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= -12.9! C(o=-31!,f=-39!) USER MOD Set 1.2: A 30 HIS : no HE2:sc= -2.44! K(o=-31!,f=-31) USER MOD Set 1.3: B 26 HIS : no HE2:sc= -12.8! C(o=-31!,f=-39!) USER MOD Set 1.4: B 30 HIS : no HE2:sc= -2.45 K(o=-31,f=-31) USER MOD Single : A 1 GLY N :NH3+ -145:sc= 0.0506 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ -141:sc= 0.045 (180deg=0) USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 41.429 -0.469 8.300 1.00 0.00 N ATOM 2 CA GLY A 1 41.818 0.003 6.941 1.00 0.00 C ATOM 3 C GLY A 1 41.594 1.513 6.840 1.00 0.00 C ATOM 4 O GLY A 1 41.714 2.234 7.810 1.00 0.00 O ATOM 0 H1 GLY A 1 42.062 -1.240 8.594 1.00 0.00 H new ATOM 0 H2 GLY A 1 41.504 0.318 8.976 1.00 0.00 H new ATOM 0 H3 GLY A 1 40.449 -0.815 8.280 1.00 0.00 H new ATOM 0 HA2 GLY A 1 42.864 -0.234 6.748 1.00 0.00 H new ATOM 0 HA3 GLY A 1 41.230 -0.514 6.183 1.00 0.00 H new ATOM 10 N GLU A 2 41.268 1.997 5.672 1.00 0.00 N ATOM 11 CA GLU A 2 41.035 3.462 5.510 1.00 0.00 C ATOM 12 C GLU A 2 39.795 3.709 4.646 1.00 0.00 C ATOM 13 O GLU A 2 38.793 4.216 5.111 1.00 0.00 O ATOM 14 CB GLU A 2 42.288 3.984 4.807 1.00 0.00 C ATOM 15 CG GLU A 2 43.442 4.057 5.808 1.00 0.00 C ATOM 16 CD GLU A 2 44.771 3.921 5.064 1.00 0.00 C ATOM 17 OE1 GLU A 2 44.807 3.195 4.084 1.00 0.00 O ATOM 18 OE2 GLU A 2 45.731 4.544 5.487 1.00 0.00 O ATOM 0 H GLU A 2 41.153 1.443 4.824 1.00 0.00 H new ATOM 0 HA GLU A 2 40.862 3.961 6.464 1.00 0.00 H new ATOM 0 HB2 GLU A 2 42.553 3.328 3.978 1.00 0.00 H new ATOM 0 HB3 GLU A 2 42.096 4.970 4.384 1.00 0.00 H new ATOM 0 HG2 GLU A 2 43.410 5.004 6.348 1.00 0.00 H new ATOM 0 HG3 GLU A 2 43.345 3.264 6.549 1.00 0.00 H new ATOM 25 N VAL A 3 39.855 3.352 3.394 1.00 0.00 N ATOM 26 CA VAL A 3 38.681 3.562 2.497 1.00 0.00 C ATOM 27 C VAL A 3 38.910 2.856 1.155 1.00 0.00 C ATOM 28 O VAL A 3 38.001 2.310 0.562 1.00 0.00 O ATOM 29 CB VAL A 3 38.585 5.085 2.307 1.00 0.00 C ATOM 30 CG1 VAL A 3 39.750 5.584 1.442 1.00 0.00 C ATOM 31 CG2 VAL A 3 37.262 5.427 1.619 1.00 0.00 C ATOM 0 H VAL A 3 40.667 2.923 2.951 1.00 0.00 H new ATOM 0 HA VAL A 3 37.762 3.152 2.915 1.00 0.00 H new ATOM 0 HB VAL A 3 38.632 5.569 3.282 1.00 0.00 H new ATOM 0 HG11 VAL A 3 39.672 6.664 1.314 1.00 0.00 H new ATOM 0 HG12 VAL A 3 40.695 5.344 1.930 1.00 0.00 H new ATOM 0 HG13 VAL A 3 39.712 5.099 0.466 1.00 0.00 H new ATOM 0 HG21 VAL A 3 37.191 6.506 1.483 1.00 0.00 H new ATOM 0 HG22 VAL A 3 37.219 4.935 0.647 1.00 0.00 H new ATOM 0 HG23 VAL A 3 36.432 5.084 2.236 1.00 0.00 H new ATOM 41 N GLU A 4 40.122 2.874 0.673 1.00 0.00 N ATOM 42 CA GLU A 4 40.425 2.218 -0.631 1.00 0.00 C ATOM 43 C GLU A 4 40.228 0.702 -0.535 1.00 0.00 C ATOM 44 O GLU A 4 40.078 0.025 -1.532 1.00 0.00 O ATOM 45 CB GLU A 4 41.892 2.543 -0.904 1.00 0.00 C ATOM 46 CG GLU A 4 42.013 3.279 -2.239 1.00 0.00 C ATOM 47 CD GLU A 4 43.474 3.661 -2.480 1.00 0.00 C ATOM 48 OE1 GLU A 4 44.144 3.998 -1.517 1.00 0.00 O ATOM 49 OE2 GLU A 4 43.899 3.609 -3.622 1.00 0.00 O ATOM 0 H GLU A 4 40.920 3.317 1.128 1.00 0.00 H new ATOM 0 HA GLU A 4 39.767 2.571 -1.425 1.00 0.00 H new ATOM 0 HB2 GLU A 4 42.295 3.159 -0.100 1.00 0.00 H new ATOM 0 HB3 GLU A 4 42.480 1.626 -0.928 1.00 0.00 H new ATOM 0 HG2 GLU A 4 41.653 2.645 -3.050 1.00 0.00 H new ATOM 0 HG3 GLU A 4 41.389 4.173 -2.232 1.00 0.00 H new ATOM 56 N GLU A 5 40.229 0.162 0.652 1.00 0.00 N ATOM 57 CA GLU A 5 40.043 -1.311 0.792 1.00 0.00 C ATOM 58 C GLU A 5 38.577 -1.677 0.559 1.00 0.00 C ATOM 59 O GLU A 5 38.259 -2.520 -0.258 1.00 0.00 O ATOM 60 CB GLU A 5 40.457 -1.631 2.229 1.00 0.00 C ATOM 61 CG GLU A 5 41.893 -2.160 2.240 1.00 0.00 C ATOM 62 CD GLU A 5 41.876 -3.685 2.110 1.00 0.00 C ATOM 63 OE1 GLU A 5 41.175 -4.178 1.242 1.00 0.00 O ATOM 64 OE2 GLU A 5 42.566 -4.333 2.880 1.00 0.00 O ATOM 0 H GLU A 5 40.350 0.672 1.527 1.00 0.00 H new ATOM 0 HA GLU A 5 40.632 -1.874 0.068 1.00 0.00 H new ATOM 0 HB2 GLU A 5 40.383 -0.737 2.848 1.00 0.00 H new ATOM 0 HB3 GLU A 5 39.782 -2.372 2.657 1.00 0.00 H new ATOM 0 HG2 GLU A 5 42.460 -1.721 1.419 1.00 0.00 H new ATOM 0 HG3 GLU A 5 42.392 -1.869 3.164 1.00 0.00 H new ATOM 71 N LEU A 6 37.681 -1.044 1.263 1.00 0.00 N ATOM 72 CA LEU A 6 36.238 -1.353 1.071 1.00 0.00 C ATOM 73 C LEU A 6 35.800 -0.876 -0.326 1.00 0.00 C ATOM 74 O LEU A 6 34.846 -1.371 -0.894 1.00 0.00 O ATOM 75 CB LEU A 6 35.528 -0.627 2.244 1.00 0.00 C ATOM 76 CG LEU A 6 34.701 0.584 1.784 1.00 0.00 C ATOM 77 CD1 LEU A 6 33.347 0.108 1.263 1.00 0.00 C ATOM 78 CD2 LEU A 6 34.471 1.520 2.974 1.00 0.00 C ATOM 0 H LEU A 6 37.885 -0.328 1.961 1.00 0.00 H new ATOM 0 HA LEU A 6 35.993 -2.415 1.095 1.00 0.00 H new ATOM 0 HB2 LEU A 6 34.875 -1.332 2.759 1.00 0.00 H new ATOM 0 HB3 LEU A 6 36.275 -0.297 2.966 1.00 0.00 H new ATOM 0 HG LEU A 6 35.237 1.109 0.994 1.00 0.00 H new ATOM 0 HD11 LEU A 6 32.760 0.967 0.937 1.00 0.00 H new ATOM 0 HD12 LEU A 6 33.498 -0.569 0.422 1.00 0.00 H new ATOM 0 HD13 LEU A 6 32.814 -0.414 2.058 1.00 0.00 H new ATOM 0 HD21 LEU A 6 33.885 2.381 2.652 1.00 0.00 H new ATOM 0 HD22 LEU A 6 33.933 0.987 3.758 1.00 0.00 H new ATOM 0 HD23 LEU A 6 35.432 1.860 3.361 1.00 0.00 H new ATOM 90 N GLU A 7 36.515 0.063 -0.890 1.00 0.00 N ATOM 91 CA GLU A 7 36.166 0.555 -2.255 1.00 0.00 C ATOM 92 C GLU A 7 36.481 -0.525 -3.287 1.00 0.00 C ATOM 93 O GLU A 7 35.658 -0.885 -4.108 1.00 0.00 O ATOM 94 CB GLU A 7 37.069 1.765 -2.479 1.00 0.00 C ATOM 95 CG GLU A 7 36.670 2.463 -3.781 1.00 0.00 C ATOM 96 CD GLU A 7 37.454 1.852 -4.945 1.00 0.00 C ATOM 97 OE1 GLU A 7 38.666 1.769 -4.838 1.00 0.00 O ATOM 98 OE2 GLU A 7 36.828 1.479 -5.923 1.00 0.00 O ATOM 0 H GLU A 7 37.326 0.510 -0.463 1.00 0.00 H new ATOM 0 HA GLU A 7 35.109 0.805 -2.349 1.00 0.00 H new ATOM 0 HB2 GLU A 7 36.983 2.457 -1.641 1.00 0.00 H new ATOM 0 HB3 GLU A 7 38.112 1.451 -2.527 1.00 0.00 H new ATOM 0 HG2 GLU A 7 35.599 2.354 -3.952 1.00 0.00 H new ATOM 0 HG3 GLU A 7 36.874 3.531 -3.711 1.00 0.00 H new ATOM 105 N LYS A 8 37.676 -1.044 -3.248 1.00 0.00 N ATOM 106 CA LYS A 8 38.055 -2.104 -4.221 1.00 0.00 C ATOM 107 C LYS A 8 37.111 -3.291 -4.075 1.00 0.00 C ATOM 108 O LYS A 8 36.594 -3.803 -5.044 1.00 0.00 O ATOM 109 CB LYS A 8 39.487 -2.497 -3.855 1.00 0.00 C ATOM 110 CG LYS A 8 40.256 -2.867 -5.124 1.00 0.00 C ATOM 111 CD LYS A 8 41.623 -2.180 -5.110 1.00 0.00 C ATOM 112 CE LYS A 8 42.633 -3.035 -5.878 1.00 0.00 C ATOM 113 NZ LYS A 8 43.968 -2.541 -5.434 1.00 0.00 N ATOM 0 H LYS A 8 38.405 -0.780 -2.585 1.00 0.00 H new ATOM 0 HA LYS A 8 37.990 -1.766 -5.255 1.00 0.00 H new ATOM 0 HB2 LYS A 8 39.983 -1.671 -3.345 1.00 0.00 H new ATOM 0 HB3 LYS A 8 39.478 -3.340 -3.164 1.00 0.00 H new ATOM 0 HG2 LYS A 8 40.381 -3.948 -5.184 1.00 0.00 H new ATOM 0 HG3 LYS A 8 39.693 -2.562 -6.006 1.00 0.00 H new ATOM 0 HD2 LYS A 8 41.549 -1.191 -5.563 1.00 0.00 H new ATOM 0 HD3 LYS A 8 41.959 -2.036 -4.083 1.00 0.00 H new ATOM 0 HE2 LYS A 8 42.508 -4.094 -5.651 1.00 0.00 H new ATOM 0 HE3 LYS A 8 42.508 -2.923 -6.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 44.716 -3.079 -5.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 44.061 -1.532 -5.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 44.060 -2.667 -4.406 1.00 0.00 H new ATOM 127 N LYS A 9 36.864 -3.720 -2.873 1.00 0.00 N ATOM 128 CA LYS A 9 35.928 -4.859 -2.677 1.00 0.00 C ATOM 129 C LYS A 9 34.551 -4.469 -3.208 1.00 0.00 C ATOM 130 O LYS A 9 33.759 -5.304 -3.593 1.00 0.00 O ATOM 131 CB LYS A 9 35.888 -5.082 -1.166 1.00 0.00 C ATOM 132 CG LYS A 9 37.171 -5.785 -0.719 1.00 0.00 C ATOM 133 CD LYS A 9 36.814 -7.044 0.074 1.00 0.00 C ATOM 134 CE LYS A 9 38.089 -7.836 0.373 1.00 0.00 C ATOM 135 NZ LYS A 9 37.821 -8.513 1.674 1.00 0.00 N ATOM 0 H LYS A 9 37.267 -3.334 -2.020 1.00 0.00 H new ATOM 0 HA LYS A 9 36.237 -5.763 -3.203 1.00 0.00 H new ATOM 0 HB2 LYS A 9 35.785 -4.128 -0.650 1.00 0.00 H new ATOM 0 HB3 LYS A 9 35.019 -5.684 -0.900 1.00 0.00 H new ATOM 0 HG2 LYS A 9 37.775 -6.048 -1.587 1.00 0.00 H new ATOM 0 HG3 LYS A 9 37.771 -5.114 -0.105 1.00 0.00 H new ATOM 0 HD2 LYS A 9 36.315 -6.772 1.004 1.00 0.00 H new ATOM 0 HD3 LYS A 9 36.116 -7.659 -0.494 1.00 0.00 H new ATOM 0 HE2 LYS A 9 38.298 -8.560 -0.414 1.00 0.00 H new ATOM 0 HE3 LYS A 9 38.956 -7.179 0.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 38.650 -9.078 1.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 37.631 -7.798 2.