USER MOD reduce.3.24.130724 H: found=0, std=0, add=264, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 263 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 1 ASN : amide:sc= -0.0565 K(o=-0.057,f=-2!) USER MOD Single : A 1 ASN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.306 X(o=-0.31,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 141:sc= -0.362 (180deg=-1.59!) USER MOD Single : A 14 GLN : amide:sc=-0.00362 X(o=-0.0036,f=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 17 THR OG1 : rot 70:sc= 0.947 USER MOD Single : A 18 SER OG : rot -61:sc= -0.514! USER MOD Single : A 24 GLN : amide:sc= -2.01! C(o=-2!,f=-12!) USER MOD Single : A 25 HIS : no HD1:sc= -0.298 X(o=-0.3,f=-0.057) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 39.016 -35.367 14.067 1.00 0.00 N ATOM 2 CA ASN A 1 39.176 -35.205 15.540 1.00 0.00 C ATOM 3 C ASN A 1 39.061 -36.571 16.217 1.00 0.00 C ATOM 4 O ASN A 1 38.088 -36.866 16.881 1.00 0.00 O ATOM 5 CB ASN A 1 38.081 -34.277 16.072 1.00 0.00 C ATOM 6 CG ASN A 1 38.359 -33.948 17.540 1.00 0.00 C ATOM 7 OD1 ASN A 1 39.429 -34.224 18.044 1.00 0.00 O ATOM 8 ND2 ASN A 1 37.434 -33.365 18.252 1.00 0.00 N ATOM 0 H1 ASN A 1 39.094 -34.438 13.605 1.00 0.00 H new ATOM 0 H2 ASN A 1 39.759 -35.998 13.704 1.00 0.00 H new ATOM 0 H3 ASN A 1 38.083 -35.778 13.862 1.00 0.00 H new ATOM 0 HA ASN A 1 40.154 -34.774 15.756 1.00 0.00 H new ATOM 0 HB2 ASN A 1 38.048 -33.361 15.483 1.00 0.00 H new ATOM 0 HB3 ASN A 1 37.106 -34.754 15.974 1.00 0.00 H new ATOM 0 HD21 ASN A 1 37.610 -33.141 19.232 1.00 0.00 H new ATOM 0 HD22 ASN A 1 36.535 -33.133 17.829 1.00 0.00 H new ATOM 17 N GLU A 2 40.050 -37.410 16.052 1.00 0.00 N ATOM 18 CA GLU A 2 40.004 -38.760 16.682 1.00 0.00 C ATOM 19 C GLU A 2 38.706 -39.469 16.285 1.00 0.00 C ATOM 20 O GLU A 2 38.671 -40.222 15.332 1.00 0.00 O ATOM 21 CB GLU A 2 40.074 -38.620 18.202 1.00 0.00 C ATOM 22 CG GLU A 2 40.112 -40.009 18.842 1.00 0.00 C ATOM 23 CD GLU A 2 40.322 -39.875 20.351 1.00 0.00 C ATOM 24 OE1 GLU A 2 40.761 -38.819 20.775 1.00 0.00 O ATOM 25 OE2 GLU A 2 40.039 -40.829 21.056 1.00 0.00 O ATOM 0 H GLU A 2 40.890 -37.216 15.506 1.00 0.00 H new ATOM 0 HA GLU A 2 40.854 -39.349 16.337 1.00 0.00 H new ATOM 0 HB2 GLU A 2 40.961 -38.053 18.485 1.00 0.00 H new ATOM 0 HB3 GLU A 2 39.211 -38.064 18.567 1.00 0.00 H new ATOM 0 HG2 GLU A 2 39.181 -40.539 18.640 1.00 0.00 H new ATOM 0 HG3 GLU A 2 40.916 -40.600 18.404 1.00 0.00 H new ATOM 32 N LEU A 3 37.637 -39.238 17.000 1.00 0.00 N ATOM 33 CA LEU A 3 36.354 -39.907 16.639 1.00 0.00 C ATOM 34 C LEU A 3 36.075 -39.672 15.152 1.00 0.00 C ATOM 35 O LEU A 3 36.700 -38.847 14.517 1.00 0.00 O ATOM 36 CB LEU A 3 35.183 -39.329 17.457 1.00 0.00 C ATOM 37 CG LEU A 3 35.388 -39.499 18.983 1.00 0.00 C ATOM 38 CD1 LEU A 3 35.871 -40.919 19.309 1.00 0.00 C ATOM 39 CD2 LEU A 3 36.398 -38.467 19.540 1.00 0.00 C ATOM 0 H LEU A 3 37.596 -38.621 17.811 1.00 0.00 H new ATOM 0 HA LEU A 3 36.443 -40.972 16.855 1.00 0.00 H new ATOM 0 HB2 LEU A 3 35.068 -38.270 17.224 1.00 0.00 H new ATOM 0 HB3 LEU A 3 34.258 -39.823 17.160 1.00 0.00 H new ATOM 0 HG LEU A 3 34.423 -39.327 19.460 1.00 0.00 H new ATOM 0 HD11 LEU A 3 36.009 -41.018 20.386 1.00 0.00 H new ATOM 0 HD12 LEU A 3 35.129 -41.642 18.970 1.00 0.00 H new ATOM 0 HD13 LEU A 3 36.818 -41.106 18.803 1.00 0.00 H new ATOM 0 HD21 LEU A 3 36.517 -38.617 20.613 1.00 0.00 H new ATOM 0 HD22 LEU A 3 37.361 -38.598 19.047 1.00 0.00 H new ATOM 0 HD23 LEU A 3 36.029 -37.459 19.353 1.00 0.00 H new ATOM 51 N ASP A 4 35.138 -40.391 14.593 1.00 0.00 N ATOM 52 CA ASP A 4 34.819 -40.210 13.148 1.00 0.00 C ATOM 53 C ASP A 4 33.400 -40.710 12.870 1.00 0.00 C ATOM 54 O ASP A 4 33.203 -41.661 12.140 1.00 0.00 O ATOM 55 CB ASP A 4 35.812 -41.011 12.302 1.00 0.00 C ATOM 56 CG ASP A 4 37.232 -40.501 12.555 1.00 0.00 C ATOM 57 OD1 ASP A 4 37.493 -39.354 12.232 1.00 0.00 O ATOM 58 OD2 ASP A 4 38.033 -41.265 13.066 1.00 0.00 O ATOM 0 H ASP A 4 