USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 614 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 1 LYS N :NH3+ 139:sc= 0.0838 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -2.14 K(o=-2.1,f=-1.4) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 17 MET CE :methyl 162:sc= 0 (180deg=-0.457) USER MOD Single : A 19 LYS NZ :NH3+ -174:sc= 1.23 (180deg=1.13) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 33 LYS NZ :NH3+ -163:sc= -0.0467 (180deg=-0.428) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -161:sc= -0.0584 (180deg=-0.5) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -135:sc= -1.19 (180deg=-3.58!) USER MOD Single : A 49 LYS NZ :NH3+ -165:sc= -0.0473 (180deg=-0.444) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : A 56 LYS NZ :NH3+ -162:sc=-0.00313 (180deg=-0.297) USER MOD Single : A 57 LYS NZ :NH3+ 163:sc= -0.0648 (180deg=-0.547) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -1.888 7.389 -54.024 1.00 0.00 N ATOM 2 CA LYS A 1 -1.264 7.732 -52.716 1.00 0.00 C ATOM 3 C LYS A 1 -1.669 6.693 -51.676 1.00 0.00 C ATOM 4 O LYS A 1 -2.719 6.061 -51.796 1.00 0.00 O ATOM 5 CB LYS A 1 -1.745 9.116 -52.279 1.00 0.00 C ATOM 6 CG LYS A 1 -0.877 9.626 -51.127 1.00 0.00 C ATOM 7 CD LYS A 1 -1.325 11.032 -50.719 1.00 0.00 C ATOM 8 CE LYS A 1 -0.863 12.053 -51.761 1.00 0.00 C ATOM 9 NZ LYS A 1 -1.152 13.431 -51.273 1.00 0.00 N ATOM 0 H1 LYS A 1 -2.231 8.257 -54.483 1.00 0.00 H new ATOM 0 H2 LYS A 1 -1.183 6.930 -54.635 1.00 0.00 H new ATOM 0 H3 LYS A 1 -2.686 6.741 -53.868 1.00 0.00 H new ATOM 0 HA LYS A 1 -0.178 7.739 -52.813 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -1.696 9.810 -53.118 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -2.788 9.067 -51.966 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -0.953 8.949 -50.276 1.00 0.00 H new ATOM 0 HG3 LYS A 1 0.170 9.642 -51.429 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -2.410 11.063 -50.624 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -0.912 11.285 -49.742 1.00 0.00 H new ATOM 0 HE2 LYS A 1 0.205 11.939 -51.948 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -1.373 11.877 -52.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -0.837 14.124 -51.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -2.175 13.536 -51.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -0.646 13.596 -50.380 1.00 0.00 H new ATOM 22 N GLN A 2 -0.826 6.535 -50.662 1.00 0.00 N ATOM 23 CA GLN A 2 -1.086 5.582 -49.588 1.00 0.00 C ATOM 24 C GLN A 2 -2.261 6.048 -48.735 1.00 0.00 C ATOM 25 O GLN A 2 -2.303 7.204 -48.313 1.00 0.00 O ATOM 26 CB GLN A 2 0.157 5.414 -48.710 1.00 0.00 C ATOM 27 CG GLN A 2 0.661 6.777 -48.224 1.00 0.00 C ATOM 28 CD GLN A 2 1.932 6.620 -47.397 1.00 0.00 C ATOM 29 OE1 GLN A 2 2.704 5.683 -47.598 1.00 0.00 O ATOM 30 NE2 GLN A 2 2.207 7.509 -46.483 1.00 0.00 N ATOM 0 H GLN A 2 0.045 7.055 -50.561 1.00 0.00 H new ATOM 0 HA GLN A 2 -1.335 4.621 -50.037 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -0.078 4.781 -47.854 1.00 0.00 H new ATOM 0 HB3 GLN A 2 0.942 4.910 -49.274 1.00 0.00 H new ATOM 0 HG2 GLN A 2 0.856 7.424 -49.079 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -0.110 7.263 -47.626 1.00 0.00 H new ATOM 0 HE21 GLN A 2 1.566 8.285 -46.317 1.00 0.00 H new ATOM 0 HE22 GLN A 2 3.063 7.428 -45.934 1.00 0.00 H new ATOM 39 N GLN A 3 -3.206 5.143 -48.499 1.00 0.00 N ATOM 40 CA GLN A 3 -4.380 5.460 -47.695 1.00 0.00 C ATOM 41 C GLN A 3 -3.981 5.740 -46.251 1.00 0.00 C ATOM 42 O GLN A 3 -4.578 6.600 -45.602 1.00 0.00 O ATOM 43 CB GLN A 3 -5.380 4.303 -47.742 1.00 0.00 C ATOM 44 CG GLN A 3 -5.949 4.189 -49.157 1.00 0.00 C ATOM 45 CD GLN A 3 -6.877 2.982 -49.244 1.00 0.00 C ATOM 46 OE1 GLN A 3 -6.427 1.845 -49.121 1.00 0.00 O ATOM 47 NE2 GLN A 3 -8.154 3.164 -49.439 1.00 0.00 N ATOM 0 H GLN A 3 -3.181 4.187 -48.852 1.00 0.00 H new ATOM 0 HA GLN A 3 -4.848 6.354 -48.108 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -4.891 3.372 -47.458 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -6.184 4.472 -47.026 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -6.494 5.097 -49.414 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -5.138 4.089 -49.878 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -8.525 4.109 -49.541 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -8.782 2.362 -49.490 1.00 0.00 H new ATOM 56 N GLU A 4 -2.993 4.998 -45.758 1.00 0.00 N ATOM 57 CA GLU A 4 -2.527 5.153 -44.383 1.00 0.00 C ATOM 58 C GLU A 4 -3.653 4.883 -43.390 1.00 0.00 C ATOM 59 O GLU A 4 -3.543 5.249 -42.220 1.00 0.00 O ATOM 60 CB GLU A 4 -1.979 6.566 -44.170 1.00 0.00 C ATOM 61 CG GLU A 4 -0.605 6.698 -44.831 1.00 0.00 C ATOM 62 CD GLU A 4 -0.128 8.144 -44.745 1.00 0.00 C ATOM 63 OE1 GLU A 4 0.987 8.353 -44.296 1.00 0.00 O ATOM 64 OE2 GLU A 4 -0.873 9.019 -45.153 1.00 0.00 O ATOM 0 H GLU A 4 -2.499 4.282 -46.291 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.733 4.426 -44.211 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.667 7.299 -44.591 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.901 6.778 -43.104 1.00 0.00 H new ATOM 0 HG2 GLU A 4 0.110 6.039 -44.339 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.661 6.385 -45.874 1.00 0.00 H new ATOM 71 N GLU A 5 -4.713 4.222 -43.847 1.00 0.00 N ATOM 72 CA GLU A 5 -5.839 3.894 -42.982 1.00 0.00 C ATOM 73 C GLU A 5 -5.395 2.953 -41.867 1.00 0.00 C ATOM 74 O GLU A 5 -5.798 3.103 -40.713 1.00 0.00 O ATOM 75 CB GLU A 5 -6.947 3.246 -43.816 1.00 0.00 C ATOM 76 CG GLU A 5 -7.632 4.294 -44.698 1.00 0.00 C ATOM 77 CD GLU A 5 -8.527 3.644 -45.751 1.00 0.00 C ATOM 78 OE1 GLU A 5 -8.696 2.437 -45.726 1.00 0.00 O ATOM 79 OE2 GLU A 5 -9.032 4.376 -46.586 1.00 0.00 O ATOM 0 H GLU A 5 -4.814 3.904 -44.811 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.220 4.808 -42.526 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -6.528 2.455 -44.438 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.680 2.779 -43.158 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.228 4.961 -44.075 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.876 4.907 -45.190 1.00 0.00 H new ATOM 86 N GLU A 6 -4.570 1.987 -42.250 1.00 0.00 N ATOM 87 CA GLU A 6 -4.101 1.026 -41.256 1.00 0.00 C ATOM 88 C GLU A 6 -3.319 1.752 -40.166 1.00 0.00 C ATOM 89 O GLU A 6 -3.454 1.442 -38.982 1.00 0.00 O ATOM 90 CB GLU A 6 -3.217 -0.029 -41.924 1.00 0.00 C ATOM 91 CG GLU A 6 -4.068 -0.920 -42.832 1.00 0.00 C ATOM 92 CD GLU A 6 -3.211 -1.950 -43.563 1.00 0.00 C ATOM 93 OE1 GLU A 6 -3.790 -2.754 -44.274 1.00 0.00 O ATOM 94 OE2 GLU A 6 -2.000 -1.935 -43.411 1.00 0.00 O ATOM 0 H GLU A 6 -4.223 1.848 -43.199 1.00 0.00 H new ATOM 0 HA GLU A 6 -4.960 0.529 -40.806 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -2.433 0.456 -42.506 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -2.722 -0.635 -41.165 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.825 -1.431 -42.237 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -4.596 -0.303 -43.558 1.00 0.00 H new ATOM 101 N ALA A 7 -2.483 2.693 -40.591 1.00 0.00 N ATOM 102 CA ALA A 7 -1.654 3.426 -39.641 1.00 0.00 C ATOM 103 C ALA A 7 -2.555 4.154 -38.646 1.00 0.00 C ATOM 104 O ALA A 7 -2.273 4.158 -37.448 1.00 0.00 O ATOM 105 CB ALA A 7 -0.791 4.449 -40.383 1.00 0.00 C ATOM 0 H ALA A 7 -2.362 2.963 -41.567 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.006 2.726 -39.113 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.175 4.993 -39.667 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.149 3.934 -41.097 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.434 5.151 -40.914 1.00 0.00 H new ATOM 111 N GLU A 8 -3.643 4.741 -39.135 1.00 0.00 N ATOM 112 CA GLU A 8 -4.575 5.438 -38.255 1.00 0.00 C ATOM 113 C GLU A 8 -5.184 4.461 -37.252 1.00 0.00 C ATOM 114 O GLU A 8 -5.269 4.760 -36.060 1.00 0.00 O ATOM 115 CB GLU A 8 -5.681 6.070 -39.104 1.00 0.00 C ATOM 116 CG GLU A 8 -5.104 7.218 -39.936 1.00 0.00 C ATOM 117 CD GLU A 8 -4.675 8.372 -39.034 1.00 0.00 C ATOM 118 OE1 GLU A 8 -5.355 8.624 -38.053 1.00 0.00 O ATOM 119 OE2 GLU A 8 -3.661 8.987 -39.322 1.00 0.00 O ATOM 0 H GLU A 8 -3.899 4.749 -40.122 1.00 0.00 H new ATOM 0 HA GLU A 8 -4.044 6.214 -37.704 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.122 5.320 -39.760 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -6.479 6.440 -38.461 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.250 6.863 -40.513 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.849 7.566 -40.651 1.00 0.00 H new ATOM 126 N ARG A 9 -5.562 3.290 -37.753 1.00 0.00 N ATOM 127 CA ARG A 9 -6.126 2.272 -36.872 1.00 0.00 C ATOM 128 C ARG A 9 -5.093 1.823 -35.842 1.00 0.00 C ATOM 129 O ARG A 9 -5.396 1.679 -34.656 1.00 0.00 O ATOM 130 CB ARG A 9 -6.600 1.068 -37.687 1.00 0.00 C ATOM 131 CG ARG A 9 -7.266 0.050 -36.757 1.00 0.00 C ATOM 132 CD ARG A 9 -7.807 -1.113 -37.588 1.00 0.00 C ATOM 133 NE ARG A 9 -6.725 -1.835 -38.247 1.00 0.00 N ATOM 134 CZ ARG A 9 -6.949 -2.785 -39.151 1.00 0.00 C ATOM 135 NH1 ARG A 9 -8.165 -3.119 -39.493 1.00 0.00 N ATOM 136 NH2 ARG A 9 -5.940 -3.397 -39.710 1.00 0.00 N ATOM 0 H ARG A 9 -5.492 3.026 -38.736 1.00 0.00 H new ATOM 0 HA ARG A 9 -6.978 2.707 -36.350 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -7.304 1.390 -38.455 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -5.756 0.609 -38.201 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.547 -0.315 -36.024 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -8.076 