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= -0.203 X(o=-0.2,f=-0.27) USER MOD Single : A 1 ASN N :NH3+ 169:sc=-0.000287 (180deg=-0.141) USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 11 LYS NZ :NH3+ 142:sc= -0.297 (180deg=-1.47!) USER MOD Single : A 14 GLN : amide:sc= -1.12 K(o=-1.1,f=-0.28) USER MOD Single : A 15 GLN : amide:sc= -0.192 X(o=-0.19,f=-0.2) USER MOD Single : A 17 THR OG1 : rot 66:sc= 1.11 USER MOD Single : A 18 SER OG : rot -74:sc= -0.282! USER MOD Single : A 24 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.12) USER MOD Single : A 25 HIS : no HD1:sc= -3.61! C(o=-3.6!,f=-5.6!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 41.507 -43.906 15.362 1.00 0.00 N ATOM 2 CA ASN A 1 41.385 -42.693 14.503 1.00 0.00 C ATOM 3 C ASN A 1 40.546 -41.641 15.230 1.00 0.00 C ATOM 4 O ASN A 1 39.784 -40.914 14.625 1.00 0.00 O ATOM 5 CB ASN A 1 40.706 -43.067 13.185 1.00 0.00 C ATOM 6 CG ASN A 1 40.892 -41.933 12.175 1.00 0.00 C ATOM 7 OD1 ASN A 1 42.004 -41.579 11.841 1.00 0.00 O ATOM 8 ND2 ASN A 1 39.841 -41.347 11.672 1.00 0.00 N ATOM 0 H1 ASN A 1 41.912 -44.686 14.806 1.00 0.00 H new ATOM 0 H2 ASN A 1 42.128 -43.698 16.170 1.00 0.00 H new ATOM 0 H3 ASN A 1 40.566 -44.181 15.710 1.00 0.00 H new ATOM 0 HA ASN A 1 42.377 -42.290 14.297 1.00 0.00 H new ATOM 0 HB2 ASN A 1 41.132 -43.991 12.793 1.00 0.00 H new ATOM 0 HB3 ASN A 1 39.644 -43.251 13.350 1.00 0.00 H new ATOM 0 HD21 ASN A 1 39.953 -40.590 10.997 1.00 0.00 H new ATOM 0 HD22 ASN A 1 38.907 -41.645 11.953 1.00 0.00 H new ATOM 17 N GLU A 2 40.680 -41.553 16.525 1.00 0.00 N ATOM 18 CA GLU A 2 39.890 -40.549 17.292 1.00 0.00 C ATOM 19 C GLU A 2 38.408 -40.678 16.926 1.00 0.00 C ATOM 20 O GLU A 2 37.924 -41.756 16.644 1.00 0.00 O ATOM 21 CB GLU A 2 40.389 -39.144 16.952 1.00 0.00 C ATOM 22 CG GLU A 2 41.862 -39.022 17.344 1.00 0.00 C ATOM 23 CD GLU A 2 42.723 -39.807 16.353 1.00 0.00 C ATOM 24 OE1 GLU A 2 42.550 -39.606 15.161 1.00 0.00 O ATOM 25 OE2 GLU A 2 43.540 -40.593 16.800 1.00 0.00 O ATOM 0 H GLU A 2 41.303 -42.134 17.086 1.00 0.00 H new ATOM 0 HA GLU A 2 40.011 -40.725 18.361 1.00 0.00 H new ATOM 0 HB2 GLU A 2 40.267 -38.950 15.886 1.00 0.00 H new ATOM 0 HB3 GLU A 2 39.797 -38.397 17.481 1.00 0.00 H new ATOM 0 HG2 GLU A 2 42.161 -37.974 17.351 1.00 0.00 H new ATOM 0 HG3 GLU A 2 42.013 -39.403 18.354 1.00 0.00 H new ATOM 32 N LEU A 3 37.678 -39.590 