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 X(o=0,f=-0.088) USER MOD Single : A 106 SER OG : rot 87:sc= 0.0816 USER MOD Single : A 107 GLN : amide:sc= -0.0685 K(o=-0.069,f=-0.59) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=-0.0059) USER MOD Single : A 114 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.159) 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= -0.0367 K(o=-0.037,f=-0.63) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 88 -17.438 -27.671 0.449 1.00 0.00 N ATOM 2 CA ILE A 88 -17.931 -26.599 1.305 1.00 0.00 C ATOM 3 C ILE A 88 -16.897 -26.219 2.360 1.00 0.00 C ATOM 4 O ILE A 88 -16.567 -25.044 2.526 1.00 0.00 O ATOM 5 CB ILE A 88 -19.242 -26.998 2.007 1.00 0.00 C ATOM 6 CG1 ILE A 88 -20.251 -27.530 0.987 1.00 0.00 C ATOM 7 CG2 ILE A 88 -19.821 -25.809 2.762 1.00 0.00 C ATOM 8 CD1 ILE A 88 -20.227 -29.036 0.843 1.00 0.00 C ATOM 0 HA ILE A 88 -18.121 -25.741 0.660 1.00 0.00 H new ATOM 0 HB ILE A 88 -19.027 -27.790 2.724 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -21.253 -27.217 1.282 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -20.048 -27.077 0.017 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -20.748 -26.106 3.253 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -19.105 -25.470 3.511 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -20.025 -24.998 2.063 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -20.967 -29.343 0.104 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -19.236 -29.355 0.518 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -20.460 -29.497 1.803 1.00 0.00 H new ATOM 20 N ASP A 89 -16.388 -27.220 3.069 1.00 0.00 N ATOM 21 CA ASP A 89 -15.389 -26.992 4.107 1.00 0.00 C ATOM 22 C ASP A 89 -14.081 -26.494 3.501 1.00 0.00 C ATOM 23 O ASP A 89 -13.510 -25.503 3.958 1.00 0.00 O ATOM 24 CB ASP A 89 -15.143 -28.277 4.899 1.00 0.00 C ATOM 25 CG ASP A 89 -14.275 -28.046 6.120 1.00 0.00 C ATOM 26 OD1 ASP A 89 -13.047 -27.885 5.955 1.00 0.00 O ATOM 27 OD2 ASP A 89 -14.823 -28.025 7.242 1.00 0.00 O ATOM 0 H ASP A 89 -16.651 -28.198 2.944 1.00 0.00 H new ATOM 0 HA ASP A 89 -15.770 -26.226 4.783 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -16.099 -28.697 5.211 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -14.667 -29.014 4.252 1.00 0.00 H new ATOM 32 N VAL A 90 -13.609 -27.189 2.470 1.00 0.00 N ATOM 33 CA VAL A 90 -12.368 -26.818 1.802 1.00 0.00 C ATOM 34 C VAL A 90 -12.540 -25.533 0.998 1.00 0.00 C ATOM 35 O VAL A 90 -11.608 -24.737 0.873 1.00 0.00 O ATOM 36 CB VAL A 90 -11.880 -27.937 0.863 1.00 0.00 C ATOM 37 CG1 VAL A 90 -11.562 -29.197 1.653 1.00 0.00 C ATOM 38 CG2 VAL A 90 -12.918 -28.220 -0.213 1.00 0.00 C ATOM 0 H VAL A 90 -14.068 -28.012 2.080 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.624 -26.658 2.582 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.965 -27.603 0.374 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -11.219 -29.976 0.972 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.781 -28.982 2.382 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.458 -29.537 2.172 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -12.557 -29.013 -0.867 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -13.851 -28.533 0.255 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -13.091 -27.317 -0.799 1.00 0.00 H new ATOM 48 N LEU A 91 -13.735 -25.338 0.455 1.00 0.00 N ATOM 49 CA LEU A 91 -14.030 -24.148 -0.338 1.00 0.00 C ATOM 50 C LEU A 91 -13.989 -22.893 0.528 1.00 0.00 C ATOM 51 O LEU A 91 -13.626 -21.815 0.058 1.00 0.00 O ATOM 52 CB LEU A 91 -15.403 -24.280 -1.000 1.00 0.00 C ATOM 53 CG LEU A 91 -15.604 -23.487 -2.291 1.00 0.00 C ATOM 54 CD1 LEU A 91 -15.519 -24.405 -3.500 1.00 0.00 C ATOM 55 CD2 LEU A 91 -16.940 -22.757 -2.266 1.00 0.00 C ATOM 0 H LEU A 91 -14.516 -25.987 0.548 1.00 0.00 H new ATOM 0 HA LEU A 91 -13.267 -24.058 -1.112 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -15.582 -25.334 -1.213 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -16.162 -23.967 -0.283 1.00 0.00 H new ATOM 0 HG LEU A 91 -14.809 -22.746 -2.367 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -15.665 -23.823 -4.410 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -14.539 -24.881 -3.527 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -16.292 -25.170 -3.431 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -17.066 -22.198 -3.193 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -17.749 -23.481 -2.166 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -16.963 -22.069 -1.421 1.00 0.00 H new ATOM 67 N ARG A 92 -14.361 -23.042 1.795 1.00 0.00 N ATOM 68 CA ARG A 92 -14.366 -21.920 2.726 1.00 0.00 C ATOM 69 C ARG A 92 -12.947 -21.422 2.984 1.00 0.00 C ATOM 70 O ARG A 92 -12.675 -20.225 2.909 1.00 0.00 O ATOM 71 CB ARG A 92 -15.022 -22.329 4.046 1.00 0.00 C ATOM 72 CG ARG A 92 -15.558 -21.155 4.849 1.00 0.00 C ATOM 73 CD ARG A 92 -16.355 -21.623 6.057 1.00 0.00 C ATOM 74 NE ARG A 92 -17.640 -22.201 5.674 1.00 0.00 N ATOM 75 CZ ARG A 92 -18.696 -21.477 5.322 1.00 0.00 C ATOM 76 NH1 ARG A 92 -18.621 -20.153 5.304 1.00 0.00 N ATOM 77 NH2 ARG A 92 -19.832 -22.076 4.986 