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 36.994 -9.136 1.577 1.00 0.00 H new ATOM 149 N PHE A 10 34.269 -3.197 -3.231 1.00 0.00 N ATOM 150 CA PHE A 10 32.952 -2.721 -3.737 1.00 0.00 C ATOM 151 C PHE A 10 32.776 -3.077 -5.217 1.00 0.00 C ATOM 152 O PHE A 10 31.921 -3.860 -5.579 1.00 0.00 O ATOM 153 CB PHE A 10 33.009 -1.199 -3.555 1.00 0.00 C ATOM 154 CG PHE A 10 31.618 -0.622 -3.451 1.00 0.00 C ATOM 155 CD1 PHE A 10 30.859 -0.808 -2.275 1.00 0.00 C ATOM 156 CD2 PHE A 10 31.087 0.127 -4.525 1.00 0.00 C ATOM 157 CE1 PHE A 10 29.568 -0.243 -2.172 1.00 0.00 C ATOM 158 CE2 PHE A 10 29.795 0.688 -4.425 1.00 0.00 C ATOM 159 CZ PHE A 10 29.037 0.506 -3.247 1.00 0.00 C ATOM 0 H PHE A 10 34.901 -2.460 -2.918 1.00 0.00 H new ATOM 0 HA PHE A 10 32.114 -3.178 -3.210 1.00 0.00 H new ATOM 0 HB2 PHE A 10 33.577 -0.956 -2.657 1.00 0.00 H new ATOM 0 HB3 PHE A 10 33.534 -0.746 -4.396 1.00 0.00 H new ATOM 0 HD1 PHE A 10 31.265 -1.382 -1.455 1.00 0.00 H new ATOM 0 HD2 PHE A 10 31.670 0.271 -5.423 1.00 0.00 H new ATOM 0 HE1 PHE A 10 28.987 -0.383 -1.272 1.00 0.00 H new ATOM 0 HE2 PHE A 10 29.387 1.256 -5.248 1.00 0.00 H new ATOM 0 HZ PHE A 10 28.051 0.939 -3.168 1.00 0.00 H new ATOM 169 N LYS A 11 33.571 -2.502 -6.078 1.00 0.00 N ATOM 170 CA LYS A 11 33.425 -2.796 -7.536 1.00 0.00 C ATOM 171 C LYS A 11 33.685 -4.274 -7.837 1.00 0.00 C ATOM 172 O LYS A 11 33.051 -4.865 -8.693 1.00 0.00 O ATOM 173 CB LYS A 11 34.473 -1.918 -8.213 1.00 0.00 C ATOM 174 CG LYS A 11 34.436 -2.141 -9.727 1.00 0.00 C ATOM 175 CD LYS A 11 33.409 -1.198 -10.357 1.00 0.00 C ATOM 176 CE LYS A 11 33.001 -1.733 -11.730 1.00 0.00 C ATOM 177 NZ LYS A 11 33.179 -0.579 -12.657 1.00 0.00 N ATOM 0 H LYS A 11 34.313 -1.844 -5.838 1.00 0.00 H new ATOM 0 HA LYS A 11 32.415 -2.591 -7.891 1.00 0.00 H new ATOM 0 HB2 LYS A 11 34.284 -0.869 -7.986 1.00 0.00 H new ATOM 0 HB3 LYS A 11 35.464 -2.154 -7.825 1.00 0.00 H new ATOM 0 HG2 LYS A 11 35.422 -1.961 -10.156 1.00 0.00 H new ATOM 0 HG3 LYS A 11 34.177 -3.177 -9.946 1.00 0.00 H new ATOM 0 HD2 LYS A 11 32.534 -1.114 -9.713 1.00 0.00 H new ATOM 0 HD3 LYS A 11 33.830 -0.197 -10.455 1.00 0.00 H new ATOM 0 HE2 LYS A 11 33.623 -2.578 -12.026 1.00 0.00 H new ATOM 0 HE3 LYS A 11 31.969 -2.083 -11.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 32.919 -0.866 -13.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 32.570 0.207 -12.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 34.173 -0.272 -12.643 1.00 0.00 H new ATOM 191 N GLU A 12 34.612 -4.875 -7.153 1.00 0.00 N ATOM 192 CA GLU A 12 34.914 -6.310 -7.415 1.00 0.00 C ATOM 193 C GLU A 12 33.769 -7.190 -6.923 1.00 0.00 C ATOM 194 O GLU A 12 33.587 -8.300 -7.384 1.00 0.00 O ATOM 195 CB GLU A 12 36.193 -6.601 -6.630 1.00 0.00 C ATOM 196 CG GLU A 12 37.311 -6.982 -7.602 1.00 0.00 C ATOM 197 CD GLU A 12 37.821 -5.726 -8.311 1.00 0.00 C ATOM 198 OE1 GLU A 12 37.003 -5.005 -8.858 1.00 0.00 O ATOM 199 OE2 GLU A 12 39.021 -5.506 -8.294 1.00 0.00 O ATOM 0 H GLU A 12 35.175 -4.438 -6.424 1.00 0.00 H new ATOM 0 HA GLU A 12 35.036 -6.516 -8.478 1.00 0.00 H new ATOM 0 HB2 GLU A 12 36.484 -5.725 -6.050 1.00 0.00 H new ATOM 0 HB3 GLU A 12 36.021 -7.411 -5.921 1.00 0.00 H new ATOM 0 HG2 GLU A 12 38.126 -7.465 -7.064 1.00 0.00 H new ATOM 0 HG3 GLU A 12 36.942 -7.701 -8.334 1.00 0.00 H new ATOM 206 N LEU A 13 32.990 -6.710 -5.994 1.00 0.00 N ATOM 207 CA LEU A 13 31.861 -7.536 -5.493 1.00 0.00 C ATOM 208 C LEU A 13 30.704 -7.494 -6.497 1.00 0.00 C ATOM 209 O LEU A 13 30.047 -8.487 -6.738 1.00 0.00 O ATOM 210 CB LEU A 13 31.471 -6.906 -4.156 1.00 0.00 C ATOM 211 CG LEU A 13 32.199 -7.636 -3.027 1.00 0.00 C ATOM 212 CD1 LEU A 13 31.854 -6.984 -1.691 1.00 0.00 C ATOM 213 CD2 LEU A 13 31.756 -9.099 -2.999 1.00 0.00 C ATOM 0 H LEU A 13 33.086 -5.790 -5.564 1.00 0.00 H new ATOM 0 HA LEU A 13 32.125 -8.586 -5.369 1.00 0.00 H new ATOM 0 HB2 LEU A 13 31.732 -5.848 -4.149 1.00 0.00 H new ATOM 0 HB3 LEU A 13 30.393 -6.970 -4.011 1.00 0.00 H new ATOM 0 HG LEU A 13 33.274 -7.579 -3.195 1.00 0.00 H new ATOM 0 HD11 LEU A 13 32.373 -7.505 -0.887 1.00 0.00 H new ATOM 0 HD12 LEU A 13 32.163 -5.939 -1.705 1.00 0.00 H new ATOM 0 HD13 LEU A 13 30.778 -7.042 -1.525 1.00 0.00 H new ATOM 0 HD21 LEU A 13 32.274 -9.621 -2.194 1.00 0.00 H new ATOM 0 HD22 LEU A 13 30.680 -9.150 -2.831 1.00 0.00 H new ATOM 0 HD23 LEU A 13 31.997 -9.570 -3.952 1.00 0.00 H new ATOM 225 N TRP A 14 30.453 -6.359 -7.096 1.00 0.00 N ATOM 226 CA TRP A 14 29.342 -6.279 -8.095 1.00 0.00 C ATOM 227 C TRP A 14 29.653 -7.190 -9.278 1.00 0.00 C ATOM 228 O TRP A 14 28.843 -7.993 -9.694 1.00 0.00 O ATOM 229 CB TRP A 14 29.321 -4.829 -8.569 1.00 0.00 C ATOM 230 CG TRP A 14 28.103 -4.135 -8.055 1.00 0.00 C ATOM 231 CD1 TRP A 14 26.860 -4.196 -8.598 1.00 0.00 C ATOM 232 CD2 TRP A 14 28.000 -3.270 -6.902 1.00 0.00 C ATOM 233 NE1 TRP A 14 26.006 -3.408 -7.852 1.00 0.00 N ATOM 234 CE2 TRP A 14 26.657 -2.817 -6.794 1.00 0.00 C ATOM 235 CE3 TRP A 14 28.939 -2.832 -5.943 1.00 0.00 C ATOM 236 CZ2 TRP A 14 26.257 -1.955 -5.767 1.00 0.00 C ATOM 237 CZ3 TRP A 14 28.544 -1.968 -4.902 1.00 0.00 C ATOM 238 CH2 TRP A 14 27.202 -1.527 -4.813 1.00 0.00 C ATOM 0 H TRP A 14 30.964 -5.490 -6.940 1.00 0.00 H new ATOM 0 HA TRP A 14 28.388 -6.586 -7.667 1.00 0.00 H new ATOM 0 HB2 TRP A 14 30.216 -4.313 -8.222 1.00 0.00 H new ATOM 0 HB3 TRP A 14 29.335 -4.795 -9.658 1.00 0.00 H new ATOM 0 HD1 TRP A 14 26.584 -4.768 -9.472 1.00 0.00 H new ATOM 0 HE1 TRP A 14 25.016 -3.280 -8.060 1.00 0.00 H new ATOM 0 HE3 TRP A 14 29.966 -3.161 -6.007 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 25.232 -1.620 -5.706 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 29.268 -1.641 -4.170 1.00 0.00 H new ATOM 0 HH2 TRP A 14 26.903 -0.863 -4.015 1.00 0.00 H new ATOM 249 N LYS A 15 30.828 -7.056 -9.826 1.00 0.00 N ATOM 250 CA LYS A 15 31.210 -7.896 -10.991 1.00 0.00 C ATOM 251 C LYS A 15 32.002 -9.116 -10.516 1.00 0.00 C ATOM 252 O LYS A 15 33.195 -9.051 -10.296 1.00 0.00 O ATOM 253 CB LYS A 15 32.070 -6.974 -11.850 1.00 0.00 C ATOM 254 CG LYS A 15 32.658 -7.757 -13.026 1.00 0.00 C ATOM 255 CD LYS A 15 31.573 -7.987 -14.079 1.00 0.00 C ATOM 256 CE LYS A 15 31.878 -7.144 -15.319 1.00 0.00 C ATOM 257 NZ LYS A 15 30.795 -7.479 -16.286 1.00 0.00 N ATOM 0 H LYS A 15 31.542 -6.398 -9.515 1.00 0.00 H new ATOM 0 HA LYS A 15 30.353 -8.283 -11.543 1.00 0.00 H new ATOM 0 HB2 LYS A 15 31.470 -6.142 -12.219 1.00 0.00 H new ATOM 0 HB3 LYS A 15 32.872 -6.546 -11.249 1.00 0.00 H new ATOM 0 HG2 LYS A 15 33.492 -7.207 -13.462 1.00 0.00 H new ATOM 0 HG3 LYS A 15 33.052 -8.712 -12.680 1.00 0.00 H new ATOM 0 HD2 LYS A 15 31.529 -9.043 -14.346 1.00 0.00 H new ATOM 0 HD3 LYS A 15 30.597 -7.719 -13.675 1.00 0.00 H new ATOM 0 HE2 LYS A 15 31.881 -6.080 -15.082 1.00 0.00 H new ATOM 0 HE3 LYS A 15 32.860 -7.383 -15.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 30.935 -6.939 -17.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 30.821 -8.497 -16.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 29.873 -7.235 -15.872 1.00 0.00 H new ATOM 271 N GLY A 16 31.338 -10.226 -10.346 1.00 0.00 N ATOM 272 CA GLY A 16 32.036 -11.453 -9.873 1.00 0.00 C ATOM 273 C GLY A 16 31.084 -12.251 -8.976 1.00 0.00 C ATOM 274 O GLY A 16 30.410 -13.152 -9.434 1.00 0.00 O ATOM 0 H GLY A 16 30.338 -10.336 -10.515 1.00 0.00 H new ATOM 0 HA2 GLY A 16 32.350 -12.059 -10.723 1.00 0.00 H new ATOM 0 HA3 GLY A 16 32.937 -11.185 -9.322 1.00 0.00 H new ATOM 278 N PRO A 17 31.058 -11.885 -7.720 1.00 0.00 N ATOM 279 CA PRO A 17 30.176 -12.568 -6.747 1.00 0.00 C ATOM 280 C PRO A 17 28.737 -12.053 -6.888 1.00 0.00 C ATOM 281 O PRO A 17 28.362 -11.514 -7.910 1.00 0.00 O ATOM 282 CB PRO A 17 30.774 -12.175 -5.395 1.00 0.00 C ATOM 283 CG PRO A 17 31.489 -10.878 -5.633 1.00 0.00 C ATOM 284 CD PRO A 17 31.844 -10.812 -7.099 1.00 0.00 C ATOM 0 HA PRO A 17 30.126 -13.648 -6.885 1.00 0.00 H new ATOM 0 HB2 PRO A 17 29.996 -12.061 -4.640 1.00 0.00 H new ATOM 0 HB3 PRO A 17 31.460 -12.940 -5.032 1.00 0.00 H new ATOM 0 HG2 PRO A 17 30.856 -10.036 -5.354 1.00 0.00 H new ATOM 0 HG3 PRO A 17 32.388 -10.818 -5.019 1.00 0.00 H new ATOM 0 HD2 PRO A 17 31.593 -9.840 -7.524 1.00 0.00 H new ATOM 0 HD3 PRO A 17 32.912 -10.962 -7.255 1.00 0.00 H new ATOM 292 N ARG A 18 27.934 -12.216 -5.869 1.00 0.00 N ATOM 293 CA ARG A 18 26.516 -11.732 -5.924 1.00 0.00 C ATOM 294 C ARG A 18 26.467 -10.271 -6.389 1.00 0.00 C ATOM 295 O ARG A 18 27.480 -9.673 -6.686 1.00 0.00 O ATOM 296 CB ARG A 18 26.000 -11.843 -4.483 1.00 0.00 C ATOM 297 CG ARG A 18 27.035 -11.250 -3.516 1.00 0.00 C ATOM 298 CD ARG A 18 26.358 -10.271 -2.560 1.00 0.00 C ATOM 299 NE ARG A 18 26.434 -10.937 -1.228 1.00 0.00 N ATOM 