USER MOD reduce.3.24.130724 H: found=0, std=0, add=254, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 256 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0594) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.904 K(o=-0.9,f=-0.2) USER MOD Single : A 22 GLN : amide:sc= -3.25! C(o=-3.3!,f=-12!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N ILE A 2 -25.601 2.165 -6.478 1.00 23.44 N ATOM 9 CA ILE A 2 -25.414 2.556 -5.092 1.00 25.31 C ATOM 10 C ILE A 2 -24.565 1.502 -4.379 1.00 34.43 C ATOM 11 O ILE A 2 -24.196 1.678 -3.219 1.00 63.12 O ATOM 12 CB ILE A 2 -26.766 2.812 -4.422 1.00 0.44 C ATOM 13 CG1 ILE A 2 -27.505 1.500 -4.157 1.00 71.13 C ATOM 14 CG2 ILE A 2 -27.609 3.789 -5.244 1.00 1.30 C ATOM 15 CD1 ILE A 2 -27.403 1.100 -2.683 1.00 3.14 C ATOM 0 HA ILE A 2 -24.869 3.498 -5.032 1.00 25.31 H new ATOM 0 HB ILE A 2 -26.584 3.279 -3.454 1.00 0.44 H new ATOM 0 HG12 ILE A 2 -28.553 1.606 -4.437 1.00 71.13 H new ATOM 0 HG13 ILE A 2 -27.087 0.711 -4.781 1.00 71.13 H new ATOM 0 HG21 ILE A 2 -28.564 3.954 -4.746 1.00 1.30 H new ATOM 0 HG22 ILE A 2 -27.080 4.737 -5.337 1.00 1.30 H new ATOM 0 HG23 ILE A 2 -27.784 3.373 -6.236 1.00 1.30 H new ATOM 0 HD11 ILE A 2 -27.937 0.164 -2.522 1.00 3.14 H new ATOM 0 HD12 ILE A 2 -26.355 0.971 -2.413 1.00 3.14 H new ATOM 0 HD13 ILE A 2 -27.844 1.880 -2.063 1.00 3.14 H new ATOM 27 N GLY A 3 -24.278 0.431 -5.104 1.00 45.22 N ATOM 28 CA GLY A 3 -23.479 -0.651 -4.555 1.00 52.43 C ATOM 29 C GLY A 3 -21.986 -0.396 -4.774 1.00 20.33 C ATOM 30 O GLY A 3 -21.161 -1.280 -4.549 1.00 42.45 O ATOM 0 H GLY A 3 -24.584 0.289 -6.067 1.00 45.22 H new ATOM 0 HA2 GLY A 3 -23.682 -0.753 -3.489 1.00 52.43 H new ATOM 0 HA3 GLY A 3 -23.764 -1.593 -5.025 1.00 52.43 H new ATOM 34 N ALA A 4 -21.684 0.818 -5.210 1.00 30.22 N ATOM 35 CA ALA A 4 -20.305 1.201 -5.462 1.00 61.43 C ATOM 36 C ALA A 4 -19.662 1.661 -4.153 1.00 34.24 C ATOM 37 O ALA A 4 -18.455 1.893 -4.099 1.00 74.04 O ATOM 38 CB ALA A 4 -20.265 2.283 -6.544 1.00 62.11 C ATOM 0 H ALA A 4 -22.371 1.549 -5.395 1.00 30.22 H new ATOM 0 HA ALA A 4 -19.731 0.351 -5.831 1.00 61.43 H new ATOM 0 HB1 ALA A 4 -19.231 2.570 -6.733 1.00 62.11 H new ATOM 0 HB2 ALA A 4 -20.708 1.896 -7.462 1.00 62.11 H new ATOM 0 HB3 ALA A 4 -20.828 3.154 -6.209 1.00 62.11 H new ATOM 44 N LEU A 5 -20.495 1.780 -3.130 1.00 33.14 N ATOM 45 CA LEU A 5 -20.022 2.209 -1.825 1.00 33.31 C ATOM 46 C LEU A 5 -19.021 1.183 -1.289 1.00 32.14 C ATOM 47 O LEU A 5 -17.923 1.544 -0.864 1.00 64.20 O ATOM 48 CB LEU A 5 -21.201 2.466 -0.885 1.00 24.03 C ATOM 49 CG LEU A 5 -21.549 3.934 -0.634 1.00 3.55 C ATOM 50 CD1 LEU A 5 -20.747 4.494 0.543 1.00 3.31 C ATOM 51 CD2 LEU A 5 -21.363 4.768 -1.903 1.00 5.40 C ATOM 0 H LEU A 5 -21.495 1.587 -3.178 1.00 33.14 H new ATOM 0 HA LEU A 5 -19.495 3.160 -1.904 1.00 33.31 H new ATOM 0 HB2 LEU A 5 -22.081 1.969 -1.293 1.00 24.03 H new ATOM 0 HB3 LEU A 5 -20.985 1.995 0.074 1.00 24.03 H new ATOM 0 HG LEU A 5 -22.603 3.993 -0.363 1.00 3.55 H new ATOM 0 HD11 LEU A 5 -21.013 5.539 0.700 1.00 3.31 H new ATOM 0 HD12 LEU A 5 -20.974 3.922 1.443 1.00 3.31 H new ATOM 0 HD13 LEU A 5 -19.682 4.420 0.325 1.00 3.31 H new ATOM 0 HD21 LEU A 5 -21.617 5.807 -1.696 1.00 5.40 H new ATOM 0 HD22 LEU A 5 -20.325 4.707 -2.230 1.00 5.40 H new ATOM 0 HD23 LEU A 5 -22.014 4.385 -2.689 1.00 5.40 H new ATOM 63 N PHE A 6 -19.434 -0.075 -1.325 1.00 34.24 N ATOM 64 CA PHE A 6 -18.587 -1.154 -0.848 1.00 73.53 C ATOM 65 C PHE A 6 -17.224 -1.132 -1.543 1.00 23.23 C ATOM 66 O PHE A 6 -16.199 -1.393 -0.916 1.00 33.43 O ATOM 67 CB PHE A 6 -19.298 -2.465 -1.190 1.00 61.15 C ATOM 68 CG PHE A 6 -18.968 -3.619 -0.240 1.00 30.11 C ATOM 69 CD1 PHE A 6 -19.100 -3.453 1.103 1.00 4.11 C ATOM 70 CD2 PHE A 6 -18.542 -4.810 -0.739 1.00 45.41 C ATOM 71 CE1 PHE A 6 -18.794 -4.523 1.985 1.00 60.20 C ATOM 72 CE2 PHE A 6 -18.236 -5.880 0.142 1.00 41.02 C ATOM 73 CZ PHE A 6 -18.368 -5.714 1.485 1.00 45.22 C ATOM 0 H PHE A 6 -20.344 -0.371 -1.677 1.00 34.24 H new ATOM 0 HA PHE A 6 -18.420 -1.048 0.224 1.00 73.53 H new ATOM 0 HB2 PHE A 6 -20.375 -2.296 -1.179 1.00 61.15 H new ATOM 0 HB3 PHE A 6 -19.031 -2.757 -2.206 1.00 61.15 H new ATOM 0 HD1 PHE A 6 -19.438 -2.507 1.499 1.00 4.11 H new ATOM 0 HD2 PHE A 6 -18.436 -4.942 -1.806 1.00 45.41 H new ATOM 0 HE1 PHE A 6 -18.899 -4.391 3.052 1.00 60.20 H new ATOM 0 HE2 PHE A 6 -17.898 -6.826 -0.254 1.00 41.02 H new ATOM 0 HZ PHE A 6 -18.134 -6.528 2.155 1.00 45.22 H new ATOM 83 N LEU A 7 -17.258 -0.816 -2.830 1.00 55.13 N ATOM 84 CA LEU A 7 -16.038 -0.755 -3.617 1.00 1.02 C ATOM 85 C LEU A 7 -15.049 0.199 -2.945 1.00 51.42 C ATOM 86 O LEU A 7 -13.837 0.021 -3.056 1.00 3.52 O ATOM 87 CB LEU A 7 -16.355 -0.389 -5.069 1.00 70.45 C ATOM 88 CG LEU A 7 -16.229 -1.523 -6.089 1.00 43.51 C ATOM 89 CD1 LEU A 7 -17.355 -1.458 -7.123 1.00 43.40 C ATOM 90 CD2 LEU A 7 -14.847 -1.519 -6.745 1.00 5.43 C ATOM 0 H LEU A 7 -18.111 -0.600 -3.347 1.00 55.13 H new ATOM 0 HA LEU A 7 -15.561 -1.734 -3.656 1.00 1.02 H new ATOM 0 HB2 LEU A 7 -17.372 -0.000 -5.111 1.00 70.45 H new ATOM 0 HB3 LEU A 7 -15.692 0.421 -5.372 1.00 70.45 H new ATOM 0 HG LEU A 7 -16.332 -2.471 -5.561 1.00 43.51 H new ATOM 0 HD11 LEU A 7 -17.242 -2.275 -7.836 1.00 43.40 H new ATOM 0 HD12 LEU A 7 -18.317 -1.547 -6.619 1.00 43.40 H new ATOM 0 HD13 LEU A 7 -17.309 -0.506 -7.652 1.00 43.40 H new ATOM 0 HD21 LEU A 7 -14.784 -2.335 -7.465 1.00 5.43 H new ATOM 0 HD22 LEU A 7 -14.690 -0.570 -7.257 1.00 5.43 H new ATOM 0 HD23 LEU A 7 -14.081 -1.650 -5.981 1.00 5.43 H new ATOM 102 N GLY A 8 -15.603 1.190 -2.262 1.00 31.30 N ATOM 103 CA GLY A 8 -14.785 2.173 -1.572 1.00 33.42 C ATOM 104 C GLY A 8 -14.156 1.574 -0.312 1.00 22.32 C ATOM 105 O GLY A 8 -12.992 1.835 -0.011 1.00 31.22 O ATOM 0 H GLY A 8 -16.609 1.333 -2.172 1.00 31.30 H new ATOM 0 HA2 GLY A 8 -14.001 2.532 -2.239 1.00 33.42 H new ATOM 0 HA3 GLY A 8 -15.395 3.036 -1.304 1.00 33.42 H new ATOM 109 N PHE A 9 -14.953 0.783 0.390 1.00 24.32 N ATOM 110 CA PHE A 9 -14.489 0.145 1.610 1.00 44.24 C ATOM 111 C PHE A 9 -13.246 -0.706 1.346 1.00 61.21 C ATOM 112 O PHE A 9 -12.228 -0.550 2.017 1.00 35.12 O ATOM 113 CB PHE A 9 -15.621 -0.763 2.098 1.00 15.35 C ATOM 114 CG PHE A 9 -15.714 -0.874 3.622 1.00 64.21 C ATOM 115 CD1 PHE A 9 -15.582 0.237 4.394 1.00 60.13 C ATOM 116 CD2 PHE A 9 -15.932 -2.085 4.202 1.00 11.33 C ATOM 117 CE1 PHE A 9 -15.670 0.134 5.808 1.00 75.14 C ATOM 118 CE2 PHE A 9 -16.020 -2.189 5.616 1.00 4.42 C ATOM 119 CZ PHE A 9 -15.887 -1.077 6.388 1.00 0.40 C ATOM 0 H PHE A 9 -15.918 0.569 0.137 1.00 24.32 H new ATOM 0 HA PHE A 9 -14.227 0.902 2.349 1.00 44.24 H new ATOM 0 HB2 PHE A 9 -16.568 -0.385 1.713 1.00 15.35 H new ATOM 0 HB3 PHE A 9 -15.481 -1.759 1.679 1.00 15.35 H new ATOM 0 HD1 PHE A 9 -15.410 1.198 3.932 1.00 60.13 H new ATOM 0 HD2 PHE A 9 -16.038 -2.967 3.588 1.00 11.33 H new ATOM 0 HE1 PHE A 9 -15.565 1.016 6.422 1.00 75.14 H new ATOM 0 HE2 PHE A 9 -16.192 -3.150 6.078 1.00 4.42 H new ATOM 0 HZ PHE A 9 -15.954 -1.156 7.463 1.00 0.40 H new ATOM 129 N LEU A 10 -13.370 -1.589 0.365 1.00 51.21 N ATOM 130 CA LEU A 10 -12.269 -2.465 0.003 1.00 60.14 C ATOM 131 C LEU A 10 -11.199 -1.656 -0.730 1.00 11.13 C ATOM 132 O LEU A 10 -10.007 -1.827 -0.481 1.00 75.20 O ATOM 133 CB LEU A 10 -12.782 -3.669 -0.790 1.00 74.13 C ATOM 134 CG LEU A 10 -14.030 -4.356 -0.234 1.00 63.00 C ATOM 135 CD1 LEU A 10 -14.656 -5.283 -1.278 1.00 63.34 C ATOM 136 CD2 LEU A 10 -13.718 -5.092 1.071 1.00 2.55 C ATOM 0 H LEU A 10 -14.216 -1.716 -0.190 1.00 51.21 H new ATOM 0 HA LEU A 10 -11.800 -2.877 0.896 1.00 60.14 H new ATOM 0 HB2 LEU A 10 -12.994 -3.344 -1.809 1.00 74.13 H new ATOM 0 HB3 LEU A 10 -11.982 -4.407 -0.850 1.00 74.13 H new ATOM 0 HG LEU A 10 -14.767 -3.587 -0.001 1.00 63.00 H new ATOM 0 HD11 LEU A 10 -15.542 -5.759 -0.857 1.00 63.34 H new ATOM 0 HD12 LEU A 10 -14.938 -4.703 -2.157 1.00 63.34 H new ATOM 0 HD13 LEU A 10 -13.934 -6.048 -1.565 1.00 63.34 H new ATOM 0 HD21 LEU A 10 -14.623 -5.571 1.444 1.00 2.55 H new ATOM 0 HD22 LEU A 10 -12.956 -5.849 0.888 1.00 2.55 H new ATOM 0 HD23 LEU A 10 -13.353 -4.381 1.812 1.00 2.55 H new ATOM 148 N GLY A 11 -11.663 -0.791 -1.621 1.00 71.34 N ATOM 149 CA GLY A 11 -10.759 0.046 -2.392 1.00 24.10 C ATOM 150 C GLY A 11 -9.867 0.883 -1.474 1.00 44.55 C ATOM 151 O GLY A 11 -8.761 1.263 -1.854 1.00 43.04 O ATOM 0 H GLY A 11 -12.652 -0.652 -1.826 1.00 71.34 H new ATOM 0 HA2 GLY A 11 -10.140 -0.579 -3.035 1.00 24.10 H new ATOM 0 HA3 GLY A 11 -11.334 0.704 -3.044 1.00 24.10 H new ATOM 155 N ALA A 12 -10.383 1.146 -0.281 1.00 71.34 N ATOM 156 CA ALA A 12 -9.647 1.931 0.695 1.00 14.44 C ATOM 157 C ALA A 12 -8.329 1.225 1.023 1.00 44.20 C ATOM 158 O ALA A 12 -7.272 1.855 1.044 1.00 25.43 O ATOM 159 CB ALA A 12 -10.516 2.149 1.935 1.00 52.30 C ATOM 0 H ALA A 12 -11.301 0.829 0.031 1.00 71.34 H new ATOM 0 HA ALA A 12 -9.403 2.914 0.291 1.00 14.44 H new ATOM 0 HB1 ALA A 12 -9.964 2.738 2.667 1.00 52.30 H new ATOM 0 HB2 ALA A 12 -11.425 2.680 1.653 1.00 52.30 H new ATOM 0 HB3 ALA A 12 -10.779 1.184 2.369 1.00 52.30 H new ATOM 165 N ALA A 13 -8.436 -0.072 1.270 1.00 10.43 N ATOM 166 CA ALA A 13 -7.265 -0.870 1.595 1.00 3.23 C ATOM 167 C ALA A 13 -6.257 -0.778 0.449 1.00 33.21 C ATOM 168 O ALA A 13 -5.055 -0.938 0.661 1.00 44.20 O ATOM 169 CB ALA A 13 -7.694 -2.310 1.882 1.00 64.41 C ATOM 0 H ALA A 13 -9.314 -0.590 1.252 1.00 10.43 H new ATOM 0 HA ALA A 13 -6.777 -0.490 2.493 1.00 3.23 H new ATOM 0 HB1 ALA A 13 -6.817 -2.909 2.126 1.00 64.41 H new ATOM 0 HB2 ALA A 13 -8.387 -2.322 2.723 1.00 64.41 H new ATOM 0 HB3 ALA A 13 -8.184 -2.726 1.002 1.00 64.41 H new ATOM 175 N GLY A 14 -6.782 -0.523 -0.740 1.00 14.11 N ATOM 176 CA GLY A 14 -5.941 -0.409 -1.920 1.00 5.21 C ATOM 177 C GLY A 14 -5.038 0.823 -1.833 1.00 33.31 C ATOM 178 O GLY A 14 -3.817 0.710 -1.928 1.00 52.23 O ATOM 0 H GLY A 14 -7.779 -0.392 -0.912 1.00 14.11 H new ATOM 0 HA2 GLY A 14 -5.330 -1.306 -2.023 1.00 5.21 H new ATOM 0 HA3 GLY A 14 -6.565 -0.344 -2.811 1.00 5.21 H new ATOM 182 N SER A 15 -5.674 1.972 -1.653 1.00 31.34 N ATOM 183 CA SER A 15 -4.942 3.224 -1.552 1.00 40.01 C ATOM 184 C SER A 15 -3.938 3.152 -0.401 1.00 41.32 C ATOM 185 O SER A 15 -3.008 3.953 -0.332 1.00 13.04 O ATOM 186 CB SER A 15 -5.896 4.403 -1.352 1.00 12.41 C ATOM 187 OG SER A 15 -5.228 5.546 -0.822 1.00 21.33 O ATOM 0 H SER A 15 -6.687 2.062 -1.575 1.00 31.34 H new ATOM 0 HA SER A 15 -4.402 3.382 -2.486 1.00 40.01 H new ATOM 0 HB2 SER A 15 -6.357 4.662 -2.305 1.00 12.41 H new ATOM 0 HB3 SER A 15 -6.701 4.108 -0.678 1.00 12.41 H new ATOM 0 HG SER A 15 -5.870 6.278 -0.710 1.00 21.33 H new ATOM 193 N LYS A 16 -4.160 2.184 0.477 1.00 63.43 N ATOM 194 CA LYS A 16 -3.286 1.997 1.622 1.00 51.34 C ATOM 195 C LYS A 16 -2.028 