34.580 -41.096 15.075 1.00 0.00 H new ATOM 0 HA ASP A 4 34.890 -39.153 12.892 1.00 0.00 H new ATOM 0 HB2 ASP A 4 35.746 -42.070 12.551 1.00 0.00 H new ATOM 0 HB3 ASP A 4 35.564 -40.916 11.245 1.00 0.00 H new ATOM 63 N VAL A 5 32.408 -40.074 13.450 1.00 0.00 N ATOM 64 CA VAL A 5 30.988 -40.496 13.233 1.00 0.00 C ATOM 65 C VAL A 5 30.184 -39.281 12.731 1.00 0.00 C ATOM 66 O VAL A 5 30.519 -38.152 13.030 1.00 0.00 O ATOM 67 CB VAL A 5 30.405 -40.993 14.572 1.00 0.00 C ATOM 68 CG1 VAL A 5 30.650 -42.497 14.730 1.00 0.00 C ATOM 69 CG2 VAL A 5 31.079 -40.252 15.732 1.00 0.00 C ATOM 0 H VAL A 5 32.524 -39.273 14.070 1.00 0.00 H new ATOM 0 HA VAL A 5 30.936 -41.298 12.497 1.00 0.00 H new ATOM 0 HB VAL A 5 29.332 -40.800 14.581 1.00 0.00 H new ATOM 0 HG11 VAL A 5 30.234 -42.836 15.679 1.00 0.00 H new ATOM 0 HG12 VAL A 5 30.169 -43.032 13.911 1.00 0.00 H new ATOM 0 HG13 VAL A 5 31.722 -42.695 14.713 1.00 0.00 H new ATOM 0 HG21 VAL A 5 30.666 -40.604 16.677 1.00 0.00 H new ATOM 0 HG22 VAL A 5 32.152 -40.443 15.711 1.00 0.00 H new ATOM 0 HG23 VAL A 5 30.899 -39.182 15.634 1.00 0.00 H new ATOM 79 N PRO A 6 29.131 -39.504 11.974 1.00 0.00 N ATOM 80 CA PRO A 6 28.286 -38.393 11.438 1.00 0.00 C ATOM 81 C PRO A 6 27.444 -37.725 12.537 1.00 0.00 C ATOM 82 O PRO A 6 26.352 -37.252 12.289 1.00 0.00 O ATOM 83 CB PRO A 6 27.383 -39.087 10.404 1.00 0.00 C ATOM 84 CG PRO A 6 27.299 -40.510 10.858 1.00 0.00 C ATOM 85 CD PRO A 6 28.633 -40.824 11.542 1.00 0.00 C ATOM 0 HA PRO A 6 28.888 -37.590 11.014 1.00 0.00 H new ATOM 0 HB2 PRO A 6 26.396 -38.625 10.368 1.00 0.00 H new ATOM 0 HB3 PRO A 6 27.804 -39.017 9.401 1.00 0.00 H new ATOM 0 HG2 PRO A 6 26.466 -40.649 11.548 1.00 0.00 H new ATOM 0 HG3 PRO A 6 27.129 -41.178 10.014 1.00 0.00 H new ATOM 0 HD2 PRO A 6 28.499 -41.497 12.389 1.00 0.00 H new ATOM 0 HD3 PRO A 6 29.329 -41.309 10.857 1.00 0.00 H new ATOM 93 N GLU A 7 27.944 -37.666 13.741 1.00 0.00 N ATOM 94 CA GLU A 7 27.167 -37.014 14.829 1.00 0.00 C ATOM 95 C GLU A 7 26.977 -35.541 14.469 1.00 0.00 C ATOM 96 O GLU A 7 26.002 -34.917 14.828 1.00 0.00 O ATOM 97 CB GLU A 7 27.929 -37.131 16.151 1.00 0.00 C ATOM 98 CG GLU A 7 29.365 -36.639 15.958 1.00 0.00 C ATOM 99 CD GLU A 7 30.110 -36.710 17.293 1.00 0.00 C ATOM 100 OE1 GLU A 7 30.529 -37.796 17.657 1.00 0.00 O ATOM 101 OE2 GLU A 7 30.247 -35.678 17.928 1.00 0.00 O ATOM 0 H GLU A 7 28.852 -38.039 14.016 1.00 0.00 H new ATOM 0 HA GLU A 7 26.198 -37.500 14.941 1.00 0.00 H new ATOM 0 HB2 GLU A 7 27.432 -36.543 16.922 1.00 0.00 H new ATOM 0 HB3 GLU A 7 27.931 -38.166 16.492 1.00 0.00 H new ATOM 0 HG2 GLU A 7 29.873 -37.250 15.212 1.00 0.00 H new ATOM 0 HG3 GLU A 7 29.363 -35.615 15.584 1.00 0.00 H new ATOM 108 N GLN A 8 27.918 -34.992 13.757 1.00 0.00 N ATOM 109 CA GLN A 8 27.821 -33.568 13.355 1.00 0.00 C ATOM 110 C GLN A 8 26.812 -33.431 12.211 1.00 0.00 C ATOM 111 O GLN A 8 25.824 -32.733 12.318 1.00 0.00 O ATOM 112 CB GLN A 8 29.198 -33.079 12.906 1.00 0.00 C ATOM 113 CG GLN A 8 30.275 -33.687 13.808 1.00 0.00 C ATOM 114 CD GLN A 8 31.630 -33.059 13.480 1.00 0.00 C ATOM 115 OE1 GLN A 8 32.411 -32.776 14.368 1.00 0.00 O ATOM 116 NE2 GLN A 8 31.948 -32.829 12.235 1.00 0.00 N ATOM 0 H GLN A 8 28.757 -35.475 13.435 1.00 0.00 H new ATOM 0 HA GLN A 8 27.484 -32.964 14.198 1.00 0.00 H new ATOM 0 HB2 GLN A 8 29.376 -33.362 11.868 1.00 0.00 H new ATOM 0 HB3 GLN A 8 29.242 -31.991 12.952 1.00 0.00 H new ATOM 0 HG2 GLN A 8 30.027 -33.515 14.855 1.00 0.00 H new ATOM 0 HG3 GLN A 8 30.318 -34.767 13.664 1.00 0.00 H new ATOM 0 HE21 GLN A 8 31.294 -33.066 11.489 1.00 0.00 H new ATOM 0 HE22 GLN A 8 32.851 -32.412 12.008 1.00 0.00 H new ATOM 125 N VAL A 9 27.060 -34.092 11.116 1.00 0.00 N ATOM 126 CA VAL A 9 26.129 -34.007 9.956 1.00 0.00 C ATOM 127 C VAL A 9 24.689 -34.222 10.429 1.00 0.00 C ATOM 128 O VAL A 9 23.746 -33.918 9.725 1.00 0.00 O ATOM 129 CB VAL A 9 26.507 -35.086 8.936 1.00 0.00 C ATOM 130 CG1 VAL A 9 25.438 -35.176 7.845 1.00 