300 CZ ARG A 18 25.569 -11.864 -0.910 1.00 0.00 C ATOM 301 NH1 ARG A 18 25.763 -13.097 -1.294 1.00 0.00 N ATOM 302 NH2 ARG A 18 24.512 -11.561 -0.208 1.00 0.00 N ATOM 0 H ARG A 18 28.199 -12.667 -4.993 1.00 0.00 H new ATOM 0 HA ARG A 18 25.915 -12.312 -6.624 1.00 0.00 H new ATOM 0 HB2 ARG A 18 25.051 -11.315 -4.384 1.00 0.00 H new ATOM 0 HB3 ARG A 18 25.811 -12.887 -4.233 1.00 0.00 H new ATOM 0 HG2 ARG A 18 27.516 -12.049 -2.951 1.00 0.00 H new ATOM 0 HG3 ARG A 18 27.818 -10.740 -4.077 1.00 0.00 H new ATOM 0 HD2 ARG A 18 26.868 -9.308 -2.552 1.00 0.00 H new ATOM 0 HD3 ARG A 18 25.325 -10.082 -2.851 1.00 0.00 H new ATOM 0 HE ARG A 18 27.161 -10.669 -0.565 1.00 0.00 H new ATOM 0 HH11 ARG A 18 26.589 -13.336 -1.842 1.00 0.00 H new ATOM 0 HH12 ARG A 18 25.088 -13.821 -1.046 1.00 0.00 H new ATOM 0 HH21 ARG A 18 24.359 -10.599 0.094 1.00 0.00 H new ATOM 0 HH22 ARG A 18 23.839 -12.286 0.039 1.00 0.00 H new ATOM 316 N ARG A 19 25.297 -9.687 -6.452 1.00 0.00 N ATOM 317 CA ARG A 19 25.208 -8.264 -6.898 1.00 0.00 C ATOM 318 C ARG A 19 23.991 -7.565 -6.284 1.00 0.00 C ATOM 319 O ARG A 19 24.108 -6.511 -5.694 1.00 0.00 O ATOM 320 CB ARG A 19 25.074 -8.330 -8.420 1.00 0.00 C ATOM 321 CG ARG A 19 24.905 -6.915 -8.980 1.00 0.00 C ATOM 322 CD ARG A 19 23.544 -6.798 -9.670 1.00 0.00 C ATOM 323 NE ARG A 19 23.479 -5.388 -10.148 1.00 0.00 N ATOM 324 CZ ARG A 19 22.322 -4.823 -10.363 1.00 0.00 C ATOM 325 NH1 ARG A 19 21.393 -5.468 -11.014 1.00 0.00 N ATOM 326 NH2 ARG A 19 22.095 -3.614 -9.928 1.00 0.00 N ATOM 0 H ARG A 19 24.408 -10.129 -6.217 1.00 0.00 H new ATOM 0 HA ARG A 19 26.081 -7.692 -6.584 1.00 0.00 H new ATOM 0 HB2 ARG A 19 25.956 -8.801 -8.853 1.00 0.00 H new ATOM 0 HB3 ARG A 19 24.217 -8.946 -8.694 1.00 0.00 H new ATOM 0 HG2 ARG A 19 24.981 -6.183 -8.176 1.00 0.00 H new ATOM 0 HG3 ARG A 19 25.704 -6.695 -9.688 1.00 0.00 H new ATOM 0 HD2 ARG A 19 23.459 -7.501 -10.499 1.00 0.00 H new ATOM 0 HD3 ARG A 19 22.730 -7.019 -8.980 1.00 0.00 H new ATOM 0 HE ARG A 19 24.339 -4.864 -10.307 1.00 0.00 H new ATOM 0 HH11 ARG A 19 21.571 -6.413 -11.354 1.00 0.00 H new ATOM 0 HH12 ARG A 19 20.489 -5.027 -11.182 1.00 0.00 H new ATOM 0 HH21 ARG A 19 22.822 -3.110 -9.420 1.00 0.00 H new ATOM 0 HH22 ARG A 19 21.191 -3.173 -10.096 1.00 0.00 H new ATOM 340 N GLY A 20 22.826 -8.128 -6.426 1.00 0.00 N ATOM 341 CA GLY A 20 21.612 -7.475 -5.857 1.00 0.00 C ATOM 342 C GLY A 20 21.825 -7.179 -4.369 1.00 0.00 C ATOM 343 O GLY A 20 21.409 -6.154 -3.866 1.00 0.00 O ATOM 0 H GLY A 20 22.660 -9.010 -6.910 1.00 0.00 H new ATOM 0 HA2 GLY A 20 21.401 -6.550 -6.394 1.00 0.00 H new ATOM 0 HA3 GLY A 20 20.746 -8.123 -5.987 1.00 0.00 H new ATOM 347 N GLU A 21 22.462 -8.069 -3.659 1.00 0.00 N ATOM 348 CA GLU A 21 22.689 -7.837 -2.203 1.00 0.00 C ATOM 349 C GLU A 21 23.773 -6.776 -1.977 1.00 0.00 C ATOM 350 O GLU A 21 23.774 -6.088 -0.975 1.00 0.00 O ATOM 351 CB GLU A 21 23.138 -9.190 -1.657 1.00 0.00 C ATOM 352 CG GLU A 21 21.962 -9.872 -0.958 1.00 0.00 C ATOM 353 CD GLU A 21 21.545 -11.111 -1.752 1.00 0.00 C ATOM 354 OE1 GLU A 21 21.035 -10.944 -2.848 1.00 0.00 O ATOM 355 OE2 GLU A 21 21.742 -12.206 -1.252 1.00 0.00 O ATOM 0 H GLU A 21 22.835 -8.946 -4.023 1.00 0.00 H new ATOM 0 HA GLU A 21 21.792 -7.467 -1.705 1.00 0.00 H new ATOM 0 HB2 GLU A 21 23.506 -9.818 -2.468 1.00 0.00 H new ATOM 0 HB3 GLU A 21 23.963 -9.056 -0.957 1.00 0.00 H new ATOM 0 HG2 GLU A 21 22.243 -10.155 0.057 1.00 0.00 H new ATOM 0 HG3 GLU A 21 21.123 -9.181 -0.876 1.00 0.00 H new ATOM 362 N ILE A 22 24.691 -6.627 -2.895 1.00 0.00 N ATOM 363 CA ILE A 22 25.757 -5.596 -2.707 1.00 0.00 C ATOM 364 C ILE A 22 25.146 -4.205 -2.833 1.00 0.00 C ATOM 365 O ILE A 22 25.317 -3.355 -1.983 1.00 0.00 O ATOM 366 CB ILE A 22 26.773 -5.818 -3.827 1.00 0.00 C ATOM 367 CG1 ILE A 22 27.210 -7.285 -3.856 1.00 0.00 C ATOM 368 CG2 ILE A 22 27.990 -4.923 -3.571 1.00 0.00 C ATOM 369 CD1 ILE A 22 28.275 -7.485 -4.934 1.00 0.00 C ATOM 0 H ILE A 22 24.750 -7.167 -3.758 1.00 0.00 H new ATOM 0 HA ILE A 22 26.225 -5.677 -1.726 1.00 0.00 H new ATOM 0 HB ILE A 22 26.321 -5.569 -4.787 1.00 0.00 H new ATOM 0 HG12 ILE A 22 27.605 -7.576 -2.883 1.00 0.00 H new ATOM 0 HG13 ILE A 22 26.352 -7.926 -4.056 1.00 0.00 H new ATOM 0 HG21 ILE A 22 28.724 -5.071 -4.363 1.00 0.00 H new ATOM 0 HG22 ILE A 22 27.677 -3.879 -3.557 1.00 0.00 H new ATOM 0 HG23 ILE A 22 28.436 -5.181 -2.611 1.00 0.00 H new ATOM 0 HD11 ILE A 22 28.583 -8.530 -4.951 1.00 0.00 H new ATOM 0 HD12 ILE A 22 27.865 -7.212 -5.906 1.00 0.00 H new ATOM 0 HD13 ILE A 22 29.138 -6.856 -4.714 1.00 0.00 H new ATOM 381 N GLU A 23 24.427 -3.969 -3.890 1.00 0.00 N ATOM 382 CA GLU A 23 23.793 -2.645 -4.072 1.00 0.00 C ATOM 383 C GLU A 23 22.804 -2.410 -2.927 1.00 0.00 C ATOM 384 O GLU A 23 22.629 -1.299 -2.453 1.00 0.00 O ATOM 385 CB GLU A 23 23.121 -2.742 -5.445 1.00 0.00 C ATOM 386 CG GLU A 23 22.518 -1.398 -5.832 1.00 0.00 C ATOM 387 CD GLU A 23 20.991 -1.500 -5.831 1.00 0.00 C ATOM 388 OE1 GLU A 23 20.475 -2.359 -5.134 1.00 0.00 O ATOM 389 OE2 GLU A 23 20.364 -0.718 -6.526 1.00 0.00 O ATOM 0 H GLU A 23 24.252 -4.641 -4.637 1.00 0.00 H new ATOM 0 HA GLU A 23 24.481 -1.800 -4.045 1.00 0.00 H new ATOM 0 HB2 GLU A 23 23.850 -3.051 -6.194 1.00 0.00 H new ATOM 0 HB3 GLU A 23 22.343 -3.505 -5.424 1.00 0.00 H new ATOM 0 HG2 GLU A 23 22.841 -0.628 -5.132 1.00 0.00 H new ATOM 0 HG3 GLU A 23 22.872 -1.100 -6.819 1.00 0.00 H new ATOM 396 N GLU A 24 22.197 -3.455 -2.433 1.00 0.00 N ATOM 397 CA GLU A 24 21.277 -3.284 -1.279 1.00 0.00 C ATOM 398 C GLU A 24 22.101 -2.756 -0.105 1.00 0.00 C ATOM 399 O GLU A 24 21.649 -1.953 0.688 1.00 0.00 O ATOM 400 CB GLU A 24 20.732 -4.681 -0.981 1.00 0.00 C ATOM 401 CG GLU A 24 19.808 -4.619 0.238 1.00 0.00 C ATOM 402 CD GLU A 24 19.952 -5.906 1.053 1.00 0.00 C ATOM 403 OE1 GLU A 24 21.078 -6.284 1.333 1.00 0.00 O ATOM 404 OE2 GLU A 24 18.934 -6.492 1.382 1.00 0.00 O ATOM 0 H GLU A 24 22.298 -4.410 -2.776 1.00 0.00 H new ATOM 0 HA GLU A 24 20.460 -2.588 -1.469 1.00 0.00 H new ATOM 0 HB2 GLU A 24 20.187 -5.062 -1.845 1.00 0.00 H new ATOM 0 HB3 GLU A 24 21.554 -5.371 -0.793 1.00 0.00 H new ATOM 0 HG2 GLU A 24 20.059 -3.756 0.854 1.00 0.00 H new ATOM 0 HG3 GLU A 24 18.774 -4.492 -0.082 1.00 0.00 H new ATOM 411 N LEU A 25 23.328 -3.195 -0.018 1.00 0.00 N ATOM 412 CA LEU A 25 24.231 -2.723 1.070 1.00 0.00 C ATOM 413 C LEU A 25 24.499 -1.231 0.889 1.00 0.00 C ATOM 414 O LEU A 25 24.644 -0.497 1.842 1.00 0.00 O ATOM 415 CB LEU A 25 25.529 -3.513 0.887 1.00 0.00 C ATOM 416 CG LEU A 25 26.401 -3.363 2.134 1.00 0.00 C ATOM 417 CD1 LEU A 25 25.724 -4.043 3.324 1.00 0.00 C ATOM 418 CD2 LEU A 25 27.764 -4.013 1.883 1.00 0.00 C ATOM 0 H LEU A 25 23.747 -3.867 -0.661 1.00 0.00 H new ATOM 0 HA LEU A 25 23.803 -2.871 2.061 1.00 0.00 H new ATOM 0 HB2 LEU A 25 25.305 -4.565 0.712 1.00 0.00 H new ATOM 0 HB3 LEU A 25 26.066 -3.152 0.010 1.00 0.00 H new ATOM 0 HG LEU A 25 26.535 -2.304 2.354 1.00 0.00 H new ATOM 0 HD11 LEU A 25 26.349 -3.933 4.210 1.00 0.00 H new ATOM 0 HD12 LEU A 25 24.754 -3.579 3.505 1.00 0.00 H new ATOM 0 HD13 LEU A 25 25.585 -5.102 3.107 1.00 0.00 H new ATOM 0 HD21 LEU A 25 28.387 -3.907 2.771 1.00 0.00 H new ATOM 0 HD22 LEU A 25 27.627 -5.071 1.660 1.00 0.00 H new ATOM 0 HD23 LEU A 25 28.250 -3.524 1.039 1.00 0.00 H new ATOM 430 N HIS A 26 24.560 -0.781 -0.336 1.00 0.00 N ATOM 431 CA HIS A 26 24.809 0.666 -0.593 1.00 0.00 C ATOM 432 C HIS A 26 23.649 1.489 -0.033 1.00 0.00 C ATOM 433 O HIS A 26 23.830 2.589 0.447 1.00 0.00 O ATOM 434 CB HIS A 26 24.898 0.797 -2.111 1.00 0.00 C ATOM 435 CG HIS A 26 25.012 2.248 -2.478 1.00 0.00 C ATOM 436 ND1 HIS A 26 26.062 3.045 -2.050 1.00 0.00 N ATOM 437 CD2 HIS A 26 24.207 3.059 -3.228 1.00 0.00 C ATOM 438 CE1 HIS A 26 25.858 4.280 -2.545 1.00 0.00 C ATOM 439 NE2 HIS A 26 24.740 4.343 -3.271 1.00 0.00 N ATOM 0 H HIS A 26 24.448 -1.355 -1.171 1.00 0.00 H new ATOM 0 HA HIS A 26 25.719 1.029 -0.115 1.00 0.00 H new ATOM 0 HB2 HIS A 26 25.761 0.247 -2.485 1.00 0.00 H new ATOM 0 HB3 HIS A 26 24.015 0.360 -2.578 1.00 0.00 H new ATOM 0 HD1 HIS A 26 26.845 2.750 -1.467 1.00 0.00 H new ATOM 0 HD2 HIS A 26 23.294 2.749 -3.714 1.00 0.00 H new ATOM 0 HE1 HIS A 26 26.518 5.118 -2.375 1.00 0.00 H new ATOM 447 N LYS A 27 22.458 0.963 -0.070 1.00 0.00 N ATOM 448 CA LYS A 27 21.310 1.728 0.494 1.00 0.00 C ATOM 449 C LYS A 27 21.464 1.793 2.017 1.00 0.00 C ATOM 450 O LYS A 27 21.350 2.843 2.623 1.00 0.00 O ATOM 451 CB LYS A 27 20.062 0.935 0.104 1.00 0.00 C ATOM 452 CG LYS A 27 19.998 0.805 -1.419 1.00 0.00 C ATOM 453 CD LYS A 27 19.036 1.854 -1.981 1.00 0.00 C ATOM 454 CE LYS A 27 18.391 1.320 -3.261 1.00 0.00 C ATOM 455 NZ LYS A 27 17.440 2.388 -3.682 1.00 0.00 N ATOM 0 H LYS A 27 22.230 0.049 -0.461 1.00 0.00 H new ATOM 0 HA LYS A 27 21.253 2.751 0.121 1.00 0.00 H new ATOM 0 HB2 LYS A 27 20.087 -0.053 0.564 1.00 0.00 H new ATOM 0 HB3 LYS A 27 19.168 1.437 0.475 1.00 0.00 H new ATOM 0 HG2 LYS A 27 20.991 0.940 -1.848 1.00 0.00 H new ATOM 0 HG3 LYS A 27 19.664 -0.195 -1.696 1.00 0.00 H new ATOM 0 HD2 LYS A 27 18.268 2.090 -1.245 1.00 0.00 H new ATOM 0 HD3 LYS A 27 19.572 2.780 -2.190 1.00 0.00 H new ATOM 0 HE2 LYS A 27 19.139 1.130 -4.031 1.00 0.00 H new ATOM 0 HE3 LYS A 27 17.873 0.378 -3.