1.248 1.181 1.00 51.25 C ATOM 196 O LYS A 16 -0.960 1.845 1.046 1.00 64.02 O ATOM 197 CB LYS A 16 -4.039 1.313 2.765 1.00 44.34 C ATOM 198 CG LYS A 16 -5.163 2.208 3.295 1.00 63.52 C ATOM 199 CD LYS A 16 -4.836 2.728 4.694 1.00 54.54 C ATOM 200 CE LYS A 16 -6.106 2.884 5.533 1.00 14.51 C ATOM 201 NZ LYS A 16 -7.008 3.887 4.924 1.00 72.04 N ATOM 0 H LYS A 16 -4.933 1.521 0.418 1.00 63.43 H new ATOM 0 HA LYS A 16 -2.963 2.961 2.015 1.00 51.34 H new ATOM 0 HB2 LYS A 16 -4.456 0.368 2.417 1.00 44.34 H new ATOM 0 HB3 LYS A 16 -3.346 1.077 3.572 1.00 44.34 H new ATOM 0 HG2 LYS A 16 -5.314 3.048 2.617 1.00 63.52 H new ATOM 0 HG3 LYS A 16 -6.097 1.647 3.321 1.00 63.52 H new ATOM 0 HD2 LYS A 16 -4.151 2.041 5.190 1.00 54.54 H new ATOM 0 HD3 LYS A 16 -4.326 3.688 4.619 1.00 54.54 H new ATOM 0 HE2 LYS A 16 -6.618 1.925 5.611 1.00 14.51 H new ATOM 0 HE3 LYS A 16 -5.845 3.189 6.546 1.00 14.51 H new ATOM 0 HZ1 LYS A 16 -7.808 4.069 5.564 1.00 72.04 H new ATOM 0 HZ2 LYS A 16 -6.485 4.772 4.763 1.00 72.04 H new ATOM 0 HZ3 LYS A 16 -7.366 3.527 4.016 1.00 72.04 H new ATOM 214 N LYS A 17 -2.193 -0.050 0.969 1.00 4.12 N ATOM 215 CA LYS A 17 -1.083 -0.887 0.545 1.00 3.40 C ATOM 216 C LYS A 17 -0.460 -0.297 -0.721 1.00 22.33 C ATOM 217 O LYS A 17 0.717 0.059 -0.730 1.00 31.20 O ATOM 218 CB LYS A 17 -1.537 -2.339 0.388 1.00 24.02 C ATOM 219 CG LYS A 17 -1.373 -3.110 1.700 1.00 21.34 C ATOM 220 CD LYS A 17 -2.572 -2.885 2.622 1.00 73.15 C ATOM 221 CE LYS A 17 -2.121 -2.377 3.993 1.00 70.04 C ATOM 222 NZ LYS A 17 -2.868 -3.063 5.072 1.00 20.44 N ATOM 0 H LYS A 17 -3.079 -0.542 1.083 1.00 4.12 H new ATOM 0 HA LYS A 17 -0.304 -0.902 1.307 1.00 3.40 H new ATOM 0 HB2 LYS A 17 -2.581 -2.366 0.074 1.00 24.02 H new ATOM 0 HB3 LYS A 17 -0.956 -2.823 -0.397 1.00 24.02 H new ATOM 0 HG2 LYS A 17 -1.266 -4.174 1.490 1.00 21.34 H new ATOM 0 HG3 LYS A 17 -0.459 -2.791 2.202 1.00 21.34 H new ATOM 0 HD2 LYS A 17 -3.253 -2.165 2.169 1.00 73.15 H new ATOM 0 HD3 LYS A 17 -3.125 -3.817 2.739 1.00 73.15 H new ATOM 0 HE2 LYS A 17 -1.052 -2.548 4.117 1.00 70.04 H new ATOM 0 HE3 LYS A 17 -2.281 -1.301 4.059 1.00 70.04 H new ATOM 0 HZ1 LYS A 17 -2.550 -2.706 5.996 1.00 20.44 H new ATOM 0 HZ2 LYS A 17 -3.885 -2.878 4.962 1.00 20.44 H new ATOM 0 HZ3 LYS A 17 -2.694 -4.087 5.018 1.00 20.44 H new ATOM 254 N LYS A 19 3.835 3.046 -3.194 1.00 2.22 N ATOM 255 CA LYS A 19 4.989 2.874 -2.329 1.00 11.31 C ATOM 256 C LYS A 19 5.996 3.994 -2.599 1.00 72.30 C ATOM 257 O LYS A 19 6.182 4.881 -1.766 1.00 73.54 O ATOM 258 CB LYS A 19 5.575 1.470 -2.489 1.00 40.20 C ATOM 259 CG LYS A 19 4.472 0.409 -2.462 1.00 20.11 C ATOM 260 CD LYS A 19 5.051 -0.977 -2.176 1.00 53.23 C ATOM 261 CE LYS A 19 4.879 -1.349 -0.701 1.00 14.05 C ATOM 262 NZ LYS A 19 5.002 -2.812 -0.518 1.00 65.23 N ATOM 0 HA LYS A 19 4.695 2.954 -1.283 1.00 11.31 H new ATOM 0 HB2 LYS A 19 6.123 1.406 -3.429 1.00 40.20 H new ATOM 0 HB3 LYS A 19 6.290 1.277 -1.689 1.00 40.20 H new ATOM 0 HG2 LYS A 19 3.736 0.664 -1.699 1.00 20.11 H new ATOM 0 HG3 LYS A 19 3.949 0.398 -3.418 1.00 20.11 H new ATOM 0 HD2 LYS A 19 4.555 -1.719 -2.802 1.00 53.23 H new ATOM 0 HD3 LYS A 19 6.109 -0.995 -2.438 1.00 53.23 H new ATOM 0 HE2 LYS A 19 5.631 -0.837 -0.101 1.00 14.05 H new ATOM 0 HE3 LYS A 19 3.905 -1.013 -0.346 1.00 14.05 H new ATOM 0 HZ1 LYS A 19 4.883 -3.047 0.488 1.00 65.23 H new ATOM 0 HZ2 LYS A 19 4.269 -3.294 -1.076 1.00 65.23 H new ATOM 0 HZ3 LYS A 19 5.941 -3.124 -0.838 1.00 65.23 H new ATOM 275 N ASN A 20 6.617 3.919 -3.767 1.00 75.35 N ATOM 276 CA ASN A 20 7.600 4.916 -4.157 1.00 72.42 C