USER MOD reduce.3.24.130724 H: found=0, std=0, add=350, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 351 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= -0.541 K(o=-0.54,f=-1.3) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0.0431 K(o=0.043,f=-1.6) USER MOD Single : A 108 GLN : amide:sc= -0.177 K(o=-0.18,f=-0.8) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ -158:sc= -0.0152 (180deg=-0.64) 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 ----------------------------------------------------------------- ATOM 1 N ILE A 88 -16.413 -30.409 1.320 1.00 0.00 N ATOM 2 CA ILE A 88 -17.069 -29.209 0.816 1.00 0.00 C ATOM 3 C ILE A 88 -16.674 -27.984 1.633 1.00 0.00 C ATOM 4 O ILE A 88 -16.656 -26.864 1.122 1.00 0.00 O ATOM 5 CB ILE A 88 -18.602 -29.354 0.838 1.00 0.00 C ATOM 6 CG1 ILE A 88 -19.022 -30.658 0.157 1.00 0.00 C ATOM 7 CG2 ILE A 88 -19.257 -28.160 0.158 1.00 0.00 C ATOM 8 CD1 ILE A 88 -20.509 -30.927 0.231 1.00 0.00 C ATOM 0 HA ILE A 88 -16.740 -29.078 -0.215 1.00 0.00 H new ATOM 0 HB ILE A 88 -18.935 -29.384 1.876 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -18.718 -30.626 -0.889 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -18.487 -31.488 0.619 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -20.340 -28.277 0.182 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -18.979 -27.245 0.682 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -18.921 -28.101 -0.877 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -20.734 -31.867 -0.272 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -20.816 -30.991 1.275 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -21.050 -30.116 -0.257 1.00 0.00 H new ATOM 20 N ASP A 89 -16.357 -28.204 2.904 1.00 0.00 N ATOM 21 CA ASP A 89 -15.959 -27.118 3.792 1.00 0.00 C ATOM 22 C ASP A 89 -14.582 -26.583 3.413 1.00 0.00 C ATOM 23 O ASP A 89 -14.283 -25.407 3.620 1.00 0.00 O ATOM 24 CB ASP A 89 -15.952 -27.596 5.245 1.00 0.00 C ATOM 25 CG ASP A 89 -16.385 -26.511 6.213 1.00 0.00 C ATOM 26 OD1 ASP A 89 -17.529 -26.025 6.087 1.00 0.00 O ATOM 27 OD2 ASP A 89 -15.581 -26.150 7.097 1.00 0.00 O ATOM 0 H ASP A 89 -16.368 -29.125 3.343 1.00 0.00 H new ATOM 0 HA ASP A 89 -16.684 -26.311 3.686 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -16.616 -28.455 5.345 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -14.950 -27.935 5.508 1.00 0.00 H new ATOM 32 N VAL A 90 -13.747 -27.454 2.856 1.00 0.00 N ATOM 33 CA VAL A 90 -12.401 -27.070 2.448 1.00 0.00 C ATOM 34 C VAL A 90 -12.435 -25.886 1.488 1.00 0.00 C ATOM 35 O VAL A 90 -11.542 -25.037 1.499 1.00 0.00 O ATOM 36 CB VAL A 90 -11.662 -28.241 1.774 1.00 0.00 C ATOM 37 CG1 VAL A 90 -11.493 -29.397 2.748 1.00 0.00 C ATOM 38 CG2 VAL A 90 -12.405 -28.691 0.526 1.00 0.00 C ATOM 0 H VAL A 90 -13.979 -28.431 2.677 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.865 -26.786 3.354 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.671 -27.899 1.477 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -10.969 -30.215 2.254 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.916 -29.064 3.611 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.473 -29.741 3.078 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -11.869 -29.519 0.062 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -13.409 -29.016 0.798 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -12.470 -27.861 -0.178 1.00 0.00 H new ATOM 48 N LEU A 91 -13.472 -25.833 0.659 1.00 0.00 N ATOM 49 CA LEU A 91 -13.624 -24.752 -0.308 1.00 0.00 C ATOM 50 C LEU A 91 -13.647 -23.396 0.391 1.00 0.00 C ATOM 51 O LEU A 91 -13.118 -22.411 -0.125 1.00 0.00 O ATOM 52 CB LEU A 91 -14.907 -24.942 -1.118 1.00 0.00 C ATOM 53 CG LEU A 91 -15.017 -24.123 -2.404 1.00 0.00 C ATOM 54 CD1 LEU A 91 -14.395 -24.875 -3.571 1.00 0.00 C ATOM 55 CD2 LEU A 91 -16.471 -23.784 -2.699 1.00 0.00 C ATOM 0 H LEU A 91 -14.220 -26.526 0.637 1.00 0.00 H new ATOM 0 HA LEU A 91 -12.768 -24.779 -0.983 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -14.998 -25.997 -1.374 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -15.755 -24.695 -0.480 1.00 0.00 H new ATOM 0 HG LEU A 91 -14.469 -23.191 -2.266 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -14.483 -24.276 -4.478 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -13.342 -25.065 -3.362 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -14.914 -25.823 -3.711 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -16.529 -23.201 -3.618 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -17.043 -24.705 -2.816 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -16.884 -23.203 -1.874 1.00 0.00 H new ATOM 67 N ARG A 92 -14.263 -23.353 1.568 1.00 0.00 N ATOM 68 CA ARG A 92 -14.354 -22.118 2.338 1.00 0.00 C ATOM 69 C ARG A 92 -12.972 -21.511 2.559 1.00 0.00 C ATOM 70 O ARG A 92 -12.794 -20.297 2.468 1.00 0.00 O ATOM 71 CB ARG A 92 -15.028 -22.381 3.686 1.00 0.00 C ATOM 72 CG ARG A 92 -16.482 -22.809 3.566 1.00 0.00 C ATOM 73 CD ARG A 92 -17.370 -21.650 3.141 1.00 0.00 C ATOM 74 NE ARG A 92 -17.486 -20.637 4.186 1.00 0.00 N ATOM 75 CZ ARG A 92 -18.308 -20.742 5.225 1.00 0.00 C ATOM 76 NH1 ARG A 92 -19.082 -21.811 5.356 1.00 0.00 N ATOM 77 NH2 ARG A 92 -18.357 -19.777 6.134 1.00 0.00 N ATOM 0 H ARG A 92 -14.706 -24.159 2.009 1.00 0.00 H new ATOM 0 HA ARG A 92 -14.956 -21.409 1.770 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -14.473 -23.155 4.216 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -14.973 -21.477 4.293 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -16.566 -23.618 2.840 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -16.827 -23.202 4.522 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -16.964 -21.194 2.238 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -18.362 -22.026 2.890 1.00 0.00 H new ATOM 0 HE ARG A 92 -16.904 -19.802 4.115 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -19.047 -22.554 4.659 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -19.712 -21.890 6.154 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -17.763 -18.953 6.036 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -18.988 -19.859 6.931 1.00 0.00 H new ATOM 91 N ALA A 93 -11.995 -22.366 2.848 1.00 0.00 N ATOM 92 CA ALA A 93 -10.629 -21.914 3.080 1.00 0.00 C ATOM 93 C ALA A 93 -10.065 -21.215 1.848 1.00 0.00 C ATOM 94 O ALA A 93 -9.190 -20.356 1.954 1.00 0.00 O ATOM 95 CB ALA A 93 -9.745 -23.088 3.474 1.00 0.00 C ATOM 0 H ALA A 93 -12.125 -23.375 2.927 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.645 -21.194 3.898 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -8.727 -22.736 3.644 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -10.129 -23.543 4.387 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -9.744 -23.828 2.673 1.00 0.00 H new ATOM 101 N LYS A 94 -10.572 -21.589 0.677 1.00 0.00 N ATOM 102 CA LYS A 94 -10.120 -20.998 -0.577 1.00 0.00 C ATOM 103 C LYS A 94 -10.516 -19.527 -0.659 1.00 0.00 C ATOM 104 O LYS A 94 -9.793 -18.710 -1.228 1.00 0.00 O ATOM 105 CB LYS A 94 -10.706 -21.763 -1.765 1.00 0.00 C ATOM 106 CG LYS A 94 -9.757 -21.872 -2.946 1.00 0.00 C ATOM 107 CD LYS A 94 -9.086 -23.233 -2.997 1.00 0.00 C ATOM 108 CE LYS A 94 -8.776 -23.648 -4.428 1.00 0.00 C ATOM 109 NZ LYS A 94 -7.748 -24.723 -4.483 1.00 0.00 N ATOM 0 H LYS A 94 -11.296 -22.299 0.571 1.00 0.00 H new ATOM 0 HA LYS A 94 -9.033 -21.065 -0.611 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -10.984 -22.765 -1.439 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -11.621 -21.268 -2.090 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -10.306 -21.701 -3.872 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.998 -21.093 -2.877 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -8.164 -23.207 -2.417 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -9.734 -23.977 -2.533 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -9.689 -23.994 -4.912 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -8.426 -22.782 -4.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -7.565 -24.978 -5.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.868 -24.385 -4.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -8.092 -25.559 -3.969 1.00 0.00 H new ATOM 123 N ALA A 95 -11.669 -19.197 -0.086 1.00 0.00 N ATOM 124 CA ALA A 95 -12.160 -17.824 -0.092 1.00 0.00 C ATOM 125 C ALA A 95 -11.322 -16.937 0.824 1.00 0.00 C ATOM 126 O ALA A 95 -11.069 -15.774 0.514 1.00 0.00 O ATOM 127 CB ALA A 95 -13.622 -17.784 0.325 1.00 0.00 C ATOM 0 H ALA A 95 -12.280 -19.862 0.388 1.00 0.00 H new ATOM 0 HA ALA A 95 -12.073 -17.438 -1.108 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -13.975 -16.753 0.316 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -14.215 -18.377 -0.371 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -13.725 -18.194 1.330 1.00 0.00 H new ATOM 133 N ALA A 96 -10.894 -17.496 1.951 1.00 0.00 N ATOM 134 CA ALA A 96 -10.084 -16.757 2.911 1.00 0.00 C ATOM 135 C ALA A 96 -8.652 -16.597 2.412 1.00 0.00 C ATOM 136 O ALA A 96 -8.012 -15.572 2.647 1.00 0.00 O ATOM 137 CB ALA A 96 -10.099 -17.454 4.263 1.00 0.00 C ATOM 0 H ALA A 96 -11.095 -18.459 2.222 1.00 0.00 H new ATOM 0 HA ALA A 96 -10.516 -15.762 3.023 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -9.490 -16.890 4.970 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -11.123 -17.511 4.632 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -9.695 -18.461 4.158 1.00 0.00 H new ATOM 143 N LYS A 97 -8.153 -17.617 1.722 1.00 0.00 N ATOM 144 CA LYS A 97 -6.796 -17.590 1.189 1.00 0.00 C ATOM 145 C LYS A 97 -6.693 -16.627 0.011 1.00 0.00 C ATOM 146 O LYS A 97 -5.629 -16.070 -0.256 1.00 0.00 O ATOM 147 CB LYS A 97 -6.370 -18.994 0.752 1.00 0.00 C ATOM 148 CG LYS A 97 -4.922 -19.318 1.075 1.00 0.00 C ATOM 149 CD LYS A 97 -4.282 -20.158 -0.018 1.00 0.00 C ATOM 150 CE LYS A 97 -3.516 -21.337 0.562 1.00 0.00 C ATOM 151 NZ LYS A 97 -3.565 -22.525 -0.334 1.00 0.00 N ATOM 0 H LYS A 97 -8.669 -18.473 1.519 1.00 0.00 H new ATOM 0 HA LYS A 97 -6.129 -17.243 1.978 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.014 -19.727 1.237 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -6.525 -19.094 -0.322 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -4.360 -18.392 1.200 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -4.871 -19.853 2.023 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -5.053 -20.522 -0.697 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.606 -19.538 -0.607 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.478 -21.049 0.727 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.933 -21.598 1.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.031 -23.307 0.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.554 -22.815 -0.