0.523 -36.201 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -8.365 -1.794 -36.946 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -8.505 -0.736 -38.335 1.00 0.00 H new ATOM 0 HE ARG A 9 -5.761 -1.603 -38.006 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -8.963 -2.649 -39.065 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -8.317 -3.850 -40.188 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -4.985 -3.146 -39.453 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -6.106 -4.126 -40.404 1.00 0.00 H new ATOM 150 N LEU A 10 -3.873 1.621 -36.323 1.00 0.00 N ATOM 151 CA LEU A 10 -2.753 1.200 -35.490 1.00 0.00 C ATOM 152 C LEU A 10 -2.450 2.245 -34.423 1.00 0.00 C ATOM 153 O LEU A 10 -2.141 1.895 -33.284 1.00 0.00 O ATOM 154 CB LEU A 10 -1.488 0.954 -36.316 1.00 0.00 C ATOM 155 CG LEU A 10 -0.418 0.278 -35.450 1.00 0.00 C ATOM 156 CD1 LEU A 10 0.437 -0.658 -36.309 1.00 0.00 C ATOM 157 CD2 LEU A 10 0.493 1.325 -34.802 1.00 0.00 C ATOM 0 H LEU A 10 -3.631 1.745 -37.306 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.049 0.263 -35.017 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.722 0.326 -37.176 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.109 1.899 -36.705 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.923 -0.292 -34.670 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.194 -1.134 -35.686 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.198 -1.423 -36.756 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.924 -0.085 -37.098 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.245 0.825 -34.192 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.986 1.909 -35.579 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.103 1.987 -34.173 1.00 0.00 H new ATOM 169 N ARG A 11 -2.550 3.521 -34.790 1.00 0.00 N ATOM 170 CA ARG A 11 -2.282 4.618 -33.870 1.00 0.00 C ATOM 171 C ARG A 11 -3.255 4.620 -32.696 1.00 0.00 C ATOM 172 O ARG A 11 -2.848 4.817 -31.551 1.00 0.00 O ATOM 173 CB ARG A 11 -2.389 5.946 -34.620 1.00 0.00 C ATOM 174 CG ARG A 11 -1.819 7.063 -33.743 1.00 0.00 C ATOM 175 CD ARG A 11 -2.062 8.418 -34.411 1.00 0.00 C ATOM 176 NE ARG A 11 -1.432 8.479 -35.727 1.00 0.00 N ATOM 177 CZ ARG A 11 -2.028 8.983 -36.807 1.00 0.00 C ATOM 178 NH1 ARG A 11 -3.236 9.475 -36.756 1.00 0.00 N ATOM 179 NH2 ARG A 11 -1.403 8.992 -37.952 1.00 0.00 N ATOM 0 H ARG A 11 -2.817 3.820 -35.728 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.276 4.486 -33.473 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -1.843 5.891 -35.562 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.430 6.156 -34.867 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.289 7.042 -32.760 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -0.751 6.909 -33.589 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.134 8.591 -34.510 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -1.668 9.214 -33.779 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.484 8.116 -35.825 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -3.748 9.480 -35.874 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -3.668 9.854 -37.598 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.458 8.613 -38.020 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.859 9.378 -38.779 1.00 0.00 H new ATOM 193 N ARG A 12 -4.531 4.388 -32.982 1.00 0.00 N ATOM 194 CA ARG A 12 -5.555 4.355 -31.943 1.00 0.00 C ATOM 195 C ARG A 12 -5.300 3.220 -30.957 1.00 0.00 C ATOM 196 O ARG A 12 -5.483 3.382 -29.749 1.00 0.00 O ATOM 197 CB ARG A 12 -6.934 4.187 -32.579 1.00 0.00 C ATOM 198 CG ARG A 12 -7.279 5.453 -33.366 1.00 0.00 C ATOM 199 CD ARG A 12 -8.638 5.257 -34.040 1.00 0.00 C ATOM 200 NE ARG A 12 -8.997 6.413 -34.855 1.00 0.00 N ATOM 201 CZ ARG A 12 -10.116 6.459 -35.574 1.00 0.00 C ATOM 202 NH1 ARG A 12 -10.957 5.459 -35.584 1.00 0.00 N ATOM 203 NH2 ARG A 12 -10.379 7.518 -36.289 1.00 0.00 N ATOM 0 H ARG A 12 -4.882 4.220 -33.925 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.517 5.298 -31.397 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.941 3.320 -33.240 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.684 4.007 -31.809 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -7.308 6.315 -32.700 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.512 5.654 -34.114 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -8.611 4.364 -34.664 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -9.403 5.093 -33.281 1.00 0.00 H new ATOM 0 HE ARG A 12 -8.367 7.215 -34.874 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -10.762 4.623 -35.034 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -11.809 5.515 -36.142 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.729 8.304 -36.295 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -11.235 7.560 -36.842 1.00 0.00 H new ATOM 217 N ILE A 13 -4.904 2.075 -31.503 1.00 0.00 N ATOM 218 CA ILE A 13 -4.657 0.902 -30.670 1.00 0.00 C ATOM 219 C ILE A 13 -3.524 1.190 -29.692 1.00 0.00 C ATOM 220 O ILE A 13 -3.611 0.813 -28.522 1.00 0.00 O ATOM 221 CB ILE A 13 -4.288 -0.304 -31.541 1.00 0.00 C ATOM 222 CG1 ILE A 13 -5.497 -0.691 -32.396 1.00 0.00 C ATOM 223 CG2 ILE A 13 -3.901 -1.492 -30.655 1.00 0.00 C ATOM 224 CD1 ILE A 13 -5.061 -1.656 -33.502 1.00 0.00 C ATOM 0 H ILE A 13 -4.749 1.934 -32.501 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.567 0.672 -30.115 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.444 -0.042 -32.179 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.260 -1.158 -31.773 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.945 0.201 -32.834 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.640 -2.344 -31.283 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.045 -1.221 -30.037 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.742 -1.757 -30.014 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.925 -1.929 -34.108 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.313 -1.174 -34.132 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.634 -2.553 -33.054 1.00 0.00 H new ATOM 236 N GLN A 14 -2.463 1.836 -30.168 1.00 0.00 N ATOM 237 CA GLN A 14 -1.308 2.157 -29.340 1.00 0.00 C ATOM 238 C GLN A 14 -1.711 3.078 -28.194 1.00 0.00 C ATOM 239 O GLN A 14 -1.244 2.904 -27.068 1.00 0.00 O ATOM 240 CB GLN A 14 -0.223 2.833 -30.181 1.00 0.00 C ATOM 241 CG GLN A 14 1.057 2.973 -29.353 1.00 0.00 C ATOM 242 CD GLN A 14 2.165 3.607 -30.189 1.00 0.00 C ATOM 243 OE1 GLN A 14 2.236 3.398 -31.400 1.00 0.00 O ATOM 244 NE2 GLN A 14 3.041 4.381 -29.611 1.00 0.00 N ATOM 0 H GLN A 14 -2.381 2.150 -31.135 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.916 1.227 -28.928 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.025 2.246 -31.078 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.564 3.814 -30.511 1.00 0.00 H new ATOM 0 HG2 GLN A 14 0.863 3.584 -28.472 1.00 0.00 H new ATOM 0 HG3 GLN A 14 1.376 1.993 -28.997 1.00 0.00 H new ATOM 0 HE21 GLN A 14 2.984 4.556 -28.608 1.00 0.00 H new ATOM 0 HE22 GLN A 14 3.783 4.812 -30.162 1.00 0.00 H new ATOM 253 N GLU A 15 -2.580 4.048 -28.469 1.00 0.00 N ATOM 254 CA GLU A 15 -3.045 4.987 -27.457 1.00 0.00 C ATOM 255 C GLU A 15 -3.824 4.287 -26.348 1.00 0.00 C ATOM 256 O GLU A 15 -3.661 4.608 -25.171 1.00 0.00 O ATOM 257 CB GLU A 15 -3.932 6.042 -28.123 1.00 0.00 C ATOM 258 CG GLU A 15 -3.091 6.926 -29.048 1.00 0.00 C ATOM 259 CD GLU A 15 -2.080 7.731 -28.237 1.00 0.00 C ATOM 260 OE1 GLU A 15 -0.910 7.698 -28.582 1.00 0.00 O ATOM 261 OE2 GLU A 15 -2.494 8.366 -27.281 1.00 0.00 O ATOM 0 H GLU A 15 -2.978 4.203 -29.395 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.173 5.456 -27.001 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.724 5.556 -28.692 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.416 6.655 -27.362 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.571 6.307 -29.779 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.740 7.601 -29.606 1.00 0.00 H new ATOM 268 N GLU A 16 -4.673 3.348 -26.749 1.00 0.00 N ATOM 269 CA GLU A 16 -5.483 2.623 -25.777 1.00 0.00 C ATOM 270 C GLU A 16 -4.608 1.826 -24.817 1.00 0.00 C ATOM 271 O GLU A 16 -4.864 1.792 -23.613 1.00 0.00 O ATOM 272 CB GLU A 16 -6.456 1.685 -26.495 1.00 0.00 C ATOM 273 CG GLU A 16 -7.508 2.513 -27.238 1.00 0.00 C ATOM 274 CD GLU A 16 -8.335 3.336 -26.256 1.00 0.00 C ATOM 275 OE1 GLU A 16 -8.355 4.548 -26.395 1.00 0.00 O ATOM 276 OE2 GLU A 16 -8.932 2.743 -25.373 1.00 0.00 O ATOM 0 H GLU A 16 -4.817 3.074 -27.721 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.048 3.354 -25.198 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.915 1.050 -27.197 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.939 1.025 -25.775 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.019 3.174 -27.954 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.162 1.853 -27.809 1.00 0.00 H new ATOM 283 N MET A 17 -3.579 1.189 -25.366 1.00 0.00 N ATOM 284 CA MET A 17 -2.662 0.383 -24.567 1.00 0.00 C ATOM 285 C MET A 17 -1.957 1.245 -23.527 1.00 0.00 C ATOM 286 O MET A 17 -1.777 0.814 -22.387 1.00 0.00 O ATOM 287 CB MET A 17 -1.615 -0.280 -25.465 1.00 0.00 C ATOM 288 CG MET A 17 -2.281 -1.370 -26.309 1.00 0.00 C ATOM 289 SD MET A 17 -1.040 -2.147 -27.373 1.00 0.00 S ATOM 290 CE MET A 17 -2.121 -3.410 -28.090 1.00 0.00 C ATOM 0 H MET A 17 -3.359 1.215 -26.362 1.00 0.00 H new ATOM 0 HA MET A 17 -3.244 -0.386 -24.060 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.153 