USER MOD reduce.3.24.130724 H: found=0, std=0, add=264, rem=0, adj=5 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= -0.0924 X(o=-0.092,f=-0.01) USER MOD Single : A 1 ASN N :NH3+ -167:sc= -0.0632 (180deg=-0.339) USER MOD Single : A 8 GLN : amide:sc= -0.64 K(o=-0.64,f=-4.1!) USER MOD Single : A 11 LYS NZ :NH3+ 136:sc= -0.236 (180deg=-1.51!) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN : amide:sc= -0.434 K(o=-0.43,f=-3.2!) USER MOD Single : A 17 THR OG1 : rot 71:sc= 1.18 USER MOD Single : A 18 SER OG : rot -86:sc= -1.61! USER MOD Single : A 24 GLN : amide:sc= -0.493 K(o=-0.49,f=-3.8!) USER MOD Single : A 25 HIS : no HD1:sc= -0.142 X(o=-0.14,f=-0.28) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 40.564 -35.985 19.292 1.00 0.00 N ATOM 2 CA ASN A 1 41.339 -37.254 19.393 1.00 0.00 C ATOM 3 C ASN A 1 40.668 -38.332 18.540 1.00 0.00 C ATOM 4 O ASN A 1 41.304 -39.265 18.089 1.00 0.00 O ATOM 5 CB ASN A 1 41.380 -37.711 20.853 1.00 0.00 C ATOM 6 CG ASN A 1 42.258 -36.757 21.662 1.00 0.00 C ATOM 7 OD1 ASN A 1 43.439 -36.991 21.825 1.00 0.00 O ATOM 8 ND2 ASN A 1 41.729 -35.682 22.179 1.00 0.00 N ATOM 0 H1 ASN A 1 41.126 -35.203 19.683 1.00 0.00 H new ATOM 0 H2 ASN A 1 40.346 -35.790 18.294 1.00 0.00 H new ATOM 0 H3 ASN A 1 39.678 -36.076 19.828 1.00 0.00 H new ATOM 0 HA ASN A 1 42.355 -37.088 19.035 1.00 0.00 H new ATOM 0 HB2 ASN A 1 40.372 -37.733 21.267 1.00 0.00 H new ATOM 0 HB3 ASN A 1 41.773 -38.726 20.917 1.00 0.00 H new ATOM 0 HD21 ASN A 1 42.307 -35.039 22.720 1.00 0.00 H new ATOM 0 HD22 ASN A 1 40.738 -35.485 22.042 1.00 0.00 H new ATOM 17 N GLU A 2 39.388 -38.214 18.315 1.00 0.00 N ATOM 18 CA GLU A 2 38.680 -39.235 17.492 1.00 0.00 C ATOM 19 C GLU A 2 37.268 -38.730 17.160 1.00 0.00 C ATOM 20 O GLU A 2 37.097 -37.841 16.350 1.00 0.00 O ATOM 21 CB GLU A 2 38.606 -40.550 18.276 1.00 0.00 C ATOM 22 CG GLU A 2 38.038 -41.656 17.380 1.00 0.00 C ATOM 23 CD GLU A 2 38.271 -43.017 18.040 1.00 0.00 C ATOM 24 OE1 GLU A 2 38.956 -43.054 19.049 1.00 0.00 O ATOM 25 OE2 GLU A 2 37.760 -43.998 17.526 1.00 0.00 O ATOM 0 H GLU A 2 38.802 -37.456 18.665 1.00 0.00 H new ATOM 0 HA GLU A 2 39.221 -39.406 16.561 1.00 0.00 H new ATOM 0 HB2 GLU A 2 39.598 -40.830 18.630 1.00 0.00 H new ATOM 0 HB3 GLU A 2 37.977 -40.424 19.157 1.00 0.00 H new ATOM 0 HG2 GLU A 2 36.972 -41.496 17.218 1.00 0.00 H new ATOM 0 HG3 GLU A 2 38.517 -41.628 16.401 1.00 0.00 H new ATOM 32 N LEU A 3 36.257 -39.284 17.775 1.00 0.00 N ATOM 33 CA LEU A 3 34.865 -38.831 17.491 1.00 0.00 C ATOM 34 C LEU A 3 34.658 -38.731 15.977 1.00 0.00 C ATOM 35 O LEU A 3 34.070 -37.790 15.482 1.00 0.00 O ATOM 36 CB LEU A 3 34.618 -37.451 18.123 1.00 0.00 C ATOM 37 CG LEU A 3 34.859 -37.477 19.650 1.00 0.00 C ATOM 38 CD1 LEU A 3 34.078 -38.632 20.295 1.00 0.00 C ATOM 39 CD2 LEU A 3 36.363 -37.624 19.968 1.00 0.00 C ATOM 0 H LEU A 3 36.336 -40.033 18.463 1.00 0.00 H new ATOM 0 HA LEU A 3 34.167 -39.553 17.915 1.00 0.00 H new ATOM 0 HB2 LEU A 3 35.277 -36.715 17.662 1.00 0.00 H new ATOM 0 HB3 LEU A 3 33.595 -37.134 17.920 1.00 0.00 H new ATOM 0 HG LEU A 3 34.506 -36.532 20.062 1.00 0.00 H new ATOM 0 HD11 LEU A 3 34.258 -38.637 21.370 1.00 0.00 H new ATOM 0 HD12 LEU A 3 33.013 -38.501 20.106 1.00 0.00 H new ATOM 0 HD13 LEU A 3 34.409 -39.578 19.867 1.00 0.00 H new ATOM 0 HD21 LEU A 3 36.507 -37.640 21.048 1.00 0.00 H new ATOM 0 HD22 LEU A 3 36.736 -38.554 19.539 1.00 0.00 H new ATOM 0 HD23 LEU A 3 36.909 -36.782 19.542 1.00 0.00 H new ATOM 51 N ASP A 4 35.138 -39.694 15.237 1.00 0.00 N ATOM 52 CA ASP A 4 34.968 -39.657 13.754 1.00 0.00 C ATOM 53 C ASP A 4 33.621 -40.281 13.379 1.00 0.00 C ATOM 54 O ASP A 4 33.563 -41.303 12.723 1.00 0.00 O ATOM 55 CB ASP A 4 36.099 -40.448 13.093 1.00 0.00 C ATOM 56 CG ASP A 4 35.927 -40.409 11.573 1.00 0.00 C ATOM 57 OD1 ASP A 4 36.078 -39.340 11.006 1.00 0.00 O ATOM 58 OD2 ASP A 4 35.646 -41.450 11.002 1.00 0.00 O ATOM 0 H ASP A 4 35.641 -40.506 15.595 1.00 0.00 H