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.144 -22.284 -1.254 1.00 0.00 H new ATOM 165 N GLU A 98 -7.807 -16.435 -0.690 1.00 0.00 N ATOM 166 CA GLU A 98 -7.840 -15.537 -1.839 1.00 0.00 C ATOM 167 C GLU A 98 -7.796 -14.079 -1.392 1.00 0.00 C ATOM 168 O GLU A 98 -7.210 -13.230 -2.064 1.00 0.00 O ATOM 169 CB GLU A 98 -9.098 -15.788 -2.673 1.00 0.00 C ATOM 170 CG GLU A 98 -8.859 -15.709 -4.172 1.00 0.00 C ATOM 171 CD GLU A 98 -10.146 -15.774 -4.972 1.00 0.00 C ATOM 172 OE1 GLU A 98 -10.815 -16.828 -4.934 1.00 0.00 O ATOM 173 OE2 GLU A 98 -10.483 -14.772 -5.636 1.00 0.00 O ATOM 0 H GLU A 98 -8.697 -16.888 -0.483 1.00 0.00 H new ATOM 0 HA GLU A 98 -6.960 -15.738 -2.450 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -9.496 -16.773 -2.428 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -9.859 -15.059 -2.396 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.337 -14.781 -4.405 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -8.205 -16.527 -4.476 1.00 0.00 H new ATOM 180 N ARG A 99 -8.421 -13.796 -0.253 1.00 0.00 N ATOM 181 CA ARG A 99 -8.455 -12.441 0.283 1.00 0.00 C ATOM 182 C ARG A 99 -7.051 -11.964 0.643 1.00 0.00 C ATOM 183 O ARG A 99 -6.743 -10.777 0.539 1.00 0.00 O ATOM 184 CB ARG A 99 -9.358 -12.380 1.517 1.00 0.00 C ATOM 185 CG ARG A 99 -10.049 -11.040 1.700 1.00 0.00 C ATOM 186 CD ARG A 99 -9.960 -10.559 3.140 1.00 0.00 C ATOM 187 NE ARG A 99 -11.047 -11.087 3.961 1.00 0.00 N ATOM 188 CZ ARG A 99 -11.065 -11.019 5.288 1.00 0.00 C ATOM 189 NH1 ARG A 99 -10.061 -10.448 5.939 1.00 0.00 N ATOM 190 NH2 ARG A 99 -12.089 -11.522 5.966 1.00 0.00 N ATOM 0 H ARG A 99 -8.910 -14.487 0.316 1.00 0.00 H new ATOM 0 HA ARG A 99 -8.858 -11.783 -0.486 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -10.114 -13.162 1.443 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -8.762 -12.596 2.404 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -9.594 -10.302 1.040 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -11.096 -11.126 1.408 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -9.004 -10.863 3.565 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -9.986 -9.470 3.161 1.00 0.00 H new ATOM 0 HE ARG A 99 -11.835 -11.532 3.490 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -9.273 -10.060 5.421 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -10.077 -10.397 6.958 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -12.863 -11.961 5.469 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -12.102 -11.469 6.985 1.00 0.00 H new ATOM 204 N ALA A 100 -6.205 -12.896 1.068 1.00 0.00 N ATOM 205 CA ALA A 100 -4.834 -12.571 1.442 1.00 0.00 C ATOM 206 C ALA A 100 -3.945 -12.440 0.210 1.00 0.00 C ATOM 207 O ALA A 100 -3.006 -11.646 0.194 1.00 0.00 O ATOM 208 CB ALA A 100 -4.280 -13.628 2.386 1.00 0.00 C ATOM 0 H ALA A 100 -6.445 -13.883 1.162 1.00 0.00 H new ATOM 0 HA ALA A 100 -4.842 -11.610 1.955 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -3.256 -13.373 2.657 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -4.894 -13.670 3.286 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.293 -14.600 1.892 1.00 0.00 H new ATOM 214 N GLU A 101 -4.249 -13.225 -0.819 1.00 0.00 N ATOM 215 CA GLU A 101 -3.475 -13.196 -2.055 1.00 0.00 C ATOM 216 C GLU A 101 -3.646 -11.861 -2.774 1.00 0.00 C ATOM 217 O GLU A 101 -2.675 -11.267 -3.242 1.00 0.00 O ATOM 218 CB GLU A 101 -3.900 -14.342 -2.975 1.00 0.00 C ATOM 219 CG GLU A 101 -2.784 -14.846 -3.876 1.00 0.00 C ATOM 220 CD GLU A 101 -2.476 -13.891 -5.012 1.00 0.00 C ATOM 221 OE1 GLU A 101 -3.382 -13.629 -5.831 1.00 0.00 O ATOM 222 OE2 GLU A 101 -1.327 -13.407 -5.084 1.00 0.00 O ATOM 0 H GLU A 101 -5.024 -13.888 -0.821 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.423 -13.317 -1.798 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -4.265 -15.169 -2.366 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -4.733 -14.010 -3.594 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.884 -15.000 -3.281 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.064 -15.816 -4.287 1.00 0.00 H new ATOM 229 N ARG A 102 -4.889 -11.396 -2.857 1.00 0.00 N ATOM 230 CA ARG A 102 -5.189 -10.133 -3.520 1.00 0.00 C ATOM 231 C ARG A 102 -4.777 -8.950 -2.648 1.00 0.00 C ATOM 232 O ARG A 102 -4.471 -7.870 -3.153 1.00 0.00 O ATOM 233 CB ARG A 102 -6.681 -10.045 -3.845 1.00 0.00 C ATOM 234 CG ARG A 102 -7.570 -9.971 -2.614 1.00 0.00 C ATOM 235 CD ARG A 102 -7.993 -8.541 -2.317 1.00 0.00 C ATOM 236 NE ARG A 102 -9.241 -8.485 -1.561 1.00 0.00 N ATOM 237 CZ ARG A 102 -10.429 -8.774 -2.082 1.00 0.00 C ATOM 238 NH1 ARG A 102 -10.529 -9.137 -3.354 1.00 0.00 N ATOM 239 NH2 ARG A 102 -11.520 -8.700 -1.330 1.00 0.00 N ATOM 0 H ARG A 102 -5.704 -11.875 -2.473 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.619 -10.094 -4.448 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -6.858 -9.165 -4.464 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -6.967 -10.914 -4.437 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -8.455 -10.589 -2.765 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -7.038 -10.380 -1.755 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -7.206 -8.040 -1.754 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -8.112 -7.996 -3.254 1.00 0.00 H new ATOM 0 HE ARG A 102 -9.199 -8.209 -0.580 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -9.693 -9.195 -3.935 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -11.442 -9.358 -3.751 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -11.447 -8.421 -0.352 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -12.431 -8.922 -1.730 1.00 0.00 H new ATOM 253 N ARG A 103 -4.772 -9.163 -1.336 1.00 0.00 N ATOM 254 CA ARG A 103 -4.400 -8.114 -0.394 1.00 0.00 C ATOM 255 C ARG A 103 -2.897 -7.851 -0.438 1.00 0.00 C ATOM 256 O ARG A 103 -2.439 -6.750 -0.132 1.00 0.00 O ATOM 257 CB ARG A 103 -4.818 -8.502 1.026 1.00 0.00 C ATOM 258 CG ARG A 103 -6.173 -7.948 1.434 1.00 0.00 C ATOM 259 CD ARG A 103 -6.448 -8.180 2.912 1.00 0.00 C ATOM 260 NE ARG A 103 -6.177 -6.989 3.713 1.00 0.00 N ATOM 261 CZ ARG A 103 -6.461 -6.894 5.006 1.00 0.00 C ATOM 262 NH1 ARG A 103 -7.022 -7.914 5.643 1.00 0.00 N ATOM 263 NH2 ARG A 103 -6.185 -5.777 5.667 1.00 0.00 N ATOM 0 H ARG A 103 -5.021 -10.052 -0.902 1.00 0.00 H new ATOM 0 HA ARG A 103 -4.920 -7.201 -0.683 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -4.840 -9.589 1.105 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -4.063 -8.147 1.728 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -6.210 -6.880 1.219 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -6.955 -8.420 0.839 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -7.488 -8.477 3.045 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -5.833 -9.005 3.270 1.00 0.00 H new ATOM 0 HE ARG A 103 -5.746 -6.187 3.254 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -7.236 -8.774 5.139 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -7.239 -7.838 6.637 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -5.754 -4.990 5.181 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -6.404 -5.705 6.661 1.00 0.00 H new ATOM 277 N LEU A 104 -2.135 -8.870 -0.822 1.00 0.00 N ATOM 278 CA LEU A 104 -0.684 -8.750 -0.906 1.00 0.00 C ATOM 279 C LEU A 104 -0.279 -7.831 -2.055 1.00 0.00 C ATOM 280 O LEU A 104 0.534 -6.925 -1.880 1.00 0.00 O ATOM 281 CB LEU A 104 -0.048 -10.129 -1.093 1.00 0.00 C ATOM 282 CG LEU A 104 1.480 -10.170 -1.085 1.00 0.00 C ATOM 283 CD1 LEU A 104 1.989 -10.858 0.173 1.00 0.00 C ATOM 284 CD2 LEU A 104 2.001 -10.874 -2.328 1.00 0.00 C ATOM 0 H LEU A 104 -2.498 -9.788 -1.080 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.326 -8.315 0.027 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.413 -10.785 -0.303 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.398 -10.543 -2.039 1.00 0.00 H new ATOM 0 HG LEU A 104 1.852 -9.145 -1.090 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.079 -10.878 0.161 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.645 -10.311 1.051 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.608 -11.879 0.209 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.091 -10.894 -2.305 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.620 -11.895 -2.355 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.666 -10.339 -3.217 1.00 0.00 H new ATOM 296 N GLN A 105 -0.855 -8.072 -3.229 1.00 0.00 N ATOM 297 CA GLN A 105 -0.555 -7.265 -4.406 1.00 0.00 C ATOM 298 C GLN A 105 -1.462 -6.041 -4.472 1.00 0.00 C ATOM 299 O GLN A 105 -2.198 -5.853 -5.440 1.00 0.00 O ATOM 300 CB GLN A 105 -0.712 -8.100 -5.677 1.00 0.00 C ATOM 301 CG GLN A 105 0.330 -9.197 -5.817 1.00 0.00 C ATOM 302 CD GLN A 105 -0.278 -10.538 -6.178 1.00 0.00 C ATOM 303 OE1 GLN A 105 -1.371 -10.879 -5.725 1.00 0.00 O ATOM 304 NE2 GLN A 105 0.429 -11.308 -6.997 1.00 0.00 N ATOM 0 H GLN A 105 -1.531 -8.819 -3.390 1.00 0.00 H new ATOM 0 HA GLN A 105 0.478 -6.926 -4.329 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -1.705 -8.550 -5.686 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -0.653 -7.442 -6.544 1.00 0.00 H new ATOM 0 HG2 GLN A 105 1.051 -8.912 -6.583 1.00 0.00 H new ATOM 0 HG3 GLN A 105 0.880 -9.292 -4.881 1.00 0.00 H new ATOM 0 HE21 GLN A 105 1.330 -10.986 -7.349 1.00 0.00 H new ATOM 0 HE22 GLN A 105 0.071 -12.222 -7.274 1.00 0.00 H new ATOM 313 N SER A 106 -1.404 -5.210 -3.435 1.00 0.00 N ATOM 314 CA SER A 106 -2.223 -4.005 -3.374 1.00 0.00 C ATOM 315 C SER A 106 -1.987 -3.125 -4.597 1.00 0.00 C ATOM 316 O SER A 106 -2.904 -2.464 -5.085 1.00 0.00 O ATOM 317 CB SER A 106 -1.916 -3.219 -2.098 1.00 0.00 C ATOM 318 OG SER A 106 -3.041 -3.186 -1.236 1.00 0.00 O ATOM 0 H SER A 106 -0.798 -5.350 -2.626 1.00 0.00 H new ATOM 0 HA SER A 106 -3.270 -4.307 -3.363 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.071 -3.674 -1.581 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.621 -2.202 -2.356 1.00 0.00 H new ATOM 0 HG SER A 106 -2.819 -2.679 -0.427 1.00 0.00 H new ATOM 324 N GLN A 107 -0.752 -3.122 -5.087 1.00 0.00 N ATOM 325 CA GLN A 107 -0.394 -2.323 -6.253 1.00 0.00 C ATOM 326 C GLN A 107 -1.275 -2.677 -7.447 1.00 0.00 C ATOM 327 O GLN A 107 -1.564 -1.828 -8.289 1.00 0.00 O ATOM 328 CB GLN A 107 1.078 -2.533 -6.610 1.00 0.00 C ATOM 329 CG GLN A 107 2.026 -1.626 -5.840 1.00 0.00 C ATOM 330 CD GLN A 107 2.145 -2.012 -4.380 1.00 0.00 C ATOM 331 OE1 GLN A 107 2.100 -3.192 -4.031 1.00 0.00 O ATOM 332 NE2 GLN A 107 2.299 -1.016 -3.515 1.00 0.00 N ATOM 0 H GLN A 107 0.018 -3.664 -4.695 1.00 0.00 H new ATOM 0 HA GLN A 107 -0.554 -1.274 -6.005 1.00 0.00 H new ATOM 0 HB2 GLN A 107 1.345 -3.572 -6.417 1.00 0.00 H new ATOM 0 HB3 GLN A 107 1.212 -2.362 -7.678 1.00 0.00 H new ATOM 0 HG2 GLN A 107 3.012 -1.661 -6.303 1.00 0.00 H new ATOM 0 HG3 GLN A 107 1.676 -0.596 -5.912 1.00 0.00 H new ATOM 0 HE21 GLN A 107 2.331 -0.052 -3.847 1.00 0.00 H new ATOM 0 HE22 GLN A 107 2.385 -1.215 -2.518 1.00 0.00 H new ATOM 341 N GLN A 108 -1.696 -3.936 -7.512 1.00 0.00 N ATOM 342 CA GLN A 108 -2.543 -4.402 -8.604 1.00 0.00 C ATOM 343 C GLN A 108 -3.984 -3.944 -8.408 1.00 0.00 C ATOM 344 O GLN A 108 -4.688 -3.648 -9.374 1.00 0.00 O ATOM 345 CB GLN A 108 -2.489 -5.927 -8.703 1.00 0.00 C ATOM 346 CG GLN A 108 -1.405 -6.438 -9.640 1.00 0.00 C ATOM 347 CD GLN A 108 -1.944 -7.381 -10.697 1.00 0.00 C ATOM 348 OE1 GLN A 108 -3.070 -7.222 -11.171 1.00 0.00 O ATOM 349 NE2 GLN A 108 -1.142 -8.370 -11.073 1.00 0.00 N ATOM 0 H GLN A 108 -1.465 -4.651 -6.822 1.00 0.00 H new ATOM 0 HA GLN A 108 -2.167 -3.971 -9.532 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -2.323 -6.342 -7.709 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -3.456 -6.295 -9.045 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -0.922 -5.591 -10.127 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -0.639 -6.950 -9.058 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -0.217 -8.464 -10.654 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -1.451 -9.036 -11.781 1.00 0.00 H new ATOM 358 N ASP A 109 -4.418 -3.889 -7.153 1.00 0.00 N ATOM 359 CA ASP A 109 -5.776 -3.466 -6.831 1.00 0.00 C ATOM 360 C ASP A 109 -6.012 -2.023 -7.263 1.00 0.00 C ATOM 361 O ASP A 109 -7.086 -1.681 -7.759 1.00 0.00 O ATOM 362 CB ASP A 109 -6.035 -3.612 -5.331 1.00 0.00 C ATOM 363 CG ASP A 109 -7.513 -3.703 -5.006 1.00 0.00 C ATOM 364 OD1 ASP A 109 -8.162 -4.669 -5.460 1.00 0.00 O ATOM 365 OD2 ASP A 109 -8.021 -2.808 -4.298 1.00 0.00 O ATOM 0 H ASP A 109 -3.849 -4.132 -6.342 1.00 0.00 H new ATOM 0 HA ASP A 109 -6.469 -4.107 -7.376 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -5.529 -4.505 -4.963 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -5.602 -2.761 -4.806 1.00 0.00 H new ATOM 370 N ASP A 110 -5.004 -1.180 -7.070 1.00 0.00 N ATOM 371 CA ASP A 110 -5.102 0.228 -7.439 1.00 0.00 C ATOM 372 C ASP A 110 -5.387 0.379 -8.931 1.00 0.00 C ATOM 373 O ASP A 110 -6.003 1.356 -9.358 1.00 0.00 O ATOM 374 CB ASP A 110 -3.811 0.963 -7.077 1.00 0.00 C ATOM 375 CG ASP A 110 -3.919 1.707 -5.759 1.00 0.00 C ATOM 376 OD1 ASP A 110 -4.542 1.165 -4.823 1.00 0.00 O ATOM 377 OD2 ASP A 110 -3.380 2.830 -5.666 1.00 0.00 O ATOM 0 H ASP A 110 -4.109 -1.447 -6.660 1.00 0.00 H new ATOM 0 HA ASP A 110 -5.929 0.668 -6.882 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -2.992 0.246 -7.020 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -3.563 1.668 -7.870 1.00 0.00 H new ATOM 382 N ILE A 111 -4.935 -0.592 -9.716 1.00 0.00 N ATOM 383 CA ILE A 111 -5.142 -0.566 -11.158 1.00 0.00 C ATOM 384 C ILE A 111 -6.488 -1.177 -11.532 1.00 0.00 C ATOM 385 O ILE A 111 -7.143 -0.732 -12.475 1.00 0.00 O ATOM 386 CB ILE A 111 -4.024 -1.322 -11.901 1.00 0.00 C ATOM 387 CG1 ILE A 111 -2.655 -0.757 -11.519 1.00 0.00 C ATOM 388 CG2 ILE A 111 -4.237 -1.238 -13.405 1.00 0.00 C ATOM 389 CD1 ILE A 111 -2.483 0.704 -11.875 1.00 0.00 C ATOM 0 H ILE A 111 -4.423 -1.407 -9.378 1.00 0.00 H new ATOM 0 HA ILE A 111 -5.125 0.481 -11.460 1.00 0.00 H new ATOM 0 HB ILE A 111 -4.058 -2.371 -11.607 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -2.506 -0.881 -10.446 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -1.879 -1.338 -12.018 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -3.439 -1.777 -13.916 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -5.198 -1.683 -13.662 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.227 -0.193 -13.716 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -1.489 1.037 -11.575 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -2.600 0.832 -12.951 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -3.236 1.296 -11.355 1.00 0.00 H new ATOM 401 N ASP A 112 -6.897 -2.196 -10.785 1.00 0.00 N ATOM 402 CA ASP A 112 -8.167 -2.867 -11.036 1.00 0.00 C ATOM 403 C ASP A 112 -9.328 -1.882 -10.946 1.00 0.00 C ATOM 404 O ASP A 112 -10.338 -2.033 -11.634 1.00 0.00 O ATOM 405 CB ASP A 112 -8.371 -4.008 -10.038 1.00 0.00 C ATOM 406 CG ASP A 112 -9.172 -5.154 -10.624 1.00 0.00 C ATOM 407 OD1 ASP A 112 -8.598 -5.939 -11.408 1.00 0.00 O ATOM 408 OD2 ASP A 112 -10.373 -5.266 -10.301 1.00 0.00 O ATOM 0 H ASP A 112 -6.367 -2.576 -10.000 1.00 0.00 H new ATOM 0 HA ASP A 112 -8.140 -3.278 -12.045 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -7.400 -4.378 -9.710 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -8.882 -3.626 -9.154 1.00 0.00 H new ATOM 413 N PHE A 113 -9.178 -0.874 -10.092 1.00 0.00 N ATOM 414 CA PHE A 113 -10.215 0.135 -9.911 1.00 0.00 C ATOM 415 C PHE A 113 -10.534 0.831 -11.231 1.00 0.00 C ATOM 416 O PHE A 113 -11.698 1.034 -11.574 1.00 0.00 O ATOM 417 CB PHE A 113 -9.776 1.167 -8.870 1.00 0.00 C ATOM 418 CG PHE A 113 -10.886 1.611 -7.961 1.00 0.00 C ATOM 419 CD1 PHE A 113 -11.894 2.438 -8.430 1.00 0.00 C ATOM 420 CD2 PHE A 113 -10.920 1.203 -6.638 1.00 0.00 C ATOM 421 CE1 PHE A 113 -12.917 2.848 -7.597 1.00 0.00 C ATOM 422 CE2 PHE A 113 -11.941 1.610 -5.800 1.00 0.00 C ATOM 423 CZ PHE A 113 -12.940 2.435 -6.279 1.00 0.00 C ATOM 0 H PHE A 113 -8.349 -0.735 -9.515 1.00 0.00 H new ATOM 0 HA PHE A 113 -11.116 -0.366 -9.558 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -8.971 0.745 -8.268 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -9.367 2.037 -9.383 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -11.880 