0.465 -26.113 1.00 0.00 H new ATOM 0 HB3 MET A 17 -0.820 -0.711 -24.857 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.740 -2.117 -25.662 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.078 -0.940 -26.915 1.00 0.00 H new ATOM 0 HE1 MET A 17 -1.668 -3.803 -29.000 1.00 0.00 H new ATOM 0 HE2 MET A 17 -2.259 -4.220 -27.374 1.00 0.00 H new ATOM 0 HE3 MET A 17 -3.089 -2.968 -28.328 1.00 0.00 H new ATOM 300 N GLU A 18 -1.563 2.455 -23.913 1.00 0.00 N ATOM 301 CA GLU A 18 -0.877 3.364 -23.004 1.00 0.00 C ATOM 302 C GLU A 18 -1.768 3.712 -21.815 1.00 0.00 C ATOM 303 O GLU A 18 -1.296 3.746 -20.679 1.00 0.00 O ATOM 304 CB GLU A 18 -0.491 4.640 -23.753 1.00 0.00 C ATOM 305 CG GLU A 18 0.633 4.342 -24.747 1.00 0.00 C ATOM 306 CD GLU A 18 1.902 3.947 -24.001 1.00 0.00 C ATOM 307 OE1 GLU A 18 2.322 4.711 -23.147 1.00 0.00 O ATOM 308 OE2 GLU A 18 2.423 2.880 -24.277 1.00 0.00 O ATOM 0 H GLU A 18 -1.708 2.828 -24.851 1.00 0.00 H new ATOM 0 HA GLU A 18 0.021 2.873 -22.630 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.358 5.039 -24.280 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.169 5.404 -23.045 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.331 3.538 -25.418 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.824 5.219 -25.366 1.00 0.00 H new ATOM 315 N LYS A 19 -3.046 3.960 -22.081 1.00 0.00 N ATOM 316 CA LYS A 19 -3.984 4.304 -21.018 1.00 0.00 C ATOM 317 C LYS A 19 -4.106 3.141 -20.038 1.00 0.00 C ATOM 318 O LYS A 19 -4.103 3.344 -18.823 1.00 0.00 O ATOM 319 CB LYS A 19 -5.355 4.601 -21.632 1.00 0.00 C ATOM 320 CG LYS A 19 -5.239 5.787 -22.593 1.00 0.00 C ATOM 321 CD LYS A 19 -6.553 5.957 -23.358 1.00 0.00 C ATOM 322 CE LYS A 19 -6.363 6.995 -24.467 1.00 0.00 C ATOM 323 NZ LYS A 19 -7.570 7.011 -25.341 1.00 0.00 N ATOM 0 H LYS A 19 -3.454 3.930 -23.015 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.621 5.183 -20.485 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.725 3.724 -22.163 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -6.076 4.825 -20.846 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.009 6.697 -22.038 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.418 5.623 -23.291 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.864 5.004 -23.786 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.344 6.275 -22.679 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.201 7.982 -24.033 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.477 6.757 -25.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.403 7.640 -26.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.763 6.048 -25.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.387 7.356 -24.798 1.00 0.00 H new ATOM 337 N GLU A 20 -4.191 1.929 -20.579 1.00 0.00 N ATOM 338 CA GLU A 20 -4.296 0.730 -19.755 1.00 0.00 C ATOM 339 C GLU A 20 -3.046 0.560 -18.901 1.00 0.00 C ATOM 340 O GLU A 20 -3.132 0.216 -17.722 1.00 0.00 O ATOM 341 CB GLU A 20 -4.493 -0.512 -20.625 1.00 0.00 C ATOM 342 CG GLU A 20 -5.869 -0.455 -21.293 1.00 0.00 C ATOM 343 CD GLU A 20 -6.077 -1.683 -22.172 1.00 0.00 C ATOM 344 OE1 GLU A 20 -5.159 -2.039 -22.893 1.00 0.00 O ATOM 345 OE2 GLU A 20 -7.150 -2.259 -22.102 1.00 0.00 O ATOM 0 H GLU A 20 -4.189 1.752 -21.583 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.163 0.846 -19.104 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.711 -0.566 -21.383 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.410 -1.412 -20.016 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.649 -0.406 -20.533 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.953 0.450 -21.894 1.00 0.00 H new ATOM 352 N ARG A 21 -1.889 0.803 -19.514 1.00 0.00 N ATOM 353 CA ARG A 21 -0.619 0.668 -18.812 1.00 0.00 C ATOM 354 C ARG A 21 -0.554 1.647 -17.646 1.00 0.00 C ATOM 355 O ARG A 21 -0.123 1.281 -16.552 1.00 0.00 O ATOM 356 CB ARG A 21 0.542 0.943 -19.770 1.00 0.00 C ATOM 357 CG ARG A 21 0.685 -0.221 -20.752 1.00 0.00 C ATOM 358 CD ARG A 21 1.779 0.106 -21.772 1.00 0.00 C ATOM 359 NE ARG A 21 1.944 -1.017 -22.687 1.00 0.00 N ATOM 360 CZ ARG A 21 2.680 -2.085 -22.386 1.00 0.00 C ATOM 361 NH1 ARG A 21 3.292 -2.189 -21.237 1.00 0.00 N ATOM 362 NH2 ARG A 21 2.788 -3.057 -23.251 1.00 0.00 N ATOM 0 H ARG A 21 -1.807 1.092 -20.489 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.541 -0.350 -18.431 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.366 1.871 -20.314 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.467 1.074 -19.208 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.935 -1.136 -20.215 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.262 -0.399 -21.262 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.515 1.006 -22.328 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.719 0.312 -21.259 1.00 0.00 H new ATOM 0 HE ARG A 21 1.477 -0.983 -23.593 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.212 -1.442 -20.547 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.850 -3.017 -21.030 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.310 -2.995 -24.150 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.350 -3.878 -23.028 1.00 0.00 H new ATOM 376 N LYS A 22 -1.002 2.877 -17.879 1.00 0.00 N ATOM 377 CA LYS A 22 -1.011 3.899 -16.840 1.00 0.00 C ATOM 378 C LYS A 22 -1.929 3.488 -15.694 1.00 0.00 C ATOM 379 O LYS A 22 -1.587 3.664 -14.524 1.00 0.00 O ATOM 380 CB LYS A 22 -1.475 5.239 -17.417 1.00 0.00 C ATOM 381 CG LYS A 22 -0.399 5.787 -18.356 1.00 0.00 C ATOM 382 CD LYS A 22 -0.865 7.122 -18.940 1.00 0.00 C ATOM 383 CE LYS A 22 0.217 7.680 -19.867 1.00 0.00 C ATOM 384 NZ LYS A 22 -0.244 8.975 -20.444 1.00 0.00 N ATOM 0 H LYS A 22 -1.364 3.190 -18.780 1.00 0.00 H new ATOM 0 HA LYS A 22 0.004 4.007 -16.458 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.413 5.110 -17.957 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.666 5.948 -16.611 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.537 5.922 -17.815 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.204 5.075 -19.158 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.795 6.985 -19.491 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.071 7.830 -18.137 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.145 7.826 -19.314 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.430 6.969 -20.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.491 9.355 -21.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.119 8.822 -20.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.426 9.652 -19.676 1.00 0.00 H new ATOM 398 N ARG A 23 -3.088 2.940 -16.045 1.00 0.00 N ATOM 399 CA ARG A 23 -4.054 2.514 -15.039 1.00 0.00 C ATOM 400 C ARG A 23 -3.451 1.426 -14.154 1.00 0.00 C ATOM 401 O ARG A 23 -3.612 1.452 -12.933 1.00 0.00 O ATOM 402 CB ARG A 23 -5.311 1.976 -15.726 1.00 0.00 C ATOM 403 CG ARG A 23 -6.373 1.631 -14.679 1.00 0.00 C ATOM 404 CD ARG A 23 -7.624 1.085 -15.368 1.00 0.00 C ATOM 405 NE ARG A 23 -8.673 0.876 -14.375 1.00 0.00 N ATOM 406 CZ ARG A 23 -9.409 1.876 -13.895 1.00 0.00 C ATOM 407 NH1 ARG A 23 -9.217 3.109 -14.282 1.00 0.00 N ATOM 408 NH2 ARG A 23 -10.337 1.627 -13.012 1.00 0.00 N ATOM 0 H ARG A 23 -3.379 2.781 -17.010 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.316 3.371 -14.418 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.702 2.719 -16.421 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.065 1.090 -16.312 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.981 0.893 -13.980 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.625 2.518 -14.098 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -7.966 1.783 -16.132 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -7.394 0.147 -15.873 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.848 -0.070 -14.037 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.491 3.322 -14.966 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.793 3.859 -13.900 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.495 0.671 -12.694 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.905 2.389 -12.640 1.00 0.00 H new ATOM 422 N ARG A 24 -2.752 0.491 -14.785 1.00 0.00 N ATOM 423 CA ARG A 24 -2.124 -0.590 -14.035 1.00 0.00 C ATOM 424 C ARG A 24 -1.083 -0.024 -13.074 1.00 0.00 C ATOM 425 O ARG A 24 -0.994 -0.452 -11.923 1.00 0.00 O ATOM 426 CB ARG A 24 -1.467 -1.583 -14.994 1.00 0.00 C ATOM 427 CG ARG A 24 -0.906 -2.767 -14.204 1.00 0.00 C ATOM 428 CD ARG A 24 -0.297 -3.772 -15.181 1.00 0.00 C ATOM 429 NE ARG A 24 0.280 -4.909 -14.470 1.00 0.00 N ATOM 430 CZ ARG A 24 0.831 -5.941 -15.104 1.00 0.00 C ATOM 431 NH1 ARG A 24 0.880 -5.985 -16.409 1.00 0.00 N ATOM 432 NH2 ARG A 24 1.334 -6.927 -14.413 1.00 0.00 N ATOM 0 H ARG A 24 -2.607 0.458 -15.794 1.00 0.00 H new ATOM 0 HA ARG A 24 -2.890 -1.110 -13.460 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.195 -1.933 -15.725 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.668 -1.093 -15.550 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.151 -2.424 -13.497 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.697 -3.240 -13.621 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.063 -4.122 -15.873 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.473 -3.283 -15.778 1.00 0.00 H new ATOM 0 HE ARG A 24 0.260 -4.912 -13.450 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.492 -5.220 -16.960 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.307 -6.785 -16.877 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.303 -6.903 -13.394 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.758 -7.721 -14.892 1.00 0.00 H new ATOM 446 N GLU A 25 -0.304 0.936 -13.563 1.00 0.00 N ATOM 447 CA GLU A 25 0.732 1.548 -12.739 1.00 0.00 C ATOM 448 C GLU A 25 0.096 2.243 -11.539 1.00 0.00 C ATOM 449 O GLU A 25 0.590 2.125 -10.417 1.00 0.00 O ATOM 450 CB GLU A 25 1.523 2.563 -13.568 1.00 0.00 C ATOM 451 CG GLU A 25 2.701 3.103 -12.753 1.00 0.00 C ATOM 452 CD GLU A 25 3.522 4.078 -13.591 1.00 0.00 C ATOM 453 OE1 GLU A 25 4.734 3.937 -13.606 1.00 0.00 O ATOM 454 OE2 GLU A 25 2.929 4.952 -14.202 1.00 0.00 O ATOM 0 H GLU A 25 -0.369 1.303 -14.513 1.00 0.00 H new ATOM 0 HA GLU A 25 1.410 0.772 -12.384 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.888 2.093 -14.481 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.872 3.384 -13.870 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.333 3.603 -11.857 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.331 2.278 -12.421 1.00 0.00 H new ATOM 461 N GLU A 26 -1.004 2.948 -11.786 1.00 0.00 N ATOM 462 CA GLU A 26 -1.704 3.649 -10.717 1.00 0.00 C ATOM 463 C GLU A 26 -2.220 2.657 -9.682 1.00 0.00 C ATOM 464 O GLU A 26 -2.095 2.884 -8.478 1.00 0.00 O ATOM 465 CB GLU A 26 -2.880 4.446 -11.286 1.00 0.00 C ATOM 466 CG GLU A 26 -2.363 5.621 -12.120 1.00 0.00 C ATOM 467 CD GLU A 26 -3.510 6.392 -12.769 1.00 0.00 C ATOM 468 OE1 GLU A 26 -4.659 6.115 -12.466 1.00 0.00 O ATOM 469 OE2 GLU A 26 -3.219 7.253 -13.582 1.00 0.00 O ATOM 0 H GLU A 26 -1.426 3.048 -12.709 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.002 4.333 -10.240 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.504 3.799 -11.902 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -3.507 4.814 -10.474 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.784 6.293 -11.486 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.688 5.252 -12.892 1.00 0.00 H new ATOM 476 N ASP A 27 -2.777 1.549 -10.163 1.00 0.00 N ATOM 477 CA ASP A 27 -3.295 0.504 -9.288 1.00 0.00 C ATOM 478 C ASP A 27 -2.165 -0.091 -8.454 1.00 0.00 C ATOM 479 O ASP A 27 -2.327 -0.336 -7.258 1.00 0.00 O ATOM 480 CB ASP A 27 -3.969 -0.597 -10.110 1.00 0.00 C ATOM 481 CG ASP A 27 -4.812 -1.482 -9.199 1.00 0.00 C ATOM 482 OD1 ASP A 27 -4.516 -2.662 -9.109 1.00 0.00 O ATOM 483 OD2 ASP A 27 -5.748 -0.966 -8.611 1.00 0.00 O ATOM 0 H ASP A 27 -2.881 1.352 -11.158 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.035 0.947 -8.622 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.597 -0.153 -10.883 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.214 -1.197 -10.618 1.00 0.00 H new ATOM 488 N GLU A 28 -1.026 -0.308 -9.104 1.00 0.00 N ATOM 489 CA GLU A 28 0.129 -0.879 -8.419 1.00 0.00 C ATOM 490 C GLU A 28 0.582 0.053 -7.299 1.00 0.00 C ATOM 491 O GLU A 28 0.886 -0.399 -6.194 1.00 0.00 O ATOM 492 CB GLU A 28 1.275 -1.100 -9.409 1.00 0.00 C ATOM 493 CG GLU A 28 2.441 -1.803 -8.707 1.00 0.00 C ATOM 494 CD GLU A 28 2.060 -3.224 -8.305 1.00 0.00 C ATOM 495 OE1 GLU A 28 2.648 -3.725 -7.361 1.00 0.00 O ATOM 496 OE2 GLU A 28 1.201 -3.808 -8.947 1.00 0.00 O ATOM 0 H GLU A 28 -0.878 -0.100 -10.092 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.156 -1.840 -7.991 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.930 -1.701 -10.250 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.606 -0.144 -9.815 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.307 -1.828 -9.369 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.732 -1.237 -7.822 1.00 0.00 H new ATOM 503 N GLN A 29 0.611 1.348 -7.591 1.00 0.00 N ATOM 504 CA GLN A 29 1.026 2.333 -6.599 1.00 0.00 C ATOM 505 C GLN A 29 0.071 2.313 -5.410 1.00 0.00 C ATOM 506 O GLN A 29 0.508 2.371 -4.260 1.00 0.00 O ATOM 507 CB GLN A 29 1.043 3.730 -7.223 1.00 0.00 C ATOM 508 CG GLN A 29 2.194 3.830 -8.226 1.00 0.00 C ATOM 509 CD GLN A 29 2.142 5.169 -8.955 1.00 0.00 C ATOM 510 OE1 GLN A 29 1.062 5.683 -9.244 1.00 0.00 O ATOM 511 NE2 GLN A 29 3.254 5.775 -9.265 1.00 0.00 N ATOM 0 H GLN A 29 0.355 1.738 -8.498 1.00 0.00 H new ATOM 0 HA GLN A 29 2.030 2.083 -6.255 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.094 3.928 -7.722 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.158 4.485 -6.446 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.147 3.726 -7.708 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.131 3.013 -8.945 1.00 0.00 H new ATOM 0 HE21 GLN A 29 4.150 5.350 -9.026 1.00 0.00 H new ATOM 0 HE22 GLN A 29 3.228 6.674 -9.746 1.00 0.00 H new ATOM 520 N ARG A 30 -1.223 2.217 -5.699 1.00 0.00 N ATOM 521 CA ARG A 30 -2.228 2.180 -4.646 1.00 0.00 C ATOM 522 C ARG A 30 -2.032 0.946 -3.772 1.00 0.00 C ATOM 523 O ARG A 30 -2.109 1.033 -2.546 1.00 0.00 O ATOM 524 CB ARG A 30 -3.627 2.154 -5.262 1.00 0.00 C ATOM 525 CG ARG A 30 -3.920 3.519 -5.888 1.00 0.00 C ATOM 526 CD ARG A 30 -5.268 3.463 -6.606 1.00 0.00 C ATOM 527 NE ARG A 30 -6.354 3.202 -5.665 1.00 0.00 N ATOM 528 CZ ARG A 30 -7.592 2.917 -6.064 1.00 0.00 C ATOM 529 NH1 ARG A 30 -7.896 2.853 -7.333 1.00 0.00 N ATOM 530 NH2 ARG A 30 -8.519 2.691 -5.175 1.00 0.00 N ATOM 0 H ARG A 30 -1.597 2.164 -6.647 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.121 3.073 -4.030 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.691 1.371 -6.018 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.370 1.922 -4.499 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.936 4.290 -5.118 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.131 3.787 -6.591 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -5.448 4.406 -7.122 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -5.246 2.683 -7.367 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.157 3.239 -4.665 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -7.179 3.023 -8.038 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -8.850 2.633 -7.618 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -8.294 2.733 -4.181 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.469 2.472 -5.474 1.00 0.00 H new ATOM 544 N ARG A 31 -1.757 -0.186 -4.413 1.00 0.00 N ATOM 545 CA ARG A 31 -1.544 -1.431 -3.687 1.00 0.00 C ATOM 546 C ARG A 31 -0.331 -1.303 -2.773 1.00 0.00 C ATOM 547 O ARG A 31 -0.362 -1.750 -1.626 1.00 0.00 O ATOM 548 CB ARG A 31 -1.344 -2.586 -4.670 1.00 0.00 C ATOM 549 CG ARG A 31 -1.271 -3.903 -3.896 1.00 0.00 C ATOM 550 CD ARG A 31 -1.294 -5.073 -4.879 1.00 0.00 C ATOM 551 NE ARG A 31 -0.091 -5.096 -5.704 1.00 0.00 N ATOM 552 CZ ARG A 31 0.075 -5.972 -6.692 1.00 0.00 C ATOM 553 NH1 ARG A 31 -0.843 -6.855 -6.977 1.00 0.00 N ATOM 554 NH2 ARG A 31 1.176 -5.949 -7.393 1.00 0.00 N ATOM 0 H ARG A 31 -1.677 -0.266 -5.427 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.423 -1.638 -3.077 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.166 -2.616 -5.385 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.429 -2.437 -5.243 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.361 -3.935 -3.297 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.110 -3.978 -3.205 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.379 -6.011 -4.330 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.174 -4.997 -5.518 1.00 0.00 H new ATOM 0 HE ARG A 31 0.648 -4.418 -5.517 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.709 -6.883 -6.438 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.695 -7.517 -7.739 1.00 0.00 H new ATOM 0 HH21 ARG A 31 1.901 -5.263 -7.182 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.311 -6.617 -8.152 1.00 0.00 H new ATOM 568 N ARG A 32 0.728 -0.693 -3.295 1.00 0.00 N ATOM 569 CA ARG A 32 1.946 -0.523 -2.513 1.00 0.00 C ATOM 570 C ARG A 32 1.656 0.339 -1.288 1.00 0.00 C ATOM 571 O ARG A 32 2.103 0.025 -0.184 1.00 0.00 O ATOM 572 CB ARG A 32 3.023 0.152 -3.365 1.00 0.00 C ATOM 573 CG ARG A 32 4.385 0.042 -2.675 1.00 0.00 C ATOM 574 CD ARG A 32 5.273 1.223 -3.071 1.00 0.00 C ATOM 575 NE ARG A 32 4.744 2.446 -2.475 1.00 0.00 N ATOM 576 CZ ARG A 32 4.864 2.718 -1.176 1.00 0.00 C ATOM 577 NH1 ARG A 32 5.463 1.895 -0.359 1.00 0.00 N ATOM 578 NH2 ARG A 32 4.368 3.825 -0.694 1.00 0.00 N ATOM 0 H ARG A 32 0.768 -0.314 -4.241 1.00 0.00 H new ATOM 0 HA ARG A 32 2.301 -1.503 -2.193 1.00 0.00 H new ATOM 0 HB2 ARG A 32 3.066 -0.316 -4.348 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.770 1.200 -3.522 1.00 0.00 H new ATOM 0 HG2 ARG A 32 4.253 0.023 -1.593 1.00 0.00 H new ATOM 0 HG3 ARG A 32 4.868 -0.895 -2.953 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.295 1.053 -2.733 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.307 1.319 -4.156 1.00 0.00 H new ATOM 0 HE ARG A 32 4.265 3.117 -3.075 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.852 1.020 -0.711 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.542 2.127 0.631 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.889 4.481 -1.311 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.459 4.034 0.300 1.00 0.00 H new ATOM 592 N LYS A 33 0.897 1.412 -1.493 1.00 0.00 N ATOM 593 CA LYS A 33 0.540 2.310 -0.402 1.00 0.00 C ATOM 594 C LYS A 33 -0.288 1.562 0.637 1.00 0.00 C ATOM 595 O LYS A 33 -0.079 1.728 1.839 1.00 0.00 O ATOM 596 CB LYS A 33 -0.254 3.508 -0.929 1.00 0.00 C ATOM 597 CG LYS A 33 -0.509 4.501 0.208 1.00 0.00 C ATOM 598 CD LYS A 33 -1.248 5.725 -0.333 1.00 0.00 C ATOM 599 CE LYS A 33 -1.446 6.742 0.794 1.00 0.00 C ATOM 600 NZ LYS A 33 -2.300 6.152 1.863 1.00 0.00 N ATOM 0 H LYS A 33 0.519 1.679 -2.402 1.00 0.00 H new ATOM 0 HA LYS A 33 1.458 2.674 0.060 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.297 3.996 -1.733 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.202 3.171 -1.350 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.098 4.026 0.993 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.436 4.804 0.658 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.680 6.175 -1.148 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.213 5.428 -0.743 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.480 7.033 1.207 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.911 7.647 0.