new ATOM 0 HA ASP A 4 34.997 -38.623 13.410 1.00 0.00 H new ATOM 0 HB2 ASP A 4 37.064 -40.025 13.372 1.00 0.00 H new ATOM 0 HB3 ASP A 4 36.090 -41.480 13.445 1.00 0.00 H new ATOM 63 N VAL A 5 32.539 -39.670 13.795 1.00 0.00 N ATOM 64 CA VAL A 5 31.176 -40.206 13.481 1.00 0.00 C ATOM 65 C VAL A 5 30.346 -39.083 12.837 1.00 0.00 C ATOM 66 O VAL A 5 30.622 -37.916 13.035 1.00 0.00 O ATOM 67 CB VAL A 5 30.506 -40.665 14.796 1.00 0.00 C ATOM 68 CG1 VAL A 5 30.788 -42.150 15.041 1.00 0.00 C ATOM 69 CG2 VAL A 5 31.059 -39.848 15.972 1.00 0.00 C ATOM 0 H VAL A 5 32.542 -38.812 14.346 1.00 0.00 H new ATOM 0 HA VAL A 5 31.244 -41.051 12.796 1.00 0.00 H new ATOM 0 HB VAL A 5 29.430 -40.510 14.713 1.00 0.00 H new ATOM 0 HG11 VAL A 5 30.311 -42.462 15.970 1.00 0.00 H new ATOM 0 HG12 VAL A 5 30.390 -42.737 14.213 1.00 0.00 H new ATOM 0 HG13 VAL A 5 31.864 -42.309 15.114 1.00 0.00 H new ATOM 0 HG21 VAL A 5 30.584 -40.175 16.897 1.00 0.00 H new ATOM 0 HG22 VAL A 5 32.136 -39.998 16.044 1.00 0.00 H new ATOM 0 HG23 VAL A 5 30.850 -38.790 15.811 1.00 0.00 H new ATOM 79 N PRO A 6 29.334 -39.426 12.074 1.00 0.00 N ATOM 80 CA PRO A 6 28.464 -38.415 11.404 1.00 0.00 C ATOM 81 C PRO A 6 27.582 -37.667 12.411 1.00 0.00 C ATOM 82 O PRO A 6 26.503 -37.212 12.086 1.00 0.00 O ATOM 83 CB PRO A 6 27.609 -39.246 10.433 1.00 0.00 C ATOM 84 CG PRO A 6 27.574 -40.619 11.030 1.00 0.00 C ATOM 85 CD PRO A 6 28.908 -40.803 11.763 1.00 0.00 C ATOM 0 HA PRO A 6 29.045 -37.642 10.902 1.00 0.00 H new ATOM 0 HB2 PRO A 6 26.606 -38.832 10.336 1.00 0.00 H new ATOM 0 HB3 PRO A 6 28.046 -39.260 9.435 1.00 0.00 H new ATOM 0 HG2 PRO A 6 26.735 -40.723 11.718 1.00 0.00 H new ATOM 0 HG3 PRO A 6 27.448 -41.376 10.256 1.00 0.00 H new ATOM 0 HD2 PRO A 6 28.788 -41.398 12.668 1.00 0.00 H new ATOM 0 HD3 PRO A 6 29.639 -41.316 11.139 1.00 0.00 H new ATOM 93 N GLU A 7 28.037 -37.524 13.628 1.00 0.00 N ATOM 94 CA GLU A 7 27.224 -36.792 14.636 1.00 0.00 C ATOM 95 C GLU A 7 27.012 -35.364 14.134 1.00 0.00 C ATOM 96 O GLU A 7 26.090 -34.682 14.530 1.00 0.00 O ATOM 97 CB GLU A 7 27.950 -36.774 15.985 1.00 0.00 C ATOM 98 CG GLU A 7 29.394 -36.309 15.790 1.00 0.00 C ATOM 99 CD GLU A 7 30.142 -36.391 17.122 1.00 0.00 C ATOM 100 OE1 GLU A 7 30.474 -37.493 17.526 1.00 0.00 O ATOM 101 OE2 GLU A 7 30.370 -35.350 17.716 1.00 0.00 O ATOM 0 H GLU A 7 28.932 -37.881 13.964 1.00 0.00 H new ATOM 0 HA GLU A 7 26.263 -37.287 14.773 1.00 0.00 H new ATOM 0 HB2 GLU A 7 27.434 -36.108 16.677 1.00 0.00 H new ATOM 0 HB3 GLU A 7 27.936 -37.769 16.429 1.00 0.00 H new ATOM 0 HG2 GLU A 7 29.889 -36.930 15.044 1.00 0.00 H new ATOM 0 HG3 GLU A 7 29.410 -35.286 15.414 1.00 0.00 H new ATOM 108 N GLN A 8 27.861 -34.922 13.247 1.00 0.00 N ATOM 109 CA GLN A 8 27.716 -33.555 12.688 1.00 0.00 C ATOM 110 C GLN A 8 26.594 -33.571 11.655 1.00 0.00 C ATOM 111 O GLN A 8 25.622 -32.850 11.762 1.00 0.00 O ATOM 112 CB GLN A 8 29.023 -33.146 12.011 1.00 0.00 C ATOM 113 CG GLN A 8 30.138 -33.060 13.052 1.00 0.00 C ATOM 114 CD GLN A 8 29.950 -31.803 13.903 1.00 0.00 C ATOM 115 OE1 GLN A 8 29.172 -30.934 13.563 1.00 0.00 O ATOM 116 NE2 GLN A 8 30.638 -31.667 15.005 1.00 0.00 N ATOM 0 H GLN A 8 28.652 -35.455 12.886 1.00 0.00 H new ATOM 0 HA GLN A 8 27.484 -32.846 13.482 1.00 0.00 H new ATOM 0 HB2 GLN A 8 29.287 -33.871 11.241 1.00 0.00 H new ATOM 0 HB3 GLN A 8 28.901 -32.183 11.515 1.00 0.00 H new ATOM 0 HG2 GLN A 8 30.126 -33.946 13.687 1.00 0.00 H new ATOM 0 HG3 GLN A 8 31.109 -33.035 12.558 1.00 0.00 H new ATOM 0 HE21 GLN A 8 31.291 -32.396 15.291 1.00 0.00 H new ATOM 0 HE22 GLN A 8 30.522 -30.832 15.579 1.00 0.00 H new ATOM 125 N VAL A 9 26.730 -34.399 10.655 1.00 0.00 N ATOM 126 CA VAL A 9 25.689 -34.495 9.595 1.00 0.00 C ATOM 127 C VAL A 9 24.300 -34.500 10.233 1.00 0.00 C ATOM 128 O VAL A 9 23.325 -34.104 9.626 1.00 0.00 O ATOM 129 CB VAL A 9 25.903 -35.792 8.816 1.00 0.00 C ATOM 130 CG1 VAL A 9 24.820 -35.943 7.750 1.00 0.00 C ATOM 131 CG2 VAL A 