16.933 1.00 0.00 N ATOM 33 CA LEU A 3 36.227 -39.661 16.591 1.00 0.00 C ATOM 34 C LEU A 3 36.047 -39.417 15.090 1.00 0.00 C ATOM 35 O LEU A 3 36.837 -38.740 14.463 1.00 0.00 O ATOM 36 CB LEU A 3 35.443 -38.596 17.378 1.00 0.00 C ATOM 37 CG LEU A 3 35.900 -38.537 18.855 1.00 0.00 C ATOM 38 CD1 LEU A 3 36.055 -39.957 19.421 1.00 0.00 C ATOM 39 CD2 LEU A 3 37.237 -37.773 19.003 1.00 0.00 C ATOM 0 H LEU A 3 38.025 -38.658 17.161 1.00 0.00 H new ATOM 0 HA LEU A 3 35.848 -40.648 16.854 1.00 0.00 H new ATOM 0 HB2 LEU A 3 35.584 -37.620 16.913 1.00 0.00 H new ATOM 0 HB3 LEU A 3 34.377 -38.820 17.334 1.00 0.00 H new ATOM 0 HG LEU A 3 35.134 -38.001 19.416 1.00 0.00 H new ATOM 0 HD11 LEU A 3 36.377 -39.901 20.461 1.00 0.00 H new ATOM 0 HD12 LEU A 3 35.099 -40.478 19.365 1.00 0.00 H new ATOM 0 HD13 LEU A 3 36.799 -40.501 18.840 1.00 0.00 H new ATOM 0 HD21 LEU A 3 37.529 -37.750 20.053 1.00 0.00 H new ATOM 0 HD22 LEU A 3 38.010 -38.276 18.422 1.00 0.00 H new ATOM 0 HD23 LEU A 3 37.116 -36.753 18.638 1.00 0.00 H new ATOM 51 N ASP A 4 35.012 -39.962 14.511 1.00 0.00 N ATOM 52 CA ASP A 4 34.783 -39.759 13.052 1.00 0.00 C ATOM 53 C ASP A 4 33.409 -40.313 12.669 1.00 0.00 C ATOM 54 O ASP A 4 33.294 -41.169 11.814 1.00 0.00 O ATOM 55 CB ASP A 4 35.867 -40.488 12.256 1.00 0.00 C ATOM 56 CG ASP A 4 35.765 -41.992 12.512 1.00 0.00 C ATOM 57 OD1 ASP A 4 35.417 -42.363 13.621 1.00 0.00 O ATOM 58 OD2 ASP A 4 36.037 -42.750 11.594 1.00 0.00 O ATOM 0 H ASP A 4 34.316 -40.538 14.984 1.00 0.00 H new ATOM 0 HA ASP A 4 34.822 -38.694 12.825 1.00 0.00 H new ATOM 0 HB2 ASP A 4 35.753 -40.281 11.192 1.00 0.00 H new ATOM 0 HB3 ASP A 4 36.853 -40.125 12.547 1.00 0.00 H new ATOM 63 N VAL A 5 32.365 -39.829 13.300 1.00 0.00 N ATOM 64 CA VAL A 5 30.981 -40.311 12.994 1.00 0.00 C ATOM 65 C VAL A 5 30.125 -39.108 12.557 1.00 0.00 C ATOM 66 O VAL A 5 30.415 -37.981 12.908 1.00 0.00 O ATOM 67 CB VAL A 5 30.381 -40.946 14.267 1.00 0.00 C ATOM 68 CG1 VAL A 5 30.691 -42.447 14.303 1.00 0.00 C ATOM 69 CG2 VAL A 5 30.986 -40.280 15.508 1.00 0.00 C ATOM 0 H VAL A 5 32.415 -39.111 14.023 1.00 0.00 H new ATOM 0 HA VAL A 5 31.003 -41.053 12.195 1.00 0.00 H new ATOM 0 HB VAL A 5 29.301 -40.800 14.258 1.00 0.00 H new ATOM 0 HG11 VAL A 5 30.263 -42.885 15.205 1.00 0.00 H new ATOM 0 HG12 VAL A 5 30.259 -42.929 13.426 1.00 0.00 H new ATOM 0 HG13 VAL A 5 31.771 -42.596 14.304 1.00 0.00 H new