USER MOD reduce.3.24.130724 H: found=0, std=0, add=254, rem=0, adj=2 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+ 180:sc= 0 (180deg=0) 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 K(o=0,f=-1.3!) USER MOD Single : A 22 GLN : amide:sc= -0.0033 X(o=-0.0033,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 -26.564 -0.718 -5.459 1.00 44.11 N ATOM 9 CA ILE A 2 -25.492 0.127 -4.961 1.00 22.35 C ATOM 10 C ILE A 2 -24.353 -0.754 -4.443 1.00 41.13 C ATOM 11 O ILE A 2 -24.253 -1.004 -3.243 1.00 15.11 O ATOM 12 CB ILE A 2 -26.027 1.114 -3.921 1.00 44.51 C ATOM 13 CG1 ILE A 2 -24.886 1.711 -3.094 1.00 4.12 C ATOM 14 CG2 ILE A 2 -27.091 0.458 -3.039 1.00 42.00 C ATOM 15 CD1 ILE A 2 -25.150 3.186 -2.783 1.00 35.34 C ATOM 0 HA ILE A 2 -25.083 0.738 -5.766 1.00 22.35 H new ATOM 0 HB ILE A 2 -26.509 1.938 -4.448 1.00 44.51 H new ATOM 0 HG12 ILE A 2 -24.775 1.153 -2.164 1.00 4.12 H new ATOM 0 HG13 ILE A 2 -23.947 1.613 -3.638 1.00 4.12 H new ATOM 0 HG21 ILE A 2 -27.454 1.181 -2.309 1.00 42.00 H new ATOM 0 HG22 ILE A 2 -27.921 0.121 -3.660 1.00 42.00 H new ATOM 0 HG23 ILE A 2 -26.657 -0.396 -2.519 1.00 42.00 H new ATOM 0 HD11 ILE A 2 -24.325 3.587 -2.194 1.00 35.34 H new ATOM 0 HD12 ILE A 2 -25.236 3.745 -3.715 1.00 35.34 H new ATOM 0 HD13 ILE A 2 -26.077 3.278 -2.218 1.00 35.34 H new ATOM 27 N GLY A 3 -23.523 -1.199 -5.375 1.00 14.43 N ATOM 28 CA GLY A 3 -22.394 -2.047 -5.028 1.00 44.42 C ATOM 29 C GLY A 3 -21.083 -1.259 -5.071 1.00 24.40 C ATOM 30 O GLY A 3 -20.013 -1.815 -4.831 1.00 32.53 O ATOM 0 H GLY A 3 -23.609 -0.989 -6.369 1.00 14.43 H new ATOM 0 HA2 GLY A 3 -22.540 -2.463 -4.031 1.00 44.42 H new ATOM 0 HA3 GLY A 3 -22.340 -2.888 -5.720 1.00 44.42 H new ATOM 34 N ALA A 4 -21.211 0.023 -5.378 1.00 70.24 N ATOM 35 CA ALA A 4 -20.050 0.893 -5.456 1.00 33.25 C ATOM 36 C ALA A 4 -19.582 1.241 -4.041 1.00 51.33 C ATOM 37 O ALA A 4 -18.383 1.342 -3.786 1.00 12.32 O ATOM 38 CB ALA A 4 -20.396 2.137 -6.278 1.00 10.53 C ATOM 0 H ALA A 4 -22.101 0.480 -5.576 1.00 70.24 H new ATOM 0 HA ALA A 4 -19.227 0.388 -5.961 1.00 33.25 H new ATOM 0 HB1 ALA A 4 -19.524 2.789 -6.336 1.00 10.53 H new ATOM 0 HB2 ALA A 4 -20.693 1.838 -7.283 1.00 10.53 H new ATOM 0 HB3 ALA A 4 -21.218 2.671 -5.801 1.00 10.53 H new ATOM 44 N LEU A 5 -20.555 1.416 -3.158 1.00 10.24 N ATOM 45 CA LEU A 5 -20.258 1.750 -1.775 1.00 45.32 C ATOM 46 C LEU A 5 -19.189 0.795 -1.242 1.00 12.24 C ATOM 47 O LEU A 5 -18.176 1.232 -0.699 1.00 55.03 O ATOM 48 CB LEU A 5 -21.540 1.765 -0.942 1.00 4.25 C ATOM 49 CG LEU A 5 -21.356 1.662 0.574 1.00 62.21 C ATOM 50 CD1 LEU A 5 -20.795 2.964 1.148 1.00 32.12 C ATOM 51 CD2 LEU A 5 -22.661 1.251 1.259 1.00 62.20 C ATOM 0 H LEU A 5 -21.549 1.333 -3.373 1.00 10.24 H new ATOM 0 HA LEU A 5 -19.848 2.757 -1.706 1.00 45.32 H new ATOM 0 HB2 LEU A 5 -22.081 2.686 -1.161 1.00 4.25 H new ATOM 0 HB3 LEU A 5 -22.172 0.939 -1.268 1.00 4.25 H new ATOM 0 HG LEU A 5 -20.625 0.879 0.776 1.00 62.21 H new ATOM 0 HD11 LEU A 5 -20.674 2.864 2.227 1.00 32.12 H new ATOM 0 HD12 LEU A 5 -19.828 3.175 0.692 1.00 32.12 H new ATOM 0 HD13 LEU A 5 -21.483 3.782 0.935 1.00 32.12 H new ATOM 0 HD21 LEU A 5 -22.502 1.185 2.335 1.00 62.20 H new ATOM 0 HD22 LEU A 5 -23.431 1.994 1.051 1.00 62.20 H new ATOM 0 HD23 LEU A 5 -22.981 0.281 0.880 1.00 62.20 H new ATOM 63 N PHE A 6 -19.453 -0.493 -1.414 1.00 15.00 N ATOM 64 CA PHE A 6 -18.525 -1.514 -0.957 1.00 54.11 C ATOM 65 C PHE A 6 -17.151 -1.338 -1.607 1.00 25.31 C ATOM 66 O PHE A 6 -16.128 -1.648 -0.998 1.00 25.21 O ATOM 67 CB PHE A 6 -19.105 -2.866 -1.377 1.00 74.13 C ATOM 68 CG PHE A 6 -18.735 -4.019 -0.444 1.00 1.43 C ATOM 69 CD1 PHE A 6 -19.642 -4.483 0.457 1.00 62.21 C ATOM 70 CD2 PHE A 6 -17.499 -4.582 -0.515 1.00 4.13 C ATOM 71 CE1 PHE A 6 -19.299 -5.554 1.324 1.00 33.43 C ATOM 72 CE2 PHE A 6 -17.156 -5.654 0.352 1.00 72.23 C ATOM 73 CZ PHE A 6 -18.063 -6.116 1.253 1.00 11.24 C ATOM 0 H PHE A 6 -20.295 -0.852 -1.863 1.00 15.00 H new ATOM 0 HA PHE A 6 -18.398 -1.443 0.123 1.00 54.11 H new ATOM 0 HB2 PHE A 6 -20.191 -2.785 -1.424 1.00 74.13 H new ATOM 0 HB3 PHE A 6 -18.759 -3.101 -2.383 1.00 74.13 H new ATOM 0 HD1 PHE A 6 -20.624 -4.037 0.513 1.00 62.21 H new ATOM 0 HD2 PHE A 6 -16.778 -4.214 -1.230 1.00 4.13 H new ATOM 0 HE1 PHE A 6 -20.020 -5.922 2.039 1.00 33.43 H new ATOM 0 HE2 PHE A 6 -16.175 -6.102 0.295 1.00 72.23 H new ATOM 0 HZ PHE A 6 -17.802 -6.930 1.913 1.00 11.24 H new ATOM 83 N LEU A 7 -17.172 -0.840 -2.834 1.00 34.42 N ATOM 84 CA LEU A 7 -15.940 -0.618 -3.572 1.00 72.04 C ATOM 85 C LEU A 7 -15.106 0.447 -2.857 1.00 75.10 C ATOM 86 O LEU A 7 -13.879 0.366 -2.832 1.00 54.53 O ATOM 87 CB LEU A 7 -16.245 -0.281 -5.034 1.00 2.24 C ATOM 88 CG LEU A 7 -15.647 -1.226 -6.078 1.00 72.41 C ATOM 89 CD1 LEU A 7 -16.739 -2.051 -6.761 1.00 70.02 C ATOM 90 CD2 LEU A 7 -14.793 -0.456 -7.089 1.00 20.14 C ATOM 0 H LEU A 7 -18.022 -0.584 -3.336 1.00 34.42 H new ATOM 0 HA LEU A 7 -15.341 -1.529 -3.596 1.00 72.04 H new ATOM 0 HB2 LEU A 7 -17.327 -0.265 -5.165 1.00 2.24 H new ATOM 0 HB3 LEU A 7 -15.885 0.728 -5.237 1.00 2.24 H new ATOM 0 HG LEU A 7 -14.987 -1.927 -5.566 1.00 72.41 H new ATOM 0 HD11 LEU A 7 -16.286 -2.714 -7.498 1.00 70.02 H new ATOM 0 HD12 LEU A 7 -17.267 -2.645 -6.015 1.00 70.02 H new ATOM 0 HD13 LEU A 7 -17.443 -1.383 -7.257 1.00 70.02 H new ATOM 0 HD21 LEU A 7 -14.380 -1.151 -7.820 1.00 20.14 H new ATOM 0 HD22 LEU A 7 -15.411 0.283 -7.599 1.00 20.14 H new ATOM 0 HD23 LEU A 7 -13.980 0.049 -6.568 1.00 20.14 H new ATOM 102 N GLY A 8 -15.806 1.420 -2.293 1.00 34.20 N ATOM 103 CA GLY A 8 -15.145 2.500 -1.579 1.00 20.10 C ATOM 104 C GLY A 8 -14.389 1.968 -0.359 1.00 22.10 C ATOM 105 O GLY A 8 -13.206 2.256 -0.184 1.00 33.43 O ATOM 0 H GLY A 8 -16.824 1.483 -2.316 1.00 34.20 H new ATOM 0 HA2 GLY A 8 -14.452 3.011 -2.247 1.00 20.10 H new ATOM 0 HA3 GLY A 8 -15.883 3.236 -1.261 1.00 20.10 H new ATOM 109 N PHE A 9 -15.103 1.202 0.452 1.00 32.14 N ATOM 110 CA PHE A 9 -14.514 0.628 1.650 1.00 14.14 C ATOM 111 C PHE A 9 -13.276 -0.202 1.309 1.00 53.41 C ATOM 112 O PHE A 9 -12.217 -0.019 1.907 1.00 54.11 O ATOM 113 CB PHE A 9 -15.571 -0.286 2.274 1.00 32.51 C ATOM 114 CG PHE A 9 -15.169 -0.864 3.632 1.00 4.42 C ATOM 115 CD1 PHE A 9 -14.038 -0.430 4.249 1.00 11.11 C ATOM 116 CD2 PHE A 9 -15.943 -1.814 4.223 1.00 40.35 C ATOM 117 CE1 PHE A 9 -13.666 -0.967 5.510 1.00 75.45 C ATOM 118 CE2 PHE A 9 -15.571 -2.351 5.483 1.00 74.21 C ATOM 119 CZ PHE A 9 -14.439 -1.916 6.100 1.00 42.42 C ATOM 0 H PHE A 9 -16.084 0.965 0.303 1.00 32.14 H new ATOM 0 HA PHE A 9 -14.209 1.422 2.332 1.00 14.14 H new ATOM 0 HB2 PHE A 9 -16.499 0.274 2.389 1.00 32.51 H new ATOM 0 HB3 PHE A 9 -15.778 -1.107 1.588 1.00 32.51 H new ATOM 0 HD1 PHE A 9 -13.422 0.323 3.780 1.00 11.11 H new ATOM 0 HD2 PHE A 9 -16.841 -2.160 3.733 1.00 40.35 H new ATOM 0 HE1 PHE A 9 -12.768 -0.621 6.000 1.00 75.45 H new ATOM 0 HE2 PHE A 9 -16.186 -3.105 5.952 1.00 74.21 H new ATOM 0 HZ PHE A 9 -14.155 -2.325 7.058 1.00 42.42 H new ATOM 129 N LEU A 10 -13.449 -1.098 0.347 1.00 5.05 N ATOM 130 CA LEU A 10 -12.359 -1.958 -0.081 1.00 21.51 C ATOM 131 