0.00 C ATOM 131 CG2 VAL A 9 27.852 -34.728 8.300 1.00 0.00 C ATOM 0 H VAL A 9 27.873 -34.692 10.973 1.00 0.00 H new ATOM 0 HA VAL A 9 26.204 -33.022 9.495 1.00 0.00 H new ATOM 0 HB VAL A 9 26.580 -36.048 9.443 1.00 0.00 H new ATOM 0 HG11 VAL A 9 25.717 -35.946 7.125 1.00 0.00 H new ATOM 0 HG12 VAL A 9 24.479 -35.431 8.296 1.00 0.00 H new ATOM 0 HG13 VAL A 9 25.356 -34.216 7.336 1.00 0.00 H new ATOM 0 HG21 VAL A 9 28.126 -35.493 7.573 1.00 0.00 H new ATOM 0 HG22 VAL A 9 27.772 -33.763 7.799 1.00 0.00 H new ATOM 0 HG23 VAL A 9 28.617 -34.673 9.074 1.00 0.00 H new ATOM 141 N ASP A 10 24.506 -34.740 11.612 1.00 0.00 N ATOM 142 CA ASP A 10 23.117 -34.961 12.109 1.00 0.00 C ATOM 143 C ASP A 10 22.487 -33.612 12.462 1.00 0.00 C ATOM 144 O ASP A 10 21.486 -33.224 11.895 1.00 0.00 O ATOM 145 CB ASP A 10 23.139 -35.860 13.348 1.00 0.00 C ATOM 146 CG ASP A 10 23.453 -37.297 12.929 1.00 0.00 C ATOM 147 OD1 ASP A 10 22.752 -37.810 12.072 1.00 0.00 O ATOM 148 OD2 ASP A 10 24.389 -37.861 13.472 1.00 0.00 O ATOM 0 H ASP A 10 25.250 -35.018 12.252 1.00 0.00 H new ATOM 0 HA ASP A 10 22.529 -35.448 11.331 1.00 0.00 H new ATOM 0 HB2 ASP A 10 23.888 -35.504 14.056 1.00 0.00 H new ATOM 0 HB3 ASP A 10 22.176 -35.820 13.857 1.00 0.00 H new ATOM 153 N LYS A 11 23.062 -32.907 13.409 1.00 0.00 N ATOM 154 CA LYS A 11 22.503 -31.579 13.825 1.00 0.00 C ATOM 155 C LYS A 11 21.992 -30.814 12.595 1.00 0.00 C ATOM 156 O LYS A 11 21.009 -30.105 12.664 1.00 0.00 O ATOM 157 CB LYS A 11 23.588 -30.746 14.533 1.00 0.00 C ATOM 158 CG LYS A 11 23.839 -31.265 15.977 1.00 0.00 C ATOM 159 CD LYS A 11 25.056 -32.213 16.008 1.00 0.00 C ATOM 160 CE LYS A 11 26.354 -31.410 16.175 1.00 0.00 C ATOM 161 NZ LYS A 11 26.261 -30.543 17.385 1.00 0.00 N ATOM 0 H LYS A 11 23.899 -33.196 13.915 1.00 0.00 H new ATOM 0 HA LYS A 11 21.675 -31.750 14.513 1.00 0.00 H new ATOM 0 HB2 LYS A 11 24.515 -30.790 13.961 1.00 0.00 H new ATOM 0 HB3 LYS A 11 23.283 -29.700 14.567 1.00 0.00 H new ATOM 0 HG2 LYS A 11 24.010 -30.423 16.648 1.00 0.00 H new ATOM 0 HG3 LYS A 11 22.954 -31.788 16.341 1.00 0.00 H new ATOM 0 HD2 LYS A 11 24.952 -32.923 16.829 1.00 0.00 H new ATOM 0 HD3 LYS A 11 25.096 -32.794 15.087 1.00 0.00 H new ATOM 0 HE2 LYS A 11 27.202 -32.088 16.267 1.00 0.00 H new ATOM 0 HE3 LYS A 11 26.530 -30.798 15.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 27.178 -30.532 17.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 26.009 -29.575 17.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 25.531 -30.917 18.025 1.00 0.00 H new ATOM 175 N LEU A 12 22.627 -30.972 11.466 1.00 0.00 N ATOM 176 CA LEU A 12 22.142 -30.271 10.249 1.00 0.00 C ATOM 177 C LEU A 12 20.745 -30.800 9.916 1.00 0.00 C ATOM 178 O LEU A 12 19.805 -30.045 9.766 1.00 0.00 O ATOM 179 CB LEU A 12 23.115 -30.517 9.076 1.00 0.00 C ATOM 180 CG LEU A 12 24.196 -29.412 9.008 1.00 0.00 C ATOM 181 CD1 LEU A 12 23.616 -28.130 8.383 1.00 0.00 C ATOM 182 CD2 LEU A 12 24.741 -29.096 10.415 1.00 0.00 C ATOM 0 H LEU A 12 23.455 -31.553 11.336 1.00 0.00 H new ATOM 0 HA LEU A 12 22.094 -29.196 10.423 1.00 0.00 H new ATOM 0 HB2 LEU A 12 23.592 -31.490 9.193 1.00 0.00 H new ATOM 0 HB3 LEU A 12 22.560 -30.545 8.139 1.00 0.00 H new ATOM 0 HG LEU A 12 25.012 -29.778 8.385 1.00 0.00 H new ATOM 0 HD11 LEU A 12 24.389 -27.363 8.343 1.00 0.00 H new ATOM 0 HD12 LEU A 12 23.264 -28.344 7.374 1.00 0.00 H new ATOM 0 HD13 LEU A 12 22.783 -27.774 8.990 1.00 0.00 H new ATOM 0 HD21 LEU A 12 25.500 -28.317 10.345 1.00 0.00 H new ATOM 0 HD22 LEU A 12 23.926 -28.753 11.052 1.00 0.00 H new ATOM 0 HD23 LEU A 12 25.183 -29.995 10.844 1.00 0.00 H new ATOM 194 N ILE A 13 20.595 -32.093 9.821 1.00 0.00 N ATOM 195 CA ILE A 13 19.252 -32.657 9.523 1.00 0.00 C ATOM 196 C ILE A 13 18.250 -32.034 10.495 1.00 0.00 C ATOM 197 O ILE A 13 17.200 -31.561 10.108 1.00 0.00 O ATOM 198 CB ILE A 13 19.281 -34.178 9.707 1.00 0.00 C ATOM 199 CG1 ILE A 13 20.145 -34.802 8.610 1.00 0.00 C ATOM 200 CG2 