USER MOD reduce.3.24.130724 H: found=0, std=0, add=254, rem=0, adj=4 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+ -104:sc= -0.0555 (180deg=-1.38!) USER MOD Single : A 17 LYS NZ :NH3+ 149:sc= -0.177 (180deg=-1.04) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0.0572 K(o=0.057,f=-1.2) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,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 -24.380 2.451 -6.302 1.00 24.23 N ATOM 9 CA ILE A 2 -24.858 1.806 -5.091 1.00 4.23 C ATOM 10 C ILE A 2 -23.894 0.683 -4.702 1.00 1.10 C ATOM 11 O ILE A 2 -23.625 0.472 -3.520 1.00 21.42 O ATOM 12 CB ILE A 2 -26.305 1.341 -5.266 1.00 23.14 C ATOM 13 CG1 ILE A 2 -26.826 0.677 -3.989 1.00 50.22 C ATOM 14 CG2 ILE A 2 -26.444 0.428 -6.485 1.00 1.22 C ATOM 15 CD1 ILE A 2 -28.286 1.054 -3.732 1.00 21.32 C ATOM 0 HA ILE A 2 -24.874 2.515 -4.263 1.00 4.23 H new ATOM 0 HB ILE A 2 -26.926 2.218 -5.449 1.00 23.14 H new ATOM 0 HG12 ILE A 2 -26.736 -0.406 -4.075 1.00 50.22 H new ATOM 0 HG13 ILE A 2 -26.213 0.981 -3.140 1.00 50.22 H new ATOM 0 HG21 ILE A 2 -27.482 0.112 -6.586 1.00 1.22 H new ATOM 0 HG22 ILE A 2 -26.140 0.969 -7.381 1.00 1.22 H new ATOM 0 HG23 ILE A 2 -25.809 -0.448 -6.357 1.00 1.22 H new ATOM 0 HD11 ILE A 2 -28.632 0.569 -2.819 1.00 21.32 H new ATOM 0 HD12 ILE A 2 -28.369 2.135 -3.622 1.00 21.32 H new ATOM 0 HD13 ILE A 2 -28.900 0.727 -4.571 1.00 21.32 H new ATOM 27 N GLY A 3 -23.401 -0.008 -5.719 1.00 44.34 N ATOM 28 CA GLY A 3 -22.474 -1.105 -5.498 1.00 41.32 C ATOM 29 C GLY A 3 -21.058 -0.583 -5.245 1.00 15.03 C ATOM 30 O GLY A 3 -20.165 -1.348 -4.883 1.00 70.44 O ATOM 0 H GLY A 3 -23.626 0.170 -6.698 1.00 44.34 H new ATOM 0 HA2 GLY A 3 -22.804 -1.699 -4.646 1.00 41.32 H new ATOM 0 HA3 GLY A 3 -22.473 -1.765 -6.365 1.00 41.32 H new ATOM 34 N ALA A 4 -20.896 0.717 -5.444 1.00 62.34 N ATOM 35 CA ALA A 4 -19.604 1.351 -5.243 1.00 5.22 C ATOM 36 C ALA A 4 -19.354 1.520 -3.742 1.00 54.22 C ATOM 37 O ALA A 4 -18.213 1.695 -3.316 1.00 72.12 O ATOM 38 CB ALA A 4 -19.565 2.683 -5.994 1.00 23.34 C ATOM 0 H ALA A 4 -21.639 1.349 -5.743 1.00 62.34 H new ATOM 0 HA ALA A 4 -18.804 0.729 -5.644 1.00 5.22 H new ATOM 0 HB1 ALA A 4 -18.596 3.158 -5.843 1.00 23.34 H new ATOM 0 HB2 ALA A 4 -19.720 2.505 -7.058 1.00 23.34 H new ATOM 0 HB3 ALA A 4 -20.352 3.336 -5.617 1.00 23.34 H new ATOM 44 N LEU A 5 -20.437 1.462 -2.983 1.00 23.31 N ATOM 45 CA LEU A 5 -20.350 1.607 -1.540 1.00 43.34 C ATOM 46 C LEU A 5 -19.347 0.590 -0.991 1.00 14.32 C ATOM 47 O LEU A 5 -18.708 0.834 0.033 1.00 63.03 O ATOM 48 CB LEU A 5 -21.738 1.504 -0.905 1.00 34.42 C ATOM 49 CG LEU A 5 -22.432 2.832 -0.594 1.00 32.22 C ATOM 50 CD1 LEU A 5 -23.108 3.404 -1.841 1.00 71.13 C ATOM 51 CD2 LEU A 5 -23.412 2.678 0.570 1.00 63.30 C ATOM 0 H LEU A 5 -21.381 1.316 -3.340 1.00 23.31 H new ATOM 0 HA LEU A 5 -19.979 2.598 -1.279 1.00 43.34 H new ATOM 0 HB2 LEU A 5 -22.380 0.929 -1.572 1.00 34.42 H new ATOM 0 HB3 LEU A 5 -21.651 0.936 0.021 1.00 34.42 H new ATOM 0 HG LEU A 5 -21.673 3.549 -0.283 1.00 32.22 H new ATOM 0 HD11 LEU A 5 -23.593 4.348 -1.591 1.00 71.13 H new ATOM 0 HD12 LEU A 5 -22.359 3.574 -2.615 1.00 71.13 H new ATOM 0 HD13 LEU A 5 -23.854 2.698 -2.207 1.00 71.13 H new ATOM 0 HD21 LEU A 5 -23.892 3.636 0.771 1.00 63.30 H new ATOM 0 HD22 LEU A 5 -24.171 1.939 0.312 1.00 63.30 H new ATOM 0 HD23 LEU A 5 -22.873 2.349 1.458 1.00 63.30 H new ATOM 63 N PHE A 6 -19.238 -0.527 -1.695 1.00 10.52 N ATOM 64 CA PHE A 6 -18.323 -1.580 -1.290 1.00 43.15 C ATOM 65 C PHE A 6 -16.921 -1.335 -1.851 1.00 31.32 C ATOM 66 O PHE A 6 -15.933 -1.426 -1.125 1.00 4.21 O ATOM 67 CB PHE A 6 -18.867 -2.890 -1.865 1.00 51.41 C ATOM 68 CG PHE A 6 -19.587 -3.768 -0.839 1.00 62.31 C ATOM 69 CD1 PHE A 6 -20.923 -3.996 -0.958 1.00 55.10 C ATOM 70 CD2 PHE A 6 -18.892 -4.320 0.191 1.00 22.44 C ATOM 71 CE1 PHE A 6 -21.592 -4.811 -0.006 1.00 31.23 C ATOM 72 CE2 PHE A 6 -19.562 -5.134 1.144 1.00 55.43 C ATOM 73 CZ PHE A 6 -20.896 -5.362 1.025 1.00 71.32 C ATOM 0 H PHE A 6 -19.768 -0.726 -2.543 1.00 10.52 H new ATOM 0 HA PHE A 6 -18.250 -1.611 -0.203 1.00 43.15 H new ATOM 0 HB2 PHE A 6 -19.556 -2.660 -2.678 1.00 51.41 H new ATOM 0 HB3 PHE A 6 -18.042 -3.456 -2.297 1.00 51.41 H new ATOM 0 HD1 PHE A 6 -21.475 -3.557 -1.776 1.00 55.10 H new ATOM 0 HD2 PHE A 6 -17.831 -4.140 0.285 1.00 22.44 H new ATOM 0 HE1 PHE A 6 -22.652 -4.993 -0.101 1.00 31.23 H new ATOM 0 HE2 PHE A 6 -19.011 -5.571 1.963 1.00 55.43 H new ATOM 0 HZ PHE A 6 -21.404 -5.981 1.749 1.00 71.32 H new ATOM 83 N LEU A 7 -16.879 -1.028 -3.139 1.00 75.03 N ATOM 84 CA LEU A 7 -15.614 -0.769 -3.806 1.00 63.34 C ATOM 85 C LEU A 7 -14.839 0.293 -3.025 1.00 34.24 C ATOM 86 O LEU A 7 -13.616 0.222 -2.920 1.00 10.34 O ATOM 87 CB LEU A 7 -15.848 -0.405 -5.274 1.00 14.22 C ATOM 88 CG LEU A 7 -15.583 -1.515 -6.291 1.00 41.44 C ATOM 89 CD1 LEU A 7 -16.732 -2.525 -6.314 1.00 5.13 C ATOM 90 CD2 LEU A 7 -15.303 -0.934 -7.679 1.00 62.13 C ATOM 0 H LEU A 7 -17.701 -0.953 -3.739 1.00 75.03 H new ATOM 0 HA LEU A 7 -14.998 -1.668 -3.818 1.00 63.34 H new ATOM 0 HB2 LEU A 7 -16.881 -0.076 -5.386 1.00 14.22 H new ATOM 0 HB3 LEU A 7 -15.214 0.446 -5.522 1.00 14.22 H new ATOM 0 HG LEU A 7 -14.687 -2.053 -5.981 1.00 41.44 H new ATOM 0 HD11 LEU A 7 -16.517 -3.304 -7.046 1.00 5.13 H new ATOM 0 HD12 LEU A 7 -16.841 -2.975 -5.327 1.00 5.13 H new ATOM 0 HD13 LEU A 7 -17.658 -2.017 -6.585 1.00 5.13 H new ATOM 0 HD21 LEU A 7 -15.118 -1.746 -8.383 1.00 62.13 H new ATOM 0 HD22 LEU A 7 -16.164 -0.355 -8.012 1.00 62.13 H new ATOM 0 HD23 LEU A 7 -14.427 -0.287 -7.633 1.00 62.13 H new ATOM 102 N GLY A 8 -15.583 1.254 -2.496 1.00 24.21 N ATOM 103 CA GLY A 8 -14.981 2.330 -1.726 1.00 55.35 C ATOM 104 C GLY A 8 -14.405 1.806 -0.410 1.00 53.41 C ATOM 105 O GLY A 8 -13.234 2.031 -0.107 1.00 75.01 O ATOM 0 H GLY A 8 -16.598 1.310 -2.586 1.00 24.21 H new ATOM 0 HA2 GLY A 8 -14.191 2.802 -2.310 1.00 55.35 H new ATOM 0 HA3 GLY A 8 -15.728 3.097 -1.521 1.00 55.35 H new ATOM 109 N PHE A 9 -15.253 1.116 0.338 1.00 33.23 N ATOM 110 CA PHE A 9 -14.842 0.559 1.616 1.00 62.32 C ATOM 111 C PHE A 9 -13.559 -0.261 1.470 1.00 74.34 C ATOM 112 O PHE A 9 -12.598 -0.054 2.208 1.00 52.03 O ATOM 113 CB PHE A 9 -15.971 -0.361 2.086 1.00 70.32 C ATOM 114 CG PHE A 9 -17.289 0.363 2.365 1.00 50.20 C ATOM 115 CD1 PHE A 9 -17.343 1.721 2.313 1.00 61.24 C ATOM 116 CD2 PHE A 9 -18.408 -0.350 2.665 1.00 4.41 C ATOM 117 CE1 PHE A 9 -18.567 2.393 2.572 1.00 12.05 C ATOM 118 CE2 PHE A 9 -19.631 0.322 2.924 1.00 21.31 C ATOM 119 CZ PHE A 9 -19.685 1.680 2.873 1.00 42.33 C ATOM 0 H PHE A 9 -16.223 0.930 0.084 1.00 33.23 H new ATOM 0 HA PHE A 9 -14.648 1.362 2.327 1.00 62.32 H new ATOM 0 HB2 PHE A 9 -16.142 -1.126 1.328 1.00 70.32 H new ATOM 0 HB3 PHE A 9 -15.652 -0.876 2.992 1.00 70.32 H new ATOM 0 HD1 PHE A 9 -16.455 2.288 2.075 1.00 61.24 H new ATOM 0 HD2 PHE A 9 -18.366 -1.428 2.706 1.00 4.41 H new ATOM 0 HE1 PHE A 9 -18.610 3.471 2.530 1.00 12.05 H new ATOM 0 HE2 PHE A 9 -20.519 -0.245 3.162 1.00 21.31 H new ATOM 0 HZ PHE A 9 -20.615 2.192 3.071 1.00 42.33 H new ATOM 129 N LEU A 10 -13.586 -1.176 0.511 1.00 33.12 N ATOM 130 CA LEU A 10 -12.437 -2.029 0.257 1.00 34.35 C ATOM 131 C LEU A 10 -11.367 -1.227 -0.487 1.00 62.40 C ATOM 132 O LEU