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 16.956 2.097 -4.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.737 2.542 -2.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 17.963 3.271 -3.853 1.00 0.00 H new ATOM 469 N LYS A 28 21.748 0.678 2.638 1.00 0.00 N ATOM 470 CA LYS A 28 21.936 0.675 4.117 1.00 0.00 C ATOM 471 C LYS A 28 23.133 1.559 4.480 1.00 0.00 C ATOM 472 O LYS A 28 23.223 2.088 5.570 1.00 0.00 O ATOM 473 CB LYS A 28 22.210 -0.784 4.481 1.00 0.00 C ATOM 474 CG LYS A 28 21.712 -1.058 5.902 1.00 0.00 C ATOM 475 CD LYS A 28 20.430 -1.891 5.842 1.00 0.00 C ATOM 476 CE LYS A 28 20.759 -3.358 6.123 1.00 0.00 C ATOM 477 NZ LYS A 28 19.613 -3.858 6.933 1.00 0.00 N ATOM 0 H LYS A 28 21.858 -0.229 2.185 1.00 0.00 H new ATOM 0 HA LYS A 28 21.070 1.064 4.653 1.00 0.00 H new ATOM 0 HB2 LYS A 28 21.709 -1.446 3.775 1.00 0.00 H new ATOM 0 HB3 LYS A 28 23.278 -0.993 4.412 1.00 0.00 H new ATOM 0 HG2 LYS A 28 22.476 -1.588 6.471 1.00 0.00 H new ATOM 0 HG3 LYS A 28 21.523 -0.118 6.420 1.00 0.00 H new ATOM 0 HD2 LYS A 28 19.710 -1.523 6.573 1.00 0.00 H new ATOM 0 HD3 LYS A 28 19.966 -1.793 4.861 1.00 0.00 H new ATOM 0 HE2 LYS A 28 20.865 -3.924 5.197 1.00 0.00 H new ATOM 0 HE3 LYS A 28 21.699 -3.455 6.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 19.764 -4.860 7.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 19.541 -3.305 7.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 18.733 -3.759 6.388 1.00 0.00 H new ATOM 491 N PHE A 29 24.041 1.739 3.557 1.00 0.00 N ATOM 492 CA PHE A 29 25.224 2.605 3.822 1.00 0.00 C ATOM 493 C PHE A 29 24.752 4.048 3.953 1.00 0.00 C ATOM 494 O PHE A 29 24.938 4.687 4.968 1.00 0.00 O ATOM 495 CB PHE A 29 26.119 2.445 2.587 1.00 0.00 C ATOM 496 CG PHE A 29 27.002 1.211 2.686 1.00 0.00 C ATOM 497 CD1 PHE A 29 26.891 0.301 3.771 1.00 0.00 C ATOM 498 CD2 PHE A 29 27.958 0.976 1.674 1.00 0.00 C ATOM 499 CE1 PHE A 29 27.734 -0.830 3.834 1.00 0.00 C ATOM 500 CE2 PHE A 29 28.798 -0.155 1.738 1.00 0.00 C ATOM 501 CZ PHE A 29 28.687 -1.058 2.817 1.00 0.00 C ATOM 0 H PHE A 29 24.012 1.321 2.627 1.00 0.00 H new ATOM 0 HA PHE A 29 25.754 2.339 4.736 1.00 0.00 H new ATOM 0 HB2 PHE A 29 25.498 2.377 1.694 1.00 0.00 H new ATOM 0 HB3 PHE A 29 26.744 3.331 2.474 1.00 0.00 H new ATOM 0 HD1 PHE A 29 26.161 0.474 4.548 1.00 0.00 H new ATOM 0 HD2 PHE A 29 28.046 1.665 0.847 1.00 0.00 H new ATOM 0 HE1 PHE A 29 27.650 -1.521 4.660 1.00 0.00 H new ATOM 0 HE2 PHE A 29 29.527 -0.330 0.961 1.00 0.00 H new ATOM 0 HZ PHE A 29 29.331 -1.924 2.865 1.00 0.00 H new ATOM 511 N HIS A 30 24.123 4.552 2.929 1.00 0.00 N ATOM 512 CA HIS A 30 23.612 5.949 2.967 1.00 0.00 C ATOM 513 C HIS A 30 22.772 6.173 4.228 1.00 0.00 C ATOM 514 O HIS A 30 22.685 7.271 4.741 1.00 0.00 O ATOM 515 CB HIS A 30 22.737 6.069 1.717 1.00 0.00 C ATOM 516 CG HIS A 30 22.526 7.521 1.387 1.00 0.00 C ATOM 517 ND1 HIS A 30 22.977 8.084 0.204 1.00 0.00 N ATOM 518 CD2 HIS A 30 21.913 8.538 2.077 1.00 0.00 C ATOM 519 CE1 HIS A 30 22.631 9.385 0.216 1.00 0.00 C ATOM 520 NE2 HIS A 30 21.980 9.714 1.336 1.00 0.00 N ATOM 0 H HIS A 30 23.940 4.051 2.060 1.00 0.00 H new ATOM 0 HA HIS A 30 24.414 6.687 2.987 1.00 0.00 H new ATOM 0 HB2 HIS A 30 23.212 5.560 0.878 1.00 0.00 H new ATOM 0 HB3 HIS A 30 21.777 5.580 1.884 1.00 0.00 H new ATOM 0 HD1 HIS A 30 23.480 7.601 -0.540 1.00 0.00 H new ATOM 0 HD2 HIS A 30 21.449 8.440 3.047 1.00 0.00 H new ATOM 0 HE1 HIS A 30 22.852 10.078 -0.582 1.00 0.00 H new ATOM 528 N GLU A 31 22.144 5.142 4.723 1.00 0.00 N ATOM 529 CA GLU A 31 21.297 5.300 5.942 1.00 0.00 C ATOM 530 C GLU A 31 22.150 5.328 7.217 1.00 0.00 C ATOM 531 O GLU A 31 21.810 5.989 8.179 1.00 0.00 O ATOM 532 CB GLU A 31 20.381 4.076 5.942 1.00 0.00 C ATOM 533 CG GLU A 31 18.960 4.503 5.569 1.00 0.00 C ATOM 534 CD GLU A 31 18.281 3.383 4.778 1.00 0.00 C ATOM 535 OE1 GLU A 31 18.912 2.855 3.877 1.00 0.00 O ATOM 536 OE2 GLU A 31 17.143 3.072 5.087 1.00 0.00 O ATOM 0 H GLU A 31 22.180 4.198 4.338 1.00 0.00 H new ATOM 0 HA GLU A 31 20.743 6.239 5.927 1.00 0.00 H new ATOM 0 HB2 GLU A 31 20.747 3.334 5.232 1.00 0.00 H new ATOM 0 HB3 GLU A 31 20.385 3.606 6.925 1.00 0.00 H new ATOM 0 HG2 GLU A 31 18.388 4.725 6.470 1.00 0.00 H new ATOM 0 HG3 GLU A 31 18.988 5.417 4.975 1.00 0.00 H new ATOM 543 N LEU A 32 23.239 4.607 7.251 1.00 0.00 N ATOM 544 CA LEU A 32 24.075 4.595 8.484 1.00 0.00 C ATOM 545 C LEU A 32 25.117 5.731 8.469 1.00 0.00 C ATOM 546 O LEU A 32 25.828 5.936 9.433 1.00 0.00 O ATOM 547 CB LEU A 32 24.728 3.195 8.502 1.00 0.00 C ATOM 548 CG LEU A 32 26.076 3.188 7.764 1.00 0.00 C ATOM 549 CD1 LEU A 32 27.210 3.357 8.777 1.00 0.00 C ATOM 550 CD2 LEU A 32 26.254 1.858 7.029 1.00 0.00 C ATOM 0 H LEU A 32 23.583 4.030 6.484 1.00 0.00 H new ATOM 0 HA LEU A 32 23.488 4.771 9.386 1.00 0.00 H new ATOM 0 HB2 LEU A 32 24.876 2.876 9.534 1.00 0.00 H new ATOM 0 HB3 LEU A 32 24.055 2.473 8.038 1.00 0.00 H new ATOM 0 HG LEU A 32 26.097 4.007 7.045 1.00 0.00 H new ATOM 0 HD11 LEU A 32 28.167 3.352 8.256 1.00 0.00 H new ATOM 0 HD12 LEU A 32 27.089 4.303 9.304 1.00 0.00 H new ATOM 0 HD13 LEU A 32 27.183 2.536 9.494 1.00 0.00 H new ATOM 0 HD21 LEU A 32 27.211 1.856 6.507 1.00 0.00 H new ATOM 0 HD22 LEU A 32 26.232 1.039 7.748 1.00 0.00 H new ATOM 0 HD23 LEU A 32 25.447 1.730 6.308 1.00 0.00 H new ATOM 562 N ILE A 33 25.220 6.468 7.394 1.00 0.00 N ATOM 563 CA ILE A 33 26.227 7.576 7.355 1.00 0.00 C ATOM 564 C ILE A 33 25.560 8.913 6.999 1.00 0.00 C ATOM 565 O ILE A 33 26.182 9.956 7.050 1.00 0.00 O ATOM 566 CB ILE A 33 27.246 7.161 6.284 1.00 0.00 C ATOM 567 CG1 ILE A 33 26.590 7.222 4.894 1.00 0.00 C ATOM 568 CG2 ILE A 33 27.727 5.738 6.592 1.00 0.00 C ATOM 569 CD1 ILE A 33 27.506 6.600 3.830 1.00 0.00 C ATOM 0 H ILE A 33 24.659 6.355 6.550 1.00 0.00 H new ATOM 0 HA ILE A 33 26.702 7.726 8.324 1.00 0.00 H new ATOM 0 HB ILE A 33 28.099 7.840 6.290 1.00 0.00 H new ATOM 0 HG12 ILE A 33 25.637 6.694 4.913 1.00 0.00 H new ATOM 0 HG13 ILE A 33 26.375 8.258 4.634 1.00 0.00 H new ATOM 0 HG21 ILE A 33 28.452 5.428 5.839 1.00 0.00 H new ATOM 0 HG22 ILE A 33 28.194 5.717 7.577 1.00 0.00 H new ATOM 0 HG23 ILE A 33 26.877 5.056 6.579 1.00 0.00 H new ATOM 0 HD11 ILE A 33 27.021 6.655 2.855 1.00 0.00 H new ATOM 0 HD12 ILE A 33 28.449 7.146 3.797 1.00 0.00 H new ATOM 0 HD13 ILE A 33 27.699 5.557 4.081 1.00 0.00 H new ATOM 581 N LYS A 34 24.301 8.896 6.644 1.00 0.00 N ATOM 582 CA LYS A 34 23.610 10.171 6.293 1.00 0.00 C ATOM 583 C LYS A 34 23.803 11.203 7.410 1.00 0.00 C ATOM 584 O LYS A 34 23.572 10.926 8.570 1.00 0.00 O ATOM 585 CB LYS A 34 22.133 9.798 6.159 1.00 0.00 C ATOM 586 CG LYS A 34 21.606 10.278 4.805 1.00 0.00 C ATOM 587 CD LYS A 34 21.413 11.795 4.843 1.00 0.00 C ATOM 588 CE LYS A 34 20.332 12.199 3.838 1.00 0.00 C ATOM 589 NZ LYS A 34 20.407 13.686 3.774 1.00 0.00 N ATOM 0 H LYS A 34 23.724 8.057 6.582 1.00 0.00 H new ATOM 0 HA LYS A 34 24.003 10.615 5.378 1.00 0.00 H new ATOM 0 HB2 LYS A 34 22.010 8.719 6.247 1.00 0.00 H new ATOM 0 HB3 LYS A 34 21.558 10.251 6.966 1.00 0.00 H new ATOM 0 HG2 LYS A 34 22.306 10.009 4.014 1.00 0.00 H new ATOM 0 HG3 LYS A 34 20.661 9.786 4.575 1.00 0.00 H new ATOM 0 HD2 LYS A 34 21.127 12.111 5.846 1.00 0.00 H new ATOM 0 HD3 LYS A 34 22.351 12.297 4.606 1.00 0.00 H new ATOM 0 HE2 LYS A 34 20.514 11.752 2.861 1.00 0.00 H new ATOM 0 HE3 LYS A 34 19.346 11.866 4.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 19.695 14.041 3.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 20.224 14.084 4.