USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 618 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 Set 1.1: A 26 HIS : no HE2:sc= -14.7! C(o=-16!,f=-21!) USER MOD Set 1.2: B 30 HIS : no HD1:sc= -0.964 K(o=-16,f=-15) USER MOD Set 2.1: A 30 HIS : no HD1:sc= -0.946 K(o=-16,f=-15) USER MOD Set 2.2: B 26 HIS : no HE2:sc= -14.7! C(o=-16!,f=-22!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -116:sc= 0.288 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 159:sc= -0.0327 (180deg=-0.199) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 LYS NZ :NH3+ -123:sc= 0.236 (180deg=0) USER MOD Single : B 11 LYS NZ :NH3+ 155:sc=-0.00406 (180deg=-0.21) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.513 13.011 -7.092 1.00 0.00 N ATOM 2 CA GLY A 1 24.219 11.757 -7.481 1.00 0.00 C ATOM 3 C GLY A 1 25.673 11.823 -7.009 1.00 0.00 C ATOM 4 O GLY A 1 26.581 12.025 -7.791 1.00 0.00 O ATOM 0 H1 GLY A 1 22.525 12.967 -7.413 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.537 13.116 -6.058 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.984 13.826 -7.534 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.721 10.894 -7.039 1.00 0.00 H new ATOM 0 HA3 GLY A 1 24.182 11.627 -8.563 1.00 0.00 H new ATOM 10 N GLU A 2 25.902 11.653 -5.736 1.00 0.00 N ATOM 11 CA GLU A 2 27.299 11.706 -5.216 1.00 0.00 C ATOM 12 C GLU A 2 27.722 10.328 -4.697 1.00 0.00 C ATOM 13 O GLU A 2 28.887 9.983 -4.701 1.00 0.00 O ATOM 14 CB GLU A 2 27.258 12.721 -4.074 1.00 0.00 C ATOM 15 CG GLU A 2 27.980 14.000 -4.502 1.00 0.00 C ATOM 16 CD GLU A 2 29.492 13.786 -4.414 1.00 0.00 C ATOM 17 OE1 GLU A 2 29.943 13.297 -3.391 1.00 0.00 O ATOM 18 OE2 GLU A 2 30.174 14.114 -5.371 1.00 0.00 O ATOM 0 H GLU A 2 25.183 11.480 -5.033 1.00 0.00 H new ATOM 0 HA GLU A 2 28.017 11.989 -5.986 1.00 0.00 H new ATOM 0 HB2 GLU A 2 26.225 12.945 -3.810 1.00 0.00 H new ATOM 0 HB3 GLU A 2 27.731 12.304 -3.185 1.00 0.00 H new ATOM 0 HG2 GLU A 2 27.698 14.266 -5.521 1.00 0.00 H new ATOM 0 HG3 GLU A 2 27.682 14.830 -3.862 1.00 0.00 H new ATOM 25 N VAL A 3 26.783 9.539 -4.250 1.00 0.00 N ATOM 26 CA VAL A 3 27.129 8.184 -3.731 1.00 0.00 C ATOM 27 C VAL A 3 27.451 7.235 -4.888 1.00 0.00 C ATOM 28 O VAL A 3 28.076 6.209 -4.705 1.00 0.00 O ATOM 29 CB VAL A 3 25.879 7.715 -2.987 1.00 0.00 C ATOM 30 CG1 VAL A 3 24.688 7.705 -3.949 1.00 0.00 C ATOM 31 CG2 VAL A 3 26.109 6.303 -2.445 1.00 0.00 C ATOM 0 H VAL A 3 25.791 9.774 -4.222 1.00 0.00 H new ATOM 0 HA VAL A 3 28.007 8.203 -3.086 1.00 0.00 H new ATOM 0 HB VAL A 3 25.672 8.393 -2.159 1.00 0.00 H new ATOM 0 HG11 VAL A 3 23.796 7.371 -3.420 1.00 0.00 H new ATOM 0 HG12 VAL A 3 24.525 8.711 -4.336 1.00 0.00 H new ATOM 0 HG13 VAL A 3 24.895 7.026 -4.777 1.00 0.00 H new ATOM 0 HG21 VAL A 3 25.218 5.967 -1.914 1.00 0.00 H new ATOM 0 HG22 VAL A 3 26.315 5.625 -3.273 1.00 0.00 H new ATOM 0 HG23 VAL A 3 26.958 6.310 -1.761 1.00 0.00 H new ATOM 41 N GLU A 4 27.030 7.567 -6.077 1.00 0.00 N ATOM 42 CA GLU A 4 27.313 6.681 -7.243 1.00 0.00 C ATOM 43 C GLU A 4 28.813 6.391 -7.341 1.00 0.00 C ATOM 44 O GLU A 4 29.228 5.421 -7.943 1.00 0.00 O ATOM 45 CB GLU A 4 26.841 7.471 -8.463 1.00 0.00 C ATOM 46 CG GLU A 4 25.802 6.650 -9.230 1.00 0.00 C ATOM 47 CD GLU A 4 25.454 7.364 -10.539 1.00 0.00 C ATOM 48 OE1 GLU A 4 26.366 7.852 -11.185 1.00 0.00 O ATOM 49 OE2 GLU A 4 24.281 7.410 -10.871 1.00 0.00 O ATOM 0 H GLU A 4 26.502 8.413 -6.292 1.00 0.00 H new ATOM 0 HA GLU A 4 26.810 5.718 -7.159 1.00 0.00 H new ATOM 0 HB2 GLU A 4 26.410 8.422 -8.150 1.00 0.00 H new ATOM 0 HB3 GLU A 4 27.687 7.702 -9.110 1.00 0.00 H new ATOM 0 HG2 GLU A 4 26.192 5.654 -9.439 1.00 0.00 H new ATOM 0 HG3 GLU A 4 24.905 6.521 -8.624 1.00 0.00 H new ATOM 56 N GLU A 5 29.631 7.224 -6.758 1.00 0.00 N ATOM 57 CA GLU A 5 31.103 6.992 -6.823 1.00 0.00 C ATOM 58 C GLU A 5 31.492 5.793 -5.954 1.00 0.00 C ATOM 59 O GLU A 5 32.138 4.870 -6.408 1.00 0.00 O ATOM 60 CB GLU A 5 31.730 8.274 -6.277 1.00 0.00 C ATOM 61 CG GLU A 5 32.451 9.010 -7.409 1.00 0.00 C ATOM 62 CD GLU A 5 33.376 10.076 -6.818 1.00 0.00 C ATOM 63 OE1 GLU A 5 34.095 9.758 -5.886 1.00 0.00 O ATOM 64 OE2 GLU A 5 33.348 11.193 -7.309 1.00 0.00 O ATOM 0 H GLU A 5 29.345 8.055 -6.240 1.00 0.00 H new ATOM 0 HA GLU A 5 31.440 6.771 -7.836 1.00 0.00 H new ATOM 0 HB2 GLU A 5 30.960 8.913 -5.845 1.00 0.00 H new ATOM 0 HB3 GLU A 5 32.432 8.037 -5.478 1.00 0.00 H new ATOM 0 HG2 GLU A 5 33.028 8.304 -8.007 1.00 0.00 H new ATOM 0 HG3 GLU A 5 31.724 9.473 -8.076 1.00 0.00 H new ATOM 71 N LEU A 6 31.104 5.799 -4.708 1.00 0.00 N ATOM 72 CA LEU A 6 31.454 4.657 -3.814 1.00 0.00 C ATOM 73 C LEU A 6 30.819 3.367 -4.364 1.00 0.00 C ATOM 74 O LEU A 6 31.367 2.288 -4.241 1.00 0.00 O ATOM 75 CB LEU A 6 30.923 5.084 -2.415 1.00 0.00 C ATOM 76 CG LEU A 6 29.895 4.098 -1.828 1.00 0.00 C ATOM 77 CD1 LEU A 6 30.608 2.851 -1.306 1.00 0.00 C ATOM 78 CD2 LEU A 6 29.169 4.770 -0.659 1.00 0.00 C ATOM 0 H LEU A 6 30.561 6.543 -4.270 1.00 0.00 H new ATOM 0 HA LEU A 6 32.520 4.439 -3.752 1.00 0.00 H new ATOM 0 HB2 LEU A 6 31.763 5.175 -1.727 1.00 0.00 H new ATOM 0 HB3 LEU A 6 30.467 6.071 -2.493 1.00 0.00 H new ATOM 0 HG LEU A 6 29.186 3.815 -2.606 1.00 0.00 H new ATOM 0 HD11 LEU A 6 29.875 2.159 -0.893 1.00 0.00 H new ATOM 0 HD12 LEU A 6 31.142 2.368 -2.124 1.00 0.00 H new ATOM 0 HD13 LEU A 6 31.317 3.136 -0.528 1.00 0.00 H new ATOM 0 HD21 LEU A 6 28.439 4.078 -0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 6 29.892 5.046 0.108 1.00 0.00 H new ATOM 0 HD23 LEU A 6 28.658 5.665 -1.014 1.00 0.00 H new ATOM 90 N GLU A 7 29.682 3.478 -4.992 1.00 0.00 N ATOM 91 CA GLU A 7 29.024 2.268 -5.566 1.00 0.00 C ATOM 92 C GLU A 7 29.895 1.672 -6.673 1.00 0.00 C ATOM 93 O GLU A 7 30.186 0.489 -6.687 1.00 0.00 O ATOM 94 CB GLU A 7 27.709 2.774 -6.154 1.00 0.00 C ATOM 95 CG GLU A 7 26.781 1.587 -6.421 1.00 0.00 C ATOM 96 CD GLU A 7 25.472 2.090 -7.034 1.00 0.00 C ATOM 97 OE1 GLU A 7 25.146 3.246 -6.820 1.00 0.00 O ATOM 98 OE2 GLU A 7 24.819 1.310 -7.708 1.00 0.00 O ATOM 0 H GLU A 7 29.179 4.354 -5.133 1.00 0.00 H new ATOM 0 HA GLU A 7 28.870 1.490 -4.818 1.00 0.00 H new ATOM 0 HB2 GLU A 7 27.235 3.473 -5.465 1.00 0.00 H new ATOM 0 HB3 GLU A 7 27.897 3.318 -7.080 1.00 0.00 H new ATOM 0 HG2 GLU A 7 27.263 0.880 -7.096 1.00 0.00 H new ATOM 0 HG3 GLU A 7 26.579 1.054 -5.492 1.00 0.00 H new ATOM 105 N LYS A 8 30.304 2.488 -7.605 1.00 0.00 N ATOM 106 CA LYS A 8 31.152 1.983 -8.721 1.00 0.00 C ATOM 107 C LYS A 8 32.413 1.330 -8.168 1.00 0.00 C ATOM 108 O LYS A 8 32.721 0.205 -8.485 1.00 0.00 O ATOM 109 CB LYS A 8 31.502 3.218 -9.552 1.00 0.00 C ATOM 110 CG LYS A 8 30.870 3.097 -10.940 1.00 0.00 C ATOM 111 CD LYS A 8 29.611 3.963 -11.002 1.00 0.00 C ATOM 112 CE LYS A 8 28.444 3.127 -11.531 1.00 0.00 C ATOM 113 NZ LYS A 8 27.833 2.515 -10.317 1.00 0.00 N ATOM 0 H LYS A 8 30.087 3.484 -7.642 1.00 0.00 H new ATOM 0 HA LYS A 8 30.640 1.228 -9.318 1.00 0.00 H new ATOM 0 HB2 LYS A 8 31.141 4.118 -9.054 1.00 0.00 H new ATOM 0 HB3 LYS A 8 32.584 3.315 -9.641 1.00 0.00 H new ATOM 0 HG2 LYS A 8 31.580 3.413 -11.704 1.00 0.00 H new ATOM 0 HG3 LYS A 8 30.620 2.057 -11.148 1.00 0.00 H new ATOM 0 HD2 LYS A 8 29.375 4.352 -10.011 1.00 0.00 H new ATOM 0 HD3 LYS A 8 29.780 4.823 -11.650 1.00 0.00 H new ATOM 0 HE2 LYS A 8 27.725 3.746 -12.067 1.00 0.00 H new ATOM 0 HE3 LYS A 8 28.789 2.363 -12.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 27.023 1.925 -10.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 28.540 1.926 -9.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 27.509 3.266 -9.675 1.00 0.00 H new ATOM 127 N LYS A 9 33.138 2.018 -7.335 1.00 0.00 N ATOM 128 CA LYS A 9 34.370 1.412 -6.753 1.00 0.00 C ATOM 129 C LYS A 9 34.003 0.106 -6.049 1.00 0.00 C ATOM 130 O LYS A 9 34.820 -0.777 -5.875 1.00 0.00 O ATOM 131 CB LYS A 9 34.880 2.441 -5.745 1.00 0.00 C ATOM 132 CG LYS A 9 35.813 3.427 -6.450 1.00 0.00 C ATOM 133 CD LYS A 9 37.186 2.780 -6.645 1.00 0.00 C ATOM 134 CE LYS A 9 37.749 3.179 -8.010 1.00 0.00 C ATOM 135 NZ LYS A 9 38.411 4.494 -7.778 1.00 0.00 N ATOM 0 H LYS A 9 32.934 2.970 -7.031 1.00 0.00 H new ATOM 0 HA LYS A 9 35.124 1.180 -7.505 1.00 0.00 H new ATOM 0 HB2 LYS A 9 34.041 2.974 -5.298 1.00 0.00 H new ATOM 0 HB3 LYS A 9 35.409 1.940 -4.934 1.00 0.00 H new ATOM 0 HG2 LYS A 9 35.394 3.714 -7.414 1.00 0.00 H new ATOM 0 HG3 LYS A 9 35.909 4.338 -5.860 1.00 0.00 H new ATOM 0 HD2 LYS A 9 37.865 3.097 -5.853 1.00 0.00 H new ATOM 0 HD3 LYS A 9 37.102 1.695 -6.578 1.00 0.00 H new ATOM 0 HE2 LYS A 9 38.459 2.438 -8.377 1.00 0.00 H new ATOM 0 HE3 LYS A 9 36.958 3.260 -8.