ATOM 277 C ASN A 20 8.166 4.555 -5.532 1.00 31.55 C ATOM 278 O ASN A 20 8.595 3.424 -5.755 1.00 42.15 O ATOM 279 CB ASN A 20 8.762 4.961 -3.165 1.00 54.31 C ATOM 280 CG ASN A 20 8.769 6.279 -2.387 1.00 42.21 C ATOM 281 OD1 ASN A 20 7.737 6.835 -2.050 1.00 64.12 O ATOM 282 ND2 ASN A 20 9.986 6.746 -2.123 1.00 23.13 N ATOM 0 H ASN A 20 6.459 3.184 -4.456 1.00 75.35 H new ATOM 0 HA ASN A 20 7.106 5.887 -4.177 1.00 72.42 H new ATOM 0 HB2 ASN A 20 8.684 4.125 -2.470 1.00 54.31 H new ATOM 0 HB3 ASN A 20 9.705 4.845 -3.699 1.00 54.31 H new ATOM 0 HD21 ASN A 20 10.096 7.620 -1.609 1.00 23.13 H new ATOM 0 HD22 ASN A 20 10.809 6.230 -2.434 1.00 23.13 H new ATOM 289 N GLU A 21 8.151 5.539 -6.419 1.00 23.22 N ATOM 290 CA GLU A 21 8.658 5.340 -7.767 1.00 51.14 C ATOM 291 C GLU A 21 10.187 5.282 -7.755 1.00 70.14 C ATOM 292 O GLU A 21 10.789 4.530 -8.521 1.00 10.31 O ATOM 293 CB GLU A 21 8.157 6.437 -8.708 1.00 14.02 C ATOM 294 CG GLU A 21 6.749 6.123 -9.217 1.00 53.22 C ATOM 295 CD GLU A 21 5.949 7.407 -9.442 1.00 42.32 C ATOM 296 OE1 GLU A 21 6.425 8.323 -10.128 1.00 11.41 O ATOM 297 OE2 GLU A 21 4.790 7.433 -8.875 1.00 72.34 O ATOM 0 H GLU A 21 7.796 6.477 -6.231 1.00 23.22 H new ATOM 0 HA GLU A 21 8.281 4.388 -8.140 1.00 51.14 H new ATOM 0 HB2 GLU A 21 8.154 7.394 -8.187 1.00 14.02 H new ATOM 0 HB3 GLU A 21 8.839 6.536 -9.552 1.00 14.02 H new ATOM 0 HG2 GLU A 21 6.812 5.561 -10.149 1.00 53.22 H new ATOM 0 HG3 GLU A 21 6.231 5.489 -8.497 1.00 53.22 H new ATOM 305 N GLN A 22 10.772 6.086 -6.879 1.00 65.11 N ATOM 306 CA GLN A 22 12.218 6.136 -6.758 1.00 51.14 C ATOM 307 C GLN A 22 12.777 4.736 -6.492 1.00 11.31 C ATOM 308 O GLN A 22 13.806 4.358 -7.050 1.00 10.31 O ATOM 309 CB GLN A 22 12.643 7.114 -5.661 1.00 55.20 C ATOM 310 CG GLN A 22 13.172 8.417 -6.264 1.00 52.04 C ATOM 311 CD GLN A 22 12.149 9.033 -7.220 1.00 12.02 C ATOM 312 OE1 GLN A 22 11.364 8.349 -7.857 1.00 53.31 O ATOM 313 NE2 GLN A 22 12.202 10.361 -7.286 1.00 62.44 N ATOM 0 H GLN A 22 10.270 6.708 -6.246 1.00 65.11 H new ATOM 0 HA GLN A 22 12.630 6.497 -7.700 1.00 51.14 H new ATOM 0 HB2 GLN A 22 11.795 7.328 -5.011 1.00 55.20 H new ATOM 0 HB3 GLN A 22 13.414 6.657 -5.040 1.00 55.20 H new ATOM 0 HG2 GLN A 22 13.402 9.124 -5.467 1.00 52.04 H new ATOM 0 HG3 GLN A 22 14.103 8.224 -6.797 1.00 52.04 H new ATOM 0 HE21 GLN A 22 12.884 10.873 -6.726 1.00 62.44 H new ATOM 0 HE22 GLN A 22 11.561 10.867 -7.897 1.00 62.44 H new ATOM 322 N GLU A 23 12.074 4.006 -5.639 1.00 62.04 N ATOM 323 CA GLU A 23 12.488 2.657 -5.291 1.00 63.21 C ATOM 324 C GLU A 23 12.558 1.784 -6.546 1.00 22.22 C ATOM 325 O GLU A 23 13.391 0.883 -6.634 1.00 44.22 O ATOM 326 CB GLU A 23 11.546 2.046 -4.251 1.00 13.21 C ATOM 327 CG GLU A 23 11.706 2.737 -2.895 1.00 21.54 C ATOM 328 CD GLU A 23 10.457 2.546 -2.032 1.00 72.11 C ATOM 329 OE1 GLU A 23 10.371 3.112 -0.932 1.00 21.23 O ATOM 330 OE2 GLU A 23 9.554 1.778 -2.542 1.00 53.33 O ATOM 0 H GLU A 23 11.221 4.323 -5.179 1.00 62.04 H new ATOM 0 HA GLU A 23 13.483 2.705 -4.849 1.00 63.21 H new ATOM 0 HB2 GLU A 23 10.514 2.138 -4.591 1.00 13.21 H new ATOM 0 HB3 GLU A 23 11.754 0.981 -4.148 1.00 13.21 H new ATOM 0 HG2 GLU A 23 12.576 2.333 -2.377 1.00 21.54 H new ATOM 0 HG3 GLU A 23 11.890 3.801 -3.044 1.00 21.54 H new ATOM 338 N LEU A 24 11.672 2.082 -7.486 1.00 75.35 N ATOM 339 CA LEU A 24 11.624 1.335 -8.732 1.00 65.13 C ATOM 340 C LEU A 24 12.825 1.718 -9.598 1.00 1.15 C ATOM 341 O LEU A 24 13.468 0.854 -10.192 1.00 11.34 O ATOM 342 CB LEU A 24 10.276 1.537 -9.425 1.00 23.14 C ATOM 343 CG LEU A 24 9.678 0.303 -10.105 