A 10 -10.184 -1.561 -0.430 1.00 22.43 O ATOM 133 CB LEU A 10 -12.866 -3.305 -0.469 1.00 13.02 C ATOM 134 CG LEU A 10 -14.125 -3.990 0.065 1.00 20.22 C ATOM 135 CD1 LEU A 10 -14.811 -4.808 -1.031 1.00 24.43 C ATOM 136 CD2 LEU A 10 -13.808 -4.836 1.299 1.00 55.43 C ATOM 0 H LEU A 10 -14.386 -1.345 -0.099 1.00 33.12 H new ATOM 0 HA LEU A 10 -11.993 -2.360 1.196 1.00 34.35 H new ATOM 0 HB2 LEU A 10 -13.025 -3.065 -1.520 1.00 13.02 H new ATOM 0 HB3 LEU A 10 -12.043 -4.018 -0.426 1.00 13.02 H new ATOM 0 HG LEU A 10 -14.828 -3.217 0.377 1.00 20.22 H new ATOM 0 HD11 LEU A 10 -15.703 -5.285 -0.625 1.00 24.43 H new ATOM 0 HD12 LEU A 10 -15.093 -4.150 -1.853 1.00 24.43 H new ATOM 0 HD13 LEU A 10 -14.126 -5.573 -1.397 1.00 24.43 H new ATOM 0 HD21 LEU A 10 -14.721 -5.312 1.658 1.00 55.43 H new ATOM 0 HD22 LEU A 10 -13.078 -5.602 1.037 1.00 55.43 H new ATOM 0 HD23 LEU A 10 -13.399 -4.198 2.082 1.00 55.43 H new ATOM 148 N GLY A 11 -11.821 -0.186 -1.170 1.00 3.04 N ATOM 149 CA GLY A 11 -10.917 0.666 -1.924 1.00 33.51 C ATOM 150 C GLY A 11 -9.880 1.315 -1.006 1.00 63.23 C ATOM 151 O GLY A 11 -8.749 1.565 -1.420 1.00 23.53 O ATOM 0 H GLY A 11 -12.803 0.087 -1.217 1.00 3.04 H new ATOM 0 HA2 GLY A 11 -10.412 0.078 -2.690 1.00 33.51 H new ATOM 0 HA3 GLY A 11 -11.486 1.440 -2.439 1.00 33.51 H new ATOM 155 N ALA A 12 -10.302 1.569 0.224 1.00 43.52 N ATOM 156 CA ALA A 12 -9.423 2.183 1.206 1.00 75.44 C ATOM 157 C ALA A 12 -8.147 1.348 1.335 1.00 71.52 C ATOM 158 O ALA A 12 -7.043 1.890 1.325 1.00 74.45 O ATOM 159 CB ALA A 12 -10.164 2.327 2.536 1.00 55.31 C ATOM 0 H ALA A 12 -11.241 1.361 0.563 1.00 43.52 H new ATOM 0 HA ALA A 12 -9.131 3.183 0.887 1.00 75.44 H new ATOM 0 HB1 ALA A 12 -9.505 2.787 3.272 1.00 55.31 H new ATOM 0 HB2 ALA A 12 -11.045 2.954 2.396 1.00 55.31 H new ATOM 0 HB3 ALA A 12 -10.471 1.343 2.890 1.00 55.31 H new ATOM 165 N ALA A 13 -8.342 0.044 1.454 1.00 44.20 N ATOM 166 CA ALA A 13 -7.221 -0.871 1.587 1.00 72.35 C ATOM 167 C ALA A 13 -6.458 -0.931 0.261 1.00 10.25 C ATOM 168 O ALA A 13 -5.264 -1.229 0.241 1.00 64.53 O ATOM 169 CB ALA A 13 -7.731 -2.245 2.028 1.00 72.54 C ATOM 0 H ALA A 13 -9.260 -0.402 1.461 1.00 44.20 H new ATOM 0 HA ALA A 13 -6.528 -0.520 2.352 1.00 72.35 H new ATOM 0 HB1 ALA A 13 -6.890 -2.931 2.127 1.00 72.54 H new ATOM 0 HB2 ALA A 13 -8.240 -2.153 2.988 1.00 72.54 H new ATOM 0 HB3 ALA A 13 -8.427 -2.631 1.283 1.00 72.54 H new ATOM 175 N GLY A 14 -7.179 -0.643 -0.813 1.00 11.15 N ATOM 176 CA GLY A 14 -6.585 -0.660 -2.138 1.00 13.10 C ATOM 177 C GLY A 14 -5.443 0.354 -2.241 1.00 24.44 C ATOM 178 O GLY A 14 -4.301 -0.017 -2.508 1.00 24.01 O ATOM 0 H GLY A 14 -8.169 -0.397 -0.792 1.00 11.15 H new ATOM 0 HA2 GLY A 14 -6.210 -1.659 -2.359 1.00 13.10 H new ATOM 0 HA3 GLY A 14 -7.346 -0.433 -2.884 1.00 13.10 H new ATOM 182 N SER A 15 -5.792 1.614 -2.024 1.00 0.32 N ATOM 183 CA SER A 15 -4.811 2.683 -2.089 1.00 0.55 C ATOM 184 C SER A 15 -3.636 2.372 -1.161 1.00 2.35 C ATOM 185 O SER A 15 -2.479 2.581 -1.526 1.00 24.13 O ATOM 186 CB SER A 15 -5.438 4.029 -1.718 1.00 63.33 C ATOM 187 OG SER A 15 -6.394 4.456 -2.685 1.00 21.41 O ATOM 0 H SER A 15 -6.740 1.918 -1.803 1.00 0.32 H new ATOM 0 HA SER A 15 -4.448 2.752 -3.114 1.00 0.55 H new ATOM 0 HB2 SER A 15 -5.919 3.949 -0.743 1.00 63.33 H new ATOM 0 HB3 SER A 15 -4.654 4.781 -1.626 1.00 63.33 H new ATOM 0 HG SER A 15 -6.773 5.318 -2.412 1.00 21.41 H new ATOM 193 N LYS A 16 -3.971 1.879 0.023 1.00 42.25 N ATOM 194 CA LYS A 16 -2.958 1.536 1.006 1.00 20.43 C ATOM 195 C LYS A 16 -1.916 0.621 0.361 1.00 55.00 C ATOM 196 O LYS A 16 -0.772 1.026 0.154 1.00 21.53 O ATOM 