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 37.924 5.230 -8.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 38.366 4.732 -6.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 39.406 4.439 -8.077 1.00 0.00 H new ATOM 149 N PHE A 10 32.772 -0.012 -5.640 1.00 0.00 N ATOM 150 CA PHE A 10 32.319 -1.242 -4.939 1.00 0.00 C ATOM 151 C PHE A 10 32.362 -2.463 -5.866 1.00 0.00 C ATOM 152 O PHE A 10 33.128 -3.385 -5.655 1.00 0.00 O ATOM 153 CB PHE A 10 30.877 -0.935 -4.529 1.00 0.00 C ATOM 154 CG PHE A 10 30.551 -1.665 -3.257 1.00 0.00 C ATOM 155 CD1 PHE A 10 31.144 -1.261 -2.041 1.00 0.00 C ATOM 156 CD2 PHE A 10 29.653 -2.754 -3.281 1.00 0.00 C ATOM 157 CE1 PHE A 10 30.838 -1.947 -0.847 1.00 0.00 C ATOM 158 CE2 PHE A 10 29.347 -3.439 -2.087 1.00 0.00 C ATOM 159 CZ PHE A 10 29.940 -3.034 -0.870 1.00 0.00 C ATOM 0 H PHE A 10 32.053 0.700 -5.764 1.00 0.00 H new ATOM 0 HA PHE A 10 32.959 -1.485 -4.091 1.00 0.00 H new ATOM 0 HB2 PHE A 10 30.749 0.138 -4.388 1.00 0.00 H new ATOM 0 HB3 PHE A 10 30.191 -1.237 -5.320 1.00 0.00 H new ATOM 0 HD1 PHE A 10 31.831 -0.428 -2.025 1.00 0.00 H new ATOM 0 HD2 PHE A 10 29.201 -3.062 -4.212 1.00 0.00 H new ATOM 0 HE1 PHE A 10 31.291 -1.640 0.084 1.00 0.00 H new ATOM 0 HE2 PHE A 10 28.660 -4.272 -2.103 1.00 0.00 H new ATOM 0 HZ PHE A 10 29.705 -3.558 0.045 1.00 0.00 H new ATOM 169 N LYS A 11 31.539 -2.491 -6.880 1.00 0.00 N ATOM 170 CA LYS A 11 31.538 -3.677 -7.790 1.00 0.00 C ATOM 171 C LYS A 11 32.846 -3.759 -8.579 1.00 0.00 C ATOM 172 O LYS A 11 33.230 -4.808 -9.061 1.00 0.00 O ATOM 173 CB LYS A 11 30.348 -3.492 -8.733 1.00 0.00 C ATOM 174 CG LYS A 11 30.363 -2.091 -9.345 1.00 0.00 C ATOM 175 CD LYS A 11 29.257 -1.261 -8.698 1.00 0.00 C ATOM 176 CE LYS A 11 27.978 -1.374 -9.531 1.00 0.00 C ATOM 177 NZ LYS A 11 26.908 -1.700 -8.546 1.00 0.00 N ATOM 0 H LYS A 11 30.874 -1.755 -7.117 1.00 0.00 H new ATOM 0 HA LYS A 11 31.454 -4.605 -7.225 1.00 0.00 H new ATOM 0 HB2 LYS A 11 30.383 -4.241 -9.524 1.00 0.00 H new ATOM 0 HB3 LYS A 11 29.417 -3.647 -8.188 1.00 0.00 H new ATOM 0 HG2 LYS A 11 31.332 -1.619 -9.184 1.00 0.00 H new ATOM 0 HG3 LYS A 11 30.211 -2.148 -10.423 1.00 0.00 H new ATOM 0 HD2 LYS A 11 29.073 -1.610 -7.682 1.00 0.00 H new ATOM 0 HD3 LYS A 11 29.566 -0.218 -8.626 1.00 0.00 H new ATOM 0 HE2 LYS A 11 27.763 -0.442 -10.054 1.00 0.00 H new ATOM 0 HE3 LYS A 11 28.068 -2.152 -10.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 25.981 -1.450 -8.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 26.930 -2.718 -8.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 27.065 -1.160 -7.671 1.00 0.00 H new ATOM 191 N GLU A 12 33.534 -2.665 -8.705 1.00 0.00 N ATOM 192 CA GLU A 12 34.819 -2.673 -9.455 1.00 0.00 C ATOM 193 C GLU A 12 35.923 -3.255 -8.578 1.00 0.00 C ATOM 194 O GLU A 12 36.898 -3.792 -9.063 1.00 0.00 O ATOM 195 CB GLU A 12 35.103 -1.205 -9.774 1.00 0.00 C ATOM 196 CG GLU A 12 34.483 -0.846 -11.126 1.00 0.00 C ATOM 197 CD GLU A 12 35.555 -0.920 -12.216 1.00 0.00 C ATOM 198 OE1 GLU A 12 35.907 -2.024 -12.598 1.00 0.00 O ATOM 199 OE2 GLU A 12 36.004 0.128 -12.650 1.00 0.00 O ATOM 0 H GLU A 12 33.263 -1.760 -8.320 1.00 0.00 H new ATOM 0 HA GLU A 12 34.771 -3.280 -10.359 1.00 0.00 H new ATOM 0 HB2 GLU A 12 34.692 -0.566 -8.992 1.00 0.00 H new ATOM 0 HB3 GLU A 12 36.178 -1.028 -9.797 1.00 0.00 H new ATOM 0 HG2 GLU A 12 33.667 -1.531 -11.357 1.00 0.00 H new ATOM 0 HG3 GLU A 12 34.057 0.157 -11.088 1.00 0.00 H new ATOM 206 N LEU A 13 35.777 -3.156 -7.286 1.00 0.00 N ATOM 207 CA LEU A 13 36.820 -3.710 -6.385 1.00 0.00 C ATOM 208 C LEU A 13 36.644 -5.226 -6.260 1.00 0.00 C ATOM 209 O LEU A 13 37.605 -5.968 -6.227 1.00 0.00 O ATOM 210 CB LEU A 13 36.603 -3.007 -5.048 1.00 0.00 C ATOM 211 CG LEU A 13 37.522 -1.785 -4.980 1.00 0.00 C ATOM 212 CD1 LEU A 13 37.007 -0.813 -3.918 1.00 0.00 C ATOM 213 CD2 LEU A 13 38.940 -2.232 -4.619 1.00 0.00 C ATOM 0 H LEU A 13 34.984 -2.717 -6.819 1.00 0.00 H new ATOM 0 HA LEU A 13 37.832 -3.545 -6.755 1.00 0.00 H new ATOM 0 HB2 LEU A 13 35.561 -2.702 -4.946 1.00 0.00 H new ATOM 0 HB3 LEU A 13 36.818 -3.688 -4.224 1.00 0.00 H new ATOM 0 HG LEU A 13 37.533 -1.287 -5.950 1.00 0.00 H new ATOM 0 HD11 LEU A 13 37.663 0.056 -3.872 1.00 0.00 H new ATOM 0 HD12 LEU A 13 35.998 -0.493 -4.177 1.00 0.00 H new ATOM 0 HD13 LEU A 13 36.992 -1.309 -2.947 1.00 0.00 H new ATOM 0 HD21 LEU A 13 39.595 -1.362 -4.571 1.00 0.00 H new ATOM 0 HD22 LEU A 13 38.928 -2.732 -3.650 1.00 0.00 H new ATOM 0 HD23 LEU A 13 39.309 -2.921 -5.379 1.00 0.00 H new ATOM 225 N TRP A 14 35.426 -5.697 -6.214 1.00 0.00 N ATOM 226 CA TRP A 14 35.210 -7.172 -6.119 1.00 0.00 C ATOM 227 C TRP A 14 35.713 -7.837 -7.398 1.00 0.00 C ATOM 228 O TRP A 14 36.414 -8.829 -7.366 1.00 0.00 O ATOM 229 CB TRP A 14 33.699 -7.358 -6.001 1.00 0.00 C ATOM 230 CG TRP A 14 33.353 -7.799 -4.619 1.00 0.00 C ATOM 231 CD1 TRP A 14 33.490 -9.058 -4.133 1.00 0.00 C ATOM 232 CD2 TRP A 14 32.815 -7.000 -3.539 1.00 0.00 C ATOM 233 NE1 TRP A 14 33.063 -9.079 -2.818 1.00 0.00 N ATOM 234 CE2 TRP A 14 32.638 -7.837 -2.402 1.00 0.00 C ATOM 235 CE3 TRP A 14 32.462 -5.634 -3.433 1.00 0.00 C ATOM 236 CZ2 TRP A 14 32.127 -7.334 -1.197 1.00 0.00 C ATOM 237 CZ3 TRP A 14 31.949 -5.121 -2.223 1.00 0.00 C ATOM 238 CH2 TRP A 14 31.781 -5.970 -1.106 1.00 0.00 C ATOM 0 H TRP A 14 34.578 -5.131 -6.238 1.00 0.00 H new ATOM 0 HA TRP A 14 35.739 -7.613 -5.274 1.00 0.00 H new ATOM 0 HB2 TRP A 14 33.189 -6.423 -6.233 1.00 0.00 H new ATOM 0 HB3 TRP A 14 33.356 -8.097 -6.725 1.00 0.00 H new ATOM 0 HD1 TRP A 14 33.871 -9.906 -4.683 1.00 0.00 H new ATOM 0 HE1 TRP A 14 33.063 -9.912 -2.229 1.00 0.00 H new ATOM 0 HE3 TRP A 14 32.586 -4.980 -4.284 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 31.999 -7.986 -0.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 31.684 -4.077 -2.150 1.00 0.00 H new ATOM 0 HH2 TRP A 14 31.387 -5.574 -0.182 1.00 0.00 H new ATOM 249 N LYS A 15 35.354 -7.289 -8.525 1.00 0.00 N ATOM 250 CA LYS A 15 35.800 -7.873 -9.818 1.00 0.00 C ATOM 251 C LYS A 15 36.916 -7.011 -10.415 1.00 0.00 C ATOM 252 O LYS A 15 36.693 -6.203 -11.295 1.00 0.00 O ATOM 253 CB LYS A 15 34.549 -7.851 -10.694 1.00 0.00 C ATOM 254 CG LYS A 15 34.898 -8.303 -12.115 1.00 0.00 C ATOM 255 CD LYS A 15 34.988 -9.830 -12.158 1.00 0.00 C ATOM 256 CE LYS A 15 34.338 -10.343 -13.445 1.00 0.00 C ATOM 257 NZ LYS A 15 35.463 -10.908 -14.243 1.00 0.00 N ATOM 0 H LYS A 15 34.768 -6.458 -8.605 1.00 0.00 H new ATOM 0 HA LYS A 15 36.205 -8.880 -9.720 1.00 0.00 H new ATOM 0 HB2 LYS A 15 33.787 -8.506 -10.272 1.00 0.00 H new ATOM 0 HB3 LYS A 15 34.128 -6.846 -10.716 1.00 0.00 H new ATOM 0 HG2 LYS A 15 34.140 -7.953 -12.816 1.00 0.00 H new ATOM 0 HG3 LYS A 15 35.846 -7.863 -12.425 1.00 0.00 H new ATOM 0 HD2 LYS A 15 36.031 -10.145 -12.114 1.00 0.00 H new ATOM 0 HD3 LYS A 15 34.488 -10.259 -11.289 1.00 0.00 H new ATOM 0 HE2 LYS A 15 33.585 -11.101 -13.232 1.00 0.00 H new ATOM 0 HE3 LYS A 15 33.837 -9.538 -13.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 35.098 -11.281 -15.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 36.161 -10.162 -14.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 35.916 -11.676 -13.708 1.00 0.00 H new ATOM 271 N GLY A 16 38.115 -7.173 -9.927 1.00 0.00 N ATOM 272 CA GLY A 16 39.257 -6.366 -10.442 1.00 0.00 C ATOM 273 C GLY A 16 40.441 -6.522 -9.481 1.00 0.00 C ATOM 274 O GLY A 16 41.231 -7.435 -9.616 1.00 0.00 O ATOM 0 H GLY A 16 38.354 -7.835 -9.188 1.00 0.00 H new ATOM 0 HA2 GLY A 16 39.535 -6.700 -11.442 1.00 0.00 H new ATOM 0 HA3 GLY A 16 38.972 -5.317 -10.524 1.00 0.00 H new ATOM 278 N PRO A 17 40.516 -5.627 -8.528 1.00 0.00 N ATOM 279 CA PRO A 17 41.604 -5.677 -7.526 1.00 0.00 C ATOM 280 C PRO A 17 41.282 -6.750 -6.481 1.00 0.00 C ATOM 281 O PRO A 17 40.504 -7.649 -6.732 1.00 0.00 O ATOM 282 CB PRO A 17 41.585 -4.279 -6.911 1.00 0.00 C ATOM 283 CG PRO A 17 40.189 -3.775 -7.112 1.00 0.00 C ATOM 284 CD PRO A 17 39.606 -4.498 -8.302 1.00 0.00 C ATOM 0 HA PRO A 17 42.579 -5.930 -7.941 1.00 0.00 H new ATOM 0 HB2 PRO A 17 41.842 -4.312 -5.852 1.00 0.00 H new ATOM 0 HB3 PRO A 17 42.312 -3.627 -7.395 1.00 0.00 H new ATOM 0 HG2 PRO A 17 39.586 -3.955 -6.222 1.00 0.00 H new ATOM 0 HG3 PRO A 17 40.192 -2.698 -7.283 1.00 0.00 H new ATOM 0 HD2 PRO A 17 38.591 -4.841 -8.100 1.00 0.00 H new ATOM 0 HD3 PRO A 17 39.555 -3.848 -9.176 1.00 0.00 H new ATOM 292 N ARG A 18 41.865 -6.670 -5.312 1.00 0.00 N ATOM 293 CA ARG A 18 41.574 -7.693 -4.262 1.00 0.00 C ATOM 294 C ARG A 18 40.056 -7.886 -4.114 1.00 0.00 C ATOM 295 O ARG A 18 39.272 -7.170 -4.704 1.00 0.00 O ATOM 296 CB ARG A 18 42.207 -7.133 -2.969 1.00 0.00 C ATOM 297 CG ARG A 18 41.282 -6.104 -2.290 1.00 0.00 C ATOM 298 CD ARG A 18 41.144 -4.861 -3.172 1.00 0.00 C ATOM 299 NE ARG A 18 42.536 -4.351 -3.358 1.00 0.00 N ATOM 300 CZ ARG A 18 43.241 -3.969 -2.326 1.00 0.00 C ATOM 301 NH1 ARG A 18 42.705 -3.202 -1.416 1.00 0.00 N ATOM 302 NH2 ARG A 18 44.482 -4.357 -2.204 1.00 0.00 N ATOM 0 H ARG A 18 42.527 -5.944 -5.040 1.00 0.00 H new ATOM 0 HA ARG A 18 41.982 -8.674 -4.508 1.00 0.00 H new ATOM 0 HB2 ARG A 18 42.412 -7.951 -2.279 1.00 0.00 H new ATOM 0 HB3 ARG A 18 43.164 -6.666 -3.203 1.00 0.00 H new ATOM 0 HG2 ARG A 18 40.301 -6.545 -2.114 1.00 0.00 H new ATOM 0 HG3 ARG A 18 41.686 -5.826 -1.317 1.00 0.00 H new ATOM 0 HD2 ARG A 18 40.685 -5.107 -4.129 1.00 0.00 H new ATOM 0 HD3 ARG A 18 40.511 -4.111 -2.698 1.00 0.00 H new ATOM 0 HE ARG A 18 42.938 -4.301 -4.294 1.00 0.00 H new ATOM 0 HH11 ARG A 18 41.735 -2.900 -1.510 1.00 0.00 H new ATOM 0 HH12 ARG A 18 43.256 -2.904 -0.611 1.00 0.00 H new ATOM 0 HH21 ARG A 18 44.901 -4.958 -2.914 1.00 0.00 H new ATOM 0 HH22 ARG A 18 45.033 -4.059 -1.399 1.00 0.00 H new ATOM 316 N ARG A 19 39.639 -8.838 -3.329 1.00 0.00 N ATOM 317 CA ARG A 19 38.176 -9.057 -3.153 1.00 0.00 C ATOM 318 C ARG A 19 37.861 -9.395 -1.693 1.00 0.00 C ATOM 319 O ARG A 19 36.887 -8.931 -1.137 1.00 0.00 O ATOM 320 CB ARG A 19 37.836 -10.236 -4.065 1.00 0.00 C ATOM 321 CG ARG A 19 36.329 -10.501 -4.014 1.00 0.00 C ATOM 322 CD ARG A 19 36.081 -11.984 -3.732 1.00 0.00 C ATOM 323 NE ARG A 19 36.051 -12.629 -5.075 1.00 0.00 N ATOM 324 CZ ARG A 19 36.209 -13.919 -5.184 1.00 0.00 C ATOM 325 NH1 ARG A 19 37.183 -14.513 -4.550 1.00 0.00 N ATOM 326 NH2 ARG A 19 35.393 -14.617 -5.925 1.00 0.00 N ATOM 0 H ARG A 19 40.243 -9.471 -2.804 1.00 0.00 H new ATOM 0 HA ARG A 19 37.594 -8.170 -3.404 1.00 0.00 H new ATOM 0 HB2 ARG A 19 38.144 -10.019 -5.088 1.00 0.00 H new ATOM 0 HB3 ARG A 19 38.383 -11.124 -3.749 1.00 0.00 H new ATOM 0 HG2 ARG A 19 35.868 -9.890 -3.238 1.00 0.00 H new ATOM 0 HG3 ARG A 19 35.867 -10.217 -4.960 1.00 0.00 H new ATOM 0 HD2 ARG A 19 36.870 -12.405 -3.109 1.00 0.00 H new ATOM 0 HD3 ARG A 19 35.141 -12.134 -3.201 1.00 0.00 H new ATOM 0 HE ARG A 19 35.907 -12.061 -5.910 1.00 0.00 H new ATOM 0 HH11 ARG A 19 37.821 -13.968 -3.969 1.00 0.00 H new ATOM 0 HH12 ARG A 19 37.307 -15.522 -4.635 1.00 0.00 H new ATOM 0 HH21 ARG A 19 34.631 -14.154 -6.420 1.00 0.00 H new ATOM 0 HH22 ARG A 19 35.517 -15.626 -6.010 1.00 0.00 H new ATOM 340 N GLY A 20 38.675 -10.201 -1.070 1.00 0.00 N ATOM 341 CA GLY A 20 38.416 -10.565 0.351 1.00 0.00 C ATOM 342 C GLY A 20 38.511 -9.312 1.224 1.00 0.00 C ATOM 343 O GLY A 20 37.823 -9.182 2.217 1.00 0.00 O ATOM 0 H GLY A 20 39.507 -10.623 -1.483 1.00 0.00 H new ATOM 0 HA2 GLY A 20 37.428 -11.015 0.448 1.00 0.00 H new ATOM 0 HA3 GLY A 20 39.139 -11.309 0.685 1.00 0.00 H new ATOM 347 N GLU A 21 39.359 -8.387 0.863 1.00 0.00 N ATOM 348 CA GLU A 21 39.496 -7.143 1.674 1.00 0.00 C ATOM 349 C GLU A 21 38.291 -6.226 1.443 1.00 0.00 C ATOM 350 O GLU A 21 37.876 -5.495 2.321 1.00 0.00 O ATOM 351 CB GLU A 21 40.779 -6.481 1.171 1.00 0.00 C ATOM 352 CG GLU A 21 41.874 -6.623 2.229 1.00 0.00 C ATOM 353 CD GLU A 21 43.199 -6.975 1.549 1.00 0.00 C ATOM 354 OE1 GLU A 21 43.510 -6.355 0.545 1.00 0.00 O ATOM 355 OE2 GLU A 21 43.880 -7.858 2.043 1.00 0.00 O ATOM 0 H GLU A 21 39.962 -8.439 0.042 1.00 0.00 H new ATOM 0 HA GLU A 21 39.537 -7.349 2.743 1.00 0.00 H new ATOM 0 HB2 GLU A 21 41.098 -6.944 0.237 1.00 0.00 H new ATOM 0 HB3 GLU A 21 40.598 -5.427 0.958 1.00 0.00 H new ATOM 0 HG2 GLU A 21 41.976 -5.693 2.789 1.00 0.00 H new ATOM 0 HG3 GLU A 21 41.604 -7.399 2.946 1.00 0.00 H new ATOM 362 N ILE A 22 37.725 -6.261 0.268 1.00 0.00 N ATOM 363 CA ILE A 22 36.545 -5.395 -0.018 1.00 0.00 C ATOM 364 C ILE A 22 35.334 -5.896 0.767 1.00 0.00 C ATOM 365 O ILE A 22 34.745 -5.173 1.546 1.00 0.00 O ATOM 366 CB ILE A 22 36.308 -5.533 -1.521 1.00 0.00 C ATOM 367 CG1 ILE A 22 37.569 -5.109 -2.277 1.00 0.00 C ATOM 368 CG2 ILE A 22 35.134 -4.646 -1.939 1.00 0.00 C ATOM 369 CD1 ILE A 22 37.861 -3.629 -2.010 1.00 0.00 C ATOM 0 H ILE A 22 38.028 -6.851 -0.507 1.00 0.00 H new ATOM 0 HA ILE A 22 36.708 -4.357 0.271 1.00 0.00 H new ATOM 0 HB ILE A 22 36.076 -6.571 -1.758 1.00 0.00 H new ATOM 0 HG12 ILE A 22 38.416 -5.719 -1.962 1.00 0.00 H new ATOM 0 HG13 ILE A 22 37.437 -5.276 -3.346 1.00 0.00 H new ATOM 0 HG21 ILE A 22 34.966 -4.746 -3.011 1.00 0.00 H new ATOM 0 HG22 ILE A 22 34.237 -4.953 -1.401 1.00 0.00 H new ATOM 0 HG23 ILE A 22 35.361 -3.607 -1.702 1.00 0.00 H new ATOM 0 HD11 ILE A 22 38.760 -3.332 -2.551 1.00 0.00 H new ATOM 0 HD12 ILE A 22 37.019 -3.025 -2.348 1.00 0.00 H new ATOM 0 HD13 ILE A 22 38.013 -3.475 -0.942 1.00 0.00 H new ATOM 381 N GLU A 23 34.965 -7.130 0.576 1.00 0.00 N ATOM 382 CA GLU A 23 33.804 -7.678 1.321 1.00 0.00 C ATOM 383 C GLU A 23 34.070 -7.558 2.823 1.00 0.00 C ATOM 384 O GLU A 23 33.169 -7.337 3.613 1.00 0.00 O ATOM 385 CB GLU A 23 33.712 -9.134 0.856 1.00 0.00 C ATOM 386 CG GLU A 23 32.509 -9.812 1.501 1.00 0.00 C ATOM 387 CD GLU A 23 32.986 -10.916 2.446 1.00 0.00 C ATOM 388 OE1 GLU A 23 34.022 -10.735 3.064 1.00 0.00 O ATOM 389 OE2 GLU A 23 32.306 -11.926 2.537 1.00 0.00 O ATOM 0 H GLU A 23 35.418 -7.782 -0.064 1.00 0.00 H new ATOM 0 HA GLU A 23 32.867 -7.152 1.137 1.00 0.00 H new ATOM 0 HB2 GLU A 23 33.623 -9.173 -0.230 1.00 0.00 H new ATOM 0 HB3 GLU A 23 34.625 -9.667 1.120 1.00 0.00 H new ATOM 0 HG2 GLU A 23 31.918 -9.080 2.051 1.00 0.00 H new ATOM 0 HG3 GLU A 23 31.861 -10.233 0.732 1.00 0.00 H new ATOM 396 N GLU A 24 35.308 -7.658 3.223 1.00 0.00 N ATOM 397 CA GLU A 24 35.624 -7.503 4.667 1.00 0.00 C ATOM 398 C GLU A 24 35.224 -6.093 5.096 1.00 0.00 C ATOM 399 O GLU A 24 34.684 -5.877 6.166 1.00 0.00 O ATOM 400 CB GLU A 24 37.138 -7.699 4.771 1.00 0.00 C ATOM 401 CG GLU A 24 37.584 -7.476 6.218 1.00 0.00 C ATOM 402 CD GLU A 24 37.648 -8.820 6.945 1.00 0.00 C ATOM 403 OE1 GLU A 24 36.920 -9.718 6.555 1.00 0.00 O ATOM 404 OE2 GLU A 24 38.424 -8.929 7.880 1.00 0.00 O ATOM 0 H GLU A 24 36.108 -7.839 2.616 1.00 0.00 H new ATOM 0 HA GLU A 24 35.096 -8.211 5.305 1.00 0.00 H new ATOM 0 HB2 GLU A 24 37.408 -8.704 4.447 1.00 0.00 H new ATOM 0 HB3 GLU A 24 37.652 -7.002 4.109 1.00 0.00 H new ATOM 0 HG2 GLU A 24 38.561 -6.993 6.238 1.00 0.00 H new ATOM 0 HG3 GLU A 24 36.888 -6.809 6.726 1.00 0.00 H new ATOM 411 N LEU A 25 35.468 -5.132 4.248 1.00 0.00 N ATOM 412 CA LEU A 25 35.088 -3.732 4.577 1.00 0.00 C ATOM 413 C LEU A 25 33.565 -3.612 4.599 1.00 0.00 C ATOM 414 O LEU A 25 33.011 -2.825 5.334 1.00 0.00 O ATOM 415 CB LEU A 25 35.672 -2.865 3.457 1.00 0.00 C ATOM 416 CG LEU A 25 36.456 -1.686 4.056 1.00 0.00 C ATOM 417 CD1 LEU A 25 36.803 -0.692 2.945 1.00 0.00 C ATOM 418 CD2 LEU A 25 35.611 -0.974 5.121 1.00 0.00 C ATOM 0 H LEU A 25 35.915 -5.258 3.340 1.00 0.00 H new ATOM 0 HA LEU A 25 35.463 -3.423 5.553 1.00 0.00 H new ATOM 0 HB2 LEU A 25 36.328 -3.465 2.826 1.00 0.00 H new ATOM 0 HB3 LEU A 25 34.870 -2.492 2.819 1.00 0.00 H new ATOM 0 HG LEU A 25 37.368 -2.065 4.517 1.00 0.00 H new ATOM 0 HD11 LEU A 25 37.359 0.145 3.367 1.00 0.00 H new ATOM 0 HD12 LEU A 25 37.412 -1.189 2.190 1.00 0.00 H new ATOM 0 HD13 LEU A 25 35.885 -0.324 2.486 1.00 0.00 H new ATOM 0 HD21 LEU A 25 36.177 -0.141 5.538 1.00 0.00 H new ATOM 0 HD22 LEU A 25 34.694 -0.598 4.667 1.00 0.00 H new ATOM 0 HD23 LEU A 25 35.361 -1.676 5.916 1.00 0.00 H new ATOM 430 N HIS A 26 32.883 -4.396 3.804 1.00 0.00 N ATOM 431 CA HIS A 26 31.394 -4.330 3.801 1.00 0.00 C ATOM 432 C HIS A 26 30.882 -4.708 5.190 1.00 0.00 C ATOM 433 O HIS A 26 29.907 -4.170 5.671 1.00 0.00 O ATOM 434 CB HIS A 26 30.935 -5.336 2.744 1.00 0.00 C ATOM 435 CG HIS A 26 29.439 -5.470 2.805 1.00 0.00 C ATOM 436 ND1 HIS A 26 28.584 -4.454 2.410 1.00 0.00 N ATOM 437 CD2 HIS A 26 28.637 -6.491 3.234 1.00 0.00 C ATOM 438 CE1 HIS A 26 27.325 -4.886 2.612 1.00 0.00 C ATOM 439 NE2 HIS A 26 27.301 -6.123 3.113 1.00 0.00 N ATOM 0 H HIS A 26 33.291 -5.075 3.161 1.00 0.00 H new ATOM 0 HA HIS A 26 31.013 -3.335 3.570 1.00 0.00 H new ATOM 0 HB2 HIS A 26 31.242 -5.005 1.752 1.00 0.00 H new ATOM 0 HB3 HIS A 26 31.406 -6.304 2.917 1.00 0.00 H new ATOM 0 HD1 HIS A 26 28.858 -3.546 2.035 1.00 0.00 H new ATOM 0 HD2 HIS A 26 28.988 -7.441 3.610 1.00 0.00 H new ATOM 0 HE1 HIS A 26 26.442 -4.303 2.395 1.00 0.00 H new ATOM 447 N LYS A 27 31.546 -5.613 5.851 1.00 0.00 N ATOM 448 CA LYS A 27 31.102 -5.982 7.222 1.00 0.00 C ATOM 449 C LYS A 27 31.371 -4.793 8.148 1.00 0.00 C ATOM 450 O LYS A 27 30.542 -4.412 8.954 1.00 0.00 O ATOM 451 CB LYS A 27 31.957 -7.188 7.616 1.00 0.00 C ATOM 452 CG LYS A 27 31.787 -8.297 6.575 1.00 0.00 C ATOM 453 CD LYS A 27 31.574 -9.634 7.287 1.00 0.00 C ATOM 454 CE LYS A 27 31.964 -10.779 6.351 1.00 0.00 C ATOM 455 NZ LYS A 27 30.936 -11.833 6.586 1.00 0.00 N ATOM 0 H LYS A 27 32.368 -6.108 5.506 1.00 0.00 H new ATOM 0 HA LYS A 27 30.041 -6.225 7.283 1.00 0.00 H new ATOM 0 HB2 LYS A 27 33.005 -6.897 7.685 1.00 0.00 H new ATOM 0 HB3 LYS A 27 31.661 -7.551 8.601 1.00 0.00 H new ATOM 0 HG2 LYS A 27 30.937 -8.077 5.929 1.00 0.00 H new ATOM 0 HG3 LYS A 27 32.668 -8.349 5.936 1.00 0.00 H new ATOM 0 HD2 LYS A 27 32.174 -9.673 8.196 1.00 0.00 H new ATOM 0 HD3 LYS A 27 30.531 -9.736 7.588 1.00 0.00 H new ATOM 0 HE2 LYS A 27 31.967 -10.455 5.310 1.00 0.00 H new ATOM 0 HE3 LYS A 27 32.966 -11.147 6.