ILE A 13 17.858 -34.736 9.615 1.00 0.00 C ATOM 201 CD1 ILE A 13 20.415 -36.269 8.947 1.00 0.00 C ATOM 0 H ILE A 13 21.341 -32.779 9.936 1.00 0.00 H new ATOM 0 HA ILE A 13 18.965 -32.436 8.495 1.00 0.00 H new ATOM 0 HB ILE A 13 19.699 -34.418 10.685 1.00 0.00 H new ATOM 0 HG12 ILE A 13 19.640 -34.726 7.647 1.00 0.00 H new ATOM 0 HG13 ILE A 13 21.086 -34.259 8.520 1.00 0.00 H new ATOM 0 HG21 ILE A 13 17.882 -35.818 9.746 1.00 0.00 H new ATOM 0 HG22 ILE A 13 17.241 -34.290 10.395 1.00 0.00 H new ATOM 0 HG23 ILE A 13 17.436 -34.498 8.638 1.00 0.00 H new ATOM 0 HD11 ILE A 13 21.031 -36.714 8.166 1.00 0.00 H new ATOM 0 HD12 ILE A 13 20.938 -36.333 9.901 1.00 0.00 H new ATOM 0 HD13 ILE A 13 19.469 -36.807 9.015 1.00 0.00 H new ATOM 213 N GLN A 14 18.583 -32.020 11.756 1.00 0.00 N ATOM 214 CA GLN A 14 17.675 -31.418 12.768 1.00 0.00 C ATOM 215 C GLN A 14 17.465 -29.938 12.435 1.00 0.00 C ATOM 216 O GLN A 14 16.352 -29.451 12.394 1.00 0.00 O ATOM 217 CB GLN A 14 18.311 -31.553 14.151 1.00 0.00 C ATOM 218 CG GLN A 14 18.172 -32.998 14.639 1.00 0.00 C ATOM 219 CD GLN A 14 18.793 -33.132 16.030 1.00 0.00 C ATOM 220 OE1 GLN A 14 19.679 -33.938 16.238 1.00 0.00 O ATOM 221 NE2 GLN A 14 18.365 -32.370 16.999 1.00 0.00 N ATOM 0 H GLN A 14 19.451 -32.403 12.130 1.00 0.00 H new ATOM 0 HA GLN A 14 16.713 -31.930 12.760 1.00 0.00 H new ATOM 0 HB2 GLN A 14 19.363 -31.272 14.108 1.00 0.00 H new ATOM 0 HB3 GLN A 14 17.828 -30.873 14.853 1.00 0.00 H new ATOM 0 HG2 GLN A 14 17.120 -33.282 14.670 1.00 0.00 H new ATOM 0 HG3 GLN A 14 18.665 -33.677 13.943 1.00 0.00 H new ATOM 0 HE21 GLN A 14 17.622 -31.693 16.825 1.00 0.00 H new ATOM 0 HE22 GLN A 14 18.774 -32.451 17.930 1.00 0.00 H new ATOM 230 N GLN A 15 18.529 -29.219 12.189 1.00 0.00 N ATOM 231 CA GLN A 15 18.394 -27.771 11.852 1.00 0.00 C ATOM 232 C GLN A 15 17.581 -27.626 10.563 1.00 0.00 C ATOM 233 O GLN A 15 16.534 -27.011 10.543 1.00 0.00 O ATOM 234 CB GLN A 15 19.781 -27.155 11.646 1.00 0.00 C ATOM 235 CG GLN A 15 20.471 -26.955 12.998 1.00 0.00 C ATOM 236 CD GLN A 15 21.753 -26.145 12.799 1.00 0.00 C ATOM 237 OE1 GLN A 15 22.787 -26.691 12.471 1.00 0.00 O ATOM 238 NE2 GLN A 15 21.729 -24.853 12.987 1.00 0.00 N ATOM 0 H GLN A 15 19.486 -29.572 12.207 1.00 0.00 H new ATOM 0 HA GLN A 15 17.888 -27.256 12.669 1.00 0.00 H new ATOM 0 HB2 GLN A 15 20.386 -27.804 11.012 1.00 0.00 H new ATOM 0 HB3 GLN A 15 19.691 -26.199 11.130 1.00 0.00 H new ATOM 0 HG2 GLN A 15 19.803 -26.437 13.686 1.00 0.00 H new ATOM 0 HG3 GLN A 15 20.704 -27.921 13.446 1.00 0.00 H new ATOM 0 HE21 GLN A 15 20.861 -24.394 13.262 1.00 0.00 H new ATOM 0 HE22 GLN A 15 22.578 -24.303 12.858 1.00 0.00 H new ATOM 247 N ALA A 16 18.052 -28.190 9.483 1.00 0.00 N ATOM 248 CA ALA A 16 17.299 -28.081 8.203 1.00 0.00 C ATOM 249 C ALA A 16 15.890 -28.640 8.407 1.00 0.00 C ATOM 250 O ALA A 16 14.929 -28.146 7.856 1.00 0.00 O ATOM 251 CB ALA A 16 18.016 -28.877 7.116 1.00 0.00 C ATOM 0 H ALA A 16 18.922 -28.719 9.433 1.00 0.00 H new ATOM 0 HA ALA A 16 17.240 -27.036 7.898 1.00 0.00 H new ATOM 0 HB1 ALA A 16 17.463 -28.795 6.180 1.00 0.00 H new ATOM 0 HB2 ALA A 16 19.022 -28.481 6.978 1.00 0.00 H new ATOM 0 HB3 ALA A 16 18.076 -29.924 7.412 1.00 0.00 H new ATOM 257 N THR A 17 15.760 -29.648 9.224 1.00 0.00 N ATOM 258 CA THR A 17 14.408 -30.212 9.489 1.00 0.00 C ATOM 259 C THR A 17 13.624 -29.162 10.266 1.00 0.00 C ATOM 260 O THR A 17 12.528 -28.787 9.906 1.00 0.00 O ATOM 261 CB THR A 17 14.520 -31.487 10.329 1.00 0.00 C ATOM 262 OG1 THR A 17 15.098 -32.520 9.544 1.00 0.00 O ATOM 263 CG2 THR A 17 13.128 -31.917 10.802 1.00 0.00 C ATOM 0 H THR A 17 16.528 -30.104 9.717 1.00 0.00 H new ATOM 0 HA THR A 17 13.911 -30.462 8.552 1.00 0.00 H new ATOM 0 HB THR A 17 15.150 -31.295 11.197 1.00 0.00 H new ATOM 0 HG1 THR A 17 16.041 -32.314 9.375 1.00 0.00 H new ATOM 0 HG21 THR A 17 13.211 -32.825 11.400 1.00 0.00 H new ATOM 0 HG22 THR A 17 12.688 -31.124 11.406 1.00 0.00 H new ATOM 0 HG23 