C LEU A 10 -11.289 -1.111 -0.773 1.00 62.23 C ATOM 132 O LEU A 10 -10.104 -1.434 -0.716 1.00 72.31 O ATOM 133 CB LEU A 10 -12.888 -3.105 -0.943 1.00 0.40 C ATOM 134 CG LEU A 10 -12.406 -3.130 -2.395 1.00 60.34 C ATOM 135 CD1 LEU A 10 -10.954 -3.603 -2.483 1.00 42.32 C ATOM 136 CD2 LEU A 10 -13.338 -3.974 -3.268 1.00 15.24 C ATOM 0 H LEU A 10 -14.328 -1.246 -0.148 1.00 5.05 H new ATOM 0 HA LEU A 10 -11.885 -2.430 0.780 1.00 21.51 H new ATOM 0 HB2 LEU A 10 -12.607 -4.047 -0.472 1.00 0.40 H new ATOM 0 HB3 LEU A 10 -13.977 -3.061 -0.943 1.00 0.40 H new ATOM 0 HG LEU A 10 -12.437 -2.112 -2.782 1.00 60.34 H new ATOM 0 HD11 LEU A 10 -10.637 -3.611 -3.526 1.00 42.32 H new ATOM 0 HD12 LEU A 10 -10.316 -2.926 -1.915 1.00 42.32 H new ATOM 0 HD13 LEU A 10 -10.873 -4.609 -2.071 1.00 42.32 H new ATOM 0 HD21 LEU A 10 -12.973 -3.975 -4.295 1.00 15.24 H new ATOM 0 HD22 LEU A 10 -13.363 -4.996 -2.891 1.00 15.24 H new ATOM 0 HD23 LEU A 10 -14.343 -3.552 -3.241 1.00 15.24 H new ATOM 148 N GLY A 11 -11.747 -0.043 -1.410 1.00 2.10 N ATOM 149 CA GLY A 11 -10.844 0.853 -2.112 1.00 70.11 C ATOM 150 C GLY A 11 -9.729 1.344 -1.187 1.00 24.42 C ATOM 151 O GLY A 11 -8.560 1.359 -1.570 1.00 51.12 O ATOM 0 H GLY A 11 -12.731 0.222 -1.455 1.00 2.10 H new ATOM 0 HA2 GLY A 11 -10.410 0.339 -2.969 1.00 70.11 H new ATOM 0 HA3 GLY A 11 -11.401 1.706 -2.500 1.00 70.11 H new ATOM 155 N ALA A 12 -10.129 1.735 0.014 1.00 64.21 N ATOM 156 CA ALA A 12 -9.178 2.225 0.997 1.00 2.30 C ATOM 157 C ALA A 12 -8.066 1.192 1.185 1.00 40.50 C ATOM 158 O ALA A 12 -6.892 1.545 1.264 1.00 32.30 O ATOM 159 CB ALA A 12 -9.911 2.537 2.303 1.00 21.55 C ATOM 0 H ALA A 12 -11.099 1.722 0.329 1.00 64.21 H new ATOM 0 HA ALA A 12 -8.713 3.149 0.654 1.00 2.30 H new ATOM 0 HB1 ALA A 12 -9.198 2.905 3.041 1.00 21.55 H new ATOM 0 HB2 ALA A 12 -10.670 3.298 2.121 1.00 21.55 H new ATOM 0 HB3 ALA A 12 -10.387 1.631 2.678 1.00 21.55 H new ATOM 165 N ALA A 13 -8.477 -0.067 1.250 1.00 12.24 N ATOM 166 CA ALA A 13 -7.530 -1.155 1.428 1.00 73.15 C ATOM 167 C ALA A 13 -6.592 -1.210 0.219 1.00 3.11 C ATOM 168 O ALA A 13 -5.480 -1.728 0.315 1.00 5.34 O ATOM 169 CB ALA A 13 -8.291 -2.466 1.635 1.00 43.24 C ATOM 0 H ALA A 13 -9.453 -0.357 1.183 1.00 12.24 H new ATOM 0 HA ALA A 13 -6.918 -0.990 2.315 1.00 73.15 H new ATOM 0 HB1 ALA A 13 -7.581 -3.282 1.768 1.00 43.24 H new ATOM 0 HB2 ALA A 13 -8.921 -2.385 2.521 1.00 43.24 H new ATOM 0 HB3 ALA A 13 -8.914 -2.666 0.763 1.00 43.24 H new ATOM 175 N GLY A 14 -7.075 -0.669 -0.889 1.00 1.20 N ATOM 176 CA GLY A 14 -6.293 -0.650 -2.115 1.00 11.53 C ATOM 177 C GLY A 14 -5.130 0.337 -2.007 1.00 55.13 C ATOM 178 O GLY A 14 -3.969 -0.049 -2.139 1.00 53.02 O ATOM 0 H GLY A 14 -7.998 -0.240 -0.965 1.00 1.20 H new ATOM 0 HA2 GLY A 14 -5.909 -1.649 -2.321 1.00 11.53 H new ATOM 0 HA3 GLY A 14 -6.932 -0.375 -2.954 1.00 11.53 H new ATOM 182 N SER A 15 -5.480 1.592 -1.769 1.00 62.14 N ATOM 183 CA SER A 15 -4.479 2.638 -1.642 1.00 51.23 C ATOM 184 C SER A 15 -3.501 2.292 -0.518 1.00 63.42 C ATOM 185 O SER A 15 -2.294 2.481 -0.661 1.00 72.41 O ATOM 186 CB SER A 15 -5.133 3.996 -1.380 1.00 31.54 C ATOM 187 OG SER A 15 -4.292 5.078 -1.776 1.00 43.21 O ATOM 0 H SER A 15 -6.444 1.909 -1.661 1.00 62.14 H new ATOM 0 HA SER A 15 -3.931 2.705 -2.582 1.00 51.23 H new ATOM 0 HB2 SER A 15 -6.078 4.054 -1.921 1.00 31.54 H new ATOM 0 HB3 SER A 15 -5.367 4.088 -0.319 1.00 31.54 H new ATOM 0 HG SER A 15 -4.745 5.928 -1.595 1.00 43.21 H new ATOM 193 N LYS A 16 -4.059 1.793 0.575 1.00 31.52 N ATOM 194 CA LYS A 16 -3.250 1.420 