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=-0.00558 K(o=-0.0056,f=-1.4) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-0.9) 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 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 10.045 8.887 1.220 1.00 0.00 N ATOM 21 CA ASP A 89 11.168 7.957 1.256 1.00 0.00 C ATOM 22 C ASP A 89 10.864 6.707 0.438 1.00 0.00 C ATOM 23 O ASP A 89 9.880 6.011 0.689 1.00 0.00 O ATOM 24 CB ASP A 89 11.493 7.571 2.699 1.00 0.00 C ATOM 25 CG ASP A 89 12.791 6.797 2.813 1.00 0.00 C ATOM 26 OD1 ASP A 89 13.622 6.893 1.886 1.00 0.00 O ATOM 27 OD2 ASP A 89 12.975 6.093 3.829 1.00 0.00 O ATOM 0 HA ASP A 89 12.034 8.454 0.818 1.00 0.00 H new ATOM 0 HB2 ASP A 89 11.557 8.473 3.308 1.00 0.00 H new ATOM 0 HB3 ASP A 89 10.678 6.970 3.104 1.00 0.00 H new ATOM 32 N VAL A 90 11.715 6.427 -0.544 1.00 0.00 N ATOM 33 CA VAL A 90 11.538 5.260 -1.401 1.00 0.00 C ATOM 34 C VAL A 90 11.627 3.969 -0.595 1.00 0.00 C ATOM 35 O VAL A 90 10.923 2.998 -0.877 1.00 0.00 O ATOM 36 CB VAL A 90 12.590 5.224 -2.525 1.00 0.00 C ATOM 37 CG1 VAL A 90 12.343 4.041 -3.449 1.00 0.00 C ATOM 38 CG2 VAL A 90 12.582 6.531 -3.304 1.00 0.00 C ATOM 0 H VAL A 90 12.534 6.993 -0.766 1.00 0.00 H new ATOM 0 HA VAL A 90 10.546 5.341 -1.845 1.00 0.00 H new ATOM 0 HB VAL A 90 13.575 5.103 -2.074 1.00 0.00 H new ATOM 0 HG11 VAL A 90 13.096 4.032 -4.237 1.00 0.00 H new ATOM 0 HG12 VAL A 90 12.404 3.114 -2.878 1.00 0.00 H new ATOM 0 HG13 VAL A 90 11.352 4.128 -3.895 1.00 0.00 H new ATOM 0 HG21 VAL A 90 13.331 6.488 -4.094 1.00 0.00 H new ATOM 0 HG22 VAL A 90 11.597 6.685 -3.746 1.00 0.00 H new ATOM 0 HG23 VAL A 90 12.811 7.357 -2.631 1.00 0.00 H new ATOM 48 N LEU A 91 12.496 3.964 0.409 1.00 0.00 N ATOM 49 CA LEU A 91 12.678 2.791 1.258 1.00 0.00 C ATOM 50 C LEU A 91 11.393 2.460 2.010 1.00 0.00 C ATOM 51 O LEU A 91 10.947 1.313 2.023 1.00 0.00 O ATOM 52 CB LEU A 91 13.818 3.026 2.250 1.00 0.00 C ATOM 53 CG LEU A 91 14.440 1.773 2.867 1.00 0.00 C ATOM 54 CD1 LEU A 91 15.888 1.623 2.427 1.00 0.00 C ATOM 55 CD2 LEU A 91 14.345 1.824 4.385 1.00 0.00 C ATOM 0 H LEU A 91 13.086 4.759 0.656 1.00 0.00 H new ATOM 0 HA LEU A 91 12.931 1.945 0.619 1.00 0.00 H new ATOM 0 HB2 LEU A 91 14.604 3.586 1.743 1.00 0.00 H new ATOM 0 HB3 LEU A 91 13.446 3.658 3.057 1.00 0.00 H new ATOM 0 HG LEU A 91 13.884 0.904 2.516 1.00 0.00 H new ATOM 0 HD11 LEU A 91 16.314 0.726 2.876 1.00 0.00 H new ATOM 0 HD12 LEU A 91 15.932 1.541 1.341 1.00 0.00 H new ATOM 0 HD13 LEU A 91 16.458 2.495 2.748 1.00 0.00 H new ATOM 0 HD21 LEU A 91 14.792 0.925 4.808 1.00 0.00 H new ATOM 0 HD22 LEU A 91 14.876 2.701 4.754 1.00 0.00 H new ATOM 0 HD23 LEU A 91 13.298 1.883 4.682 1.00 0.00 H new ATOM 67 N ARG A 92 10.803 3.473 2.636 1.00 0.00 N ATOM 68 CA ARG A 92 9.569 3.290 3.392 1.00 0.00 C ATOM 69 C ARG A 92 8.414 2.923 2.464 1.00 0.00 C ATOM 70 O ARG A 92 7.615 2.039 2.772 1.00 0.00 O ATOM 71 CB ARG A 92 9.228 4.563 4.168 1.00 0.00 C ATOM 72 CG ARG A 92 8.664 4.297 5.555 1.00 0.00 C ATOM 73 CD ARG A 92 9.701 3.660 6.466 1.00 0.00 C ATOM 74 NE ARG A 92 9.190 2.461 7.124 1.00 0.00 N ATOM 75 CZ ARG A 92 9.910 1.713 7.953 1.00 0.00 C ATOM 76 NH1 ARG A 92 11.166 2.039 8.223 1.00 0.00 N ATOM 77 NH2 ARG A 92 9.374 0.636 8.513 1.00 0.00 N ATOM 0 H ARG A 92 11.159 4.429 2.635 1.00 0.00 H new ATOM 0 HA ARG A 92 9.721 2.473 4.097 1.00 0.00 H new ATOM 0 HB2 ARG A 92 10.126 5.174 4.261 1.00 0.00 H new ATOM 0 HB3 ARG A 92 8.505 5.145 3.596 1.00 0.00 H new ATOM 0 HG2 ARG A 92 8.319 5.233 5.994 1.00 0.00 H new ATOM 0 HG3 ARG A 92 7.796 3.642 5.476 1.00 0.00 H new ATOM 0 HD2 ARG A 92 10.586 3.404 5.884 1.00 0.00 H new ATOM 0 HD3 ARG A 92 10.013 4.382 7.220 1.00 0.00 H new ATOM 0 HE ARG A 92 8.227 2.182 6.937 1.00 0.00 H new ATOM 0 HH11 ARG A 92 11.582 2.866 7.794 1.00 0.00 H new ATOM 0 HH12 ARG A 92 11.717 1.463 8.860 1.00 0.00 H new ATOM 0 HH21 ARG A 92 8.408 0.381 8.307 1.00 0.00 H new ATOM 0 HH22 ARG A 92 9.928 0.063 9.149 1.00 0.00 H new ATOM 91 N ALA A 93 8.333 3.608 1.329 1.00 0.00 N ATOM 92 CA ALA A 93 7.277 3.354 0.358 1.00 0.00 C ATOM 93 C ALA A 93 7.265 1.890 -0.069 1.00 0.00 C ATOM 94 O ALA A 93 6.203 1.288 -0.232 1.00 0.00 O ATOM 95 CB ALA A 93 7.447 4.257 -0.855 1.00 0.00 C ATOM 0 H ALA A 93 8.986 4.343 1.059 1.00 0.00 H new ATOM 0 HA ALA A 93 6.321 3.576 0.832 1.00 0.00 H new ATOM 0 HB1 ALA A 93 6.651 4.056 -1.572 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.399 5.300 -0.542 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.413 4.062 -1.321 1.00 0.00 H new ATOM 101 N LYS A 94 8.452 1.321 -0.248 1.00 0.00 N ATOM 102 CA LYS A 94 8.580 -0.073 -0.656 1.00 0.00 C ATOM 103 C LYS A 94 8.100 -1.009 0.448 1.00 0.00 C ATOM 104 O LYS A 94 7.302 -1.914 0.207 1.00 0.00 O ATOM 105 CB LYS A 94 10.033 -0.391 -1.012 1.00 0.00 C ATOM 106 CG LYS A 94 10.444 0.104 -2.388 1.00 0.00 C ATOM 107 CD LYS A 94 10.335 -0.996 -3.432 1.00 0.00 C ATOM 108 CE LYS A 94 9.828 -0.455 -4.760 1.00 0.00 C ATOM 109 NZ LYS A 94 8.761 -1.317 -5.339 1.00 0.00 N ATOM 0 H LYS A 94 9.340 1.805 -0.117 1.00 0.00 H new ATOM 0 HA LYS A 94 7.955 -0.226 -1.536 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.688 0.056 -0.264 1.00 0.00 H new ATOM 0 HB3 LYS A 94 10.183 -1.470 -0.963 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.813 0.945 -2.677 1.00 0.00 H new ATOM 0 HG3 LYS A 94 11.469 0.472 -2.352 1.00 0.00 H new ATOM 0 HD2 LYS A 94 11.310 -1.461 -3.576 1.00 0.00 H new ATOM 0 HD3 LYS A 94 9.661 -1.774 -3.074 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.442 0.554 -4.617 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.658 -0.382 -5.