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.668 6.911 2.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.094 5.640 1.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.734 5.493 2.435 1.00 0.00 H new ATOM 614 N GLU A 34 -1.225 0.749 0.160 1.00 0.00 N ATOM 615 CA GLU A 34 -2.090 -0.014 1.051 1.00 0.00 C ATOM 616 C GLU A 34 -1.266 -0.972 1.903 1.00 0.00 C ATOM 617 O GLU A 34 -1.504 -1.094 3.105 1.00 0.00 O ATOM 618 CB GLU A 34 -3.109 -0.814 0.236 1.00 0.00 C ATOM 619 CG GLU A 34 -4.161 0.127 -0.353 1.00 0.00 C ATOM 620 CD GLU A 34 -5.108 -0.644 -1.268 1.00 0.00 C ATOM 621 OE1 GLU A 34 -6.300 -0.401 -1.185 1.00 0.00 O ATOM 622 OE2 GLU A 34 -4.629 -1.458 -2.042 1.00 0.00 O ATOM 0 H GLU A 34 -1.404 0.602 -0.833 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.612 0.686 1.703 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.603 -1.354 -0.564 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.590 -1.559 0.870 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.726 0.601 0.450 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.673 0.925 -0.913 1.00 0.00 H new ATOM 629 N GLU A 35 -0.288 -1.629 1.286 1.00 0.00 N ATOM 630 CA GLU A 35 0.580 -2.557 2.003 1.00 0.00 C ATOM 631 C GLU A 35 1.383 -1.829 3.075 1.00 0.00 C ATOM 632 O GLU A 35 1.529 -2.320 4.195 1.00 0.00 O ATOM 633 CB GLU A 35 1.525 -3.252 1.020 1.00 0.00 C ATOM 634 CG GLU A 35 2.295 -4.362 1.740 1.00 0.00 C ATOM 635 CD GLU A 35 3.154 -5.139 0.747 1.00 0.00 C ATOM 636 OE1 GLU A 35 3.837 -4.505 -0.041 1.00 0.00 O ATOM 637 OE2 GLU A 35 3.109 -6.357 0.788 1.00 0.00 O ATOM 0 H GLU A 35 -0.077 -1.536 0.292 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.044 -3.306 2.492 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.957 -3.670 0.189 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.222 -2.528 0.597 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.926 -3.931 2.518 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.596 -5.038 2.234 1.00 0.00 H new ATOM 644 N GLU A 36 1.888 -0.654 2.713 1.00 0.00 N ATOM 645 CA GLU A 36 2.678 0.144 3.644 1.00 0.00 C ATOM 646 C GLU A 36 1.823 0.556 4.839 1.00 0.00 C ATOM 647 O GLU A 36 2.272 0.486 5.983 1.00 0.00 O ATOM 648 CB GLU A 36 3.228 1.383 2.936 1.00 0.00 C ATOM 649 CG GLU A 36 4.233 2.103 3.839 1.00 0.00 C ATOM 650 CD GLU A 36 4.891 3.271 3.109 1.00 0.00 C ATOM 651 OE1 GLU A 36 5.449 4.116 3.788 1.00 0.00 O ATOM 652 OE2 GLU A 36 4.854 3.302 1.889 1.00 0.00 O ATOM 0 H GLU A 36 1.766 -0.236 1.791 1.00 0.00 H new ATOM 0 HA GLU A 36 3.514 -0.456 4.002 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.709 1.094 2.002 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.411 2.057 2.679 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.727 2.468 4.733 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.998 1.400 4.170 1.00 0.00 H new ATOM 659 N GLU A 37 0.592 0.970 4.556 1.00 0.00 N ATOM 660 CA GLU A 37 -0.325 1.391 5.609 1.00 0.00 C ATOM 661 C GLU A 37 -0.619 0.225 6.547 1.00 0.00 C ATOM 662 O GLU A 37 -0.649 0.395 7.766 1.00 0.00 O ATOM 663 CB GLU A 37 -1.632 1.898 4.994 1.00 0.00 C ATOM 664 CG GLU A 37 -2.451 2.617 6.070 1.00 0.00 C ATOM 665 CD GLU A 37 -1.799 3.944 6.450 1.00 0.00 C ATOM 666 OE1 GLU A 37 -1.089 4.509 5.633 1.00 0.00 O ATOM 667 OE2 GLU A 37 -2.019 4.378 7.569 1.00 0.00 O ATOM 0 H GLU A 37 0.208 1.023 3.612 1.00 0.00 H new ATOM 0 HA GLU A 37 0.141 2.196 6.177 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.420 2.577 4.168 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.202 1.064 4.583 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.463 2.795 5.705 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.537 1.983 6.952 1.00 0.00 H new ATOM 674 N ARG A 38 -0.830 -0.954 5.968 1.00 0.00 N ATOM 675 CA ARG A 38 -1.123 -2.137 6.769 1.00 0.00 C ATOM 676 C ARG A 38 0.059 -2.444 7.681 1.00 0.00 C ATOM 677 O ARG A 38 -0.126 -2.763 8.855 1.00 0.00 O ATOM 678 CB ARG A 38 -1.403 -3.324 5.849 1.00 0.00 C ATOM 679 CG ARG A 38 -2.755 -3.119 5.164 1.00 0.00 C ATOM 680 CD ARG A 38 -2.973 -4.245 4.153 1.00 0.00 C ATOM 681 NE ARG A 38 -4.250 -4.093 3.464 1.00 0.00 N ATOM 682 CZ ARG A 38 -4.590 -4.844 2.419 1.00 0.00 C ATOM 683 NH1 ARG A 38 -3.787 -5.765 1.956 1.00 0.00 N ATOM 684 NH2 ARG A 38 -5.746 -4.658 1.841 1.00 0.00 N ATOM 0 H ARG A 38 -0.804 -1.114 4.961 1.00 0.00 H new ATOM 0 HA ARG A 38 -2.004 -1.951 7.383 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.614 -3.416 5.103 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.409 -4.251 6.422 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.556 -3.116 5.904 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.781 -2.152 4.662 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.162 -4.246 3.425 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.944 -5.207 4.664 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.906 -3.386 3.795 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.880 -5.919 2.397 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -4.067 -6.330 1.154 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.382 -3.941 2.191 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.013 -5.230 1.040 1.00 0.00 H new ATOM 698 N ARG A 39 1.266 -2.353 7.127 1.00 0.00 N ATOM 699 CA ARG A 39 2.463 -2.634 7.910 1.00 0.00 C ATOM 700 C ARG A 39 2.562 -1.655 9.076 1.00 0.00 C ATOM 701 O ARG A 39 2.906 -2.049 10.191 1.00 0.00 O ATOM 702 CB ARG A 39 3.705 -2.505 7.025 1.00 0.00 C ATOM 703 CG ARG A 39 4.952 -2.871 7.832 1.00 0.00 C ATOM 704 CD ARG A 39 6.189 -2.682 6.952 1.00 0.00 C ATOM 705 NE ARG A 39 7.408 -2.972 7.700 1.00 0.00 N ATOM 706 CZ ARG A 39 8.618 -2.678 7.231 1.00 0.00 C ATOM 707 NH1 ARG A 39 8.772 -2.114 6.062 1.00 0.00 N ATOM 708 NH2 ARG A 39 9.672 -2.956 7.948 1.00 0.00 N ATOM 0 H ARG A 39 1.438 -2.092 6.156 1.00 0.00 H new ATOM 0 HA ARG A 39 2.402 -3.651 8.299 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.616 -3.160 6.158 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.790 -1.486 6.647 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.023 -2.244 8.720 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.889 -3.904 8.175 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.126 -3.337 6.083 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.222 -1.659 6.578 1.00 0.00 H new ATOM 0 HE ARG A 39 7.330 -3.416 8.615 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.956 -1.891 5.492 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.708 -1.896 5.720 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.565 -3.396 8.862 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.603 -2.733 7.594 1.00 0.00 H new ATOM 722 N MET A 40 2.268 -0.387 8.808 1.00 0.00 N ATOM 723 CA MET A 40 2.342 0.639 9.842 1.00 0.00 C ATOM 724 C MET A 40 1.362 0.316 10.963 1.00 0.00 C ATOM 725 O MET A 40 1.698 0.440 12.141 1.00 0.00 O ATOM 726 CB MET A 40 2.003 2.006 9.242 1.00 0.00 C ATOM 727 CG MET A 40 3.180 2.510 8.405 1.00 0.00 C ATOM 728 SD MET A 40 4.574 2.894 9.495 1.00 0.00 S ATOM 729 CE MET A 40 5.116 4.411 8.669 1.00 0.00 C ATOM 0 H MET A 40 1.978 -0.047 7.891 1.00 0.00 H new ATOM 0 HA MET A 40 3.354 0.664 10.246 1.00 0.00 H new ATOM 0 HB2 MET A 40 1.110 1.930 8.622 1.00 0.00 H new ATOM 0 HB3 MET A 40 1.779 2.717 10.037 1.00 0.00 H new ATOM 0 HG2 MET A 40 3.472 1.754 7.676 1.00 0.00 H new ATOM 0 HG3 MET A 40 2.888 3.398 7.844 1.00 0.00 H new ATOM 0 HE1 MET A 40 5.982 4.820 9.190 1.00 0.00 H new ATOM 0 HE2 MET A 40 5.386 4.187 7.637 1.00 0.00 H new ATOM 0 HE3 MET A 40 4.307 5.141 8.682 1.00 0.00 H new ATOM 739 N LYS A 41 0.163 -0.124 10.592 1.00 0.00 N ATOM 740 CA LYS A 41 -0.849 -0.485 11.578 1.00 0.00 C ATOM 741 C LYS A 41 -0.359 -1.650 12.433 1.00 0.00 C ATOM 742 O LYS A 41 -0.538 -1.651 13.652 1.00 0.00 O ATOM 743 CB LYS A 41 -2.151 -0.871 10.870 1.00 0.00 C ATOM 744 CG LYS A 41 -3.251 -1.118 11.905 1.00 0.00 C ATOM 745 CD LYS A 41 -4.558 -1.482 11.198 1.00 0.00 C ATOM 746 CE LYS A 41 -5.656 -1.697 12.241 1.00 0.00 C ATOM 747 NZ LYS A 41 -5.308 -2.865 13.099 1.00 0.00 N ATOM 0 H LYS A 41 -0.130 -0.238 9.622 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.033 0.373 12.224 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -2.453 -0.077 10.187 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.997 -1.767 10.269 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.955 -1.923 12.578 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.394 -0.227 12.517 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -4.846 -0.687 10.509 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -4.424 -2.386 10.604 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.769 -0.803 12.854 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.613 -1.868 11.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.164 -3.211 13.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.911 -3.624 12.