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 31.135 -12.654 5.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 30.961 -12.126 7.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 29.994 -11.455 6.360 1.00 0.00 H new ATOM 469 N LYS A 28 32.524 -4.188 8.017 1.00 0.00 N ATOM 470 CA LYS A 28 32.847 -3.006 8.866 1.00 0.00 C ATOM 471 C LYS A 28 31.861 -1.874 8.567 1.00 0.00 C ATOM 472 O LYS A 28 31.628 -1.005 9.384 1.00 0.00 O ATOM 473 CB LYS A 28 34.266 -2.603 8.466 1.00 0.00 C ATOM 474 CG LYS A 28 35.210 -3.790 8.666 1.00 0.00 C ATOM 475 CD LYS A 28 36.138 -3.509 9.849 1.00 0.00 C ATOM 476 CE LYS A 28 37.522 -3.115 9.330 1.00 0.00 C ATOM 477 NZ LYS A 28 38.479 -3.700 10.311 1.00 0.00 N ATOM 0 H LYS A 28 33.254 -4.462 7.359 1.00 0.00 H new ATOM 0 HA LYS A 28 32.777 -3.224 9.932 1.00 0.00 H new ATOM 0 HB2 LYS A 28 34.284 -2.282 7.425 1.00 0.00 H new ATOM 0 HB3 LYS A 28 34.598 -1.756 9.066 1.00 0.00 H new ATOM 0 HG2 LYS A 28 34.636 -4.698 8.848 1.00 0.00 H new ATOM 0 HG3 LYS A 28 35.796 -3.959 7.762 1.00 0.00 H new ATOM 0 HD2 LYS A 28 35.727 -2.709 10.465 1.00 0.00 H new ATOM 0 HD3 LYS A 28 36.214 -4.392 10.483 1.00 0.00 H new ATOM 0 HE2 LYS A 28 37.695 -3.507 8.328 1.00 0.00 H new ATOM 0 HE3 LYS A 28 37.629 -2.032 9.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 39.452 -3.473 10.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 38.295 -3.303 11.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 38.359 -4.733 10.340 1.00 0.00 H new ATOM 491 N PHE A 29 31.265 -1.891 7.404 1.00 0.00 N ATOM 492 CA PHE A 29 30.277 -0.834 7.049 1.00 0.00 C ATOM 493 C PHE A 29 29.009 -1.053 7.864 1.00 0.00 C ATOM 494 O PHE A 29 28.555 -0.179 8.573 1.00 0.00 O ATOM 495 CB PHE A 29 29.998 -1.027 5.554 1.00 0.00 C ATOM 496 CG PHE A 29 31.166 -0.547 4.698 1.00 0.00 C ATOM 497 CD1 PHE A 29 32.225 0.226 5.250 1.00 0.00 C ATOM 498 CD2 PHE A 29 31.190 -0.877 3.322 1.00 0.00 C ATOM 499 CE1 PHE A 29 33.289 0.658 4.428 1.00 0.00 C ATOM 500 CE2 PHE A 29 32.257 -0.442 2.505 1.00 0.00 C ATOM 501 CZ PHE A 29 33.305 0.324 3.057 1.00 0.00 C ATOM 0 H PHE A 29 31.422 -2.595 6.683 1.00 0.00 H new ATOM 0 HA PHE A 29 30.638 0.173 7.257 1.00 0.00 H new ATOM 0 HB2 PHE A 29 29.807 -2.081 5.352 1.00 0.00 H new ATOM 0 HB3 PHE A 29 29.096 -0.481 5.278 1.00 0.00 H new ATOM 0 HD1 PHE A 29 32.215 0.483 6.299 1.00 0.00 H new ATOM 0 HD2 PHE A 29 30.390 -1.463 2.895 1.00 0.00 H new ATOM 0 HE1 PHE A 29 34.092 1.245 4.849 1.00 0.00 H new ATOM 0 HE2 PHE A 29 32.270 -0.696 1.455 1.00 0.00 H new ATOM 0 HZ PHE A 29 34.120 0.655 2.430 1.00 0.00 H new ATOM 511 N HIS A 30 28.449 -2.226 7.780 1.00 0.00 N ATOM 512 CA HIS A 30 27.216 -2.526 8.557 1.00 0.00 C ATOM 513 C HIS A 30 27.462 -2.264 10.044 1.00 0.00 C ATOM 514 O HIS A 30 26.545 -2.014 10.801 1.00 0.00 O ATOM 515 CB HIS A 30 26.957 -4.013 8.309 1.00 0.00 C ATOM 516 CG HIS A 30 25.520 -4.331 8.622 1.00 0.00 C ATOM 517 ND1 HIS A 30 25.043 -5.632 8.662 1.00 0.00 N ATOM 518 CD2 HIS A 30 24.445 -3.528 8.913 1.00 0.00 C ATOM 519 CE1 HIS A 30 23.734 -5.574 8.966 1.00 0.00 C ATOM 520 NE2 HIS A 30 23.318 -4.315 9.130 1.00 0.00 N ATOM 0 H HIS A 30 28.794 -2.994 7.204 1.00 0.00 H new ATOM 0 HA HIS A 30 26.369 -1.907 8.260 1.00 0.00 H new ATOM 0 HB2 HIS A 30 27.178 -4.264 7.272 1.00 0.00 H new ATOM 0 HB3 HIS A 30 27.618 -4.617 8.931 1.00 0.00 H new ATOM 0 HD2 HIS A 30 24.470 -2.450 8.966 1.00 0.00 H new ATOM 0 HE1 HIS A 30 23.097 -6.440 9.065 1.00 0.00 H new ATOM 0 HE2 HIS A 30 22.377 -3.999 9.364 1.00 0.00 H new ATOM 528 N GLU A 31 28.694 -2.327 10.468 1.00 0.00 N ATOM 529 CA GLU A 31 29.001 -2.090 11.908 1.00 0.00 C ATOM 530 C GLU A 31 29.069 -0.589 12.219 1.00 0.00 C ATOM 531 O GLU A 31 28.656 -0.151 13.274 1.00 0.00 O ATOM 532 CB GLU A 31 30.365 -2.743 12.130 1.00 0.00 C ATOM 533 CG GLU A 31 30.187 -4.255 12.284 1.00 0.00 C ATOM 534 CD GLU A 31 31.123 -4.769 13.380 1.00 0.00 C ATOM 535 OE1 GLU A 31 31.252 -4.092 14.387 1.00 0.00 O ATOM 536 OE2 GLU A 31 31.696 -5.829 13.192 1.00 0.00 O ATOM 0 H GLU A 31 29.502 -2.532 9.880 1.00 0.00 H new ATOM 0 HA GLU A 31 28.231 -2.503 12.559 1.00 0.00 H new ATOM 0 HB2 GLU A 31 31.025 -2.527 11.289 1.00 0.00 H new ATOM 0 HB3 GLU A 31 30.838 -2.329 13.021 1.00 0.00 H new ATOM 0 HG2 GLU A 31 29.152 -4.486 12.536 1.00 0.00 H new ATOM 0 HG3 GLU A 31 30.405 -4.756 11.341 1.00 0.00 H new ATOM 543 N LEU A 32 29.598 0.203 11.324 1.00 0.00 N ATOM 544 CA LEU A 32 29.697 1.666 11.599 1.00 0.00 C ATOM 545 C LEU A 32 28.380 2.388 11.250 1.00 0.00 C ATOM 546 O LEU A 32 28.230 3.567 11.503 1.00 0.00 O ATOM 547 CB LEU A 32 30.881 2.152 10.733 1.00 0.00 C ATOM 548 CG LEU A 32 30.424 2.555 9.322 1.00 0.00 C ATOM 549 CD1 LEU A 32 30.237 4.073 9.259 1.00 0.00 C ATOM 550 CD2 LEU A 32 31.481 2.142 8.297 1.00 0.00 C ATOM 0 H LEU A 32 29.964 -0.097 10.420 1.00 0.00 H new ATOM 0 HA LEU A 32 29.865 1.881 12.654 1.00 0.00 H new ATOM 0 HB2 LEU A 32 31.361 3.002 11.217 1.00 0.00 H new ATOM 0 HB3 LEU A 32 31.629 1.362 10.662 1.00 0.00 H new ATOM 0 HG LEU A 32 29.482 2.055 9.097 1.00 0.00 H new ATOM 0 HD11 LEU A 32 29.913 4.358 8.258 1.00 0.00 H new ATOM 0 HD12 LEU A 32 29.483 4.377 9.985 1.00 0.00 H new ATOM 0 HD13 LEU A 32 31.182 4.566 9.489 1.00 0.00 H new ATOM 0 HD21 LEU A 32 31.152 2.430 7.299 1.00 0.00 H new ATOM 0 HD22 LEU A 32 32.424 2.639 8.526 1.00 0.00 H new ATOM 0 HD23 LEU A 32 31.622 1.062 8.335 1.00 0.00 H new ATOM 562 N ILE A 33 27.431 1.700 10.670 1.00 0.00 N ATOM 563 CA ILE A 33 26.143 2.374 10.311 1.00 0.00 C ATOM 564 C ILE A 33 24.952 1.662 10.971 1.00 0.00 C ATOM 565 O ILE A 33 23.844 2.159 10.967 1.00 0.00 O ATOM 566 CB ILE A 33 26.060 2.294 8.778 1.00 0.00 C ATOM 567 CG1 ILE A 33 25.808 0.835 8.348 1.00 0.00 C ATOM 568 CG2 ILE A 33 27.379 2.817 8.191 1.00 0.00 C ATOM 569 CD1 ILE A 33 26.015 0.655 6.836 1.00 0.00 C ATOM 0 H ILE A 33 27.488 0.710 10.430 1.00 0.00 H new ATOM 0 HA ILE A 33 26.110 3.406 10.661 1.00 0.00 H new ATOM 0 HB ILE A 33 25.235 2.903 8.408 1.00 0.00 H new ATOM 0 HG12 ILE A 33 26.482 0.172 8.891 1.00 0.00 H new ATOM 0 HG13 ILE A 33 24.792 0.545 8.615 1.00 0.00 H new ATOM 0 HG21 ILE A 33 27.338 2.768 7.103 1.00 0.00 H new ATOM 0 HG22 ILE A 33 27.531 3.851 8.502 1.00 0.00 H new ATOM 0 HG23 ILE A 33 28.206 2.205 8.551 1.00 0.00 H new ATOM 0 HD11 ILE A 33 25.830 -0.384 6.565 1.00 0.00 H new ATOM 0 HD12 ILE A 33 25.323 1.300 6.295 1.00 0.00 H new ATOM 0 HD13 ILE A 33 27.039 0.921 6.575 1.00 0.00 H new ATOM 581 N LYS A 34 25.170 0.504 11.537 1.00 0.00 N ATOM 582 CA LYS A 34 24.047 -0.229 12.193 1.00 0.00 C ATOM 583 C LYS A 34 23.316 0.688 13.178 1.00 0.00 C ATOM 584 O LYS A 34 23.914 1.263 14.066 1.00 0.00 O ATOM 585 CB LYS A 34 24.712 -1.389 12.934 1.00 0.00 C ATOM 586 CG LYS A 34 24.124 -2.713 12.440 1.00 0.00 C ATOM 587 CD LYS A 34 22.736 -2.913 13.051 1.00 0.00 C ATOM 588 CE LYS A 34 22.835 -3.879 14.233 1.00 0.00 C ATOM 589 NZ LYS A 34 21.710 -4.836 14.038 1.00 0.00 N ATOM 0 H LYS A 34 26.075 0.035 11.573 1.00 0.00 H new ATOM 0 HA LYS A 34 23.305 -0.575 11.473 1.00 0.00 H new ATOM 0 HB2 LYS A 34 25.789 -1.372 12.767 1.00 0.00 H new ATOM 0 HB3 LYS A 34 24.555 -1.287 14.008 1.00 0.00 H new ATOM 0 HG2 LYS A 34 24.057 -2.710 11.352 1.00 0.00 H new ATOM 0 HG3 LYS A 34 24.778 -3.540 12.717 1.00 0.00 H new ATOM 0 HD2 LYS A 34 22.331 -1.957 13.382 1.00 0.00 H new ATOM 0 HD3 LYS A 34 22.050 -3.307 12.301 1.00 0.00 H new ATOM 0 HE2 LYS A 34 23.795 -4.394 14.243 1.00 0.00 H new ATOM 0 HE3 LYS A 34 22.746 -3.352 15.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 21.709 -5.533 14.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 20.809 -4.317 14.