1.723 1.00 24.03 C ATOM 195 C LYS A 16 -2.031 0.628 1.248 1.00 52.34 C ATOM 196 O LYS A 16 -0.906 1.122 1.301 1.00 51.45 O ATOM 197 CB LYS A 16 -4.100 0.680 2.759 1.00 14.33 C ATOM 198 CG LYS A 16 -3.341 0.521 4.078 1.00 14.24 C ATOM 199 CD LYS A 16 -2.371 -0.661 4.013 1.00 31.22 C ATOM 200 CE LYS A 16 -2.218 -1.321 5.385 1.00 60.32 C ATOM 201 NZ LYS A 16 -0.864 -1.903 5.532 1.00 24.10 N ATOM 0 H LYS A 16 -5.061 1.638 0.690 1.00 31.52 H new ATOM 0 HA LYS A 16 -2.874 2.309 2.229 1.00 24.03 H new ATOM 0 HB2 LYS A 16 -5.027 1.227 2.932 1.00 14.33 H new ATOM 0 HB3 LYS A 16 -4.377 -0.301 2.374 1.00 14.33 H new ATOM 0 HG2 LYS A 16 -2.791 1.436 4.298 1.00 14.24 H new ATOM 0 HG3 LYS A 16 -4.049 0.371 4.893 1.00 14.24 H new ATOM 0 HD2 LYS A 16 -2.733 -1.394 3.291 1.00 31.22 H new ATOM 0 HD3 LYS A 16 -1.398 -0.319 3.660 1.00 31.22 H new ATOM 0 HE2 LYS A 16 -2.391 -0.585 6.170 1.00 60.32 H new ATOM 0 HE3 LYS A 16 -2.970 -2.100 5.506 1.00 60.32 H new ATOM 0 HZ1 LYS A 16 -0.777 -2.347 6.468 1.00 24.10 H new ATOM 0 HZ2 LYS A 16 -0.712 -2.620 4.794 1.00 24.10 H new ATOM 0 HZ3 LYS A 16 -0.151 -1.152 5.437 1.00 24.10 H new ATOM 214 N LYS A 17 -2.297 -0.589 0.795 1.00 54.42 N ATOM 215 CA LYS A 17 -1.235 -1.456 0.310 1.00 63.55 C ATOM 216 C LYS A 17 -0.675 -0.887 -0.996 1.00 41.44 C ATOM 217 O LYS A 17 0.498 -0.527 -1.068 1.00 63.51 O ATOM 218 CB LYS A 17 -1.732 -2.897 0.190 1.00 44.12 C ATOM 219 CG LYS A 17 -0.574 -3.889 0.313 1.00 71.11 C ATOM 220 CD LYS A 17 -0.174 -4.085 1.777 1.00 30.30 C ATOM 221 CE LYS A 17 0.615 -5.383 1.960 1.00 52.12 C ATOM 222 NZ LYS A 17 1.699 -5.194 2.950 1.00 72.31 N ATOM 0 H LYS A 17 -3.232 -0.995 0.754 1.00 54.42 H new ATOM 0 HA LYS A 17 -0.412 -1.486 1.024 1.00 63.55 H new ATOM 0 HB2 LYS A 17 -2.470 -3.097 0.967 1.00 44.12 H new ATOM 0 HB3 LYS A 17 -2.233 -3.034 -0.769 1.00 44.12 H new ATOM 0 HG2 LYS A 17 -0.863 -4.847 -0.120 1.00 71.11 H new ATOM 0 HG3 LYS A 17 0.282 -3.527 -0.256 1.00 71.11 H new ATOM 0 HD2 LYS A 17 0.428 -3.239 2.110 1.00 30.30 H new ATOM 0 HD3 LYS A 17 -1.067 -4.107 2.402 1.00 30.30 H new ATOM 0 HE2 LYS A 17 -0.053 -6.178 2.290 1.00 52.12 H new ATOM 0 HE3 LYS A 17 1.037 -5.697 1.005 1.00 52.12 H new ATOM 0 HZ1 LYS A 17 2.225 -6.084 3.063 1.00 72.31 H new ATOM 0 HZ2 LYS A 17 2.345 -4.449 2.619 1.00 72.31 H new ATOM 0 HZ3 LYS A 17 1.289 -4.916 3.864 1.00 72.31 H new ATOM 254 N LYS A 19 -4.312 -1.287 -8.406 1.00 45.43 N ATOM 255 CA LYS A 19 -5.340 -1.299 -9.434 1.00 72.24 C ATOM 256 C LYS A 19 -4.874 -2.169 -10.604 1.00 72.32 C ATOM 257 O LYS A 19 -5.459 -3.217 -10.874 1.00 4.31 O ATOM 258 CB LYS A 19 -5.709 0.129 -9.839 1.00 54.13 C ATOM 259 CG LYS A 19 -5.921 1.011 -8.607 1.00 63.43 C ATOM 260 CD LYS A 19 -6.828 2.200 -8.933 1.00 50.32 C ATOM 261 CE LYS A 19 -8.208 2.027 -8.296 1.00 53.14 C ATOM 262 NZ LYS A 19 -9.108 3.131 -8.701 1.00 54.14 N ATOM 0 HA LYS A 19 -6.258 -1.744 -9.050 1.00 72.24 H new ATOM 0 HB2 LYS A 19 -4.919 0.550 -10.461 1.00 54.13 H new ATOM 0 HB3 LYS A 19 -6.617 0.117 -10.442 1.00 54.13 H new ATOM 0 HG2 LYS A 19 -6.364 0.421 -7.805 1.00 63.43 H new ATOM 0 HG3 LYS A 19 -4.959 1.372 -8.244 1.00 63.43 H new ATOM 0 HD2 LYS A 19 -6.370 3.121 -8.573 1.00 50.32 H new ATOM 0 HD3 LYS A 19 -6.932 2.297 -10.014 1.00 50.32 H new ATOM 0 HE2 LYS A 19 -8.637 1.071 -8.597 1.00 53.14 H new ATOM 0 HE3 LYS A 19 -8.114 2.006 -7.210 1.00 53.14 H new ATOM 0 HZ1 LYS A 19 -10.040 2.998 -8.260 1.00 54.14 H new ATOM 0 HZ2 LYS A 19 -8.705 4.039 -8.392 1.00 54.14 H new ATOM 0 HZ3 LYS A 19 -9.212 3.133 -9.736 1.00 54.14 H new