9 27.280 -35.759 8.149 1.00 0.00 C ATOM 0 H VAL A 9 27.529 -35.020 10.527 1.00 0.00 H new ATOM 0 HA VAL A 9 25.764 -33.640 8.923 1.00 0.00 H new ATOM 0 HB VAL A 9 25.848 -36.638 9.501 1.00 0.00 H new ATOM 0 HG11 VAL A 9 24.979 -36.870 7.199 1.00 0.00 H new ATOM 0 HG12 VAL A 9 23.840 -35.968 8.227 1.00 0.00 H new ATOM 0 HG13 VAL A 9 24.867 -35.099 7.062 1.00 0.00 H new ATOM 0 HG21 VAL A 9 27.437 -36.683 7.592 1.00 0.00 H new ATOM 0 HG22 VAL A 9 27.334 -34.910 7.467 1.00 0.00 H new ATOM 0 HG23 VAL A 9 28.052 -35.660 8.912 1.00 0.00 H new ATOM 141 N ASP A 10 24.206 -34.930 11.459 1.00 0.00 N ATOM 142 CA ASP A 10 22.881 -34.939 12.135 1.00 0.00 C ATOM 143 C ASP A 10 22.410 -33.493 12.282 1.00 0.00 C ATOM 144 O ASP A 10 21.420 -33.097 11.699 1.00 0.00 O ATOM 145 CB ASP A 10 23.002 -35.585 13.518 1.00 0.00 C ATOM 146 CG ASP A 10 23.170 -37.098 13.361 1.00 0.00 C ATOM 147 OD1 ASP A 10 22.401 -37.685 12.619 1.00 0.00 O ATOM 148 OD2 ASP A 10 24.064 -37.643 13.988 1.00 0.00 O ATOM 0 H ASP A 10 24.985 -35.274 12.020 1.00 0.00 H new ATOM 0 HA ASP A 10 22.166 -35.513 11.546 1.00 0.00 H new ATOM 0 HB2 ASP A 10 23.855 -35.167 14.053 1.00 0.00 H new ATOM 0 HB3 ASP A 10 22.115 -35.366 14.112 1.00 0.00 H new ATOM 153 N LYS A 11 23.116 -32.712 13.072 1.00 0.00 N ATOM 154 CA LYS A 11 22.735 -31.275 13.288 1.00 0.00 C ATOM 155 C LYS A 11 22.148 -30.692 11.994 1.00 0.00 C ATOM 156 O LYS A 11 21.176 -29.963 12.017 1.00 0.00 O ATOM 157 CB LYS A 11 23.972 -30.455 13.712 1.00 0.00 C ATOM 158 CG LYS A 11 24.306 -30.678 15.217 1.00 0.00 C ATOM 159 CD LYS A 11 25.435 -31.719 15.382 1.00 0.00 C ATOM 160 CE LYS A 11 26.806 -31.029 15.333 1.00 0.00 C ATOM 161 NZ LYS A 11 26.876 -29.980 16.388 1.00 0.00 N ATOM 0 H LYS A 11 23.948 -33.012 13.581 1.00 0.00 H new ATOM 0 HA LYS A 11 21.987 -31.224 14.079 1.00 0.00 H new ATOM 0 HB2 LYS A 11 24.828 -30.740 13.101 1.00 0.00 H new ATOM 0 HB3 LYS A 11 23.789 -29.396 13.530 1.00 0.00 H new ATOM 0 HG2 LYS A 11 24.607 -29.734 15.671 1.00 0.00 H new ATOM 0 HG3 LYS A 11 23.414 -31.015 15.746 1.00 0.00 H new ATOM 0 HD2 LYS A 11 25.318 -32.245 16.330 1.00 0.00 H new ATOM 0 HD3 LYS A 11 25.368 -32.467 14.592 1.00 0.00 H new ATOM 0 HE2 LYS A 11 27.599 -31.762 15.482 1.00 0.00 H new ATOM 0 HE3 LYS A 11 26.965 -30.583 14.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 27.795 -30.034 16.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 26.769 -29.042 15.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 26.113 -30.130 17.078 1.00 0.00 H new ATOM 175 N LEU A 12 22.715 -31.025 10.864 1.00 0.00 N ATOM 176 CA LEU A 12 22.168 -30.510 9.582 1.00 0.00 C ATOM 177 C LEU A 12 20.757 -31.069 9.398 1.00 0.00 C ATOM 178 O LEU A 12 19.818 -30.337 9.158 1.00 0.00 O ATOM 179 CB LEU A 12 23.080 -30.947 8.418 1.00 0.00 C ATOM 180 CG LEU A 12 24.176 -29.889 8.157 1.00 0.00 C ATOM 181 CD1 LEU A 12 23.582 -28.652 7.454 1.00 0.00 C ATOM 182 CD2 LEU A 12 24.828 -29.466 9.487 1.00 0.00 C ATOM 0 H LEU A 12 23.531 -31.630 10.777 1.00 0.00 H new ATOM 0 HA LEU A 12 22.128 -29.421 9.596 1.00 0.00 H new ATOM 0 HB2 LEU A 12 23.542 -31.906 8.651 1.00 0.00 H new ATOM 0 HB3 LEU A 12 22.484 -31.091 7.517 1.00 0.00 H new ATOM 0 HG LEU A 12 24.932 -30.331 7.508 1.00 0.00 H new ATOM 0 HD11 LEU A 12 24.370 -27.919 7.279 1.00 0.00 H new ATOM 0 HD12 LEU A 12 23.146 -28.950 6.501 1.00 0.00 H new ATOM 0 HD13 LEU A 12 22.810 -28.211 8.084 1.00 0.00 H new ATOM 0 HD21 LEU A 12 25.599 -28.720 9.293 1.00 0.00 H new ATOM 0 HD22 LEU A 12 24.070 -29.041 10.145 1.00 0.00 H new ATOM 0 HD23 LEU A 12 25.277 -30.337 9.965 1.00 0.00 H new ATOM 194 N ILE A 13 20.589 -32.356 9.534 1.00 0.00 N ATOM 195 CA ILE A 13 19.226 -32.929 9.391 1.00 0.00 C ATOM 196 C ILE A 13 18.318 -32.222 10.394 1.00 0.00 C ATOM 197 O ILE A 13 17.275 -31.704 10.049 1.00 0.00 O ATOM 198 CB ILE A 13 19.262 -34.431 9.689 1.00 0.00 C ATOM 199 CG1 ILE A 13 20.049 -35.149 8.589 1.00 0.00 C ATOM 200 CG2 ILE A 13 17.835 -34.979 