THR A 17 12.493 -32.109 9.937 1.00 0.00 H new ATOM 271 N SER A 18 14.193 -28.688 11.338 1.00 0.00 N ATOM 272 CA SER A 18 13.509 -27.657 12.160 1.00 0.00 C ATOM 273 C SER A 18 12.922 -26.577 11.238 1.00 0.00 C ATOM 274 O SER A 18 11.731 -26.541 11.002 1.00 0.00 O ATOM 275 CB SER A 18 14.526 -27.043 13.127 1.00 0.00 C ATOM 276 OG SER A 18 15.382 -26.161 12.417 1.00 0.00 O ATOM 0 H SER A 18 15.110 -28.974 11.681 1.00 0.00 H new ATOM 0 HA SER A 18 12.696 -28.105 12.732 1.00 0.00 H new ATOM 0 HB2 SER A 18 14.009 -26.504 13.921 1.00 0.00 H new ATOM 0 HB3 SER A 18 15.111 -27.829 13.604 1.00 0.00 H new ATOM 0 HG SER A 18 15.868 -26.661 11.728 1.00 0.00 H new ATOM 282 N ILE A 19 13.739 -25.700 10.713 1.00 0.00 N ATOM 283 CA ILE A 19 13.241 -24.619 9.809 1.00 0.00 C ATOM 284 C ILE A 19 12.130 -25.121 8.868 1.00 0.00 C ATOM 285 O ILE A 19 11.107 -24.483 8.723 1.00 0.00 O ATOM 286 CB ILE A 19 14.462 -24.104 8.999 1.00 0.00 C ATOM 287 CG1 ILE A 19 15.210 -23.036 9.807 1.00 0.00 C ATOM 288 CG2 ILE A 19 14.036 -23.482 7.661 1.00 0.00 C ATOM 289 CD1 ILE A 19 15.828 -23.658 11.058 1.00 0.00 C ATOM 0 H ILE A 19 14.746 -25.687 10.875 1.00 0.00 H new ATOM 0 HA ILE A 19 12.796 -23.817 10.399 1.00 0.00 H new ATOM 0 HB ILE A 19 15.104 -24.962 8.802 1.00 0.00 H new ATOM 0 HG12 ILE A 19 15.990 -22.585 9.193 1.00 0.00 H new ATOM 0 HG13 ILE A 19 14.525 -22.237 10.090 1.00 0.00 H new ATOM 0 HG21 ILE A 19 14.918 -23.134 7.124 1.00 0.00 H new ATOM 0 HG22 ILE A 19 13.518 -24.230 7.061 1.00 0.00 H new ATOM 0 HG23 ILE A 19 13.369 -22.640 7.847 1.00 0.00 H new ATOM 0 HD11 ILE A 19 16.356 -22.890 11.623 1.00 0.00 H new ATOM 0 HD12 ILE A 19 15.041 -24.088 11.678 1.00 0.00 H new ATOM 0 HD13 ILE A 19 16.529 -24.441 10.767 1.00 0.00 H new ATOM 301 N GLU A 20 12.320 -26.228 8.209 1.00 0.00 N ATOM 302 CA GLU A 20 11.264 -26.709 7.268 1.00 0.00 C ATOM 303 C GLU A 20 9.887 -26.675 7.946 1.00 0.00 C ATOM 304 O GLU A 20 8.973 -26.036 7.467 1.00 0.00 O ATOM 305 CB GLU A 20 11.585 -28.141 6.813 1.00 0.00 C ATOM 306 CG GLU A 20 12.647 -28.108 5.711 1.00 0.00 C ATOM 307 CD GLU A 20 13.033 -29.539 5.329 1.00 0.00 C ATOM 308 OE1 GLU A 20 12.185 -30.410 5.439 1.00 0.00 O ATOM 309 OE2 GLU A 20 14.169 -29.740 4.935 1.00 0.00 O ATOM 0 H GLU A 20 13.150 -26.817 8.277 1.00 0.00 H new ATOM 0 HA GLU A 20 11.243 -26.051 6.400 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.942 -28.730 7.658 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.681 -28.627 6.446 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.264 -27.578 4.839 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.526 -27.563 6.055 1.00 0.00 H new ATOM 316 N ARG A 21 9.722 -27.365 9.040 1.00 0.00 N ATOM 317 CA ARG A 21 8.394 -27.382 9.718 1.00 0.00 C ATOM 318 C ARG A 21 8.186 -26.107 10.548 1.00 0.00 C ATOM 319 O ARG A 21 7.072 -25.735 10.855 1.00 0.00 O ATOM 320 CB ARG A 21 8.320 -28.597 10.646 1.00 0.00 C ATOM 321 CG ARG A 21 8.636 -29.874 9.857 1.00 0.00 C ATOM 322 CD ARG A 21 7.562 -30.126 8.782 1.00 0.00 C ATOM 323 NE ARG A 21 7.997 -29.505 7.492 1.00 0.00 N ATOM 324 CZ ARG A 21 8.539 -30.238 6.552 1.00 0.00 C ATOM 325 NH1 ARG A 21 7.908 -30.424 5.426 1.00 0.00 N ATOM 326 NH2 ARG A 21 9.707 -30.789 6.744 1.00 0.00 N ATOM 0 H ARG A 21 10.449 -27.918 9.495 1.00 0.00 H new ATOM 0 HA ARG A 21 7.616 -27.435 8.956 1.00 0.00 H new ATOM 0 HB2 ARG A 21 9.027 -28.482 11.468 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.326 -28.668 11.088 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.615 -29.785 9.387 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.685 -30.725 10.536 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.408 -31.197 8.649 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.608 -29.704 9.099 1.00 0.00 H new ATOM 0 HE ARG A 21 7.870 -28.504 7.344 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.993 -29.999 5.278 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.330 -30.995 4.693 1.00 0.00 H new