ATOM 275 N ASN A 20 -3.826 -1.702 -11.266 1.00 53.23 N ATOM 276 CA ASN A 20 -3.275 -2.425 -12.401 1.00 63.22 C ATOM 277 C ASN A 20 -1.804 -2.745 -12.131 1.00 33.32 C ATOM 278 O ASN A 20 -1.332 -2.606 -11.004 1.00 31.43 O ATOM 279 CB ASN A 20 -3.350 -1.585 -13.677 1.00 53.03 C ATOM 280 CG ASN A 20 -4.094 -2.335 -14.785 1.00 15.05 C ATOM 281 OD1 ASN A 20 -3.593 -3.280 -15.373 1.00 44.50 O ATOM 282 ND2 ASN A 20 -5.311 -1.864 -15.035 1.00 63.23 N ATOM 0 H ASN A 20 -3.344 -0.832 -11.039 1.00 53.23 H new ATOM 0 HA ASN A 20 -3.857 -3.337 -12.535 1.00 63.22 H new ATOM 0 HB2 ASN A 20 -3.857 -0.643 -13.467 1.00 53.03 H new ATOM 0 HB3 ASN A 20 -2.343 -1.337 -14.013 1.00 53.03 H new ATOM 0 HD21 ASN A 20 -5.887 -2.297 -15.757 1.00 63.23 H new ATOM 0 HD22 ASN A 20 -5.669 -1.069 -14.505 1.00 63.23 H new ATOM 289 N GLU A 21 -1.120 -3.167 -13.184 1.00 21.43 N ATOM 290 CA GLU A 21 0.288 -3.508 -13.075 1.00 31.51 C ATOM 291 C GLU A 21 1.112 -2.261 -12.744 1.00 42.11 C ATOM 292 O GLU A 21 2.180 -2.360 -12.141 1.00 10.30 O ATOM 293 CB GLU A 21 0.793 -4.173 -14.357 1.00 24.34 C ATOM 294 CG GLU A 21 2.028 -5.032 -14.080 1.00 24.04 C ATOM 295 CD GLU A 21 2.356 -5.925 -15.278 1.00 43.12 C ATOM 296 OE1 GLU A 21 3.351 -5.682 -15.977 1.00 10.31 O ATOM 297 OE2 GLU A 21 1.534 -6.900 -15.471 1.00 71.35 O ATOM 0 H GLU A 21 -1.515 -3.281 -14.118 1.00 21.43 H new ATOM 0 HA GLU A 21 0.406 -4.225 -12.262 1.00 31.51 H new ATOM 0 HB2 GLU A 21 0.004 -4.792 -14.785 1.00 24.34 H new ATOM 0 HB3 GLU A 21 1.035 -3.409 -15.096 1.00 24.34 H new ATOM 0 HG2 GLU A 21 2.880 -4.389 -13.857 1.00 24.04 H new ATOM 0 HG3 GLU A 21 1.855 -5.649 -13.198 1.00 24.04 H new ATOM 305 N GLN A 22 0.584 -1.116 -13.152 1.00 44.01 N ATOM 306 CA GLN A 22 1.257 0.147 -12.905 1.00 61.34 C ATOM 307 C GLN A 22 1.405 0.386 -11.402 1.00 12.11 C ATOM 308 O GLN A 22 2.511 0.615 -10.912 1.00 2.20 O ATOM 309 CB GLN A 22 0.511 1.305 -13.573 1.00 44.22 C ATOM 310 CG GLN A 22 1.269 2.621 -13.396 1.00 61.21 C ATOM 311 CD GLN A 22 0.544 3.772 -14.098 1.00 11.22 C ATOM 312 OE1 GLN A 22 0.275 3.736 -15.287 1.00 73.42 O ATOM 313 NE2 GLN A 22 0.242 4.790 -13.297 1.00 30.03 N ATOM 0 H GLN A 22 -0.302 -1.037 -13.652 1.00 44.01 H new ATOM 0 HA GLN A 22 2.253 0.097 -13.344 1.00 61.34 H new ATOM 0 HB2 GLN A 22 0.383 1.095 -14.635 1.00 44.22 H new ATOM 0 HB3 GLN A 22 -0.487 1.395 -13.143 1.00 44.22 H new ATOM 0 HG2 GLN A 22 1.372 2.845 -12.334 1.00 61.21 H new ATOM 0 HG3 GLN A 22 2.277 2.521 -13.800 1.00 61.21 H new ATOM 0 HE21 GLN A 22 0.497 4.755 -12.310 1.00 30.03 H new ATOM 0 HE22 GLN A 22 -0.244 5.605 -13.670 1.00 30.03 H new ATOM 322 N GLU A 23 0.276 0.325 -10.711 1.00 13.03 N ATOM 323 CA GLU A 23 0.268 0.531 -9.272 1.00 61.43 C ATOM 324 C GLU A 23 1.221 -0.451 -8.590 1.00 2.25 C ATOM 325 O GLU A 23 1.812 -0.132 -7.559 1.00 54.20 O ATOM 326 CB GLU A 23 -1.149 0.402 -8.708 1.00 51.14 C ATOM 327 CG GLU A 23 -2.031 1.562 -9.173 1.00 63.15 C ATOM 328 CD GLU A 23 -2.674 2.275 -7.981 1.00 71.13 C ATOM 329 OE1 GLU A 23 -2.909 1.648 -6.938 1.00 43.13 O ATOM 330 OE2 GLU A 23 -2.929 3.525 -8.167 1.00 70.32 O ATOM 0 H GLU A 23 -0.639 0.136 -11.120 1.00 13.03 H new ATOM 0 HA GLU A 23 0.615 1.544 -9.067 1.00 61.43 H new ATOM 0 HB2 GLU A 23 -1.587 -0.544 -9.028 1.00 51.14 H new ATOM 0 HB3 GLU A 23 -1.111 0.383 -7.619 1.00 51.14 H new ATOM 0 HG2 GLU A 23 -1.433 2.271 -9.746 1.00 63.15 H new ATOM 0 HG3 GLU A 23 -2.808 1.188 -9.840 1.00 63.15 H new ATOM 338 N LEU A 24 1.340 -1.625 -9.190 1.00 41.54 N ATOM 339 CA LEU A 24 2.211 -2.657 -8.653 1.00 32.44 C ATOM 