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+ -156:sc= -0.0416 (180deg=-0.305) 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 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc=-0.00783 X(o=-0.0078,f=0) 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 -26.756 -2.323 -3.967 1.00 43.12 N ATOM 9 CA ILE A 2 -25.659 -1.562 -4.538 1.00 10.35 C ATOM 10 C ILE A 2 -24.364 -1.907 -3.798 1.00 44.34 C ATOM 11 O ILE A 2 -24.279 -1.743 -2.582 1.00 54.23 O ATOM 12 CB ILE A 2 -25.986 -0.067 -4.539 1.00 21.31 C ATOM 13 CG1 ILE A 2 -25.973 0.498 -3.117 1.00 24.43 C ATOM 14 CG2 ILE A 2 -27.313 0.203 -5.252 1.00 20.41 C ATOM 15 CD1 ILE A 2 -24.662 1.232 -2.831 1.00 71.41 C ATOM 0 HA ILE A 2 -25.512 -1.833 -5.583 1.00 10.35 H new ATOM 0 HB ILE A 2 -25.208 0.453 -5.099 1.00 21.31 H new ATOM 0 HG12 ILE A 2 -26.812 1.181 -2.985 1.00 24.43 H new ATOM 0 HG13 ILE A 2 -26.105 -0.311 -2.399 1.00 24.43 H new ATOM 0 HG21 ILE A 2 -27.522 1.273 -5.239 1.00 20.41 H new ATOM 0 HG22 ILE A 2 -27.248 -0.141 -6.284 1.00 20.41 H new ATOM 0 HG23 ILE A 2 -28.115 -0.330 -4.742 1.00 20.41 H new ATOM 0 HD11 ILE A 2 -24.679 1.624 -1.814 1.00 71.41 H new ATOM 0 HD12 ILE A 2 -23.827 0.540 -2.940 1.00 71.41 H new ATOM 0 HD13 ILE A 2 -24.545 2.056 -3.535 1.00 71.41 H new ATOM 27 N GLY A 3 -23.391 -2.378 -4.563 1.00 73.23 N ATOM 28 CA GLY A 3 -22.105 -2.748 -3.994 1.00 63.43 C ATOM 29 C GLY A 3 -21.046 -1.688 -4.299 1.00 10.12 C ATOM 30 O GLY A 3 -19.858 -1.904 -4.061 1.00 21.41 O ATOM 0 H GLY A 3 -23.466 -2.512 -5.571 1.00 73.23 H new ATOM 0 HA2 GLY A 3 -22.202 -2.870 -2.915 1.00 63.43 H new ATOM 0 HA3 GLY A 3 -21.788 -3.710 -4.397 1.00 63.43 H new ATOM 34 N ALA A 4 -21.513 -0.562 -4.821 1.00 70.55 N ATOM 35 CA ALA A 4 -20.620 0.532 -5.161 1.00 33.33 C ATOM 36 C ALA A 4 -20.079 1.160 -3.876 1.00 55.21 C ATOM 37 O ALA A 4 -18.991 1.735 -3.871 1.00 32.15 O ATOM 38 CB ALA A 4 -21.362 1.543 -6.037 1.00 44.20 C ATOM 0 H ALA A 4 -22.498 -0.385 -5.016 1.00 70.55 H new ATOM 0 HA ALA A 4 -19.767 0.168 -5.734 1.00 33.33 H new ATOM 0 HB1 ALA A 4 -20.692 2.364 -6.292 1.00 44.20 H new ATOM 0 HB2 ALA A 4 -21.701 1.054 -6.950 1.00 44.20 H new ATOM 0 HB3 ALA A 4 -22.223 1.933 -5.494 1.00 44.20 H new ATOM 44 N LEU A 5 -20.861 1.030 -2.815 1.00 62.10 N ATOM 45 CA LEU A 5 -20.474 1.578 -1.526 1.00 31.21 C ATOM 46 C LEU A 5 -19.258 0.814 -0.997 1.00 12.21 C ATOM 47 O LEU A 5 -18.448 1.367 -0.254 1.00 43.02 O ATOM 48 CB LEU A 5 -21.664 1.579 -0.566 1.00 4.40 C ATOM 49 CG LEU A 5 -21.749 2.769 0.395 1.00 72.52 C ATOM 50 CD1 LEU A 5 -21.983 4.074 -0.368 1.00 53.14 C ATOM 51 CD2 LEU A 5 -22.814 2.532 1.467 1.00 24.41 C ATOM 0 H LEU A 5 -21.762 0.552 -2.821 1.00 62.10 H new ATOM 0 HA LEU A 5 -20.176 2.621 -1.629 1.00 31.21 H new ATOM 0 HB2 LEU A 5 -22.581 1.546 -1.155 1.00 4.40 H new ATOM 0 HB3 LEU A 5 -21.631 0.663 0.023 1.00 4.40 H new ATOM 0 HG LEU A 5 -20.792 2.864 0.908 1.00 72.52 H new ATOM 0 HD11 LEU A 5 -22.039 4.903 0.338 1.00 53.14 H new ATOM 0 HD12 LEU A 5 -21.159 4.243 -1.061 1.00 53.14 H new ATOM 0 HD13 LEU A 5 -22.918 4.007 -0.925 1.00 53.14 H new ATOM 0 HD21 LEU A 5 -22.854 3.391 2.136 1.00 24.41 H new ATOM 0 HD22 LEU A 5 -23.785 2.397 0.991 1.00 24.41 H new ATOM 0 HD23 LEU A 5 -22.562 1.639 2.038 1.00 24.41 H new ATOM 63 N PHE A 6 -19.168 -0.445 -1.402 1.00 3.21 N ATOM 64 CA PHE A 6 -18.065 -1.289 -0.977 1.00 33.53 C ATOM 65 C PHE A 6 -16.774 -0.913 -1.707 1.00 54.11 C ATOM 66 O PHE A 6 -15.688 -0.982 -1.132 1.00 43.11 O ATOM 67 CB PHE A 6 -18.439 -2.729 -1.338 1.00 3.03 C ATOM 68 CG PHE A 6 -17.721 -3.787 -0.498 1.00 12.11 C ATOM 69 CD1 PHE