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.442 -0.914 -6.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 9.136 -2.274 -5.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 7.958 -1.366 -4.680 1.00 0.00 H new ATOM 123 N ALA A 95 8.590 -0.783 1.663 1.00 0.00 N ATOM 124 CA ALA A 95 8.209 -1.603 2.806 1.00 0.00 C ATOM 125 C ALA A 95 6.694 -1.631 2.981 1.00 0.00 C ATOM 126 O ALA A 95 6.096 -2.697 3.121 1.00 0.00 O ATOM 127 CB ALA A 95 8.879 -1.090 4.071 1.00 0.00 C ATOM 0 H ALA A 95 9.252 -0.038 1.881 1.00 0.00 H new ATOM 0 HA ALA A 95 8.546 -2.623 2.618 1.00 0.00 H new ATOM 0 HB1 ALA A 95 8.585 -1.712 4.916 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.962 -1.129 3.951 1.00 0.00 H new ATOM 0 HB3 ALA A 95 8.571 -0.060 4.254 1.00 0.00 H new ATOM 133 N ALA A 96 6.080 -0.453 2.971 1.00 0.00 N ATOM 134 CA ALA A 96 4.635 -0.343 3.127 1.00 0.00 C ATOM 135 C ALA A 96 3.905 -1.172 2.076 1.00 0.00 C ATOM 136 O ALA A 96 2.918 -1.843 2.375 1.00 0.00 O ATOM 137 CB ALA A 96 4.205 1.114 3.045 1.00 0.00 C ATOM 0 H ALA A 96 6.561 0.439 2.856 1.00 0.00 H new ATOM 0 HA ALA A 96 4.369 -0.734 4.109 1.00 0.00 H new ATOM 0 HB1 ALA A 96 3.124 1.181 3.163 1.00 0.00 H new ATOM 0 HB2 ALA A 96 4.693 1.682 3.837 1.00 0.00 H new ATOM 0 HB3 ALA A 96 4.490 1.524 2.076 1.00 0.00 H new ATOM 143 N LYS A 97 4.396 -1.120 0.842 1.00 0.00 N ATOM 144 CA LYS A 97 3.791 -1.866 -0.254 1.00 0.00 C ATOM 145 C LYS A 97 3.822 -3.365 0.026 1.00 0.00 C ATOM 146 O LYS A 97 2.861 -4.078 -0.259 1.00 0.00 O ATOM 147 CB LYS A 97 4.520 -1.566 -1.566 1.00 0.00 C ATOM 148 CG LYS A 97 3.600 -1.498 -2.772 1.00 0.00 C ATOM 149 CD LYS A 97 3.721 -2.741 -3.637 1.00 0.00 C ATOM 150 CE LYS A 97 4.500 -2.459 -4.912 1.00 0.00 C ATOM 151 NZ LYS A 97 3.605 -2.050 -6.030 1.00 0.00 N ATOM 0 H LYS A 97 5.212 -0.568 0.576 1.00 0.00 H new ATOM 0 HA LYS A 97 2.751 -1.552 -0.344 1.00 0.00 H new ATOM 0 HB2 LYS A 97 5.049 -0.618 -1.469 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.273 -2.335 -1.737 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.569 -1.385 -2.438 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.841 -0.616 -3.365 1.00 0.00 H new ATOM 0 HD2 LYS A 97 4.217 -3.531 -3.073 1.00 0.00 H new ATOM 0 HD3 LYS A 97 2.726 -3.107 -3.891 1.00 0.00 H new ATOM 0 HE2 LYS A 97 5.230 -1.672 -4.725 1.00 0.00 H new ATOM 0 HE3 LYS A 97 5.058 -3.349 -5.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 4.174 -1.867 -6.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 2.924 -2.811 -6.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 3.091 -1.186 -5.765 1.00 0.00 H new ATOM 165 N GLU A 98 4.932 -3.835 0.586 1.00 0.00 N ATOM 166 CA GLU A 98 5.085 -5.250 0.905 1.00 0.00 C ATOM 167 C GLU A 98 4.059 -5.688 1.945 1.00 0.00 C ATOM 168 O GLU A 98 3.396 -6.713 1.785 1.00 0.00 O ATOM 169 CB GLU A 98 6.500 -5.529 1.418 1.00 0.00 C ATOM 170 CG GLU A 98 6.931 -6.977 1.258 1.00 0.00 C ATOM 171 CD GLU A 98 7.308 -7.318 -0.170 1.00 0.00 C ATOM 172 OE1 GLU A 98 6.422 -7.264 -1.047 1.00 0.00 O ATOM 173 OE2 GLU A 98 8.491 -7.640 -0.409 1.00 0.00 O ATOM 0 H GLU A 98 5.737 -3.258 0.828 1.00 0.00 H new ATOM 0 HA GLU A 98 4.917 -5.822 -0.007 1.00 0.00 H new ATOM 0 HB2 GLU A 98 7.203 -4.889 0.886 1.00 0.00 H new ATOM 0 HB3 GLU A 98 6.556 -5.257 2.472 1.00 0.00 H new ATOM 0 HG2 GLU A 98 7.781 -7.174 1.911 1.00 0.00 H new ATOM 0 HG3 GLU A 98 6.122 -7.631 1.582 1.00 0.00 H new ATOM 180 N ARG A 99 3.934 -4.904 3.011 1.00 0.00 N ATOM 181 CA ARG A 99 2.990 -5.212 4.079 1.00 0.00 C ATOM 182 C ARG A 99 1.552 -5.093 3.584 1.00 0.00 C ATOM 183 O ARG A 99 0.695 -5.903 3.937 1.00 0.00 O ATOM 184 CB ARG A 99 3.211 -4.275 5.269 1.00 0.00 C ATOM 185 CG ARG A 99 3.137 -4.975 6.616 1.00 0.00 C ATOM 186 CD ARG A 99 4.010 -4.283 7.651 1.00 0.00 C ATOM 187 NE ARG A 99 3.259 -3.309 8.437 1.00 0.00 N ATOM 188 CZ ARG A 99 2.400 -3.642 9.395 1.00 0.00 C ATOM 189 NH1 ARG A 99 2.185 -4.918 9.682 1.00 0.00 N ATOM 190 NH2 ARG A 99 1.755 -2.698 10.067 1.00 0.00 N ATOM 0 H ARG A 99 4.474 -4.051 3.158 1.00 0.00 H new ATOM 0 HA ARG A 99 3.162 -6.240 4.398 1.00 0.00 H new ATOM 0 HB2 ARG A 99 4.186 -3.799 5.170 1.00 0.00 H new ATOM 0 HB3 ARG A 99 2.464 -3.482 5.240 1.00 0.00 H new ATOM 0 HG2 ARG A 99 2.104 -4.992 6.962 1.00 0.00 H new ATOM 0 HG3 ARG A 99 3.453 -6.012 6.506 1.00 0.00 H new ATOM 0 HD2 ARG A 99 4.443 -5.029 8.317 1.00 0.00 H new ATOM 0 HD3 ARG A 99 4.839 -3.783 7.150 1.00 0.00 H new ATOM 0 HE ARG A 99 3.401 -2.318 8.240 1.00 0.00 H new ATOM 0 HH11 ARG A 99 2.679 -5.647 9.167 1.00 0.00 H new ATOM 0 HH12 ARG A 99 1.525 -5.171 10.418 1.00 0.00 H new ATOM 0 HH21 ARG A 99 1.918 -1.715 9.849 1.00 0.00 H new ATOM 0 HH22 ARG A 99 1.096 -2.955 10.802 1.00 0.00 H new ATOM 204 N ALA A 100 1.295 -4.078 2.765 1.00 0.00 N ATOM 205 CA ALA A 100 -0.038 -3.854 2.221 1.00 0.00 C ATOM 206 C ALA A 100 -0.523 -5.069 1.438 1.00 0.00 C ATOM 207 O ALA A 100 -1.693 -5.443 1.518 1.00 0.00 O ATOM 208 CB ALA A 100 -0.046 -2.616 1.336 1.00 0.00 C ATOM 0 H ALA A 100 1.993 -3.398 2.464 1.00 0.00 H new ATOM 0 HA ALA A 100 -0.722 -3.696 3.055 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -1.048 -2.461 0.936 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.249 -1.747 1.924 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.656 -2.753 0.513 1.00 0.00 H new ATOM 214 N GLU A 101 0.384 -5.681 0.683 1.00 0.00 N ATOM 215 CA GLU A 101 0.046 -6.854 -0.115 1.00 0.00 C ATOM 216 C GLU A 101 -0.178 -8.072 0.776 1.00 