ATOM 0 HH21 ARG A 21 10.198 -30.649 7.627 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.128 -31.360 6.011 1.00 0.00 H new ATOM 340 N LEU A 22 9.245 -25.455 10.938 1.00 0.00 N ATOM 341 CA LEU A 22 9.108 -24.225 11.777 1.00 0.00 C ATOM 342 C LEU A 22 8.889 -22.980 10.900 1.00 0.00 C ATOM 343 O LEU A 22 8.203 -22.058 11.287 1.00 0.00 O ATOM 344 CB LEU A 22 10.399 -24.054 12.601 1.00 0.00 C ATOM 345 CG LEU A 22 10.304 -24.813 13.936 1.00 0.00 C ATOM 346 CD1 LEU A 22 10.028 -26.296 13.685 1.00 0.00 C ATOM 347 CD2 LEU A 22 11.631 -24.674 14.689 1.00 0.00 C ATOM 0 H LEU A 22 10.204 -25.719 10.713 1.00 0.00 H new ATOM 0 HA LEU A 22 8.244 -24.332 12.432 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.251 -24.421 12.029 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.576 -22.995 12.792 1.00 0.00 H new ATOM 0 HG LEU A 22 9.489 -24.392 14.525 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.963 -26.820 14.638 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.087 -26.405 13.146 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.837 -26.721 13.091 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.570 -25.210 15.636 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.437 -25.093 14.086 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.832 -23.620 14.881 1.00 0.00 H new ATOM 359 N CYS A 23 9.497 -22.931 9.746 1.00 0.00 N ATOM 360 CA CYS A 23 9.356 -21.725 8.873 1.00 0.00 C ATOM 361 C CYS A 23 8.251 -21.909 7.827 1.00 0.00 C ATOM 362 O CYS A 23 7.808 -20.952 7.224 1.00 0.00 O ATOM 363 CB CYS A 23 10.680 -21.481 8.163 1.00 0.00 C ATOM 364 SG CYS A 23 11.943 -21.016 9.378 1.00 0.00 S ATOM 0 H CYS A 23 10.086 -23.673 9.368 1.00 0.00 H new ATOM 0 HA CYS A 23 9.086 -20.875 9.500 1.00 0.00 H new ATOM 0 HB2 CYS A 23 10.989 -22.379 7.628 1.00 0.00 H new ATOM 0 HB3 CYS A 23 10.566 -20.691 7.421 1.00 0.00 H new ATOM 369 N GLN A 24 7.794 -23.109 7.590 1.00 0.00 N ATOM 370 CA GLN A 24 6.725 -23.295 6.569 1.00 0.00 C ATOM 371 C GLN A 24 5.381 -22.846 7.145 1.00 0.00 C ATOM 372 O GLN A 24 4.430 -22.619 6.422 1.00 0.00 O ATOM 373 CB GLN A 24 6.649 -24.776 6.179 1.00 0.00 C ATOM 374 CG GLN A 24 7.767 -25.111 5.188 1.00 0.00 C ATOM 375 CD GLN A 24 7.886 -26.629 5.047 1.00 0.00 C ATOM 376 OE1 GLN A 24 7.670 -27.358 5.994 1.00 0.00 O ATOM 377 NE2 GLN A 24 8.224 -27.140 3.895 1.00 0.00 N ATOM 0 H GLN A 24 8.111 -23.960 8.054 1.00 0.00 H new ATOM 0 HA GLN A 24 6.955 -22.697 5.687 1.00 0.00 H new ATOM 0 HB2 GLN A 24 6.740 -25.400 7.068 1.00 0.00 H new ATOM 0 HB3 GLN A 24 5.678 -24.995 5.734 1.00 0.00 H new ATOM 0 HG2 GLN A 24 7.555 -24.661 4.218 1.00 0.00 H new ATOM 0 HG3 GLN A 24 8.712 -24.692 5.534 1.00 0.00 H new ATOM 0 HE21 GLN A 24 8.406 -26.528 3.099 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.307 -28.151 3.790 1.00 0.00 H new ATOM 386 N HIS A 25 5.290 -22.720 8.439 1.00 0.00 N ATOM 387 CA HIS A 25 4.004 -22.293 9.057 1.00 0.00 C ATOM 388 C HIS A 25 3.857 -20.774 8.952 1.00 0.00 C ATOM 389 O HIS A 25 2.775 -20.259 8.756 1.00 0.00 O ATOM 390 CB HIS A 25 3.989 -22.701 10.532 1.00 0.00 C ATOM 391 CG HIS A 25 3.919 -24.199 10.637 1.00 0.00 C ATOM 392 ND1 HIS A 25 3.636 -24.843 11.831 1.00 0.00 N ATOM 393 CD2 HIS A 25 4.093 -25.194 9.706 1.00 0.00 C ATOM 394 CE1 HIS A 25 3.646 -26.167 11.591 1.00 0.00 C ATOM 395 NE2 HIS A 25 3.920 -26.436 10.312 1.00 0.00 N ATOM 0 H HIS A 25 6.051 -22.894 9.096 1.00 0.00 H new ATOM 0 HA HIS A 25 3.177 -22.773 8.533 1.00 0.00 H new ATOM 0 HB2 HIS A 25 4.885 -22.332 11.031 1.00 0.00 H new ATOM 0 HB3 HIS A 25 3.134 -22.250 11.036 1.00 0.00 H new ATOM 0 HD2 HIS A 25 4.328 -25.037 8.664 1.00 0.00 H new ATOM 0 HE1 HIS A 25 3.456 -26.920 12.341 1.00 0.00 H new ATOM 0 HE2 HIS A 25 3.988 -27.354 9.873 1.00 0.00 H new ATOM 403 N TYR A 26 4.935 -20.053 9.105 1.00 0.00 N ATOM 404 CA TYR A 26 4.873 -18.567 9.043 1.00 0.00 C ATOM 405 C TYR A 26 5.362 -18.053 7.685 1.00 0.00 C ATOM 406 O TYR A 26 5.177 -18.666 6.652 1.00 