197 CB LYS A 16 -3.606 0.944 2.259 1.00 51.01 C ATOM 198 CG LYS A 16 -2.564 0.704 3.354 1.00 33.35 C ATOM 199 CD LYS A 16 -2.126 -0.762 3.383 1.00 34.35 C ATOM 200 CE LYS A 16 -0.629 -0.881 3.674 1.00 61.13 C ATOM 201 NZ LYS A 16 -0.345 -2.120 4.431 1.00 44.11 N ATOM 0 H LYS A 16 -4.931 1.709 0.323 1.00 42.25 H new ATOM 0 HA LYS A 16 -2.433 2.431 1.340 1.00 20.43 H new ATOM 0 HB2 LYS A 16 -4.377 1.620 2.628 1.00 51.01 H new ATOM 0 HB3 LYS A 16 -4.099 0.005 2.009 1.00 51.01 H new ATOM 0 HG2 LYS A 16 -1.698 1.343 3.183 1.00 33.35 H new ATOM 0 HG3 LYS A 16 -2.979 0.983 4.323 1.00 33.35 H new ATOM 0 HD2 LYS A 16 -2.692 -1.299 4.144 1.00 34.35 H new ATOM 0 HD3 LYS A 16 -2.353 -1.232 2.426 1.00 34.35 H new ATOM 0 HE2 LYS A 16 -0.070 -0.883 2.738 1.00 61.13 H new ATOM 0 HE3 LYS A 16 -0.293 -0.015 4.244 1.00 61.13 H new ATOM 0 HZ1 LYS A 16 -0.169 -1.885 5.429 1.00 44.11 H new ATOM 0 HZ2 LYS A 16 -1.161 -2.762 4.365 1.00 44.11 H new ATOM 0 HZ3 LYS A 16 0.495 -2.586 4.032 1.00 44.11 H new ATOM 214 N LYS A 17 -2.346 -0.595 0.061 1.00 62.51 N ATOM 215 CA LYS A 17 -1.465 -1.571 -0.556 1.00 34.41 C ATOM 216 C LYS A 17 -0.907 -0.994 -1.860 1.00 62.10 C ATOM 217 O LYS A 17 0.209 -0.476 -1.885 1.00 60.13 O ATOM 218 CB LYS A 17 -2.187 -2.907 -0.735 1.00 44.52 C ATOM 219 CG LYS A 17 -2.598 -3.493 0.618 1.00 73.44 C ATOM 220 CD LYS A 17 -1.377 -3.984 1.398 1.00 55.31 C ATOM 221 CE LYS A 17 -1.490 -5.477 1.710 1.00 11.24 C ATOM 222 NZ LYS A 17 -1.739 -6.248 0.472 1.00 42.24 N ATOM 0 H LYS A 17 -3.295 -0.927 0.234 1.00 62.51 H new ATOM 0 HA LYS A 17 -0.614 -1.780 0.092 1.00 34.41 H new ATOM 0 HB2 LYS A 17 -3.070 -2.767 -1.358 1.00 44.52 H new ATOM 0 HB3 LYS A 17 -1.537 -3.609 -1.257 1.00 44.52 H new ATOM 0 HG2 LYS A 17 -3.126 -2.737 1.200 1.00 73.44 H new ATOM 0 HG3 LYS A 17 -3.292 -4.319 0.464 1.00 73.44 H new ATOM 0 HD2 LYS A 17 -0.472 -3.797 0.820 1.00 55.31 H new ATOM 0 HD3 LYS A 17 -1.284 -3.421 2.327 1.00 55.31 H new ATOM 0 HE2 LYS A 17 -0.573 -5.826 2.184 1.00 11.24 H new ATOM 0 HE3 LYS A 17 -2.300 -5.646 2.420 1.00 11.24 H new ATOM 0 HZ1 LYS A 17 -1.313 -7.193 0.560 1.00 42.24 H new ATOM 0 HZ2 LYS A 17 -2.764 -6.343 0.322 1.00 42.24 H new ATOM 0 HZ3 LYS A 17 -1.315 -5.751 -0.337 1.00 42.24 H new ATOM 254 N LYS A 19 -2.178 0.124 -10.205 1.00 35.51 N ATOM 255 CA LYS A 19 -3.253 0.893 -10.811 1.00 3.44 C ATOM 256 C LYS A 19 -3.645 0.253 -12.143 1.00 51.03 C ATOM 257 O LYS A 19 -3.011 -0.703 -12.587 1.00 2.21 O ATOM 258 CB LYS A 19 -2.857 2.366 -10.928 1.00 62.14 C ATOM 259 CG LYS A 19 -2.237 2.873 -9.625 1.00 11.25 C ATOM 260 CD LYS A 19 -3.311 3.100 -8.558 1.00 32.34 C ATOM 261 CE LYS A 19 -3.995 4.455 -8.750 1.00 2.05 C ATOM 262 NZ LYS A 19 -5.245 4.522 -7.958 1.00 53.34 N ATOM 0 HA LYS A 19 -4.139 0.875 -10.177 1.00 3.44 H new ATOM 0 HB2 LYS A 19 -2.147 2.491 -11.745 1.00 62.14 H new ATOM 0 HB3 LYS A 19 -3.735 2.964 -11.174 1.00 62.14 H new ATOM 0 HG2 LYS A 19 -1.505 2.152 -9.262 1.00 11.25 H new ATOM 0 HG3 LYS A 19 -1.702 3.804 -9.811 1.00 11.25 H new ATOM 0 HD2 LYS A 19 -4.053 2.303 -8.608 1.00 32.34 H new ATOM 0 HD3 LYS A 19 -2.860 3.053 -7.567 1.00 32.34 H new ATOM 0 HE2 LYS A 19 -3.321 5.256 -8.445 1.00 2.05 H new ATOM 0 HE3 LYS A 19 -4.218 4.610 -9.806 1.00 2.05 H new ATOM 0 HZ1 LYS A 19 -5.697 5.448 -8.100 1.00 53.34 H new ATOM 0 HZ2 LYS A 19 -5.893 3.770 -8.268 1.00 53.34 H new ATOM 0 HZ3 LYS A 19 -5.024 4.395 -6.950 1.00 53.34 H new ATOM 275 N ASN A 20 -4.688 0.806 -12.745 1.00 53.13 N ATOM 276 CA ASN A 20 -5.172 0.301 -14.019 1.00 43.31 C ATOM 277 C ASN A 20 -6.002 1.385 -14.710 1.00 14.51 C ATOM 278 O ASN A 20 -6.330 2.402 -14.102 1.00 13.00 O ATOM 279 CB ASN A 20 -6.065 -0.925 -13.821 1.00 21.32 C ATOM 280 CG ASN A 20 -5.775 -1.992 -14.878 1.00 52.25 C ATOM 281 OD1 ASN A 20 -6.238 -1.929 -16.005 1.00 60.34 O ATOM 282 ND2 ASN A 20 -4.982 -2.972 -14.453 1.00 50.12 N ATOM 0 H ASN A 20 -5.211 1.599 -12.374 1.00 53.13 H new ATOM 0 HA ASN A 20 -4.308 0.024 -14.623 1.00 43.31 H new ATOM 0 HB2 ASN A 20 -5.903 -1.340 -12.826 1.00 21.32 H new ATOM 0 HB3 ASN A 20 -7.113 -0.629 -13.876 1.00 21.32 H new ATOM 0 HD21 ASN A 20 -4.727 -3.732 -15.084 1.00 50.12 H new ATOM 0 HD22 ASN A 20 -4.629 -2.964 -13.496 1.00 50.12 H new ATOM 289 N GLU A 21 -6.315 1.130 -15.971 1.00 61.25 N ATOM 290 CA GLU A 21 -7.101 2.071 -16.752 1.00 53.12 C ATOM 291 C GLU A 21 -8.540 2.117 -16.237 1.00 62.34 C ATOM 292 O GLU A 21 -9.107 3.194 -16.060 1.00 74.21 O ATOM 293 CB GLU A 21 -7.061 1.717 -18.240 1.00 41.55 C ATOM 294 CG GLU A 21 -6.953 2.976 -19.101 1.00 34.21 C ATOM 295 CD GLU A 21 -6.369 2.653 -20.478 1.00 45.54 C ATOM 296 OE1 GLU A 21 -5.152 2.449 -20.602 1.00 42.24 O ATOM 297 OE2 GLU A 21 -7.228 2.614 -21.439 1.00 42.12 O ATOM 0 H GLU A 21 -6.039 0.286 -16.472 1.00 61.25 H new ATOM 0 HA GLU A 21 -6.664 3.063 -16.637 1.00 53.12 H new ATOM 0 HB2 GLU A 21 -6.212 1.062 -18.439 1.00 41.55 H new ATOM 0 HB3 GLU A 21 -7.960 1.164 -18.510 1.00 41.55 H new ATOM 0 HG2 GLU A 21 -7.939 3.427 -19.217 1.00 34.21 H new ATOM 0 HG3 GLU A 21 -6.324 3.711 -18.599 1.00 34.21 H new ATOM 305 N GLN A 22 -9.093 0.933 -16.013 1.00 13.44 N ATOM 306 CA GLN A 22 -10.456 0.824 -15.523 1.00 2.14 C ATOM 307 C GLN A 22 -10.602 1.566 -14.192 1.00 74.44 C ATOM 308 O GLN A 22 -11.572 2.295 -13.988 1.00 73.21 O ATOM 309 CB GLN A 22 -10.872 -0.642 -15.381 1.00 21.23 C ATOM 310 CG GLN A 22 -12.326 -0.756 -14.915 1.00 54.24 C ATOM 311 CD GLN A 22 -12.614 -2.152 -14.358 1.00 0.21 C ATOM 312 OE1 GLN A 22 -13.183 -3.007 -15.016 1.00 34.11 O ATOM 313 NE2 GLN A 22 -12.190 -2.333 -13.110 1.00 25.25 N ATOM 0 H GLN A 22 -8.621 0.041 -16.162 1.00 13.44 H new ATOM 0 HA GLN A 22 -11.121 1.288 -16.251 1.00 2.14 H new ATOM 0 HB2 GLN A 22 -10.751 -1.152 -16.337 1.00 21.23 H new ATOM 0 HB3 GLN A 22 -10.217 -1.142 -14.668 1.00 21.23 H new ATOM 0 HG2 GLN A 22 -12.526 -0.006 -14.149 1.00 54.24 H new ATOM 0 HG3 GLN A 22 -12.997 -0.547 -15.749 1.00 54.24 H new ATOM 0 HE21 GLN A 22 -11.720 -1.574 -12.616 1.00 25.25 H new ATOM 0 HE22 GLN A 22 -12.335 -3.230 -12.647 1.00 25.25 H new ATOM 322 N GLU A 23 -9.625 1.356 -13.323 1.00 62.32 N ATOM 323 CA GLU A 23 -9.634 1.996 -12.019 1.00 11.42 C ATOM 324 C GLU A 23 -9.751 3.513 -12.173 1.00 33.33 C ATOM 325 O GLU A 23 -10.365 4.180 -11.342 1.00 0.44 O ATOM 326 CB GLU A 23 -8.386 1.621 -11.216 1.00 10.11 C ATOM 327 CG GLU A 23 -8.588 0.298 -10.475 1.00 21.12 C ATOM 328 CD GLU A 23 -8.835 0.537 -8.984 1.00 62.44 C ATOM 329 OE1 GLU A 23 -8.292 1.492 -8.410 1.00 73.34 O ATOM 330 OE2 GLU A 23 -9.625 -0.313 -8.420 1.00 22.24 O ATOM 0 H GLU A 23 -8.822 0.752 -13.496 1.00 62.32 H new ATOM 0 HA GLU A 23 -10.503 1.639 -11.466 1.00 11.42 H new ATOM 0 HB2 GLU A 23 -7.529 1.540 -11.885 1.00 10.11 H new ATOM 0 HB3 GLU A 23 -8.158 2.411 -10.501 1.00 10.11 H new ATOM 0 HG2 GLU A 23 -9.433 -0.239 -10.906 1.00 21.12 H new ATOM 0 HG3 GLU A 23 -7.709 -0.334 -10.605 1.00 21.12 H new ATOM 338 N LEU A 24 -9.152 4.015 -13.243 1.00 14.21 N ATOM 339 CA LEU A 24 -9.181 5.442 -13.517 1.00 53.12 C ATOM 340 C LEU A 24 -10.587 5.841 -13.971 1.00 54.30 C ATOM 341 O LEU A 24 -11.089 6.898 -13.592 1.00 1.52 O ATOM 342 CB LEU A 24 -8.083 5.819 -14.513 1.00 75.22 C ATOM 343 CG LEU A 24 -7.899 7.315 -14.776 1.00 3.22 C ATOM 344 