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 21.826 -5.327 13.129 1.00 0.00 H new ATOM 603 N GLY A 35 22.027 0.828 13.028 1.00 0.00 N ATOM 604 CA GLY A 35 21.260 1.707 13.955 1.00 0.00 C ATOM 605 C GLY A 35 20.486 2.749 13.145 1.00 0.00 C ATOM 606 O GLY A 35 20.719 3.927 13.357 1.00 0.00 O ATOM 607 OXT GLY A 35 19.675 2.351 12.326 1.00 0.00 O ATOM 0 H GLY A 35 21.472 0.372 12.304 1.00 0.00 H new ATOM 0 HA2 GLY A 35 20.571 1.110 14.553 1.00 0.00 H new ATOM 0 HA3 GLY A 35 21.939 2.201 14.650 1.00 0.00 H new TER 611 GLY A 35 ATOM 612 N GLY B 1 46.660 -0.614 -1.269 1.00 0.00 N ATOM 613 CA GLY B 1 45.697 0.316 -0.614 1.00 0.00 C ATOM 614 C GLY B 1 44.818 0.974 -1.680 1.00 0.00 C ATOM 615 O GLY B 1 44.988 2.131 -2.010 1.00 0.00 O ATOM 0 H1 GLY B 1 47.258 -1.061 -0.545 1.00 0.00 H new ATOM 0 H2 GLY B 1 46.136 -1.348 -1.787 1.00 0.00 H new ATOM 0 H3 GLY B 1 47.259 -0.083 -1.932 1.00 0.00 H new ATOM 0 HA2 GLY B 1 45.077 -0.228 0.099 1.00 0.00 H new ATOM 0 HA3 GLY B 1 46.236 1.078 -0.051 1.00 0.00 H new ATOM 621 N GLU B 2 43.878 0.247 -2.219 1.00 0.00 N ATOM 622 CA GLU B 2 42.988 0.833 -3.262 1.00 0.00 C ATOM 623 C GLU B 2 41.554 0.938 -2.735 1.00 0.00 C ATOM 624 O GLU B 2 40.792 1.790 -3.146 1.00 0.00 O ATOM 625 CB GLU B 2 43.057 -0.144 -4.436 1.00 0.00 C ATOM 626 CG GLU B 2 43.855 0.487 -5.579 1.00 0.00 C ATOM 627 CD GLU B 2 42.975 1.497 -6.318 1.00 0.00 C ATOM 628 OE1 GLU B 2 41.854 1.146 -6.648 1.00 0.00 O ATOM 629 OE2 GLU B 2 43.437 2.603 -6.543 1.00 0.00 O ATOM 0 H GLU B 2 43.688 -0.727 -1.983 1.00 0.00 H new ATOM 0 HA GLU B 2 43.295 1.838 -3.550 1.00 0.00 H new ATOM 0 HB2 GLU B 2 43.527 -1.075 -4.121 1.00 0.00 H new ATOM 0 HB3 GLU B 2 42.051 -0.394 -4.775 1.00 0.00 H new ATOM 0 HG2 GLU B 2 44.744 0.981 -5.187 1.00 0.00 H new ATOM 0 HG3 GLU B 2 44.198 -0.285 -6.268 1.00 0.00 H new ATOM 636 N VAL B 3 41.183 0.077 -1.826 1.00 0.00 N ATOM 637 CA VAL B 3 39.798 0.128 -1.273 1.00 0.00 C ATOM 638 C VAL B 3 39.654 1.302 -0.301 1.00 0.00 C ATOM 639 O VAL B 3 38.561 1.743 -0.004 1.00 0.00 O ATOM 640 CB VAL B 3 39.616 -1.200 -0.537 1.00 0.00 C ATOM 641 CG1 VAL B 3 40.692 -1.336 0.543 1.00 0.00 C ATOM 642 CG2 VAL B 3 38.232 -1.234 0.116 1.00 0.00 C ATOM 0 H VAL B 3 41.777 -0.658 -1.443 1.00 0.00 H new ATOM 0 HA VAL B 3 39.050 0.270 -2.053 1.00 0.00 H new ATOM 0 HB VAL B 3 39.705 -2.024 -1.245 1.00 0.00 H new ATOM 0 HG11 VAL B 3 40.563 -2.282 1.068 1.00 0.00 H new ATOM 0 HG12 VAL B 3 41.678 -1.310 0.079 1.00 0.00 H new ATOM 0 HG13 VAL B 3 40.602 -0.513 1.252 1.00 0.00 H new ATOM 0 HG21 VAL B 3 38.101 -2.180 0.641 1.00 0.00 H new ATOM 0 HG22 VAL B 3 38.144 -0.410 0.825 1.00 0.00 H new ATOM 0 HG23 VAL B 3 37.465 -1.136 -0.652 1.00 0.00 H new ATOM 652 N GLU B 4 40.747 1.812 0.196 1.00 0.00 N ATOM 653 CA GLU B 4 40.669 2.957 1.149 1.00 0.00 C ATOM 654 C GLU B 4 39.846 4.099 0.546 1.00 0.00 C ATOM 655 O GLU B 4 39.329 4.941 1.252 1.00 0.00 O ATOM 656 CB GLU B 4 42.118 3.396 1.359 1.00 0.00 C ATOM 657 CG GLU B 4 42.458 3.336 2.849 1.00 0.00 C ATOM 658 CD GLU B 4 43.848 3.933 3.079 1.00 0.00 C ATOM 659 OE1 GLU B 4 44.139 4.954 2.479 1.00 0.00 O ATOM 660 OE2 GLU B 4 44.598 3.357 3.850 1.00 0.00 O ATOM 0 H GLU B 4 41.690 1.486 -0.016 1.00 0.00 H new ATOM 0 HA GLU B 4 40.185 2.679 2.085 1.00 0.00 H new ATOM 0 HB2 GLU B 4 42.790 2.749 0.795 1.00 0.00 H new ATOM 0 HB3 GLU B 4 42.260 4.409 0.983 1.00 0.00 H new ATOM 0 HG2 GLU B 4 41.714 3.886 3.425 1.00 0.00 H new ATOM 0 HG3 GLU B 4 42.432 2.304 3.198 1.00 0.00 H new ATOM 667 N GLU B 5 39.723 4.138 -0.752 1.00 0.00 N ATOM 668 CA GLU B 5 38.935 5.229 -1.394 1.00 0.00 C ATOM 669 C GLU B 5 37.440 5.038 -1.121 1.00 0.00 C ATOM 670 O GLU B 5 36.768 5.931 -0.643 1.00 0.00 O ATOM 671 CB GLU B 5 39.226 5.101 -2.888 1.00 0.00 C ATOM 672 CG GLU B 5 40.048 6.305 -3.353 1.00 0.00 C ATOM 673 CD GLU B 5 40.030 6.376 -4.881 1.00 0.00 C ATOM 674 OE1 GLU B 5 38.957 6.248 -5.448 1.00 0.00 O ATOM 675 OE2 GLU B 5 41.090 6.558 -5.459 1.00 0.00 O ATOM 0 H GLU B 5 40.134 3.462 -1.396 1.00 0.00 H new ATOM 0 HA GLU B 5 39.204 6.212 -1.008 1.00 0.00 H new ATOM 0 HB2 GLU B 5 39.770 4.178 -3.085 1.00 0.00 H new ATOM 0 HB3 GLU B 5 38.292 5.047 -3.448 1.00 0.00 H new ATOM 0 HG2 GLU B 5 39.639 7.223 -2.931 1.00 0.00 H new ATOM 0 HG3 GLU B 5 41.074 6.219 -2.994 1.00 0.00 H new ATOM 682 N LEU B 6 36.913 3.883 -1.421 1.00 0.00 N ATOM 683 CA LEU B 6 35.460 3.641 -1.177 1.00 0.00 C ATOM 684 C LEU B 6 35.170 3.767 0.330 1.00 0.00 C ATOM 685 O LEU B 6 34.110 4.201 0.737 1.00 0.00 O ATOM 686 CB LEU B 6 35.199 2.223 -1.760 1.00 0.00 C ATOM 687 CG LEU B 6 34.653 1.227 -0.720 1.00 0.00 C ATOM 688 CD1 LEU B 6 33.176 1.513 -0.450 1.00 0.00 C ATOM 689 CD2 LEU B 6 34.781 -0.195 -1.273 1.00 0.00 C ATOM 0 H LEU B 6 37.423 3.097 -1.824 1.00 0.00 H new ATOM 0 HA LEU B 6 34.794 4.362 -1.652 1.00 0.00 H new ATOM 0 HB2 LEU B 6 34.490 2.302 -2.584 1.00 0.00 H new ATOM 0 HB3 LEU B 6 36.128 1.832 -2.175 1.00 0.00 H new ATOM 0 HG LEU B 6 35.221 1.329 0.205 1.00 0.00 H new ATOM 0 HD11 LEU B 6 32.797 0.805 0.287 1.00 0.00 H new ATOM 0 HD12 LEU B 6 33.066 2.528 -0.068 1.00 0.00 H new ATOM 0 HD13 LEU B 6 32.610 1.411 -1.376 1.00 0.00 H new ATOM 0 HD21 LEU B 6 34.396 -0.906 -0.542 1.00 0.00 H new ATOM 0 HD22 LEU B 6 34.209 -0.279 -2.197 1.00 0.00 H new ATOM 0 HD23 LEU B 6 35.830 -0.414 -1.475 1.00 0.00 H new ATOM 701 N GLU B 7 36.117 3.418 1.154 1.00 0.00 N ATOM 702 CA GLU B 7 35.906 3.536 2.627 1.00 0.00 C ATOM 703 C GLU B 7 35.730 5.004 3.016 1.00 0.00 C ATOM 704 O GLU B 7 34.791 5.374 3.700 1.00 0.00 O ATOM 705 CB GLU B 7 37.182 2.980 3.255 1.00 0.00 C ATOM 706 CG GLU B 7 36.934 2.690 4.737 1.00 0.00 C ATOM 707 CD GLU B 7 38.219 2.157 5.375 1.00 0.00 C ATOM 708 OE1 GLU B 7 39.043 1.627 4.647 1.00 0.00 O ATOM 709 OE2 GLU B 7 38.357 2.289 6.580 1.00 0.00 O ATOM 0 H GLU B 7 37.028 3.056 0.874 1.00 0.00 H new ATOM 0 HA GLU B 7 35.016 3.002 2.959 1.00 0.00 H new ATOM 0 HB2 GLU B 7 37.486 2.068 2.741 1.00 0.00 H new ATOM 0 HB3 GLU B 7 37.997 3.696 3.144 1.00 0.00 H new ATOM 0 HG2 GLU B 7 36.612 3.598 5.247 1.00 0.00 H new ATOM 0 HG3 GLU B 7 36.131 1.961 4.846 1.00 0.00 H new ATOM 716 N LYS B 8 36.634 5.840 2.589 1.00 0.00 N ATOM 717 CA LYS B 8 36.537 7.287 2.929 1.00 0.00 C ATOM 718 C LYS B 8 35.204 7.850 2.450 1.00 0.00 C ATOM 719 O LYS B 8 34.471 8.440 3.208 1.00 0.00 O ATOM 720 CB LYS B 8 37.701 7.954 2.197 1.00 0.00 C ATOM 721 CG LYS B 8 38.689 8.522 3.218 1.00 0.00 C ATOM 722 CD LYS B 8 39.891 7.583 3.341 1.00 0.00 C ATOM 723 CE LYS B 8 40.142 7.268 4.817 1.00 0.00 C ATOM 724 NZ LYS B 8 39.308 6.065 5.096 1.00 0.00 N ATOM 0 H LYS B 8 37.439 5.583 2.017 1.00 0.00 H new ATOM 0 HA LYS B 8 36.587 7.461 4.004 1.00 0.00 H new ATOM 0 HB2 LYS B 8 38.202 7.231 1.554 1.00 0.00 H new ATOM 0 HB3 LYS B 8 37.330 8.751 1.552 1.00 0.00 H new ATOM 0 HG2 LYS B 8 39.019 9.514 2.908 1.00 0.00 H new ATOM 0 HG3 LYS B 8 38.202 8.636 4.187 1.00 0.00 H new ATOM 0 HD2 LYS B 8 39.705 6.662 2.788 1.00 0.00 H new ATOM 0 HD3 LYS B 8 40.774 8.046 2.901 1.00 0.00 H new ATOM 0 HE2 LYS B 8 41.197 7.070 5.006 1.00 0.00 H new ATOM 0 HE3 LYS B 8 39.856 8.105 5.454 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 39.425 5.785 6.091 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 38.308 6.286 4.914 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 39.608 5.284 4.479 1.00 0.00 H new ATOM 738 N LYS B 9 34.877 7.660 1.206 1.00 0.00 N ATOM 739 CA LYS B 9 33.573 8.177 0.699 1.00 0.00 C ATOM 740 C LYS B 9 32.441 7.598 1.546 1.00 0.00 C ATOM 741 O LYS B 9 31.366 8.156 1.642 1.00 0.00 O ATOM 742 CB LYS B 9 33.478 7.674 -0.741 1.00 0.00 C ATOM 743 CG LYS B 9 34.138 8.686 -1.679 1.00 0.00 C ATOM 744 CD LYS B 9 33.183 9.857 -1.916 1.00 0.00 C ATOM 745 CE LYS B 9 33.978 11.164 -1.954 1.00 0.00 C ATOM 746 NZ LYS B 9 34.454 11.279 -3.361 1.00 0.00 N ATOM 0 H LYS B 9 35.451 7.172 0.518 1.00 0.00 H new ATOM 0 HA LYS B 9 33.500 9.263 0.748 1.00 0.00 H new ATOM 0 HB2 LYS B 9 33.968 6.705 -0.832 1.00 0.00 H new ATOM 0 HB3 LYS B 9 32.434 7.531 -1.019 1.00 0.00 H new ATOM 0 HG2 LYS B 9 35.071 9.045 -1.245 1.00 0.00 H new ATOM 0 HG3 LYS B 9 34.389 8.210 -2.627 1.00 0.00 H new ATOM 0 HD2 LYS B 9 32.646 9.718 -2.854 1.00 0.00 H new ATOM 0 HD3 LYS B 9 32.435 9.897 -1.124 1.00 0.00 H new ATOM 0 HE2 LYS B 9 33.355 12.014 -1.676 1.00 0.00 H new ATOM 0 HE3 LYS B 9 34.814 11.139 -1.254 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 35.491 11.356 -3.371 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 34.164 10.435 -3.896 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 34.040 12.126 -3.800 1.00 0.00 H new ATOM 760 N PHE B 10 32.685 6.473 2.157 1.00 0.00 N ATOM 761 CA PHE B 10 