340 C LEU A 24 3.670 -2.262 -8.894 1.00 11.43 C ATOM 341 O LEU A 24 4.529 -2.498 -8.045 1.00 63.23 O ATOM 342 CB LEU A 24 1.841 -4.025 -9.229 1.00 72.41 C ATOM 343 CG LEU A 24 2.355 -5.241 -8.454 1.00 70.43 C ATOM 344 CD1 LEU A 24 1.481 -5.520 -7.231 1.00 3.30 C ATOM 345 CD2 LEU A 24 2.473 -6.462 -9.367 1.00 13.42 C ATOM 0 H LEU A 24 0.847 -1.886 -10.044 1.00 41.54 H new ATOM 0 HA LEU A 24 2.077 -2.745 -7.575 1.00 32.44 H new ATOM 0 HB2 LEU A 24 0.755 -4.090 -9.289 1.00 72.41 H new ATOM 0 HB3 LEU A 24 2.221 -4.082 -10.249 1.00 72.41 H new ATOM 0 HG LEU A 24 3.357 -5.016 -8.088 1.00 70.43 H new ATOM 0 HD11 LEU A 24 1.868 -6.389 -6.698 1.00 3.30 H new ATOM 0 HD12 LEU A 24 1.493 -4.654 -6.570 1.00 3.30 H new ATOM 0 HD13 LEU A 24 0.458 -5.717 -7.552 1.00 3.30 H new ATOM 0 HD21 LEU A 24 2.840 -7.312 -8.792 1.00 13.42 H new ATOM 0 HD22 LEU A 24 1.494 -6.701 -9.783 1.00 13.42 H new ATOM 0 HD23 LEU A 24 3.169 -6.244 -10.177 1.00 13.42 H new ATOM 357 N LEU A 25 3.906 -1.669 -10.054 1.00 44.04 N ATOM 358 CA LEU A 25 5.246 -1.239 -10.417 1.00 44.23 C ATOM 359 C LEU A 25 5.668 -0.081 -9.511 1.00 65.05 C ATOM 360 O LEU A 25 6.845 0.058 -9.185 1.00 21.34 O ATOM 361 CB LEU A 25 5.316 -0.910 -11.910 1.00 23.41 C ATOM 362 CG LEU A 25 6.561 -0.148 -12.370 1.00 12.22 C ATOM 363 CD1 LEU A 25 7.260 -0.882 -13.517 1.00 23.52 C ATOM 364 CD2 LEU A 25 6.215 1.296 -12.740 1.00 14.31 C ATOM 0 H LEU A 25 3.192 -1.476 -10.756 1.00 44.04 H new ATOM 0 HA LEU A 25 5.962 -2.045 -10.258 1.00 44.23 H new ATOM 0 HB2 LEU A 25 5.257 -1.843 -12.471 1.00 23.41 H new ATOM 0 HB3 LEU A 25 4.436 -0.323 -12.174 1.00 23.41 H new ATOM 0 HG LEU A 25 7.264 -0.107 -11.538 1.00 12.22 H new ATOM 0 HD11 LEU A 25 8.141 -0.320 -13.825 1.00 23.52 H new ATOM 0 HD12 LEU A 25 7.561 -1.875 -13.183 1.00 23.52 H new ATOM 0 HD13 LEU A 25 6.576 -0.975 -14.360 1.00 23.52 H new ATOM 0 HD21 LEU A 25 7.117 1.815 -13.063 1.00 14.31 H new ATOM 0 HD22 LEU A 25 5.485 1.299 -13.549 1.00 14.31 H new ATOM 0 HD23 LEU A 25 5.796 1.804 -11.871 1.00 14.31 H new ATOM 376 N GLU A 26 4.684 0.721 -9.132 1.00 23.15 N ATOM 377 CA GLU A 26 4.938 1.862 -8.269 1.00 74.41 C ATOM 378 C GLU A 26 5.489 1.396 -6.919 1.00 45.35 C ATOM 379 O GLU A 26 6.284 2.096 -6.295 1.00 14.14 O ATOM 380 CB GLU A 26 3.675 2.703 -8.085 1.00 25.10 C ATOM 381 CG GLU A 26 4.011 4.194 -8.027 1.00 32.54 C ATOM 382 CD GLU A 26 2.859 4.994 -7.415 1.00 54.12 C ATOM 383 OE1 GLU A 26 1.706 4.539 -7.443 1.00 23.14 O ATOM 384 OE2 GLU A 26 3.196 6.126 -6.896 1.00 60.43 O ATOM 0 H GLU A 26 3.709 0.603 -9.407 1.00 23.15 H new ATOM 0 HA GLU A 26 5.688 2.493 -8.746 1.00 74.41 H new ATOM 0 HB2 GLU A 26 2.985 2.514 -8.908 1.00 25.10 H new ATOM 0 HB3 GLU A 26 3.166 2.406 -7.168 1.00 25.10 H new ATOM 0 HG2 GLU A 26 4.915 4.344 -7.437 1.00 32.54 H new ATOM 0 HG3 GLU A 26 4.221 4.562 -9.031 1.00 32.54 H new ATOM 392 N LEU A 27 5.042 0.218 -6.511 1.00 15.34 N ATOM 393 CA LEU A 27 5.481 -0.350 -5.246 1.00 42.31 C ATOM 394 C LEU A 27 6.935 -0.809 -5.375 1.00 4.43 C ATOM 395 O LEU A 27 7.691 -0.764 -4.406 1.00 30.51 O ATOM 396 CB LEU A 27 4.524 -1.457 -4.796 1.00 45.13 C ATOM 397 CG LEU A 27 4.376 -1.642 -3.285 1.00 71.33 C ATOM 398 CD1 LEU A 27 5.699 -2.086 -2.656 1.00 24.32 C ATOM 399 CD2 LEU A 27 3.826 -0.374 -2.628 1.00 11.41 C ATOM 0 H LEU A 27 4.382 -0.359 -7.032 1.00 15.34 H new ATOM 0 HA LEU A 27 5.453 0.404 -4.459 1.00 42.31 H new ATOM 0 HB2 LEU A 27 3.539 -1.251 -5.215 1.00 45.13 H new ATOM 0 HB3 LEU A 27 4.863 -2.400 -5.226 1.00 45.13 H new ATOM 0 HG LEU A 27 3.651 -2.436 -3.107 