0.00 O ATOM 407 CB TYR A 26 5.777 -18.004 10.141 1.00 0.00 C ATOM 408 CG TYR A 26 5.614 -18.818 11.402 1.00 0.00 C ATOM 409 CD1 TYR A 26 4.465 -18.667 12.187 1.00 0.00 C ATOM 410 CD2 TYR A 26 6.614 -19.720 11.787 1.00 0.00 C ATOM 411 CE1 TYR A 26 4.315 -19.419 13.359 1.00 0.00 C ATOM 412 CE2 TYR A 26 6.463 -20.471 12.960 1.00 0.00 C ATOM 413 CZ TYR A 26 5.313 -20.321 13.745 1.00 0.00 C ATOM 414 OH TYR A 26 5.164 -21.061 14.900 1.00 0.00 O ATOM 0 H TYR A 26 5.865 -20.436 9.272 1.00 0.00 H new ATOM 0 HA TYR A 26 3.840 -18.247 9.181 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.817 -18.025 9.815 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.524 -16.962 10.334 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.695 -17.971 11.889 1.00 0.00 H new ATOM 0 HD2 TYR A 26 7.500 -19.836 11.181 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.429 -19.303 13.965 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.234 -21.166 13.259 1.00 0.00 H new ATOM 0 HH TYR A 26 5.946 -21.639 15.021 1.00 0.00 H new ATOM 424 N ILE A 27 5.994 -16.916 7.718 1.00 0.00 N ATOM 425 CA ILE A 27 6.534 -16.296 6.472 1.00 0.00 C ATOM 426 C ILE A 27 7.985 -16.744 6.279 1.00 0.00 C ATOM 427 O ILE A 27 8.691 -16.994 7.236 1.00 0.00 O ATOM 428 CB ILE A 27 6.471 -14.768 6.592 1.00 0.00 C ATOM 429 CG1 ILE A 27 5.005 -14.314 6.601 1.00 0.00 C ATOM 430 CG2 ILE A 27 7.185 -14.129 5.399 1.00 0.00 C ATOM 431 CD1 ILE A 27 4.282 -14.854 7.844 1.00 0.00 C ATOM 0 H ILE A 27 6.164 -16.379 8.568 1.00 0.00 H new ATOM 0 HA ILE A 27 5.940 -16.610 5.614 1.00 0.00 H new ATOM 0 HB ILE A 27 6.957 -14.461 7.518 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.955 -13.225 6.589 1.00 0.00 H new ATOM 0 HG13 ILE A 27 4.504 -14.666 5.700 1.00 0.00 H new ATOM 0 HG21 ILE A 27 7.139 -13.043 5.486 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.227 -14.448 5.385 1.00 0.00 H new ATOM 0 HG23 ILE A 27 6.698 -14.440 4.475 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.244 -14.522 7.834 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.315 -15.943 7.839 1.00 0.00 H new ATOM 0 HD13 ILE A 27 4.774 -14.480 8.742 1.00 0.00 H new ATOM 443 N GLY A 28 8.423 -16.868 5.045 1.00 0.00 N ATOM 444 CA GLY A 28 9.826 -17.319 4.759 1.00 0.00 C ATOM 445 C GLY A 28 10.795 -16.767 5.809 1.00 0.00 C ATOM 446 O GLY A 28 11.798 -17.375 6.125 1.00 0.00 O ATOM 0 H GLY A 28 7.862 -16.674 4.216 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.869 -18.408 4.753 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.127 -16.983 3.767 1.00 0.00 H new ATOM 450 N TRP A 29 10.495 -15.623 6.356 1.00 0.00 N ATOM 451 CA TRP A 29 11.381 -15.033 7.395 1.00 0.00 C ATOM 452 C TRP A 29 11.008 -15.617 8.759 1.00 0.00 C ATOM 453 O TRP A 29 9.886 -15.493 9.207 1.00 0.00 O ATOM 454 CB TRP A 29 11.190 -13.515 7.421 1.00 0.00 C ATOM 455 CG TRP A 29 12.121 -12.911 8.423 1.00 0.00 C ATOM 456 CD1 TRP A 29 13.463 -12.834 8.285 1.00 0.00 C ATOM 457 CD2 TRP A 29 11.805 -12.299 9.706 1.00 0.00 C ATOM 458 NE1 TRP A 29 13.993 -12.215 9.402 1.00 0.00 N ATOM 459 CE2 TRP A 29 13.010 -11.865 10.308 1.00 0.00 C ATOM 460 CE3 TRP A 29 10.601 -12.079 10.399 1.00 0.00 C ATOM 461 CZ2 TRP A 29 13.020 -11.236 11.553 1.00 0.00 C ATOM 462 CZ3 TRP A 29 10.607 -11.447 11.653 1.00 0.00 C ATOM 463 CH2 TRP A 29 11.813 -11.025 12.229 1.00 0.00 C ATOM 0 H TRP A 29 9.670 -15.069 6.126 1.00 0.00 H new ATOM 0 HA TRP A 29 12.422 -15.264 7.168 1.00 0.00 H new ATOM 0 HB2 TRP A 29 11.382 -13.097 6.433 1.00 0.00 H new ATOM 0 HB3 TRP A 29 10.158 -13.272 7.675 1.00 0.00 H new ATOM 0 HD1 TRP A 29 14.029 -13.197 7.440 1.00 0.00 H new ATOM 0 HE1 TRP A 29 14.988 -12.038 9.540 1.00 0.00 H new ATOM 0 HE3 TRP A 29 9.666 -12.398 9.964 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 13.953 -10.914 11.992 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 9.677 -11.285 12.177 1.00 0.00 H new ATOM 0 HH2 TRP A 29 11.811 -10.538 13.193 1.00 0.00 H new ATOM 474 N CYS A 