1.00 0.00 N ATOM 0 H ARG A 92 -14.663 -23.928 2.200 1.00 0.00 H new ATOM 0 HA ARG A 92 -14.941 -21.110 2.278 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -15.840 -23.019 3.837 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -14.295 -22.870 4.651 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -14.728 -20.530 5.179 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -16.190 -20.536 4.212 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -15.775 -22.362 6.610 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -16.522 -20.781 6.729 1.00 0.00 H new ATOM 0 HE ARG A 92 -17.732 -23.217 5.677 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -17.750 -19.688 5.561 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -19.434 -19.600 5.033 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -19.895 -23.094 4.998 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -20.642 -21.518 4.716 1.00 0.00 H new ATOM 91 N ALA A 93 -12.046 -22.351 3.290 1.00 0.00 N ATOM 92 CA ALA A 93 -10.655 -22.007 3.558 1.00 0.00 C ATOM 93 C ALA A 93 -9.969 -21.477 2.304 1.00 0.00 C ATOM 94 O ALA A 93 -9.054 -20.657 2.383 1.00 0.00 O ATOM 95 CB ALA A 93 -9.908 -23.216 4.100 1.00 0.00 C ATOM 0 H ALA A 93 -12.255 -23.347 3.358 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.640 -21.217 4.309 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -8.871 -22.945 4.296 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -10.377 -23.548 5.026 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -9.940 -24.022 3.367 1.00 0.00 H new ATOM 101 N LYS A 94 -10.416 -21.951 1.146 1.00 0.00 N ATOM 102 CA LYS A 94 -9.846 -21.525 -0.127 1.00 0.00 C ATOM 103 C LYS A 94 -10.270 -20.099 -0.463 1.00 0.00 C ATOM 104 O LYS A 94 -9.569 -19.386 -1.180 1.00 0.00 O ATOM 105 CB LYS A 94 -10.280 -22.474 -1.247 1.00 0.00 C ATOM 106 CG LYS A 94 -9.833 -22.030 -2.628 1.00 0.00 C ATOM 107 CD LYS A 94 -10.283 -23.007 -3.701 1.00 0.00 C ATOM 108 CE LYS A 94 -9.162 -23.312 -4.683 1.00 0.00 C ATOM 109 NZ LYS A 94 -9.651 -24.072 -5.866 1.00 0.00 N ATOM 0 H LYS A 94 -11.172 -22.631 1.063 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.760 -21.551 -0.037 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -9.878 -23.467 -1.046 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -11.366 -22.562 -1.237 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -10.238 -21.041 -2.842 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.747 -21.941 -2.649 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -10.620 -23.932 -3.234 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -11.136 -22.592 -4.238 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -8.706 -22.379 -5.014 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -8.384 -23.886 -4.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.857 -24.260 -6.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -10.063 -24.974 -5.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -10.375 -23.514 -6.362 1.00 0.00 H new ATOM 123 N ALA A 95 -11.420 -19.689 0.062 1.00 0.00 N ATOM 124 CA ALA A 95 -11.935 -18.347 -0.180 1.00 0.00 C ATOM 125 C ALA A 95 -11.106 -17.300 0.557 1.00 0.00 C ATOM 126 O ALA A 95 -10.732 -16.276 -0.013 1.00 0.00 O ATOM 127 CB ALA A 95 -13.394 -18.258 0.240 1.00 0.00 C ATOM 0 H ALA A 95 -12.013 -20.267 0.658 1.00 0.00 H new ATOM 0 HA ALA A 95 -11.863 -18.144 -1.249 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -13.765 -17.250 0.054 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -13.982 -18.974 -0.334 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -13.481 -18.486 1.302 1.00 0.00 H new ATOM 133 N ALA A 96 -10.822 -17.565 1.828 1.00 0.00 N ATOM 134 CA ALA A 96 -10.036 -16.646 2.643 1.00 0.00 C ATOM 135 C ALA A 96 -8.639 -16.456 2.063 1.00 0.00 C ATOM 136 O ALA A 96 -8.131 -15.337 1.995 1.00 0.00 O ATOM 137 CB ALA A 96 -9.951 -17.152 4.075 1.00 0.00 C ATOM 0 H ALA A 96 -11.124 -18.408 2.316 1.00 0.00 H new ATOM 0 HA ALA A 96 -10.536 -15.678 2.641 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -9.361 -16.456 4.672 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -10.954 -17.230 4.494 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -9.476 -18.133 4.087 1.00 0.00 H new ATOM 143 N LYS A 97 -8.022 -17.556 1.646 1.00 0.00 N ATOM 144 CA LYS A 97 -6.683 -17.512 1.070 1.00 0.00 C ATOM 145 C LYS A 97 -6.654 -16.627 -0.172 1.00 0.00 C ATOM 146 O LYS A 97 -5.654 -15.966 -0.449 1.00 0.00 O ATOM 147 CB LYS A 97 -6.210 -18.924 0.716 1.00 0.00 C ATOM 148 CG LYS A 97 -5.955 -19.802 1.928 1.00 0.00 C ATOM 149 CD LYS A 97 -4.530 -19.654 2.433 1.00 0.00 C ATOM 150 CE LYS A 97 -3.998 -20.965 2.991 1.00 0.00 C ATOM 151 NZ LYS A 97 -2.513 -21.035 2.919 1.00 0.00 N ATOM 0 H LYS A 97 -8.428 -18.490 1.696 1.00 0.00 H new ATOM 0 HA LYS A 97 -6.009 -17.086 1.813 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -6.959 -19.401 0.084 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -5.294 -18.855 0.129 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -6.653 -19.539 2.723 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -6.144 -20.844 1.670 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.888 -19.316 1.620 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -4.495 -18.887 3.207 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -4.317 -21.075 4.027 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -4.428 -21.798 2.