1.00 41.30 C ATOM 344 CD1 LEU A 24 10.700 -0.362 -11.029 1.00 65.30 C ATOM 345 CD2 LEU A 24 9.119 -0.675 -9.069 1.00 53.11 C ATOM 0 H LEU A 24 10.982 2.830 -7.410 1.00 75.35 H new ATOM 0 HA LEU A 24 11.700 0.265 -8.538 1.00 65.13 H new ATOM 0 HB2 LEU A 24 9.562 1.902 -8.687 1.00 23.14 H new ATOM 0 HB3 LEU A 24 10.389 2.321 -10.174 1.00 23.14 H new ATOM 0 HG LEU A 24 8.843 0.625 -10.728 1.00 41.30 H new ATOM 0 HD11 LEU A 24 10.250 -1.236 -11.500 1.00 65.30 H new ATOM 0 HD12 LEU A 24 11.010 0.346 -11.798 1.00 65.30 H new ATOM 0 HD13 LEU A 24 11.569 -0.670 -10.448 1.00 65.30 H new ATOM 0 HD21 LEU A 24 8.700 -1.543 -9.577 1.00 53.11 H new ATOM 0 HD22 LEU A 24 9.920 -0.996 -8.403 1.00 53.11 H new ATOM 0 HD23 LEU A 24 8.339 -0.183 -8.488 1.00 53.11 H new ATOM 357 N LEU A 25 13.092 3.016 -9.643 1.00 61.44 N ATOM 358 CA LEU A 25 14.204 3.525 -10.427 1.00 74.32 C ATOM 359 C LEU A 25 15.518 3.037 -9.815 1.00 73.52 C ATOM 360 O LEU A 25 16.511 2.864 -10.523 1.00 3.42 O ATOM 361 CB LEU A 25 14.115 5.046 -10.560 1.00 61.14 C ATOM 362 CG LEU A 25 15.344 5.741 -11.150 1.00 40.40 C ATOM 363 CD1 LEU A 25 15.189 5.941 -12.659 1.00 51.23 C ATOM 364 CD2 LEU A 25 15.631 7.056 -10.423 1.00 23.33 C ATOM 0 H LEU A 25 12.557 3.730 -9.149 1.00 61.44 H new ATOM 0 HA LEU A 25 14.162 3.137 -11.445 1.00 74.32 H new ATOM 0 HB2 LEU A 25 13.253 5.287 -11.182 1.00 61.14 H new ATOM 0 HB3 LEU A 25 13.923 5.467 -9.573 1.00 61.14 H new ATOM 0 HG LEU A 25 16.208 5.094 -10.999 1.00 40.40 H new ATOM 0 HD11 LEU A 25 16.076 6.437 -13.053 1.00 51.23 H new ATOM 0 HD12 LEU A 25 15.069 4.972 -13.144 1.00 51.23 H new ATOM 0 HD13 LEU A 25 14.311 6.557 -12.856 1.00 51.23 H new ATOM 0 HD21 LEU A 25 16.509 7.530 -10.861 1.00 23.33 H new ATOM 0 HD22 LEU A 25 14.773 7.721 -10.521 1.00 23.33 H new ATOM 0 HD23 LEU A 25 15.816 6.855 -9.368 1.00 23.33 H new ATOM 376 N GLU A 26 15.484 2.827 -8.507 1.00 31.53 N ATOM 377 CA GLU A 26 16.661 2.362 -7.793 1.00 2.33 C ATOM 378 C GLU A 26 17.154 1.040 -8.384 1.00 3.23 C ATOM 379 O GLU A 26 18.355 0.782 -8.420 1.00 13.13 O ATOM 380 CB GLU A 26 16.372 2.220 -6.296 1.00 32.43 C ATOM 381 CG GLU A 26 17.666 2.273 -5.481 1.00 63.43 C ATOM 382 CD GLU A 26 17.465 1.661 -4.094 1.00 42.52 C ATOM 383 OE1 GLU A 26 16.844 2.290 -3.223 1.00 13.04 O ATOM 384 OE2 GLU A 26 17.978 0.489 -3.934 1.00 64.50 O ATOM 0 H GLU A 26 14.660 2.970 -7.923 1.00 31.53 H new ATOM 0 HA GLU A 26 17.450 3.105 -7.910 1.00 2.33 H new ATOM 0 HB2 GLU A 26 15.702 3.017 -5.974 1.00 32.43 H new ATOM 0 HB3 GLU A 26 15.858 1.277 -6.109 1.00 32.43 H new ATOM 0 HG2 GLU A 26 18.455 1.736 -6.009 1.00 63.43 H new ATOM 0 HG3 GLU A 26 17.996 3.307 -5.382 1.00 63.43 H new ATOM 392 N LEU A 27 16.199 0.238 -8.834 1.00 54.32 N ATOM 393 CA LEU A 27 16.522 -1.051 -9.422 1.00 14.32 C ATOM 394 C LEU A 27 17.266 -0.833 -10.741 1.00 64.32 C ATOM 395 O LEU A 27 18.104 -1.647 -11.127 1.00 51.11 O ATOM 396 CB LEU A 27 15.261 -1.907 -9.560 1.00 12.32 C ATOM 397 CG LEU A 27 15.448 -3.412 -9.364 1.00 63.05 C ATOM 398 CD1 LEU A 27 16.251 -4.020 -10.516 1.00 45.12 C ATOM 399 CD2 LEU A 27 16.079 -3.714 -8.004 1.00 75.31 C ATOM 0 H LEU A 27 15.203 0.456 -8.803 1.00 54.32 H new ATOM 0 HA LEU A 27 17.190 -1.612 -8.769 1.00 14.32 H new ATOM 0 HB2 LEU A 27 14.526 -1.555 -8.836 1.00 12.32 H new ATOM 0 HB3 LEU A 27 14.839 -1.739 -10.551 1.00 12.32 H new ATOM 0 HG LEU A 27 14.465 -3.882 -9.374 1.00 63.05 H new ATOM 0 HD11 LEU A 27 16.369 -5.091 -10.352 1.00 45.12 H new ATOM 0 HD12 LEU A 27 15.723 -3.853 -11.455 1.00 45.12 H new ATOM 0 HD13 LEU A 27 17.233 -3.549 -10.563 