CD1 LEU A 24 -6.443 7.734 -14.564 1.00 71.23 C ATOM 345 CD2 LEU A 24 -8.409 7.695 -16.167 1.00 62.24 C ATOM 0 H LEU A 24 -8.644 3.459 -13.931 1.00 14.21 H new ATOM 0 HA LEU A 24 -8.965 6.008 -12.611 1.00 53.12 H new ATOM 0 HB2 LEU A 24 -7.138 5.415 -14.151 1.00 75.22 H new ATOM 0 HB3 LEU A 24 -8.297 5.327 -15.462 1.00 75.22 H new ATOM 0 HG LEU A 24 -8.501 7.865 -14.052 1.00 3.22 H new ATOM 0 HD11 LEU A 24 -6.340 8.802 -14.757 1.00 71.23 H new ATOM 0 HD12 LEU A 24 -6.149 7.521 -13.536 1.00 71.23 H new ATOM 0 HD13 LEU A 24 -5.801 7.178 -15.247 1.00 71.23 H new ATOM 0 HD21 LEU A 24 -8.266 8.764 -16.328 1.00 62.24 H new ATOM 0 HD22 LEU A 24 -7.855 7.137 -16.922 1.00 62.24 H new ATOM 0 HD23 LEU A 24 -9.470 7.455 -16.244 1.00 62.24 H new ATOM 357 N LEU A 25 -11.182 4.974 -14.776 1.00 72.44 N ATOM 358 CA LEU A 25 -12.520 5.222 -15.286 1.00 75.14 C ATOM 359 C LEU A 25 -13.514 5.213 -14.123 1.00 40.21 C ATOM 360 O LEU A 25 -14.548 5.876 -14.181 1.00 61.40 O ATOM 361 CB LEU A 25 -12.863 4.228 -16.397 1.00 61.01 C ATOM 362 CG LEU A 25 -14.349 4.088 -16.735 1.00 72.42 C ATOM 363 CD1 LEU A 25 -14.631 4.554 -18.165 1.00 31.41 C ATOM 364 CD2 LEU A 25 -14.834 2.657 -16.493 1.00 54.51 C ATOM 0 H LEU A 25 -10.762 4.098 -15.088 1.00 72.44 H new ATOM 0 HA LEU A 25 -12.576 6.209 -15.746 1.00 75.14 H new ATOM 0 HB2 LEU A 25 -12.331 4.526 -17.301 1.00 61.01 H new ATOM 0 HB3 LEU A 25 -12.482 3.248 -16.111 1.00 61.01 H new ATOM 0 HG LEU A 25 -14.914 4.737 -16.066 1.00 72.42 H new ATOM 0 HD11 LEU A 25 -15.694 4.444 -18.380 1.00 31.41 H new ATOM 0 HD12 LEU A 25 -14.346 5.601 -18.269 1.00 31.41 H new ATOM 0 HD13 LEU A 25 -14.055 3.949 -18.865 1.00 31.41 H new ATOM 0 HD21 LEU A 25 -15.893 2.585 -16.741 1.00 54.51 H new ATOM 0 HD22 LEU A 25 -14.267 1.970 -17.121 1.00 54.51 H new ATOM 0 HD23 LEU A 25 -14.688 2.396 -15.445 1.00 54.51 H new ATOM 376 N GLU A 26 -13.165 4.455 -13.095 1.00 22.14 N ATOM 377 CA GLU A 26 -14.014 4.350 -11.920 1.00 14.13 C ATOM 378 C GLU A 26 -14.246 5.734 -11.308 1.00 13.22 C ATOM 379 O GLU A 26 -15.366 6.066 -10.923 1.00 53.23 O ATOM 380 CB GLU A 26 -13.412 3.391 -10.892 1.00 0.22 C ATOM 381 CG GLU A 26 -14.507 2.727 -10.054 1.00 50.30 C ATOM 382 CD GLU A 26 -14.432 3.180 -8.595 1.00 33.55 C ATOM 383 OE1 GLU A 26 -13.410 2.959 -7.928 1.00 33.31 O ATOM 384 OE2 GLU A 26 -15.484 3.784 -8.157 1.00 62.23 O ATOM 0 H GLU A 26 -12.306 3.907 -13.051 1.00 22.14 H new ATOM 0 HA GLU A 26 -14.977 3.943 -12.227 1.00 14.13 H new ATOM 0 HB2 GLU A 26 -12.826 2.627 -11.402 1.00 0.22 H new ATOM 0 HB3 GLU A 26 -12.729 3.934 -10.239 1.00 0.22 H new ATOM 0 HG2 GLU A 26 -15.485 2.975 -10.466 1.00 50.30 H new ATOM 0 HG3 GLU A 26 -14.404 1.643 -10.108 1.00 50.30 H new ATOM 392 N LEU A 27 -13.170 6.503 -11.238 1.00 11.25 N ATOM 393 CA LEU A 27 -13.242 7.843 -10.680 1.00 54.42 C ATOM 394 C LEU A 27 -14.144 8.710 -11.561 1.00 44.33 C ATOM 395 O LEU A 27 -14.877 9.559 -11.057 1.00 74.55 O ATOM 396 CB LEU A 27 -11.838 8.418 -10.484 1.00 54.42 C ATOM 397 CG LEU A 27 -11.691 9.466 -9.379 1.00 11.05 C ATOM 398 CD1 LEU A 27 -12.625 10.653 -9.621 1.00 61.25 C ATOM 399 CD2 LEU A 27 -11.903 8.842 -7.999 1.00 63.23 C ATOM 0 H LEU A 27 -12.243 6.224 -11.559 1.00 11.25 H new ATOM 0 HA LEU A 27 -13.693 7.819 -9.688 1.00 54.42 H new ATOM 0 HB2 LEU A 27 -11.156 7.595 -10.270 1.00 54.42 H new ATOM 0 HB3 LEU A 27 -11.514 8.863 -11.425 1.00 54.42 H new ATOM 0 HG LEU A 27 -10.671 9.849 -9.406 1.00 11.05 H new ATOM 0 HD11 LEU A 27 -12.500 11.383 -8.821 1.00 61.25 H new ATOM 0 HD12 LEU A 27 -12.383 11.117 -10.577 1.00 61.25 H new ATOM 0 HD13 LEU A 27 -13.658 10.306 -9.638 