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.189 -21.943 3.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -2.209 -20.956 1.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.102 -20.255 3.471 1.00 0.00 H new ATOM 165 N GLU A 98 -7.756 -16.620 -0.914 1.00 0.00 N ATOM 166 CA GLU A 98 -7.855 -15.816 -2.126 1.00 0.00 C ATOM 167 C GLU A 98 -7.788 -14.327 -1.798 1.00 0.00 C ATOM 168 O GLU A 98 -7.254 -13.534 -2.573 1.00 0.00 O ATOM 169 CB GLU A 98 -9.158 -16.128 -2.867 1.00 0.00 C ATOM 170 CG GLU A 98 -9.093 -15.841 -4.358 1.00 0.00 C ATOM 171 CD GLU A 98 -10.372 -16.219 -5.080 1.00 0.00 C ATOM 172 OE1 GLU A 98 -11.420 -16.328 -4.411 1.00 0.00 O ATOM 173 OE2 GLU A 98 -10.323 -16.408 -6.314 1.00 0.00 O ATOM 0 H GLU A 98 -8.593 -17.162 -0.697 1.00 0.00 H new ATOM 0 HA GLU A 98 -7.011 -16.068 -2.768 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -9.408 -17.178 -2.718 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -9.965 -15.542 -2.427 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.893 -14.781 -4.512 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -8.258 -16.390 -4.794 1.00 0.00 H new ATOM 180 N ARG A 99 -8.335 -13.956 -0.645 1.00 0.00 N ATOM 181 CA ARG A 99 -8.340 -12.563 -0.215 1.00 0.00 C ATOM 182 C ARG A 99 -6.993 -12.177 0.390 1.00 0.00 C ATOM 183 O ARG A 99 -6.601 -11.011 0.364 1.00 0.00 O ATOM 184 CB ARG A 99 -9.456 -12.326 0.804 1.00 0.00 C ATOM 185 CG ARG A 99 -10.212 -11.026 0.587 1.00 0.00 C ATOM 186 CD ARG A 99 -11.688 -11.176 0.923 1.00 0.00 C ATOM 187 NE ARG A 99 -11.911 -11.319 2.359 1.00 0.00 N ATOM 188 CZ ARG A 99 -13.037 -11.787 2.885 1.00 0.00 C ATOM 189 NH1 ARG A 99 -14.037 -12.155 2.097 1.00 0.00 N ATOM 190 NH2 ARG A 99 -13.164 -11.888 4.202 1.00 0.00 N ATOM 0 H ARG A 99 -8.780 -14.601 0.008 1.00 0.00 H new ATOM 0 HA ARG A 99 -8.518 -11.938 -1.090 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -10.160 -13.157 0.760 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.027 -12.324 1.806 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -9.775 -10.242 1.206 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -10.104 -10.710 -0.451 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -12.233 -10.306 0.556 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -12.091 -12.046 0.405 1.00 0.00 H new ATOM 0 HE ARG A 99 -11.161 -11.044 2.993 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -13.943 -12.079 1.084 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -14.901 -12.514 2.503 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -12.396 -11.606 4.812 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -14.029 -12.248 4.605 1.00 0.00 H new ATOM 204 N ALA A 100 -6.290 -13.164 0.935 1.00 0.00 N ATOM 205 CA ALA A 100 -4.987 -12.928 1.545 1.00 0.00 C ATOM 206 C ALA A 100 -3.967 -12.482 0.504 1.00 0.00 C ATOM 207 O ALA A 100 -3.059 -11.708 0.804 1.00 0.00 O ATOM 208 CB ALA A 100 -4.504 -14.182 2.258 1.00 0.00 C ATOM 0 H ALA A 100 -6.601 -14.135 0.967 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.094 -12.127 2.276 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -3.530 -13.992 2.709 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -5.217 -14.456 3.036 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.419 -14.998 1.541 1.00 0.00 H new ATOM 214 N GLU A 101 -4.121 -12.978 -0.720 1.00 0.00 N ATOM 215 CA GLU A 101 -3.210 -12.630 -1.805 1.00 0.00 C ATOM 216 C GLU A 101 -3.706 -11.399 -2.558 1.00 0.00 C ATOM 217 O GLU A 101 -2.913 -10.630 -3.101 1.00 0.00 O ATOM 218 CB GLU A 101 -3.061 -13.807 -2.771 1.00 0.00 C ATOM 219 CG GLU A 101 -4.379 -14.284 -3.358 1.00 0.00 C ATOM 220 CD GLU A 101 -4.189 -15.197 -4.554 1.00 0.00 C ATOM 221 OE1 GLU A 101 -3.952 -14.678 -5.665 1.00 0.00 O ATOM 222 OE2 GLU A 101 -4.275 -16.430 -4.378 1.00 0.00 O ATOM 0 H GLU A 101 -4.867 -13.621 -0.985 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.237 -12.400 -1.370 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.395 -13.517 -3.584 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.584 -14.637 -2.249 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -4.945 -14.811 -2.590 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -4.973 -13.420 -3.656 1.00 0.00 H new ATOM 229 N ARG A 102 -5.022 -11.220 -2.586 1.00 0.00 N ATOM 230 CA ARG A 102 -5.625 -10.084 -3.274 1.00 0.00 C ATOM 231 C ARG A 102 -5.353 -8.786 -2.519 1.00 0.00 C ATOM 232 O ARG A 102 -5.220 -7.722 -3.124 1.00 0.00 O ATOM 233 CB ARG A 102 -7.132 -10.293 -3.425 1.00 0.00 C ATOM 234 CG ARG A 102 -7.553 -10.699 -4.827 1.00 0.00 C ATOM 235 CD ARG A 102 -8.928 -10.151 -5.177 1.00 0.00 C ATOM 236 NE ARG A 102 -9.379 -10.602 -6.491 1.00 0.00 N ATOM 237 CZ ARG A 102 -10.510 -10.197 -7.059 1.00 0.00 C ATOM 238 NH1 ARG A 102 -11.299 -9.337 -6.431 1.00 0.00 N ATOM 239 NH2 ARG A 102 -10.852 -10.652 -8.257 1.00 0.00 N ATOM 0 H ARG A 102 -5.692 -11.847 -2.140 1.00 0.00 H new ATOM 0 HA ARG A 102 -5.175 -10.010 -4.264 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -7.456 -11.060 -2.721 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -7.647 -9.372 -3.153 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -6.821 -10.335 -5.548 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -7.563 -11.786 -4.905 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -9.647 -10.465 -4.420 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -8.900 -9.062 -5.158 1.00 0.00 H new ATOM 0 HE ARG A 102 -8.794 -11.264 -7.001 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -11.039 -8.985 -5.510 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -12.167 -9.027 -6.869 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -10.247 -11.313 -8.743 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -11.720 -10.340 -8.692 1.00 0.00 H new ATOM 253 N ARG A 103 -5.271 -8.882 -1.197 1.00 0.00 N ATOM 254 CA ARG A 103 -5.017 -7.716 -0.360 1.00 0.00 C ATOM 255 C ARG A 103 -3.560 -7.276 -0.468 1.00 0.00 C ATOM 256 O ARG A 103 -3.237 -6.104 -0.265 1.00 0.00 O ATOM 257 CB ARG A 103 -5.361 -8.023 1.099 1.00 0.00 C ATOM 258 CG ARG A 103 -6.844 -7.907 1.412 1.00 0.00 C ATOM 259 CD ARG A 103 -7.254 -6.460 1.639 1.00 0.00 C ATOM 260 NE ARG A 103 -8.270 -6.024 0.685 1.00 0.00 N ATOM 261 CZ ARG A 103 -8.590 -4.750 0.483 1.00 0.00 C ATOM 262 NH1 ARG A 103 -7.976 -3.793 1.164 1.00 0.00 N ATOM 263 NH2 ARG A 103 -9.525 -4.433 -0.403 1.00 0.00 N ATOM 0 H ARG A 103 -5.377 -9.756 -0.682 1.00 0.00 H new ATOM 0 HA ARG A 103 -5.652 -6.903 -0.712 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -5.026 -9.032 1.338 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -4.807 -7.342 1.745 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -7.424 -8.326 0.590 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -7.077 -8.496 2.299 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -7.636 -6.346 2.653 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -6.378 -5.817 1.555 1.00 0.00 H new ATOM 0 HE ARG A 103 -8.761 -6.736 0.144 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -7.256 -4.033 1.845 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -8.224 -2.816 1.007 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -9.999 -5.167 -0.929 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -9.770 -3.455 -0.558 1.00 0.00 H new ATOM 277 N LEU A 104 -2.685 -8.221 -0.789 1.00 0.00 N ATOM 278 CA LEU A 104 -1.261 -7.932 -0.925 1.00 0.00 C ATOM 279 C LEU A 104 -0.981 -7.165 -2.213 1.00 0.00 C ATOM 280 O LEU A 104 -0.183 -6.228 -2.227 1.00 0.00 O ATOM 281 CB LEU A 104 -0.452 -9.231 -0.905 1.00 0.00 C ATOM 282 CG LEU A 104 0.630 -9.332 0.170 1.00 0.00 C ATOM 283 CD1 LEU A 104 1.573 -8.141 0.092 1.00 0.00 C ATOM 284 CD2 LEU A 104 0.000 -9.426 1.552 1.00 0.00 C ATOM 0 H LEU A 104 -2.936 -9.195 -0.960 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.960 -7.311 -0.082 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.143 -10.064 -0.776 1.00 0.00 H new ATOM 0 HB3 LEU A 104 0.020 -9.357 -1.880 1.00 0.00 H new ATOM 0 HG LEU A 104 1.208 -10.239 -0.007 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.336 -8.230 0.865 1.00 0.00 H new ATOM 0 HD12 LEU A 104 2.050 -8.118 -0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.010 -7.220 0.243 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.784 -9.497 2.305 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.602 -8.537 1.738 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.634 -10.311 1.603 1.00 0.00 H new ATOM 296 N GLN A 105 -1.645 -7.567 -3.291 1.00 0.00 N ATOM 297 CA GLN A 105 -1.469 -6.915 -4.584 1.00 0.00 C ATOM 298 C GLN A 105 -2.201 -5.578 -4.624 1.00 0.00 C ATOM 299 O GLN A 105 -1.763 -4.639 -5.288 1.00 0.00 O ATOM 300 CB GLN A 105 -1.973 -7.821 -5.709 1.00 0.00 C ATOM 301 CG GLN A 105 -3.481 -8.016 -5.703 1.00 0.00 C ATOM 302 CD GLN A 105 -3.965 -8.853 -6.870 1.00 0.00 C ATOM 303 OE1 GLN A 105 -3.396 -9.901 -7.176 1.00 0.00 O ATOM 304 NE2 GLN A 105 -5.023 -8.395 -7.528 1.00 0.00 N ATOM 0 H GLN A 105 -2.310 -8.341 -3.296 1.00 0.00 H new ATOM 0 HA GLN A 105 -0.404 -6.729 -4.727 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -1.674 -7.397 -6.668 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -1.489 -8.794 -5.625 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -3.778 -8.494 -4.770 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -3.970 -7.042 -5.732 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -5.464 -7.521 -7.240 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -5.395 -8.917 -8.322 1.00 0.00 H new ATOM 313 N SER A 106 -3.319 -5.500 -3.909 1.00 0.00 N ATOM 314 CA SER A 106 -4.115 -4.279 -3.867 1.00 0.00 C ATOM 315 C SER A 106 -3.275 -3.099 -3.387 1.00 0.00 C ATOM 316 O SER A 106 -3.357 -2.002 -3.937 1.00 0.00 O ATOM 317 CB SER A 106 -5.325 -4.465 -2.948 1.00 0.00 C ATOM 318 OG SER A 106 -6.447 -4.939 -3.673 1.00 0.00 O ATOM 0 H SER A 106 -3.694 -6.267 -3.351 1.00 0.00 H new ATOM 0 HA SER A 106 -4.464 -4.067 -4.878 1.00 0.00 H new ATOM 0 HB2 SER A 106 -5.078 -5.169 -2.153 1.00 0.00 H new ATOM 0 