1.00 45.12 H new ATOM 0 HD21 LEU A 27 16.201 -4.791 -7.891 1.00 75.31 H new ATOM 0 HD22 LEU A 27 17.053 -3.230 -7.939 1.00 75.31 H new ATOM 0 HD23 LEU A 27 15.433 -3.336 -7.211 1.00 75.31 H new ATOM 411 N ASP A 28 16.932 0.269 -11.396 1.00 1.11 N ATOM 412 CA ASP A 28 17.558 0.604 -12.664 1.00 24.21 C ATOM 413 C ASP A 28 19.074 0.683 -12.474 1.00 74.20 C ATOM 414 O ASP A 28 19.828 0.031 -13.195 1.00 13.21 O ATOM 415 CB ASP A 28 17.074 1.963 -13.175 1.00 34.11 C ATOM 416 CG ASP A 28 17.193 2.164 -14.687 1.00 33.15 C ATOM 417 OD1 ASP A 28 16.300 1.780 -15.455 1.00 11.12 O ATOM 418 OD2 ASP A 28 18.274 2.754 -15.074 1.00 73.44 O ATOM 0 H ASP A 28 16.236 0.941 -11.073 1.00 1.11 H new ATOM 0 HA ASP A 28 17.292 -0.168 -13.386 1.00 24.21 H new ATOM 0 HB2 ASP A 28 16.031 2.092 -12.887 1.00 34.11 H new ATOM 0 HB3 ASP A 28 17.642 2.746 -12.673 1.00 34.11 H new ATOM 424 N LYS A 29 19.475 1.487 -11.501 1.00 53.20 N ATOM 425 CA LYS A 29 20.888 1.659 -11.207 1.00 3.13 C ATOM 426 C LYS A 29 21.442 0.365 -10.609 1.00 44.45 C ATOM 427 O LYS A 29 22.621 0.053 -10.776 1.00 3.11 O ATOM 428 CB LYS A 29 21.105 2.888 -10.322 1.00 33.51 C ATOM 429 CG LYS A 29 22.561 2.981 -9.859 1.00 63.55 C ATOM 430 CD LYS A 29 23.081 4.415 -9.968 1.00 63.13 C ATOM 431 CE LYS A 29 24.115 4.540 -11.089 1.00 54.01 C ATOM 432 NZ LYS A 29 23.452 4.854 -12.374 1.00 71.44 N ATOM 0 H LYS A 29 18.847 2.027 -10.906 1.00 53.20 H new ATOM 0 HA LYS A 29 21.447 1.851 -12.123 1.00 3.13 H new ATOM 0 HB2 LYS A 29 20.837 3.789 -10.873 1.00 33.51 H new ATOM 0 HB3 LYS A 29 20.447 2.837 -9.455 1.00 33.51 H new ATOM 0 HG2 LYS A 29 22.641 2.639 -8.827 1.00 63.55 H new ATOM 0 HG3 LYS A 29 23.181 2.319 -10.463 1.00 63.55 H new ATOM 0 HD2 LYS A 29 22.249 5.094 -10.158 1.00 63.13 H new ATOM 0 HD3 LYS A 29 23.528 4.716 -9.021 1.00 63.13 H new ATOM 0 HE2 LYS A 29 24.833 5.322 -10.843 1.00 54.01 H new ATOM 0 HE3 LYS A 29 24.675 3.610 -11.180 1.00 54.01 H new ATOM 0 HZ1 LYS A 29 24.168 4.935 -13.124 1.00 71.44 H new ATOM 0 HZ2 LYS A 29 22.784 4.094 -12.615 1.00 71.44 H new ATOM 0 HZ3 LYS A 29 22.937 5.754 -12.288 1.00 71.44 H new ATOM 445 N TRP A 30 20.566 -0.355 -9.923 1.00 63.42 N ATOM 446 CA TRP A 30 20.953 -1.609 -9.299 1.00 61.40 C ATOM 447 C TRP A 30 21.469 -2.544 -10.396 1.00 1.33 C ATOM 448 O TRP A 30 22.190 -3.499 -10.113 1.00 1.33 O ATOM 449 CB TRP A 30 19.791 -2.206 -8.503 1.00 71.55 C ATOM 450 CG TRP A 30 20.199 -3.344 -7.564 1.00 34.24 C ATOM 451 CD1 TRP A 30 20.305 -3.313 -6.229 1.00 5.33 C ATOM 452 CD2 TRP A 30 20.555 -4.689 -7.947 1.00 13.43 C ATOM 453 NE1 TRP A 30 20.701 -4.534 -5.724 1.00 42.24 N ATOM 454 CE2 TRP A 30 20.858 -5.398 -6.802 1.00 73.31 C ATOM 455 CE3 TRP A 30 20.620 -5.286 -9.217 1.00 21.32 C ATOM 456 CZ2 TRP A 30 21.246 -6.743 -6.814 1.00 5.03 C ATOM 457 CZ3 TRP A 30 21.009 -6.631 -9.213 1.00 44.31 C ATOM 458 CH2 TRP A 30 21.316 -7.359 -8.069 1.00 72.22 C ATOM 0 H TRP A 30 19.590 -0.094 -9.786 1.00 63.42 H new ATOM 0 HA TRP A 30 21.751 -1.449 -8.574 1.00 61.40 H new ATOM 0 HB2 TRP A 30 19.322 -1.416 -7.917 1.00 71.55 H new ATOM 0 HB3 TRP A 30 19.039 -2.576 -9.200 1.00 71.55 H new ATOM 0 HD1 TRP A 30 20.105 -2.441 -5.624 1.00 5.33 H new ATOM 0 HE1 TRP A 30 20.851 -4.761 -4.741 1.00 42.24 H new ATOM 0 HE3 TRP A 30 20.388 -4.750 -10.125 1.00 21.32 H new ATOM 0 HZ2 TRP A 30 21.479 -7.276 -5.904 1.00 5.03 H new ATOM 0 HZ3 TRP A 30 21.075 -7.138 -10.164 1.00 44.31 H new ATOM 0 HH2 TRP A 30 21.607 -8.396 -8.148 1.00 72.22 H new ATOM 469 N ALA A 31 21.079 -2.235 -11.624 1.00 35.00 N ATOM 470 CA ALA A 31 21.494 -3.034 -12.764 