31.645 5.827 3.000 1.00 0.00 C ATOM 762 C PHE B 10 31.309 6.682 4.228 1.00 0.00 C ATOM 763 O PHE B 10 30.209 7.185 4.363 1.00 0.00 O ATOM 764 CB PHE B 10 32.277 4.502 3.429 1.00 0.00 C ATOM 765 CG PHE B 10 31.199 3.470 3.608 1.00 0.00 C ATOM 766 CD1 PHE B 10 30.520 2.958 2.481 1.00 0.00 C ATOM 767 CD2 PHE B 10 30.869 3.015 4.903 1.00 0.00 C ATOM 768 CE1 PHE B 10 29.509 1.990 2.649 1.00 0.00 C ATOM 769 CE2 PHE B 10 29.858 2.046 5.071 1.00 0.00 C ATOM 770 CZ PHE B 10 29.179 1.533 3.943 1.00 0.00 C ATOM 0 H PHE B 10 33.571 5.969 2.107 1.00 0.00 H new ATOM 0 HA PHE B 10 30.707 5.695 2.461 1.00 0.00 H new ATOM 0 HB2 PHE B 10 32.994 4.169 2.679 1.00 0.00 H new ATOM 0 HB3 PHE B 10 32.828 4.634 4.360 1.00 0.00 H new ATOM 0 HD1 PHE B 10 30.775 3.308 1.491 1.00 0.00 H new ATOM 0 HD2 PHE B 10 31.390 3.408 5.764 1.00 0.00 H new ATOM 0 HE1 PHE B 10 28.987 1.598 1.788 1.00 0.00 H new ATOM 0 HE2 PHE B 10 29.603 1.697 6.061 1.00 0.00 H new ATOM 0 HZ PHE B 10 28.406 0.790 4.071 1.00 0.00 H new ATOM 780 N LYS B 11 32.235 6.839 5.136 1.00 0.00 N ATOM 781 CA LYS B 11 31.933 7.646 6.357 1.00 0.00 C ATOM 782 C LYS B 11 31.736 9.120 6.001 1.00 0.00 C ATOM 783 O LYS B 11 31.116 9.871 6.732 1.00 0.00 O ATOM 784 CB LYS B 11 33.133 7.472 7.291 1.00 0.00 C ATOM 785 CG LYS B 11 34.438 7.732 6.539 1.00 0.00 C ATOM 786 CD LYS B 11 35.143 6.397 6.306 1.00 0.00 C ATOM 787 CE LYS B 11 36.116 6.123 7.456 1.00 0.00 C ATOM 788 NZ LYS B 11 35.818 4.726 7.883 1.00 0.00 N ATOM 0 H LYS B 11 33.176 6.449 5.088 1.00 0.00 H new ATOM 0 HA LYS B 11 31.010 7.312 6.830 1.00 0.00 H new ATOM 0 HB2 LYS B 11 33.049 8.159 8.133 1.00 0.00 H new ATOM 0 HB3 LYS B 11 33.138 6.463 7.702 1.00 0.00 H new ATOM 0 HG2 LYS B 11 34.234 8.223 5.587 1.00 0.00 H new ATOM 0 HG3 LYS B 11 35.078 8.402 7.113 1.00 0.00 H new ATOM 0 HD2 LYS B 11 34.409 5.594 6.238 1.00 0.00 H new ATOM 0 HD3 LYS B 11 35.681 6.419 5.358 1.00 0.00 H new ATOM 0 HE2 LYS B 11 37.151 6.225 7.131 1.00 0.00 H new ATOM 0 HE3 LYS B 11 35.969 6.827 8.275 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 36.659 4.314 8.335 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 35.029 4.731 8.560 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 35.558 4.157 7.052 1.00 0.00 H new ATOM 802 N GLU B 12 32.248 9.537 4.883 1.00 0.00 N ATOM 803 CA GLU B 12 32.088 10.958 4.473 1.00 0.00 C ATOM 804 C GLU B 12 30.692 11.173 3.898 1.00 0.00 C ATOM 805 O GLU B 12 30.158 12.264 3.928 1.00 0.00 O ATOM 806 CB GLU B 12 33.152 11.186 3.399 1.00 0.00 C ATOM 807 CG GLU B 12 34.445 11.673 4.055 1.00 0.00 C ATOM 808 CD GLU B 12 34.527 13.198 3.952 1.00 0.00 C ATOM 809 OE1 GLU B 12 33.823 13.861 4.696 1.00 0.00 O ATOM 810 OE2 GLU B 12 35.293 13.676 3.132 1.00 0.00 O ATOM 0 H GLU B 12 32.773 8.954 4.231 1.00 0.00 H new ATOM 0 HA GLU B 12 32.204 11.649 5.308 1.00 0.00 H new ATOM 0 HB2 GLU B 12 33.335 10.261 2.852 1.00 0.00 H new ATOM 0 HB3 GLU B 12 32.801 11.921 2.674 1.00 0.00 H new ATOM 0 HG2 GLU B 12 34.473 11.367 5.101 1.00 0.00 H new ATOM 0 HG3 GLU B 12 35.307 11.218 3.567 1.00 0.00 H new ATOM 817 N LEU B 13 30.093 10.139 3.378 1.00 0.00 N ATOM 818 CA LEU B 13 28.729 10.291 2.809 1.00 0.00 C ATOM 819 C LEU B 13 27.695 10.284 3.936 1.00 0.00 C ATOM 820 O LEU B 13 26.730 11.022 3.908 1.00 0.00 O ATOM 821 CB LEU B 13 28.553 9.097 1.875 1.00 0.00 C ATOM 822 CG LEU B 13 28.942 9.518 0.457 1.00 0.00 C ATOM 823 CD1 LEU B 13 29.243 8.278 -0.383 1.00 0.00 C ATOM 824 CD2 LEU B 13 27.790 10.300 -0.179 1.00 0.00 C ATOM 0 H LEU B 13 30.488 9.200 3.323 1.00 0.00 H new ATOM 0 HA LEU B 13 28.595 11.230 2.273 1.00 0.00 H new ATOM 0 HB2 LEU B 13 29.175 8.265 2.205 1.00 0.00 H new ATOM 0 HB3 LEU B 13 27.520 8.751 1.896 1.00 0.00 H new ATOM 0 HG LEU B 13 29.830 10.149 0.499 1.00 0.00 H new ATOM 0 HD11 LEU B 13 29.520 8.581 -1.393 1.00 0.00 H new ATOM 0 HD12 LEU B 13 30.066 7.724 0.068 1.00 0.00 H new ATOM 0 HD13 LEU B 13 28.358 7.643 -0.425 1.00 0.00 H new ATOM 0 HD21 LEU B 13 28.068 10.600 -1.189 1.00 0.00 H new ATOM 0 HD22 LEU B 13 26.901 9.670 -0.219 1.00 0.00 H new ATOM 0 HD23 LEU B 13 27.580 11.188 0.418 1.00 0.00 H new ATOM 836 N TRP B 14 27.895 9.474 4.943 1.00 0.00 N ATOM 837 CA TRP B 14 26.923 9.456 6.076 1.00 0.00 C ATOM 838 C TRP B 14 26.962 10.801 6.794 1.00 0.00 C ATOM 839 O TRP B 14 25.944 11.394 7.092 1.00 0.00 O ATOM 840 CB TRP B 14 27.410 8.356 7.016 1.00 0.00 C ATOM 841 CG TRP B 14 26.478 7.193 6.952 1.00 0.00 C ATOM 842 CD1 TRP B 14 25.272 7.111 7.569 1.00 0.00 C ATOM 843 CD2 TRP B 14 26.659 5.946 6.242 1.00 0.00 C ATOM 844 NE1 TRP B 14 24.705 5.883 7.281 1.00 0.00 N ATOM 845 CE2 TRP B 14 25.518 5.127 6.466 1.00 0.00 C ATOM 846 CE3 TRP B 14 27.700 5.443 5.426 1.00 0.00 C ATOM 847 CZ2 TRP B 14 25.412 3.849 5.898 1.00 0.00 C ATOM 848 CZ3 TRP B 14 27.600 4.159 4.851 1.00 0.00 C ATOM 849 CH2 TRP B 14 26.457 3.362 5.086 1.00 0.00 C ATOM 0 H TRP B 14 28.681 8.830 5.030 1.00 0.00 H new ATOM 0 HA TRP B 14 25.901 9.278 5.740 1.00 0.00 H new ATOM 0 HB2 TRP B 14 28.416 8.044 6.736 1.00 0.00 H new ATOM 0 HB3 TRP B 14 27.466 8.734 8.037 1.00 0.00 H new ATOM 0 HD1 TRP B 14 24.828 7.879 8.184 1.00 0.00 H new ATOM 0 HE1 TRP B 14 23.797 5.575 7.629 1.00 0.00 H new ATOM 0 HE3 TRP B 14 28.577 6.046 5.242 1.00 0.00 H new ATOM 0 HZ2 TRP B 14 24.537 3.243 6.081 1.00 0.00 H new ATOM 0 HZ3 TRP B 14 28.399 3.784 4.229 1.00 0.00 H new ATOM 0 HH2 TRP B 14 26.384 2.380 4.644 1.00 0.00 H new ATOM 860 N LYS B 15 28.141 11.285 7.074 1.00 0.00 N ATOM 861 CA LYS B 15 28.268 12.591 7.772 1.00 0.00 C ATOM 862 C LYS B 15 28.696 13.669 6.773 1.00 0.00 C ATOM 863 O LYS B 15 29.852 14.036 6.691 1.00 0.00 O ATOM 864 CB LYS B 15 29.343 12.350 8.830 1.00 0.00 C ATOM 865 CG LYS B 15 29.678 13.664 9.543 1.00 0.00 C ATOM 866 CD LYS B 15 28.609 13.961 10.597 1.00 0.00 C ATOM 867 CE LYS B 15 29.277 14.498 11.864 1.00 0.00 C ATOM 868 NZ LYS B 15 28.836 15.919 11.958 1.00 0.00 N ATOM 0 H LYS B 15 29.024 10.828 6.847 1.00 0.00 H new ATOM 0 HA LYS B 15 27.335 12.936 8.218 1.00 0.00 H new ATOM 0 HB2 LYS B 15 28.995 11.612 9.553 1.00 0.00 H new ATOM 0 HB3 LYS B 15 30.239 11.941 8.364 1.00 0.00 H new ATOM 0 HG2 LYS B 15 30.659 13.595 10.014 1.00 0.00 H new ATOM 0 HG3 LYS B 15 29.728 14.479 8.821 1.00 0.00 H new ATOM 0 HD2 LYS B 15 27.896 14.690 10.212 1.00 0.00 H new ATOM 0 HD3 LYS B 15 28.047 13.056 10.825 1.00 0.00 H new ATOM 0 HE2 LYS B 15 28.971 13.930 12.743 1.00 0.00 H new ATOM 0 HE3 LYS B 15 30.363 14.425 11.800 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 29.254 16.357 12.804 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 29.147 16.436 11.111 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 27.799 15.957 12.025 1.00 0.00 H new ATOM 882 N GLY B 16 27.767 14.168 6.007 1.00 0.00 N ATOM 883 CA GLY B 16 28.099 15.214 4.999 1.00 0.00 C ATOM 884 C GLY B 16 26.912 15.366 4.041 1.00 0.00 C ATOM 885 O GLY B 16 26.001 16.128 4.300 1.00 0.00 O ATOM 0 H GLY B 16 26.785 13.894 6.036 1.00 0.00 H new ATOM 0 HA2 GLY B 16 28.310 16.162 5.493 1.00 0.00 H new ATOM 0 HA3 GLY B 16 28.997 14.936 4.447 1.00 0.00 H new ATOM 889 N PRO B 17 26.956 14.622 2.965 1.00 0.00 N ATOM 890 CA PRO B 17 25.862 14.664 1.970 1.00 0.00 C ATOM 891 C PRO B 17 24.676 13.841 2.484 1.00 0.00 C ATOM 892 O PRO B 17 24.551 13.604 3.669 1.00 0.00 O ATOM 893 CB PRO B 17 26.485 14.026 0.729 1.00 0.00 C ATOM 894 CG PRO B 17 27.577 13.140 1.245 1.00 0.00 C ATOM 895 CD PRO B 17 28.018 13.684 2.582 1.00 0.00 C ATOM 0 HA PRO B 17 25.482 15.666 1.770 1.00 0.00 H new ATOM 0 HB2 PRO B 17 25.746 13.453 0.168 1.00 0.00 H new ATOM 0 HB3 PRO B 17 26.880 14.784 0.053 1.00 0.00 H new ATOM 0 HG2 PRO B 17 27.221 12.115 1.348 1.00 0.00 H new ATOM 0 HG3 PRO B 17 28.414 13.118 0.547 1.00 0.00 H new ATOM 0 HD2 PRO B 17 28.128 12.887 3.318 1.00 0.00 H new ATOM 0 HD3 PRO B 17 28.983 14.186 2.508 1.00 0.00 H new ATOM 903 N ARG B 18 23.805 13.401 1.614 1.00 0.00 N ATOM 904 CA ARG B 18 22.636 12.590 2.072 1.00 0.00 C ATOM 905 C ARG B 18 23.104 11.463 3.008 1.00 0.00 C ATOM 906 O ARG B 18 24.286 11.247 3.188 1.00 0.00 O ATOM 907 CB ARG B 18 22.002 12.032 0.779 1.00 0.00 C ATOM 908 CG ARG B 18 22.741 10.773 0.288 1.00 0.00 C ATOM 909 CD ARG B 18 24.161 11.138 -0.154 1.00 0.00 C ATOM 910 NE ARG B 18 23.989 12.163 -1.228 1.00 0.00 N ATOM 911 CZ ARG B 18 23.349 11.863 -2.328 1.00 0.00 C ATOM 912 NH1 ARG B 18 23.604 10.744 -2.949 1.00 0.00 N ATOM 913 NH2 ARG B 18 22.453 12.684 -2.805 1.00 0.00 N ATOM 0 H ARG B 18 23.851 13.567 0.609 1.00 0.00 H new ATOM 0 HA ARG B 18 21.916 13.177 2.642 1.00 0.00 H new ATOM 0 HB2 ARG B 18 20.954 11.793 0.960 1.00 