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.606 -2.577 13.810 1.00 0.00 H new ATOM 761 N LEU A 42 0.261 -2.628 11.779 1.00 0.00 N ATOM 762 CA LEU A 42 0.774 -3.795 12.487 1.00 0.00 C ATOM 763 C LEU A 42 1.847 -3.376 13.485 1.00 0.00 C ATOM 764 O LEU A 42 1.863 -3.846 14.624 1.00 0.00 O ATOM 765 CB LEU A 42 1.353 -4.800 11.489 1.00 0.00 C ATOM 766 CG LEU A 42 0.218 -5.442 10.687 1.00 0.00 C ATOM 767 CD1 LEU A 42 0.798 -6.160 9.467 1.00 0.00 C ATOM 768 CD2 LEU A 42 -0.520 -6.459 11.562 1.00 0.00 C ATOM 0 H LEU A 42 0.419 -2.636 10.771 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.046 -4.265 13.029 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.049 -4.299 10.816 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.918 -5.568 12.018 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.476 -4.666 10.363 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.010 -6.617 8.896 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.325 -5.442 8.839 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.492 -6.933 9.796 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.327 -6.914 10.988 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.176 -7.233 11.886 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.935 -5.955 12.435 1.00 0.00 H new ATOM 780 N GLU A 43 2.725 -2.478 13.050 1.00 0.00 N ATOM 781 CA GLU A 43 3.795 -1.981 13.907 1.00 0.00 C ATOM 782 C GLU A 43 3.203 -1.249 15.108 1.00 0.00 C ATOM 783 O GLU A 43 3.683 -1.400 16.232 1.00 0.00 O ATOM 784 CB GLU A 43 4.703 -1.040 13.112 1.00 0.00 C ATOM 785 CG GLU A 43 5.926 -0.661 13.952 1.00 0.00 C ATOM 786 CD GLU A 43 6.910 0.181 13.146 1.00 0.00 C ATOM 787 OE1 GLU A 43 6.891 0.107 11.928 1.00 0.00 O ATOM 788 OE2 GLU A 43 7.672 0.906 13.764 1.00 0.00 O ATOM 0 H GLU A 43 2.717 -2.080 12.111 1.00 0.00 H new ATOM 0 HA GLU A 43 4.386 -2.824 14.265 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.021 -1.523 12.188 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.153 -0.142 12.830 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.607 -0.106 14.834 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.422 -1.565 14.306 1.00 0.00 H new ATOM 795 N MET A 44 2.169 -0.453 14.852 1.00 0.00 N ATOM 796 CA MET A 44 1.524 0.313 15.912 1.00 0.00 C ATOM 797 C MET A 44 0.930 -0.630 16.953 1.00 0.00 C ATOM 798 O MET A 44 1.062 -0.388 18.154 1.00 0.00 O ATOM 799 CB MET A 44 0.418 1.200 15.336 1.00 0.00 C ATOM 800 CG MET A 44 1.045 2.379 14.590 1.00 0.00 C ATOM 801 SD MET A 44 -0.264 3.400 13.868 1.00 0.00 S ATOM 802 CE MET A 44 0.811 4.469 12.878 1.00 0.00 C ATOM 0 H MET A 44 1.762 -0.322 13.926 1.00 0.00 H new ATOM 0 HA MET A 44 2.276 0.946 16.384 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.211 0.621 14.660 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.225 1.564 16.137 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.651 2.975 15.273 1.00 0.00 H new ATOM 0 HG3 MET A 44 1.711 2.015 13.807 1.00 0.00 H new ATOM 0 HE1 MET A 44 0.204 5.193 12.335 1.00 0.00 H new ATOM 0 HE2 MET A 44 1.504 4.996 13.534 1.00 0.00 H new ATOM 0 HE3 MET A 44 1.373 3.862 12.168 1.00 0.00 H new ATOM 812 N GLU A 45 0.295 -1.707 16.498 1.00 0.00 N ATOM 813 CA GLU A 45 -0.304 -2.695 17.386 1.00 0.00 C ATOM 814 C GLU A 45 0.777 -3.349 18.240 1.00 0.00 C ATOM 815 O GLU A 45 0.583 -3.564 19.437 1.00 0.00 O ATOM 816 CB GLU A 45 -1.039 -3.760 16.567 1.00 0.00 C ATOM 817 CG GLU A 45 -1.816 -4.685 17.507 1.00 0.00 C ATOM 818 CD GLU A 45 -2.572 -5.735 16.703 1.00 0.00 C ATOM 819 OE1 GLU A 45 -3.752 -5.910 16.961 1.00 0.00 O ATOM 820 OE2 GLU A 45 -1.961 -6.349 15.845 1.00 0.00 O ATOM 0 H GLU A 45 0.182 -1.918 15.506 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.020 -2.196 18.039 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.721 -3.285 15.862 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.326 -4.338 15.979 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.130 -5.171 18.200 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.515 -4.102 18.107 1.00 0.00 H new ATOM 827 N ALA A 46 1.910 -3.663 17.617 1.00 0.00 N ATOM 828 CA ALA A 46 3.016 -4.302 18.321 1.00 0.00 C ATOM 829 C ALA A 46 3.519 -3.383 19.428 1.00 0.00 C ATOM 830 O ALA A 46 3.800 -3.843 20.536 1.00 0.00 O ATOM 831 CB ALA A 46 4.155 -4.616 17.347 1.00 0.00 C ATOM 0 H ALA A 46 2.085 -3.485 16.628 1.00 0.00 H new ATOM 0 HA ALA A 46 2.664 -5.236 18.759 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.974 -5.093 17.886 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.793 -5.288 16.569 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.510 -3.691 16.892 1.00 0.00 H new ATOM 837 N LYS A 47 3.629 -2.096 19.116 1.00 0.00 N ATOM 838 CA LYS A 47 4.110 -1.129 20.096 1.00 0.00 C ATOM 839 C LYS A 47 3.169 -1.107 21.293 1.00 0.00 C ATOM 840 O LYS A 47 3.626 -1.094 22.436 1.00 0.00 O ATOM 841 CB LYS A 47 4.189 0.268 19.477 1.00 0.00 C ATOM 842 CG LYS A 47 5.436 0.366 18.596 1.00 0.00 C ATOM 843 CD LYS A 47 5.492 1.746 17.937 1.00 0.00 C ATOM 844 CE LYS A 47 6.888 1.982 17.362 1.00 0.00 C ATOM 845 NZ LYS A 47 7.190 0.979 16.302 1.00 0.00 N ATOM 0 H LYS A 47 3.395 -1.702 18.205 1.00 0.00 H new ATOM 0 HA LYS A 47 5.108 -1.424 20.420 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.296 0.466 18.885 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.225 1.024 20.262 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.331 0.202 19.196 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.416 -0.412 17.833 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.745 1.813 17.146 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.253 2.519 18.667 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.952 2.988 16.948 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.631 1.916 18.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.152 0.609 16.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.507 0.197 16.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.122 1.430 15.367 1.00 0.00 H new ATOM 859 N ARG A 48 1.864 -1.138 21.036 1.00 0.00 N ATOM 860 CA ARG A 48 0.876 -1.139 22.107 1.00 0.00 C ATOM 861 C ARG A 48 1.035 -2.388 22.967 1.00 0.00 C ATOM 862 O ARG A 48 0.952 -2.321 24.194 1.00 0.00 O ATOM 863 CB ARG A 48 -0.532 -1.076 21.511 1.00 0.00 C ATOM 864 CG ARG A 48 -0.749 0.262 20.799 1.00 0.00 C ATOM 865 CD ARG A 48 -0.753 1.394 21.829 1.00 0.00 C ATOM 866 NE ARG A 48 -1.069 2.679 21.216 1.00 0.00 N ATOM 867 CZ ARG A 48 -0.617 3.833 21.704 1.00 0.00 C ATOM 868 NH1 ARG A 48 0.148 3.881 22.762 1.00 0.00 N ATOM 869 NH2 ARG A 48 -0.943 4.946 21.106 1.00 0.00 N ATOM 0 H ARG A 48 1.468 -1.163 20.096 1.00 0.00 H new ATOM 0 HA ARG A 48 1.031 -0.264 22.738 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -0.674 -1.897 20.808 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.274 -1.200 22.300 1.00 0.00 H new ATOM 0 HG2 ARG A 48 0.039 0.427 20.065 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -1.694 0.248 20.255 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -1.482 1.174 22.609 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.223 1.451 22.311 1.00 0.00 H new ATOM 0 HE ARG A 48 -1.658 2.695 20.383 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.415 3.019 23.238 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.478 4.780 23.112 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -1.536 4.924 20.277 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.605 5.838 21.468 1.00 0.00 H new ATOM 883 N LYS A 49 1.259 -3.519 22.307 1.00 0.00 N ATOM 884 CA LYS A 49 1.417 -4.781 23.022 1.00 0.00 C ATOM 885 C LYS A 49 2.631 -4.702 23.942 1.00 0.00 C ATOM 886 O LYS A 49 2.562 -5.127 25.096 1.00 0.00 O ATOM 887 CB LYS A 49 1.592 -5.926 22.021 1.00 0.00 C ATOM 888 CG LYS A 49 1.588 -7.261 22.768 1.00 0.00 C ATOM 889 CD LYS A 49 1.685 -8.412 21.767 1.00 0.00 C ATOM 890 CE LYS A 49 1.570 -9.744 22.511 1.00 0.00 C ATOM 891 NZ LYS A 49 2.686 -9.877 23.490 1.00 0.00 N ATOM 0 H LYS A 49 1.335 -3.589 21.292 1.00 0.00 H new ATOM 0 HA LYS A 49 0.527 -4.968 23.622 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.788 -5.906 21.285 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.527 -5.806 21.474 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.425 -7.301 23.465 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.677 -7.356 23.358 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.893 -8.329 21.023 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.633 -8.363 21.231 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.612 -9.800 23.028 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.597 -10.571 21.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.756 -10.866 23.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.579 -9.593 23.