2.766 -9.459 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -10.140 0.560 -6.257 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -13.698 3.491 -7.976 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -11.958 1.283 -4.771 1.00 0.00 H new ATOM 0 HZ PHE A 113 -13.737 2.756 -5.625 1.00 0.00 H new ATOM 433 N LYS A 114 -9.490 1.195 -11.968 1.00 0.00 N ATOM 434 CA LYS A 114 -9.655 1.868 -13.251 1.00 0.00 C ATOM 435 C LYS A 114 -10.415 0.985 -14.235 1.00 0.00 C ATOM 436 O LYS A 114 -11.184 1.477 -15.060 1.00 0.00 O ATOM 437 CB LYS A 114 -8.291 2.243 -13.834 1.00 0.00 C ATOM 438 CG LYS A 114 -8.289 3.569 -14.573 1.00 0.00 C ATOM 439 CD LYS A 114 -6.928 4.244 -14.505 1.00 0.00 C ATOM 440 CE LYS A 114 -6.763 5.277 -15.609 1.00 0.00 C ATOM 441 NZ LYS A 114 -6.506 6.638 -15.061 1.00 0.00 N ATOM 0 H LYS A 114 -8.519 1.035 -11.698 1.00 0.00 H new ATOM 0 HA LYS A 114 -10.233 2.777 -13.084 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -7.560 2.285 -13.027 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -7.968 1.456 -14.516 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -8.564 3.406 -15.615 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -9.044 4.227 -14.143 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -6.807 4.725 -13.534 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -6.143 3.492 -14.588 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -5.938 4.985 -16.259 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -7.662 5.297 -16.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -6.399 7.313 -15.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -7.305 6.927 -14.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -5.634 6.625 -14.494 1.00 0.00 H new ATOM 455 N ARG A 115 -10.194 -0.323 -14.141 1.00 0.00 N ATOM 456 CA ARG A 115 -10.859 -1.275 -15.023 1.00 0.00 C ATOM 457 C ARG A 115 -12.375 -1.147 -14.917 1.00 0.00 C ATOM 458 O ARG A 115 -13.083 -1.186 -15.922 1.00 0.00 O ATOM 459 CB ARG A 115 -10.431 -2.703 -14.681 1.00 0.00 C ATOM 460 CG ARG A 115 -9.980 -3.509 -15.888 1.00 0.00 C ATOM 461 CD ARG A 115 -11.090 -3.635 -16.919 1.00 0.00 C ATOM 462 NE ARG A 115 -10.737 -4.562 -17.991 1.00 0.00 N ATOM 463 CZ ARG A 115 -9.917 -4.253 -18.990 1.00 0.00 C ATOM 464 NH1 ARG A 115 -9.367 -3.048 -19.051 1.00 0.00 N ATOM 465 NH2 ARG A 115 -9.645 -5.151 -19.928 1.00 0.00 N ATOM 0 H ARG A 115 -9.560 -0.747 -13.464 1.00 0.00 H new ATOM 0 HA ARG A 115 -10.564 -1.050 -16.048 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -9.619 -2.666 -13.955 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -11.263 -3.218 -14.201 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -9.112 -3.031 -16.343 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -9.665 -4.502 -15.567 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -12.002 -3.977 -16.430 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -11.304 -2.654 -17.343 1.00 0.00 H new ATOM 0 HE ARG A 115 -11.142 -5.498 -17.972 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -9.573 -2.356 -18.330 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -8.738 -2.813 -19.819 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -10.065 -6.079 -19.883 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -9.016 -4.913 -20.695 1.00 0.00 H new ATOM 479 N ALA A 116 -12.867 -0.997 -13.691 1.00 0.00 N ATOM 480 CA ALA A 116 -14.299 -0.862 -13.454 1.00 0.00 C ATOM 481 C ALA A 116 -14.812 0.490 -13.939 1.00 0.00 C ATOM 482 O ALA A 116 -15.912 0.588 -14.482 1.00 0.00 O ATOM 483 CB ALA A 116 -14.609 -1.046 -11.975 1.00 0.00 C ATOM 0 H ALA A 116 -12.295 -0.966 -12.847 1.00 0.00 H new ATOM 0 HA ALA A 116 -14.810 -1.640 -14.021 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -15.682 -0.943 -11.813 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -14.288 -2.038 -11.657 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -14.080 -0.290 -11.395 1.00 0.00 H new ATOM 489 N GLU A 117 -14.007 1.529 -13.741 1.00 0.00 N ATOM 490 CA GLU A 117 -14.381 2.875 -14.157 1.00 0.00 C ATOM 491 C GLU A 117 -14.579 2.941 -15.669 1.00 0.00 C ATOM 492 O GLU A 117 -15.387 3.727 -16.167 1.00 0.00 O ATOM 493 CB GLU A 117 -13.312 3.882 -13.727 1.00 0.00 C ATOM 494 CG GLU A 117 -13.824 4.938 -12.761 1.00 0.00 C ATOM 495 CD GLU A 117 -14.156 6.247 -13.451 1.00 0.00 C ATOM 496 OE1 GLU A 117 -14.910 6.220 -14.446 1.00 0.00 O ATOM 497 OE2 GLU A 117 -13.660 7.299 -12.995 1.00 0.00 O ATOM 0 H GLU A 117 -13.092 1.464 -13.295 1.00 0.00 H new ATOM 0 HA GLU A 117 -15.324 3.129 -13.672 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -12.486 3.345 -13.261 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -12.912 4.375 -14.613 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -14.714 4.562 -12.256 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -13.072 5.117 -11.992 1.00 0.00 H new ATOM 504 N LEU A 118 -13.836 2.112 -16.393 1.00 0.00 N ATOM 505 CA LEU A 118 -13.929 2.075 -17.849 1.00 0.00 C ATOM 506 C LEU A 118 -15.138 1.261 -18.297 1.00 0.00 C ATOM 507 O LEU A 118 -15.856 1.653 -19.217 1.00 0.00 O ATOM 508 CB LEU A 118 -12.651 1.483 -18.446 1.00 0.00 C ATOM 509 CG LEU A 118 -11.728 2.468 -19.166 1.00 0.00 C ATOM 510 CD1 LEU A 118 -10.290 1.973 -19.133 1.00 0.00 C ATOM 511 CD2 LEU A 118 -12.188 2.680 -20.599 1.00 0.00 C ATOM 0 H LEU A 118 -13.163 1.456 -15.997 1.00 0.00 H new ATOM 0 HA LEU A 118 -14.050 3.097 -18.207 