HB3 SER A 106 -5.571 -3.517 -2.469 1.00 0.00 H new ATOM 0 HG SER A 106 -6.421 -5.918 -3.713 1.00 0.00 H new ATOM 324 N GLN A 107 -2.468 -3.335 -2.358 1.00 0.00 N ATOM 325 CA GLN A 107 -1.613 -2.292 -1.803 1.00 0.00 C ATOM 326 C GLN A 107 -0.648 -1.761 -2.858 1.00 0.00 C ATOM 327 O GLN A 107 -0.237 -0.602 -2.808 1.00 0.00 O ATOM 328 CB GLN A 107 -0.830 -2.829 -0.604 1.00 0.00 C ATOM 329 CG GLN A 107 -1.300 -2.270 0.729 1.00 0.00 C ATOM 330 CD GLN A 107 -2.251 -3.204 1.452 1.00 0.00 C ATOM 331 OE1 GLN A 107 -3.254 -3.644 0.890 1.00 0.00 O ATOM 332 NE2 GLN A 107 -1.939 -3.512 2.706 1.00 0.00 N ATOM 0 H GLN A 107 -2.388 -4.239 -1.892 1.00 0.00 H new ATOM 0 HA GLN A 107 -2.251 -1.472 -1.474 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -0.914 -3.916 -0.583 1.00 0.00 H new ATOM 0 HB3 GLN A 107 0.226 -2.593 -0.735 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -0.435 -2.077 1.363 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -1.794 -1.312 0.563 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -1.097 -3.124 3.132 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -2.541 -4.136 3.243 1.00 0.00 H new ATOM 341 N GLN A 108 -0.291 -2.616 -3.811 1.00 0.00 N ATOM 342 CA GLN A 108 0.626 -2.232 -4.877 1.00 0.00 C ATOM 343 C GLN A 108 -0.117 -1.524 -6.006 1.00 0.00 C ATOM 344 O GLN A 108 0.388 -0.563 -6.587 1.00 0.00 O ATOM 345 CB GLN A 108 1.353 -3.463 -5.421 1.00 0.00 C ATOM 346 CG GLN A 108 2.557 -3.126 -6.287 1.00 0.00 C ATOM 347 CD GLN A 108 3.801 -2.839 -5.469 1.00 0.00 C ATOM 348 OE1 GLN A 108 3.999 -1.722 -4.989 1.00 0.00 O ATOM 349 NE2 GLN A 108 4.648 -3.849 -5.306 1.00 0.00 N ATOM 0 H GLN A 108 -0.623 -3.579 -3.866 1.00 0.00 H new ATOM 0 HA GLN A 108 1.359 -1.541 -4.460 1.00 0.00 H new ATOM 0 HB2 GLN A 108 1.679 -4.081 -4.585 1.00 0.00 H new ATOM 0 HB3 GLN A 108 0.652 -4.060 -6.004 1.00 0.00 H new ATOM 0 HG2 GLN A 108 2.756 -3.956 -6.965 1.00 0.00 H new ATOM 0 HG3 GLN A 108 2.324 -2.258 -6.905 1.00 0.00 H new ATOM 0 HE21 GLN A 108 4.444 -4.758 -5.722 1.00 0.00 H new ATOM 0 HE22 GLN A 108 5.503 -3.716 -4.765 1.00 0.00 H new ATOM 358 N ASP A 109 -1.316 -2.007 -6.311 1.00 0.00 N ATOM 359 CA ASP A 109 -2.129 -1.420 -7.370 1.00 0.00 C ATOM 360 C ASP A 109 -2.412 0.052 -7.086 1.00 0.00 C ATOM 361 O ASP A 109 -2.384 0.886 -7.991 1.00 0.00 O ATOM 362 CB ASP A 109 -3.445 -2.186 -7.517 1.00 0.00 C ATOM 363 CG ASP A 109 -4.302 -1.654 -8.647 1.00 0.00 C ATOM 364 OD1 ASP A 109 -3.867 -1.742 -9.814 1.00 0.00 O ATOM 365 OD2 ASP A 109 -5.408 -1.147 -8.365 1.00 0.00 O ATOM 0 H ASP A 109 -1.747 -2.803 -5.840 1.00 0.00 H new ATOM 0 HA ASP A 109 -1.571 -1.490 -8.303 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -3.231 -3.240 -7.693 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -4.003 -2.126 -6.583 1.00 0.00 H new ATOM 370 N ASP A 110 -2.685 0.363 -5.824 1.00 0.00 N ATOM 371 CA ASP A 110 -2.974 1.734 -5.420 1.00 0.00 C ATOM 372 C ASP A 110 -1.749 2.625 -5.606 1.00 0.00 C ATOM 373 O ASP A 110 -1.823 3.672 -6.249 1.00 0.00 O ATOM 374 CB ASP A 110 -3.430 1.773 -3.960 1.00 0.00 C ATOM 375 CG ASP A 110 -3.375 3.170 -3.373 1.00 0.00 C ATOM 376 OD1 ASP A 110 -2.267 3.620 -3.015 1.00 0.00 O ATOM 377 OD2 ASP A 110 -4.441 3.814 -3.273 1.00 0.00 O ATOM 0 H ASP A 110 -2.712 -0.316 -5.063 1.00 0.00 H new ATOM 0 HA ASP A 110 -3.776 2.112 -6.054 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -4.449 1.393 -3.891 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -2.801 1.108 -3.368 1.00 0.00 H new ATOM 382 N ILE A 111 -0.625 2.202 -5.039 1.00 0.00 N ATOM 383 CA ILE A 111 0.616 2.961 -5.142 1.00 0.00 C ATOM 384 C ILE A 111 1.375 2.602 -6.415 1.00 0.00 C ATOM 385 O ILE A 111 2.538 2.203 -6.365 1.00 0.00 O ATOM 386 CB ILE A 111 1.529 2.717 -3.927 1.00 0.00 C ATOM 387 CG1 ILE A 111 0.722 2.799 -2.630 1.00 0.00 C ATOM 388 CG2 ILE A 111 2.671 3.722 -3.912 1.00 0.00 C ATOM 389 CD1 ILE A 111 1.548 2.553 -1.387 1.00 0.00 C ATOM 0 H ILE A 111 -0.547 1.338 -4.503 1.00 0.00 H new ATOM 0 HA ILE A 111 0.339 4.015 -5.171 1.00 0.00 H new ATOM 0 HB ILE A 111 1.953 1.716 -4.005 1.00 0.00 H new ATOM 0 HG12 ILE A 111 0.261 3.784 -2.561 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -0.087 2.070 -2.669 1.00 0.00 H new ATOM 0 HG21 ILE A 111 3.308 3.536 -3.047 1.00 0.00 H new ATOM 0 HG22 ILE A 111 3.259 3.618 -4.824 1.00 0.00 H new ATOM 0 HG23 ILE A 111 2.266 4.732 -3.854 1.00 0.00 H new ATOM 0 HD11 ILE A 111 0.910 2.627 -0.506 1.00 0.00 H new ATOM 0 HD12 ILE A 111 1.988 1.557 -1.434 1.00 0.00 H new ATOM 0 HD13 ILE A 111 2.341 3.298 -1.324 1.00 0.00 H new ATOM 401 N ASP A 112 0.709 2.749 -7.556 1.00 0.00 N ATOM 402 CA ASP A 112 1.322 2.443 -8.843 1.00 0.00 C ATOM 403 C ASP A 112 1.803 3.716 -9.532 1.00 0.00 C ATOM 404 O ASP A 112 2.733 3.685 -10.339 1.00 0.00 O ATOM 405 CB ASP A 112 0.329 1.705 -9.742 1.00 0.00 C ATOM 406 CG ASP A 112 1.018 0.880 -10.811 1.00 0.00 C ATOM 407 OD1 ASP A 112 2.147 0.409 -10.561 1.00 0.00 O ATOM 408 OD2 ASP A 112 0.429 0.706 -11.899 1.00 0.00 O ATOM 0 H ASP A 112 -0.255 3.078 -7.615 1.00 0.00 H new ATOM 0 HA ASP A 112 2.184 1.801 -8.664 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -0.295 