A 6 -18.356 -4.363 0.557 1.00 64.13 C ATOM 70 CD2 PHE A 6 -16.448 -4.151 -0.808 1.00 55.55 C ATOM 71 CE1 PHE A 6 -17.691 -5.346 1.337 1.00 71.31 C ATOM 72 CE2 PHE A 6 -15.782 -5.134 -0.028 1.00 50.33 C ATOM 73 CZ PHE A 6 -16.418 -5.711 1.028 1.00 14.13 C ATOM 0 H PHE A 6 -19.841 -0.900 -2.019 1.00 3.21 H new ATOM 0 HA PHE A 6 -17.895 -1.168 0.093 1.00 33.53 H new ATOM 0 HB2 PHE A 6 -19.515 -2.855 -1.220 1.00 3.03 H new ATOM 0 HB3 PHE A 6 -18.212 -2.900 -2.390 1.00 3.03 H new ATOM 0 HD1 PHE A 6 -19.367 -4.073 0.802 1.00 64.13 H new ATOM 0 HD2 PHE A 6 -15.944 -3.693 -1.646 1.00 55.55 H new ATOM 0 HE1 PHE A 6 -18.196 -5.803 2.175 1.00 71.31 H new ATOM 0 HE2 PHE A 6 -14.771 -5.424 -0.273 1.00 50.33 H new ATOM 0 HZ PHE A 6 -15.912 -6.459 1.620 1.00 14.13 H new ATOM 83 N LEU A 7 -16.934 -0.522 -2.963 1.00 41.33 N ATOM 84 CA LEU A 7 -15.795 -0.134 -3.778 1.00 53.33 C ATOM 85 C LEU A 7 -14.986 0.933 -3.039 1.00 11.30 C ATOM 86 O LEU A 7 -13.769 1.019 -3.201 1.00 31.42 O ATOM 87 CB LEU A 7 -16.255 0.297 -5.171 1.00 32.13 C ATOM 88 CG LEU A 7 -16.237 -0.788 -6.249 1.00 72.11 C ATOM 89 CD1 LEU A 7 -17.074 -1.996 -5.825 1.00 2.21 C ATOM 90 CD2 LEU A 7 -16.685 -0.226 -7.601 1.00 70.04 C ATOM 0 H LEU A 7 -17.836 -0.466 -3.436 1.00 41.33 H new ATOM 0 HA LEU A 7 -15.132 -0.984 -3.937 1.00 53.33 H new ATOM 0 HB2 LEU A 7 -17.270 0.686 -5.092 1.00 32.13 H new ATOM 0 HB3 LEU A 7 -15.622 1.121 -5.502 1.00 32.13 H new ATOM 0 HG LEU A 7 -15.210 -1.134 -6.368 1.00 72.11 H new ATOM 0 HD11 LEU A 7 -17.044 -2.753 -6.609 1.00 2.21 H new ATOM 0 HD12 LEU A 7 -16.670 -2.413 -4.903 1.00 2.21 H new ATOM 0 HD13 LEU A 7 -18.105 -1.684 -5.660 1.00 2.21 H new ATOM 0 HD21 LEU A 7 -16.663 -1.018 -8.350 1.00 70.04 H new ATOM 0 HD22 LEU A 7 -17.699 0.164 -7.515 1.00 70.04 H new ATOM 0 HD23 LEU A 7 -16.012 0.577 -7.902 1.00 70.04 H new ATOM 102 N GLY A 8 -15.693 1.722 -2.243 1.00 33.53 N ATOM 103 CA GLY A 8 -15.055 2.780 -1.479 1.00 3.34 C ATOM 104 C GLY A 8 -14.283 2.210 -0.289 1.00 70.14 C ATOM 105 O GLY A 8 -13.257 2.758 0.112 1.00 33.41 O ATOM 0 H GLY A 8 -16.702 1.649 -2.111 1.00 33.53 H new ATOM 0 HA2 GLY A 8 -14.376 3.339 -2.123 1.00 3.34 H new ATOM 0 HA3 GLY A 8 -15.809 3.483 -1.124 1.00 3.34 H new ATOM 109 N PHE A 9 -14.804 1.114 0.243 1.00 70.33 N ATOM 110 CA PHE A 9 -14.177 0.462 1.379 1.00 55.13 C ATOM 111 C PHE A 9 -12.945 -0.335 0.944 1.00 24.25 C ATOM 112 O PHE A 9 -11.853 -0.136 1.473 1.00 54.23 O ATOM 113 CB PHE A 9 -15.209 -0.500 1.970 1.00 42.14 C ATOM 114 CG PHE A 9 -14.786 -1.128 3.299 1.00 43.43 C ATOM 115 CD1 PHE A 9 -14.818 -0.388 4.441 1.00 72.22 C ATOM 116 CD2 PHE A 9 -14.377 -2.424 3.341 1.00 20.40 C ATOM 117 CE1 PHE A 9 -14.426 -0.971 5.675 1.00 52.11 C ATOM 118 CE2 PHE A 9 -13.985 -3.007 4.575 1.00 30.22 C ATOM 119 CZ PHE A 9 -14.018 -2.268 5.716 1.00 15.22 C ATOM 0 H PHE A 9 -15.654 0.661 -0.092 1.00 70.33 H new ATOM 0 HA PHE A 9 -13.855 1.209 2.104 1.00 55.13 H new ATOM 0 HB2 PHE A 9 -16.148 0.035 2.115 1.00 42.14 H new ATOM 0 HB3 PHE A 9 -15.403 -1.295 1.250 1.00 42.14 H new ATOM 0 HD1 PHE A 9 -15.141 0.642 4.409 1.00 72.22 H new ATOM 0 HD2 PHE A 9 -14.350 -3.011 2.435 1.00 20.40 H new ATOM 0 HE1 PHE A 9 -14.452 -0.384 6.581 1.00 52.11 H new ATOM 0 HE2 PHE A 9 -13.661 -4.037 4.607 1.00 30.22 H new ATOM 0 HZ PHE A 9 -13.720 -2.711 6.655 1.00 15.22 H new ATOM 129 N LEU A 10 -13.163 -1.219 -0.019 1.00 13.10 N ATOM 130 CA LEU A 10 -12.085 -2.048 -0.533 1.00 11.54 C ATOM 131 C LEU A 10 -11.038 -1.155 -1.203 1.00 43.21 C ATOM 132 O LEU A 10 -9.840 -1.417 -1.107 1.00 43.42 O ATOM 133 CB LEU A 10 -12.638 -3.140 -1.449 1.00 41.22 