30 11.940 -16.250 9.425 1.00 0.00 N ATOM 475 CA CYS A 30 11.639 -16.840 10.766 1.00 0.00 C ATOM 476 C CYS A 30 12.877 -16.686 11.670 1.00 0.00 C ATOM 477 O CYS A 30 13.994 -16.660 11.192 1.00 0.00 O ATOM 478 CB CYS A 30 11.277 -18.329 10.600 1.00 0.00 C ATOM 479 SG CYS A 30 12.144 -19.014 9.166 1.00 0.00 S ATOM 0 H CYS A 30 12.897 -16.384 9.099 1.00 0.00 H new ATOM 0 HA CYS A 30 10.795 -16.323 11.223 1.00 0.00 H new ATOM 0 HB2 CYS A 30 11.549 -18.881 11.499 1.00 0.00 H new ATOM 0 HB3 CYS A 30 10.200 -18.439 10.472 1.00 0.00 H new ATOM 484 N PRO A 31 12.684 -16.571 12.968 1.00 0.00 N ATOM 485 CA PRO A 31 13.815 -16.403 13.935 1.00 0.00 C ATOM 486 C PRO A 31 14.643 -17.686 14.094 1.00 0.00 C ATOM 487 O PRO A 31 15.434 -17.810 15.007 1.00 0.00 O ATOM 488 CB PRO A 31 13.114 -16.046 15.256 1.00 0.00 C ATOM 489 CG PRO A 31 11.747 -16.642 15.142 1.00 0.00 C ATOM 490 CD PRO A 31 11.380 -16.586 13.657 1.00 0.00 C ATOM 0 HA PRO A 31 14.525 -15.647 13.600 1.00 0.00 H new ATOM 0 HB2 PRO A 31 13.652 -16.454 16.111 1.00 0.00 H new ATOM 0 HB3 PRO A 31 13.063 -14.966 15.397 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.738 -17.669 15.507 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.028 -16.085 15.742 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.782 -17.448 13.361 1.00 0.00 H new ATOM 0 HD3 PRO A 31 10.795 -15.696 13.424 1.00 0.00 H new ATOM 498 N PHE A 32 14.471 -18.636 13.210 1.00 0.00 N ATOM 499 CA PHE A 32 15.250 -19.913 13.304 1.00 0.00 C ATOM 500 C PHE A 32 16.374 -19.892 12.266 1.00 0.00 C ATOM 501 O PHE A 32 17.247 -20.736 12.264 1.00 0.00 O ATOM 502 CB PHE A 32 14.325 -21.103 13.034 1.00 0.00 C ATOM 503 CG PHE A 32 13.261 -21.182 14.112 1.00 0.00 C ATOM 504 CD1 PHE A 32 13.626 -21.419 15.444 1.00 0.00 C ATOM 505 CD2 PHE A 32 11.909 -21.022 13.778 1.00 0.00 C ATOM 506 CE1 PHE A 32 12.641 -21.494 16.439 1.00 0.00 C ATOM 507 CE2 PHE A 32 10.926 -21.097 14.773 1.00 0.00 C ATOM 508 CZ PHE A 32 11.293 -21.332 16.104 1.00 0.00 C ATOM 0 H PHE A 32 13.823 -18.584 12.424 1.00 0.00 H new ATOM 0 HA PHE A 32 15.674 -20.010 14.303 1.00 0.00 H new ATOM 0 HB2 PHE A 32 13.857 -20.997 12.055 1.00 0.00 H new ATOM 0 HB3 PHE A 32 14.903 -22.027 13.012 1.00 0.00 H new ATOM 0 HD1 PHE A 32 14.667 -21.544 15.704 1.00 0.00 H new ATOM 0 HD2 PHE A 32 11.625 -20.841 12.752 1.00 0.00 H new ATOM 0 HE1 PHE A 32 12.924 -21.677 17.465 1.00 0.00 H new ATOM 0 HE2 PHE A 32 9.885 -20.974 14.514 1.00 0.00 H new ATOM 0 HZ PHE A 32 10.535 -21.388 16.871 1.00 0.00 H new ATOM 518 N TRP A 33 16.361 -18.926 11.389 1.00 0.00 N ATOM 519 CA TRP A 33 17.431 -18.838 10.356 1.00 0.00 C ATOM 520 C TRP A 33 18.705 -18.283 11.002 1.00 0.00 C ATOM 521 O TRP A 33 18.589 -17.380 11.812 1.00 0.00 O ATOM 522 CB TRP A 33 16.962 -17.899 9.228 1.00 0.00 C ATOM 523 CG TRP A 33 16.151 -18.662 8.229 1.00 0.00 C ATOM 524 CD1 TRP A 33 15.452 -19.781 8.501 1.00 0.00 C ATOM 525 CD2 TRP A 33 15.942 -18.381 6.814 1.00 0.00 C ATOM 526 NE1 TRP A 33 14.834 -20.219 7.345 1.00 0.00 N ATOM 527 CE2 TRP A 33 15.104 -19.387 6.276 1.00 0.00 C ATOM 528 CE3 TRP A 33 16.397 -17.366 5.955 1.00 0.00 C ATOM 529 CZ2 TRP A 33 14.729 -19.385 4.932 1.00 0.00 C ATOM 530 CZ3 TRP A 33 16.022 -17.360 4.601 1.00 0.00 C ATOM 531 CH2 TRP A 33 15.189 -18.368 4.091 1.00 0.00 C ATOM 532 OXT TRP A 33 19.773 -18.772 10.672 1.00 0.00 O ATOM 0 H TRP A 33 15.654 -18.192 11.343 1.00 0.00 H new ATOM 0 HA TRP A 33 17.638 -19.825 9.942 1.00 0.00 H new ATOM 0 HB2 TRP A 33 16.368 -17.085 9.645 1.00 0.00 H new ATOM 0 HB3 TRP A 33 17.824 -17.446 8.739 1.00 0.00 H new ATOM 0 HD1 TRP A 33 15.385 -20.259 9.467 1.00 0.00 H new ATOM 0 HE1 TRP A 33 14.250 -21.054 7.288 1.00 0.00 H new ATOM 0 HE3 TRP A 33 17.039 -16.586 6.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 14.088 -20.163 4.545 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 16.377 -16.575 3.949 1.00 0.00 H new ATOM 0 HH2 TRP A 33 14.904 -18.358 3.049 1.00 0.00 H new TER 543 TRP A 33