ARG A 122 -4.160 12.520 2.275 1.00 0.00 N ATOM 0 H ARG A 122 -2.770 5.833 -1.973 1.00 0.00 H new ATOM 0 HA ARG A 122 -1.912 8.383 -2.939 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -2.253 6.959 -0.371 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -0.900 8.073 -0.375 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -2.939 9.554 -1.571 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -3.785 8.625 -0.350 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -1.882 9.375 1.263 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -1.482 10.557 0.032 1.00 0.00 H new ATOM 0 HE ARG A 122 -4.286 10.731 0.550 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -1.170 11.341 2.093 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -1.800 12.635 3.117 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -5.087 12.396 1.869 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -4.008 13.230 2.991 1.00 0.00 H new ATOM 598 N ALA A 123 0.379 6.140 -2.133 1.00 0.00 N ATOM 599 CA ALA A 123 1.785 5.793 -2.295 1.00 0.00 C ATOM 600 C ALA A 123 2.175 5.757 -3.769 1.00 0.00 C ATOM 601 O ALA A 123 3.281 6.151 -4.138 1.00 0.00 O ATOM 602 CB ALA A 123 2.078 4.454 -1.636 1.00 0.00 C ATOM 0 H ALA A 123 -0.180 5.426 -1.667 1.00 0.00 H new ATOM 0 HA ALA A 123 2.382 6.563 -1.807 1.00 0.00 H new ATOM 0 HB1 ALA A 123 3.132 4.208 -1.765 1.00 0.00 H new ATOM 0 HB2 ALA A 123 1.847 4.514 -0.572 1.00 0.00 H new ATOM 0 HB3 ALA A 123 1.465 3.680 -2.098 1.00 0.00 H new ATOM 608 N MET A 124 1.260 5.280 -4.607 1.00 0.00 N ATOM 609 CA MET A 124 1.509 5.192 -6.041 1.00 0.00 C ATOM 610 C MET A 124 1.626 6.582 -6.658 1.00 0.00 C ATOM 611 O MET A 124 2.507 6.835 -7.479 1.00 0.00 O ATOM 612 CB MET A 124 0.389 4.409 -6.728 1.00 0.00 C ATOM 613 CG MET A 124 0.870 3.149 -7.429 1.00 0.00 C ATOM 614 SD MET A 124 -0.402 2.402 -8.466 1.00 0.00 S ATOM 615 CE MET A 124 0.344 2.563 -10.087 1.00 0.00 C ATOM 0 H MET A 124 0.340 4.949 -4.318 1.00 0.00 H new ATOM 0 HA MET A 124 2.453 4.667 -6.189 1.00 0.00 H new ATOM 0 HB2 MET A 124 -0.362 4.138 -5.986 1.00 0.00 H new ATOM 0 HB3 MET A 124 -0.101 5.055 -7.456 1.00 0.00 H new ATOM 0 HG2 MET A 124 1.739 3.388 -8.042 1.00 0.00 H new ATOM 0 HG3 MET A 124 1.196 2.425 -6.683 1.00 0.00 H new ATOM 0 HE1 MET A 124 -0.325 2.144 -10.839 1.00 0.00 H new ATOM 0 HE2 MET A 124 0.519 3.617 -10.304 1.00 0.00 H new ATOM 0 HE3 MET A 124 1.292 2.026 -10.106 1.00 0.00 H new ATOM 625 N ASN A 125 0.732 7.480 -6.258 1.00 0.00 N ATOM 626 CA ASN A 125 0.735 8.844 -6.773 1.00 0.00 C ATOM 627 C ASN A 125 2.059 9.538 -6.468 1.00 0.00 C ATOM 628 O ASN A 125 2.629 10.213 -7.326 1.00 0.00 O ATOM 629 CB ASN A 125 -0.422 9.643 -6.167 1.00 0.00 C ATOM 630 