9.734 1.00 0.00 C ATOM 201 CD1 ILE A 13 20.312 -36.596 9.010 1.00 0.00 C ATOM 0 H ILE A 13 21.330 -33.028 9.736 1.00 0.00 H new ATOM 0 HA ILE A 13 18.855 -32.788 8.376 1.00 0.00 H new ATOM 0 HB ILE A 13 19.745 -34.598 10.652 1.00 0.00 H new ATOM 0 HG12 ILE A 13 19.489 -35.127 7.654 1.00 0.00 H new ATOM 0 HG13 ILE A 13 20.993 -34.635 8.408 1.00 0.00 H new ATOM 0 HG21 ILE A 13 17.862 -36.048 9.946 1.00 0.00 H new ATOM 0 HG22 ILE A 13 17.274 -34.468 10.516 1.00 0.00 H new ATOM 0 HG23 ILE A 13 17.351 -34.812 8.772 1.00 0.00 H new ATOM 0 HD11 ILE A 13 20.872 -37.107 8.227 1.00 0.00 H new ATOM 0 HD12 ILE A 13 20.889 -36.607 9.935 1.00 0.00 H new ATOM 0 HD13 ILE A 13 19.362 -37.107 9.169 1.00 0.00 H new ATOM 213 N GLN A 14 18.722 -32.183 11.635 1.00 0.00 N ATOM 214 CA GLN A 14 17.906 -31.493 12.665 1.00 0.00 C ATOM 215 C GLN A 14 17.687 -30.042 12.234 1.00 0.00 C ATOM 216 O GLN A 14 16.571 -29.584 12.105 1.00 0.00 O ATOM 217 CB GLN A 14 18.652 -31.527 13.997 1.00 0.00 C ATOM 218 CG GLN A 14 18.722 -32.969 14.506 1.00 0.00 C ATOM 219 CD GLN A 14 19.278 -32.979 15.931 1.00 0.00 C ATOM 220 OE1 GLN A 14 20.459 -33.175 16.133 1.00 0.00 O ATOM 221 NE2 GLN A 14 18.469 -32.776 16.935 1.00 0.00 N ATOM 0 H GLN A 14 19.586 -32.602 11.977 1.00 0.00 H new ATOM 0 HA GLN A 14 16.942 -31.990 12.776 1.00 0.00 H new ATOM 0 HB2 GLN A 14 19.657 -31.125 13.873 1.00 0.00 H new ATOM 0 HB3 GLN A 14 18.144 -30.897 14.727 1.00 0.00 H new ATOM 0 HG2 GLN A 14 17.730 -33.421 14.488 1.00 0.00 H new ATOM 0 HG3 GLN A 14 19.357 -33.567 13.852 1.00 0.00 H new ATOM 0 HE21 GLN A 14 17.477 -32.611 16.765 1.00 0.00 H new ATOM 0 HE22 GLN A 14 18.829 -32.782 17.889 1.00 0.00 H new ATOM 230 N GLN A 15 18.752 -29.320 12.001 1.00 0.00 N ATOM 231 CA GLN A 15 18.618 -27.898 11.570 1.00 0.00 C ATOM 232 C GLN A 15 17.695 -27.825 10.353 1.00 0.00 C ATOM 233 O GLN A 15 16.677 -27.163 10.371 1.00 0.00 O ATOM 234 CB GLN A 15 19.999 -27.350 11.200 1.00 0.00 C ATOM 235 CG GLN A 15 20.796 -27.063 12.475 1.00 0.00 C ATOM 236 CD GLN A 15 20.263 -25.791 13.136 1.00 0.00 C ATOM 237 OE1 GLN A 15 19.286 -25.223 12.688 1.00 0.00 O ATOM 238 NE2 GLN A 15 20.867 -25.316 14.190 1.00 0.00 N ATOM 0 H GLN A 15 19.711 -29.655 12.091 1.00 0.00 H new ATOM 0 HA GLN A 15 18.197 -27.304 12.382 1.00 0.00 H new ATOM 0 HB2 GLN A 15 20.533 -28.070 10.580 1.00 0.00 H new ATOM 0 HB3 GLN A 15 19.894 -26.438 10.612 1.00 0.00 H new ATOM 0 HG2 GLN A 15 20.716 -27.904 13.164 1.00 0.00 H new ATOM 0 HG3 GLN A 15 21.853 -26.946 12.237 1.00 0.00 H new ATOM 0 HE21 GLN A 15 21.687 -25.792 14.566 1.00 0.00 H new ATOM 0 HE22 GLN A 15 20.520 -24.468 14.638 1.00 0.00 H new ATOM 247 N ALA A 16 18.039 -28.498 9.291 1.00 0.00 N ATOM 248 CA ALA A 16 17.171 -28.461 8.082 1.00 0.00 C ATOM 249 C ALA A 16 15.781 -28.985 8.450 1.00 0.00 C ATOM 250 O ALA A 16 14.777 -28.382 8.133 1.00 0.00 O ATOM 251 CB ALA A 16 17.778 -29.336 6.986 1.00 0.00 C ATOM 0 H ALA A 16 18.880 -29.070 9.208 1.00 0.00 H new ATOM 0 HA ALA A 16 17.093 -27.437 7.717 1.00 0.00 H new ATOM 0 HB1 ALA A 16 17.140 -29.307 6.102 1.00 0.00 H new ATOM 0 HB2 ALA A 16 18.770 -28.963 6.730 1.00 0.00 H new ATOM 0 HB3 ALA A 16 17.857 -30.363 7.343 1.00 0.00 H new ATOM 257 N THR A 17 15.716 -30.095 9.135 1.00 0.00 N ATOM 258 CA THR A 17 14.388 -30.639 9.535 1.00 0.00 C ATOM 259 C THR A 17 13.621 -29.539 10.267 1.00 0.00 C ATOM 260 O THR A 17 12.543 -29.150 9.872 1.00 0.00 O ATOM 261 CB THR A 17 14.574 -31.841 10.464 1.00 0.00 C ATOM 262 OG1 THR A 17 15.105 -32.931 9.723 1.00 0.00 O ATOM 263 CG2 THR A 17 13.228 -32.241 11.073 1.00 0.00 C ATOM 0 H THR A 17 16.521 -30.646 9.433 1.00 0.00 H new ATOM 0 HA THR A 17 13.836 -30.963 8.652 1.00 0.00 H new ATOM 0 HB THR A 17 15.262 -31.574 11.266 1.00 0.00 H new ATOM 0 HG1 THR A 17 16.038 -32.744 9.490 1.00 0.00 H new ATOM 0 HG21 THR A 17 13.367 -33.097 11.733 1.00 0.00 H new ATOM 0 HG22 THR A 17 12.824 -31.405 11.644 1.00 0.00 H new ATOM 0 HG23 THR A 17 