0.00 C ATOM 217 O GLU A 101 -1.043 -8.904 0.500 1.00 0.00 O ATOM 218 CB GLU A 101 1.156 -7.146 -1.126 1.00 0.00 C ATOM 219 CG GLU A 101 0.678 -7.155 -2.569 1.00 0.00 C ATOM 220 CD GLU A 101 1.664 -7.827 -3.506 1.00 0.00 C ATOM 221 OE1 GLU A 101 2.862 -7.481 -3.454 1.00 0.00 O ATOM 222 OE2 GLU A 101 1.235 -8.699 -4.291 1.00 0.00 O ATOM 0 H GLU A 101 1.357 -5.385 0.607 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.879 -6.643 -0.652 1.00 0.00 H new ATOM 0 HB2 GLU A 101 1.941 -6.398 -1.017 1.00 0.00 H new ATOM 0 HB3 GLU A 101 1.602 -8.113 -0.894 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -0.281 -7.670 -2.627 1.00 0.00 H new ATOM 0 HG3 GLU A 101 0.510 -6.130 -2.899 1.00 0.00 H new ATOM 229 N ARG A 102 0.607 -8.170 1.842 1.00 0.00 N ATOM 230 CA ARG A 102 0.496 -9.287 2.773 1.00 0.00 C ATOM 231 C ARG A 102 -0.851 -9.266 3.490 1.00 0.00 C ATOM 232 O ARG A 102 -1.527 -10.290 3.592 1.00 0.00 O ATOM 233 CB ARG A 102 1.631 -9.240 3.797 1.00 0.00 C ATOM 234 CG ARG A 102 3.000 -9.535 3.204 1.00 0.00 C ATOM 235 CD ARG A 102 4.117 -9.024 4.100 1.00 0.00 C ATOM 236 NE ARG A 102 4.747 -10.103 4.857 1.00 0.00 N ATOM 237 CZ ARG A 102 5.915 -9.979 5.479 1.00 0.00 C ATOM 238 NH1 ARG A 102 6.576 -8.831 5.434 1.00 0.00 N ATOM 239 NH2 ARG A 102 6.424 -11.006 6.147 1.00 0.00 N ATOM 0 H ARG A 102 1.328 -7.490 2.084 1.00 0.00 H new ATOM 0 HA ARG A 102 0.570 -10.212 2.201 1.00 0.00 H new ATOM 0 HB2 ARG A 102 1.650 -8.254 4.260 1.00 0.00 H new ATOM 0 HB3 ARG A 102 1.425 -9.960 4.589 1.00 0.00 H new ATOM 0 HG2 ARG A 102 3.111 -10.610 3.059 1.00 0.00 H new ATOM 0 HG3 ARG A 102 3.080 -9.071 2.221 1.00 0.00 H new ATOM 0 HD2 ARG A 102 4.869 -8.521 3.492 1.00 0.00 H new ATOM 0 HD3 ARG A 102 3.717 -8.282 4.791 1.00 0.00 H new ATOM 0 HE ARG A 102 4.264 -11.000 4.911 1.00 0.00 H new ATOM 0 HH11 ARG A 102 6.189 -8.039 4.921 1.00 0.00 H new ATOM 0 HH12 ARG A 102 7.472 -8.739 5.913 1.00 0.00 H new ATOM 0 HH21 ARG A 102 5.919 -11.891 6.183 1.00 0.00 H new ATOM 0 HH22 ARG A 102 7.320 -10.910 6.624 1.00 0.00 H new ATOM 253 N ARG A 103 -1.234 -8.093 3.984 1.00 0.00 N ATOM 254 CA ARG A 103 -2.499 -7.939 4.693 1.00 0.00 C ATOM 255 C ARG A 103 -3.679 -8.127 3.744 1.00 0.00 C ATOM 256 O ARG A 103 -4.748 -8.586 4.149 1.00 0.00 O ATOM 257 CB ARG A 103 -2.574 -6.561 5.351 1.00 0.00 C ATOM 258 CG ARG A 103 -2.522 -5.409 4.362 1.00 0.00 C ATOM 259 CD ARG A 103 -2.650 -4.065 5.062 1.00 0.00 C ATOM 260 NE ARG A 103 -1.569 -3.840 6.017 1.00 0.00 N ATOM 261 CZ ARG A 103 -1.316 -2.662 6.577 1.00 0.00 C ATOM 262 NH1 ARG A 103 -2.064 -1.609 6.280 1.00 0.00 N ATOM 263 NH2 ARG A 103 -0.313 -2.537 7.437 1.00 0.00 N ATOM 0 H ARG A 103 -0.687 -7.236 3.906 1.00 0.00 H new ATOM 0 HA ARG A 103 -2.550 -8.706 5.466 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -3.497 -6.493 5.927 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -1.750 -6.460 6.057 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.583 -5.445 3.810 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -3.325 -5.518 3.633 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -2.649 -3.268 4.319 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -3.608 -4.016 5.580 1.00 0.00 H new ATOM 0 HE ARG A 103 -0.975 -4.631 6.268 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -2.836 -1.702 5.620 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -1.868 -0.706 6.711 1.00 0.00 H new ATOM 0 HH21 ARG A 103 0.264 -3.346 7.668 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -0.119 -1.632 7.867 1.00 0.00 H new ATOM 277 N LEU A 104 -3.479 -7.767 2.481 1.00 0.00 N ATOM 278 CA LEU A 104 -4.527 -7.895 1.474 1.00 0.00 C ATOM 279 C LEU A 104 -5.060 -9.323 1.421 1.00 0.00 C ATOM 280 O LEU A 104 -6.259 -9.542 1.254 1.00 0.00 O ATOM 281 CB LEU A 104 -3.994 -7.486 0.100 1.00 0.00 C ATOM 282 CG LEU A 104 -4.892 -6.560 -0.719 1.00 0.00 C ATOM 283 CD1 LEU A 104 -4.925 -5.168 -0.107 1.00 0.00 C ATOM 284 CD2 LEU A 104 -4.418 -6.498 -2.164 1.00 0.00 C ATOM 0 H LEU A 104 -2.601 -7.384 2.130 1.00 0.00 H new ATOM 0 HA LEU A 104 -5.346 -7.231 1.751 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.030 -6.996 0.237 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -3.812 -8.390 -0.481 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.904 -6.964 -0.706 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.570 -4.523 -0.704 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.313 -5.227 0.910 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.916 -4.755 -0.088 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.069 -5.834 -2.732 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.396 -6.119 -2.196 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.448 -7.497 -2.600 1.00 0.00 H new ATOM 296 N GLN A 105 -4.160 -10.291 1.567 1.00 0.00 N ATOM 297 CA GLN A 105 -4.541 -11.698 1.538 1.00 0.00 C ATOM 298 C GLN A 105 -5.651 -11.983 2.543 1.00 0.00 C ATOM 299 O GLN A 105 -6.477 -12.872 2.336 1.00 0.00 O ATOM 300 CB GLN A 105 -3.329 -12.583 1.834 1.00 0.00 C ATOM 301 CG GLN A 105 -2.559 -12.997 0.591 1.00 0.00 C ATOM 302 CD GLN A 105 -3.205 -14.161 -0.134 1.00 0.00 C ATOM 303 OE1 GLN A 105 -4.249 -14.663 0.280 1.00 0.00 O ATOM 304 NE2 GLN A 105 -2.585 -14.597 -1.224 1.00 0.00 N ATOM 0 H GLN A 105 -3.163 -10.126 1.706 1.00 0.00 H new ATOM 0 HA GLN A 105 -4.913 -11.926 0.539 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -2.657 -12.051 2.507 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -3.663 -13.478 2.359 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -2.486 -12.147 -0.087 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -1.541 -13.268 0.872 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -1.721 -14.151 -1.532 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -2.973 -15.378 -1.754 1.00 0.00 H new ATOM 313 N SER A 106 -5.665 -11.223 3.634 1.00 0.00 N ATOM 314 CA SER A 106 -6.671 -11.397 4.675 1.00 0.00 C ATOM 315 C SER A 106 -8.004 -10.790 4.248 1.00 0.00 C ATOM 316 O SER A 106 -8.043 -9.741 3.605 1.00 0.00 O ATOM 317 CB SER A 106 -6.201 -10.755 5.981 1.00 0.00 C ATOM 318 OG SER A 106 -6.010 -11.731 6.990 1.00 0.00 O ATOM 0 H SER A 106 -4.991 -10.481 3.820 1.00 0.00 H new ATOM 0 HA SER A 106 -6.812 -12.466 4.835 1.00 0.00 H new ATOM 0 HB2 SER A 106 -5.269 -10.217 5.810 1.00 0.00 H new ATOM 0 HB3 SER A 106 -6.936 -10.022 6.314 1.00 0.00 H new ATOM 0 HG SER A 106 -5.708 -11.295 7.814 1.00 0.00 H new ATOM 324 N GLN A 107 -9.095 -11.459 4.610 1.00 0.00 N ATOM 325 CA GLN A 107 -10.430 -10.987 4.263 1.00 0.00 C ATOM 326 C GLN A 107 -11.207 -10.588 5.513 1.00 0.00 C ATOM 327 O GLN A 107 -11.985 -9.635 5.493 1.00 0.00 O ATOM 328 CB GLN A 107 -11.194 -12.068 3.497 1.00 0.00 C ATOM 329 CG GLN A 107 -12.286 -11.518 2.595 1.00 0.00 C ATOM 330 CD GLN A 107 -12.786 -12.540 1.593 1.00 0.00 C ATOM 331 OE1 GLN A 107 -12.455 -13.723 1.678 1.00 0.00 O ATOM 332 NE2 GLN A 107 -13.588 -12.088 0.636 1.00 0.00 N ATOM 0 H GLN A 107 -9.080 -12.329 5.143 1.00 0.00 H new ATOM 0 HA GLN A 107 -10.323 -10.108 3.627 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -10.490 -12.640 2.893 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -11.639 -12.761 4.211 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -13.121 -11.177 3.208 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -11.906 -10.647 2.061 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -13.836 -11.099 0.604 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -13.956 -12.730 -0.067 1.00 0.00 H new ATOM 341 N GLN A 108 -10.991 -11.324 6.599 1.00 0.00 N ATOM 342 CA GLN A 108 -11.672 -11.046 7.858 1.00 0.00 C ATOM 343 C GLN A 108 -11.447 -9.602 8.292 1.00 0.00 C ATOM 344 O GLN A 108 -12.305 -8.995 8.934 1.00 0.00 O ATOM 345 CB GLN A 108 -11.184 -12.001 8.948 1.00 0.00 C ATOM 346 CG GLN A 108 -12.200 -13.069 9.321 1.00 0.00 C ATOM 347 CD GLN A 108 -13.237 -12.568 10.306 1.00 0.00 C ATOM 348 OE1 GLN A 108 -12.967 -12.445 11.502 1.00 0.00 O ATOM 349 NE2 GLN A 108 -14.433 -12.275 9.809 1.00 0.00 N ATOM 0 H GLN A 108 -10.350 -12.117 6.632 1.00 0.00 H new ATOM 0 HA GLN A 108 -12.741 -11.197 7.705 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -10.267 -12.485 8.611 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -10.932 -11.425 9.838 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -12.701 -13.420 8.419 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -11.680 -13.926 9.750 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -14.613 -12.392 8.812 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -15.171 -11.933 10.424 1.00 0.00 H new ATOM 358 N ASP A 109 -10.288 -9.057 7.938 1.00 0.00 N ATOM 359 CA ASP A 109 -9.950 -7.683 8.291 1.00 0.00 C ATOM 360 C ASP A 109 -10.457 -6.709 7.232 1.00 0.00 C ATOM 361 O ASP A 109 -9.694 -5.905 6.697 1.00 0.00 O ATOM 362 CB ASP A 109 -8.437 -7.534 8.455 1.00 0.00 C ATOM 363 CG ASP A 109 -7.924 -8.194 9.719 1.00 0.00 C ATOM 364 OD1 ASP A 109 -8.181 -7.655 10.816 1.00 0.00 O ATOM 365 OD2 ASP A 109 -7.264 -9.249 9.613 1.00 0.00 O ATOM 0 H ASP A 109 -9.567 -9.546 7.407 1.00 0.00 H new ATOM 0 HA ASP A 109 -10.436 -7.447 9.238 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -7.936 -7.971 7.591 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -8.179 -6.475 8.471 1.00 0.00 H new ATOM 370 N ASP A 110 -11.750 -6.788 6.934 1.00 0.00 N ATOM 371 CA ASP A 110 -12.360 -5.914 5.939 1.00 0.00 C ATOM 372 C ASP A 110 -12.137 -4.447 6.295 1.00 0.00 C ATOM 373 O ASP A 110 -11.981 -3.602 5.414 1.00 0.00 O ATOM 374 CB ASP A 110 -13.857 -6.203 5.825 1.00 0.00 C ATOM 375 CG ASP A 110 -14.368 -6.059 4.405 1.00 0.00 C ATOM 376 OD1 ASP A 110 -13.911 -5.134 3.701 1.00 0.00 O ATOM 377 OD2 ASP A 110 -15.225 -6.871 3.998 1.00 0.00 O ATOM 0 H ASP A 110 -12.395 -7.448 7.367 1.00 0.00 H new ATOM 0 HA ASP A 110 -11.886 -6.112 4.978 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -14.057 -7.214 6.179 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -14.406 -5.523 6.476 1.00 0.00 H new ATOM 382 N ILE A 111 -12.125 -4.154 7.591 1.00 0.00 N ATOM 383 CA ILE A 111 -11.922 -2.789 8.062 1.00 0.00 C ATOM 384 C ILE A 111 -10.581 -2.238 7.590 1.00 0.00 C ATOM 385 O ILE A 111 -10.421 -1.030 7.418 1.00 0.00 O ATOM 386 CB ILE A 111 -11.985 -2.710 9.598 1.00 0.00 C ATOM 387 CG1 ILE A 111 -11.853 -1.257 10.062 1.00 0.00 C ATOM 388 CG2 ILE A 111 -10.895 -3.570 10.219 1.00 0.00 C ATOM 389 CD1 ILE A 111 -12.491 -0.991 11.407 1.00 0.00 C ATOM 0 H ILE A 111 -12.253 -4.842 8.333 1.00 0.00 H new ATOM 0 HA ILE A 111 -12.727 -2.186 7.642 1.00 0.00 H new ATOM 0 HB ILE A 111 -12.952 -3.091 9.926 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -10.796 -0.995 10.112 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -12.308 -0.604 9.318 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -10.953 -3.503 11.305 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -11.030 -4.607 9.912 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -9.919 -3.217 9.886 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -12.359 0.058 11.671 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -13.555 -1.221 11.357 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -12.020 -1.618 12.164 1.00 0.00 H new ATOM 401 N ASP A 112 -9.621 -3.133 7.380 1.00 0.00 N ATOM 402 CA ASP A 112 -8.294 -2.737 6.925 1.00 0.00 C ATOM 403 C ASP A 112 -8.134 -2.992 5.429 1.00 0.00 C ATOM 404 O ASP A 112 -7.343 -2.330 4.758 1.00 0.00 O ATOM 405 CB ASP A 112 -7.217 -3.496 7.702 1.00 0.00 C ATOM 406 CG ASP A 112 -5.905 -2.739 7.763 1.00 0.00 C ATOM 407 OD1 ASP A 112 -5.853 -1.600 7.255 1.00 0.00 O ATOM 408 OD2 ASP A 112 -4.931 -3.286 8.322 1.00 0.00 O ATOM 0 H ASP A 112 -9.738 -4.137 7.518 1.00 0.00 H new ATOM 0 HA ASP A 112 -8.178 -1.669 7.108 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -7.571 -3.687 8.715 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -7.052 -4.467 7.234 1.00 0.00 H new ATOM 413 N PHE A 113 -8.890 -3.956 4.915 1.00 0.00 N ATOM 414 CA PHE A 113 -8.831 -4.299 3.499 1.00 0.00 C ATOM 415 C PHE A 113 -9.012 -3.058 2.629 1.00 0.00 C ATOM 416 O PHE A 113 -8.208 -2.788 1.737 1.00 0.00 O ATOM 417 CB PHE A 113 -9.905 -5.335 3.158 1.00 0.00 C ATOM 418 CG PHE A 113 -9.763 -5.915 1.780 1.00 0.00 C ATOM 419 CD1 PHE A 113 -8.675 -6.710 1.457 1.00 0.00 C ATOM 420 CD2 PHE A 113 -10.718 -5.665 0.807 1.00 0.00 C ATOM 421 CE1 PHE A 113 -8.542 -7.244 0.190 1.00 0.00 C ATOM 422 CE2 PHE A 113 -10.590 -6.197 -0.461 1.00 0.00 C ATOM 423 CZ PHE A 113 -9.501 -6.988 -0.770 1.00 0.00 C ATOM 0 H PHE A 113 -9.550 -4.513 5.457 1.00 0.00 H new ATOM 0 HA PHE A 113 -7.848 -4.723 3.295 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -9.865 -6.142 3.889 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -10.887 -4.871 3.249 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -7.923 -6.914 2.204 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -11.572 -5.047 1.043 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -7.689 -7.861 -0.050 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -11.341 -5.995 -1.210 1.00 0.00 H new ATOM 0 HZ PHE A 113 -9.400 -7.406 -1.761 1.00 0.00 H new ATOM 433 N LYS A 114 -10.074 -2.306 2.897 1.00 0.00 N ATOM 434 CA LYS A 114 -10.362 -1.092 2.141 1.00 0.00 C ATOM 435 C LYS A 114 -9.283 -0.039 2.371 1.00 0.00 C ATOM 436 O LYS A 114 -8.922 0.703 1.458 1.00 0.00 O ATOM 437 CB LYS A 114 -11.730 -0.532 2.538 1.00 0.00 C ATOM 438 CG LYS A 114 -11.804 -0.078 3.987 1.00 0.00 C ATOM 439 CD LYS A 114 -13.231 -0.106 4.507 1.00 0.00 C ATOM 440 CE LYS A 114 -13.364 0.667 5.810 1.00 0.00 C ATOM 441 NZ LYS A 114 -14.670 0.410 6.477 1.00 0.00 N ATOM 0 H LYS A 114 -10.750 -2.515 3.632 1.00 0.00 H new ATOM 0 HA LYS A 114 -10.375 -1.348 1.082 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -11.971 0.310 1.889 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -12.490 -1.295 2.366 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -11.178 -0.723 4.604 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -11.404 0.932 4.074 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -13.900 0.320 3.760 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -13.543 -1.139 4.662 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -12.552 0.388 6.482 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -13.261 1.734 5.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -14.721 0.955 7.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -15.445 0.699 5.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -14.757 -0.604 6.690 1.00 0.00 H new ATOM 455 N ARG A 115 -8.771 0.019 3.597 1.00 0.00 N ATOM 456 CA ARG A 115 -7.733 0.982 3.946 1.00 0.00 C ATOM 457 C ARG A 115 -6.506 0.805 3.055 1.00 0.00 C ATOM 458 O ARG A 115 -5.951 1.779 2.547 1.00 0.00 O ATOM 459 CB ARG A 115 -7.337 0.825 5.415 1.00 0.00 C ATOM 460 CG ARG A 115 -8.442 1.202 6.387 1.00 0.00 C ATOM 461 CD ARG A 115 -8.527 2.708 6.578 1.00 0.00 C ATOM 462 NE ARG A 115 -9.811 3.117 7.142 1.00 0.00 N ATOM 463 CZ ARG A 115 -10.168 2.886 8.400 1.00 0.00 C ATOM 464 NH1 ARG A 115 -9.341 2.253 9.222 1.00 0.00 N ATOM 465 NH2 ARG A 115 -11.353 3.289 8.841 1.00 0.00 N ATOM 0 H ARG A 115 -9.058 -0.589 4.364 1.00 0.00 H new ATOM 0 HA ARG A 115 -8.133 1.984 3.789 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -7.044 -0.209 5.595 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -6.462 1.444 5.615 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -9.396 0.827 6.018 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -8.261 0.722 7.349 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -7.722 3.036 7.235 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -8.378 3.204 5.619 1.00 0.00 H new ATOM 0 HE ARG A 115 -10.469 3.607 6.536 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -8.429 1.943 8.888 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -9.618 2.077 10.188 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -11.992 3.777 8.213 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -11.625 3.110 9.808 1.00 0.00 H new ATOM 479 N ALA A 116 -6.089 -0.443 2.872 1.00 0.00 N ATOM 480 CA ALA A 116 -4.930 -0.747 2.043 1.00 0.00 C ATOM 481 C ALA A 116 -5.153 -0.300 0.602 1.00 0.00 C ATOM 482 O ALA A 116 -4.201 -0.022 -0.125 1.00 0.00 O ATOM 483 CB ALA A 116 -4.620 -2.236 2.093 1.00 0.00 C ATOM 0 H ALA A 116 -6.537 -1.260 3.287 1.00 0.00 H new ATOM 0 HA ALA A 116 -4.077 -0.196 2.439 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -3.752 -2.448 1.469 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -4.408 -2.529 3.121 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -5.478 -2.799 1.725 1.00 0.00 H new ATOM 489 