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.503 -9.265 24.311 1.00 0.00 H new ATOM 905 N GLN A 50 3.725 -4.140 23.433 1.00 0.00 N ATOM 906 CA GLN A 50 4.941 -3.996 24.226 1.00 0.00 C ATOM 907 C GLN A 50 4.685 -3.083 25.420 1.00 0.00 C ATOM 908 O GLN A 50 5.122 -3.373 26.534 1.00 0.00 O ATOM 909 CB GLN A 50 6.059 -3.409 23.362 1.00 0.00 C ATOM 910 CG GLN A 50 6.464 -4.431 22.297 1.00 0.00 C ATOM 911 CD GLN A 50 7.515 -3.829 21.370 1.00 0.00 C ATOM 912 OE1 GLN A 50 7.260 -2.820 20.714 1.00 0.00 O ATOM 913 NE2 GLN A 50 8.689 -4.391 21.275 1.00 0.00 N ATOM 0 H GLN A 50 3.794 -3.779 22.481 1.00 0.00 H new ATOM 0 HA GLN A 50 5.242 -4.979 24.588 1.00 0.00 H new ATOM 0 HB2 GLN A 50 5.722 -2.487 22.888 1.00 0.00 H new ATOM 0 HB3 GLN A 50 6.918 -3.153 23.983 1.00 0.00 H new ATOM 0 HG2 GLN A 50 6.859 -5.328 22.774 1.00 0.00 H new ATOM 0 HG3 GLN A 50 5.590 -4.734 21.721 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.900 -5.228 21.819 1.00 0.00 H new ATOM 0 HE22 GLN A 50 9.396 -3.994 20.656 1.00 0.00 H new ATOM 922 N GLU A 51 3.972 -1.990 25.170 1.00 0.00 N ATOM 923 CA GLU A 51 3.651 -1.029 26.217 1.00 0.00 C ATOM 924 C GLU A 51 2.807 -1.694 27.297 1.00 0.00 C ATOM 925 O GLU A 51 3.023 -1.465 28.487 1.00 0.00 O ATOM 926 CB GLU A 51 2.876 0.159 25.643 1.00 0.00 C ATOM 927 CG GLU A 51 3.786 1.011 24.754 1.00 0.00 C ATOM 928 CD GLU A 51 2.999 2.106 24.041 1.00 0.00 C ATOM 929 OE1 GLU A 51 1.804 2.233 24.266 1.00 0.00 O ATOM 930 OE2 GLU A 51 3.609 2.813 23.256 1.00 0.00 O ATOM 0 H GLU A 51 3.605 -1.748 24.250 1.00 0.00 H new ATOM 0 HA GLU A 51 4.588 -0.673 26.646 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.024 -0.199 25.065 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.477 0.767 26.455 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.572 1.461 25.360 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.277 0.375 24.017 1.00 0.00 H new ATOM 937 N GLU A 52 1.849 -2.515 26.877 1.00 0.00 N ATOM 938 CA GLU A 52 0.963 -3.211 27.801 1.00 0.00 C ATOM 939 C GLU A 52 1.769 -4.137 28.706 1.00 0.00 C ATOM 940 O GLU A 52 1.500 -4.212 29.905 1.00 0.00 O ATOM 941 CB GLU A 52 -0.067 -4.033 27.025 1.00 0.00 C ATOM 942 CG GLU A 52 -1.173 -4.483 27.983 1.00 0.00 C ATOM 943 CD GLU A 52 -2.018 -3.296 28.440 1.00 0.00 C ATOM 944 OE1 GLU A 52 -2.855 -3.501 29.304 1.00 0.00 O ATOM 945 OE2 GLU A 52 -1.820 -2.198 27.944 1.00 0.00 O ATOM 0 H GLU A 52 1.667 -2.715 25.894 1.00 0.00 H new ATOM 0 HA GLU A 52 0.448 -2.469 28.411 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.490 -3.438 26.215 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.411 -4.900 26.568 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.809 -5.218 27.490 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.731 -4.974 28.850 1.00 0.00 H new ATOM 952 N GLU A 53 2.751 -4.833 28.139 1.00 0.00 N ATOM 953 CA GLU A 53 3.593 -5.752 28.896 1.00 0.00 C ATOM 954 C GLU A 53 4.368 -4.996 29.969 1.00 0.00 C ATOM 955 O GLU A 53 4.466 -5.457 31.107 1.00 0.00 O ATOM 956 CB GLU A 53 4.575 -6.453 27.955 1.00 0.00 C ATOM 957 CG GLU A 53 3.807 -7.411 27.041 1.00 0.00 C ATOM 958 CD GLU A 53 3.243 -8.591 27.828 1.00 0.00 C ATOM 959 OE1 GLU A 53 2.305 -9.197 27.338 1.00 0.00 O ATOM 960 OE2 GLU A 53 3.749 -8.882 28.899 1.00 0.00 O ATOM 0 H GLU A 53 2.984 -4.776 27.148 1.00 0.00 H new ATOM 0 HA GLU A 53 2.956 -6.495 29.375 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.113 -5.716 27.358 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.320 -7.002 28.532 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.994 -6.876 26.550 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.468 -7.777 26.255 1.00 0.00 H new ATOM 967 N GLU A 54 4.903 -3.835 29.606 1.00 0.00 N ATOM 968 CA GLU A 54 5.662 -3.013 30.541 1.00 0.00 C ATOM 969 C GLU A 54 4.776 -2.565 31.697 1.00 0.00 C ATOM 970 O GLU A 54 5.208 -2.555 32.851 1.00 0.00 O ATOM 971 CB GLU A 54 6.229 -1.783 29.831 1.00 0.00 C ATOM 972 CG GLU A 54 7.317 -2.216 28.846 1.00 0.00 C ATOM 973 CD GLU A 54 7.869 -1.004 28.102 1.00 0.00 C ATOM 974 OE1 GLU A 54 9.075 -0.947 27.927 1.00 0.00 O ATOM 975 OE2 GLU A 54 7.083 -0.151 27.722 1.00 0.00 O ATOM 0 H GLU A 54 4.825 -3.441 28.668 1.00 0.00 H new ATOM 0 HA GLU A 54 6.484 -3.614 30.931 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.434 -1.257 29.302 1.00 0.00 H new ATOM 0 HB3 GLU A 54 6.641 -1.087 30.561 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.122 -2.721 29.381 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.908 -2.933 28.134 1.00 0.00 H new ATOM 982 N ARG A 55 3.545 -2.182 31.371 1.00 0.00 N ATOM 983 CA ARG A 55 2.614 -1.711 32.390 1.00 0.00 C ATOM 984 C ARG A 55 2.342 -2.820 33.398 1.00 0.00 C ATOM 985 O ARG A 55 2.339 -2.565 34.603 1.00 0.00 O ATOM 986 CB ARG A 55 1.293 -1.273 31.756 1.00 0.00 C ATOM 987 CG ARG A 55 1.519 0.007 30.950 1.00 0.00 C ATOM 988 CD ARG A 55 0.173 0.535 30.449 1.00 0.00 C ATOM 989 NE ARG A 55 0.394 1.609 29.487 1.00 0.00 N ATOM 990 CZ ARG A 55 0.560 1.386 28.185 1.00 0.00 C ATOM 991 NH1 ARG A 55 0.540 0.176 27.695 1.00 0.00 N ATOM 992 NH2 ARG A 55 0.757 2.390 27.374 1.00 0.00 N ATOM 0 H ARG A 55 3.173 -2.188 30.421 1.00 0.00 H new ATOM 0 HA ARG A 55 3.065 -0.857 32.894 1.00 0.00 H new ATOM 0 HB2 ARG A 55 0.908 -2.061 31.109 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.544 -1.102 32.529 1.00 0.00 H new ATOM 0 HG2 ARG A 55 2.009 0.758 31.569 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.181 -0.193 30.107 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -0.395 -0.271 29.985 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -0.420 0.901 31.287 1.00 0.00 H new ATOM 0 HE ARG A 55 0.423 2.571 29.826 1.00 0.00 H new ATOM 0 HH11 ARG A 55 0.395 -0.622 28.313 1.00 0.00 H new ATOM 0 HH12 ARG A 55 0.669 0.029 26.694 1.00 0.00 H new ATOM 0 HH21 ARG A 55 0.783 3.342 27.738 1.00 0.00 H new ATOM 0 HH22 ARG A 55 0.885 2.222 26.376 1.00 0.00 H new ATOM 1006 N LYS A 56 2.149 -4.051 32.928 1.00 0.00 N ATOM 1007 CA LYS A 56 1.899 -5.195 33.795 1.00 0.00 C ATOM 1008 C LYS A 56 3.097 -5.430 34.709 1.00 0.00 C ATOM 1009 O LYS A 56 2.931 -5.693 35.901 1.00 0.00 O ATOM 1010 CB LYS A 56 1.640 -6.442 32.946 1.00 0.00 C ATOM 1011 CG LYS A 56 1.257 -7.613 33.854 1.00 0.00 C ATOM 1012 CD LYS A 56 0.881 -8.826 33.002 1.00 0.00 C ATOM 1013 CE LYS A 56 0.471 -9.979 33.920 1.00 0.00 C ATOM 1014 NZ LYS A 56 1.661 -10.465 34.674 1.00 0.00 N ATOM 0 H LYS A 56 2.162 -4.281 31.934 1.00 0.00 H new ATOM 0 HA LYS A 56 1.021 -4.990 34.408 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.841 -6.247 32.231 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.530 -6.692 32.369 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.089 -7.863 34.512 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.420 -7.332 34.492 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.062 -8.573 32.329 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.725 -9.124 32.379 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.301 -9.648 34.614 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.044 -10.791 33.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.468 -11.414 35.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.482 -10.508 34.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.865 -9.813 35.458 1.00 0.00 H new ATOM 1028 N LYS A 57 4.294 -5.319 34.141 1.00 0.00 N ATOM 1029 CA LYS A 57 5.515 -5.510 34.914 1.00 0.00 C ATOM 1030 C LYS A 57 5.619 -4.455 36.010 1.00 0.00 C ATOM 1031 O LYS A 57 5.966 -4.769 37.148 1.00 0.00 O ATOM 1032 CB LYS A 57 6.739 -5.428 33.998 1.00 0.00 C ATOM 1033 CG LYS A 57 8.006 -5.721 34.804 1.00 0.00 C ATOM 1034 CD LYS A 57 9.229 -5.669 33.886 1.00 0.00 C ATOM 1035 CE LYS A 57 10.496 -5.901 34.712 1.00 0.00 C ATOM 1036 NZ LYS A 57 10.441 -7.246 35.352 1.00 0.00 N ATOM 0 H LYS A 57 4.444 -5.100 33.156 1.00 0.00 H new ATOM 0 HA LYS A 57 5.481 -6.497 35.375 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.643 -6.143 33.181 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.803 -4.437 33.548 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.113 -4.993 35.608 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.932 -6.703 35.271 1.00 0.00 H new ATOM 0 HD2 LYS A 57 9.145 -6.427 33.108 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.280 -4.702 33.385 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.376 -5.828 34.073 1.00 0.00 H new ATOM 0 HE3 LYS A 57 10.590 -5.128 35.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 11.394 -7.521 35.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.803 -7.214 36.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.088 -7.943 34.666 1.00 0.00 H new ATOM 1050 N ARG A 58 5.310 -3.213 35.652 1.00 0.00 N ATOM 1051 CA ARG A 58 5.369 -2.112 36.606 1.00 0.00 C ATOM 1052 C ARG A 58 4.374 -2.341 37.740 1.00 0.00 C ATOM 1053 O ARG A 58 4.690 -2.103 38.905 1.00 0.00 O ATOM 1054 CB ARG A 58 5.066 -0.783 35.912 1.00 0.00 C ATOM 1055 CG ARG A 58 5.241 0.361 36.913 1.00 0.00 C ATOM 1056 CD ARG A 58 5.025 1.694 36.197 1.00 0.00 C ATOM 1057 NE ARG A 58 6.085 1.936 35.223 1.00 0.00 N ATOM 1058 CZ ARG A 58 6.086 3.000 34.424 1.00 0.00 C ATOM 1059 NH1 ARG A 58 5.126 3.884 34.474 1.00 0.00 N ATOM 1060 NH2 ARG A 58 7.062 3.168 33.574 1.00 0.00 N ATOM 0 H ARG A 58 5.017 -2.945 34.712 1.00 0.00 H new ATOM 0 HA ARG A 58 6.377 -2.071 37.019 1.00 0.00 H new ATOM 0 HB2 ARG A 58 5.734 -0.643 35.062 1.00 0.00 H new ATOM 0 HB3 ARG A 58 4.048 -0.787 35.521 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.530 0.255 37.732 1.00 0.00 H new ATOM 0 HG3 ARG A 58 6.239 0.327 37.351 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.057 1.690 35.695 1.00 0.00 H new ATOM 0 HD3 ARG A 58 5.003 2.504 36.926 1.00 0.00 H new ATOM 0 HE ARG A 58 6.851 1.266 35.152 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.357 3.765 35.134 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.145 4.693 33.853 1.00 0.00 H new ATOM 0 HH21 ARG A 58 7.819 2.486 33.525 1.00 0.00 H new ATOM 0 HH22 ARG A 58 7.068 3.982 32.959 1.00 0.00 H new ATOM 1074 N GLU A 59 3.178 -2.798 37.381 1.00 0.00 N ATOM 1075 CA GLU A 59 2.135 -3.048 38.369 1.00 