12.533 -32.506 10.277 1.00 0.00 H new ATOM 271 N SER A 18 14.179 -29.036 11.338 1.00 0.00 N ATOM 272 CA SER A 18 13.494 -27.956 12.104 1.00 0.00 C ATOM 273 C SER A 18 12.958 -26.905 11.118 1.00 0.00 C ATOM 274 O SER A 18 11.795 -26.920 10.769 1.00 0.00 O ATOM 275 CB SER A 18 14.497 -27.318 13.080 1.00 0.00 C ATOM 276 OG SER A 18 15.802 -27.396 12.531 1.00 0.00 O ATOM 0 H SER A 18 15.081 -29.328 11.714 1.00 0.00 H new ATOM 0 HA SER A 18 12.659 -28.365 12.673 1.00 0.00 H new ATOM 0 HB2 SER A 18 14.230 -26.278 13.265 1.00 0.00 H new ATOM 0 HB3 SER A 18 14.463 -27.831 14.041 1.00 0.00 H new ATOM 0 HG SER A 18 16.203 -28.260 12.762 1.00 0.00 H new ATOM 282 N ILE A 19 13.789 -25.991 10.687 1.00 0.00 N ATOM 283 CA ILE A 19 13.352 -24.914 9.742 1.00 0.00 C ATOM 284 C ILE A 19 12.272 -25.410 8.763 1.00 0.00 C ATOM 285 O ILE A 19 11.259 -24.764 8.591 1.00 0.00 O ATOM 286 CB ILE A 19 14.610 -24.435 8.964 1.00 0.00 C ATOM 287 CG1 ILE A 19 15.325 -23.324 9.751 1.00 0.00 C ATOM 288 CG2 ILE A 19 14.237 -23.899 7.572 1.00 0.00 C ATOM 289 CD1 ILE A 19 15.975 -23.901 11.009 1.00 0.00 C ATOM 0 H ILE A 19 14.772 -25.943 10.955 1.00 0.00 H new ATOM 0 HA ILE A 19 12.906 -24.095 10.306 1.00 0.00 H new ATOM 0 HB ILE A 19 15.270 -25.294 8.844 1.00 0.00 H new ATOM 0 HG12 ILE A 19 16.083 -22.855 9.124 1.00 0.00 H new ATOM 0 HG13 ILE A 19 14.612 -22.546 10.025 1.00 0.00 H new ATOM 0 HG21 ILE A 19 15.139 -23.572 7.054 1.00 0.00 H new ATOM 0 HG22 ILE A 19 13.753 -24.688 6.996 1.00 0.00 H new ATOM 0 HG23 ILE A 19 13.554 -23.056 7.678 1.00 0.00 H new ATOM 0 HD11 ILE A 19 16.478 -23.104 11.557 1.00 0.00 H new ATOM 0 HD12 ILE A 19 15.209 -24.349 11.642 1.00 0.00 H new ATOM 0 HD13 ILE A 19 16.703 -24.662 10.726 1.00 0.00 H new ATOM 301 N GLU A 20 12.474 -26.517 8.109 1.00 0.00 N ATOM 302 CA GLU A 20 11.444 -26.992 7.134 1.00 0.00 C ATOM 303 C GLU A 20 10.038 -26.892 7.745 1.00 0.00 C ATOM 304 O GLU A 20 9.158 -26.269 7.186 1.00 0.00 O ATOM 305 CB GLU A 20 11.734 -28.443 6.737 1.00 0.00 C ATOM 306 CG GLU A 20 12.923 -28.483 5.769 1.00 0.00 C ATOM 307 CD GLU A 20 12.467 -28.035 4.379 1.00 0.00 C ATOM 308 OE1 GLU A 20 11.714 -28.767 3.758 1.00 0.00 O ATOM 309 OE2 GLU A 20 12.879 -26.965 3.959 1.00 0.00 O ATOM 0 H GLU A 20 13.297 -27.112 8.202 1.00 0.00 H new ATOM 0 HA GLU A 20 11.486 -26.359 6.248 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.954 -29.036 7.624 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.855 -28.885 6.268 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.720 -27.832 6.129 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.332 -29.492 5.721 1.00 0.00 H new ATOM 316 N ARG A 21 9.809 -27.519 8.868 1.00 0.00 N ATOM 317 CA ARG A 21 8.450 -27.479 9.486 1.00 0.00 C ATOM 318 C ARG A 21 8.277 -26.234 10.371 1.00 0.00 C ATOM 319 O ARG A 21 7.171 -25.859 10.706 1.00 0.00 O ATOM 320 CB ARG A 21 8.251 -28.728 10.354 1.00 0.00 C ATOM 321 CG ARG A 21 8.558 -30.000 9.546 1.00 0.00 C ATOM 322 CD ARG A 21 7.408 -30.305 8.580 1.00 0.00 C ATOM 323 NE ARG A 21 7.599 -31.664 8.001 1.00 0.00 N ATOM 324 CZ ARG A 21 7.384 -32.722 8.733 1.00 0.00 C ATOM 325 NH1 ARG A 21 6.231 -32.883 9.323 1.00 0.00 N ATOM 326 NH2 ARG A 21 8.322 -33.620 8.874 1.00 0.00 N ATOM 0 H ARG A 21 10.504 -28.058 9.385 1.00 0.00 H new ATOM 0 HA ARG A 21 7.713 -27.445 8.683 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.902 -28.679 11.227 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.226 -28.763 10.722 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.486 -29.870 8.989 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.707 -30.842 10.222 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.454 -30.251 9.104 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.378 -29.560 7.785 1.00 0.00 H new ATOM 0 HE ARG A 21 7.898 -31.767 7.031 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.499 -32.182 9.212 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.062 -33.710 9.896 