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 21.355 13.972 3.456 1.00 0.00 H new ATOM 603 N GLY A 35 24.225 12.390 7.069 1.00 0.00 N ATOM 604 CA GLY A 35 24.432 13.434 8.111 1.00 0.00 C ATOM 605 C GLY A 35 25.645 14.290 7.743 1.00 0.00 C ATOM 606 O GLY A 35 26.607 14.272 8.493 1.00 0.00 O ATOM 607 OXT GLY A 35 25.592 14.949 6.717 1.00 0.00 O ATOM 0 H GLY A 35 24.435 12.681 6.114 1.00 0.00 H new ATOM 0 HA2 GLY A 35 23.544 14.060 8.195 1.00 0.00 H new ATOM 0 HA3 GLY A 35 24.585 12.967 9.084 1.00 0.00 H new TER 611 GLY A 35 ATOM 612 N GLY B 1 34.674 -11.940 -2.381 1.00 0.00 N ATOM 613 CA GLY B 1 33.789 -11.964 -1.183 1.00 0.00 C ATOM 614 C GLY B 1 32.325 -11.968 -1.629 1.00 0.00 C ATOM 615 O GLY B 1 31.985 -12.500 -2.667 1.00 0.00 O ATOM 0 H1 GLY B 1 35.497 -12.554 -2.217 1.00 0.00 H new ATOM 0 H2 GLY B 1 34.147 -12.283 -3.209 1.00 0.00 H new ATOM 0 H3 GLY B 1 34.997 -10.967 -2.555 1.00 0.00 H new ATOM 0 HA2 GLY B 1 33.999 -12.848 -0.580 1.00 0.00 H new ATOM 0 HA3 GLY B 1 33.986 -11.095 -0.555 1.00 0.00 H new ATOM 621 N GLU B 2 31.457 -11.380 -0.853 1.00 0.00 N ATOM 622 CA GLU B 2 30.015 -11.350 -1.234 1.00 0.00 C ATOM 623 C GLU B 2 29.425 -9.962 -0.970 1.00 0.00 C ATOM 624 O GLU B 2 29.060 -9.247 -1.882 1.00 0.00 O ATOM 625 CB GLU B 2 29.349 -12.393 -0.337 1.00 0.00 C ATOM 626 CG GLU B 2 29.681 -13.795 -0.852 1.00 0.00 C ATOM 627 CD GLU B 2 29.621 -14.791 0.307 1.00 0.00 C ATOM 628 OE1 GLU B 2 29.969 -14.407 1.412 1.00 0.00 O ATOM 629 OE2 GLU B 2 29.228 -15.922 0.071 1.00 0.00 O ATOM 0 H GLU B 2 31.683 -10.919 0.028 1.00 0.00 H new ATOM 0 HA GLU B 2 29.863 -11.563 -2.292 1.00 0.00 H new ATOM 0 HB2 GLU B 2 29.696 -12.280 0.690 1.00 0.00 H new ATOM 0 HB3 GLU B 2 28.269 -12.244 -0.327 1.00 0.00 H new ATOM 0 HG2 GLU B 2 28.976 -14.084 -1.631 1.00 0.00 H new ATOM 0 HG3 GLU B 2 30.674 -13.803 -1.302 1.00 0.00 H new ATOM 636 N VAL B 3 29.332 -9.578 0.272 1.00 0.00 N ATOM 637 CA VAL B 3 28.767 -8.236 0.600 1.00 0.00 C ATOM 638 C VAL B 3 28.978 -7.924 2.088 1.00 0.00 C ATOM 639 O VAL B 3 29.232 -6.798 2.469 1.00 0.00 O ATOM 640 CB VAL B 3 27.269 -8.339 0.266 1.00 0.00 C ATOM 641 CG1 VAL B 3 26.564 -9.251 1.279 1.00 0.00 C ATOM 642 CG2 VAL B 3 26.642 -6.944 0.320 1.00 0.00 C ATOM 0 H VAL B 3 29.622 -10.134 1.076 1.00 0.00 H new ATOM 0 HA VAL B 3 29.248 -7.434 0.040 1.00 0.00 H new ATOM 0 HB VAL B 3 27.154 -8.760 -0.733 1.00 0.00 H new ATOM 0 HG11 VAL B 3 25.504 -9.317 1.033 1.00 0.00 H new ATOM 0 HG12 VAL B 3 27.007 -10.246 1.243 1.00 0.00 H new ATOM 0 HG13 VAL B 3 26.679 -8.839 2.281 1.00 0.00 H new ATOM 0 HG21 VAL B 3 25.580 -7.013 0.084 1.00 0.00 H new ATOM 0 HG22 VAL B 3 26.765 -6.528 1.320 1.00 0.00 H new ATOM 0 HG23 VAL B 3 27.134 -6.296 -0.405 1.00 0.00 H new ATOM 652 N GLU B 4 28.867 -8.918 2.927 1.00 0.00 N ATOM 653 CA GLU B 4 29.050 -8.693 4.390 1.00 0.00 C ATOM 654 C GLU B 4 30.494 -8.291 4.701 1.00 0.00 C ATOM 655 O GLU B 4 30.779 -7.734 5.742 1.00 0.00 O ATOM 656 CB GLU B 4 28.726 -10.038 5.038 1.00 0.00 C ATOM 657 CG GLU B 4 27.588 -9.860 6.044 1.00 0.00 C ATOM 658 CD GLU B 4 27.222 -11.219 6.645 1.00 0.00 C ATOM 659 OE1 GLU B 4 27.269 -12.197 5.918 1.00 0.00 O ATOM 660 OE2 GLU B 4 26.903 -11.257 7.821 1.00 0.00 O ATOM 0 H GLU B 4 28.657 -9.880 2.661 1.00 0.00 H new ATOM 0 HA GLU B 4 28.414 -7.889 4.760 1.00 0.00 H new ATOM 0 HB2 GLU B 4 28.441 -10.762 4.275 1.00 0.00 H new ATOM 0 HB3 GLU B 4 29.609 -10.434 5.539 1.00 0.00 H new ATOM 0 HG2 GLU B 4 27.890 -9.171 6.833 1.00 0.00 H new ATOM 0 HG3 GLU B 4 26.719 -9.422 5.553 1.00 0.00 H new ATOM 667 N GLU B 5 31.408 -8.569 3.814 1.00 0.00 N ATOM 668 CA GLU B 5 32.828 -8.198 4.075 1.00 0.00 C ATOM 669 C GLU B 5 33.017 -6.692 3.889 1.00 0.00 C ATOM 670 O GLU B 5 33.513 -6.005 4.762 1.00 0.00 O ATOM 671 CB GLU B 5 33.640 -8.975 3.038 1.00 0.00 C ATOM 672 CG GLU B 5 34.214 -10.239 3.682 1.00 0.00 C ATOM 673 CD GLU B 5 35.600 -9.934 4.255 1.00 0.00 C ATOM 674 OE1 GLU B 5 35.731 -8.929 4.933 1.00 0.00 O ATOM 675 OE2 GLU B 5 36.506 -10.712 4.006 1.00 0.00 O ATOM 0 H GLU B 5 31.235 -9.035 2.923 1.00 0.00 H new ATOM 0 HA GLU B 5 33.139 -8.436 5.092 1.00 0.00 H new ATOM 0 HB2 GLU B 5 33.008 -9.241 2.190 1.00 0.00 H new ATOM 0 HB3 GLU B 5 34.447 -8.352 2.651 1.00 0.00 H new ATOM 0 HG2 GLU B 5 33.551 -10.591 4.473 1.00 0.00 H new ATOM 0 HG3 GLU B 5 34.282 -11.038 2.944 1.00 0.00 H new ATOM 682 N LEU B 6 32.617 -6.172 2.763 1.00 0.00 N ATOM 683 CA LEU B 6 32.767 -4.710 2.531 1.00 0.00 C ATOM 684 C LEU B 6 31.820 -3.948 3.477 1.00 0.00 C ATOM 685 O LEU B 6 32.041 -2.798 3.803 1.00 0.00 O ATOM 686 CB LEU B 6 32.451 -4.521 1.024 1.00 0.00 C ATOM 687 CG LEU B 6 31.115 -3.803 0.780 1.00 0.00 C ATOM 688 CD1 LEU B 6 31.314 -2.295 0.922 1.00 0.00 C ATOM 689 CD2 LEU B 6 30.632 -4.106 -0.641 1.00 0.00 C ATOM 0 H LEU B 6 32.194 -6.694 1.996 1.00 0.00 H new ATOM 0 HA LEU B 6 33.759 -4.315 2.748 1.00 0.00 H new ATOM 0 HB2 LEU B 6 33.255 -3.951 0.558 1.00 0.00 H new ATOM 0 HB3 LEU B 6 32.428 -5.496 0.537 1.00 0.00 H new ATOM 0 HG LEU B 6 30.380 -4.149 1.507 1.00 0.00 H new ATOM 0 HD11 LEU B 6 30.366 -1.785 0.749 1.00 0.00 H new ATOM 0 HD12 LEU B 6 31.670 -2.068 1.927 1.00 0.00 H new ATOM 0 HD13 LEU B 6 32.048 -1.954 0.192 1.00 0.00 H new ATOM 0 HD21 LEU B 6 29.684 -3.599 -0.819 1.00 0.00 H new ATOM 0 HD22 LEU B 6 31.372 -3.754 -1.360 1.00 0.00 H new ATOM 0 HD23 LEU B 6 30.495 -5.181 -0.757 1.00 0.00 H new ATOM 701 N GLU B 7 30.783 -4.598 3.938 1.00 0.00 N ATOM 702 CA GLU B 7 29.837 -3.933 4.880 1.00 0.00 C ATOM 703 C GLU B 7 30.515 -3.735 6.234 1.00 0.00 C ATOM 704 O GLU B 7 30.531 -2.652 6.790 1.00 0.00 O ATOM 705 CB GLU B 7 28.671 -4.908 5.020 1.00 0.00 C ATOM 706 CG GLU B 7 27.550 -4.248 5.825 1.00 0.00 C ATOM 707 CD GLU B 7 27.760 -4.531 7.314 1.00 0.00 C ATOM 708 OE1 GLU B 7 27.934 -5.689 7.658 1.00 0.00 O ATOM 709 OE2 GLU B 7 27.745 -3.586 8.085 1.00 0.00 O ATOM 0 H GLU B 7 30.551 -5.563 3.702 1.00 0.00 H new ATOM 0 HA GLU B 7 29.515 -2.954 4.525 1.00 0.00 H new ATOM 0 HB2 GLU B 7 28.304 -5.197 4.035 1.00 0.00 H new ATOM 0 HB3 GLU B 7 29.003 -5.820 5.517 1.00 0.00 H new ATOM 0 HG2 GLU B 7 27.542 -3.173 5.645 1.00 0.00 H new ATOM 0 HG3 GLU B 7 26.582 -4.632 5.503 1.00 0.00 H new ATOM 716 N LYS B 8 31.076 -4.783 6.769 1.00 0.00 N ATOM 717 CA LYS B 8 31.759 -4.667 8.087 1.00 0.00 C ATOM 718 C LYS B 8 32.873 -3.632 7.995 1.00 0.00 C ATOM 719 O LYS B 8 32.994 -2.765 8.832 1.00 0.00 O ATOM 720 CB LYS B 8 32.326 -6.058 8.371 1.00 0.00 C ATOM 721 CG LYS B 8 32.282 -6.329 9.876 1.00 0.00 C ATOM 722 CD LYS B 8 31.712 -7.727 10.125 1.00 0.00 C ATOM 723 CE LYS B 8 32.305 -8.299 11.414 1.00 0.00 C ATOM 724 NZ LYS B 8 32.061 -9.766 11.328 1.00 0.00 N ATOM 0 H LYS B 8 31.091 -5.713 6.351 1.00 0.00 H new ATOM 0 HA LYS B 8 31.086 -4.344 8.882 1.00 0.00 H new ATOM 0 HB2 LYS B 8 31.749 -6.813 7.838 1.00 0.00 H new ATOM 0 HB3 LYS B 8 33.352 -6.125 8.008 1.00 0.00 H new ATOM 0 HG2 LYS B 8 33.283 -6.252 10.300 1.00 0.00 H new ATOM 0 HG3 LYS B 8 31.667 -5.580 10.374 1.00 0.00 H new ATOM 0 HD2 LYS B 8 30.626 -7.680 10.202 1.00 0.00 H new ATOM 0 HD3 LYS B 8 31.944 -8.381 9.284 1.00 0.00 H new ATOM 0 HE2 LYS B 8 33.370 -8.079 11.491 1.00 0.00 H new ATOM 0 HE3 LYS B 8 31.826 -7.869 12.294 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 32.440 -10.231 12.177 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 31.039 -9.945 11.262 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 32.534 -10.148 10.484 1.00 0.00 H new ATOM 738 N LYS B 9 33.676 -3.701 6.974 1.00 0.00 N ATOM 739 CA LYS B 9 34.764 -2.698 6.825 1.00 0.00 C ATOM 740 C LYS B 9 34.144 -1.307 6.704 1.00 0.00 C ATOM 741 O LYS B 9 34.754 -0.311 7.030 1.00 0.00 O ATOM 742 CB LYS B 9 35.486 -3.087 5.536 1.00 0.00 C ATOM 743 CG LYS B 9 36.364 -4.314 5.792 1.00 0.00 C ATOM 744 CD LYS B 9 37.798 -4.016 5.348 1.00 0.00 C ATOM 745 CE LYS B 9 38.710 -5.173 5.760 1.00 0.00 C ATOM 746 NZ LYS B 9 39.774 -5.210 4.717 1.00 0.00 N ATOM 0 H LYS B 9 33.627 -4.406 6.238 1.00 0.00 H new ATOM 0 HA LYS B 9 35.449 -2.679 7.673 1.00 0.00 H new ATOM 0 HB2 LYS B 9 34.761 -3.303 4.752 1.00 0.00 H new ATOM 0 HB3 LYS B 9 36.098 -2.256 5.184 1.00 0.00 H new ATOM 0 HG2 LYS B 9 36.346 -4.573 6.851 1.00 0.00 H new ATOM 0 HG3 LYS B 9 35.974 -5.174 5.247 1.00 0.00 H new ATOM 0 HD2 LYS B 9 37.834 -3.877 4.267 1.00 0.00 H new ATOM 0 HD3 LYS B 9 38.145 -3.087 5.800 1.00 0.00 H new ATOM 0 HE2 LYS B 9 39.133 -5.009 6.751 1.00 0.00 H new ATOM 0 HE3 LYS B 9 38.162 -6.114 5.799 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 40.441 -5.979 4.929 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 39.341 -5.374 3.785 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 40.283 -4.303 4.708 1.00 0.00 H new ATOM 760 N PHE B 10 32.928 -1.244 6.238 1.00 0.00 N ATOM 761 CA PHE B 10 32.240 0.067 6.088 1.00 0.00 C ATOM 762 C PHE B 10 32.060 