1.00 71.45 C ATOM 471 C ALA A 31 23.019 -3.155 -12.769 1.00 22.53 C ATOM 472 O ALA A 31 23.564 -4.161 -13.220 1.00 74.21 O ATOM 473 CB ALA A 31 20.954 -2.409 -14.051 1.00 4.32 C ATOM 0 H ALA A 31 20.480 -1.442 -11.854 1.00 35.00 H new ATOM 0 HA ALA A 31 21.084 -4.042 -12.695 1.00 71.45 H new ATOM 0 HB1 ALA A 31 21.266 -3.009 -14.906 1.00 4.32 H new ATOM 0 HB2 ALA A 31 19.865 -2.375 -14.010 1.00 4.32 H new ATOM 0 HB3 ALA A 31 21.345 -1.397 -14.156 1.00 4.32 H new ATOM 479 N SER A 32 23.665 -2.114 -12.263 1.00 3.01 N ATOM 480 CA SER A 32 25.116 -2.091 -12.204 1.00 21.21 C ATOM 481 C SER A 32 25.633 -3.357 -11.521 1.00 63.13 C ATOM 482 O SER A 32 26.711 -3.849 -11.850 1.00 12.00 O ATOM 483 CB SER A 32 25.617 -0.847 -11.467 1.00 21.11 C ATOM 484 OG SER A 32 26.886 -0.415 -11.951 1.00 0.54 O ATOM 0 H SER A 32 23.210 -1.281 -11.890 1.00 3.01 H new ATOM 0 HA SER A 32 25.499 -2.055 -13.224 1.00 21.21 H new ATOM 0 HB2 SER A 32 24.892 -0.041 -11.581 1.00 21.11 H new ATOM 0 HB3 SER A 32 25.689 -1.062 -10.401 1.00 21.11 H new ATOM 0 HG SER A 32 27.171 0.382 -11.457 1.00 0.54 H new ATOM 490 N LEU A 33 24.839 -3.850 -10.581 1.00 32.10 N ATOM 491 CA LEU A 33 25.204 -5.051 -9.847 1.00 43.01 C ATOM 492 C LEU A 33 25.544 -6.165 -10.839 1.00 53.12 C ATOM 493 O LEU A 33 26.608 -6.776 -10.749 1.00 61.40 O ATOM 494 CB LEU A 33 24.101 -5.426 -8.855 1.00 53.43 C ATOM 495 CG LEU A 33 24.444 -6.540 -7.862 1.00 11.00 C ATOM 496 CD1 LEU A 33 25.043 -7.750 -8.581 1.00 1.52 C ATOM 497 CD2 LEU A 33 25.360 -6.021 -6.752 1.00 12.13 C ATOM 0 H LEU A 33 23.945 -3.440 -10.311 1.00 32.10 H new ATOM 0 HA LEU A 33 26.096 -4.876 -9.246 1.00 43.01 H new ATOM 0 HB2 LEU A 33 23.828 -4.534 -8.291 1.00 53.43 H new ATOM 0 HB3 LEU A 33 23.219 -5.728 -9.420 1.00 53.43 H new ATOM 0 HG LEU A 33 23.520 -6.872 -7.388 1.00 11.00 H new ATOM 0 HD11 LEU A 33 25.278 -8.526 -7.853 1.00 1.52 H new ATOM 0 HD12 LEU A 33 24.325 -8.136 -9.304 1.00 1.52 H new ATOM 0 HD13 LEU A 33 25.954 -7.451 -9.099 1.00 1.52 H new ATOM 0 HD21 LEU A 33 25.589 -6.832 -6.060 1.00 12.13 H new ATOM 0 HD22 LEU A 33 26.285 -5.646 -7.189 1.00 12.13 H new ATOM 0 HD23 LEU A 33 24.860 -5.215 -6.214 1.00 12.13 H new ATOM 509 N TRP A 34 24.621 -6.396 -11.761 1.00 42.41 N ATOM 510 CA TRP A 34 24.810 -7.426 -12.768 1.00 74.11 C ATOM 511 C TRP A 34 26.200 -7.239 -13.380 1.00 23.42 C ATOM 512 O TRP A 34 27.050 -8.121 -13.280 1.00 73.14 O ATOM 513 CB TRP A 34 23.688 -7.389 -13.808 1.00 14.20 C ATOM 514 CG TRP A 34 22.376 -8.012 -13.329 1.00 3.11 C ATOM 515 CD1 TRP A 34 21.370 -7.416 -12.672 1.00 35.15 C ATOM 516 CD2 TRP A 34 21.964 -9.385 -13.498 1.00 43.01 C ATOM 517 NE1 TRP A 34 20.345 -8.300 -12.407 1.00 54.21 N ATOM 518 CE2 TRP A 34 20.717 -9.536 -12.924 1.00 21.35 C ATOM 519 CE3 TRP A 34 22.622 -10.462 -14.114 1.00 70.55 C ATOM 520 CZ2 TRP A 34 20.021 -10.750 -12.911 1.00 73.13 C ATOM 521 CZ3 TRP A 34 21.914 -11.671 -14.092 1.00 4.04 C ATOM 522 CH2 TRP A 34 20.658 -11.839 -13.519 1.00 73.33 C ATOM 0 H TRP A 34 23.740 -5.887 -11.832 1.00 42.41 H new ATOM 0 HA TRP A 34 24.758 -8.418 -12.320 1.00 74.11 H new ATOM 0 HB2 TRP A 34 23.504 -6.353 -14.092 1.00 14.20 H new ATOM 0 HB3 TRP A 34 24.020 -7.912 -14.705 1.00 14.20 H new ATOM 0 HD1 TRP A 34 21.363 -6.374 -12.386 1.00 35.15 H new ATOM 0 HE1 TRP A 34 19.474 -8.086 -11.921 1.00 54.21 H new ATOM 0 HE3 TRP A 34 23.597 -10.366 -14.569 1.00 70.55 H new ATOM 0 HZ2 TRP A 34 19.046 -10.842 -12.457 1.00 73.13 H new ATOM 0 HZ3 TRP A 34 22.376 -12.532 -14.552 1.00 4.04 H new ATOM 0 HH2 TRP A 34 20.176 -12.805 -13.543 1.00 73.33 H new