0.00 H new ATOM 0 HB3 ARG B 18 22.025 12.796 0.002 1.00 0.00 H new ATOM 0 HG2 ARG B 18 22.779 10.030 1.084 1.00 0.00 H new ATOM 0 HG3 ARG B 18 22.197 10.323 -0.542 1.00 0.00 H new ATOM 0 HD2 ARG B 18 24.742 11.534 0.678 1.00 0.00 H new ATOM 0 HD3 ARG B 18 24.694 10.263 -0.527 1.00 0.00 H new ATOM 0 HE ARG B 18 24.372 13.100 -1.102 1.00 0.00 H new ATOM 0 HH11 ARG B 18 24.303 10.102 -2.576 1.00 0.00 H new ATOM 0 HH12 ARG B 18 23.104 10.511 -3.807 1.00 0.00 H new ATOM 0 HH21 ARG B 18 22.253 13.559 -2.320 1.00 0.00 H new ATOM 0 HH22 ARG B 18 21.953 12.451 -3.663 1.00 0.00 H new ATOM 927 N ARG B 19 22.191 10.744 3.597 1.00 0.00 N ATOM 928 CA ARG B 19 22.601 9.639 4.508 1.00 0.00 C ATOM 929 C ARG B 19 21.683 8.428 4.324 1.00 0.00 C ATOM 930 O ARG B 19 22.127 7.299 4.314 1.00 0.00 O ATOM 931 CB ARG B 19 22.460 10.213 5.918 1.00 0.00 C ATOM 932 CG ARG B 19 22.930 9.176 6.940 1.00 0.00 C ATOM 933 CD ARG B 19 21.860 9.004 8.021 1.00 0.00 C ATOM 934 NE ARG B 19 22.191 10.026 9.054 1.00 0.00 N ATOM 935 CZ ARG B 19 21.291 10.384 9.929 1.00 0.00 C ATOM 936 NH1 ARG B 19 20.082 10.684 9.537 1.00 0.00 N ATOM 937 NH2 ARG B 19 21.599 10.441 11.196 1.00 0.00 N ATOM 0 H ARG B 19 21.185 10.872 3.489 1.00 0.00 H new ATOM 0 HA ARG B 19 23.616 9.297 4.308 1.00 0.00 H new ATOM 0 HB2 ARG B 19 23.050 11.125 6.012 1.00 0.00 H new ATOM 0 HB3 ARG B 19 21.422 10.484 6.110 1.00 0.00 H new ATOM 0 HG2 ARG B 19 23.120 8.223 6.446 1.00 0.00 H new ATOM 0 HG3 ARG B 19 23.870 9.494 7.391 1.00 0.00 H new ATOM 0 HD2 ARG B 19 20.860 9.161 7.616 1.00 0.00 H new ATOM 0 HD3 ARG B 19 21.880 7.998 8.440 1.00 0.00 H new ATOM 0 HE ARG B 19 23.120 10.446 9.077 1.00 0.00 H new ATOM 0 HH11 ARG B 19 19.841 10.639 8.547 1.00 0.00 H new ATOM 0 HH12 ARG B 19 19.379 10.964 10.221 1.00 0.00 H new ATOM 0 HH21 ARG B 19 22.543 10.206 11.502 1.00 0.00 H new ATOM 0 HH22 ARG B 19 20.896 10.721 11.880 1.00 0.00 H new ATOM 951 N GLY B 20 20.406 8.653 4.178 1.00 0.00 N ATOM 952 CA GLY B 20 19.468 7.510 3.996 1.00 0.00 C ATOM 953 C GLY B 20 19.794 6.787 2.687 1.00 0.00 C ATOM 954 O GLY B 20 19.632 5.588 2.572 1.00 0.00 O ATOM 0 H GLY B 20 19.973 9.576 4.177 1.00 0.00 H new ATOM 0 HA2 GLY B 20 19.551 6.820 4.836 1.00 0.00 H new ATOM 0 HA3 GLY B 20 18.439 7.869 3.979 1.00 0.00 H new ATOM 958 N GLU B 21 20.252 7.505 1.698 1.00 0.00 N ATOM 959 CA GLU B 21 20.588 6.857 0.398 1.00 0.00 C ATOM 960 C GLU B 21 21.895 6.068 0.521 1.00 0.00 C ATOM 961 O GLU B 21 22.087 5.060 -0.129 1.00 0.00 O ATOM 962 CB GLU B 21 20.749 8.012 -0.590 1.00 0.00 C ATOM 963 CG GLU B 21 19.555 8.031 -1.546 1.00 0.00 C ATOM 964 CD GLU B 21 19.101 9.475 -1.768 1.00 0.00 C ATOM 965 OE1 GLU B 21 19.958 10.321 -1.968 1.00 0.00 O ATOM 966 OE2 GLU B 21 17.905 9.711 -1.736 1.00 0.00 O ATOM 0 H GLU B 21 20.408 8.512 1.734 1.00 0.00 H new ATOM 0 HA GLU B 21 19.821 6.151 0.078 1.00 0.00 H new ATOM 0 HB2 GLU B 21 20.814 8.958 -0.053 1.00 0.00 H new ATOM 0 HB3 GLU B 21 21.677 7.899 -1.151 1.00 0.00 H new ATOM 0 HG2 GLU B 21 19.830 7.575 -2.497 1.00 0.00 H new ATOM 0 HG3 GLU B 21 18.737 7.441 -1.134 1.00 0.00 H new ATOM 973 N ILE B 22 22.792 6.518 1.355 1.00 0.00 N ATOM 974 CA ILE B 22 24.084 5.793 1.525 1.00 0.00 C ATOM 975 C ILE B 22 23.841 4.467 2.243 1.00 0.00 C ATOM 976 O ILE B 22 24.164 3.410 1.741 1.00 0.00 O ATOM 977 CB ILE B 22 24.947 6.719 2.381 1.00 0.00 C ATOM 978 CG1 ILE B 22 25.098 8.068 1.677 1.00 0.00 C ATOM 979 CG2 ILE B 22 26.326 6.088 2.588 1.00 0.00 C ATOM 980 CD1 ILE B 22 25.837 7.882 0.348 1.00 0.00 C ATOM 0 H ILE B 22 22.687 7.356 1.926 1.00 0.00 H new ATOM 0 HA ILE B 22 24.562 5.560 0.574 1.00 0.00 H new ATOM 0 HB ILE B 22 24.471 6.868 3.350 1.00 0.00 H new ATOM 0 HG12 ILE B 22 24.116 8.507 1.499 1.00 0.00 H new ATOM 0 HG13 ILE B 22 25.647 8.761 2.314 1.00 0.00 H new ATOM 0 HG21 ILE B 22 26.941 6.749 3.199 1.00 0.00 H new ATOM 0 HG22 ILE B 22 26.215 5.128 3.092 1.00 0.00 H new ATOM 0 HG23 ILE B 22 26.806 5.937 1.621 1.00 0.00 H new ATOM 0 HD11 ILE B 22 25.941 8.847 -0.148 1.00 0.00 H new ATOM 0 HD12 ILE B 22 26.825 7.462 0.537 1.00 0.00 H new ATOM 0 HD13 ILE B 22 25.271 7.204 -0.291 1.00 0.00 H new ATOM 992 N GLU B 23 23.265 4.515 3.411 1.00 0.00 N ATOM 993 CA GLU B 23 22.990 3.258 4.151 1.00 0.00 C ATOM 994 C GLU B 23 22.101 2.355 3.293 1.00 0.00 C ATOM 995 O GLU B 23 22.211 1.142 3.322 1.00 0.00 O ATOM 996 CB GLU B 23 22.292 3.721 5.432 1.00 0.00 C ATOM 997 CG GLU B 23 22.002 2.522 6.328 1.00 0.00 C ATOM 998 CD GLU B 23 20.489 2.328 6.454 1.00 0.00 C ATOM 999 OE1 GLU B 23 19.797 2.573 5.480 1.00 0.00 O ATOM 1000 OE2 GLU B 23 20.049 1.937 7.523 1.00 0.00 O ATOM 0 H GLU B 23 22.974 5.371 3.883 1.00 0.00 H new ATOM 0 HA GLU B 23 23.880 2.673 4.383 1.00 0.00 H new ATOM 0 HB2 GLU B 23 22.921 4.437 5.961 1.00 0.00 H new ATOM 0 HB3 GLU B 23 21.363 4.234 5.185 1.00 0.00 H new ATOM 0 HG2 GLU B 23 22.460 1.625 5.912 1.00 0.00 H new ATOM 0 HG3 GLU B 23 22.442 2.677 7.313 1.00 0.00 H new ATOM 1007 N GLU B 24 21.248 2.936 2.496 1.00 0.00 N ATOM 1008 CA GLU B 24 20.394 2.104 1.610 1.00 0.00 C ATOM 1009 C GLU B 24 21.303 1.333 0.655 1.00 0.00 C ATOM 1010 O GLU B 24 21.091 0.170 0.365 1.00 0.00 O ATOM 1011 CB GLU B 24 19.517 3.099 0.847 1.00 0.00 C ATOM 1012 CG GLU B 24 18.650 2.347 -0.164 1.00 0.00 C ATOM 1013 CD GLU B 24 17.283 2.053 0.457 1.00 0.00 C ATOM 1014 OE1 GLU B 24 17.216 1.950 1.671 1.00 0.00 O ATOM 1015 OE2 GLU B 24 16.327 1.935 -0.291 1.00 0.00 O ATOM 0 H GLU B 24 21.107 3.943 2.421 1.00 0.00 H new ATOM 0 HA GLU B 24 19.783 1.381 2.150 1.00 0.00 H new ATOM 0 HB2 GLU B 24 18.886 3.651 1.543 1.00 0.00 H new ATOM 0 HB3 GLU B 24 20.141 3.830 0.333 1.00 0.00 H new ATOM 0 HG2 GLU B 24 18.530 2.941 -1.070 1.00 0.00 H new ATOM 0 HG3 GLU B 24 19.137 1.416 -0.456 1.00 0.00 H new ATOM 1022 N LEU B 25 22.335 1.978 0.183 1.00 0.00 N ATOM 1023 CA LEU B 25 23.285 1.295 -0.735 1.00 0.00 C ATOM 1024 C LEU B 25 24.045 0.216 0.032 1.00 0.00 C ATOM 1025 O LEU B 25 24.425 -0.794 -0.519 1.00 0.00 O ATOM 1026 CB LEU B 25 24.251 2.381 -1.220 1.00 0.00 C ATOM 1027 CG LEU B 25 24.371 2.334 -2.752 1.00 0.00 C ATOM 1028 CD1 LEU B 25 25.529 3.230 -3.197 1.00 0.00 C ATOM 1029 CD2 LEU B 25 24.641 0.898 -3.218 1.00 0.00 C ATOM 0 H LEU B 25 22.560 2.950 0.395 1.00 0.00 H new ATOM 0 HA LEU B 25 22.776 0.815 -1.571 1.00 0.00 H new ATOM 0 HB2 LEU B 25 23.896 3.362 -0.905 1.00 0.00 H new ATOM 0 HB3 LEU B 25 25.231 2.236 -0.766 1.00 0.00 H new ATOM 0 HG LEU B 25 23.437 2.684 -3.191 1.00 0.00 H new ATOM 0 HD11 LEU B 25 25.617 3.199 -4.283 1.00 0.00 H new ATOM 0 HD12 LEU B 25 25.340 4.255 -2.878 1.00 0.00 H new ATOM 0 HD13 LEU B 25 26.457 2.876 -2.748 1.00 0.00 H new ATOM 0 HD21 LEU B 25 24.724 0.878 -4.305 1.00 0.00 H new ATOM 0 HD22 LEU B 25 25.571 0.541 -2.776 1.00 0.00 H new ATOM 0 HD23 LEU B 25 23.820 0.253 -2.905 1.00 0.00 H new ATOM 1041 N HIS B 26 24.260 0.416 1.307 1.00 0.00 N ATOM 1042 CA HIS B 26 24.982 -0.615 2.104 1.00 0.00 C ATOM 1043 C HIS B 26 24.166 -1.907 2.087 1.00 0.00 C ATOM 1044 O HIS B 26 24.705 -2.994 2.055 1.00 0.00 O ATOM 1045 CB HIS B 26 25.095 -0.045 3.519 1.00 0.00 C ATOM 1046 CG HIS B 26 25.641 -1.103 4.437 1.00 0.00 C ATOM 1047 ND1 HIS B 26 26.951 -1.548 4.364 1.00 0.00 N ATOM 1048 CD2 HIS B 26 25.054 -1.825 5.440 1.00 0.00 C ATOM 1049 CE1 HIS B 26 27.106 -2.502 5.301 1.00 0.00 C ATOM 1050 NE2 HIS B 26 25.978 -2.710 5.986 1.00 0.00 N ATOM 0 H HIS B 26 23.968 1.244 1.826 1.00 0.00 H new ATOM 0 HA HIS B 26 25.971 -0.845 1.707 1.00 0.00 H new ATOM 0 HB2 HIS B 26 25.748 0.827 3.521 1.00 0.00 H new ATOM 0 HB3 HIS B 26 24.118 0.288 3.869 1.00 0.00 H new ATOM 0 HD1 HIS B 26 27.667 -1.214 3.719 1.00 0.00 H new ATOM 0 HD2 HIS B 26 24.027 -1.723 5.760 1.00 0.00 H new ATOM 0 HE1 HIS B 26 28.029 -3.034 5.477 1.00 0.00 H new ATOM 1058 N LYS B 27 22.868 -1.799 2.082 1.00 0.00 N ATOM 1059 CA LYS B 27 22.037 -3.032 2.028 1.00 0.00 C ATOM 1060 C LYS B 27 22.209 -3.666 0.646 1.00 0.00 C ATOM 1061 O LYS B 27 22.391 -4.862 0.511 1.00 0.00 O ATOM 1062 CB LYS B 27 20.597 -2.562 2.239 1.00 0.00 C ATOM 1063 CG LYS B 27 20.500 -1.793 3.558 1.00 0.00 C ATOM 1064 CD LYS B 27 19.271 -2.268 4.336 1.00 0.00 C ATOM 1065 CE LYS B 27 18.836 -1.178 5.318 1.00 0.00 C ATOM 1066 NZ LYS B 27 18.441 -1.914 6.552 1.00 0.00 N ATOM 0 H LYS B 27 22.351 -0.920 2.113 1.00 0.00 H new ATOM 0 HA LYS B 27 22.315 -3.774 2.777 1.00 0.00 H new ATOM 0 HB2 LYS B 27 20.286 -1.925 1.411 1.00 0.00 H new ATOM 0 HB3 LYS B 27 19.922 -3.418 2.254 1.00 0.00 H new ATOM 0 HG2 LYS B 27 21.402 -1.950 4.150 1.00 0.00 H new ATOM 0 HG3 LYS B 27 20.429 -0.723 3.363 1.00 0.00 H new ATOM 0 