1.00 71.33 H new ATOM 0 HD11 LEU A 27 5.567 -2.211 -1.581 1.00 24.32 H new ATOM 0 HD12 LEU A 27 6.011 -3.033 -3.096 1.00 24.32 H new ATOM 0 HD13 LEU A 27 6.462 -1.331 -2.843 1.00 24.32 H new ATOM 0 HD21 LEU A 27 3.731 -0.533 -1.554 1.00 11.41 H new ATOM 0 HD22 LEU A 27 4.507 0.456 -2.813 1.00 11.41 H new ATOM 0 HD23 LEU A 27 2.848 -0.141 -3.049 1.00 11.41 H new ATOM 411 N ASP A 28 7.281 -1.241 -6.578 1.00 22.12 N ATOM 412 CA ASP A 28 8.631 -1.708 -6.845 1.00 32.30 C ATOM 413 C ASP A 28 9.624 -0.584 -6.539 1.00 54.52 C ATOM 414 O ASP A 28 10.705 -0.835 -6.007 1.00 25.35 O ATOM 415 CB ASP A 28 8.798 -2.099 -8.315 1.00 61.34 C ATOM 416 CG ASP A 28 9.627 -1.123 -9.153 1.00 45.32 C ATOM 417 OD1 ASP A 28 9.093 -0.404 -10.011 1.00 43.24 O ATOM 418 OD2 ASP A 28 10.891 -1.119 -8.894 1.00 61.32 O ATOM 0 H ASP A 28 6.650 -1.278 -7.379 1.00 22.12 H new ATOM 0 HA ASP A 28 8.817 -2.579 -6.217 1.00 32.30 H new ATOM 0 HB2 ASP A 28 9.265 -3.083 -8.363 1.00 61.34 H new ATOM 0 HB3 ASP A 28 7.810 -2.193 -8.765 1.00 61.34 H new ATOM 424 N LYS A 29 9.223 0.629 -6.889 1.00 62.12 N ATOM 425 CA LYS A 29 10.064 1.791 -6.659 1.00 24.15 C ATOM 426 C LYS A 29 10.042 2.143 -5.170 1.00 1.24 C ATOM 427 O LYS A 29 11.012 2.686 -4.642 1.00 72.21 O ATOM 428 CB LYS A 29 9.644 2.945 -7.570 1.00 74.51 C ATOM 429 CG LYS A 29 10.124 4.287 -7.011 1.00 4.22 C ATOM 430 CD LYS A 29 10.070 5.377 -8.083 1.00 62.43 C ATOM 431 CE LYS A 29 9.653 6.720 -7.478 1.00 74.32 C ATOM 432 NZ LYS A 29 10.844 7.483 -7.039 1.00 52.35 N ATOM 0 H LYS A 29 8.326 0.832 -7.330 1.00 62.12 H new ATOM 0 HA LYS A 29 11.099 1.571 -6.920 1.00 24.15 H new ATOM 0 HB2 LYS A 29 10.056 2.794 -8.568 1.00 74.51 H new ATOM 0 HB3 LYS A 29 8.559 2.956 -7.672 1.00 74.51 H new ATOM 0 HG2 LYS A 29 9.503 4.575 -6.163 1.00 4.22 H new ATOM 0 HG3 LYS A 29 11.144 4.187 -6.640 1.00 4.22 H new ATOM 0 HD2 LYS A 29 11.047 5.475 -8.557 1.00 62.43 H new ATOM 0 HD3 LYS A 29 9.365 5.091 -8.863 1.00 62.43 H new ATOM 0 HE2 LYS A 29 9.094 7.299 -8.213 1.00 74.32 H new ATOM 0 HE3 LYS A 29 8.988 6.553 -6.631 1.00 74.32 H new ATOM 0 HZ1 LYS A 29 10.543 8.391 -6.631 1.00 52.35 H new ATOM 0 HZ2 LYS A 29 11.362 6.936 -6.322 1.00 52.35 H new ATOM 0 HZ3 LYS A 29 11.464 7.658 -7.855 1.00 52.35 H new ATOM 445 N TRP A 30 8.926 1.819 -4.534 1.00 23.44 N ATOM 446 CA TRP A 30 8.765 2.096 -3.116 1.00 55.33 C ATOM 447 C TRP A 30 9.632 1.101 -2.340 1.00 71.50 C ATOM 448 O TRP A 30 9.969 1.340 -1.182 1.00 34.41 O ATOM 449 CB TRP A 30 7.290 2.045 -2.711 1.00 73.10 C ATOM 450 CG TRP A 30 7.004 2.634 -1.328 1.00 55.20 C ATOM 451 CD1 TRP A 30 6.420 3.803 -1.034 1.00 33.11 C ATOM 452 CD2 TRP A 30 7.315 2.029 -0.055 1.00 55.43 C ATOM 453 NE1 TRP A 30 6.332 3.995 0.330 1.00 55.24 N ATOM 454 CE2 TRP A 30 6.893 2.881 0.944 1.00 72.14 C ATOM 455 CE3 TRP A 30 7.932 0.800 0.241 1.00 34.11 C ATOM 456 CZ2 TRP A 30 7.043 2.599 2.307 1.00 10.22 C ATOM 457 CZ3 TRP A 30 8.075 0.533 1.608 1.00 65.04 C ATOM 458 CH2 TRP A 30 7.655 1.382 2.627 1.00 55.20 C ATOM 0 H TRP A 30 8.124 1.367 -4.974 1.00 23.44 H new ATOM 0 HA TRP A 30 9.097 3.107 -2.880 1.00 55.33 H new ATOM 0 HB2 TRP A 30 6.701 2.584 -3.453 1.00 73.10 H new ATOM 0 HB3 TRP A 30 6.954 1.008 -2.730 1.00 73.10 H new ATOM 0 HD1 TRP A 30 6.063 4.507 -1.771 1.00 33.11 H new ATOM 0 HE1 TRP A 30 5.929 4.805 0.801 1.00 55.24 H new ATOM 0 HE3 TRP A 30 8.269 0.117 -0.525 1.00 34.11 H new ATOM 0 HZ2 TRP A 30 6.705 3.284 3.070 1.00 10.22 H new ATOM 0 HZ3 TRP A 30 8.544 -0.397 1.891 1.00 65.04 H new ATOM 0 HH2 TRP A 30 7.801 1.103 3.660 1.00 