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.222 -33.494 8.412 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.154 -34.447 9.446 1.00 0.00 H new ATOM 340 N LEU A 22 9.347 -25.589 10.756 1.00 0.00 N ATOM 341 CA LEU A 22 9.220 -24.371 11.620 1.00 0.00 C ATOM 342 C LEU A 22 9.023 -23.122 10.746 1.00 0.00 C ATOM 343 O LEU A 22 8.398 -22.164 11.149 1.00 0.00 O ATOM 344 CB LEU A 22 10.501 -24.220 12.465 1.00 0.00 C ATOM 345 CG LEU A 22 10.363 -24.974 13.795 1.00 0.00 C ATOM 346 CD1 LEU A 22 10.094 -26.453 13.525 1.00 0.00 C ATOM 347 CD2 LEU A 22 11.659 -24.839 14.597 1.00 0.00 C ATOM 0 H LEU A 22 10.302 -25.850 10.512 1.00 0.00 H new ATOM 0 HA LEU A 22 8.356 -24.478 12.275 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.357 -24.604 11.910 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.694 -23.165 12.657 1.00 0.00 H new ATOM 0 HG LEU A 22 9.534 -24.550 14.361 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.997 -26.984 14.472 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.171 -26.557 12.954 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.922 -26.875 12.956 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.560 -25.375 15.541 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.486 -25.260 14.026 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.855 -23.786 14.796 1.00 0.00 H new ATOM 359 N CYS A 23 9.573 -23.125 9.562 1.00 0.00 N ATOM 360 CA CYS A 23 9.446 -21.932 8.675 1.00 0.00 C ATOM 361 C CYS A 23 8.167 -22.012 7.837 1.00 0.00 C ATOM 362 O CYS A 23 7.797 -21.059 7.179 1.00 0.00 O ATOM 363 CB CYS A 23 10.665 -21.841 7.760 1.00 0.00 C ATOM 364 SG CYS A 23 12.080 -21.209 8.702 1.00 0.00 S ATOM 0 H CYS A 23 10.105 -23.902 9.170 1.00 0.00 H new ATOM 0 HA CYS A 23 9.392 -21.039 9.297 1.00 0.00 H new ATOM 0 HB2 CYS A 23 10.898 -22.823 7.348 1.00 0.00 H new ATOM 0 HB3 CYS A 23 10.452 -21.183 6.917 1.00 0.00 H new ATOM 369 N GLN A 24 7.481 -23.122 7.846 1.00 0.00 N ATOM 370 CA GLN A 24 6.231 -23.223 7.043 1.00 0.00 C ATOM 371 C GLN A 24 5.072 -22.592 7.823 1.00 0.00 C ATOM 372 O GLN A 24 4.041 -22.269 7.267 1.00 0.00 O ATOM 373 CB GLN A 24 5.928 -24.703 6.776 1.00 0.00 C ATOM 374 CG GLN A 24 6.806 -25.225 5.629 1.00 0.00 C ATOM 375 CD GLN A 24 6.189 -24.841 4.279 1.00 0.00 C ATOM 376 OE1 GLN A 24 5.922 -23.684 4.025 1.00 0.00 O ATOM 377 NE2 GLN A 24 5.949 -25.773 3.398 1.00 0.00 N ATOM 0 H GLN A 24 7.731 -23.959 8.372 1.00 0.00 H new ATOM 0 HA GLN A 24 6.355 -22.697 6.096 1.00 0.00 H new ATOM 0 HB2 GLN A 24 6.110 -25.287 7.678 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.875 -24.826 6.523 1.00 0.00 H new ATOM 0 HG2 GLN A 24 7.810 -24.809 5.711 1.00 0.00 H new ATOM 0 HG3 GLN A 24 6.903 -26.308 5.699 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.173 -26.745 3.610 1.00 0.00 H new ATOM 0 HE22 GLN A 24 5.538 -25.529 2.497 1.00 0.00 H new ATOM 386 N HIS A 25 5.229 -22.424 9.109 1.00 0.00 N ATOM 387 CA HIS A 25 4.131 -21.826 9.924 1.00 0.00 C ATOM 388 C HIS A 25 4.173 -20.299 9.820 1.00 0.00 C ATOM 389 O HIS A 25 3.151 -19.643 9.857 1.00 0.00 O ATOM 390 CB HIS A 25 4.301 -22.236 11.390 1.00 0.00 C ATOM 391 CG HIS A 25 3.897 -23.676 11.564 1.00 0.00 C ATOM 392 ND1 HIS A 25 2.787 -24.214 10.933 1.00 0.00 N ATOM 393 CD2 HIS A 25 4.443 -24.700 12.298 1.00 0.00 C ATOM 394 CE1 HIS A 25 2.701 -25.507 11.295 1.00 0.00 C ATOM 395 NE2 HIS A 25 3.686 -25.855 12.126 1.00 0.00 N ATOM 0 H HIS A 25 6.069 -22.675 9.630 1.00 0.00 H new ATOM 0 HA HIS A 25 3.173 -22.186 9.548 1.00 0.00 H new ATOM 0 HB2 HIS A 25 5.338 -22.099 11.698 1.00 0.00 H new ATOM 0 HB3 HIS A 25 3.692 -21.597 12.029 1.00 0.00 H new ATOM 0 HD2 HIS A 25 5.326 -24.621 12.915 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.929 -26.181 10.955 1.00 0.00 H new ATOM 0 HE2 HIS A 25 3.849 -26.771 12.545 1.00 0.00 H new ATOM 403 N TYR A 26 5.344 -19.727 9.702 1.00 0.00 N ATOM 404 CA TYR A 26 5.470 -18.244 9.609 1.00 0.00 C ATOM 405 C TYR A 26 5.884 -17.848 8.192 1.00 0.00 C ATOM 406 O TYR A 26 5.716 -18.593 7.247 1.00 0.00 O ATOM 407 CB TYR A 26 6.551 -17.788 10.595 1.00 0.00 C ATOM 408 CG TYR A 26 6.499 -18.645 11.835 1.00 0.00 C ATOM 409 CD1 TYR A 26 5.514 -18.415 12.800 1.00 0.00 C ATOM 410 CD2 TYR A 26 7.434 -19.672 12.016 1.00 0.00 C ATOM 411 CE1 TYR A 26 5.462 -19.210 13.951 1.00 0.00 C ATOM 412 CE2 TYR A 26 7.384 -20.468 13.166 1.00 0.00 C ATOM 413 CZ TYR A 26 6.398 -20.236 14.134 1.00 0.00 C ATOM 414 OH TYR A 26 6.349 -21.020 15.269 1.00 0.00 O ATOM 0 H TYR A 26 6.229 -20.233 9.666 1.00 0.00 H new ATOM 0 HA TYR A 26 4.515 -17.775 9.846 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.535 -17.861 10.131 1.00 0.00 H new ATOM 0 HB3 TYR A 26 6.400 -16.741 10.858 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.793 -17.624 12.657 1.00 0.00 H new ATOM 0 HD2 TYR A 26 8.193 -19.850 11.269 1.00 0.00 H new ATOM 0 HE1 TYR A 26 4.701 -19.033 14.697 1.00 0.00 H new ATOM 0 HE2 TYR A 26 8.105 -21.260 13.307 1.00 0.00 H new ATOM 0 HH TYR A 26 7.068 -21.685 15.239 1.00 0.00 H new ATOM 424 N ILE A 27 6.445 -16.677 8.051 1.00 0.00 N ATOM 425 CA ILE A 27 6.904 -16.211 6.711 1.00 0.00 C ATOM 426 C ILE A 27 8.391 -16.557 6.576 1.00 0.00 C ATOM 427 O ILE A 27 9.049 -16.849 7.555 1.00 0.00 O ATOM 428 CB ILE A 27 6.702 -14.681 6.597 1.00 0.00 C ATOM 429 CG1 ILE A 27 5.525 -14.237 7.486 1.00 0.00 C ATOM 430 CG2 ILE A 27 6.410 -14.293 5.142 1.00 0.00 C ATOM 431 CD1 ILE A 27 4.280 -15.105 7.239 1.00 0.00 C ATOM 0 H ILE A 27 6.606 -16.018 8.813 1.00 0.00 H new ATOM 0 HA ILE A 27 6.332 -16.695 5.919 1.00 0.00 H new ATOM 0 HB ILE A 27 7.615 -14.185 6.927 1.00 0.00 H new ATOM 0 HG12 ILE A 27 5.814 -14.302 8.535 1.00 0.00 H new ATOM 0 HG13 ILE A 27 5.288 -13.192 7.285 1.00 0.00 H new ATOM 0 HG21 ILE A 27 6.270 -13.214 5.074 1.00 0.00 H new ATOM 0 HG22 ILE A 27 7.248 -14.590 4.511 1.00 0.00 H new ATOM 0 HG23 ILE A 27 5.505 -14.798 4.805 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.467 -14.766 7.881 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.978 -15.019 6.195 1.00 0.00 H new ATOM 0 HD13 ILE A 27 4.511 -16.146 7.465 1.00 0.00 H new ATOM 443 N GLY A 28 8.919 -16.542 5.379 1.00 0.00 N ATOM 444 CA GLY A 28 10.365 -16.882 5.182 1.00 0.00 C ATOM 445 C GLY A 28 11.215 -16.271 6.304 1.00 0.00 C ATOM 446 O GLY A 28 12.193 -16.846 6.737 1.00 0.00 O ATOM 0 H GLY A 28 8.411 -16.309 4.526 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.492 -17.964 5.169 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.705 -16.509 4.216 1.00 0.00 H new ATOM 450 N TRP A 29 10.848 -15.109 6.775 1.00 0.00 N ATOM 451 CA TRP A 29 11.632 -14.459 7.866 1.00 0.00 C ATOM 452 C TRP A 29 11.387 -15.200 9.193 1.00 0.00 C ATOM 453 O TRP A 29 11.055 -14.610 10.202 1.00 0.00 O ATOM 454 CB TRP A 29 11.196 -12.992 7.981 1.00 0.00 C ATOM 455 CG TRP A 29 11.799 -12.363 9.199 1.00 0.00 C ATOM 456 CD1 TRP A 29 13.121 -12.164 9.407 1.00 0.00 C ATOM 457 CD2 TRP A 29 11.116 -11.854 10.380 1.00 0.00 C ATOM 458 NE1 TRP A 29 13.292 -11.565 10.643 1.00 0.00 N ATOM 459 CE2 TRP A 29 12.085 -11.353 11.280 1.00 0.00 C ATOM 460 CE3 TRP A 29 9.762 -11.779 10.753 1.00 0.00 C ATOM 461 CZ2 TRP A 29 11.724 -10.798 12.507 1.00 0.00 C ATOM 462 CZ3 TRP A 29 9.395 -11.220 11.988 1.00 0.00 C ATOM 463 CH2 TRP A 29 10.374 -10.731 12.864 1.00 0.00 C ATOM 0 H TRP A 29 10.038 -14.581 6.451 1.00 0.00 H new ATOM 0 HA TRP A 29 12.697 -14.502 7.640 1.00 0.00 H new ATOM 0 HB2 TRP A 29 11.503 -12.444 7.091 1.00 0.00 H new ATOM 0 HB3 TRP A 29 10.109 -12.932 8.033 1.00 0.00 H new ATOM 0 HD1 TRP A 29 13.912 -12.429 8.722 1.00 0.00 H new ATOM 0 HE1 TRP A 29 14.199 -11.311 11.035 1.00 0.00 H new ATOM 0 HE3 TRP A 29 9.000 -12.154 10.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 12.483 -10.422 13.