1.00 61.25 H new ATOM 0 HD21 LEU A 27 -11.793 9.609 -7.232 1.00 63.23 H new ATOM 0 HD22 LEU A 27 -12.904 8.414 -7.943 1.00 63.23 H new ATOM 0 HD23 LEU A 27 -11.164 8.058 -7.837 1.00 63.23 H new ATOM 411 N ASP A 28 -14.062 8.463 -12.859 1.00 54.05 N ATOM 412 CA ASP A 28 -14.861 9.210 -13.816 1.00 24.52 C ATOM 413 C ASP A 28 -16.342 9.072 -13.452 1.00 35.22 C ATOM 414 O ASP A 28 -17.101 10.036 -13.549 1.00 12.41 O ATOM 415 CB ASP A 28 -14.671 8.671 -15.234 1.00 34.41 C ATOM 416 CG ASP A 28 -14.677 9.734 -16.335 1.00 73.31 C ATOM 417 OD1 ASP A 28 -14.394 9.441 -17.506 1.00 55.43 O ATOM 418 OD2 ASP A 28 -14.995 10.921 -15.945 1.00 15.13 O ATOM 0 H ASP A 28 -13.454 7.755 -13.272 1.00 54.05 H new ATOM 0 HA ASP A 28 -14.542 10.252 -13.782 1.00 24.52 H new ATOM 0 HB2 ASP A 28 -13.726 8.130 -15.277 1.00 34.41 H new ATOM 0 HB3 ASP A 28 -15.461 7.950 -15.442 1.00 34.41 H new ATOM 424 N LYS A 29 -16.708 7.867 -13.043 1.00 64.31 N ATOM 425 CA LYS A 29 -18.084 7.590 -12.665 1.00 14.13 C ATOM 426 C LYS A 29 -18.367 8.213 -11.296 1.00 71.00 C ATOM 427 O LYS A 29 -19.463 8.716 -11.053 1.00 41.34 O ATOM 428 CB LYS A 29 -18.365 6.088 -12.727 1.00 73.55 C ATOM 429 CG LYS A 29 -17.857 5.490 -14.041 1.00 21.41 C ATOM 430 CD LYS A 29 -17.641 3.981 -13.908 1.00 74.23 C ATOM 431 CE LYS A 29 -18.879 3.207 -14.363 1.00 71.51 C ATOM 432 NZ LYS A 29 -18.562 1.771 -14.527 1.00 61.13 N ATOM 0 H LYS A 29 -16.076 7.070 -12.965 1.00 64.31 H new ATOM 0 HA LYS A 29 -18.774 8.049 -13.374 1.00 14.13 H new ATOM 0 HB2 LYS A 29 -17.884 5.589 -11.886 1.00 73.55 H new ATOM 0 HB3 LYS A 29 -19.436 5.910 -12.632 1.00 73.55 H new ATOM 0 HG2 LYS A 29 -18.574 5.690 -14.837 1.00 21.41 H new ATOM 0 HG3 LYS A 29 -16.922 5.971 -14.326 1.00 21.41 H new ATOM 0 HD2 LYS A 29 -16.780 3.680 -14.504 1.00 74.23 H new ATOM 0 HD3 LYS A 29 -17.413 3.733 -12.871 1.00 74.23 H new ATOM 0 HE2 LYS A 29 -19.679 3.328 -13.633 1.00 71.51 H new ATOM 0 HE3 LYS A 29 -19.244 3.615 -15.306 1.00 71.51 H new ATOM 0 HZ1 LYS A 29 -19.414 1.261 -14.836 1.00 61.13 H new ATOM 0 HZ2 LYS A 29 -17.814 1.660 -15.241 1.00 61.13 H new ATOM 0 HZ3 LYS A 29 -18.236 1.382 -13.620 1.00 61.13 H new ATOM 445 N TRP A 30 -17.360 8.157 -10.437 1.00 34.23 N ATOM 446 CA TRP A 30 -17.487 8.710 -9.099 1.00 62.21 C ATOM 447 C TRP A 30 -17.830 10.195 -9.230 1.00 52.45 C ATOM 448 O TRP A 30 -18.337 10.804 -8.290 1.00 61.02 O ATOM 449 CB TRP A 30 -16.219 8.459 -8.280 1.00 3.30 C ATOM 450 CG TRP A 30 -16.347 8.839 -6.803 1.00 52.41 C ATOM 451 CD1 TRP A 30 -16.509 8.024 -5.752 1.00 43.40 C ATOM 452 CD2 TRP A 30 -16.317 10.173 -6.253 1.00 13.21 C ATOM 453 NE1 TRP A 30 -16.584 8.732 -4.570 1.00 64.03 N ATOM 454 CE2 TRP A 30 -16.464 10.080 -4.884 1.00 74.04 C ATOM 455 CE3 TRP A 30 -16.169 11.417 -6.892 1.00 35.44 C ATOM 456 CZ2 TRP A 30 -16.478 11.195 -4.038 1.00 21.45 C ATOM 457 CZ3 TRP A 30 -16.186 12.521 -6.031 1.00 32.42 C ATOM 458 CH2 TRP A 30 -16.334 12.445 -4.652 1.00 3.11 C ATOM 0 H TRP A 30 -16.453 7.737 -10.641 1.00 34.23 H new ATOM 0 HA TRP A 30 -18.290 8.215 -8.552 1.00 62.21 H new ATOM 0 HB2 TRP A 30 -15.955 7.404 -8.352 1.00 3.30 H new ATOM 0 HB3 TRP A 30 -15.397 9.023 -8.720 1.00 3.30 H new ATOM 0 HD1 TRP A 30 -16.573 6.948 -5.821 1.00 43.40 H new ATOM 0 HE1 TRP A 30 -16.705 8.338 -3.637 1.00 64.03 H new ATOM 0 HE3 TRP A 30 -16.052 11.513 -7.961 1.00 35.44 H new ATOM 0 HZ2 TRP A 30 -16.594 11.096 -2.969 1.00 21.45 H new ATOM 0 HZ3 TRP A 30 -16.076 13.501 -6.470 1.00 32.42 H new ATOM 0 HH2 TRP A 30 -16.338 13.346 -4.056 1.00 3.11 H new ATOM 469 N ALA A 31 -17.538 10.735 -10.404 1.00 32.21 N ATOM 470 CA ALA A 31 -17.808 