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+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 146:sc= -0.137 (180deg=-0.897) 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= -0.197 X(o=-0.2,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -84:sc= 1.08 USER MOD ----------------------------------------------------------------- ATOM 8 N ILE A 2 -26.693 1.094 -5.509 1.00 24.03 N ATOM 9 CA ILE A 2 -25.455 1.820 -5.279 1.00 50.42 C ATOM 10 C ILE A 2 -24.513 0.958 -4.436 1.00 53.11 C ATOM 11 O ILE A 2 -24.364 1.185 -3.237 1.00 11.11 O ATOM 12 CB ILE A 2 -25.744 3.192 -4.668 1.00 13.22 C ATOM 13 CG1 ILE A 2 -24.445 3.941 -4.361 1.00 52.32 C ATOM 14 CG2 ILE A 2 -26.639 3.066 -3.433 1.00 55.23 C ATOM 15 CD1 ILE A 2 -24.682 5.451 -4.308 1.00 5.42 C ATOM 0 HA ILE A 2 -24.948 2.018 -6.224 1.00 50.42 H new ATOM 0 HB ILE A 2 -26.291 3.784 -5.402 1.00 13.22 H new ATOM 0 HG12 ILE A 2 -24.040 3.599 -3.408 1.00 52.32 H new ATOM 0 HG13 ILE A 2 -23.701 3.713 -5.124 1.00 52.32 H new ATOM 0 HG21 ILE A 2 -26.829 4.056 -3.019 1.00 55.23 H new ATOM 0 HG22 ILE A 2 -27.585 2.603 -3.715 1.00 55.23 H new ATOM 0 HG23 ILE A 2 -26.142 2.449 -2.685 1.00 55.23 H new ATOM 0 HD11 ILE A 2 -23.743 5.959 -4.088 1.00 5.42 H new ATOM 0 HD12 ILE A 2 -25.063 5.793 -5.270 1.00 5.42 H new ATOM 0 HD13 ILE A 2 -25.409 5.678 -3.528 1.00 5.42 H new ATOM 27 N GLY A 3 -23.900 -0.013 -5.098 1.00 62.45 N ATOM 28 CA GLY A 3 -22.977 -0.910 -4.425 1.00 41.34 C ATOM 29 C GLY A 3 -21.534 -0.426 -4.577 1.00 55.33 C ATOM 30 O GLY A 3 -20.594 -1.177 -4.321 1.00 53.55 O ATOM 0 H GLY A 3 -24.025 -0.198 -6.093 1.00 62.45 H new ATOM 0 HA2 GLY A 3 -23.233 -0.975 -3.368 1.00 41.34 H new ATOM 0 HA3 GLY A 3 -23.073 -1.914 -4.838 1.00 41.34 H new ATOM 34 N ALA A 4 -21.404 0.824 -4.994 1.00 13.41 N ATOM 35 CA ALA A 4 -20.091 1.417 -5.185 1.00 51.51 C ATOM 36 C ALA A 4 -19.485 1.754 -3.820 1.00 21.14 C ATOM 37 O ALA A 4 -18.268 1.880 -3.691 1.00 63.43 O ATOM 38 CB ALA A 4 -20.210 2.645 -6.089 1.00 71.32 C ATOM 0 H ALA A 4 -22.186 1.443 -5.205 1.00 13.41 H new ATOM 0 HA ALA A 4 -19.421 0.713 -5.679 1.00 51.51 H new ATOM 0 HB1 ALA A 4 -19.225 3.089 -6.231 1.00 71.32 H new ATOM 0 HB2 ALA A 4 -20.617 2.347 -7.055 1.00 71.32 H new ATOM 0 HB3 ALA A 4 -20.873 3.375 -5.625 1.00 71.32 H new ATOM 44 N LEU A 5 -20.363 1.892 -2.838 1.00 44.12 N ATOM 45 CA LEU A 5 -19.931 2.213 -1.487 1.00 30.44 C ATOM 46 C LEU A 5 -19.029 1.093 -0.966 1.00 31.00 C ATOM 47 O LEU A 5 -17.984 1.357 -0.373 1.00 1.24 O ATOM 48 CB LEU A 5 -21.138 2.498 -0.592 1.00 63.22 C ATOM 49 CG LEU A 5 -21.165 3.871 0.081 1.00 42.11 C ATOM 50 CD1 LEU A 5 -19.962 4.049 1.010 1.00 10.23 C ATOM 51 CD2 LEU A 5 -21.258 4.990 -0.958 1.00 63.14 C ATOM 0 H LEU A 5 -21.371 1.788 -2.950 1.00 44.12 H new ATOM 0 HA LEU A 5 -19.338 3.128 -1.483 1.00 30.44 H new ATOM 0 HB2 LEU A 5 -22.042 2.391 -1.191 1.00 63.22 H new ATOM 0 HB3 LEU A 5 -21.178 1.734 0.184 1.00 63.22 H new ATOM 0 HG LEU A 5 -22.061 3.931 0.699 1.00 42.11 H new ATOM 0 HD11 LEU A 5 -20.005 5.033 1.476 1.00 10.23 H new ATOM 0 HD12 LEU A 5 -19.982 3.280 1.783 1.00 10.23 H new ATOM 0 HD13 LEU A 5 -19.041 3.960 0.434 1.00 10.23 H new ATOM 0 HD21 LEU A 5 -21.276 5.955 -0.452 1.00 63.14 H new ATOM 0 HD22 LEU A 5 -20.394 4.943 -1.621 1.00 63.14 H new ATOM 0 HD23 LEU A 5 -22.171 4.870 -1.542 1.00 63.14 H new ATOM 63 N PHE A 6 -19.466 -0.136 -1.205 1.00 33.04 N ATOM 64 CA PHE A 6 -18.711 -1.297 -0.767 1.00 11.35 C ATOM 65 C PHE A 6 -17.401 -1.426 -1.547 1.00 51.03 C ATOM 66 O PHE A 6 -16.395 -1.883 -1.007 1.00 14.02 O ATOM 67 CB PHE A 6 -19.579 -2.526 -1.044 1.00 2.22 C