0.745 7.450 1.00 0.00 C ATOM 763 O PHE B 10 32.626 1.788 7.714 1.00 0.00 O ATOM 764 CB PHE B 10 30.876 -0.291 5.484 1.00 0.00 C ATOM 765 CG PHE B 10 30.298 0.887 4.739 1.00 0.00 C ATOM 766 CD1 PHE B 10 30.835 1.271 3.491 1.00 0.00 C ATOM 767 CD2 PHE B 10 29.199 1.591 5.282 1.00 0.00 C ATOM 768 CE1 PHE B 10 30.272 2.357 2.784 1.00 0.00 C ATOM 769 CE2 PHE B 10 28.639 2.680 4.578 1.00 0.00 C ATOM 770 CZ PHE B 10 29.173 3.060 3.327 1.00 0.00 C ATOM 0 H PHE B 10 32.377 -2.053 5.952 1.00 0.00 H new ATOM 0 HA PHE B 10 32.805 0.764 5.469 1.00 0.00 H new ATOM 0 HB2 PHE B 10 30.983 -1.139 4.807 1.00 0.00 H new ATOM 0 HB3 PHE B 10 30.192 -0.599 6.275 1.00 0.00 H new ATOM 0 HD1 PHE B 10 31.676 0.735 3.077 1.00 0.00 H new ATOM 0 HD2 PHE B 10 28.787 1.296 6.236 1.00 0.00 H new ATOM 0 HE1 PHE B 10 30.682 2.650 1.829 1.00 0.00 H new ATOM 0 HE2 PHE B 10 27.803 3.222 4.996 1.00 0.00 H new ATOM 0 HZ PHE B 10 28.741 3.888 2.785 1.00 0.00 H new ATOM 780 N LYS B 11 31.269 0.171 8.314 1.00 0.00 N ATOM 781 CA LYS B 11 31.040 0.805 9.648 1.00 0.00 C ATOM 782 C LYS B 11 32.338 0.895 10.455 1.00 0.00 C ATOM 783 O LYS B 11 32.568 1.849 11.175 1.00 0.00 O ATOM 784 CB LYS B 11 30.039 -0.112 10.343 1.00 0.00 C ATOM 785 CG LYS B 11 29.731 0.423 11.744 1.00 0.00 C ATOM 786 CD LYS B 11 28.578 1.425 11.664 1.00 0.00 C ATOM 787 CE LYS B 11 28.590 2.316 12.908 1.00 0.00 C ATOM 788 NZ LYS B 11 27.200 2.246 13.440 1.00 0.00 N ATOM 0 H LYS B 11 30.772 -0.706 8.157 1.00 0.00 H new ATOM 0 HA LYS B 11 30.675 1.828 9.552 1.00 0.00 H new ATOM 0 HB2 LYS B 11 29.122 -0.174 9.758 1.00 0.00 H new ATOM 0 HB3 LYS B 11 30.443 -1.122 10.410 1.00 0.00 H new ATOM 0 HG2 LYS B 11 29.467 -0.399 12.409 1.00 0.00 H new ATOM 0 HG3 LYS B 11 30.615 0.902 12.165 1.00 0.00 H new ATOM 0 HD2 LYS B 11 28.674 2.035 10.766 1.00 0.00 H new ATOM 0 HD3 LYS B 11 27.627 0.897 11.591 1.00 0.00 H new ATOM 0 HE2 LYS B 11 29.313 1.960 13.642 1.00 0.00 H new ATOM 0 HE3 LYS B 11 28.867 3.340 12.658 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 27.126 2.832 14.296 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 26.535 2.597 12.721 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 26.967 1.260 13.675 1.00 0.00 H new ATOM 802 N GLU B 12 33.182 -0.087 10.351 1.00 0.00 N ATOM 803 CA GLU B 12 34.455 -0.056 11.124 1.00 0.00 C ATOM 804 C GLU B 12 35.390 1.010 10.561 1.00 0.00 C ATOM 805 O GLU B 12 36.265 1.502 11.245 1.00 0.00 O ATOM 806 CB GLU B 12 35.062 -1.448 10.955 1.00 0.00 C ATOM 807 CG GLU B 12 35.147 -2.136 12.319 1.00 0.00 C ATOM 808 CD GLU B 12 33.753 -2.603 12.742 1.00 0.00 C ATOM 809 OE1 GLU B 12 32.846 -1.786 12.726 1.00 0.00 O ATOM 810 OE2 GLU B 12 33.615 -3.768 13.074 1.00 0.00 O ATOM 0 H GLU B 12 33.048 -0.911 9.765 1.00 0.00 H new ATOM 0 HA GLU B 12 34.292 0.189 12.173 1.00 0.00 H new ATOM 0 HB2 GLU B 12 34.453 -2.042 10.274 1.00 0.00 H new ATOM 0 HB3 GLU B 12 36.055 -1.372 10.511 1.00 0.00 H new ATOM 0 HG2 GLU B 12 35.827 -2.986 12.268 1.00 0.00 H new ATOM 0 HG3 GLU B 12 35.552 -1.448 13.061 1.00 0.00 H new ATOM 817 N LEU B 13 35.214 1.379 9.323 1.00 0.00 N ATOM 818 CA LEU B 13 36.102 2.418 8.741 1.00 0.00 C ATOM 819 C LEU B 13 35.660 3.803 9.221 1.00 0.00 C ATOM 820 O LEU B 13 36.477 4.655 9.514 1.00 0.00 O ATOM 821 CB LEU B 13 35.946 2.269 7.228 1.00 0.00 C ATOM 822 CG LEU B 13 37.052 1.356 6.699 1.00 0.00 C ATOM 823 CD1 LEU B 13 36.881 1.166 5.195 1.00 0.00 C ATOM 824 CD2 LEU B 13 38.413 1.997 6.970 1.00 0.00 C ATOM 0 H LEU B 13 34.500 1.009 8.695 1.00 0.00 H new ATOM 0 HA LEU B 13 37.144 2.304 9.041 1.00 0.00 H new ATOM 0 HB2 LEU B 13 34.968 1.851 6.990 1.00 0.00 H new ATOM 0 HB3 LEU B 13 36.002 3.245 6.746 1.00 0.00 H new ATOM 0 HG LEU B 13 36.993 0.390 7.200 1.00 0.00 H new ATOM 0 HD11 LEU B 13 37.670 0.515 4.818 1.00 0.00 H new ATOM 0 HD12 LEU B 13 35.910 0.713 4.993 1.00 0.00 H new ATOM 0 HD13 LEU B 13 36.941 2.134 4.697 1.00 0.00 H new ATOM 0 HD21 LEU B 13 39.203 1.347 6.593 1.00 0.00 H new ATOM 0 HD22 LEU B 13 38.467 2.963 6.467 1.00 0.00 H new ATOM 0 HD23 LEU B 13 38.541 2.139 8.043 1.00 0.00 H new ATOM 836 N TRP B 14 34.378 4.038 9.320 1.00 0.00 N ATOM 837 CA TRP B 14 33.906 5.373 9.802 1.00 0.00 C ATOM 838 C TRP B 14 34.374 5.592 11.237 1.00 0.00 C ATOM 839 O TRP B 14 34.947 6.609 11.572 1.00 0.00 O ATOM 840 CB TRP B 14 32.381 5.303 9.777 1.00 0.00 C ATOM 841 CG TRP B 14 31.842 6.173 8.691 1.00 0.00 C ATOM 842 CD1 TRP B 14 31.650 7.515 8.764 1.00 0.00 C ATOM 843 CD2 TRP B 14 31.416 5.774 7.370 1.00 0.00 C ATOM 844 NE1 TRP B 14 31.119 7.958 7.569 1.00 0.00 N ATOM 845 CE2 TRP B 14 30.958 6.926 6.674 1.00 0.00 C ATOM 846 CE3 TRP B 14 31.380 4.527 6.708 1.00 0.00 C ATOM 847 CZ2 TRP B 14 30.477 6.844 5.363 1.00 0.00 C ATOM 848 CZ3 TRP B 14 30.902 4.435 5.385 1.00 0.00 C ATOM 849 CH2 TRP B 14 30.449 5.594 4.711 1.00 0.00 C ATOM 0 H TRP B 14 33.642 3.371 9.091 1.00 0.00 H new ATOM 0 HA TRP B 14 34.291 6.186 9.186 1.00 0.00 H new ATOM 0 HB2 TRP B 14 32.060 4.273 9.621 1.00 0.00 H new ATOM 0 HB3 TRP B 14 31.979 5.620 10.740 1.00 0.00 H new ATOM 0 HD1 TRP B 14 31.876 8.136 9.619 1.00 0.00 H new ATOM 0 HE1 TRP B 14 30.876 8.929 7.374 1.00 0.00 H new ATOM 0 HE3 TRP B 14 31.721 3.638 7.218 1.00 0.00 H new ATOM 0 HZ2 TRP B 14 30.130 7.731 4.854 1.00 0.00 H new ATOM 0 HZ3 TRP B 14 30.881 3.478 4.885 1.00 0.00 H new ATOM 0 HH2 TRP B 14 30.082 5.521 3.698 1.00 0.00 H new ATOM 860 N LYS B 15 34.120 4.638 12.088 1.00 0.00 N ATOM 861 CA LYS B 15 34.532 4.774 13.508 1.00 0.00 C ATOM 862 C LYS B 15 35.880 4.084 13.728 1.00 0.00 C ATOM 863 O LYS B 15 35.955 2.886 13.917 1.00 0.00 O ATOM 864 CB LYS B 15 33.417 4.081 14.288 1.00 0.00 C ATOM 865 CG LYS B 15 33.783 4.017 15.773 1.00 0.00 C ATOM 866 CD LYS B 15 33.584 5.396 16.406 1.00 0.00 C ATOM 867 CE LYS B 15 32.385 5.352 17.356 1.00 0.00 C ATOM 868 NZ LYS B 15 32.313 6.720 17.943 1.00 0.00 N ATOM 0 H LYS B 15 33.642 3.767 11.858 1.00 0.00 H new ATOM 0 HA LYS B 15 34.664 5.810 13.822 1.00 0.00 H new ATOM 0 HB2 LYS B 15 32.480 4.622 14.158 1.00 0.00 H new ATOM 0 HB3 LYS B 15 33.260 3.075 13.899 1.00 0.00 H new ATOM 0 HG2 LYS B 15 33.162 3.279 16.280 1.00 0.00 H new ATOM 0 HG3 LYS B 15 34.818 3.697 15.890 1.00 0.00 H new ATOM 0 HD2 LYS B 15 34.482 5.692 16.949 1.00 0.00 H new ATOM 0 HD3 LYS B 15 33.420 6.144 15.630 1.00 0.00 H new ATOM 0 HE2 LYS B 15 31.468 5.101 16.823 1.00 0.00 H new ATOM 0 HE3 LYS B 15 32.521 4.596 18.130 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 31.514 6.771 18.607 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 33.198 6.928 18.449 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 32.177 7.417 17.183 1.00 0.00 H new ATOM 882 N GLY B 16 36.946 4.835 13.690 1.00 0.00 N ATOM 883 CA GLY B 16 38.294 4.234 13.881 1.00 0.00 C ATOM 884 C GLY B 16 39.301 4.984 13.001 1.00 0.00 C ATOM 885 O GLY B 16 39.954 5.903 13.452 1.00 0.00 O ATOM 0 H GLY B 16 36.940 5.843 13.534 1.00 0.00 H new ATOM 0 HA2 GLY B 16 38.589 4.296 14.928 1.00 0.00 H new ATOM 0 HA3 GLY B 16 38.276 3.177 13.617 1.00 0.00 H new ATOM 889 N PRO B 17 39.385 4.564 11.765 1.00 0.00 N ATOM 890 CA PRO B 17 40.313 5.204 10.806 1.00 0.00 C ATOM 891 C PRO B 17 39.707 6.513 10.281 1.00 0.00 C ATOM 892 O PRO B 17 38.831 7.088 10.896 1.00 0.00 O ATOM 893 CB PRO B 17 40.437 4.166 9.689 1.00 0.00 C ATOM 894 CG PRO B 17 39.176 3.357 9.751 1.00 0.00 C ATOM 895 CD PRO B 17 38.632 3.460 11.156 1.00 0.00 C ATOM 0 HA PRO B 17 41.277 5.469 11.241 1.00 0.00 H new ATOM 0 HB2 PRO B 17 40.547 4.647 8.717 1.00 0.00 H new ATOM 0 HB3 PRO B 17 41.315 3.536 9.834 1.00 0.00 H new ATOM 0 HG2 PRO B 17 38.447 3.729 9.031 1.00 0.00 H new ATOM 0 HG3 PRO B 17 39.376 2.317 9.494 1.00 0.00 H new ATOM 0 HD2 PRO B 17 37.561 3.665 11.153 1.00 0.00 H new ATOM 0 HD3 PRO B 17 38.777 2.530 11.706 1.00 0.00 H new ATOM 903 N ARG B 18 40.168 6.981 9.151 1.00 0.00 N ATOM 904 CA ARG B 18 39.621 8.248 8.566 1.00 0.00 C ATOM 905 C ARG B 18 38.088 8.198 8.517 1.00 0.00 C ATOM 906 O ARG B 18 37.478 7.242 8.948 1.00 0.00 O ATOM 907 CB ARG B 18 40.190 8.307 7.142 1.00 0.00 C ATOM 908 CG ARG B 18 40.017 6.944 6.459 1.00 0.00 C ATOM 909 CD ARG B 18 39.390 7.125 5.079 1.00 0.00 C ATOM 910 NE ARG B 18 40.473 6.750 4.127 1.00 0.00 N ATOM 911 CZ ARG B 18 41.407 7.614 3.827 1.00 0.00 C ATOM 912 NH1 ARG B 18 42.444 7.751 4.607 1.00 0.00 N ATOM 913 NH2 ARG B 18 41.306 8.339 2.747 1.00 0.00 N ATOM 0 H ARG B 18 40.905 6.539 8.602 1.00 0.00 H new ATOM 0 HA ARG B 18 39.895 9.121 9.158 1.00 0.00 H new ATOM 0 HB2 ARG B 18 39.679 9.080 6.568 1.00 0.00 H new ATOM 