55.20 H new ATOM 469 N ALA A 31 9.967 0.009 -3.009 1.00 41.14 N ATOM 470 CA ALA A 31 10.788 -1.022 -2.397 1.00 13.32 C ATOM 471 C ALA A 31 12.068 -0.389 -1.849 1.00 24.24 C ATOM 472 O ALA A 31 12.599 -0.835 -0.832 1.00 70.40 O ATOM 473 CB ALA A 31 11.074 -2.122 -3.421 1.00 53.43 C ATOM 0 H ALA A 31 9.685 -0.185 -3.970 1.00 41.14 H new ATOM 0 HA ALA A 31 10.264 -1.484 -1.560 1.00 13.32 H new ATOM 0 HB1 ALA A 31 11.690 -2.895 -2.962 1.00 53.43 H new ATOM 0 HB2 ALA A 31 10.134 -2.559 -3.758 1.00 53.43 H new ATOM 0 HB3 ALA A 31 11.602 -1.696 -4.274 1.00 53.43 H new ATOM 479 N SER A 32 12.527 0.640 -2.545 1.00 55.44 N ATOM 480 CA SER A 32 13.735 1.338 -2.141 1.00 22.53 C ATOM 481 C SER A 32 13.630 1.758 -0.673 1.00 74.21 C ATOM 482 O SER A 32 14.635 1.808 0.035 1.00 44.31 O ATOM 483 CB SER A 32 13.988 2.561 -3.026 1.00 25.13 C ATOM 484 OG SER A 32 15.379 2.818 -3.197 1.00 63.30 O ATOM 0 H SER A 32 12.084 1.007 -3.387 1.00 55.44 H new ATOM 0 HA SER A 32 14.578 0.658 -2.259 1.00 22.53 H new ATOM 0 HB2 SER A 32 13.526 2.405 -4.001 1.00 25.13 H new ATOM 0 HB3 SER A 32 13.510 3.434 -2.583 1.00 25.13 H new ATOM 0 HG SER A 32 15.498 3.605 -3.769 1.00 63.30 H new ATOM 490 N LEU A 33 12.405 2.049 -0.260 1.00 22.23 N ATOM 491 CA LEU A 33 12.156 2.463 1.110 1.00 1.31 C ATOM 492 C LEU A 33 12.769 1.439 2.068 1.00 74.03 C ATOM 493 O LEU A 33 13.500 1.803 2.988 1.00 72.43 O ATOM 494 CB LEU A 33 10.661 2.696 1.336 1.00 70.52 C ATOM 495 CG LEU A 33 10.280 3.385 2.648 1.00 11.02 C ATOM 496 CD1 LEU A 33 11.419 3.295 3.666 1.00 55.51 C ATOM 497 CD2 LEU A 33 9.845 4.830 2.402 1.00 64.54 C ATOM 0 H LEU A 33 11.574 2.006 -0.850 1.00 22.23 H new ATOM 0 HA LEU A 33 12.639 3.419 1.312 1.00 1.31 H new ATOM 0 HB2 LEU A 33 10.278 3.295 0.510 1.00 70.52 H new ATOM 0 HB3 LEU A 33 10.153 1.733 1.294 1.00 70.52 H new ATOM 0 HG LEU A 33 9.425 2.859 3.074 1.00 11.02 H new ATOM 0 HD11 LEU A 33 11.122 3.792 4.589 1.00 55.51 H new ATOM 0 HD12 LEU A 33 11.640 2.248 3.873 1.00 55.51 H new ATOM 0 HD13 LEU A 33 12.307 3.780 3.262 1.00 55.51 H new ATOM 0 HD21 LEU A 33 9.580 5.297 3.351 1.00 64.54 H new ATOM 0 HD22 LEU A 33 10.664 5.383 1.942 1.00 64.54 H new ATOM 0 HD23 LEU A 33 8.981 4.842 1.738 1.00 64.54 H new ATOM 509 N TRP A 34 12.450 0.177 1.818 1.00 72.33 N ATOM 510 CA TRP A 34 12.961 -0.902 2.646 1.00 55.45 C ATOM 511 C TRP A 34 14.478 -0.737 2.754 1.00 30.13 C ATOM 512 O TRP A 34 15.023 -0.683 3.856 1.00 12.51 O ATOM 513 CB TRP A 34 12.546 -2.265 2.087 1.00 74.31 C ATOM 514 CG TRP A 34 11.109 -2.666 2.427 1.00 12.11 C ATOM 515 CD1 TRP A 34 9.993 -2.398 1.736 1.00 52.10 C ATOM 516 CD2 TRP A 34 10.677 -3.423 3.577 1.00 12.11 C ATOM 517 NE1 TRP A 34 8.877 -2.925 2.354 1.00 22.54 N ATOM 518 CE2 TRP A 34 9.306 -3.568 3.510 1.00 74.44 C ATOM 519 CE3 TRP A 34 11.421 -3.967 4.640 1.00 40.32 C ATOM 520 CZ2 TRP A 34 8.561 -4.254 4.475 1.00 41.53 C ATOM 521 CZ3 TRP A 34 10.659 -4.651 5.596 1.00 33.40 C ATOM 522 CH2 TRP A 34 9.279 -4.805 5.542 1.00 2.54 C ATOM 0 H TRP A 34 11.844 -0.122 1.054 1.00 72.33 H new ATOM 0 HA TRP A 34 12.534 -0.856 3.648 1.00 55.45 H new ATOM 0 HB2 TRP A 34 12.662 -2.252 1.003 1.00 74.31 H new ATOM 0 HB3 TRP A 34 13.225 -3.026 2.471 1.00 74.31 H new ATOM 0 HD1 TRP A 34 9.970 -1.840 0.812 1.00 52.10 H new ATOM 0 HE1 TRP A 34 7.915 -2.856 2.024 1.00 22.54 H new ATOM 0 HE3 TRP A 34 12.494 -3.865 4.713 1.00 40.32 H new ATOM 0 HZ2 TRP A 34 7.488 -4.353 4.400 1.00 41.53 H new ATOM 0 HZ3 TRP A 34 11.181 -5.089 6.434 1.00 33.40 H new ATOM 0 HH2 TRP A 34 8.763 -5.348 6.320 1.00 2.54 H new