N GLU A 117 -6.418 -0.234 0.197 1.00 0.00 N ATOM 490 CA GLU A 117 -6.765 0.178 -1.157 1.00 0.00 C ATOM 491 C GLU A 117 -6.495 1.667 -1.359 1.00 0.00 C ATOM 492 O GLU A 117 -5.798 2.062 -2.294 1.00 0.00 O ATOM 493 CB GLU A 117 -8.235 -0.129 -1.447 1.00 0.00 C ATOM 494 CG GLU A 117 -8.563 -0.196 -2.929 1.00 0.00 C ATOM 495 CD GLU A 117 -10.055 -0.199 -3.197 1.00 0.00 C ATOM 496 OE1 GLU A 117 -10.794 -0.859 -2.438 1.00 0.00 O ATOM 497 OE2 GLU A 117 -10.484 0.460 -4.168 1.00 0.00 O ATOM 0 H GLU A 117 -7.218 -0.461 0.787 1.00 0.00 H new ATOM 0 HA GLU A 117 -6.141 -0.384 -1.851 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -8.497 -1.079 -0.982 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -8.856 0.636 -0.981 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -8.108 0.655 -3.437 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -8.119 -1.096 -3.355 1.00 0.00 H new ATOM 504 N LEU A 118 -7.054 2.488 -0.476 1.00 0.00 N ATOM 505 CA LEU A 118 -6.875 3.933 -0.556 1.00 0.00 C ATOM 506 C LEU A 118 -5.409 4.312 -0.377 1.00 0.00 C ATOM 507 O LEU A 118 -4.885 5.166 -1.092 1.00 0.00 O ATOM 508 CB LEU A 118 -7.728 4.632 0.504 1.00 0.00 C ATOM 509 CG LEU A 118 -9.228 4.707 0.218 1.00 0.00 C ATOM 510 CD1 LEU A 118 -9.980 5.215 1.437 1.00 0.00 C ATOM 511 CD2 LEU A 118 -9.496 5.599 -0.986 1.00 0.00 C ATOM 0 H LEU A 118 -7.635 2.177 0.303 1.00 0.00 H new ATOM 0 HA LEU A 118 -7.196 4.259 -1.545 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -7.585 4.117 1.454 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -7.352 5.647 0.632 1.00 0.00 H new ATOM 0 HG LEU A 118 -9.586 3.703 -0.010 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -11.046 5.261 1.214 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -9.814 4.538 2.275 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -9.620 6.210 1.698 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -10.569 5.641 -1.176 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -9.123 6.603 -0.785 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -8.989 5.192 -1.861 1.00 0.00 H new ATOM 523 N ALA A 119 -4.750 3.668 0.580 1.00 0.00 N ATOM 524 CA ALA A 119 -3.342 3.934 0.852 1.00 0.00 C ATOM 525 C ALA A 119 -2.476 3.587 -0.354 1.00 0.00 C ATOM 526 O ALA A 119 -1.594 4.356 -0.740 1.00 0.00 O ATOM 527 CB ALA A 119 -2.884 3.154 2.075 1.00 0.00 C ATOM 0 H ALA A 119 -5.168 2.958 1.181 1.00 0.00 H new ATOM 0 HA ALA A 119 -3.231 5.000 1.052 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -1.831 3.362 2.266 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -3.476 3.453 2.940 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -3.016 2.087 1.896 1.00 0.00 H new ATOM 533 N LEU A 120 -2.733 2.426 -0.945 1.00 0.00 N ATOM 534 CA LEU A 120 -1.976 1.977 -2.109 1.00 0.00 C ATOM 535 C LEU A 120 -2.109 2.967 -3.262 1.00 0.00 C ATOM 536 O LEU A 120 -1.130 3.289 -3.934 1.00 0.00 O ATOM 537 CB LEU A 120 -2.456 0.593 -2.551 1.00 0.00 C ATOM 538 CG LEU A 120 -1.651 -0.071 -3.669 1.00 0.00 C ATOM 539 CD1 LEU A 120 -0.189 -0.196 -3.271 1.00 0.00 C ATOM 540 CD2 LEU A 120 -2.233 -1.436 -4.006 1.00 0.00 C ATOM 0 H LEU A 120 -3.459 1.778 -0.638 1.00 0.00 H new ATOM 0 HA LEU A 120 -0.925 1.917 -1.827 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -2.448 -0.067 -1.683 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -3.493 0.677 -2.877 1.00 0.00 H new ATOM 0 HG LEU A 120 -1.712 0.557 -4.558 1.00 0.00 H new ATOM 0 HD11 LEU A 120 0.369 -0.671 -4.078 1.00 0.00 H new ATOM 0 HD12 LEU A 120 0.222 0.795 -3.080 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -0.108 -0.802 -2.369 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -1.648 -1.894 -4.803 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -2.203 -2.073 -3.122 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -3.266 -1.320 -4.334 1.00 0.00 H new ATOM 552 N LYS A 121 -3.328 3.448 -3.483 1.00 0.00 N ATOM 553 CA LYS A 121 -3.590 4.405 -4.552 1.00 0.00 C ATOM 554 C LYS A 121 -2.724 5.650 -4.393 1.00 0.00 C ATOM 555 O LYS A 121 -2.113 6.119 -5.353 1.00 0.00 O ATOM 556 CB LYS A 121 -5.070 4.798 -4.560 1.00 0.00 C ATOM 557 CG LYS A 121 -5.545 5.349 -5.893 1.00 0.00 C ATOM 558 CD LYS A 121 -6.878 6.064 -5.757 1.00 0.00 C ATOM 559 CE LYS A 121 -8.033 5.078 -5.662 1.00 0.00 C ATOM 560 NZ LYS A 121 -9.333 5.766 -5.431 1.00 0.00 N ATOM 0 H LYS A 121 -4.150 3.191 -2.936 1.00 0.00 H new ATOM 0 HA LYS A 121 -3.340 3.930 -5.501 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -5.670 3.926 -4.302 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -5.243 5.545 -3.785 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -4.800 6.039 -6.289 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -5.639 4.535 -6.612 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -6.864 6.696 -4.869 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -7.029 6.721 -6.614 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -8.089 4.495 -6.581 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -7.845 4.376 -4.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -10.094 5.060 -5.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -9.289 6.302 -4.