C ATOM 134 CG LEU A 10 -12.557 -2.861 -2.951 1.00 72.34 C ATOM 135 CD1 LEU A 10 -11.116 -2.966 -3.451 1.00 33.25 C ATOM 136 CD2 LEU A 10 -13.502 -3.778 -3.730 1.00 31.15 C ATOM 0 H LEU A 10 -14.070 -1.379 -0.457 1.00 13.10 H new ATOM 0 HA LEU A 10 -11.585 -2.572 0.282 1.00 11.54 H new ATOM 0 HB2 LEU A 10 -12.101 -4.066 -1.242 1.00 41.22 H new ATOM 0 HB3 LEU A 10 -13.682 -3.312 -1.187 1.00 41.22 H new ATOM 0 HG LEU A 10 -12.885 -1.836 -3.126 1.00 72.34 H new ATOM 0 HD11 LEU A 10 -11.087 -2.763 -4.522 1.00 33.25 H new ATOM 0 HD12 LEU A 10 -10.495 -2.239 -2.927 1.00 33.25 H new ATOM 0 HD13 LEU A 10 -10.737 -3.970 -3.262 1.00 33.25 H new ATOM 0 HD21 LEU A 10 -13.425 -3.559 -4.795 1.00 31.15 H new ATOM 0 HD22 LEU A 10 -13.228 -4.818 -3.552 1.00 31.15 H new ATOM 0 HD23 LEU A 10 -14.527 -3.611 -3.398 1.00 31.15 H new ATOM 148 N GLY A 11 -11.528 -0.118 -1.868 1.00 55.12 N ATOM 149 CA GLY A 11 -10.650 0.814 -2.554 1.00 61.35 C ATOM 150 C GLY A 11 -9.633 1.422 -1.586 1.00 53.25 C ATOM 151 O GLY A 11 -8.429 1.378 -1.836 1.00 72.24 O ATOM 0 H GLY A 11 -12.522 0.097 -1.946 1.00 55.12 H new ATOM 0 HA2 GLY A 11 -10.127 0.300 -3.361 1.00 61.35 H new ATOM 0 HA3 GLY A 11 -11.241 1.607 -3.011 1.00 61.35 H new ATOM 155 N ALA A 12 -10.154 1.977 -0.501 1.00 32.43 N ATOM 156 CA ALA A 12 -9.305 2.592 0.505 1.00 2.12 C ATOM 157 C ALA A 12 -8.331 1.549 1.054 1.00 31.31 C ATOM 158 O ALA A 12 -7.148 1.834 1.236 1.00 13.00 O ATOM 159 CB ALA A 12 -10.178 3.208 1.601 1.00 72.41 C ATOM 0 H ALA A 12 -11.153 2.013 -0.297 1.00 32.43 H new ATOM 0 HA ALA A 12 -8.713 3.396 0.067 1.00 2.12 H new ATOM 0 HB1 ALA A 12 -9.542 3.670 2.356 1.00 72.41 H new ATOM 0 HB2 ALA A 12 -10.830 3.964 1.164 1.00 72.41 H new ATOM 0 HB3 ALA A 12 -10.784 2.429 2.064 1.00 72.41 H new ATOM 165 N ALA A 13 -8.863 0.360 1.301 1.00 1.24 N ATOM 166 CA ALA A 13 -8.055 -0.727 1.824 1.00 21.00 C ATOM 167 C ALA A 13 -6.899 -1.006 0.863 1.00 35.12 C ATOM 168 O ALA A 13 -5.765 -1.214 1.292 1.00 50.13 O ATOM 169 CB ALA A 13 -8.938 -1.957 2.048 1.00 54.41 C ATOM 0 H ALA A 13 -9.844 0.127 1.148 1.00 1.24 H new ATOM 0 HA ALA A 13 -7.623 -0.456 2.787 1.00 21.00 H new ATOM 0 HB1 ALA A 13 -8.332 -2.773 2.441 1.00 54.41 H new ATOM 0 HB2 ALA A 13 -9.726 -1.714 2.761 1.00 54.41 H new ATOM 0 HB3 ALA A 13 -9.386 -2.260 1.102 1.00 54.41 H new ATOM 175 N GLY A 14 -7.225 -1.001 -0.422 1.00 54.15 N ATOM 176 CA GLY A 14 -6.227 -1.252 -1.448 1.00 54.04 C ATOM 177 C GLY A 14 -5.146 -0.169 -1.438 1.00 25.52 C ATOM 178 O GLY A 14 -3.963 -0.468 -1.286 1.00 71.21 O ATOM 0 H GLY A 14 -8.166 -0.827 -0.775 1.00 54.15 H new ATOM 0 HA2 GLY A 14 -5.770 -2.228 -1.285 1.00 54.04 H new ATOM 0 HA3 GLY A 14 -6.706 -1.284 -2.427 1.00 54.04 H new ATOM 182 N SER A 15 -5.592 1.068 -1.603 1.00 41.54 N ATOM 183 CA SER A 15 -4.678 2.198 -1.614 1.00 61.10 C ATOM 184 C SER A 15 -3.718 2.106 -0.426 1.00 34.44 C ATOM 185 O SER A 15 -2.502 2.046 -0.610 1.00 70.44 O ATOM 186 CB SER A 15 -5.441 3.524 -1.578 1.00 15.04 C ATOM 187 OG SER A 15 -4.574 4.632 -1.356 1.00 54.44 O ATOM 0 H SER A 15 -6.574 1.312 -1.730 1.00 41.54 H new ATOM 0 HA SER A 15 -4.104 2.165 -2.540 1.00 61.10 H new ATOM 0 HB2 SER A 15 -5.972 3.662 -2.520 1.00 15.04 H new ATOM 0 HB3 SER A 15 -6.193 3.488 -0.790 1.00 15.04 H new ATOM 0 HG SER A 15 -5.098 5.460 -1.341 1.00 54.44 H new ATOM 193 N LYS A 16 -4.298 2.098 0.765 1.00 13.04 N ATOM 194 CA LYS A 16 -3.508 2.015 1.982 1.00 23.32 C ATOM 195 C LYS A 16 -2.497 0.875 1.850 1.00 54.14 C ATOM 196 O LYS A 16 -1.300 1.117 1.697 1.00 23.12 O ATOM 197 CB LYS A 16 -4.421 1.890 3.204 1.00 34.43 C ATOM 198 CG LYS A 16 -3.610 1.570 4.462 1.00 35.21 C ATOM 199 CD LYS A 16 -3.941 2.548 5.591 1.00 32.02 C ATOM 200 CE LYS A 16 -3.755 1.890 6.959 1.00 60.12 C ATOM 201 NZ LYS A 16 -4.810 0.879 7.195 1.00 31.41 N ATOM 0 H LYS A 16 -5.306 2.148 0.913 1.00 13.04 H new ATOM 0 HA LYS A 16 -2.938 2.932 2.131 1.00 23.32 H new ATOM 0 HB2 LYS A 16 -4.971 2.820 3.348 1.00 34.43 H new ATOM 0 HB3 LYS A 16 -5.159 1.106 3.033 1.00 34.43 H new ATOM 0 HG2 LYS A 16 -3.821 0.551 4.785 1.00 35.21 H new ATOM 0 HG3 LYS A 16 -2.545 1.618 4.235 1.00 35.21 H new ATOM 0 HD2 LYS A 16 -3.300 3.426 5.516 1.00 32.02 H new ATOM 0 HD3 LYS A 16 -4.969 2.894 5.487 1.00 32.02 H new ATOM 0 HE2 LYS A 16 -2.773 1.419 7.012 1.00 60.12 H new ATOM 0 HE3 LYS A 16 -3.788 2.648 7.741 1.00 60.12 H new ATOM 0 HZ1 LYS A 16 -4.934 0.739 8.218 1.00 31.41 H new ATOM 0 HZ2 LYS A 16 -5.705 1.208 6.780 1.00 31.41 H new ATOM 0 HZ3 LYS A 16 -4.533 -0.021 6.753 1.00 31.41 H new ATOM 214 N LYS A 17 -3.013 -0.343 1.916 1.00 32.22 N ATOM 215 CA LYS A 17 -2.169 -1.521 1.806 1.00 50.22 C ATOM 216 C LYS A 17 -1.824 -1.761 0.336 1.00 2.43 C ATOM 217 O LYS A 17 -2.301 -2.720 -0.269 1.00 34.12 O ATOM 218 CB LYS A 17 -2.833 -2.720 2.486 1.00 62.31 C ATOM 219 CG LYS A 17 -1.810 -3.536 3.279 1.00 74.11 C ATOM 220 CD LYS A 17 -1.861 -3.183 4.767 1.00 2.51 C ATOM 221 CE LYS A 17 -2.660 -4.224 5.552 1.00 70.45 C ATOM 222 NZ LYS A 17 -3.565 -3.564 6.519 1.00 33.53 N ATOM 0 H LYS A 17 -4.006 -0.540 2.044 1.00 32.22 H new ATOM 0 HA LYS A 17 -1.227 -1.366 2.333 1.00 50.22 H new ATOM 0 HB2 LYS A 17 -3.623 -2.373 3.153 1.00 62.31 H new ATOM 0 HB3 LYS A 17 -3.305 -3.353 1.735 1.00 62.31 H new ATOM 0 HG2 LYS A 17 -2.007 -4.600 3.147 1.00 74.11 H new ATOM 0 HG3 LYS A 17 -0.809 -3.347 2.891 1.00 74.11 H new ATOM 0 HD2 LYS A 17 -0.848 -3.122 5.164 1.00 2.51 H new ATOM 0 HD3 LYS A 17 -2.314 -2.200 4.896 1.00 2.51 H new ATOM 0 HE2 LYS A 17 -3.240 -4.840 4.864 1.00 70.45 H new ATOM 0 HE3 LYS A 17 -1.979 -4.891 6.080 1.00 70.45 H new ATOM 0 HZ1 LYS A 17 -4.099 -4.286 7.043 1.00 33.53 H new ATOM 0 HZ2 LYS A 17 -3.005 -2.996 7.186 1.00 33.53 H new ATOM 0 HZ3 LYS A 17 -4.227 -2.946 6.008 1.00 33.53 H new ATOM 254 N LYS A 19 5.790 -3.677 -1.501 1.00 12.21 N ATOM 255 CA LYS A 19 6.230 -4.735 -2.395 1.00 54.54 C ATOM 256 C LYS A 19 6.388 -6.034 -1.601 1.00 3.54 C ATOM 257 O LYS A 19 6.343 -6.024 -0.372 1.00 13.20 O ATOM 258 CB LYS A 19 7.497 -4.314 -3.141 1.00 2.33 C ATOM 259 CG LYS A 19 7.351 -2.903 -3.717 1.00 43.32 C ATOM 260 CD LYS A 19 8.422 -2.627 -4.773 1.00 71.43 C ATOM 261 CE LYS A 19 9.790 -2.411 -4.124 1.00 11.15 C ATOM 262 NZ LYS A 19 10.869 -2.889 -5.017 1.00 32.22 N ATOM 0 HA LYS A 19 5.481 -4.919 -3.165 1.00 54.54 H new ATOM 0 HB2 LYS A 19 8.350 -4.348 -2.464 1.00 2.33 H new ATOM 0 HB3 LYS A 19 7.701 -5.020 -3.946 1.00 2.33 H new ATOM 0 HG2 LYS A 19 6.361 -2.788 -4.159 1.00 43.32 H new ATOM 0 HG3 LYS A 19 7.429 -2.169 -2.915 1.00 43.32 H new ATOM 0 HD2 LYS A 19 8.474 -3.463 -5.470 1.00 71.43 H new ATOM 0 HD3 LYS A 19 8.147 -1.746 -5.353 1.00 71.43 H new ATOM 0 HE2 LYS A 19 9.933 -1.353 -3.906 1.00 11.15 H new ATOM 0 HE3 LYS A 19 9.836 -2.941 -3.173 1.00 11.15 H new ATOM 0 HZ1 LYS A 19 11.791 -2.735 -4.561 1.00 32.22 H new ATOM 0 HZ2 LYS A 19 10.741 -3.904 -5.204 1.00 32.22 H new ATOM 0 HZ3 LYS A 19 10.835 -2.365 -5.914 1.00 32.22 H new ATOM 275 N ASN A 20 6.568 -7.121 -2.337 1.00 30.13 N ATOM 276 CA ASN A 20 6.733 -8.425 -1.718 1.00 2.33 C ATOM 277 C ASN A 20 8.051 -9.045 -2.186 1.00 0.21 C ATOM 278 O ASN A 20 8.323 -9.101 -3.384 1.00 71.02 O ATOM 279 CB ASN A 20 5.597 -9.371 -2.116 1.00 15.34 C ATOM 280 