0 HB3 ARG B 18 41.245 8.578 7.173 1.00 0.00 H new ATOM 0 HG2 ARG B 18 40.984 6.450 6.366 1.00 0.00 H new ATOM 0 HG3 ARG B 18 39.387 6.299 7.071 1.00 0.00 H new ATOM 0 HD2 ARG B 18 38.514 6.489 4.954 1.00 0.00 H new ATOM 0 HD3 ARG B 18 39.062 8.153 4.923 1.00 0.00 H new ATOM 0 HE ARG B 18 40.486 5.819 3.709 1.00 0.00 H new ATOM 0 HH11 ARG B 18 42.526 7.184 5.451 1.00 0.00 H new ATOM 0 HH12 ARG B 18 43.173 8.425 4.373 1.00 0.00 H new ATOM 0 HH21 ARG B 18 40.497 8.232 2.135 1.00 0.00 H new ATOM 0 HH22 ARG B 18 42.036 9.013 2.515 1.00 0.00 H new ATOM 927 N ARG B 19 37.458 9.218 7.992 1.00 0.00 N ATOM 928 CA ARG B 19 35.966 9.206 7.924 1.00 0.00 C ATOM 929 C ARG B 19 35.456 10.045 6.748 1.00 0.00 C ATOM 930 O ARG B 19 34.672 9.584 5.944 1.00 0.00 O ATOM 931 CB ARG B 19 35.501 9.809 9.250 1.00 0.00 C ATOM 932 CG ARG B 19 33.973 9.910 9.257 1.00 0.00 C ATOM 933 CD ARG B 19 33.559 11.379 9.368 1.00 0.00 C ATOM 934 NE ARG B 19 32.069 11.357 9.340 1.00 0.00 N ATOM 935 CZ ARG B 19 31.407 12.417 8.962 1.00 0.00 C ATOM 936 NH1 ARG B 19 31.742 13.592 9.418 1.00 0.00 N ATOM 937 NH2 ARG B 19 30.410 12.300 8.128 1.00 0.00 N ATOM 0 H ARG B 19 37.907 10.051 7.611 1.00 0.00 H new ATOM 0 HA ARG B 19 35.582 8.198 7.770 1.00 0.00 H new ATOM 0 HB2 ARG B 19 35.839 9.190 10.081 1.00 0.00 H new ATOM 0 HB3 ARG B 19 35.942 10.796 9.387 1.00 0.00 H new ATOM 0 HG2 ARG B 19 33.565 9.474 8.345 1.00 0.00 H new ATOM 0 HG3 ARG B 19 33.564 9.342 10.093 1.00 0.00 H new ATOM 0 HD2 ARG B 19 33.931 11.826 10.290 1.00 0.00 H new ATOM 0 HD3 ARG B 19 33.962 11.967 8.543 1.00 0.00 H new ATOM 0 HE ARG B 19 31.566 10.514 9.616 1.00 0.00 H new ATOM 0 HH11 ARG B 19 32.521 13.683 10.070 1.00 0.00 H new ATOM 0 HH12 ARG B 19 31.225 14.420 9.123 1.00 0.00 H new ATOM 0 HH21 ARG B 19 30.148 11.381 7.772 1.00 0.00 H new ATOM 0 HH22 ARG B 19 29.893 13.128 7.832 1.00 0.00 H new ATOM 951 N GLY B 20 35.879 11.273 6.644 1.00 0.00 N ATOM 952 CA GLY B 20 35.398 12.131 5.523 1.00 0.00 C ATOM 953 C GLY B 20 35.636 11.426 4.184 1.00 0.00 C ATOM 954 O GLY B 20 34.824 11.496 3.282 1.00 0.00 O ATOM 0 H GLY B 20 36.535 11.720 7.284 1.00 0.00 H new ATOM 0 HA2 GLY B 20 34.336 12.344 5.647 1.00 0.00 H new ATOM 0 HA3 GLY B 20 35.919 13.088 5.537 1.00 0.00 H new ATOM 958 N GLU B 21 36.746 10.756 4.042 1.00 0.00 N ATOM 959 CA GLU B 21 37.036 10.059 2.756 1.00 0.00 C ATOM 960 C GLU B 21 36.172 8.800 2.606 1.00 0.00 C ATOM 961 O GLU B 21 35.869 8.379 1.507 1.00 0.00 O ATOM 962 CB GLU B 21 38.515 9.690 2.836 1.00 0.00 C ATOM 963 CG GLU B 21 39.333 10.690 2.018 1.00 0.00 C ATOM 964 CD GLU B 21 40.203 11.525 2.959 1.00 0.00 C ATOM 965 OE1 GLU B 21 39.646 12.312 3.706 1.00 0.00 O ATOM 966 OE2 GLU B 21 41.412 11.364 2.916 1.00 0.00 O ATOM 0 H GLU B 21 37.465 10.661 4.760 1.00 0.00 H new ATOM 0 HA GLU B 21 36.813 10.687 1.893 1.00 0.00 H new ATOM 0 HB2 GLU B 21 38.847 9.695 3.874 1.00 0.00 H new ATOM 0 HB3 GLU B 21 38.670 8.680 2.457 1.00 0.00 H new ATOM 0 HG2 GLU B 21 39.959 10.162 1.299 1.00 0.00 H new ATOM 0 HG3 GLU B 21 38.669 11.339 1.447 1.00 0.00 H new ATOM 973 N ILE B 22 35.766 8.198 3.691 1.00 0.00 N ATOM 974 CA ILE B 22 34.917 6.972 3.578 1.00 0.00 C ATOM 975 C ILE B 22 33.538 7.356 3.057 1.00 0.00 C ATOM 976 O ILE B 22 33.040 6.799 2.101 1.00 0.00 O ATOM 977 CB ILE B 22 34.797 6.400 4.990 1.00 0.00 C ATOM 978 CG1 ILE B 22 36.187 6.239 5.612 1.00 0.00 C ATOM 979 CG2 ILE B 22 34.106 5.034 4.909 1.00 0.00 C ATOM 980 CD1 ILE B 22 36.062 5.600 6.995 1.00 0.00 C ATOM 0 H ILE B 22 35.981 8.496 4.642 1.00 0.00 H new ATOM 0 HA ILE B 22 35.351 6.244 2.892 1.00 0.00 H new ATOM 0 HB ILE B 22 34.213 7.078 5.612 1.00 0.00 H new ATOM 0 HG12 ILE B 22 36.814 5.620 4.970 1.00 0.00 H new ATOM 0 HG13 ILE B 22 36.675 7.210 5.692 1.00 0.00 H new ATOM 0 HG21 ILE B 22 34.013 4.613 5.910 1.00 0.00 H new ATOM 0 HG22 ILE B 22 33.114 5.153 4.472 1.00 0.00 H new ATOM 0 HG23 ILE B 22 34.698 4.363 4.287 1.00 0.00 H new ATOM 0 HD11 ILE B 22 37.053 5.487 7.435 1.00 0.00 H new ATOM 0 HD12 ILE B 22 35.451 6.236 7.636 1.00 0.00 H new ATOM 0 HD13 ILE B 22 35.592 4.621 6.902 1.00 0.00 H new ATOM 992 N GLU B 23 32.918 8.314 3.679 1.00 0.00 N ATOM 993 CA GLU B 23 31.579 8.748 3.219 1.00 0.00 C ATOM 994 C GLU B 23 31.699 9.288 1.791 1.00 0.00 C ATOM 995 O GLU B 23 30.809 9.126 0.972 1.00 0.00 O ATOM 996 CB GLU B 23 31.166 9.812 4.240 1.00 0.00 C ATOM 997 CG GLU B 23 29.744 10.283 3.964 1.00 0.00 C ATOM 998 CD GLU B 23 29.768 11.731 3.470 1.00 0.00 C ATOM 999 OE1 GLU B 23 30.786 12.137 2.935 1.00 0.00 O ATOM 1000 OE2 GLU B 23 28.766 12.408 3.634 1.00 0.00 O ATOM 0 H GLU B 23 33.283 8.816 4.488 1.00 0.00 H new ATOM 0 HA GLU B 23 30.831 7.957 3.172 1.00 0.00 H new ATOM 0 HB2 GLU B 23 31.232 9.404 5.248 1.00 0.00 H new ATOM 0 HB3 GLU B 23 31.852 10.657 4.193 1.00 0.00 H new ATOM 0 HG2 GLU B 23 29.276 9.641 3.217 1.00 0.00 H new ATOM 0 HG3 GLU B 23 29.143 10.208 4.870 1.00 0.00 H new ATOM 1007 N GLU B 24 32.819 9.875 1.461 1.00 0.00 N ATOM 1008 CA GLU B 24 33.004 10.357 0.068 1.00 0.00 C ATOM 1009 C GLU B 24 32.952 9.139 -0.853 1.00 0.00 C ATOM 1010 O GLU B 24 32.444 9.189 -1.957 1.00 0.00 O ATOM 1011 CB GLU B 24 34.389 11.005 0.041 1.00 0.00 C ATOM 1012 CG GLU B 24 34.700 11.486 -1.378 1.00 0.00 C ATOM 1013 CD GLU B 24 36.193 11.308 -1.662 1.00 0.00 C ATOM 1014 OE1 GLU B 24 36.700 10.228 -1.407 1.00 0.00 O ATOM 1015 OE2 GLU B 24 36.805 12.256 -2.128 1.00 0.00 O ATOM 0 H GLU B 24 33.604 10.039 2.091 1.00 0.00 H new ATOM 0 HA GLU B 24 32.243 11.068 -0.255 1.00 0.00 H new ATOM 0 HB2 GLU B 24 34.423 11.844 0.736 1.00 0.00 H new ATOM 0 HB3 GLU B 24 35.144 10.289 0.367 1.00 0.00 H new ATOM 0 HG2 GLU B 24 34.112 10.922 -2.102 1.00 0.00 H new ATOM 0 HG3 GLU B 24 34.421 12.534 -1.488 1.00 0.00 H new ATOM 1022 N LEU B 25 33.458 8.033 -0.376 1.00 0.00 N ATOM 1023 CA LEU B 25 33.433 6.776 -1.176 1.00 0.00 C ATOM 1024 C LEU B 25 31.985 6.337 -1.378 1.00 0.00 C ATOM 1025 O LEU B 25 31.629 5.790 -2.399 1.00 0.00 O ATOM 1026 CB LEU B 25 34.176 5.744 -0.326 1.00 0.00 C ATOM 1027 CG LEU B 25 34.510 4.520 -1.181 1.00 0.00 C ATOM 1028 CD1 LEU B 25 35.523 4.904 -2.260 1.00 0.00 C ATOM 1029 CD2 LEU B 25 35.101 3.424 -0.292 1.00 0.00 C ATOM 0 H LEU B 25 33.892 7.947 0.543 1.00 0.00 H new ATOM 0 HA LEU B 25 33.889 6.898 -2.158 1.00 0.00 H new ATOM 0 HB2 LEU B 25 35.091 6.180 0.076 1.00 0.00 H new ATOM 0 HB3 LEU B 25 33.562 5.449 0.525 1.00 0.00 H new ATOM 0 HG LEU B 25 33.600 4.153 -1.657 1.00 0.00 H new ATOM 0 HD11 LEU B 25 35.758 4.029 -2.866 1.00 0.00 H new ATOM 0 HD12 LEU B 25 35.101 5.683 -2.895 1.00 0.00 H new ATOM 0 HD13 LEU B 25 36.434 5.274 -1.789 1.00 0.00 H new ATOM 0 HD21 LEU B 25 35.339 2.551 -0.900 1.00 0.00 H new ATOM 0 HD22 LEU B 25 36.009 3.793 0.185 1.00 0.00 H new ATOM 0 HD23 LEU B 25 34.376 3.146 0.473 1.00 0.00 H new ATOM 1041 N HIS B 26 31.148 6.581 -0.405 1.00 0.00 N ATOM 1042 CA HIS B 26 29.715 6.190 -0.532 1.00 0.00 C ATOM 1043 C HIS B 26 29.075 6.972 -1.679 1.00 0.00 C ATOM 1044 O HIS B 26 28.215 6.476 -2.377 1.00 0.00 O ATOM 1045 CB HIS B 26 29.078 6.552 0.808 1.00 0.00 C ATOM 1046 CG HIS B 26 27.597 6.318 0.732 1.00 0.00 C ATOM 1047 ND1 HIS B 26 27.051 5.072 0.470 1.00 0.00 N ATOM 1048 CD2 HIS B 26 26.538 7.169 0.877 1.00 0.00 C ATOM 1049 CE1 HIS B 26 25.712 5.212 0.466 1.00 0.00 C ATOM 1050 NE2 HIS B 26 25.346 6.472 0.709 1.00 0.00 N ATOM 0 H HIS B 26 31.396 7.035 0.474 1.00 0.00 H new ATOM 0 HA HIS B 26 29.584 5.131 -0.754 1.00 0.00 H new ATOM 0 HB2 HIS B 26 29.513 5.949 1.605 1.00 0.00 H new ATOM 0 HB3 HIS B 26 29.281 7.595 1.050 1.00 0.00 H new ATOM 0 HD1 HIS B 26 27.568 4.208 0.310 1.00 0.00 H new ATOM 0 HD2 HIS B 26 26.615 8.225 1.090 1.00 0.00 H new ATOM 0 HE1 HIS B 26 25.019 4.403 0.288 1.00 0.00 H new ATOM 1058 N LYS B 27 29.494 8.186 -1.894 1.00 0.00 N ATOM 1059 CA LYS B 27 28.909 8.965 -3.022 1.00 0.00 C ATOM 1060 C LYS B 27 29.374 8.341 -4.342 1.00 0.00 C ATOM 1061 O LYS B 27 28.589 8.089 -5.238 1.00 0.00 O ATOM 1062 CB LYS B 27 29.455 10.384 -2.863 1.00 0.00 C ATOM 1063 CG LYS B 27 29.055 10.932 -1.492 1.00 0.00 C ATOM 1064 CD LYS B 27 27.829 11.836 -1.643 1.00 0.00 C ATOM 1065 CE LYS B 27 27.860 12.920 -0.565 1.00 0.00 C ATOM 1066 NZ LYS B 27 26.666 13.767 -0.842 1.00 0.00 N ATOM 0 H LYS B 27 30.206 8.669 -1.347 1.00 0.00 H new ATOM 0 HA LYS B 27 27.819 8.967 -3.021 1.00 0.00 H new ATOM 0 HB2 LYS B 27 30.540 10.381 -2.963 1.00 0.00 H new ATOM 0 HB3 LYS B 27 29.064 11.026 -3.652 1.00 0.00 H new ATOM 0 HG2 LYS B 27 28.833 10.111 -0.811 1.00 0.00 H new ATOM 0 HG3 LYS B 27 