ATOM 68 CG PHE A 6 -18.783 -3.783 -1.397 1.00 54.03 C ATOM 69 CD1 PHE A 6 -18.570 -4.740 -0.454 1.00 62.13 C ATOM 70 CD2 PHE A 6 -18.288 -3.945 -2.653 1.00 52.00 C ATOM 71 CE1 PHE A 6 -17.831 -5.908 -0.782 1.00 10.31 C ATOM 72 CE2 PHE A 6 -17.550 -5.113 -2.981 1.00 14.43 C ATOM 73 CZ PHE A 6 -17.336 -6.069 -2.038 1.00 2.34 C ATOM 0 H PHE A 6 -20.333 -0.352 -1.696 1.00 33.04 H new ATOM 0 HA PHE A 6 -18.465 -1.203 0.291 1.00 11.35 H new ATOM 0 HB2 PHE A 6 -20.191 -2.731 -0.166 1.00 2.22 H new ATOM 0 HB3 PHE A 6 -20.262 -2.299 -1.863 1.00 2.22 H new ATOM 0 HD1 PHE A 6 -18.963 -4.612 0.544 1.00 62.13 H new ATOM 0 HD2 PHE A 6 -18.456 -3.185 -3.402 1.00 52.00 H new ATOM 0 HE1 PHE A 6 -17.662 -6.668 -0.034 1.00 10.31 H new ATOM 0 HE2 PHE A 6 -17.159 -5.242 -3.979 1.00 14.43 H new ATOM 0 HZ PHE A 6 -16.773 -6.956 -2.287 1.00 2.34 H new ATOM 83 N LEU A 7 -17.456 -1.015 -2.806 1.00 31.21 N ATOM 84 CA LEU A 7 -16.287 -1.080 -3.666 1.00 24.24 C ATOM 85 C LEU A 7 -15.256 -0.052 -3.196 1.00 1.40 C ATOM 86 O LEU A 7 -14.053 -0.281 -3.301 1.00 53.14 O ATOM 87 CB LEU A 7 -16.692 -0.917 -5.133 1.00 41.21 C ATOM 88 CG LEU A 7 -15.546 -0.712 -6.126 1.00 22.32 C ATOM 89 CD1 LEU A 7 -14.816 -2.029 -6.400 1.00 21.11 C ATOM 90 CD2 LEU A 7 -16.047 -0.056 -7.414 1.00 71.22 C ATOM 0 H LEU A 7 -18.292 -0.636 -3.251 1.00 31.21 H new ATOM 0 HA LEU A 7 -15.816 -2.060 -3.595 1.00 24.24 H new ATOM 0 HB2 LEU A 7 -17.254 -1.801 -5.435 1.00 41.21 H new ATOM 0 HB3 LEU A 7 -17.370 -0.067 -5.210 1.00 41.21 H new ATOM 0 HG LEU A 7 -14.823 -0.030 -5.678 1.00 22.32 H new ATOM 0 HD11 LEU A 7 -14.006 -1.856 -7.109 1.00 21.11 H new ATOM 0 HD12 LEU A 7 -14.406 -2.418 -5.468 1.00 21.11 H new ATOM 0 HD13 LEU A 7 -15.516 -2.753 -6.818 1.00 21.11 H new ATOM 0 HD21 LEU A 7 -15.213 0.078 -8.102 1.00 71.22 H new ATOM 0 HD22 LEU A 7 -16.801 -0.693 -7.877 1.00 71.22 H new ATOM 0 HD23 LEU A 7 -16.485 0.915 -7.181 1.00 71.22 H new ATOM 102 N GLY A 8 -15.766 1.060 -2.686 1.00 60.01 N ATOM 103 CA GLY A 8 -14.904 2.124 -2.198 1.00 74.54 C ATOM 104 C GLY A 8 -14.267 1.743 -0.860 1.00 10.42 C ATOM 105 O GLY A 8 -13.129 2.118 -0.581 1.00 34.31 O ATOM 0 H GLY A 8 -16.765 1.247 -2.600 1.00 60.01 H new ATOM 0 HA2 GLY A 8 -14.124 2.330 -2.931 1.00 74.54 H new ATOM 0 HA3 GLY A 8 -15.482 3.041 -2.082 1.00 74.54 H new ATOM 109 N PHE A 9 -15.029 1.004 -0.068 1.00 42.40 N ATOM 110 CA PHE A 9 -14.553 0.569 1.235 1.00 12.30 C ATOM 111 C PHE A 9 -13.375 -0.397 1.093 1.00 14.42 C ATOM 112 O PHE A 9 -12.364 -0.254 1.779 1.00 43.44 O ATOM 113 CB PHE A 9 -15.714 -0.158 1.915 1.00 21.01 C ATOM 114 CG PHE A 9 -16.583 0.743 2.794 1.00 25.01 C ATOM 115 CD1 PHE A 9 -17.369 0.197 3.761 1.00 1.21 C ATOM 116 CD2 PHE A 9 -16.570 2.091 2.608 1.00 65.12 C ATOM 117 CE1 PHE A 9 -18.175 1.034 4.577 1.00 30.01 C ATOM 118 CE2 PHE A 9 -17.377 2.928 3.424 1.00 64.42 C ATOM 119 CZ PHE A 9 -18.163 2.382 4.391 1.00 70.12 C ATOM 0 H PHE A 9 -15.972 0.695 -0.303 1.00 42.40 H new ATOM 0 HA PHE A 9 -14.216 1.428 1.814 1.00 12.30 H new ATOM 0 HB2 PHE A 9 -16.341 -0.615 1.150 1.00 21.01 H new ATOM 0 HB3 PHE A 9 -15.314 -0.968 2.526 1.00 21.01 H new ATOM 0 HD1 PHE A 9 -17.380 -0.873 3.908 1.00 1.21 H new ATOM 0 HD2 PHE A 9 -15.946 2.524 1.840 1.00 65.12 H new ATOM 0 HE1 PHE A 9 -18.798 0.601 5.346 1.00 30.01 H new ATOM 0 HE2 PHE A 9 -17.367 3.998 3.277 1.00 64.42 H new ATOM 0 HZ PHE A 9 -18.777 3.018 5.011 1.00 70.12 H new ATOM 129 N LEU A 10 -13.544 -1.359 0.198 1.00 55.32 N ATOM 130 CA LEU A 10 -12.507 -2.349 -0.042 1.00 2.54 C ATOM 131 C LEU A 10 -11.306 -1.671 -0.704 1.00 74.53 C ATOM 132 O LEU A 10 -10.159 -1.956 -0.359 1.00 21.44 O ATOM 133 CB LEU A 10 -13.067 -3.527 -0.841 1.00 52.31 C ATOM 134 CG LEU A 10 -12.947 -3.423 -2.364 1.00 44.41 C ATOM 135 CD1 LEU A 10 -11.594 -3.949 -2.845 1.00 42.30 C ATOM 136 CD2 LEU A 10 -14.116 -4.128 -3.055 1.00 44.42 C ATOM 0 H LEU A 10 -14.383 -1.474 -0.370 1.00 55.32 H new ATOM 0 HA LEU A 10 -12.156 -2.771 0.900 1.00 2.54 H new ATOM 0 HB2 LEU A 10 -12.558 -4.435 -0.517 1.00 52.31 H new ATOM 0 HB3 LEU A 10 -14.120 -3.645 -0.587 1.00 52.31 H new ATOM 0 HG LEU A 10 -12.998 -2.370 -2.640 1.00 44.41 H new ATOM 0 HD11 LEU A 10 -11.535 -3.864 -3.930 1.00 42.30 H new ATOM 0 HD12 LEU A 10 -10.794 -3.364 -2.391 1.00 42.30 H new ATOM 0 HD13 LEU A 10 -11.487 -4.995 -2.557 1.00 42.30 H new ATOM 0 HD21 LEU A 10 -14.007 -4.039 -4.136 1.00 44.42 H new ATOM 0 HD22 LEU A 10 -14.122 -5.182 -2.776 1.00 44.42 H new ATOM 0 HD23 LEU A 10 -15.054 -3.666 -2.746 1.00 44.42 H new ATOM 148 N GLY A 11 -11.608 -0.787 -1.644 1.00 63.42 N ATOM 149 CA GLY A 11 -10.567 -0.067 -2.358 1.00 70.43 C ATOM 150 C GLY A 11 -9.696 0.737 -1.391 1.00 73.41 C ATOM 151 O GLY A 11 -8.541 1.033 -1.692 1.00 1.40 O ATOM 0 H GLY A 11 -12.559 -0.553 -1.928 1.00 63.42 H new ATOM 0 HA2 GLY A 11 -9.947 -0.772 -2.912 1.00 70.43 H new ATOM 0 HA3 GLY A 11 -11.019 0.603 -3.089 1.00 70.43 H new ATOM 155 N ALA A 12 -10.282 1.066 -0.250 1.00 4.31 N ATOM 156 CA ALA A 12 -9.573 1.830 0.762 1.00 44.33 C ATOM 157 C ALA A 12 -8.268 1.113 1.115 1.00 32.15 C ATOM 158 O ALA A 12 -7.219 1.746 1.226 1.00 25.14 O ATOM 159 CB ALA A 12 -10.477 2.025 1.981 1.00 22.45 C ATOM 0 H ALA A 12 -11.240 0.818 -0.004 1.00 4.31 H new ATOM 0 HA ALA A 12 -9.315 2.819 0.385 1.00 44.33 H new ATOM 0 HB1 ALA A 12 -9.945 2.598 2.740 1.00 22.45 H new ATOM 0 HB2 ALA A 12 -11.377 2.563 1.684 1.00 22.45 H new ATOM 0 HB3 ALA A 12 -10.754 1.052 2.388 1.00 22.45 H new ATOM 165 N ALA A 13 -8.374 -0.197 1.280 1.00 24.55 N ATOM 166 CA ALA A 13 -7.217 -1.006 1.617 1.00 51.33 C ATOM 167 C ALA A 13 -6.159 -0.855 0.522 1.00 51.14 C ATOM 168 O ALA A 13 -4.969 -1.042 0.773 1.00 4.11 O ATOM 169 CB ALA A 13 -7.649 -2.460 1.815 1.00 54.02 C ATOM 0 H ALA A 13 -9.246 -0.719 1.186 1.00 24.55 H new ATOM 0 HA ALA A 13 -6.773 -0.669 2.554 1.00 51.33 H new ATOM 0 HB1 ALA A 13 -6.779 -3.067 2.068 1.00 54.02 H new ATOM 0 HB2 ALA A 13 -8.378 -2.516 2.623 1.00 54.02 H new ATOM 0 HB3 ALA A 13 -8.098 -2.835 0.895 1.00 54.02 H new ATOM 175 N GLY A 14 -6.630 -0.520 -0.670 1.00 61.12 N ATOM 176 CA GLY A 14 -5.740 -0.343 -1.804 1.00 32.14 C ATOM 177 C GLY A 14 -4.917 0.940 -1.660 1.00 63.43 C ATOM 178 O GLY A 14 -3.687 0.894 -1.651 1.00 24.51 O ATOM 0 H GLY A 14 -7.617 -0.366 -0.875 1.00 61.12 H new ATOM 0 HA2 GLY A 14 -5.072 -1.201 -1.884 1.00 32.14 H new ATOM 0 HA3 GLY A 14 -6.322 -0.305 -2.725 1.00 32.14 H new ATOM 182 N SER A 15 -5.627 2.052 -1.551 1.00 64.11 N ATOM 183 CA SER A 15 -4.979 3.343 -1.407 1.00 15.44 C ATOM 184 C SER A 15 -4.003 3.311 -0.228 1.00 32.45 C ATOM 185 O SER A 15 -3.036 4.071 -0.197 1.00 52.22 O ATOM 186 CB SER A 15 -6.007 4.459 -1.214 1.00 20.32 C ATOM 187 OG SER A 15 -5.526 5.716 -1.683 1.00 22.31 O ATOM 0 H SER A 15 -6.646 2.085 -1.560 1.00 64.11 H new ATOM 0 HA SER A 15 -4.426 3.551 -2.323 1.00 15.44 H new ATOM 0 HB2 SER A 15 -6.925 4.202 -1.743 1.00 20.32 H new ATOM 0 HB3 SER A 15 -6.260 4.539 -0.157 1.00 20.32 H new ATOM 0 HG SER A 15 -6.212 6.402 -1.543 1.00 22.31 H new ATOM 193 N LYS A 16 -4.293 2.425 0.713 1.00 55.35 N ATOM 194 CA LYS A 16 -3.453 2.283 1.890 1.00 2.32 C ATOM 195 C LYS A 16 -2.071 1.782 1.469 1.00 53.21 C ATOM 196 O LYS A 16 -1.063 2.440 1.726 1.00 31.13 O ATOM 197 CB