CG ASN A 20 4.848 -9.878 -0.883 1.00 2.43 C ATOM 281 OD1 ASN A 20 3.781 -9.399 -0.532 1.00 15.24 O ATOM 282 ND2 ASN A 20 5.462 -10.871 -0.246 1.00 0.31 N ATOM 0 H ASN A 20 6.603 -7.125 -3.356 1.00 30.13 H new ATOM 0 HA ASN A 20 6.727 -8.288 -0.637 1.00 2.33 H new ATOM 0 HB2 ASN A 20 4.904 -8.854 -2.780 1.00 15.34 H new ATOM 0 HB3 ASN A 20 6.001 -10.216 -2.673 1.00 15.34 H new ATOM 0 HD21 ASN A 20 5.041 -11.278 0.589 1.00 0.31 H new ATOM 0 HD22 ASN A 20 6.353 -11.225 -0.593 1.00 0.31 H new ATOM 289 N GLU A 21 8.834 -9.494 -1.216 1.00 24.03 N ATOM 290 CA GLU A 21 10.118 -10.107 -1.513 1.00 25.33 C ATOM 291 C GLU A 21 9.915 -11.518 -2.070 1.00 42.23 C ATOM 292 O GLU A 21 10.649 -11.950 -2.957 1.00 61.12 O ATOM 293 CB GLU A 21 11.015 -10.130 -0.275 1.00 42.40 C ATOM 294 CG GLU A 21 10.404 -10.995 0.829 1.00 51.33 C ATOM 295 CD GLU A 21 11.320 -11.049 2.053 1.00 43.54 C ATOM 296 OE1 GLU A 21 12.395 -10.430 2.052 1.00 24.55 O ATOM 297 OE2 GLU A 21 10.880 -11.764 3.033 1.00 24.14 O ATOM 0 H GLU A 21 8.604 -9.446 -0.223 1.00 24.03 H new ATOM 0 HA GLU A 21 10.619 -9.506 -2.272 1.00 25.33 H new ATOM 0 HB2 GLU A 21 11.999 -10.516 -0.542 1.00 42.40 H new ATOM 0 HB3 GLU A 21 11.160 -9.114 0.092 1.00 42.40 H new ATOM 0 HG2 GLU A 21 9.432 -10.593 1.115 1.00 51.33 H new ATOM 0 HG3 GLU A 21 10.233 -12.004 0.453 1.00 51.33 H new ATOM 305 N GLN A 22 8.916 -12.196 -1.525 1.00 43.02 N ATOM 306 CA GLN A 22 8.607 -13.549 -1.955 1.00 71.42 C ATOM 307 C GLN A 22 8.275 -13.569 -3.449 1.00 40.42 C ATOM 308 O GLN A 22 8.599 -14.527 -4.148 1.00 65.41 O ATOM 309 CB GLN A 22 7.462 -14.140 -1.131 1.00 44.13 C ATOM 310 CG GLN A 22 7.912 -15.399 -0.389 1.00 51.43 C ATOM 311 CD GLN A 22 8.232 -15.088 1.075 1.00 52.43 C ATOM 312 OE1 GLN A 22 7.363 -14.791 1.877 1.00 44.33 O ATOM 313 NE2 GLN A 22 9.526 -15.171 1.376 1.00 25.43 N ATOM 0 H GLN A 22 8.310 -11.834 -0.789 1.00 43.02 H new ATOM 0 HA GLN A 22 9.487 -14.171 -1.790 1.00 71.42 H new ATOM 0 HB2 GLN A 22 7.105 -13.400 -0.415 1.00 44.13 H new ATOM 0 HB3 GLN A 22 6.624 -14.380 -1.786 1.00 44.13 H new ATOM 0 HG2 GLN A 22 7.129 -16.155 -0.441 1.00 51.43 H new ATOM 0 HG3 GLN A 22 8.793 -15.818 -0.876 1.00 51.43 H new ATOM 0 HE21 GLN A 22 10.202 -15.425 0.656 1.00 25.43 H new ATOM 0 HE22 GLN A 22 9.842 -14.980 2.327 1.00 25.43 H new ATOM 322 N GLU A 23 7.633 -12.498 -3.894 1.00 44.34 N ATOM 323 CA GLU A 23 7.252 -12.380 -5.291 1.00 12.01 C ATOM 324 C GLU A 23 8.496 -12.202 -6.165 1.00 60.41 C ATOM 325 O GLU A 23 8.535 -12.679 -7.299 1.00 64.40 O ATOM 326 CB GLU A 23 6.268 -11.226 -5.496 1.00 53.14 C ATOM 327 CG GLU A 23 4.886 -11.581 -4.945 1.00 40.31 C ATOM 328 CD GLU A 23 3.834 -10.574 -5.415 1.00 61.21 C ATOM 329 OE1 GLU A 23 4.155 -9.395 -5.624 1.00 44.22 O ATOM 330 OE2 GLU A 23 2.647 -11.055 -5.563 1.00 71.35 O ATOM 0 H GLU A 23 7.367 -11.704 -3.311 1.00 44.34 H new ATOM 0 HA GLU A 23 6.749 -13.299 -5.590 1.00 12.01 H new ATOM 0 HB2 GLU A 23 6.643 -10.331 -4.999 1.00 53.14 H new ATOM 0 HB3 GLU A 23 6.191 -10.993 -6.558 1.00 53.14 H new ATOM 0 HG2 GLU A 23 4.607 -12.583 -5.271 1.00 40.31 H new ATOM 0 HG3 GLU A 23 4.918 -11.597 -3.856 1.00 40.31 H new ATOM 338 N LEU A 24 9.480 -11.516 -5.606 1.00 53.31 N ATOM 339 CA LEU A 24 10.721 -11.269 -6.321 1.00 51.14 C ATOM 340 C LEU A 24 11.556 -12.552 -6.343 1.00 43.33 C ATOM 341 O LEU A 24 12.239 -12.836 -7.325 1.00 11.51 O ATOM 342 CB LEU A 24 11.456 -10.069 -5.722 1.00 45.13 C ATOM 343 CG LEU A 24 11.714 -8.898 -6.673 1.00 45.43 C ATOM 344 CD1 LEU A 24 12.736 -9.278 -7.745 1.00 24.53 C ATOM 345 CD2 LEU A 24 10.406 -8.387 -7.281 1.00 4.21 C ATOM 0 