CG ASN A 125 -1.748 9.336 -6.836 1.00 0.00 C ATOM 631 OD1 ASN A 125 -1.791 8.717 -7.900 1.00 0.00 O ATOM 632 ND2 ASN A 125 -2.839 9.770 -6.215 1.00 0.00 N ATOM 0 H ASN A 125 -0.004 7.288 -5.579 1.00 0.00 H new ATOM 0 HA ASN A 125 0.609 8.797 -7.855 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -0.495 9.421 -5.102 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -0.211 10.709 -6.257 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -3.759 9.594 -6.618 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -2.756 10.279 -5.335 1.00 0.00 H new ATOM 639 N ARG A 126 2.544 9.365 -5.243 1.00 0.00 N ATOM 640 CA ARG A 126 3.801 9.974 -4.826 1.00 0.00 C ATOM 641 C ARG A 126 4.969 9.422 -5.638 1.00 0.00 C ATOM 642 O ARG A 126 5.903 10.150 -5.976 1.00 0.00 O ATOM 643 CB ARG A 126 4.041 9.728 -3.335 1.00 0.00 C ATOM 644 CG ARG A 126 3.320 10.715 -2.431 1.00 0.00 C ATOM 645 CD ARG A 126 4.285 11.409 -1.483 1.00 0.00 C ATOM 646 NE ARG A 126 3.684 12.582 -0.853 1.00 0.00 N ATOM 647 CZ ARG A 126 2.755 12.512 0.094 1.00 0.00 C ATOM 648 NH1 ARG A 126 2.323 11.333 0.518 1.00 0.00 N ATOM 649 NH2 ARG A 126 2.257 13.624 0.618 1.00 0.00 N ATOM 0 H ARG A 126 2.085 8.808 -4.522 1.00 0.00 H new ATOM 0 HA ARG A 126 3.733 11.047 -5.004 1.00 0.00 H new ATOM 0 HB2 ARG A 126 3.718 8.717 -3.086 1.00 0.00 H new ATOM 0 HB3 ARG A 126 5.111 9.779 -3.135 1.00 0.00 H new ATOM 0 HG2 ARG A 126 2.807 11.460 -3.039 1.00 0.00 H new ATOM 0 HG3 ARG A 126 2.556 10.192 -1.856 1.00 0.00 H new ATOM 0 HD2 ARG A 126 4.604 10.707 -0.713 1.00 0.00 H new ATOM 0 HD3 ARG A 126 5.178 11.709 -2.031 1.00 0.00 H new ATOM 0 HE ARG A 126 3.995 13.505 -1.157 1.00 0.00 H new ATOM 0 HH11 ARG A 126 2.704 10.476 0.117 1.00 0.00 H new ATOM 0 HH12 ARG A 126 1.610 11.283 1.245 1.00 0.00 H new ATOM 0 HH21 ARG A 126 2.587 14.533 0.294 1.00 0.00 H new ATOM 0 HH22 ARG A 126 1.544 13.570 1.345 1.00 0.00 H new ATOM 663 N LEU A 127 4.909 8.131 -5.947 1.00 0.00 N ATOM 664 CA LEU A 127 5.962 7.480 -6.719 1.00 0.00 C ATOM 665 C LEU A 127 6.046 8.065 -8.125 1.00 0.00 C ATOM 666 O LEU A 127 7.136 8.310 -8.643 1.00 0.00 O ATOM 667 CB LEU A 127 5.709 5.974 -6.795 1.00 0.00 C ATOM 668 CG LEU A 127 6.945 5.079 -6.692 1.00 0.00 C ATOM 669 CD1 LEU A 127 7.567 5.186 -5.308 1.00 0.00 C ATOM 670 CD2 LEU A 127 6.586 3.635 -7.008 1.00 0.00 C ATOM 0 H LEU A 127 4.143 7.515 -5.675 1.00 0.00 H new ATOM 0 HA LEU A 127 6.912 7.657 -6.214 1.00 0.00 H new ATOM 0 HB2 LEU A 127 5.020 5.701 -5.996 1.00 0.00 H new ATOM 0 HB3 LEU A 127 5.206 5.758 -7.737 1.00 0.00 H new ATOM 0 HG LEU A 127 7.678 5.418 -7.424 1.00 0.00 H new ATOM 0 HD11 LEU A 127 8.445 4.543 -5.253 1.00 0.00 H new ATOM 0 HD12 LEU A 127 7.861 6.219 -5.120 