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -9.526 6.418 -6.218 1.00 0.00 H new ATOM 574 N ARG A 122 -2.674 6.179 -3.175 1.00 0.00 N ATOM 575 CA ARG A 122 -1.881 7.369 -2.890 1.00 0.00 C ATOM 576 C ARG A 122 -0.392 7.082 -3.053 1.00 0.00 C ATOM 577 O ARG A 122 0.379 7.954 -3.453 1.00 0.00 O ATOM 578 CB ARG A 122 -2.164 7.869 -1.473 1.00 0.00 C ATOM 579 CG ARG A 122 -1.996 9.371 -1.312 1.00 0.00 C ATOM 580 CD ARG A 122 -2.779 9.895 -0.117 1.00 0.00 C ATOM 581 NE ARG A 122 -2.201 11.124 0.419 1.00 0.00 N ATOM 582 CZ ARG A 122 -2.243 12.292 -0.211 1.00 0.00 C ATOM 583 NH1 ARG A 122 -2.833 12.390 -1.395 1.00 0.00 N ATOM 584 NH2 ARG A 122 -1.695 13.366 0.343 1.00 0.00 N ATOM 0 H ARG A 122 -3.173 5.802 -2.369 1.00 0.00 H new ATOM 0 HA ARG A 122 -2.164 8.143 -3.604 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -3.182 7.594 -1.196 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -1.496 7.361 -0.777 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -0.939 9.609 -1.189 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -2.332 9.875 -2.218 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -3.812 10.079 -0.413 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -2.802 9.134 0.663 1.00 0.00 H new ATOM 0 HE ARG A 122 -1.739 11.083 1.328 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -3.256 11.567 -1.824 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -2.864 13.289 -1.877 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -1.241 13.295 1.254 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -1.728 14.263 -0.142 1.00 0.00 H new ATOM 598 N ALA A 123 0.006 5.853 -2.739 1.00 0.00 N ATOM 599 CA ALA A 123 1.403 5.451 -2.851 1.00 0.00 C ATOM 600 C ALA A 123 1.870 5.489 -4.302 1.00 0.00 C ATOM 601 O ALA A 123 2.978 5.938 -4.595 1.00 0.00 O ATOM 602 CB ALA A 123 1.600 4.059 -2.268 1.00 0.00 C ATOM 0 H ALA A 123 -0.619 5.119 -2.405 1.00 0.00 H new ATOM 0 HA ALA A 123 2.006 6.160 -2.283 1.00 0.00 H new ATOM 0 HB1 ALA A 123 2.648 3.772 -2.358 1.00 0.00 H new ATOM 0 HB2 ALA A 123 1.314 4.061 -1.216 1.00 0.00 H new ATOM 0 HB3 ALA A 123 0.980 3.346 -2.811 1.00 0.00 H new ATOM 608 N MET A 124 1.019 5.015 -5.206 1.00 0.00 N ATOM 609 CA MET A 124 1.345 4.996 -6.627 1.00 0.00 C ATOM 610 C MET A 124 1.511 6.414 -7.166 1.00 0.00 C ATOM 611 O MET A 124 2.504 6.727 -7.821 1.00 0.00 O ATOM 612 CB MET A 124 0.256 4.264 -7.413 1.00 0.00 C ATOM 613 CG MET A 124 0.747 2.996 -8.094 1.00 0.00 C ATOM 614 SD MET A 124 -0.145 2.638 -9.620 1.00 0.00 S ATOM 615 CE MET A 124 1.109 3.012 -10.841 1.00 0.00 C ATOM 0 H MET A 124 0.098 4.639 -4.980 1.00 0.00 H new ATOM 0 HA MET A 124 2.290 4.466 -6.750 1.00 0.00 H new ATOM 0 HB2 MET A 124 -0.561 4.011 -6.737 1.00 0.00 H new ATOM 0 HB3 MET A 124 -0.151 4.937 -8.167 1.00 0.00 H new ATOM 0 HG2 MET A 124 1.810 3.094 -8.314 1.00 0.00 H new ATOM 0 HG3 MET A 124 0.639 2.155 -7.409 1.00 0.00 H new ATOM 0 HE1 MET A 124 0.708 2.839 -11.840 1.00 0.00 H new ATOM 0 HE2 MET A 124 1.409 4.056 -10.746 1.00 0.00 H new ATOM 0 HE3 MET A 124 1.975 2.370 -10.682 1.00 0.00 H new ATOM 625 N ASN A 125 0.531 7.267 -6.885 1.00 0.00 N ATOM 626 CA ASN A 125 0.569 8.651 -7.342 1.00 0.00 C ATOM 627 C ASN A 125 1.781 9.381 -6.770 1.00 0.00 C ATOM 628 O ASN A 125 2.408 10.192 -7.451 1.00 0.00 O ATOM 629 CB ASN A 125 -0.715 9.379 -6.939 1.00 0.00 C ATOM 630 CG ASN A 125 -0.896 10.688 -7.683 1.00 0.00 C ATOM 631 OD1 ASN A 125 -1.376 10.710 -8.817 1.00 0.00 O ATOM 632 ND2 ASN A 125 -0.511 11.788 -7.046 1.00 0.00 N ATOM 0 H ASN A 125 -0.298 7.024 -6.343 1.00 0.00 H new ATOM 0 HA ASN A 125 0.650 8.645 -8.429 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -1.571 8.733 -7.132 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -0.698 9.573 -5.867 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -0.608 12.698 -7.496 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -0.118 11.723 -6.107 1.00 0.00 H new ATOM 639 N ARG A 126 2.104 9.085 -5.516 1.00 0.00 N ATOM 640 CA ARG A 126 3.240 9.713 -4.851 1.00 0.00 C ATOM 641 C ARG A 126 4.556 9.237 -5.460 1.00 0.00 C ATOM 642 O ARG A 126 5.430 10.042 -5.783 1.00 0.00 O ATOM 643 CB ARG A 126 3.217 9.404 -3.353 1.00 0.00 C ATOM 644 CG ARG A 126 4.028 10.381 -2.518 1.00 0.00 C ATOM 645 CD ARG A 126 3.218 11.619 -2.166 1.00 0.00 C ATOM 646 NE ARG A 126 3.505 12.096 -0.816 1.00 0.00 N ATOM 647 CZ ARG A 126 3.049 13.245 -0.330 1.00 0.00 C ATOM 648 NH1 ARG A 126 2.287 14.030 -1.080 1.00 0.00 N ATOM 649 NH2 ARG A 126 3.353 13.610 0.908 1.00 0.00 N ATOM 0 H ARG A 126 1.596 8.414 -4.940 1.00 0.00 H new ATOM 0 HA ARG A 126 3.162 10.791 -4.993 1.00 0.00 H new ATOM 0 HB2 ARG A 126 2.184 9.411 -3.005 1.00 0.00 H new ATOM 0 HB3 ARG A 126 3.600 8.396 -3.192 1.00 0.00 H new ATOM 0 HG2 ARG A 126 4.361 9.891 -1.603 1.00 0.00 H new ATOM 0 HG3 ARG A 126 4.923 10.674 -3.066 1.00 0.00 H new ATOM 0 HD2 ARG A 126 3.435 12.410 -2.884 1.00 0.00 H new ATOM 0 HD3 ARG A 126 2.155 11.393 -2.252 1.00 0.00 H new ATOM 0 HE ARG A 126 4.088 11.515 -0.213 1.00 0.00 H new ATOM 0 HH11 ARG A 126 2.050 13.752 -2.032 1.00 0.00 H new ATOM 0 HH12 ARG A 126 1.938 14.912 -0.704 1.00 0.00 H new ATOM 0 HH21 ARG A 126 3.938 13.008 1.488 1.00 0.00 H new ATOM 0 HH22 ARG A 126 3.002 14.493 1.280 1.00 0.00 H new ATOM 663 N LEU A 127 4.691 7.924 -5.611 1.00 0.00 N ATOM 664 CA LEU A 127 5.901 7.340 -6.179 1.00 0.00 C ATOM 665 C LEU A 127 6.147 7.863 -7.592 1.00 0.00 C ATOM 666 O LEU A 127 7.278 8.179 -7.960 1.00 0.00 O ATOM 667 CB LEU A 127 5.793 5.814 -6.200 1.00 0.00 C ATOM 668 CG LEU A 127 7.115 5.047 -6.138 1.00 0.00 C ATOM 669 CD1 LEU A 127 7.411 4.607 -4.714 1.00 0.00 C ATOM 670 CD2 LEU A 127 7.079 3.847 -7.074 1.00 0.00 C ATOM 0 H LEU A 127 3.978 7.244 -5.348 1.00 0.00 H new ATOM 0 HA LEU A 127 6.744 7.630 -5.552 1.00 0.00 H new ATOM 0 HB2 LEU A 127 5.175 5.502 -5.358 1.00 0.00 H new ATOM 0 HB3 LEU A 127 5.267 5.519 -7.108 1.00 0.00 H new ATOM 0 HG LEU A 