H LEU A 24 9.444 -11.123 -4.666 1.00 53.31 H new ATOM 0 HA LEU A 24 10.516 -11.003 -7.358 1.00 51.14 H new ATOM 0 HB2 LEU A 24 10.879 -9.702 -4.873 1.00 45.13 H new ATOM 0 HB3 LEU A 24 12.414 -10.413 -5.332 1.00 45.13 H new ATOM 0 HG LEU A 24 12.142 -8.078 -6.097 1.00 45.43 H new ATOM 0 HD11 LEU A 24 12.901 -8.428 -8.408 1.00 24.53 H new ATOM 0 HD12 LEU A 24 13.677 -9.555 -7.269 1.00 24.53 H new ATOM 0 HD13 LEU A 24 12.360 -10.122 -8.324 1.00 24.53 H new ATOM 0 HD21 LEU A 24 10.618 -7.555 -7.953 1.00 4.21 H new ATOM 0 HD22 LEU A 24 9.926 -9.191 -7.839 1.00 4.21 H new ATOM 0 HD23 LEU A 24 9.742 -8.051 -6.485 1.00 4.21 H new ATOM 357 N LEU A 25 11.473 -13.292 -5.247 1.00 60.43 N ATOM 358 CA LEU A 25 12.211 -14.538 -5.128 1.00 52.20 C ATOM 359 C LEU A 25 11.583 -15.589 -6.045 1.00 30.00 C ATOM 360 O LEU A 25 12.281 -16.452 -6.575 1.00 33.31 O ATOM 361 CB LEU A 25 12.296 -14.973 -3.663 1.00 51.42 C ATOM 362 CG LEU A 25 12.867 -16.369 -3.409 1.00 30.42 C ATOM 363 CD1 LEU A 25 14.220 -16.288 -2.699 1.00 72.32 C ATOM 364 CD2 LEU A 25 11.868 -17.240 -2.644 1.00 10.31 C ATOM 0 H LEU A 25 10.906 -13.053 -4.434 1.00 60.43 H new ATOM 0 HA LEU A 25 13.241 -14.402 -5.457 1.00 52.20 H new ATOM 0 HB2 LEU A 25 12.907 -14.249 -3.125 1.00 51.42 H new ATOM 0 HB3 LEU A 25 11.296 -14.928 -3.233 1.00 51.42 H new ATOM 0 HG LEU A 25 13.038 -16.848 -4.373 1.00 30.42 H new ATOM 0 HD11 LEU A 25 14.603 -17.294 -2.531 1.00 72.32 H new ATOM 0 HD12 LEU A 25 14.923 -15.731 -3.318 1.00 72.32 H new ATOM 0 HD13 LEU A 25 14.099 -15.781 -1.742 1.00 72.32 H new ATOM 0 HD21 LEU A 25 12.299 -18.227 -2.477 1.00 10.31 H new ATOM 0 HD22 LEU A 25 11.641 -16.776 -1.684 1.00 10.31 H new ATOM 0 HD23 LEU A 25 10.951 -17.338 -3.225 1.00 10.31 H new ATOM 376 N GLU A 26 10.272 -15.481 -6.205 1.00 32.00 N ATOM 377 CA GLU A 26 9.542 -16.410 -7.049 1.00 64.50 C ATOM 378 C GLU A 26 10.049 -16.330 -8.490 1.00 11.14 C ATOM 379 O GLU A 26 10.129 -17.344 -9.182 1.00 53.41 O ATOM 380 CB GLU A 26 8.036 -16.146 -6.982 1.00 34.05 C ATOM 381 CG GLU A 26 7.324 -16.723 -8.207 1.00 4.03 C ATOM 382 CD GLU A 26 7.507 -18.240 -8.285 1.00 42.33 C ATOM 383 OE1 GLU A 26 7.739 -18.890 -7.255 1.00 21.43 O ATOM 384 OE2 GLU A 26 7.400 -18.741 -9.468 1.00 60.52 O ATOM 0 H GLU A 26 9.697 -14.764 -5.764 1.00 32.00 H new ATOM 0 HA GLU A 26 9.717 -17.420 -6.679 1.00 64.50 H new ATOM 0 HB2 GLU A 26 7.625 -16.590 -6.075 1.00 34.05 H new ATOM 0 HB3 GLU A 26 7.853 -15.073 -6.922 1.00 34.05 H new ATOM 0 HG2 GLU A 26 6.262 -16.483 -8.161 1.00 4.03 H new ATOM 0 HG3 GLU A 26 7.716 -16.259 -9.112 1.00 4.03 H new ATOM 392 N LEU A 27 10.378 -15.113 -8.901 1.00 51.04 N ATOM 393 CA LEU A 27 10.875 -14.886 -10.246 1.00 34.51 C ATOM 394 C LEU A 27 12.157 -15.695 -10.455 1.00 61.42 C ATOM 395 O LEU A 27 12.422 -16.174 -11.558 1.00 5.34 O ATOM 396 CB LEU A 27 11.043 -13.389 -10.511 1.00 13.22 C ATOM 397 CG LEU A 27 10.750 -12.922 -11.937 1.00 35.41 C ATOM 398 CD1 LEU A 27 11.797 -13.458 -12.916 1.00 21.22 C ATOM 399 CD2 LEU A 27 9.327 -13.299 -12.356 1.00 34.42 C ATOM 0 H LEU A 27 10.310 -14.274 -8.325 1.00 51.04 H new ATOM 0 HA LEU A 27 10.152 -15.237 -10.983 1.00 34.51 H new ATOM 0 HB2 LEU A 27 10.389 -12.844 -9.830 1.00 13.22 H new ATOM 0 HB3 LEU A 27 12.066 -13.109 -10.262 1.00 13.22 H new ATOM 0 HG LEU A 27 10.815 -11.834 -11.960 1.00 35.41 H new ATOM 0 HD11 LEU A 27 11.565 -13.111 -13.923 1.00 21.22 H new ATOM 0 HD12 LEU A 27 12.784 -13.098 -12.626 1.00 21.22 H new ATOM 0 HD13 LEU A 27 11.789 -14.548 -12.897 1.00 21.22 H new ATOM 0 HD21 LEU A 27 9.144 -12.955 -13.374 1.00 34.42 H new ATOM 0 HD22 LEU A 