1.00 0.00 H new ATOM 0 HD13 LEU A 127 6.841 4.874 -4.558 1.00 0.00 H new ATOM 0 HD21 LEU A 127 7.478 3.013 -6.930 1.00 0.00 H new ATOM 0 HD22 LEU A 127 5.835 3.284 -6.300 1.00 0.00 H new ATOM 0 HD23 LEU A 127 6.188 3.572 -8.021 1.00 0.00 H new ATOM 682 N SER A 128 4.888 8.287 -8.739 1.00 0.00 N ATOM 683 CA SER A 128 4.831 8.841 -10.087 1.00 0.00 C ATOM 684 C SER A 128 5.507 10.208 -10.141 1.00 0.00 C ATOM 685 O SER A 128 6.363 10.456 -10.990 1.00 0.00 O ATOM 686 CB SER A 128 3.378 8.960 -10.551 1.00 0.00 C ATOM 687 OG SER A 128 3.307 9.249 -11.935 1.00 0.00 O ATOM 0 H SER A 128 3.977 8.092 -8.324 1.00 0.00 H new ATOM 0 HA SER A 128 5.364 8.164 -10.755 1.00 0.00 H new ATOM 0 HB2 SER A 128 2.849 8.030 -10.343 1.00 0.00 H new ATOM 0 HB3 SER A 128 2.876 9.745 -9.986 1.00 0.00 H new ATOM 0 HG SER A 128 2.368 9.318 -12.207 1.00 0.00 H new ATOM 693 N VAL A 129 5.117 11.091 -9.227 1.00 0.00 N ATOM 694 CA VAL A 129 5.685 12.433 -9.170 1.00 0.00 C ATOM 695 C VAL A 129 7.182 12.383 -8.886 1.00 0.00 C ATOM 696 O VAL A 129 7.947 13.205 -9.389 1.00 0.00 O ATOM 697 CB VAL A 129 4.997 13.288 -8.090 1.00 0.00 C ATOM 698 CG1 VAL A 129 5.547 14.706 -8.099 1.00 0.00 C ATOM 699 CG2 VAL A 129 3.489 13.290 -8.293 1.00 0.00 C ATOM 0 H VAL A 129 4.410 10.901 -8.516 1.00 0.00 H new ATOM 0 HA VAL A 129 5.518 12.890 -10.145 1.00 0.00 H new ATOM 0 HB VAL A 129 5.209 12.849 -7.115 1.00 0.00 H new ATOM 0 HG11 VAL A 129 5.048 15.295 -7.329 1.00 0.00 H new ATOM 0 HG12 VAL A 129 6.618 14.682 -7.900 1.00 0.00 H new ATOM 0 HG13 VAL A 129 5.369 15.159 -9.074 1.00 0.00 H new ATOM 0 HG21 VAL A 129 3.019 13.899 -7.521 1.00 0.00 H new ATOM 0 HG22 VAL A 129 3.254 13.703 -9.274 1.00 0.00 H new ATOM 0 HG23 VAL A 129 3.112 12.269 -8.230 1.00 0.00 H new ATOM 709 N ALA A 130 7.594 11.413 -8.076 1.00 0.00 N ATOM 710 CA ALA A 130 9.000 11.255 -7.726 1.00 0.00 C ATOM 711 C ALA A 130 9.859 11.075 -8.974 1.00 0.00 C ATOM 712 O ALA A 130 10.819 11.814 -9.188 1.00 0.00 O ATOM 713 CB ALA A 130 9.180 10.073 -6.784 1.00 0.00 C ATOM 0 H ALA A 130 6.974 10.725 -7.650 1.00 0.00 H new ATOM 0 HA ALA A 130 9.327 12.163 -7.219 1.00 0.00 H new ATOM 0 HB1 ALA A 130 10.235 9.967 -6.531 1.00 0.00 H new ATOM 0 HB2 ALA A 130 8.604 10.242 -5.874 1.00 0.00 H new ATOM 0 HB3 ALA A 130 8.830 9.163 -7.271 1.00 0.00 H new ATOM 719 N GLU A 131 9.507 10.088 -9.791 1.00 0.00 N ATOM 720 CA GLU A 131 10.248 9.811 -11.016 1.00 0.00 C ATOM 721 C GLU A 131 10.411 11.078 -11.852 1.00 0.00 C ATOM 722 O GLU A 131 11.527 11.535 -12.094 1.00 0.00 O ATOM 723 CB GLU A 131 9.536 8.734 -11.837 1.00 0.00 C ATOM 724 CG GLU A 131 10.445 8.019 -12.823 1.00 0.00 C ATOM 725 CD GLU A 131 10.842 6.634 -12.353 1.00 0.00 C ATOM 726 OE1 