HD2 LYS B 27 18.458 -2.498 3.647 1.00 0.00 H new ATOM 0 HD3 LYS B 27 19.501 -3.187 4.875 1.00 0.00 H new ATOM 0 HE2 LYS B 27 19.648 -0.478 5.517 1.00 0.00 H new ATOM 0 HE3 LYS B 27 18.004 -0.597 4.921 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 18.129 -1.236 7.276 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 17.663 -2.568 6.332 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 19.255 -2.453 6.910 1.00 0.00 H new ATOM 1080 N LYS B 28 22.178 -2.861 -0.385 1.00 0.00 N ATOM 1081 CA LYS B 28 22.365 -3.403 -1.762 1.00 0.00 C ATOM 1082 C LYS B 28 23.761 -4.022 -1.885 1.00 0.00 C ATOM 1083 O LYS B 28 24.001 -4.881 -2.708 1.00 0.00 O ATOM 1084 CB LYS B 28 22.228 -2.195 -2.689 1.00 0.00 C ATOM 1085 CG LYS B 28 20.871 -1.526 -2.460 1.00 0.00 C ATOM 1086 CD LYS B 28 19.973 -1.766 -3.676 1.00 0.00 C ATOM 1087 CE LYS B 28 19.915 -0.496 -4.527 1.00 0.00 C ATOM 1088 NZ LYS B 28 18.523 -0.455 -5.058 1.00 0.00 N ATOM 0 H LYS B 28 22.031 -1.853 -0.332 1.00 0.00 H new ATOM 0 HA LYS B 28 21.642 -4.181 -2.008 1.00 0.00 H new ATOM 0 HB2 LYS B 28 23.032 -1.484 -2.499 1.00 0.00 H new ATOM 0 HB3 LYS B 28 22.320 -2.509 -3.729 1.00 0.00 H new ATOM 0 HG2 LYS B 28 20.402 -1.929 -1.563 1.00 0.00 H new ATOM 0 HG3 LYS B 28 21.003 -0.456 -2.298 1.00 0.00 H new ATOM 0 HD2 LYS B 28 20.359 -2.596 -4.268 1.00 0.00 H new ATOM 0 HD3 LYS B 28 18.971 -2.045 -3.352 1.00 0.00 H new ATOM 0 HE2 LYS B 28 20.137 0.389 -3.931 1.00 0.00 H new ATOM 0 HE3 LYS B 28 20.646 -0.528 -5.335 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 18.403 0.389 -5.653 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 18.343 -1.307 -5.626 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 17.850 -0.418 -4.266 1.00 0.00 H new ATOM 1102 N PHE B 29 24.678 -3.599 -1.054 1.00 0.00 N ATOM 1103 CA PHE B 29 26.052 -4.170 -1.099 1.00 0.00 C ATOM 1104 C PHE B 29 26.012 -5.595 -0.563 1.00 0.00 C ATOM 1105 O PHE B 29 26.416 -6.530 -1.223 1.00 0.00 O ATOM 1106 CB PHE B 29 26.892 -3.273 -0.184 1.00 0.00 C ATOM 1107 CG PHE B 29 27.181 -1.923 -0.833 1.00 0.00 C ATOM 1108 CD1 PHE B 29 26.923 -1.689 -2.211 1.00 0.00 C ATOM 1109 CD2 PHE B 29 27.723 -0.884 -0.041 1.00 0.00 C ATOM 1110 CE1 PHE B 29 27.206 -0.429 -2.781 1.00 0.00 C ATOM 1111 CE2 PHE B 29 28.004 0.376 -0.616 1.00 0.00 C ATOM 1112 CZ PHE B 29 27.746 0.603 -1.985 1.00 0.00 C ATOM 0 H PHE B 29 24.532 -2.880 -0.345 1.00 0.00 H new ATOM 0 HA PHE B 29 26.465 -4.204 -2.107 1.00 0.00 H new ATOM 0 HB2 PHE B 29 26.366 -3.119 0.758 1.00 0.00 H new ATOM 0 HB3 PHE B 29 27.832 -3.772 0.053 1.00 0.00 H new ATOM 0 HD1 PHE B 29 26.510 -2.477 -2.823 1.00 0.00 H new ATOM 0 HD2 PHE B 29 27.923 -1.054 1.007 1.00 0.00 H new ATOM 0 HE1 PHE B 29 27.009 -0.255 -3.828 1.00 0.00 H new ATOM 0 HE2 PHE B 29 28.417 1.167 -0.007 1.00 0.00 H new ATOM 0 HZ PHE B 29 27.962 1.566 -2.423 1.00 0.00 H new ATOM 1122 N HIS B 30 25.506 -5.764 0.626 1.00 0.00 N ATOM 1123 CA HIS B 30 25.416 -7.126 1.216 1.00 0.00 C ATOM 1124 C HIS B 30 24.643 -8.051 0.274 1.00 0.00 C ATOM 1125 O HIS B 30 24.801 -9.256 0.302 1.00 0.00 O ATOM 1126 CB HIS B 30 24.649 -6.929 2.525 1.00 0.00 C ATOM 1127 CG HIS B 30 24.902 -8.099 3.435 1.00 0.00 C ATOM 1128 ND1 HIS B 30 24.199 -8.281 4.616 1.00 0.00 N ATOM 1129 CD2 HIS B 30 25.775 -9.155 3.352 1.00 0.00 C ATOM 1130 CE1 HIS B 30 24.657 -9.409 5.190 1.00 0.00 C ATOM 1131 NE2 HIS B 30 25.618 -9.982 4.461 1.00 0.00 N ATOM 0 H HIS B 30 25.149 -5.013 1.217 1.00 0.00 H new ATOM 0 HA HIS B 30 26.393 -7.581 1.378 1.00 0.00 H new ATOM 0 HB2 HIS B 30 24.964 -6.004 3.008 1.00 0.00 H new ATOM 0 HB3 HIS B 30 23.582 -6.836 2.323 1.00 0.00 H new ATOM 0 HD2 HIS B 30 26.477 -9.319 2.548 1.00 0.00 H new ATOM 0 HE1 HIS B 30 24.292 -9.803 6.127 1.00 0.00 H new ATOM 0 HE2 HIS B 30 26.127 -10.840 4.671 1.00 0.00 H new ATOM 1139 N GLU B 31 23.802 -7.496 -0.555 1.00 0.00 N ATOM 1140 CA GLU B 31 23.011 -8.342 -1.494 1.00 0.00 C ATOM 1141 C GLU B 31 23.838 -8.718 -2.731 1.00 0.00 C ATOM 1142 O GLU B 31 23.728 -9.812 -3.247 1.00 0.00 O ATOM 1143 CB GLU B 31 21.819 -7.473 -1.896 1.00 0.00 C ATOM 1144 CG GLU B 31 20.770 -7.498 -0.783 1.00 0.00 C ATOM 1145 CD GLU B 31 19.372 -7.567 -1.402 1.00 0.00 C ATOM 1146 OE1 GLU B 31 19.209 -8.294 -2.369 1.00 0.00 O ATOM 1147 OE2 GLU B 31 18.489 -6.892 -0.900 1.00 0.00 O ATOM 0 H GLU B 31 23.628 -6.493 -0.623 1.00 0.00 H new ATOM 0 HA GLU B 31 22.706 -9.281 -1.031 1.00 0.00 H new ATOM 0 HB2 GLU B 31 22.147 -6.450 -2.078 1.00 0.00 H new ATOM 0 HB3 GLU B 31 21.386 -7.839 -2.827 1.00 0.00 H new ATOM 0 HG2 GLU B 31 20.934 -8.357 -0.133 1.00 0.00 H new ATOM 0 HG3 GLU B 31 20.861 -6.607 -0.162 1.00 0.00 H new ATOM 1154 N LEU B 32 24.653 -7.822 -3.223 1.00 0.00 N ATOM 1155 CA LEU B 32 25.460 -8.145 -4.435 1.00 0.00 C ATOM 1156 C LEU B 32 26.750 -8.900 -4.060 1.00 0.00 C ATOM 1157 O LEU B 32 27.486 -9.343 -4.920 1.00 0.00 O ATOM 1158 CB LEU B 32 25.748 -6.776 -5.093 1.00 0.00 C ATOM 1159 CG LEU B 32 27.034 -6.140 -4.538 1.00 0.00 C ATOM 1160 CD1 LEU B 32 28.198 -6.429 -5.488 1.00 0.00 C ATOM 1161 CD2 LEU B 32 26.853 -4.626 -4.419 1.00 0.00 C ATOM 0 H LEU B 32 24.794 -6.887 -2.841 1.00 0.00 H new ATOM 0 HA LEU B 32 24.935 -8.811 -5.120 1.00 0.00 H new ATOM 0 HB2 LEU B 32 25.840 -6.902 -6.172 1.00 0.00 H new ATOM 0 HB3 LEU B 32 24.906 -6.105 -4.922 1.00 0.00 H new ATOM 0 HG LEU B 32 27.244 -6.561 -3.555 1.00 0.00 H new ATOM 0 HD11 LEU B 32 29.109 -5.978 -5.095 1.00 0.00 H new ATOM 0 HD12 LEU B 32 28.336 -7.507 -5.578 1.00 0.00 H new ATOM 0 HD13 LEU B 32 27.980 -6.008 -6.470 1.00 0.00 H new ATOM 0 HD21 LEU B 32 27.766 -4.180 -4.025 1.00 0.00 H new ATOM 0 HD22 LEU B 32 26.639 -4.207 -5.402 1.00 0.00 H new ATOM 0 HD23 LEU B 32 26.024 -4.411 -3.744 1.00 0.00 H new ATOM 1173 N ILE B 33 27.034 -9.049 -2.792 1.00 0.00 N ATOM 1174 CA ILE B 33 28.284 -9.772 -2.394 1.00 0.00 C ATOM 1175 C ILE B 33 27.957 -10.967 -1.485 1.00 0.00 C ATOM 1176 O ILE B 33 28.803 -11.793 -1.207 1.00 0.00 O ATOM 1177 CB ILE B 33 29.135 -8.726 -1.655 1.00 0.00 C ATOM 1178 CG1 ILE B 33 28.486 -8.400 -0.295 1.00 0.00 C ATOM 1179 CG2 ILE B 33 29.231 -7.468 -2.531 1.00 0.00 C ATOM 1180 CD1 ILE B 33 29.126 -7.157 0.344 1.00 0.00 C ATOM 0 H ILE B 33 26.462 -8.706 -2.020 1.00 0.00 H new ATOM 0 HA ILE B 33 28.811 -10.183 -3.255 1.00 0.00 H new ATOM 0 HB ILE B 33 30.138 -9.111 -1.469 1.00 0.00 H new ATOM 0 HG12 ILE B 33 27.417 -8.233 -0.430 1.00 0.00 H new ATOM 0 HG13 ILE B 33 28.593 -9.253 0.376 1.00 0.00 H new ATOM 0 HG21 ILE B 33 29.832 -6.715 -2.021 1.00 0.00 H new ATOM 0 HG22 ILE B 33 29.698 -7.722 -3.483 1.00 0.00 H new ATOM 0 HG23 ILE B 33 28.231 -7.073 -2.712 1.00 0.00 H new ATOM 0 HD11 ILE B 33 28.647 -6.953 1.302 1.00 0.00 H new ATOM 0 HD12 ILE B 33 30.190 -7.335 0.501 1.00 0.00 H new ATOM 0 HD13 ILE B 33 28.996 -6.300 -0.317 1.00 0.00 H new ATOM 1192 N LYS B 34 26.739 -11.065 -1.020 1.00 0.00 N ATOM 1193 CA LYS B 34 26.369 -12.207 -0.133 1.00 0.00 C ATOM 1194 C LYS B 34 26.773 -13.536 -0.780 1.00 0.00 C ATOM 1195 O LYS B 34 26.397 -13.834 -1.896 1.00 0.00 O ATOM 1196 CB LYS B 34 24.849 -12.121 0.010 1.00 0.00 C ATOM 1197 CG LYS B 34 24.483 -11.995 1.490 1.00 0.00 C ATOM 1198 CD LYS B 34 24.623 -13.360 2.167 1.00 0.00 C ATOM 1199 CE LYS B 34 23.242 -14.003 2.309 1.00 0.00 C ATOM 1200 NZ LYS B 34 23.202 -14.514 3.709 1.00 0.00 N ATOM 0 H LYS B 34 25.986 -10.405 -1.216 1.00 0.00 H new ATOM 0 HA LYS B 34 26.873 -12.159 0.832 1.00 0.00 H new ATOM 0 HB2 LYS B 34 24.469 -11.263 -0.544 1.00 0.00 H new ATOM 0 HB3 LYS B 34 24.382 -13.008 -0.417 1.00 0.00 H new ATOM 0 HG2 LYS B 34 25.133 -11.268 1.976 1.00 0.00 H new ATOM 0 HG3 LYS B 34 23.462 -11.629 1.593 1.00 0.00 H new ATOM 0 HD2 LYS B 34 25.277 -14.004 1.579 1.00 0.00 H new ATOM 0 HD3 LYS B 34 25.085 -13.246 3.147 1.00 0.00 H new ATOM 0 HE2 LYS B 34 22.448 -13.278 2.130 1.00 0.00 H new ATOM 0 HE3 LYS B 34 23.106 -14.810 1.589 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 22.284 -14.970 3.886 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 23.966 -15.206 3.848 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 23.328 -13.722 4.371 1.00 0.00 H new ATOM 1214 N GLY B 35 27.537 -14.336 -0.086 1.00 0.00 N ATOM 1215 CA GLY B 35 27.965 -15.642 -0.662 1.00 0.00 C ATOM 1216 C GLY B 35 29.492 -15.736 -0.634 1.00 0.00 C ATOM 1217 O GLY B 35 30.076 -15.877 -1.695 1.00 0.00 O ATOM 1218 OXT GLY B 35 30.050 -15.665 0.448 1.00 0.00 O ATOM 0 H GLY B 35 27.883 -14.141 0.854 1.00 0.00 H new ATOM 0 HA2 GLY B 35 27.529 -16.463 -0.093 1.00 0.00 H new ATOM 0 HA3 GLY B 35 27.603 -15.736 -1.686 1.00 0.00 H new TER 1222 GLY B 35