27 9.210 -14.382 -12.312 1.00 34.42 H new ATOM 0 HD23 LEU A 27 8.612 -12.829 -11.681 1.00 34.42 H new ATOM 411 N ASP A 28 12.919 -15.824 -9.380 1.00 52.02 N ATOM 412 CA ASP A 28 14.167 -16.568 -9.431 1.00 42.50 C ATOM 413 C ASP A 28 13.885 -17.997 -9.899 1.00 14.22 C ATOM 414 O ASP A 28 14.621 -18.541 -10.721 1.00 53.52 O ATOM 415 CB ASP A 28 14.820 -16.643 -8.050 1.00 15.52 C ATOM 416 CG ASP A 28 16.341 -16.815 -8.063 1.00 70.14 C ATOM 417 OD1 ASP A 28 16.903 -17.462 -8.959 1.00 11.51 O ATOM 418 OD2 ASP A 28 16.963 -16.245 -7.086 1.00 45.13 O ATOM 0 H ASP A 28 12.697 -15.426 -8.467 1.00 52.02 H new ATOM 0 HA ASP A 28 14.838 -16.054 -10.120 1.00 42.50 H new ATOM 0 HB2 ASP A 28 14.577 -15.734 -7.500 1.00 15.52 H new ATOM 0 HB3 ASP A 28 14.380 -17.475 -7.501 1.00 15.52 H new ATOM 424 N LYS A 29 12.819 -18.564 -9.356 1.00 43.24 N ATOM 425 CA LYS A 29 12.431 -19.920 -9.707 1.00 23.01 C ATOM 426 C LYS A 29 11.801 -19.919 -11.101 1.00 64.15 C ATOM 427 O LYS A 29 11.880 -20.913 -11.822 1.00 14.34 O ATOM 428 CB LYS A 29 11.529 -20.517 -8.624 1.00 13.42 C ATOM 429 CG LYS A 29 10.871 -21.810 -9.111 1.00 45.31 C ATOM 430 CD LYS A 29 10.640 -22.778 -7.949 1.00 31.14 C ATOM 431 CE LYS A 29 11.906 -23.583 -7.647 1.00 65.31 C ATOM 432 NZ LYS A 29 12.030 -24.724 -8.582 1.00 32.11 N ATOM 0 H LYS A 29 12.211 -18.109 -8.675 1.00 43.24 H new ATOM 0 HA LYS A 29 13.306 -20.568 -9.752 1.00 23.01 H new ATOM 0 HB2 LYS A 29 12.115 -20.718 -7.727 1.00 13.42 H new ATOM 0 HB3 LYS A 29 10.760 -19.795 -8.347 1.00 13.42 H new ATOM 0 HG2 LYS A 29 9.920 -21.580 -9.592 1.00 45.31 H new ATOM 0 HG3 LYS A 29 11.502 -22.283 -9.863 1.00 45.31 H new ATOM 0 HD2 LYS A 29 10.338 -22.221 -7.062 1.00 31.14 H new ATOM 0 HD3 LYS A 29 9.823 -23.457 -8.193 1.00 31.14 H new ATOM 0 HE2 LYS A 29 12.782 -22.940 -7.731 1.00 65.31 H new ATOM 0 HE3 LYS A 29 11.876 -23.948 -6.620 1.00 65.31 H new ATOM 0 HZ1 LYS A 29 12.894 -25.260 -8.363 1.00 32.11 H new ATOM 0 HZ2 LYS A 29 11.203 -25.346 -8.482 1.00 32.11 H new ATOM 0 HZ3 LYS A 29 12.081 -24.369 -9.558 1.00 32.11 H new ATOM 445 N TRP A 30 11.187 -18.794 -11.438 1.00 71.35 N ATOM 446 CA TRP A 30 10.543 -18.653 -12.733 1.00 44.11 C ATOM 447 C TRP A 30 11.637 -18.576 -13.799 1.00 1.23 C ATOM 448 O TRP A 30 11.380 -18.824 -14.976 1.00 12.25 O ATOM 449 CB TRP A 30 9.606 -17.443 -12.750 1.00 50.44 C ATOM 450 CG TRP A 30 8.656 -17.409 -13.948 1.00 5.31 C ATOM 451 CD1 TRP A 30 7.340 -17.666 -13.966 1.00 43.30 C ATOM 452 CD2 TRP A 30 9.002 -17.086 -15.311 1.00 31.20 C ATOM 453 NE1 TRP A 30 6.816 -17.533 -15.235 1.00 21.22 N ATOM 454 CE2 TRP A 30 7.859 -17.169 -16.079 1.00 63.53 C ATOM 455 CE3 TRP A 30 10.241 -16.736 -15.876 1.00 23.24 C ATOM 456 CZ2 TRP A 30 7.840 -16.917 -17.456 1.00 31.11 C ATOM 457 CZ3 TRP A 30 10.206 -16.487 -17.253 1.00 23.23 C ATOM 458 CH2 TRP A 30 9.063 -16.566 -18.041 1.00 33.31 C ATOM 0 H TRP A 30 11.122 -17.972 -10.837 1.00 71.35 H new ATOM 0 HA TRP A 30 9.910 -19.515 -12.945 1.00 44.11 H new ATOM 0 HB2 TRP A 30 9.018 -17.439 -11.832 1.00 50.44 H new ATOM 0 HB3 TRP A 30 10.205 -16.532 -12.748 1.00 50.44 H new ATOM 0 HD1 TRP A 30 6.763 -17.942 -13.096 1.00 43.30 H new ATOM 0 HE1 TRP A 30 5.843 -17.675 -15.504 1.00 21.22 H new ATOM 0 HE3 TRP A 30 11.148 -16.665 -15.294 1.00 23.24 H new ATOM 0 HZ2 TRP A 30 6.932 -16.989 -18.036 1.00 31.11 H new ATOM 0 HZ3 TRP A 30 11.132 -16.214 -17.738 1.00 23.23 H new ATOM 0 HH2 TRP A 30 9.118 -16.358 -19.099 1.00 33.31 H new ATOM 469 N ALA A 31 12.835 -18.230 -13.349 1.00 41.31 N ATOM 470 CA ALA A 31 13.969 -18.117 -14.250 1.00 0.41 C ATOM 471 C ALA A 31 14.120 -19.419 -15.038 1.00 31.42 C ATOM 472 O ALA A 31 14.573 -19.408 -16.182 1.00 12.13 O ATOM 473 CB ALA A 31 15.225 -17.771 -13.449 1.00 14.20 C ATOM 0 H ALA A 31 13.044 -18.024 -12.372 1.00 41.31 H new ATOM 0 HA ALA A 31 13.810 -17.313 -14.969 1.00 0.41 H new ATOM 0 HB1 ALA A 31 16.076 -17.686 -14.125 1.00 14.20 H new ATOM 0 HB2 ALA A 31 15.077 -16.823 -12.931 1.00 14.20 H new ATOM 0 HB3 ALA A 31 15.419 -18.557 -12.719 1.00 14.20 H new ATOM 479 N SER A 32 13.732 -20.511 -14.396 1.00 24.10 N ATOM 480 CA SER A 32 13.820 -21.819 -15.023 1.00 65.54 C ATOM 481 C SER A 32 13.129 -21.792 -16.388 1.00 40.03 C ATOM 482 O SER A 32 13.540 -22.496 -17.309 1.00 61.44 O ATOM 483 CB SER A 32 13.197 -22.898 -14.135 1.00 44.14 C ATOM 484 OG SER A 32 13.191 -24.174 -14.769 1.00 51.54 O ATOM 0 H SER A 32 13.356 -20.517 -13.448 1.00 24.10 H new ATOM 0 HA SER A 32 14.874 -22.063 -15.160 1.00 65.54 H new ATOM 0 HB2 SER A 32 13.751 -22.961 -13.199 1.00 44.14 H new ATOM 0 HB3 SER A 32 12.175 -22.614 -13.882 1.00 44.14 H new ATOM 0 HG SER A 32 12.787 -24.835 -14.169 1.00 51.54 H new ATOM 490 N LEU A 33 12.091 -20.973 -16.475 1.00 0.54 N ATOM 491 CA LEU A 33 11.340 -20.844 -17.711 1.00 33.34 C ATOM 492 C LEU A 33 12.305 -20.542 -18.860 1.00 22.32 C ATOM 493 O LEU A 33 12.293 -21.226 -19.882 1.00 32.21 O ATOM 494 CB LEU A 33 10.225 -19.808 -17.557 1.00 71.32 C ATOM 495 CG LEU A 33 9.218 -19.730 -18.706 1.00 3.34 C ATOM 496 CD1 LEU A 33 9.934 -19.644 -20.056 1.00 64.25 C ATOM 497 CD2 LEU A 33 8.232 -20.899 -18.652 1.00 20.13 C ATOM 0 H LEU A 33 11.753 -20.392 -15.708 1.00 0.54 H new ATOM 0 HA LEU A 33 10.840 -21.782 -17.951 1.00 33.34 H new ATOM 0 HB2 LEU A 33 9.681 -20.023 -16.637 1.00 71.32 H new ATOM 0 HB3 LEU A 33 10.683 -18.826 -17.434 1.00 71.32 H new ATOM 0 HG LEU A 33 8.637 -18.815 -18.591 1.00 3.34 H new ATOM 0 HD11 LEU A 33 9.196 -19.590 -20.856 1.00 64.25 H new ATOM 0 HD12 LEU A 33 10.561 -18.753 -20.079 1.00 64.25 H new ATOM 0 HD13 LEU A 33 10.556 -20.528 -20.195 1.00 64.25 H new ATOM 0 HD21 LEU A 33 7.527 -20.819 -19.480 1.00 20.13 H new ATOM 0 HD22 LEU A 33 8.778 -21.839 -18.729 1.00 20.13 H new ATOM 0 HD23 LEU A 33 7.687 -20.872 -17.708 1.00 20.13 H new ATOM 509 N TRP A 34 13.118 -19.516 -18.653 1.00 24.22 N ATOM 510 CA TRP A 34 14.087 -19.114 -19.659 1.00 72.13 C ATOM 511 C TRP A 34 14.867 -20.359 -20.087 1.00 53.34 C ATOM 512 O TRP A 34 14.896 -20.704 -21.267 1.00 12.53 O ATOM 513 CB TRP A 34 14.987 -17.994 -19.136 1.00 15.12 C ATOM 514 CG TRP A 34 14.393 -16.593 -19.294 1.00 41.30 C ATOM 515 CD1 TRP A 34 13.593 -15.936 -18.443 1.00 24.02 C ATOM 516 CD2 TRP A 34 14.587 -15.698 -20.409 1.00 23.52 C ATOM 517 NE1 TRP A 34 13.258 -14.687 -18.927 1.00 65.32 N ATOM 518 CE2 TRP A 34 13.880 -14.539 -20.161 1.00 54.53 C ATOM 519 CE3 TRP A 34 15.333 -15.862 -21.590 1.00 74.14 C ATOM 520 CZ2 TRP A 34 13.851 -13.455 -21.046 1.00 12.52 C ATOM 521 CZ3 TRP A 34 15.293 -14.770 -22.464 1.00 32.20 C ATOM 522 CH2 TRP A 34 14.588 -13.595 -22.228 1.00 73.54 C ATOM 0 H TRP A 34 13.126 -18.951 -17.804 1.00 24.22 H new ATOM 0 HA TRP A 34 13.586 -18.699 -20.534 1.00 72.13 H new ATOM 0 HB2 TRP A 34 15.195 -18.172 -18.081 1.00 15.12 H new ATOM 0 HB3 TRP A 34 15.942 -18.034 -19.661 1.00 15.12 H new ATOM 0 HD1 TRP A 34 13.253 -16.333 -17.498 1.00 24.02 H new ATOM 0 HE1 TRP A 34 12.663 -14.000 -18.464 1.00 65.32 H new ATOM 0 HE3 TRP A 34 15.893 -16.760 -21.805 1.00 74.14 H new ATOM 0 HZ2 TRP A 34 13.290 -12.558 -20.829 1.00 12.52 H new ATOM 0 HZ3 TRP A 34 15.849 -14.845 -23.387 1.00 32.20 H new ATOM 0 HH2 TRP A 34 14.609 -12.795 -22.953 1.00 73.54 H new