127 7.915 5.712 -6.463 1.00 0.00 H new ATOM 0 HD11 LEU A 127 8.355 4.063 -4.690 1.00 0.00 H new ATOM 0 HD12 LEU A 127 7.481 5.483 -4.069 1.00 0.00 H new ATOM 0 HD13 LEU A 127 6.610 3.959 -4.360 1.00 0.00 H new ATOM 0 HD21 LEU A 127 8.027 3.313 -7.017 1.00 0.00 H new ATOM 0 HD22 LEU A 127 6.269 3.180 -6.780 1.00 0.00 H new ATOM 0 HD23 LEU A 127 6.915 4.188 -8.096 1.00 0.00 H new ATOM 682 N SER A 128 5.079 7.953 -8.378 1.00 0.00 N ATOM 683 CA SER A 128 5.178 8.436 -9.750 1.00 0.00 C ATOM 684 C SER A 128 5.744 9.852 -9.787 1.00 0.00 C ATOM 685 O SER A 128 6.705 10.130 -10.505 1.00 0.00 O ATOM 686 CB SER A 128 3.805 8.405 -10.425 1.00 0.00 C ATOM 687 OG SER A 128 3.734 9.349 -11.479 1.00 0.00 O ATOM 0 H SER A 128 4.135 7.698 -8.088 1.00 0.00 H new ATOM 0 HA SER A 128 5.856 7.778 -10.293 1.00 0.00 H new ATOM 0 HB2 SER A 128 3.610 7.406 -10.814 1.00 0.00 H new ATOM 0 HB3 SER A 128 3.030 8.618 -9.689 1.00 0.00 H new ATOM 0 HG SER A 128 2.848 9.309 -11.895 1.00 0.00 H new ATOM 693 N VAL A 129 5.141 10.745 -9.008 1.00 0.00 N ATOM 694 CA VAL A 129 5.585 12.132 -8.951 1.00 0.00 C ATOM 695 C VAL A 129 7.028 12.228 -8.470 1.00 0.00 C ATOM 696 O VAL A 129 7.785 13.092 -8.913 1.00 0.00 O ATOM 697 CB VAL A 129 4.688 12.970 -8.020 1.00 0.00 C ATOM 698 CG1 VAL A 129 5.178 14.408 -7.958 1.00 0.00 C ATOM 699 CG2 VAL A 129 3.240 12.911 -8.482 1.00 0.00 C ATOM 0 H VAL A 129 4.344 10.532 -8.408 1.00 0.00 H new ATOM 0 HA VAL A 129 5.516 12.528 -9.964 1.00 0.00 H new ATOM 0 HB VAL A 129 4.743 12.550 -7.016 1.00 0.00 H new ATOM 0 HG11 VAL A 129 4.532 14.984 -7.296 1.00 0.00 H new ATOM 0 HG12 VAL A 129 6.199 14.428 -7.577 1.00 0.00 H new ATOM 0 HG13 VAL A 129 5.155 14.844 -8.957 1.00 0.00 H new ATOM 0 HG21 VAL A 129 2.620 13.508 -7.813 1.00 0.00 H new ATOM 0 HG22 VAL A 129 3.165 13.305 -9.495 1.00 0.00 H new ATOM 0 HG23 VAL A 129 2.896 11.877 -8.469 1.00 0.00 H new ATOM 709 N ALA A 130 7.404 11.335 -7.561 1.00 0.00 N ATOM 710 CA ALA A 130 8.757 11.317 -7.020 1.00 0.00 C ATOM 711 C ALA A 130 9.790 11.160 -8.131 1.00 0.00 C ATOM 712 O ALA A 130 10.706 11.971 -8.259 1.00 0.00 O ATOM 713 CB ALA A 130 8.904 10.199 -5.999 1.00 0.00 C ATOM 0 H ALA A 130 6.790 10.614 -7.183 1.00 0.00 H new ATOM 0 HA ALA A 130 8.936 12.271 -6.525 1.00 0.00 H new ATOM 0 HB1 ALA A 130 9.920 10.198 -5.604 1.00 0.00 H new ATOM 0 HB2 ALA A 130 8.198 10.356 -5.184 1.00 0.00 H new ATOM 0 HB3 ALA A 130 8.700 9.241 -6.477 1.00 0.00 H new ATOM 719 N GLU A 131 9.634 10.110 -8.933 1.00 0.00 N ATOM 720 CA GLU A 131 10.555 9.846 -10.033 1.00 0.00 C ATOM 721 C GLU A 131 10.726 11.085 -10.908 1.00 0.00 C ATOM 722 O GLU A 131 11.824 11.628 -11.026 1.00 0.00 O ATOM 723 CB GLU A 131 10.052 8.675 -10.879 1.00 0.00 C ATOM 724 CG GLU A 131 11.040 7.525 -10.976 1.00 0.00 C ATOM 725 CD GLU A 131 10.358 6.185 -11.169 1.00 0.00 C ATOM 726 OE1 GLU A 131 9.659 5.736 -10.236 1.00 0.00 O ATOM 727 OE2 GLU A 131 10.523 5.585 -12.252 1.00 0.00 O ATOM 0 H GLU A 131 8.880 9.430 -8.841 1.00 0.00 H new ATOM 0 HA GLU A 131 11.524 9.586 -9.608 1.00 0.00 H new ATOM 0 HB2 GLU A 131 9.118 8.306 -10.454 1.00 0.00 H new ATOM 0 HB3 GLU A 131 9.826 9.034 -11.883 1.00 0.00 H new ATOM 0 HG2 GLU A 131 11.721 7.705 -11.808 1.00 0.00 H new ATOM 0 HG3 GLU A 131 11.645 7.493 -10.070 1.00 0.00 H new ATOM 734 N MET A 132 9.631 11.524 -11.520 1.00 0.00 N ATOM 735 CA MET A 132 9.659 12.699 -12.385 1.00 0.00 C ATOM 736 C MET A 132 9.323 13.961 -11.598 1.00 0.00 C ATOM 737 O MET A 132 8.575 14.818 -12.068 1.00 0.00 O ATOM 738 CB MET A 132 8.675 12.529 -13.543 1.00 0.00 C ATOM 739 CG MET A 132 9.031 11.387 -14.481 1.00 0.00 C ATOM 740 SD MET A 132 10.154 11.894 -15.798 1.00 0.00 S ATOM 741 CE MET A 132 9.273 11.302 -17.241 1.00 0.00 C ATOM 0 H MET A 132 8.714 11.085 -11.434 1.00 0.00 H new ATOM 0 HA MET A 132 10.667 12.800 -12.786 1.00 0.00 H new ATOM 0 HB2 MET A 132 7.677 12.359 -13.139 1.00 0.00 H new ATOM 0 HB3 MET A 132 8.634 13.457 -14.113 1.00 0.00 H new ATOM 0 HG2 MET A 132 9.489 10.581 -13.908 1.00 0.00 H new ATOM 0 HG3 MET A 132 8.118 10.986 -14.921 1.00 0.00 H new ATOM 0 HE1 MET A 132 9.843 11.541 -18.139 1.00 0.00 H new ATOM 0 HE2 MET A 132 9.143 10.222 -17.171 1.00 0.00 H new ATOM 0 HE3 MET A 132 8.296 11.782 -17.293 1.00 0.00 H new ATOM 751 N LYS A 133 9.881 14.070 -10.396 1.00 0.00 N ATOM 752 CA LYS A 133 9.642 15.228 -9.543 1.00 0.00 C ATOM 753 C LYS A 133 10.185 16.500 -10.187 1.00 0.00 C ATOM 754 O LYS A 133 10.972 16.441 -11.132 1.00 0.00 O ATOM 755 CB LYS A 133 10.290 15.020 -8.173 1.00 0.00 C ATOM 756 CG LYS A 133 10.152 16.216 -7.247 1.00 0.00 C ATOM 757 CD LYS A 133 10.844 15.974 -5.916 1.00 0.00 C ATOM 758 CE LYS A 133 10.243 16.830 -4.812 1.00 0.00 C ATOM 759 NZ LYS A 133 11.285 17.602 -4.079 1.00 0.00 N ATOM 0 H LYS A 133 10.502 13.370 -9.991 1.00 0.00 H new ATOM 0 HA LYS A 133 8.565 15.338 -9.416 1.00 0.00 H new ATOM 0 HB2 LYS A 133 9.841 14.149 -7.697 1.00 0.00 H new ATOM 0 HB3 LYS A 133 11.348 14.798 -8.311 1.00 0.00 H new ATOM 0 HG2 LYS A 133 10.578 17.098 -7.725 1.00 0.00 H new ATOM 0 HG3 LYS A 133 9.096 16.425 -7.076 1.00 0.00 H new ATOM 0 HD2 LYS A 133 10.761 14.921 -5.648 1.00 0.00 H new ATOM 0 HD3 LYS A 133 11.907 16.195 -6.012 1.00 0.00 H new ATOM 0 HE2 LYS A 133 9.516 17.519 -5.242 1.00 0.00 H new ATOM 0 HE3 LYS A 133 9.703 16.193 -4.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 10.835 18.173 -3.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 11.965 16.944 -3.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 11.783 18.229 -4.742 1.00 0.00 H new