LYS A 16 -4.137 1.396 2.932 1.00 2.01 C ATOM 198 CG LYS A 16 -3.362 1.402 4.251 1.00 5.22 C ATOM 199 CD LYS A 16 -4.178 0.752 5.370 1.00 64.41 C ATOM 200 CE LYS A 16 -3.602 -0.613 5.748 1.00 44.44 C ATOM 201 NZ LYS A 16 -4.295 -1.157 6.938 1.00 54.41 N ATOM 0 H LYS A 16 -5.097 1.799 0.685 1.00 55.35 H new ATOM 0 HA LYS A 16 -3.308 3.250 2.373 1.00 2.32 H new ATOM 0 HB2 LYS A 16 -5.155 1.748 3.102 1.00 2.01 H new ATOM 0 HB3 LYS A 16 -4.211 0.376 2.554 1.00 2.01 H new ATOM 0 HG2 LYS A 16 -2.420 0.868 4.126 1.00 5.22 H new ATOM 0 HG3 LYS A 16 -3.113 2.427 4.526 1.00 5.22 H new ATOM 0 HD2 LYS A 16 -4.185 1.402 6.245 1.00 64.41 H new ATOM 0 HD3 LYS A 16 -5.214 0.637 5.050 1.00 64.41 H new ATOM 0 HE2 LYS A 16 -3.708 -1.303 4.911 1.00 44.44 H new ATOM 0 HE3 LYS A 16 -2.535 -0.520 5.952 1.00 44.44 H new ATOM 0 HZ1 LYS A 16 -3.892 -2.084 7.181 1.00 54.41 H new ATOM 0 HZ2 LYS A 16 -4.172 -0.505 7.739 1.00 54.41 H new ATOM 0 HZ3 LYS A 16 -5.309 -1.264 6.731 1.00 54.41 H new ATOM 214 N LYS A 17 -2.066 0.622 0.829 1.00 73.31 N ATOM 215 CA LYS A 17 -0.824 0.025 0.370 1.00 15.42 C ATOM 216 C LYS A 17 -0.435 0.639 -0.977 1.00 20.32 C ATOM 217 O LYS A 17 0.043 1.771 -1.033 1.00 74.34 O ATOM 218 CB LYS A 17 -0.940 -1.500 0.339 1.00 2.24 C ATOM 219 CG LYS A 17 -0.867 -2.083 1.752 1.00 41.43 C ATOM 220 CD LYS A 17 0.471 -1.749 2.414 1.00 55.03 C ATOM 221 CE LYS A 17 0.979 -2.927 3.250 1.00 14.15 C ATOM 222 NZ LYS A 17 1.200 -4.113 2.393 1.00 12.22 N ATOM 0 H LYS A 17 -2.903 0.079 0.617 1.00 73.31 H new ATOM 0 HA LYS A 17 -0.016 0.246 1.068 1.00 15.42 H new ATOM 0 HB2 LYS A 17 -1.882 -1.787 -0.129 1.00 2.24 H new ATOM 0 HB3 LYS A 17 -0.140 -1.917 -0.272 1.00 2.24 H new ATOM 0 HG2 LYS A 17 -1.684 -1.687 2.355 1.00 41.43 H new ATOM 0 HG3 LYS A 17 -0.996 -3.164 1.710 1.00 41.43 H new ATOM 0 HD2 LYS A 17 1.206 -1.497 1.650 1.00 55.03 H new ATOM 0 HD3 LYS A 17 0.357 -0.870 3.049 1.00 55.03 H new ATOM 0 HE2 LYS A 17 1.909 -2.653 3.748 1.00 14.15 H new ATOM 0 HE3 LYS A 17 0.257 -3.165 4.031 1.00 14.15 H new ATOM 0 HZ1 LYS A 17 2.011 -4.655 2.753 1.00 12.22 H new ATOM 0 HZ2 LYS A 17 0.350 -4.713 2.404 1.00 12.22 H new ATOM 0 HZ3 LYS A 17 1.394 -3.806 1.419 1.00 12.22 H new ATOM 254 N LYS A 19 0.681 2.153 -8.259 1.00 72.32 N ATOM 255 CA LYS A 19 0.360 2.289 -9.670 1.00 1.22 C ATOM 256 C LYS A 19 0.231 3.774 -10.017 1.00 42.11 C ATOM 257 O LYS A 19 0.948 4.609 -9.467 1.00 34.03 O ATOM 258 CB LYS A 19 -0.880 1.466 -10.020 1.00 62.43 C ATOM 259 CG LYS A 19 -0.877 0.128 -9.278 1.00 61.21 C ATOM 260 CD LYS A 19 -1.179 -1.029 -10.232 1.00 65.24 C ATOM 261 CE LYS A 19 0.031 -1.955 -10.371 1.00 41.21 C ATOM 262 NZ LYS A 19 -0.406 -3.362 -10.511 1.00 44.43 N ATOM 0 HA LYS A 19 1.165 1.885 -10.285 1.00 1.22 H new ATOM 0 HB2 LYS A 19 -1.778 2.027 -9.762 1.00 62.43 H new ATOM 0 HB3 LYS A 19 -0.912 1.290 -11.095 1.00 62.43 H new ATOM 0 HG2 LYS A 19 0.093 -0.028 -8.807 1.00 61.21 H new ATOM 0 HG3 LYS A 19 -1.619 0.149 -8.480 1.00 61.21 H new ATOM 0 HD2 LYS A 19 -2.034 -1.595 -9.863 1.00 65.24 H new ATOM 0 HD3 LYS A 19 -1.455 -0.636 -11.210 1.00 65.24 H new ATOM 0 HE2 LYS A 19 0.622 -1.663 -11.240 1.00 41.21 H new ATOM 0 HE3 LYS A 19 0.676 -1.854 -9.498 1.00 41.21 H new ATOM 0 HZ1 LYS A 19 0.428 -3.977 -10.604 1.00 44.43 H new ATOM 0 HZ2 LYS A 19 -0.950 -3.642 -9.670 1.00 44.43 H new ATOM 0 HZ3 LYS A 19 -1.003 -3.458 -11.357 1.00 44.43 H new ATOM 275 N ASN A 20 -0.689 4.058 -10.927 1.00 34.20 N ATOM 276 CA ASN A 20 -0.922 5.427 -11.355 1.00 42.33 C ATOM 277 C ASN A 20 -2.416 5.743 -11.248 1.00 15.40 C ATOM 278 O ASN A 20 -3.250 4.842 -11.313 1.00 43.12 O ATOM 279 