12.138 -10.671 1.00 5.12 C ATOM 471 C ALA A 31 -19.284 12.430 -10.393 1.00 2.21 C ATOM 472 O ALA A 31 -19.641 13.547 -10.024 1.00 13.24 O ATOM 473 CB ALA A 31 -17.410 12.470 -12.111 1.00 21.23 C ATOM 0 H ALA A 31 -17.117 10.226 -11.181 1.00 32.21 H new ATOM 0 HA ALA A 31 -17.216 12.775 -10.014 1.00 5.12 H new ATOM 0 HB1 ALA A 31 -17.613 13.522 -12.311 1.00 21.23 H new ATOM 0 HB2 ALA A 31 -16.347 12.272 -12.249 1.00 21.23 H new ATOM 0 HB3 ALA A 31 -17.987 11.852 -12.799 1.00 21.23 H new ATOM 479 N SER A 32 -20.103 11.405 -10.579 1.00 40.23 N ATOM 480 CA SER A 32 -21.532 11.538 -10.352 1.00 64.23 C ATOM 481 C SER A 32 -21.790 12.095 -8.951 1.00 14.34 C ATOM 482 O SER A 32 -22.754 12.829 -8.740 1.00 34.34 O ATOM 483 CB SER A 32 -22.244 10.195 -10.528 1.00 65.42 C ATOM 484 OG SER A 32 -22.850 10.075 -11.812 1.00 61.30 O ATOM 0 H SER A 32 -19.804 10.479 -10.884 1.00 40.23 H new ATOM 0 HA SER A 32 -21.933 12.232 -11.091 1.00 64.23 H new ATOM 0 HB2 SER A 32 -21.529 9.385 -10.388 1.00 65.42 H new ATOM 0 HB3 SER A 32 -23.006 10.085 -9.756 1.00 65.42 H new ATOM 0 HG SER A 32 -23.292 9.204 -11.885 1.00 61.30 H new ATOM 490 N LEU A 33 -20.910 11.727 -8.031 1.00 22.52 N ATOM 491 CA LEU A 33 -21.032 12.183 -6.657 1.00 43.52 C ATOM 492 C LEU A 33 -21.130 13.710 -6.636 1.00 41.03 C ATOM 493 O LEU A 33 -21.995 14.270 -5.965 1.00 74.15 O ATOM 494 CB LEU A 33 -19.887 11.629 -5.806 1.00 41.41 C ATOM 495 CG LEU A 33 -20.265 11.142 -4.406 1.00 22.20 C ATOM 496 CD1 LEU A 33 -19.770 9.715 -4.168 1.00 54.51 C ATOM 497 CD2 LEU A 33 -19.760 12.110 -3.334 1.00 13.32 C ATOM 0 H LEU A 33 -20.111 11.119 -8.210 1.00 22.52 H new ATOM 0 HA LEU A 33 -21.948 11.799 -6.209 1.00 43.52 H new ATOM 0 HB2 LEU A 33 -19.428 10.800 -6.345 1.00 41.41 H new ATOM 0 HB3 LEU A 33 -19.127 12.404 -5.706 1.00 41.41 H new ATOM 0 HG LEU A 33 -21.352 11.121 -4.335 1.00 22.20 H new ATOM 0 HD11 LEU A 33 -20.052 9.394 -3.165 1.00 54.51 H new ATOM 0 HD12 LEU A 33 -20.219 9.047 -4.903 1.00 54.51 H new ATOM 0 HD13 LEU A 33 -18.685 9.685 -4.266 1.00 54.51 H new ATOM 0 HD21 LEU A 33 -20.042 11.740 -2.348 1.00 13.32 H new ATOM 0 HD22 LEU A 33 -18.674 12.187 -3.396 1.00 13.32 H new ATOM 0 HD23 LEU A 33 -20.203 13.093 -3.493 1.00 13.32 H new ATOM 509 N TRP A 34 -20.231 14.338 -7.378 1.00 15.33 N ATOM 510 CA TRP A 34 -20.205 15.789 -7.454 1.00 14.20 C ATOM 511 C TRP A 34 -21.612 16.269 -7.815 1.00 42.42 C ATOM 512 O TRP A 34 -22.183 17.109 -7.120 1.00 51.21 O ATOM 513 CB TRP A 34 -19.138 16.268 -8.441 1.00 62.44 C ATOM 514 CG TRP A 34 -17.733 16.358 -7.844 1.00 51.03 C ATOM 515 CD1 TRP A 34 -16.798 15.400 -7.788 1.00 12.44 C ATOM 516 CD2 TRP A 34 -17.138 17.513 -7.217 1.00 13.15 C ATOM 517 NE1 TRP A 34 -15.648 15.852 -7.173 1.00 40.54 N ATOM 518 CE2 TRP A 34 -15.861 17.177 -6.815 1.00 22.44 C ATOM 519 CE3 TRP A 34 -17.660 18.799 -6.997 1.00 31.42 C ATOM 520 CZ2 TRP A 34 -15.000 18.072 -6.167 1.00 33.35 C ATOM 521 CZ3 TRP A 34 -16.788 19.682 -6.349 1.00 31.34 C ATOM 522 CH2 TRP A 34 -15.501 19.360 -5.937 1.00 54.20 C ATOM 0 H TRP A 34 -19.515 13.869 -7.932 1.00 15.33 H new ATOM 0 HA TRP A 34 -19.926 16.220 -6.493 1.00 14.20 H new ATOM 0 HB2 TRP A 34 -19.116 15.590 -9.294 1.00 62.44 H new ATOM 0 HB3 TRP A 34 -19.424 17.249 -8.821 1.00 62.44 H new ATOM 0 HD1 TRP A 34 -16.928 14.400 -8.175 1.00 12.44 H new ATOM 0 HE1 TRP A 34 -14.798 15.312 -7.011 1.00 40.54 H new ATOM 0 HE3 TRP A 34 -18.656 19.084 -7.304 1.00 31.42 H new ATOM 0 HZ2 TRP A 34 -14.005 17.785 -5.861 1.00 33.35 H new ATOM 0 HZ3 TRP A 34 -17.141 20.684 -6.156 1.00 31.34 H new ATOM 0 HH2 TRP A 34 -14.889 20.099 -5.442 1.00 54.20 H new