29.882 11.493 -1.057 1.00 0.00 H new ATOM 0 HD2 LYS B 27 27.820 12.292 -2.633 1.00 0.00 H new ATOM 0 HD3 LYS B 27 26.916 11.247 -1.555 1.00 0.00 H new ATOM 0 HE2 LYS B 27 27.814 12.486 0.434 1.00 0.00 H new ATOM 0 HE3 LYS B 27 28.779 13.503 -0.617 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 26.616 14.536 -0.143 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 26.741 14.171 -1.797 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 25.806 13.186 -0.779 1.00 0.00 H new ATOM 1080 N LYS B 28 30.648 8.069 -4.458 1.00 0.00 N ATOM 1081 CA LYS B 28 31.165 7.439 -5.707 1.00 0.00 C ATOM 1082 C LYS B 28 30.522 6.060 -5.887 1.00 0.00 C ATOM 1083 O LYS B 28 30.403 5.554 -6.985 1.00 0.00 O ATOM 1084 CB LYS B 28 32.674 7.307 -5.492 1.00 0.00 C ATOM 1085 CG LYS B 28 33.390 7.382 -6.842 1.00 0.00 C ATOM 1086 CD LYS B 28 34.085 8.739 -6.976 1.00 0.00 C ATOM 1087 CE LYS B 28 35.575 8.582 -6.666 1.00 0.00 C ATOM 1088 NZ LYS B 28 36.263 9.490 -7.626 1.00 0.00 N ATOM 0 H LYS B 28 31.351 8.256 -3.743 1.00 0.00 H new ATOM 0 HA LYS B 28 30.937 8.023 -6.599 1.00 0.00 H new ATOM 0 HB2 LYS B 28 33.029 8.101 -4.835 1.00 0.00 H new ATOM 0 HB3 LYS B 28 32.901 6.361 -5.000 1.00 0.00 H new ATOM 0 HG2 LYS B 28 34.121 6.577 -6.923 1.00 0.00 H new ATOM 0 HG3 LYS B 28 32.675 7.246 -7.653 1.00 0.00 H new ATOM 0 HD2 LYS B 28 33.952 9.130 -7.985 1.00 0.00 H new ATOM 0 HD3 LYS B 28 33.635 9.459 -6.293 1.00 0.00 H new ATOM 0 HE2 LYS B 28 35.795 8.857 -5.635 1.00 0.00 H new ATOM 0 HE3 LYS B 28 35.899 7.550 -6.797 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 37.291 9.439 -7.476 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 36.040 9.200 -8.599 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 35.939 10.466 -7.473 1.00 0.00 H new ATOM 1102 N PHE B 29 30.085 5.463 -4.810 1.00 0.00 N ATOM 1103 CA PHE B 29 29.424 4.131 -4.902 1.00 0.00 C ATOM 1104 C PHE B 29 28.091 4.298 -5.619 1.00 0.00 C ATOM 1105 O PHE B 29 27.848 3.707 -6.651 1.00 0.00 O ATOM 1106 CB PHE B 29 29.200 3.698 -3.447 1.00 0.00 C ATOM 1107 CG PHE B 29 30.438 3.041 -2.856 1.00 0.00 C ATOM 1108 CD1 PHE B 29 31.657 2.963 -3.581 1.00 0.00 C ATOM 1109 CD2 PHE B 29 30.361 2.491 -1.558 1.00 0.00 C ATOM 1110 CE1 PHE B 29 32.783 2.337 -3.003 1.00 0.00 C ATOM 1111 CE2 PHE B 29 31.488 1.869 -0.982 1.00 0.00 C ATOM 1112 CZ PHE B 29 32.699 1.790 -1.704 1.00 0.00 C ATOM 0 H PHE B 29 30.158 5.844 -3.867 1.00 0.00 H new ATOM 0 HA PHE B 29 30.012 3.396 -5.451 1.00 0.00 H new ATOM 0 HB2 PHE B 29 28.928 4.566 -2.847 1.00 0.00 H new ATOM 0 HB3 PHE B 29 28.362 3.003 -3.400 1.00 0.00 H new ATOM 0 HD1 PHE B 29 31.723 3.382 -4.574 1.00 0.00 H new ATOM 0 HD2 PHE B 29 29.436 2.547 -1.004 1.00 0.00 H new ATOM 0 HE1 PHE B 29 33.709 2.277 -3.555 1.00 0.00 H new ATOM 0 HE2 PHE B 29 31.425 1.453 0.012 1.00 0.00 H new ATOM 0 HZ PHE B 29 33.561 1.311 -1.263 1.00 0.00 H new ATOM 1122 N HIS B 30 27.235 5.118 -5.079 1.00 0.00 N ATOM 1123 CA HIS B 30 25.910 5.358 -5.714 1.00 0.00 C ATOM 1124 C HIS B 30 26.087 5.722 -7.191 1.00 0.00 C ATOM 1125 O HIS B 30 25.228 5.467 -8.011 1.00 0.00 O ATOM 1126 CB HIS B 30 25.325 6.541 -4.940 1.00 0.00 C ATOM 1127 CG HIS B 30 23.839 6.603 -5.161 1.00 0.00 C ATOM 1128 ND1 HIS B 30 22.930 6.451 -4.126 1.00 0.00 N ATOM 1129 CD2 HIS B 30 23.088 6.801 -6.294 1.00 0.00 C ATOM 1130 CE1 HIS B 30 21.695 6.560 -4.652 1.00 0.00 C ATOM 1131 NE2 HIS B 30 21.735 6.774 -5.969 1.00 0.00 N ATOM 0 H HIS B 30 27.398 5.637 -4.216 1.00 0.00 H new ATOM 0 HA HIS B 30 25.266 4.479 -5.681 1.00 0.00 H new ATOM 0 HB2 HIS B 30 25.541 6.435 -3.877 1.00 0.00 H new ATOM 0 HB3 HIS B 30 25.791 7.470 -5.269 1.00 0.00 H new ATOM 0 HD1 HIS B 30 23.155 6.287 -3.145 1.00 0.00 H new ATOM 0 HD2 HIS B 30 23.487 6.954 -7.286 1.00 0.00 H new ATOM 0 HE1 HIS B 30 20.783 6.484 -4.078 1.00 0.00 H new ATOM 1139 N GLU B 31 27.191 6.328 -7.533 1.00 0.00 N ATOM 1140 CA GLU B 31 27.416 6.723 -8.955 1.00 0.00 C ATOM 1141 C GLU B 31 27.869 5.527 -9.804 1.00 0.00 C ATOM 1142 O GLU B 31 27.559 5.443 -10.975 1.00 0.00 O ATOM 1143 CB GLU B 31 28.517 7.781 -8.897 1.00 0.00 C ATOM 1144 CG GLU B 31 27.915 9.158 -9.185 1.00 0.00 C ATOM 1145 CD GLU B 31 28.661 10.221 -8.376 1.00 0.00 C ATOM 1146 OE1 GLU B 31 28.879 9.995 -7.196 1.00 0.00 O ATOM 1147 OE2 GLU B 31 29.002 11.243 -8.949 1.00 0.00 O ATOM 0 H GLU B 31 27.947 6.567 -6.891 1.00 0.00 H new ATOM 0 HA GLU B 31 26.502 7.094 -9.417 1.00 0.00 H new ATOM 0 HB2 GLU B 31 28.989 7.777 -7.915 1.00 0.00 H new ATOM 0 HB3 GLU B 31 29.295 7.552 -9.626 1.00 0.00 H new ATOM 0 HG2 GLU B 31 27.984 9.381 -10.250 1.00 0.00 H new ATOM 0 HG3 GLU B 31 26.856 9.165 -8.926 1.00 0.00 H new ATOM 1154 N LEU B 32 28.614 4.614 -9.240 1.00 0.00 N ATOM 1155 CA LEU B 32 29.089 3.453 -10.046 1.00 0.00 C ATOM 1156 C LEU B 32 28.071 2.296 -10.021 1.00 0.00 C ATOM 1157 O LEU B 32 28.245 1.300 -10.696 1.00 0.00 O ATOM 1158 CB LEU B 32 30.443 3.063 -9.411 1.00 0.00 C ATOM 1159 CG LEU B 32 30.267 2.030 -8.287 1.00 0.00 C ATOM 1160 CD1 LEU B 32 30.512 0.626 -8.847 1.00 0.00 C ATOM 1161 CD2 LEU B 32 31.275 2.307 -7.170 1.00 0.00 C ATOM 0 H LEU B 32 28.912 4.621 -8.265 1.00 0.00 H new ATOM 0 HA LEU B 32 29.201 3.698 -11.102 1.00 0.00 H new ATOM 0 HB2 LEU B 32 31.101 2.657 -10.179 1.00 0.00 H new ATOM 0 HB3 LEU B 32 30.929 3.954 -9.013 1.00 0.00 H new ATOM 0 HG LEU B 32 29.255 2.099 -7.889 1.00 0.00 H new ATOM 0 HD11 LEU B 32 30.388 -0.109 -8.052 1.00 0.00 H new ATOM 0 HD12 LEU B 32 29.797 0.423 -9.644 1.00 0.00 H new ATOM 0 HD13 LEU B 32 31.525 0.564 -9.244 1.00 0.00 H new ATOM 0 HD21 LEU B 32 31.148 1.573 -6.375 1.00 0.00 H new ATOM 0 HD22 LEU B 32 32.287 2.239 -7.568 1.00 0.00 H new ATOM 0 HD23 LEU B 32 31.109 3.307 -6.770 1.00 0.00 H new ATOM 1173 N ILE B 33 27.018 2.409 -9.254 1.00 0.00 N ATOM 1174 CA ILE B 33 26.018 1.295 -9.209 1.00 0.00 C ATOM 1175 C ILE B 33 24.607 1.811 -9.530 1.00 0.00 C ATOM 1176 O ILE B 33 23.678 1.042 -9.679 1.00 0.00 O ATOM 1177 CB ILE B 33 26.095 0.738 -7.782 1.00 0.00 C ATOM 1178 CG1 ILE B 33 25.530 1.770 -6.791 1.00 0.00 C ATOM 1179 CG2 ILE B 33 27.562 0.426 -7.458 1.00 0.00 C ATOM 1180 CD1 ILE B 33 25.800 1.340 -5.342 1.00 0.00 C ATOM 0 H ILE B 33 26.806 3.213 -8.663 1.00 0.00 H new ATOM 0 HA ILE B 33 26.233 0.526 -9.951 1.00 0.00 H new ATOM 0 HB ILE B 33 25.504 -0.174 -7.700 1.00 0.00 H new ATOM 0 HG12 ILE B 33 25.983 2.744 -6.976 1.00 0.00 H new ATOM 0 HG13 ILE B 33 24.457 1.882 -6.948 1.00 0.00 H new ATOM 0 HG21 ILE B 33 27.634 0.029 -6.446 1.00 0.00 H new ATOM 0 HG22 ILE B 33 27.942 -0.311 -8.165 1.00 0.00 H new ATOM 0 HG23 ILE B 33 28.153 1.339 -7.533 1.00 0.00 H new ATOM 0 HD11 ILE B 33 25.392 2.085 -4.659 1.00 0.00 H new ATOM 0 HD12 ILE B 33 25.326 0.377 -5.154 1.00 0.00 H new ATOM 0 HD13 ILE B 33 26.875 1.252 -5.183 1.00 0.00 H new ATOM 1192 N LYS B 34 24.436 3.103 -9.640 1.00 0.00 N ATOM 1193 CA LYS B 34 23.083 3.651 -9.954 1.00 0.00 C ATOM 1194 C LYS B 34 22.505 2.961 -11.193 1.00 0.00 C ATOM 1195 O LYS B 34 23.147 2.870 -12.221 1.00 0.00 O ATOM 1196 CB LYS B 34 23.310 5.138 -10.229 1.00 0.00 C ATOM 1197 CG LYS B 34 22.369 5.969 -9.354 1.00 0.00 C ATOM 1198 CD LYS B 34 20.947 5.890 -9.916 1.00 0.00 C ATOM 1199 CE LYS B 34 20.170 7.146 -9.517 1.00 0.00 C ATOM 1200 NZ LYS B 34 18.756 6.854 -9.887 1.00 0.00 N ATOM 0 H LYS B 34 25.172 3.800 -9.526 1.00 0.00 H new ATOM 0 HA LYS B 34 22.376 3.489 -9.141 1.00 0.00 H new ATOM 0 HB2 LYS B 34 24.346 5.403 -10.020 1.00 0.00 H new ATOM 0 HB3 LYS B 34 23.131 5.355 -11.282 1.00 0.00 H new ATOM 0 HG2 LYS B 34 22.387 5.600 -8.329 1.00 0.00 H new ATOM 0 HG3 LYS B 34 22.703 7.006 -9.325 1.00 0.00 H new ATOM 0 HD2 LYS B 34 20.978 5.798 -11.002 1.00 0.00 H new ATOM 0 HD3 LYS B 34 20.443 5.002 -9.536 1.00 0.00 H new ATOM 0 HE2 LYS B 34 20.266 7.348 -8.450 1.00 0.00 H new ATOM 0 HE3 LYS B 34 20.543 8.025 -10.043 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 18.158 7.670 -9.644 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 18.695 6.672 -10.909 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 18.427 6.016 -9.366 1.00 0.00 H new ATOM 1214 N GLY B 35 21.297 2.475 -11.104 1.00 0.00 N ATOM 1215 CA GLY B 35 20.681 1.793 -12.277 1.00 0.00 C ATOM 1216 C GLY B 35 19.815 0.628 -11.791 1.00 0.00 C ATOM 1217 O GLY B 35 20.137 -0.501 -12.121 1.00 0.00 O ATOM 1218 OXT GLY B 35 18.845 0.886 -11.098 1.00 0.00 O ATOM 0 H GLY B 35 20.711 2.521 -10.271 1.00 0.00 H new ATOM 0 HA2 GLY B 35 20.075 2.499 -12.845 1.00 0.00 H new ATOM 0 HA3 GLY B 35 21.458 1.428 -12.948 1.00 0.00 H new TER 1222 GLY B 35