CB ASN A 20 -0.498 5.630 -12.810 1.00 20.11 C ATOM 280 CG ASN A 20 0.846 6.356 -12.894 1.00 70.43 C ATOM 281 OD1 ASN A 20 0.937 7.565 -12.767 1.00 21.44 O ATOM 282 ND2 ASN A 20 1.882 5.551 -13.114 1.00 50.30 N ATOM 0 H ASN A 20 -1.282 3.363 -11.380 1.00 34.20 H new ATOM 0 HA ASN A 20 -0.335 6.085 -10.714 1.00 42.33 H new ATOM 0 HB2 ASN A 20 -0.425 4.664 -13.309 1.00 20.11 H new ATOM 0 HB3 ASN A 20 -1.259 6.205 -13.337 1.00 20.11 H new ATOM 0 HD21 ASN A 20 2.823 5.939 -13.186 1.00 50.30 H new ATOM 0 HD22 ASN A 20 1.736 4.546 -13.211 1.00 50.30 H new ATOM 289 N GLU A 21 -2.707 7.025 -11.088 1.00 15.52 N ATOM 290 CA GLU A 21 -4.085 7.471 -10.972 1.00 74.32 C ATOM 291 C GLU A 21 -4.888 7.035 -12.200 1.00 62.34 C ATOM 292 O GLU A 21 -5.970 6.465 -12.067 1.00 24.25 O ATOM 293 CB GLU A 21 -4.157 8.987 -10.781 1.00 12.34 C ATOM 294 CG GLU A 21 -4.066 9.358 -9.300 1.00 44.21 C ATOM 295 CD GLU A 21 -5.080 10.447 -8.944 1.00 50.20 C ATOM 296 OE1 GLU A 21 -5.850 10.289 -7.984 1.00 74.23 O ATOM 297 OE2 GLU A 21 -5.049 11.490 -9.703 1.00 72.51 O ATOM 0 H GLU A 21 -2.012 7.770 -11.036 1.00 15.52 H new ATOM 0 HA GLU A 21 -4.524 7.006 -10.089 1.00 74.32 H new ATOM 0 HB2 GLU A 21 -3.346 9.465 -11.330 1.00 12.34 H new ATOM 0 HB3 GLU A 21 -5.090 9.366 -11.198 1.00 12.34 H new ATOM 0 HG2 GLU A 21 -4.247 8.474 -8.688 1.00 44.21 H new ATOM 0 HG3 GLU A 21 -3.059 9.705 -9.070 1.00 44.21 H new ATOM 305 N GLN A 22 -4.327 7.319 -13.366 1.00 63.44 N ATOM 306 CA GLN A 22 -4.978 6.963 -14.616 1.00 41.14 C ATOM 307 C GLN A 22 -5.362 5.481 -14.610 1.00 32.23 C ATOM 308 O GLN A 22 -6.497 5.130 -14.930 1.00 31.34 O ATOM 309 CB GLN A 22 -4.084 7.293 -15.813 1.00 60.14 C ATOM 310 CG GLN A 22 -4.832 8.152 -16.834 1.00 74.31 C ATOM 311 CD GLN A 22 -4.142 8.105 -18.200 1.00 22.00 C ATOM 312 OE1 GLN A 22 -4.764 7.912 -19.232 1.00 3.20 O ATOM 313 NE2 GLN A 22 -2.827 8.291 -18.148 1.00 43.14 N ATOM 0 H GLN A 22 -3.429 7.791 -13.472 1.00 63.44 H new ATOM 0 HA GLN A 22 -5.889 7.554 -14.711 1.00 41.14 H new ATOM 0 HB2 GLN A 22 -3.193 7.820 -15.472 1.00 60.14 H new ATOM 0 HB3 GLN A 22 -3.747 6.370 -16.286 1.00 60.14 H new ATOM 0 HG2 GLN A 22 -5.859 7.799 -16.929 1.00 74.31 H new ATOM 0 HG3 GLN A 22 -4.880 9.182 -16.482 1.00 74.31 H new ATOM 0 HE21 GLN A 22 -2.369 8.448 -17.250 1.00 43.14 H new ATOM 0 HE22 GLN A 22 -2.276 8.277 -19.006 1.00 43.14 H new ATOM 322 N GLU A 23 -4.395 4.653 -14.244 1.00 35.34 N ATOM 323 CA GLU A 23 -4.618 3.219 -14.194 1.00 63.53 C ATOM 324 C GLU A 23 -5.785 2.895 -13.257 1.00 34.53 C ATOM 325 O GLU A 23 -6.520 1.935 -13.484 1.00 50.24 O ATOM 326 CB GLU A 23 -3.349 2.481 -13.763 1.00 1.40 C ATOM 327 CG GLU A 23 -2.363 2.361 -14.926 1.00 34.30 C ATOM 328 CD GLU A 23 -1.489 1.114 -14.777 1.00 12.24 C ATOM 329 OE1 GLU A 23 -1.890 0.151 -14.108 1.00 44.22 O ATOM 330 OE2 GLU A 23 -0.354 1.168 -15.388 1.00 54.52 O ATOM 0 H GLU A 23 -3.455 4.948 -13.979 1.00 35.34 H new ATOM 0 HA GLU A 23 -4.876 2.877 -15.196 1.00 63.53 H new ATOM 0 HB2 GLU A 23 -2.878 3.012 -12.936 1.00 1.40 H new ATOM 0 HB3 GLU A 23 -3.608 1.487 -13.397 1.00 1.40 H new ATOM 0 HG2 GLU A 23 -2.910 2.316 -15.868 1.00 34.30 H new ATOM 0 HG3 GLU A 23 -1.732 3.249 -14.966 1.00 34.30 H new ATOM 338 N LEU A 24 -5.919 3.715 -12.226 1.00 41.21 N ATOM 339 CA LEU A 24 -6.983 3.529 -11.254 1.00 23.14 C ATOM 340 C LEU A 24 -8.314 3.962 -11.874 1.00 65.35 C ATOM 341 O LEU A 24 -9.333 3.299 -11.686 1.00 30.34 O ATOM 342 CB LEU A 24 -6.649 4.251 -9.948 1.00 1.24 C ATOM 343 CG LEU A 24 -6.767 3.418 -8.671 1.00 11.21 C ATOM 344 CD1 LEU A 24 -8.034 2.560 -8.692 1.00 63.14 C ATOM 345 CD2 LEU A 24 -5.509 2.577 -8.447 1.00 42.14 C ATOM 0 H LEU A 24 -5.308 4.511 -12.042 1.00 41.21 H new ATOM 0 HA LEU A 24 -7.080 2.475 -10.992 1.00 23.14 H new ATOM 0 HB2 LEU A 24 -5.630 4.631 -10.017 1.00 1.24 H new ATOM 0 HB3 LEU A 24 -7.306 5.116 -9.856 1.00 1.24 H new ATOM 0 HG LEU A 24 -6.853 4.100 -7.825 1.00 11.21 H new ATOM 0 HD11 LEU A 24 -8.094 1.977 -7.773 1.00 63.14 H new ATOM 0 HD12 LEU A 24 -8.909 3.205 -8.771 1.00 63.14 H new ATOM 0 HD13 LEU A 24 -8.003 1.885 -9.548 1.00 63.14 H new ATOM 0 HD21 LEU A 24 -5.619 1.994 -7.532 1.00 42.14 H new ATOM 0 HD22 LEU A 24 -5.367 1.903 -9.292 1.00 42.14 H new ATOM 0 HD23 LEU A 24 -4.644 3.234 -8.357 1.00 42.14 H new ATOM 357 N LEU A 25 -8.261 5.070 -12.598 1.00 45.25 N ATOM 358 CA LEU A 25 -9.449 5.598 -13.245 1.00 20.12 C ATOM 359 C LEU A 25 -9.915 4.618 -14.325 1.00 1.21 C ATOM 360 O LEU A 25 -11.106 4.533 -14.618 1.00 71.32 O ATOM 361 CB LEU A 25 -9.190 7.012 -13.768 1.00 24.42 C ATOM 362 CG LEU A 25 -10.266 7.594 -14.688 1.00 12.44 C ATOM 363 CD1 LEU A 25 -10.815 8.908 -14.127 1.00 73.25 C ATOM 364 CD2 LEU A 25 -9.738 7.757 -16.114 1.00 74.04 C ATOM 0 H LEU A 25 -7.413 5.617 -12.751 1.00 45.25 H new ATOM 0 HA LEU A 25 -10.264 5.693 -12.527 1.00 20.12 H new ATOM 0 HB2 LEU A 25 -9.071 7.678 -12.913 1.00 24.42 H new ATOM 0 HB3 LEU A 25 -8.242 7.011 -14.306 1.00 24.42 H new ATOM 0 HG LEU A 25 -11.097 6.889 -14.730 1.00 12.44 H new ATOM 0 HD11 LEU A 25 -11.578 9.300 -14.800 1.00 73.25 H new ATOM 0 HD12 LEU A 25 -11.254 8.729 -13.145 1.00 73.25 H new ATOM 0 HD13 LEU A 25 -10.005 9.631 -14.036 1.00 73.25 H new ATOM 0 HD21 LEU A 25 -10.522 8.172 -16.747 1.00 74.04 H new ATOM 0 HD22 LEU A 25 -8.881 8.430 -16.110 1.00 74.04 H new ATOM 0 HD23 LEU A 25 -9.434 6.785 -16.503 1.00 74.04 H new ATOM 376 N GLU A 26 -8.950 3.905 -14.887 1.00 12.24 N ATOM 377 CA GLU A 26 -9.246 2.935 -15.927 1.00 33.43 C ATOM 378 C GLU A 26 -10.242 1.893 -15.415 1.00 11.30 C ATOM 379 O GLU A 26 -11.183 1.530 -16.117 1.00 2.22 O ATOM 380 CB GLU A 26 -7.966 2.268 -16.436 1.00 41.44 C ATOM 381 CG GLU A 26 -8.290 1.045 -17.295 1.00 50.11 C ATOM 382 CD GLU A 26 -7.054 0.572 -18.063 1.00 54.23 C ATOM 383 OE1 GLU A 26 -6.247 1.401 -18.512 1.00 3.22 O ATOM 384 OE2 GLU A 26 -6.944 -0.708 -18.186 1.00 22.15 O ATOM 0 H GLU A 26 -7.963 3.980 -14.642 1.00 12.24 H new ATOM 0 HA GLU A 26 -9.701 3.460 -16.767 1.00 33.43 H new ATOM 0 HB2 GLU A 26 -7.386 2.983 -17.019 1.00 41.44 H new ATOM 0 HB3 GLU A 26 -7.346 1.969 -15.591 1.00 41.44 H new ATOM 0 HG2 GLU A 26 -8.660 0.239 -16.661 1.00 50.11 H new ATOM 0 HG3 GLU A 26 -9.087 1.290 -17.997 1.00 50.11 H new ATOM 392 N LEU A 27 -9.999 1.440 -14.193 1.00 54.42 N ATOM 393 CA LEU A 27 -10.861 0.447 -13.578 1.00 21.31 C ATOM 394 C LEU A 27 -12.277 1.014 -13.454 1.00 63.52 C ATOM 395 O LEU A 27 -13.256 0.276 -13.553 1.00 30.42 O ATOM 396 CB LEU A 27 -10.271 -0.027 -12.249 1.00 52.44 C ATOM 397 CG LEU A 27 -10.463 -1.509 -11.919 1.00 73.00 C ATOM 398 CD1 LEU A 27 -11.936 -1.826 -11.659 1.00 43.03 C ATOM 399 CD2 LEU A 27 -9.871 -2.395 -13.017 1.00 74.43 C ATOM 0 H LEU A 27 -9.217 1.743 -13.613 1.00 54.42 H new ATOM 0 HA LEU A 27 -10.926 -0.442 -14.206 1.00 21.31 H new ATOM 0 HB2 LEU A 27 -9.203 0.189 -12.251 1.00 52.44 H new ATOM 0 HB3 LEU A 27 -10.714 0.564 -11.447 1.00 52.44 H new ATOM 0 HG LEU A 27 -9.920 -1.728 -11.000 1.00 73.00 H new ATOM 0 HD11 LEU A 27 -12.045 -2.885 -11.427 1.00 43.03 H new ATOM 0 HD12 LEU A 27 -12.293 -1.232 -10.818 1.00 43.03 H new ATOM 0 HD13 LEU A 27 -12.522 -1.587 -12.547 1.00 43.03 H new ATOM 0 HD21 LEU A 27 -10.020 -3.443 -12.759 1.00 74.43 H new ATOM 0 