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -12.086 1.006 -17.645 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -12.932 0.699 -19.149 1.00 0.00 H new ATOM 0 HG LEU A 118 -11.773 3.425 -18.646 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -9.648 2.686 -19.650 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -9.963 1.874 -18.098 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -10.227 1.004 -19.628 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -11.520 3.384 -21.095 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -12.173 1.728 -21.130 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -13.202 3.080 -20.600 1.00 0.00 H new ATOM 523 N ALA A 119 -15.357 0.127 -17.641 1.00 0.00 N ATOM 524 CA ALA A 119 -16.482 -0.740 -17.968 1.00 0.00 C ATOM 525 C ALA A 119 -17.807 -0.002 -17.819 1.00 0.00 C ATOM 526 O ALA A 119 -18.768 -0.275 -18.539 1.00 0.00 O ATOM 527 CB ALA A 119 -16.465 -1.982 -17.089 1.00 0.00 C ATOM 0 H ALA A 119 -14.770 -0.213 -16.879 1.00 0.00 H new ATOM 0 HA ALA A 119 -16.382 -1.044 -19.010 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -17.311 -2.620 -17.344 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -15.536 -2.529 -17.250 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -16.536 -1.688 -16.042 1.00 0.00 H new ATOM 533 N LEU A 120 -17.854 0.934 -16.878 1.00 0.00 N ATOM 534 CA LEU A 120 -19.063 1.713 -16.632 1.00 0.00 C ATOM 535 C LEU A 120 -19.577 2.342 -17.923 1.00 0.00 C ATOM 536 O LEU A 120 -20.706 2.086 -18.344 1.00 0.00 O ATOM 537 CB LEU A 120 -18.789 2.803 -15.595 1.00 0.00 C ATOM 538 CG LEU A 120 -19.877 3.017 -14.542 1.00 0.00 C ATOM 539 CD1 LEU A 120 -21.217 3.290 -15.207 1.00 0.00 C ATOM 540 CD2 LEU A 120 -19.973 1.808 -13.622 1.00 0.00 C ATOM 0 H LEU A 120 -17.069 1.172 -16.272 1.00 0.00 H new ATOM 0 HA LEU A 120 -19.828 1.039 -16.248 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -17.858 2.563 -15.082 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -18.630 3.745 -16.121 1.00 0.00 H new ATOM 0 HG LEU A 120 -19.609 3.886 -13.941 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -21.979 3.440 -14.442 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -21.141 4.185 -15.824 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -21.493 2.441 -15.832 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -20.752 1.977 -12.879 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -20.218 0.923 -14.209 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -19.018 1.657 -13.119 1.00 0.00 H new ATOM 552 N LYS A 121 -18.742 3.164 -18.549 1.00 0.00 N ATOM 553 CA LYS A 121 -19.110 3.827 -19.795 1.00 0.00 C ATOM 554 C LYS A 121 -18.079 3.548 -20.883 1.00 0.00 C ATOM 555 O LYS A 121 -16.874 3.600 -20.640 1.00 0.00 O ATOM 556 CB LYS A 121 -19.239 5.335 -19.574 1.00 0.00 C ATOM 557 CG LYS A 121 -17.961 5.989 -19.079 1.00 0.00 C ATOM 558 CD LYS A 121 -18.234 7.351 -18.461 1.00 0.00 C ATOM 559 CE LYS A 121 -18.473 7.246 -16.963 1.00 0.00 C ATOM 560 NZ LYS A 121 -19.911 7.024 -16.645 1.00 0.00 N ATOM 0 H LYS A 121 -17.805 3.387 -18.214 1.00 0.00 H new ATOM 0 HA LYS A 121 -20.072 3.430 -20.120 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -19.539 5.806 -20.510 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -20.035 5.521 -18.853 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -17.483 5.344 -18.342 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -17.262 6.098 -19.908 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -17.389 8.013 -18.650 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -19.105 7.800 -18.939 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -17.881 6.426 -16.557 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -18.130 8.159 -16.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -20.100 7.322 -15.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -20.501 7.580 -17.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -20.138 6.014 -16.749 1.00 0.00 H new ATOM 574 N ARG A 122 -18.562 3.253 -22.086 1.00 0.00 N ATOM 575 CA ARG A 122 -17.682 2.966 -23.213 1.00 0.00 C ATOM 576 C ARG A 122 -17.913 3.958 -24.349 1.00 0.00 C ATOM 577 O ARG A 122 -17.468 3.741 -25.476 1.00 0.00 O ATOM 578 CB ARG A 122 -17.908 1.539 -23.714 1.00 0.00 C ATOM 579 CG ARG A 122 -19.223 1.354 -24.455 1.00 0.00 C ATOM 580 CD ARG A 122 -19.640 -0.107 -24.493 1.00 0.00 C ATOM 581 NE ARG A 122 -20.229 -0.542 -23.229 1.00 0.00 N ATOM 582 CZ ARG A 122 -21.487 -0.298 -22.882 1.00 0.00 C ATOM 583 NH1 ARG A 122 -22.286 0.372 -23.701 1.00 0.00 N ATOM 584 NH2 ARG A 122 -21.950 -0.727 -21.715 1.00 0.00 N ATOM 0 H ARG A 122 -19.557 3.207 -22.305 1.00 0.00 H new ATOM 0 HA ARG A 122 -16.652 3.064 -22.871 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -17.087 1.260 -24.374 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -17.880 0.856 -22.865 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -20.001 1.943 -23.970 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -19.125 1.732 -25.473 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -20.359 -0.258 -25.299 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -18.772 -0.726 -24.720 1.00 0.00 H new ATOM 0 HE ARG A 122 -19.641 -1.062 -22.577 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -21.935 0.701 -24.600 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -23.252 0.558 -23.432 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -21.339 -1.245 -21.083 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -22.917 -0.539 -21.450 1.00 0.00 H new ATOM 598 N ALA A 123 -18.613 5.046 -24.044 1.00 0.00 N ATOM 599 CA ALA A 123 -18.902 6.072 -25.040 1.00 0.00 C ATOM 600 C ALA A 123 -17.618 6.612 -25.660 1.00 0.00 C ATOM 601 O ALA A 123 -17.617 7.082 -26.797 1.00 0.00 O ATOM 602 CB ALA A 123 -19.705 7.202 -24.414 1.00 0.00 C ATOM 0 H ALA A 123 -18.990 5.240 -23.116 1.00 0.00 H new ATOM 0 HA ALA A 123 -19.494 5.617 -25.834 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -19.914 7.961 -25.168 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -20.644 6.809 -24.025 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -19.133 7.647 -23.600 1.00 0.00 H new ATOM 608 N MET A 124 -16.527 6.544 -24.904 1.00 0.00 N ATOM 609 CA MET A 124 -15.236 7.027 -25.380 1.00 0.00 C ATOM 610 C MET A 124 -14.767 6.223 -26.589 1.00 0.00 C ATOM 611 O MET A 124 -14.125 6.758 -27.491 1.00 0.00 O ATOM 612 CB MET A 124 -14.194 6.946 -24.264 1.00 0.00 C ATOM 613 CG MET A 124 -14.511 7.832 -23.071 1.00 0.00 C ATOM 614 SD MET A 124 -13.554 7.395 -21.607 1.00 0.00 S ATOM 615 CE MET A 124 -12.064 8.352 -21.878 1.00 0.00 C ATOM 0 H MET A 124 -16.511 6.159 -23.959 1.00 0.00 H new ATOM 0 HA MET A 124 -15.354 8.068 -25.681 1.00 0.00 H new ATOM 0 HB2 MET A 124 -14.114 5.912 -23.927 1.00 0.00 H new ATOM 0 HB3 MET A 124 -13.221 7.227 -24.666 1.00 0.00 H new ATOM 0 HG2 MET A 124 -14.313 8.871 -23.333 1.00 0.00 H new ATOM 0 HG3 MET A 124 -15.574 7.758 -22.841 1.00 0.00 H new ATOM 0 HE1 MET A 124 -11.371 8.187 -21.053 1.00 0.00 H new ATOM 0 HE2 MET A 124 -11.597 8.041 -22.813 1.00 0.00 H new ATOM 0 HE3 MET A 124 -12.317 9.411 -21.933 1.00 0.00 H new ATOM 625 N ASN A 125 -15.093 4.934 -26.599 1.00 0.00 N ATOM 626 CA ASN A 125 -14.704 4.056 -27.696 1.00 0.00 C ATOM 627 C ASN A 125 -15.511 4.366 -28.953 1.00 0.00 C ATOM 628 O ASN A 125 -14.982 4.344 -30.064 1.00 0.00 O ATOM 629 CB ASN A 125 -14.899 2.592 -27.299 1.00 0.00 C ATOM 630 CG ASN A 125 -13.634 1.773 -27.468 1.00 0.00 C ATOM 631 OD1 ASN A 125 -12.786 1.729 -26.578 1.00 0.00 O ATOM 632 ND2 ASN A 125 -13.502 1.119 -28.616 1.00 0.00 N ATOM 0 H ASN A 125 -15.625 4.475 -25.860 1.00 0.00 H new ATOM 0 HA ASN A 125 -13.650 4.229 -27.911 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -15.226 2.541 -26.260 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -15.694 2.157 -27.905 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -12.672 0.552 -28.787 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -14.231 1.184 -29.327 1.00 0.00 H new ATOM 639 N ARG A 126 -16.795 4.655 -28.769 1.00 0.00 N ATOM 640 CA ARG A 126 -17.676 4.969 -29.887 1.00 0.00 C ATOM 641 C ARG A 126 -17.280 6.292 -30.537 1.00 0.00 C ATOM 642 O ARG A 126 -17.474 6.489 -31.737 1.00 0.00 O ATOM 643 CB ARG A 126 -19.130 5.035 -29.416 1.00 0.00 C ATOM 644 CG ARG A 126 -20.110 4.372 -30.370 1.00 0.00 C ATOM 645 CD ARG A 126 -20.853 5.401 -31.209 1.00 0.00 C ATOM 646 NE ARG A 126 -22.262 5.497 -30.834 1.00 0.00 N ATOM 647 CZ ARG A 126 -23.157 6.202 -31.518 1.00 0.00 C ATOM 648 NH1 ARG A 126 -22.792 6.868 -32.604 1.00 0.00 N ATOM 649 NH2 ARG A 126 -24.420 6.241 -31.114 1.00 0.00 N ATOM 0 H ARG A 126 -17.248 4.678 -27.856 1.00 0.00 H new ATOM 0 HA ARG A 126 -17.577 4.176 -30.628 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -19.208 4.558 -28.439 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -19.414 6.079 -29.285 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -19.574 3.685 -31.025 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -20.826 3.778 -29.803 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -20.379 6.376 -31.091 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -20.775 5.134 -32.263 1.00 0.00 H new ATOM 0 HE ARG A 126 -22.575 4.996 -30.003 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -21.822 6.840 -32.917 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -23.481 7.408 -33.127 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -24.704 5.730 -30.278 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -25.107 6.782 -31.639 1.00 0.00 H new ATOM 663 N LEU A 127 -16.724 7.194 -29.736 1.00 0.00 N ATOM 664 CA LEU A 127 -16.301 8.499 -30.233 1.00 0.00 C ATOM 665 C LEU A 127 -14.793 8.531 -30.462 1.00 0.00 C ATOM 666 O LEU A 127 -14.010 8.526 -29.512 1.00 0.00 O ATOM 667 CB LEU A 127 -16.701 9.597 -29.246 1.00 0.00 C ATOM 668 CG LEU A 127 -17.745 10.598 -29.742 1.00 0.00 C ATOM 669 CD1 LEU A 127 -19.148 10.037 -29.567 1.00 0.00 C ATOM 670 CD2 LEU A 127 -17.603 11.924 -29.010 1.00 0.00 C ATOM 0 H LEU A 127 -16.556 7.046 -28.741 1.00 0.00 H new ATOM 0 HA LEU A 127 -16.799 8.676 -31.186 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -17.082 9.123 -28.341 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -15.804 10.148 -28.963 1.00 0.00 H new ATOM 0 HG LEU A 127 -17.576 10.773 -30.805 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -19.878 10.763 -29.925 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -19.244 9.114 -30.138 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -19.329 9.832 -28.512 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -18.354 12.624 -29.376 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -17.744 11.766 -27.941 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -16.609 12.333 -29.188 1.00 0.00 H new TER 682 LEU A 127