1.054 -9.131 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -0.334 2.428 -10.217 1.00 0.00 H new ATOM 413 N PHE A 113 1.162 4.836 -9.210 1.00 0.00 N ATOM 414 CA PHE A 113 1.522 6.120 -9.800 1.00 0.00 C ATOM 415 C PHE A 113 2.924 6.542 -9.369 1.00 0.00 C ATOM 416 O PHE A 113 3.678 7.124 -10.149 1.00 0.00 O ATOM 417 CB PHE A 113 0.508 7.192 -9.397 1.00 0.00 C ATOM 418 CG PHE A 113 0.006 8.007 -10.555 1.00 0.00 C ATOM 419 CD1 PHE A 113 0.882 8.754 -11.326 1.00 0.00 C ATOM 420 CD2 PHE A 113 -1.343 8.026 -10.872 1.00 0.00 C ATOM 421 CE1 PHE A 113 0.424 9.504 -12.392 1.00 0.00 C ATOM 422 CE2 PHE A 113 -1.807 8.774 -11.937 1.00 0.00 C ATOM 423 CZ PHE A 113 -0.923 9.516 -12.697 1.00 0.00 C ATOM 0 H PHE A 113 0.391 4.880 -8.544 1.00 0.00 H new ATOM 0 HA PHE A 113 1.512 6.010 -10.884 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -0.339 6.713 -8.905 1.00 0.00 H new ATOM 0 HB3 PHE A 113 0.966 7.858 -8.666 1.00 0.00 H new ATOM 0 HD1 PHE A 113 1.936 8.750 -11.091 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -2.039 7.450 -10.280 1.00 0.00 H new ATOM 0 HE1 PHE A 113 1.118 10.080 -12.986 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -2.860 8.779 -12.175 1.00 0.00 H new ATOM 0 HZ PHE A 113 -1.285 10.104 -13.528 1.00 0.00 H new ATOM 433 N LYS A 114 3.267 6.244 -8.120 1.00 0.00 N ATOM 434 CA LYS A 114 4.578 6.591 -7.583 1.00 0.00 C ATOM 435 C LYS A 114 5.678 5.794 -8.277 1.00 0.00 C ATOM 436 O LYS A 114 6.795 6.282 -8.450 1.00 0.00 O ATOM 437 CB LYS A 114 4.619 6.331 -6.076 1.00 0.00 C ATOM 438 CG LYS A 114 4.837 7.586 -5.248 1.00 0.00 C ATOM 439 CD LYS A 114 3.668 8.549 -5.378 1.00 0.00 C ATOM 440 CE LYS A 114 3.252 9.106 -4.026 1.00 0.00 C ATOM 441 NZ LYS A 114 4.382 9.786 -3.334 1.00 0.00 N ATOM 0 H LYS A 114 2.655 5.763 -7.461 1.00 0.00 H new ATOM 0 HA LYS A 114 4.750 7.651 -7.768 1.00 0.00 H new ATOM 0 HB2 LYS A 114 3.683 5.863 -5.771 1.00 0.00 H new ATOM 0 HB3 LYS A 114 5.417 5.620 -5.860 1.00 0.00 H new ATOM 0 HG2 LYS A 114 4.971 7.314 -4.201 1.00 0.00 H new ATOM 0 HG3 LYS A 114 5.754 8.080 -5.569 1.00 0.00 H new ATOM 0 HD2 LYS A 114 3.943 9.369 -6.042 1.00 0.00 H new ATOM 0 HD3 LYS A 114 2.823 8.037 -5.837 1.00 0.00 H new ATOM 0 HE2 LYS A 114 2.432 9.811 -4.161 1.00 0.00 H new ATOM 0 HE3 LYS A 114 2.877 8.297 -3.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 4.011 10.377 -2.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 5.029 9.072 -2.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 4.895 10.384 -4.013 1.00 0.00 H new ATOM 455 N ARG A 115 5.355 4.568 -8.673 1.00 0.00 N ATOM 456 CA ARG A 115 6.316 3.705 -9.349 1.00 0.00 C ATOM 457 C ARG A 115 6.739 4.305 -10.686 1.00 0.00 C ATOM 458 O ARG A 115 7.850 4.066 -11.161 1.00 0.00 O ATOM 459 CB ARG A 115 5.719 2.314 -9.568 1.00 0.00 C ATOM 460 CG ARG A 115 6.071 1.320 -8.473 1.00 0.00 C ATOM 461 CD ARG A 115 7.553 0.974 -8.490 1.00 0.00 C ATOM 462 NE ARG A 115 7.803 -0.387 -8.025 1.00 0.00 N ATOM 463 CZ ARG A 115 7.516 -1.471 -8.735 1.00 0.00 C ATOM 464 NH1 ARG A 115 6.971 -1.354 -9.939 1.00 0.00 N ATOM 465 NH2 ARG A 115 7.773 -2.676 -8.243 1.00 0.00 N ATOM 0 H ARG A 115 4.435 4.149 -8.537 1.00 0.00 H new ATOM 0 HA ARG A 115 7.198 3.618 -8.714 1.00 0.00 H new ATOM 0 HB2 ARG A 115 4.634 2.400 -9.634 1.00 0.00 H new ATOM 0 HB3 ARG A 115 6.067 1.925 -10.525 1.00 0.00 H new ATOM 0 HG2 ARG A 115 5.805 1.737 -7.502 1.00 0.00 H new ATOM 0 HG3 ARG A 115 5.483 0.412 -8.602 1.00 0.00 H new ATOM 0 HD2 ARG A 115 7.940 1.088 -9.503 1.00 0.00 H new ATOM 0 HD3 ARG A 115 8.097 1.678 -7.860 1.00 0.00 H new ATOM 0 HE ARG A 115 8.222 -0.512 -7.103 1.00 0.00 H new ATOM 0 HH11 ARG A 115 6.772 -0.429 -10.321 1.00 0.00 H new ATOM 0 HH12 ARG A 115 6.751 -2.189 -10.483 1.00 0.00 H new ATOM 0 HH21 ARG A 115 8.192 -2.770 -7.318 1.00 0.00 H new ATOM 0 HH22 ARG A 115 7.552 -3.508 -8.790 1.00 0.00 H new ATOM 479 N ALA A 116 5.847 5.084 -11.289 1.00 0.00 N ATOM 480 CA ALA A 116 6.129 5.718 -12.570 1.00 0.00 C ATOM 481 C ALA A 116 7.267 6.726 -12.445 1.00 0.00 C ATOM 482 O ALA A 116 8.080 6.873 -13.357 1.00 0.00 O ATOM 483 CB ALA A 116 4.878 6.397 -13.109 1.00 0.00 C ATOM 0 H ALA A 116 4.923 5.291 -10.910 1.00 0.00 H new ATOM 0 HA ALA A 116 6.440 4.943 -13.270 1.00 0.00 H new ATOM 0 HB1 ALA A 116 5.103 6.867 -14.067 1.00 0.00 H new ATOM 0 HB2 ALA A 116 4.091 5.655 -13.245 1.00 0.00 H new ATOM 0 HB3 ALA A 116 4.543 7.156 -12.402 1.00 0.00 H new ATOM 489 N GLU A 117 7.317 7.418 -11.311 1.00 0.00 N ATOM 490 CA GLU A 117 8.355 8.413 -11.069 1.00 0.00 C ATOM 491 C GLU A 117 9.737 7.766 -11.059 1.00 0.00 C ATOM 492 O GLU A 117 10.721 8.369 -11.490 1.00 0.00 O ATOM 493 CB GLU A 117 8.105 9.130 -9.741 1.00 0.00 C ATOM 494 CG GLU A 117 7.386 10.459 -9.892 1.00 0.00 C ATOM 495 CD GLU A 117 6.600 10.842 -8.653 1.00 0.00 C ATOM 496 OE1 GLU A 117 7.230 11.253 -7.656 1.00 0.00 O ATOM 497 OE2 GLU A 117 5.357 10.731 -8.680 1.00 0.00 O ATOM 0 H GLU A 117 6.651 7.308 -10.546 1.00 0.00 H new ATOM 0 HA GLU A 117 8.320 9.142 -11.879 1.00 0.00 H new ATOM 0 HB2 GLU A 117 7.517 8.480 -9.092 1.00 0.00 H new ATOM 0 HB3 GLU A 117 9.060 9.298 -9.243 1.00 0.00 H new ATOM 0 HG2 GLU A 117 8.115 11.239 -10.111 1.00 0.00 H new ATOM 0 HG3 GLU A 117 6.709 10.407 -10.745 1.00 0.00 H new ATOM 504 N LEU A 118 9.803 6.535 -10.564 1.00 0.00 N ATOM 505 CA LEU A 118 11.064 5.805 -10.496 1.00 0.00 C ATOM 506 C LEU A 118 11.584 5.484 -11.894 1.00 0.00 C ATOM 507 O LEU A 118 12.789 5.360 -12.106 1.00 0.00 O ATOM 508 CB LEU A 118 10.886 4.512 -9.697 1.00 0.00 C ATOM 509 CG LEU A 118 11.600 4.455 -8.346 1.00 0.00 C ATOM 510 CD1 LEU A 118 13.108 4.471 -8.539 1.00 0.00 C ATOM 511 CD2 LEU A 118 11.161 5.612 -7.461 1.00 0.00 C ATOM 0 H LEU A 118 8.998 6.022 -10.204 1.00 0.00 H new ATOM 0 HA LEU A 118 11.795 6.438 -9.993 1.00 0.00 H new ATOM 0 HB2 LEU A 118 9.820 4.356 -9.529 1.00 0.00 H new ATOM 0 HB3 LEU A 118 11.238 3.680 -10.307 1.00 0.00 H new ATOM 0 HG LEU A 118 11.327 3.523 -7.851 1.00 0.00 H new ATOM 0 HD11 LEU A 118 13.600 4.430 -7.567 1.00 0.00 H new ATOM 0 HD12 LEU A 118 13.408 3.608 -9.134 1.00 0.00 H new ATOM 0 HD13 LEU A 118 13.399 5.386 -9.054 1.00 0.00 H new ATOM 0 HD21 LEU A 118 11.679 5.555 -6.504 1.00 0.00 H new ATOM 0 HD22 LEU A 118 11.403 6.556 -7.949 1.00 0.00 H new ATOM 0 HD23 LEU A 118 10.085 5.555 -7.295 1.00 0.00 H new ATOM 523 N ALA A 119 10.665 5.352 -12.845 1.00 0.00 N ATOM 524 CA ALA A 119 11.030 5.050 -14.224 1.00 0.00 C ATOM 525 C ALA A 119 11.441 6.314 -14.972 1.00 0.00 C ATOM 526 O ALA A 119 12.398 6.305 -15.748 1.00 0.00 O ATOM 527 CB ALA A 119 9.875 4.364 -14.938 1.00 0.00 C ATOM 0 H ALA A 119 9.662 5.449 -12.686 1.00 0.00 H new ATOM 0 HA ALA A 119 11.885 4.374 -14.208 1.00 0.00 H new ATOM 0 HB1 ALA A 119 10.162 4.145 -15.966 1.00 0.00 H new ATOM 0 HB2 ALA A 119 9.630 3.435 -14.424 1.00 0.00 H new ATOM 0 HB3 ALA A 119 9.005 5.020 -14.936 1.00 0.00 H new ATOM 533 N LEU A 120 10.713 7.399 -14.735 1.00 0.00 N ATOM 534 CA LEU A 120 11.001 8.672 -15.388 1.00 0.00 C ATOM 535 C LEU A 120 12.431 9.118 -15.102 1.00 0.00 C ATOM 536 O LEU A 120 13.221 9.336 -16.021 1.00 0.00 O ATOM 537 CB LEU A 120 10.016 9.744 -14.917 1.00 0.00 C ATOM 538 CG LEU A 120 9.814 10.930 -15.861 1.00 0.00 C ATOM 539 CD1 LEU A 120 8.601 10.705 -16.749 1.00 0.00 C ATOM 540 CD2 LEU A 120 9.666 12.221 -15.069 1.00 0.00 C ATOM 0 H LEU A 120 9.919 7.423 -14.096 1.00 0.00 H new ATOM 0 HA LEU A 120 10.891 8.534 -16.464 1.00 0.00 H new ATOM 0 HB2 LEU A 120 9.049 9.271 -14.748 1.00 0.00 H new ATOM 0 HB3 LEU A 120 10.357 10.125 -13.955 1.00 0.00 H new ATOM 0 HG LEU A 120 10.694 11.017 -16.499 1.00 0.00 H new ATOM 0 HD11 LEU A 120 8.473 11.559 -17.414 1.00 0.00 H new ATOM 0 HD12 LEU A 120 8.747 9.802 -17.342 1.00 0.00 H new ATOM 0 HD13 LEU A 120 7.712 10.592 -16.129 1.00 0.00 H new ATOM 0 HD21 LEU A 120 9.523 13.055 -15.756 1.00 0.00 H new ATOM 0 HD22 LEU A 120 8.804 12.145 -14.407 1.00 0.00 H new ATOM 0 HD23 LEU A 120 10.565 12.389 -14.476 1.00 0.00 H new ATOM 552 N LYS A 121 12.759 9.251 -13.821 1.00 0.00 N ATOM 553 CA LYS A 121 14.095 9.668 -13.412 1.00 0.00 C ATOM 554 C LYS A 121 15.155 8.731 -13.981 1.00 0.00 C ATOM 555 O LYS A 121 15.363 7.631 -13.469 1.00 0.00 O ATOM 556 CB LYS A 121 14.196 9.702 -11.885 1.00 0.00 C ATOM 557 CG LYS A 121 13.783 11.032 -11.278 1.00 0.00 C ATOM 558 CD LYS A 121 13.949 11.031 -9.768 1.00 0.00 C ATOM 559 CE LYS A 121 12.609 11.158 -9.059 1.00 0.00 C ATOM 560 NZ LYS A 121 12.619 10.489 -7.729 1.00 0.00 N ATOM 0 H LYS A 121 12.117 9.076 -13.048 1.00 0.00 H new ATOM 0 HA LYS A 121 14.272 10.669 -13.804 1.00 0.00 H new ATOM 0 HB2 LYS A 121 13.569 8.912 -11.470 1.00 0.00 H new ATOM 0 HB3 LYS A 121 15.222 9.481 -11.592 1.00 0.00 H new ATOM 0 HG2 LYS A 121 14.383 11.832 -11.710 1.00 0.00 H new ATOM 0 HG3 LYS A 121 12.743 11.241 -11.531 1.00 0.00 H new ATOM 0 HD2 LYS A 121 14.441 10.110 -9.456 1.00 0.00 H new ATOM 0 HD3 LYS A 121 14.598 11.855 -9.472 1.00 0.00 H new ATOM 0 HE2 LYS A 121 12.363 12.212 -8.933 1.00 0.00 H new ATOM 0 HE3 LYS A 121 11.827 10.720 -9.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 11.688 10.598 -7.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 12.828 9.478 -7.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 13.348 10.923 -7.127 1.00 0.00 H new ATOM 574 N ARG A 122 15.823 9.175 -15.040 1.00 0.00 N ATOM 575 CA ARG A 122 16.862 8.376 -15.678 1.00 0.00 C ATOM 576 C ARG A 122 18.244 8.964 -15.408 1.00 0.00 C ATOM 577 O ARG A 122 19.218 8.233 -15.231 1.00 0.00 O ATOM 578 CB ARG A 122 16.618 8.291 -17.186 1.00 0.00 C ATOM 579 CG ARG A 122 16.727 9.630 -17.896 1.00 0.00 C ATOM 580 CD ARG A 122 15.785 9.707 -19.087 1.00 0.00 C ATOM 581 NE ARG A 122 16.505 9.671 -20.357 1.00 0.00 N ATOM 582 CZ ARG A 122 17.152 10.714 -20.866 1.00 0.00 C ATOM 583 NH1 ARG A 122 17.169 11.869 -20.215 1.00 0.00 N ATOM 584 NH2 ARG A 122 17.784 10.602 -22.027 1.00 0.00 N ATOM 0 H ARG A 122 15.663 10.084 -15.475 1.00 0.00 H new ATOM 0 HA ARG A 122 16.824 7.373 -15.254 1.00 0.00 H new ATOM 0 HB2 ARG A 122 17.336 7.598 -17.623 1.00 0.00 H new ATOM 0 HB3 ARG A 122 15.626 7.875 -17.362 1.00 0.00 H new ATOM 0 HG2 ARG A 122 16.497 10.434 -17.196 1.00 0.00 H new ATOM 0 HG3 ARG A 122 17.753 9.783 -18.231 1.00 0.00 H new ATOM 0 HD2 ARG A 122 15.080 8.876 -19.046 1.00 0.00 H new ATOM 0 HD3 ARG A 122 15.200 