0.00 C ATOM 1076 C GLU A 59 2.560 -4.131 39.355 1.00 0.00 C ATOM 1077 O GLU A 59 2.315 -4.005 40.555 1.00 0.00 O ATOM 1078 CB GLU A 59 0.849 -3.493 37.673 1.00 0.00 C ATOM 1079 CG GLU A 59 0.241 -2.323 36.895 1.00 0.00 C ATOM 1080 CD GLU A 59 -0.943 -2.779 36.046 1.00 0.00 C ATOM 1081 OE1 GLU A 59 -1.340 -3.929 36.146 1.00 0.00 O ATOM 1082 OE2 GLU A 59 -1.436 -1.962 35.284 1.00 0.00 O ATOM 0 H GLU A 59 2.908 -3.002 36.419 1.00 0.00 H new ATOM 0 HA GLU A 59 1.964 -2.119 38.913 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.060 -4.320 36.995 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.135 -3.860 38.411 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.084 -1.550 37.591 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.001 -1.876 36.254 1.00 0.00 H new ATOM 1089 N ASP A 60 3.188 -5.188 38.847 1.00 0.00 N ATOM 1090 CA ASP A 60 3.641 -6.295 39.683 1.00 0.00 C ATOM 1091 C ASP A 60 4.679 -5.825 40.696 1.00 0.00 C ATOM 1092 O ASP A 60 4.638 -6.223 41.862 1.00 0.00 O ATOM 1093 CB ASP A 60 4.255 -7.394 38.814 1.00 0.00 C ATOM 1094 CG ASP A 60 4.514 -8.636 39.660 1.00 0.00 C ATOM 1095 OD1 ASP A 60 3.552 -9.211 40.144 1.00 0.00 O ATOM 1096 OD2 ASP A 60 5.669 -8.995 39.813 1.00 0.00 O ATOM 0 H ASP A 60 3.395 -5.301 37.855 1.00 0.00 H new ATOM 0 HA ASP A 60 2.775 -6.686 40.218 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.584 -7.637 37.990 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.187 -7.043 38.372 1.00 0.00 H new ATOM 1101 N ASP A 61 5.599 -4.978 40.247 1.00 0.00 N ATOM 1102 CA ASP A 61 6.656 -4.448 41.100 1.00 0.00 C ATOM 1103 C ASP A 61 6.073 -3.633 42.250 1.00 0.00 C ATOM 1104 O ASP A 61 6.550 -3.738 43.381 1.00 0.00 O ATOM 1105 CB ASP A 61 7.609 -3.563 40.291 1.00 0.00 C ATOM 1106 CG ASP A 61 8.672 -4.423 39.614 1.00 0.00 C ATOM 1107 OD1 ASP A 61 8.915 -4.213 38.437 1.00 0.00 O ATOM 1108 OD2 ASP A 61 9.234 -5.274 40.284 1.00 0.00 O ATOM 0 H ASP A 61 5.633 -4.641 39.285 1.00 0.00 H new ATOM 0 HA ASP A 61 7.206 -5.297 41.507 1.00 0.00 H new ATOM 0 HB2 ASP A 61 7.050 -3.004 39.541 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.084 -2.832 40.946 1.00 0.00 H new ATOM 1113 N GLU A 62 5.041 -2.838 41.977 1.00 0.00 N ATOM 1114 CA GLU A 62 4.372 -2.014 42.974 1.00 0.00 C ATOM 1115 C GLU A 62 3.682 -2.855 44.043 1.00 0.00 C ATOM 1116 O GLU A 62 3.664 -2.496 45.219 1.00 0.00 O ATOM 1117 CB GLU A 62 3.342 -1.111 42.292 1.00 0.00 C ATOM 1118 CG GLU A 62 4.062 -0.100 41.396 1.00 0.00 C ATOM 1119 CD GLU A 62 3.048 0.757 40.646 1.00 0.00 C ATOM 1120 OE1 GLU A 62 3.234 1.963 40.612 1.00 0.00 O ATOM 1121 OE2 GLU A 62 2.109 0.195 40.107 1.00 0.00 O ATOM 0 H GLU A 62 4.642 -2.749 41.042 1.00 0.00 H new ATOM 0 HA GLU A 62 5.135 -1.410 43.466 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.652 -1.712 41.699 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.747 -0.589 43.042 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.710 0.535 42.000 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.702 -0.624 40.686 1.00 0.00 H new ATOM 1128 N LYS A 63 3.040 -3.936 43.614 1.00 0.00 N ATOM 1129 CA LYS A 63 2.289 -4.788 44.528 1.00 0.00 C ATOM 1130 C LYS A 63 3.202 -5.392 45.586 1.00 0.00 C ATOM 1131 O LYS A 63 2.836 -5.462 46.760 1.00 0.00 O ATOM 1132 CB LYS A 63 1.603 -5.913 43.751 1.00 0.00 C ATOM 1133 CG LYS A 63 0.482 -5.337 42.883 1.00 0.00 C ATOM 1134 CD LYS A 63 -0.197 -6.468 42.107 1.00 0.00 C ATOM 1135 CE LYS A 63 -1.320 -5.893 41.242 1.00 0.00 C ATOM 1136 NZ LYS A 63 -1.977 -6.994 40.483 1.00 0.00 N ATOM 0 H LYS A 63 3.025 -4.242 42.641 1.00 0.00 H new ATOM 0 HA LYS A 63 1.539 -4.171 45.023 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.330 -6.431 43.125 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.197 -6.650 44.444 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.247 -4.822 43.508 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.887 -4.599 42.191 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.532 -6.982 41.480 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.599 -7.207 42.799 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.051 -5.383 41.869 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.918 -5.151 40.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.740 -6.603 39.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.276 -7.462 39.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.374 -7.687 41.150 1.00 0.00 H new ATOM 1150 N ARG A 64 4.384 -5.818 45.158 1.00 0.00 N ATOM 1151 CA ARG A 64 5.329 -6.401 46.105 1.00 0.00 C ATOM 1152 C ARG A 64 6.031 -5.323 46.928 1.00 0.00 C ATOM 1153 O ARG A 64 6.936 -5.634 47.702 1.00 0.00 O ATOM 1154 CB ARG A 64 6.375 -7.202 45.328 1.00 0.00 C ATOM 1155 CG ARG A 64 5.685 -8.376 44.629 1.00 0.00 C ATOM 1156 CD ARG A 64 6.699 -9.073 43.722 1.00 0.00 C ATOM 1157 NE ARG A 64 6.071 -10.158 42.973 1.00 0.00 N ATOM 1158 CZ ARG A 64 6.683 -10.770 41.962 1.00 0.00 C ATOM 1159 NH1 ARG A 64 7.886 -10.425 41.588 1.00 0.00 N ATOM 1160 NH2 ARG A 64 6.069 -11.727 41.323 1.00 0.00 N ATOM 0 H ARG A 64 4.706 -5.774 44.191 1.00 0.00 H new ATOM 0 HA ARG A 64 4.779 -7.046 46.790 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.869 -6.565 44.595 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.148 -7.568 46.004 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.293 -9.077 45.366 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.836 -8.021 44.044 1.00 0.00 H new ATOM 0 HD2 ARG A 64 7.130 -8.350 43.029 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.519 -9.467 44.322 1.00 0.00 H new ATOM 0 HE ARG A 64 5.131 -10.457 43.234 1.00 0.00 H new ATOM 0 HH11 ARG A 64 8.375 -9.673 42.074 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.336 -10.908 40.810 1.00 0.00 H new ATOM 0 HH21 ARG A 64 5.126 -12.002 41.599 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.532 -12.201 40.547 1.00 0.00 H new ATOM 1174 N ILE A 65 5.606 -4.070 46.773 1.00 0.00 N ATOM 1175 CA ILE A 65 6.189 -2.964 47.523 1.00 0.00 C ATOM 1176 C ILE A 65 5.094 -2.026 48.024 1.00 0.00 C ATOM 1177 O ILE A 65 5.400 -0.971 48.580 1.00 0.00 O ATOM 1178 CB ILE A 65 7.203 -2.207 46.657 1.00 0.00 C ATOM 1179 CG1 ILE A 65 8.183 -1.440 47.548 1.00 0.00 C ATOM 1180 CG2 ILE A 65 6.490 -1.229 45.720 1.00 0.00 C ATOM 1181 CD1 ILE A 65 9.210 -2.406 48.142 1.00 0.00 C ATOM 0 H ILE A 65 4.859 -3.798 46.134 1.00 0.00 H new ATOM 0 HA ILE A 65 6.715 -3.367 48.389 1.00 0.00 H new ATOM 0 HB ILE A 65 7.750 -2.933 46.056 1.00 0.00 H new ATOM 0 HG12 ILE A 65 8.689 -0.669 46.967 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.642 -0.934 48.347 1.00 0.00 H new ATOM 0 HG21 ILE A 65 7.227 -0.702 45.114 1.00 0.00 H new ATOM 0 HG22 ILE A 65 5.811 -1.779 45.068 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.923 -0.508 46.309 1.00 0.00 H new ATOM 0 HD11 ILE A 65 9.905 -1.854 48.775 1.00 0.00 H new ATOM 0 HD12 ILE A 65 8.697 -3.161 48.738 1.00 0.00 H new ATOM 0 HD13 ILE A 65 9.761 -2.892 47.337 1.00 0.00 H new ATOM 1193 N GLN A 66 3.832 -2.395 47.821 1.00 0.00 N ATOM 1194 CA GLN A 66 2.709 -1.567 48.244 1.00 0.00 C ATOM 1195 C GLN A 66 2.941 -0.108 47.861 1.00 0.00 C ATOM 1196 O GLN A 66 2.676 0.804 48.645 1.00 0.00 O ATOM 1197 CB GLN A 66 2.517 -1.698 49.756 1.00 0.00 C ATOM 1198 CG GLN A 66 2.064 -3.119 50.095 1.00 0.00 C ATOM 1199 CD GLN A 66 1.914 -3.262 51.606 1.00 0.00 C ATOM 1200 OE1 GLN A 66 2.881 -3.082 52.347 1.00 0.00 O ATOM 1201 NE2 GLN A 66 0.751 -3.568 52.109 1.00 0.00 N ATOM 0 H GLN A 66 3.562 -3.266 47.364 1.00 0.00 H new ATOM 0 HA GLN A 66 1.807 -1.910 47.737 1.00 0.00 H new ATOM 0 HB2 GLN A 66 3.450 -1.470 50.272 1.00 0.00 H new ATOM 0 HB3 GLN A 66 1.776 -0.977 50.102 1.00 0.00 H new ATOM 0 HG2 GLN A 66 1.116 -3.336 49.603 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.790 -3.842 49.722 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -0.048 -3.716 51.493 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.640 -3.659 53.119 1.00 0.00 H new ATOM 1210 N ALA A 67 3.433 0.104 46.644 1.00 0.00 N ATOM 1211 CA ALA A 67 3.698 1.457 46.164 1.00 0.00 C ATOM 1212 C ALA A 67 2.407 2.266 46.102 1.00 0.00 C ATOM 1213 O ALA A 67 2.402 3.459 46.405 1.00 0.00 O ATOM 1214 CB ALA A 67 4.357 1.418 44.784 1.00 0.00 C ATOM 0 H ALA A 67 3.655 -0.636 45.977 1.00 0.00 H new ATOM 0 HA ALA A 67 4.380 1.938 46.865 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.547 2.436 44.443 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.300 0.874 44.846 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.695 0.916 44.079 1.00 0.00 H new ATOM 1220 N GLU A 68 1.324 1.605 45.704 1.00 0.00 N ATOM 1221 CA GLU A 68 0.021 2.251 45.593 1.00 0.00 C ATOM 1222 C GLU A 68 -0.813 2.007 46.848 1.00 0.00 C ATOM 1223 O GLU A 68 -1.382 2.959 47.354 1.00 0.00 O ATOM 1224 CB GLU A 68 -0.729 1.718 44.368 1.00 0.00 C ATOM 1225 CG GLU A 68 -0.954 0.208 44.491 1.00 0.00 C ATOM 1226 CD GLU A 68 -1.811 -0.305 43.338 1.00 0.00 C ATOM 1227 OE1 GLU A 68 -2.777 0.358 42.997 1.00 0.00 O ATOM 1228 OE2 GLU A 68 -1.496 -1.365 42.824 1.00 0.00 O ATOM 0 H GLU A 68 1.324 0.617 45.452 1.00 0.00 H new ATOM 0 HA GLU A 68 0.182 3.323 45.482 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -1.688 2.228 44.271 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.160 1.934 43.464 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.006 -0.309 44.495 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.441 -0.016 45.440 1.00 0.00 H new TER 1235 GLU A 68