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 8.352 -11.167 12.264 1.00 0.00 H new ATOM 0 HH2 TRP A 29 10.086 -10.303 13.813 1.00 0.00 H new ATOM 474 N CYS A 30 11.536 -16.497 9.194 1.00 0.00 N ATOM 475 CA CYS A 30 11.298 -17.263 10.456 1.00 0.00 C ATOM 476 C CYS A 30 12.533 -17.095 11.373 1.00 0.00 C ATOM 477 O CYS A 30 13.654 -17.140 10.908 1.00 0.00 O ATOM 478 CB CYS A 30 11.061 -18.751 10.132 1.00 0.00 C ATOM 479 SG CYS A 30 11.910 -19.196 8.597 1.00 0.00 S ATOM 0 H CYS A 30 11.809 -17.057 8.386 1.00 0.00 H new ATOM 0 HA CYS A 30 10.412 -16.883 10.965 1.00 0.00 H new ATOM 0 HB2 CYS A 30 11.424 -19.372 10.951 1.00 0.00 H new ATOM 0 HB3 CYS A 30 9.993 -18.944 10.035 1.00 0.00 H new ATOM 484 N PRO A 31 12.336 -16.864 12.661 1.00 0.00 N ATOM 485 CA PRO A 31 13.468 -16.646 13.621 1.00 0.00 C ATOM 486 C PRO A 31 14.289 -17.916 13.895 1.00 0.00 C ATOM 487 O PRO A 31 14.861 -18.066 14.956 1.00 0.00 O ATOM 488 CB PRO A 31 12.769 -16.167 14.907 1.00 0.00 C ATOM 489 CG PRO A 31 11.390 -16.736 14.831 1.00 0.00 C ATOM 490 CD PRO A 31 11.029 -16.785 13.346 1.00 0.00 C ATOM 0 HA PRO A 31 14.192 -15.937 13.220 1.00 0.00 H new ATOM 0 HB2 PRO A 31 13.293 -16.519 15.796 1.00 0.00 H new ATOM 0 HB3 PRO A 31 12.745 -15.079 14.961 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.355 -17.732 15.273 1.00 0.00 H new ATOM 0 HG3 PRO A 31 10.683 -16.117 15.383 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.405 -17.649 13.116 1.00 0.00 H new ATOM 0 HD3 PRO A 31 10.472 -15.899 13.041 1.00 0.00 H new ATOM 498 N PHE A 32 14.361 -18.820 12.949 1.00 0.00 N ATOM 499 CA PHE A 32 15.157 -20.075 13.152 1.00 0.00 C ATOM 500 C PHE A 32 16.313 -20.100 12.150 1.00 0.00 C ATOM 501 O PHE A 32 17.168 -20.962 12.189 1.00 0.00 O ATOM 502 CB PHE A 32 14.254 -21.291 12.935 1.00 0.00 C ATOM 503 CG PHE A 32 13.277 -21.399 14.088 1.00 0.00 C ATOM 504 CD1 PHE A 32 13.744 -21.674 15.380 1.00 0.00 C ATOM 505 CD2 PHE A 32 11.905 -21.221 13.868 1.00 0.00 C ATOM 506 CE1 PHE A 32 12.843 -21.771 16.448 1.00 0.00 C ATOM 507 CE2 PHE A 32 11.003 -21.321 14.935 1.00 0.00 C ATOM 508 CZ PHE A 32 11.472 -21.595 16.225 1.00 0.00 C ATOM 0 H PHE A 32 13.902 -18.744 12.041 1.00 0.00 H new ATOM 0 HA PHE A 32 15.555 -20.103 14.167 1.00 0.00 H new ATOM 0 HB2 PHE A 32 13.714 -21.194 11.993 1.00 0.00 H new ATOM 0 HB3 PHE A 32 14.855 -22.198 12.866 1.00 0.00 H new ATOM 0 HD1 PHE A 32 14.801 -21.812 15.553 1.00 0.00 H new ATOM 0 HD2 PHE A 32 11.542 -21.006 12.874 1.00 0.00 H new ATOM 0 HE1 PHE A 32 13.206 -21.981 17.443 1.00 0.00 H new ATOM 0 HE2 PHE A 32 9.945 -21.187 14.762 1.00 0.00 H new ATOM 0 HZ PHE A 32 10.777 -21.671 17.048 1.00 0.00 H new ATOM 518 N TRP A 33 16.349 -19.147 11.260 1.00 0.00 N ATOM 519 CA TRP A 33 17.449 -19.094 10.255 1.00 0.00 C ATOM 520 C TRP A 33 18.710 -18.530 10.916 1.00 0.00 C ATOM 521 O TRP A 33 19.778 -18.708 10.356 1.00 0.00 O ATOM 522 CB TRP A 33 17.020 -18.180 9.098 1.00 0.00 C ATOM 523 CG TRP A 33 16.098 -18.914 8.175 1.00 0.00 C ATOM 524 CD1 TRP A 33 15.387 -20.011 8.504 1.00 0.00 C ATOM 525 CD2 TRP A 33 15.772 -18.617 6.786 1.00 0.00 C ATOM 526 NE1 TRP A 33 14.653 -20.420 7.406 1.00 0.00 N ATOM 527 CE2 TRP A 33 14.854 -19.591 6.320 1.00 0.00 C ATOM 528 CE3 TRP A 33 16.181 -17.611 5.893 1.00 0.00 C ATOM 529 CZ2 TRP A 33 14.362 -19.565 5.015 1.00 0.00 C ATOM 530 CZ3 TRP A 33 15.687 -17.583 4.579 1.00 0.00 C ATOM 531 CH2 TRP A 33 14.780 -18.558 4.141 1.00 0.00 C ATOM 532 OXT TRP A 33 18.584 -17.929 11.971 1.00 0.00 O ATOM 0 H TRP A 33 15.660 -18.398 11.185 1.00 0.00 H new ATOM 0 HA TRP A 33 17.658 -20.094 9.875 1.00 0.00 H new ATOM 0 HB2 TRP A 33 16.523 -17.293 9.491 1.00 0.00 H new ATOM 0 HB3 TRP A 33 17.898 -17.838 8.550 1.00 0.00 H new ATOM 0 HD1 TRP A 33 15.390 -20.493 9.470 1.00 0.00 H new ATOM 0 HE1 TRP A 33 14.038 -21.234 7.399 1.00 0.00 H new ATOM 0 HE3 TRP A 33 16.880 -16.855 6.220 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 13.663 -20.318 4.682 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 16.008 -16.805 3.902 1.00 0.00 H new ATOM 0 HH2 TRP A 33 14.405 -18.531 3.129 1.00 0.00 H new TER 543 TRP A 33