10.625 -19.028 1.00 0.00 H new ATOM 0 HE ARG A 122 16.512 8.797 -20.882 1.00 0.00 H new ATOM 0 HH11 ARG A 122 16.685 11.958 -19.322 1.00 0.00 H new ATOM 0 HH12 ARG A 122 17.666 12.668 -20.608 1.00 0.00 H new ATOM 0 HH21 ARG A 122 17.774 9.715 -22.530 1.00 0.00 H new ATOM 0 HH22 ARG A 122 18.280 11.403 -22.417 1.00 0.00 H new ATOM 598 N ALA A 123 18.320 10.291 -15.378 1.00 0.00 N ATOM 599 CA ALA A 123 19.581 10.978 -15.128 1.00 0.00 C ATOM 600 C ALA A 123 20.245 10.462 -13.856 1.00 0.00 C ATOM 601 O ALA A 123 21.466 10.324 -13.794 1.00 0.00 O ATOM 602 CB ALA A 123 19.355 12.480 -15.036 1.00 0.00 C ATOM 0 H ALA A 123 17.523 10.911 -15.524 1.00 0.00 H new ATOM 0 HA ALA A 123 20.250 10.773 -15.964 1.00 0.00 H new ATOM 0 HB1 ALA A 123 20.305 12.980 -14.849 1.00 0.00 H new ATOM 0 HB2 ALA A 123 18.932 12.842 -15.973 1.00 0.00 H new ATOM 0 HB3 ALA A 123 18.665 12.695 -14.220 1.00 0.00 H new ATOM 608 N MET A 124 19.432 10.180 -12.843 1.00 0.00 N ATOM 609 CA MET A 124 19.941 9.679 -11.572 1.00 0.00 C ATOM 610 C MET A 124 20.763 8.410 -11.777 1.00 0.00 C ATOM 611 O MET A 124 21.799 8.221 -11.142 1.00 0.00 O ATOM 612 CB MET A 124 18.786 9.401 -10.608 1.00 0.00 C ATOM 613 CG MET A 124 19.096 9.768 -9.166 1.00 0.00 C ATOM 614 SD MET A 124 18.285 11.292 -8.647 1.00 0.00 S ATOM 615 CE MET A 124 18.687 11.313 -6.902 1.00 0.00 C ATOM 0 H MET A 124 18.419 10.290 -12.878 1.00 0.00 H new ATOM 0 HA MET A 124 20.587 10.444 -11.142 1.00 0.00 H new ATOM 0 HB2 MET A 124 17.908 9.958 -10.935 1.00 0.00 H new ATOM 0 HB3 MET A 124 18.529 8.343 -10.658 1.00 0.00 H new ATOM 0 HG2 MET A 124 18.783 8.954 -8.513 1.00 0.00 H new ATOM 0 HG3 MET A 124 20.174 9.876 -9.046 1.00 0.00 H new ATOM 0 HE1 MET A 124 18.253 12.200 -6.439 1.00 0.00 H new ATOM 0 HE2 MET A 124 18.283 10.420 -6.425 1.00 0.00 H new ATOM 0 HE3 MET A 124 19.770 11.332 -6.778 1.00 0.00 H new ATOM 625 N ASN A 125 20.293 7.544 -12.669 1.00 0.00 N ATOM 626 CA ASN A 125 20.985 6.293 -12.957 1.00 0.00 C ATOM 627 C ASN A 125 22.304 6.554 -13.679 1.00 0.00 C ATOM 628 O ASN A 125 23.270 5.809 -13.516 1.00 0.00 O ATOM 629 CB ASN A 125 20.098 5.380 -13.807 1.00 0.00 C ATOM 630 CG ASN A 125 19.111 4.590 -12.969 1.00 0.00 C ATOM 631 OD1 ASN A 125 19.460 4.059 -11.914 1.00 0.00 O ATOM 632 ND2 ASN A 125 17.871 4.509 -13.436 1.00 0.00 N ATOM 0 H ASN A 125 19.436 7.685 -13.204 1.00 0.00 H new ATOM 0 HA ASN A 125 21.201 5.800 -12.009 1.00 0.00 H new ATOM 0 HB2 ASN A 125 19.553 5.982 -14.534 1.00 0.00 H new ATOM 0 HB3 ASN A 125 20.726 4.690 -14.371 1.00 0.00 H new ATOM 0 HD21 ASN A 125 17.163 3.991 -12.916 1.00 0.00 H new ATOM 0 HD22 ASN A 125 17.626 4.965 -14.315 1.00 0.00 H new ATOM 639 N ARG A 126 22.335 7.616 -14.476 1.00 0.00 N ATOM 640 CA ARG A 126 23.535 7.975 -15.223 1.00 0.00 C ATOM 641 C ARG A 126 24.713 8.206 -14.281 1.00 0.00 C ATOM 642 O ARG A 126 25.868 7.992 -14.651 1.00 0.00 O ATOM 643 CB ARG A 126 23.283 9.232 -16.060 1.00 0.00 C ATOM 644 CG ARG A 126 23.985 9.216 -17.408 1.00 0.00 C ATOM 645 CD ARG A 126 23.113 8.586 -18.483 1.00 0.00 C ATOM 646 NE ARG A 126 23.016 9.429 -19.672 1.00 0.00 N ATOM 647 CZ ARG A 126 23.990 9.551 -20.567 1.00 0.00 C ATOM 648 NH1 ARG A 126 25.127 8.890 -20.408 1.00 0.00 N ATOM 649 NH2 ARG A 126 23.826 10.337 -21.623 1.00 0.00 N ATOM 0 H ARG A 126 21.544 8.243 -14.622 1.00 0.00 H new ATOM 0 HA ARG A 126 23.781 7.147 -15.888 1.00 0.00 H new ATOM 0 HB2 ARG A 126 22.210 9.343 -16.220 1.00 0.00 H new ATOM 0 HB3 ARG A 126 23.614 10.105 -15.498 1.00 0.00 H new ATOM 0 HG2 ARG A 126 24.242 10.235 -17.698 1.00 0.00 H new ATOM 0 HG3 ARG A 126 24.920 8.662 -17.326 1.00 0.00 H new ATOM 0 HD2 ARG A 126 23.523 7.615 -18.760 1.00 0.00 H new ATOM 0 HD3 ARG A 126 22.115 8.408 -18.082 1.00 0.00 H new ATOM 0 HE ARG A 126 22.154 9.952 -19.823 1.00 0.00 H new ATOM 0 HH11 ARG A 126 25.256 8.285 -19.597 1.00 0.00 H new ATOM 0 HH12 ARG A 126 25.873 8.986 -21.097 1.00 0.00 H new ATOM 0 HH21 ARG A 126 22.952 10.848 -21.748 1.00 0.00 H new ATOM 0 HH22 ARG A 126 24.574 10.431 -22.310 1.00 0.00 H new ATOM 663 N LEU A 127 24.413 8.644 -13.064 1.00 0.00 N ATOM 664 CA LEU A 127 25.448 8.903 -12.068 1.00 0.00 C ATOM 665 C LEU A 127 25.156 8.154 -10.772 1.00 0.00 C ATOM 666 O LEU A 127 24.788 6.980 -10.791 1.00 0.00 O ATOM 667 CB LEU A 127 25.550 10.404 -11.791 1.00 0.00 C ATOM 668 CG LEU A 127 26.159 11.253 -12.908 1.00 0.00 C ATOM 669 CD1 LEU A 127 25.069 11.788 -13.825 1.00 0.00 C ATOM 670 CD2 LEU A 127 26.975 12.397 -12.324 1.00 0.00 C ATOM 0 H LEU A 127 23.463 8.827 -12.742 1.00 0.00 H new ATOM 0 HA LEU A 127 26.398 8.547 -12.465 1.00 0.00 H new ATOM 0 HB2 LEU A 127 24.550 10.783 -11.578 1.00 0.00 H new ATOM 0 HB3 LEU A 127 26.144 10.547 -10.888 1.00 0.00 H new ATOM 0 HG LEU A 127 26.825 10.622 -13.497 1.00 0.00 H new ATOM 0 HD11 LEU A 127 25.520 12.390 -14.614 1.00 0.00 H new ATOM 0 HD12 LEU A 127 24.526 10.954 -14.270 1.00 0.00 H new ATOM 0 HD13 LEU A 127 24.379 12.404 -13.249 1.00 0.00 H new ATOM 0 HD21 LEU A 127 27.401 12.990 -13.133 1.00 0.00 H new ATOM 0 HD22 LEU A 127 26.331 13.028 -11.712 1.00 0.00 H new ATOM 0 HD23 LEU A 127 27.779 11.993 -11.708 1.00 0.00 H new TER 682 LEU A 127