HD22 LEU A 27 -10.366 -2.181 -13.964 1.00 74.43 H new ATOM 0 HD23 LEU A 27 -8.804 -2.193 -13.112 1.00 74.43 H new ATOM 411 N ASP A 28 -12.340 2.319 -13.238 1.00 30.44 N ATOM 412 CA ASP A 28 -13.620 2.994 -13.099 1.00 33.02 C ATOM 413 C ASP A 28 -14.463 2.741 -14.350 1.00 33.33 C ATOM 414 O ASP A 28 -15.578 2.229 -14.259 1.00 11.31 O ATOM 415 CB ASP A 28 -13.433 4.506 -12.954 1.00 60.12 C ATOM 416 CG ASP A 28 -14.286 5.161 -11.866 1.00 12.40 C ATOM 417 OD1 ASP A 28 -13.868 6.139 -11.229 1.00 1.13 O ATOM 418 OD2 ASP A 28 -15.441 4.618 -11.678 1.00 42.14 O ATOM 0 H ASP A 28 -11.526 2.928 -13.156 1.00 30.44 H new ATOM 0 HA ASP A 28 -14.112 2.604 -12.208 1.00 33.02 H new ATOM 0 HB2 ASP A 28 -12.383 4.709 -12.743 1.00 60.12 H new ATOM 0 HB3 ASP A 28 -13.663 4.979 -13.909 1.00 60.12 H new ATOM 424 N LYS A 29 -13.899 3.111 -15.491 1.00 12.32 N ATOM 425 CA LYS A 29 -14.585 2.931 -16.758 1.00 73.44 C ATOM 426 C LYS A 29 -14.804 1.436 -17.006 1.00 22.55 C ATOM 427 O LYS A 29 -15.818 1.042 -17.583 1.00 51.54 O ATOM 428 CB LYS A 29 -13.825 3.634 -17.885 1.00 1.34 C ATOM 429 CG LYS A 29 -13.326 2.628 -18.923 1.00 33.53 C ATOM 430 CD LYS A 29 -12.542 3.329 -20.034 1.00 74.32 C ATOM 431 CE LYS A 29 -11.315 2.510 -20.440 1.00 31.50 C ATOM 432 NZ LYS A 29 -11.722 1.319 -21.218 1.00 72.22 N ATOM 0 H LYS A 29 -12.974 3.535 -15.563 1.00 12.32 H new ATOM 0 HA LYS A 29 -15.569 3.399 -16.727 1.00 73.44 H new ATOM 0 HB2 LYS A 29 -14.475 4.365 -18.366 1.00 1.34 H new ATOM 0 HB3 LYS A 29 -12.980 4.183 -17.470 1.00 1.34 H new ATOM 0 HG2 LYS A 29 -12.692 1.885 -18.439 1.00 33.53 H new ATOM 0 HG3 LYS A 29 -14.173 2.093 -19.353 1.00 33.53 H new ATOM 0 HD2 LYS A 29 -13.187 3.479 -20.900 1.00 74.32 H new ATOM 0 HD3 LYS A 29 -12.229 4.317 -19.695 1.00 74.32 H new ATOM 0 HE2 LYS A 29 -10.639 3.126 -21.033 1.00 31.50 H new ATOM 0 HE3 LYS A 29 -10.766 2.201 -19.551 1.00 31.50 H new ATOM 0 HZ1 LYS A 29 -10.878 0.774 -21.486 1.00 72.22 H new ATOM 0 HZ2 LYS A 29 -12.349 0.724 -20.640 1.00 72.22 H new ATOM 0 HZ3 LYS A 29 -12.226 1.621 -22.076 1.00 72.22 H new ATOM 445 N TRP A 30 -13.841 0.646 -16.558 1.00 14.53 N ATOM 446 CA TRP A 30 -13.916 -0.795 -16.724 1.00 50.10 C ATOM 447 C TRP A 30 -15.191 -1.284 -16.034 1.00 41.03 C ATOM 448 O TRP A 30 -15.800 -2.261 -16.468 1.00 42.24 O ATOM 449 CB TRP A 30 -12.651 -1.475 -16.195 1.00 35.45 C ATOM 450 CG TRP A 30 -12.446 -2.898 -16.718 1.00 50.52 C ATOM 451 CD1 TRP A 30 -11.556 -3.323 -17.624 1.00 35.33 C ATOM 452 CD2 TRP A 30 -13.184 -4.074 -16.323 1.00 53.21 C ATOM 453 NE1 TRP A 30 -11.667 -4.681 -17.844 1.00 41.52 N ATOM 454 CE2 TRP A 30 -12.688 -5.152 -17.027 1.00 53.31 C ATOM 455 CE3 TRP A 30 -14.236 -4.221 -15.402 1.00 35.21 C ATOM 456 CZ2 TRP A 30 -13.183 -6.454 -16.885 1.00 12.51 C ATOM 457 CZ3 TRP A 30 -14.719 -5.529 -15.272 1.00 23.14 C ATOM 458 CH2 TRP A 30 -14.232 -6.624 -15.973 1.00 42.25 C ATOM 0 H TRP A 30 -13.003 0.977 -16.079 1.00 14.53 H new ATOM 0 HA TRP A 30 -13.968 -1.060 -17.780 1.00 50.10 H new ATOM 0 HB2 TRP A 30 -11.785 -0.871 -16.466 1.00 35.45 H new ATOM 0 HB3 TRP A 30 -12.693 -1.501 -15.106 1.00 35.45 H new ATOM 0 HD1 TRP A 30 -10.841 -2.683 -18.120 1.00 35.33 H new ATOM 0 HE1 TRP A 30 -11.104 -5.237 -18.488 1.00 41.52 H new ATOM 0 HE3 TRP A 30 -14.639 -3.392 -14.840 1.00 35.21 H new ATOM 0 HZ2 TRP A 30 -12.778 -7.282 -17.448 1.00 12.51 H new ATOM 0 HZ3 TRP A 30 -15.528 -5.698 -14.577 1.00 23.14 H new ATOM 0 HH2 TRP A 30 -14.660 -7.603 -15.816 1.00 42.25 H new ATOM 469 N ALA A 31 -15.557 -0.581 -14.972 1.00 62.53 N ATOM 470 CA ALA A 31 -16.749 -0.932 -14.218 1.00 14.50 C ATOM 471 C ALA A 31 -17.950 -0.983 -15.165 1.00 41.22 C ATOM 472 O ALA A 31 -18.904 -1.720 -14.922 1.00 34.54 O ATOM 473 CB ALA A 31 -16.945 0.071 -13.079 1.00 31.42 C ATOM 0 H ALA A 31 -15.050 0.229 -14.616 1.00 62.53 H new ATOM 0 HA ALA A 31 -16.643 -1.919 -13.768 1.00 14.50 H new ATOM 0 HB1 ALA A 31 -17.839 -0.191 -12.513 1.00 31.42 H new ATOM 0 HB2 ALA A 31 -16.078 0.047 -12.419 1.00 31.42 H new ATOM 0 HB3 ALA A 31 -17.058 1.073 -13.492 1.00 31.42 H new ATOM 479 N SER A 32 -17.862 -0.190 -16.222 1.00 20.43 N ATOM 480 CA SER A 32 -18.930 -0.135 -17.206 1.00 24.24 C ATOM 481 C SER A 32 -19.191 -1.531 -17.774 1.00 55.13 C ATOM 482 O SER A 32 -20.324 -1.863 -18.120 1.00 74.34 O ATOM 483 CB SER A 32 -18.590 0.842 -18.334 1.00 63.20 C ATOM 484 OG SER A 32 -17.699 0.268 -19.287 1.00 23.10 O ATOM 0 H SER A 32 -17.068 0.420 -16.419 1.00 20.43 H new ATOM 0 HA SER A 32 -19.833 0.223 -16.711 1.00 24.24 H new ATOM 0 HB2 SER A 32 -19.507 1.150 -18.835 1.00 63.20 H new ATOM 0 HB3 SER A 32 -18.140 1.741 -17.912 1.00 63.20 H new ATOM 0 HG SER A 32 -16.776 0.369 -18.974 1.00 23.10 H new ATOM 490 N LEU A 33 -18.124 -2.312 -17.852 1.00 75.14 N ATOM 491 CA LEU A 33 -18.223 -3.665 -18.373 1.00 42.44 C ATOM 492 C LEU A 33 -19.314 -4.421 -17.611 1.00 53.32 C ATOM 493 O LEU A 33 -19.841 -5.417 -18.102 1.00 20.40 O ATOM 494 CB LEU A 33 -16.857 -4.356 -18.335 1.00 1.25 C ATOM 495 CG LEU A 33 -16.538 -5.275 -19.514 1.00 35.34 C ATOM 496 CD1 LEU A 33 -15.064 -5.167 -19.911 1.00 50.12 C ATOM 497 CD2 LEU A 33 -16.945 -6.718 -19.210 1.00 33.33 C ATOM 0 H LEU A 33 -17.186 -2.034 -17.563 1.00 75.14 H new ATOM 0 HA LEU A 33 -18.518 -3.648 -19.422 1.00 42.44 H new ATOM 0 HB2 LEU A 33 -16.085 -3.588 -18.279 1.00 1.25 H new ATOM 0 HB3 LEU A 33 -16.793 -4.940 -17.417 1.00 1.25 H new ATOM 0 HG LEU A 33 -17.127 -4.948 -20.371 1.00 35.34 H new ATOM 0 HD11 LEU A 33 -14.864 -5.831 -20.752 1.00 50.12 H new ATOM 0 HD12 LEU A 33 -14.839 -4.140 -20.198 1.00 50.12 H new ATOM 0 HD13 LEU A 33 -14.438 -5.453 -19.066 1.00 50.12 H new ATOM 0 HD21 LEU A 33 -16.707 -7.351 -20.065 1.00 33.33 H new ATOM 0 HD22 LEU A 33 -16.402 -7.072 -18.334 1.00 33.33 H new ATOM 0 HD23 LEU A 33 -18.016 -6.760 -19.014 1.00 33.33 H new ATOM 509 N TRP A 34 -19.620 -3.917 -16.424 1.00 74.42 N ATOM 510 CA TRP A 34 -20.639 -4.533 -15.591 1.00 32.13 C ATOM 511 C TRP A 34 -21.959 -3.800 -15.840 1.00 72.15 C ATOM 512 O TRP A 34 -22.811 -3.731 -14.955 1.00 13.54 O ATOM 513 CB TRP A 34 -20.221 -4.527 -14.119 1.00 14.23 C ATOM 514 CG TRP A 34 -19.242 -5.641 -13.745 1.00 72.10 C ATOM 515 CD1 TRP A 34 -17.913 -5.665 -13.918 1.00 25.15 C ATOM 516 CD2 TRP A 34 -19.570 -6.902 -13.125 1.00 23.53 C ATOM 517 NE1 TRP A 34 -17.364 -6.844 -13.456 1.00 50.21 N ATOM 518 CE2 TRP A 34 -18.404 -7.620 -12.959 1.00 61.32 C ATOM 519 CE3 TRP A 34 -20.814 -7.419 -12.719 1.00 53.15 C ATOM 520 CZ2 TRP A 34 -18.364 -8.896 -12.383 1.00 31.22 C ATOM 521 CZ3 TRP A 34 -20.757 -8.695 -12.145 1.00 2.23 C ATOM 522 CH2 TRP A 34 -19.591 -9.431 -11.970 1.00 35.43 C ATOM 0 H TRP A 34 -19.181 -3.090 -16.020 1.00 74.42 H new ATOM 0 HA TRP A 34 -20.768 -5.583 -15.853 1.00 32.13 H new ATOM 0 HB2 TRP A 34 -19.766 -3.564 -13.885 1.00 14.23 H new ATOM 0 HB3 TRP A 34 -21.113 -4.618 -13.499 1.00 14.23 H new ATOM 0 HD1 TRP A 34 -17.343 -4.863 -14.363 1.00 25.15 H new ATOM 0 HE1 TRP A 34 -16.377 -7.099 -13.476 1.00 50.21 H new ATOM 0 HE3 TRP A 34 -21.739 -6.875 -12.840 1.00 53.15 H new ATOM 0 HZ2 TRP A 34 -17.438 -9.438 -12.264 1.00 31.22 H new ATOM 0 HZ3 TRP A 34 -21.685 -9.139 -11.815 1.00 2.23 H new ATOM 0 HH2 TRP A 34 -19.631 -10.411 -11.518 1.00 35.43 H new