GLU A 131 10.044 5.692 -12.542 1.00 0.00 O ATOM 727 OE2 GLU A 131 11.950 6.491 -11.794 1.00 0.00 O ATOM 0 H GLU A 131 8.714 9.467 -9.627 1.00 0.00 H new ATOM 0 HA GLU A 131 11.238 9.450 -10.737 1.00 0.00 H new ATOM 0 HB2 GLU A 131 9.101 8.000 -11.158 1.00 0.00 H new ATOM 0 HB3 GLU A 131 8.711 9.191 -12.383 1.00 0.00 H new ATOM 0 HG2 GLU A 131 9.940 7.941 -13.786 1.00 0.00 H new ATOM 0 HG3 GLU A 131 11.343 8.616 -12.982 1.00 0.00 H new ATOM 734 N MET A 132 9.288 11.639 -12.289 1.00 0.00 N ATOM 735 CA MET A 132 9.306 12.853 -13.097 1.00 0.00 C ATOM 736 C MET A 132 9.190 14.093 -12.217 1.00 0.00 C ATOM 737 O MET A 132 8.466 15.034 -12.544 1.00 0.00 O ATOM 738 CB MET A 132 8.166 12.829 -14.118 1.00 0.00 C ATOM 739 CG MET A 132 8.465 11.980 -15.342 1.00 0.00 C ATOM 740 SD MET A 132 7.780 12.679 -16.856 1.00 0.00 S ATOM 741 CE MET A 132 9.211 13.536 -17.510 1.00 0.00 C ATOM 0 H MET A 132 8.355 11.273 -12.097 1.00 0.00 H new ATOM 0 HA MET A 132 10.258 12.893 -13.627 1.00 0.00 H new ATOM 0 HB2 MET A 132 7.265 12.451 -13.635 1.00 0.00 H new ATOM 0 HB3 MET A 132 7.953 13.849 -14.437 1.00 0.00 H new ATOM 0 HG2 MET A 132 9.544 11.874 -15.451 1.00 0.00 H new ATOM 0 HG3 MET A 132 8.060 10.979 -15.193 1.00 0.00 H new ATOM 0 HE1 MET A 132 8.947 14.021 -18.449 1.00 0.00 H new ATOM 0 HE2 MET A 132 9.543 14.288 -16.794 1.00 0.00 H new ATOM 0 HE3 MET A 132 10.015 12.821 -17.685 1.00 0.00 H new ATOM 751 N LYS A 133 9.908 14.089 -11.099 1.00 0.00 N ATOM 752 CA LYS A 133 9.887 15.214 -10.171 1.00 0.00 C ATOM 753 C LYS A 133 10.338 16.497 -10.862 1.00 0.00 C ATOM 754 O LYS A 133 9.875 17.588 -10.528 1.00 0.00 O ATOM 755 CB LYS A 133 10.789 14.926 -8.968 1.00 0.00 C ATOM 756 CG LYS A 133 12.240 14.679 -9.341 1.00 0.00 C ATOM 757 CD LYS A 133 13.189 15.274 -8.314 1.00 0.00 C ATOM 758 CE LYS A 133 14.518 15.664 -8.943 1.00 0.00 C ATOM 759 NZ LYS A 133 15.640 15.577 -7.968 1.00 0.00 N ATOM 0 H LYS A 133 10.512 13.319 -10.813 1.00 0.00 H new ATOM 0 HA LYS A 133 8.862 15.349 -9.825 1.00 0.00 H new ATOM 0 HB2 LYS A 133 10.738 15.767 -8.277 1.00 0.00 H new ATOM 0 HB3 LYS A 133 10.406 14.054 -8.437 1.00 0.00 H new ATOM 0 HG2 LYS A 133 12.418 13.607 -9.424 1.00 0.00 H new ATOM 0 HG3 LYS A 133 12.444 15.112 -10.320 1.00 0.00 H new ATOM 0 HD2 LYS A 133 12.730 16.151 -7.858 1.00 0.00 H new ATOM 0 HD3 LYS A 133 13.361 14.553 -7.515 1.00 0.00 H new ATOM 0 HE2 LYS A 133 14.723 15.012 -9.792 1.00 0.00 H new ATOM 0 HE3 LYS A 133 14.452 16.681 -9.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 16.528 15.851 -8.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 15.457 16.218 -7.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 15.720 14.601 -7.617 1.00 0.00 H new