ATOM 0 HG21 VAL A 5 30.561 -40.729 16.406 1.00 0.00 H new ATOM 0 HG22 VAL A 5 32.067 -40.423 15.507 1.00 0.00 H new ATOM 0 HG23 VAL A 5 30.761 -39.214 15.495 1.00 0.00 H new ATOM 79 N PRO A 6 29.079 -39.341 11.798 1.00 0.00 N ATOM 80 CA PRO A 6 28.180 -38.248 11.319 1.00 0.00 C ATOM 81 C PRO A 6 27.337 -37.657 12.457 1.00 0.00 C ATOM 82 O PRO A 6 26.238 -37.183 12.246 1.00 0.00 O ATOM 83 CB PRO A 6 27.284 -38.942 10.278 1.00 0.00 C ATOM 84 CG PRO A 6 27.273 -40.384 10.679 1.00 0.00 C ATOM 85 CD PRO A 6 28.638 -40.663 11.314 1.00 0.00 C ATOM 0 HA PRO A 6 28.740 -37.406 10.912 1.00 0.00 H new ATOM 0 HB2 PRO A 6 26.278 -38.523 10.281 1.00 0.00 H new ATOM 0 HB3 PRO A 6 27.679 -38.815 9.270 1.00 0.00 H new ATOM 0 HG2 PRO A 6 26.467 -40.585 11.385 1.00 0.00 H new ATOM 0 HG3 PRO A 6 27.107 -41.027 9.814 1.00 0.00 H new ATOM 0 HD2 PRO A 6 28.560 -41.382 12.130 1.00 0.00 H new ATOM 0 HD3 PRO A 6 29.339 -41.078 10.589 1.00 0.00 H new ATOM 93 N GLU A 7 27.845 -37.675 13.659 1.00 0.00 N ATOM 94 CA GLU A 7 27.073 -37.109 14.798 1.00 0.00 C ATOM 95 C GLU A 7 26.820 -35.623 14.540 1.00 0.00 C ATOM 96 O GLU A 7 25.770 -35.096 14.852 1.00 0.00 O ATOM 97 CB GLU A 7 27.867 -37.281 16.097 1.00 0.00 C ATOM 98 CG GLU A 7 29.294 -36.760 15.904 1.00 0.00 C ATOM 99 CD GLU A 7 30.105 -37.015 17.175 1.00 0.00 C ATOM 100 OE1 GLU A 7 29.597 -37.693 18.054 1.00 0.00 O ATOM 101 OE2 GLU A 7 31.222 -36.530 17.248 1.00 0.00 O ATOM 0 H GLU A 7 28.760 -38.057 13.900 1.00 0.00 H new ATOM 0 HA GLU A 7 26.121 -37.632 14.892 1.00 0.00 H new ATOM 0 HB2 GLU A 7 27.379 -36.740 16.907 1.00 0.00 H new ATOM 0 HB3 GLU A 7 27.889 -38.332 16.384 1.00 0.00 H new ATOM 0 HG2 GLU A 7 29.763 -37.257 15.055 1.00 0.00 H new ATOM 0 HG3 GLU A 7 29.276 -35.694 15.679 1.00 0.00 H new ATOM 108 N GLN A 8 27.776 -34.948 13.966 1.00 0.00 N ATOM 109 CA GLN A 8 27.597 -33.503 13.677 1.00 0.00 C ATOM 110 C GLN A 8 26.603 -33.340 12.525 1.00 0.00 C ATOM 111 O GLN A 8 25.576 -32.706 12.665 1.00 0.00 O ATOM 112 CB GLN A 8 28.945 -32.893 13.297 1.00 0.00 C ATOM 113 CG GLN A 8 30.040 -33.473 14.196 1.00 0.00 C ATOM 114 CD GLN A 8 31.318 -32.647 14.041 1.00 0.00 C ATOM 115 OE1 GLN A 8 31.556 -32.063 13.002 1.00 0.00 O ATOM 116 NE2 GLN A 8 32.157 -32.573 15.038 1.00 0.00 N ATOM 0 H GLN A 8 28.675 -35.338 13.685 1.00 0.00 H new ATOM 0 HA GLN A 8 27.211 -32.992 14.559 1.00 0.00 H new ATOM 0 HB2 GLN A 8 29.169 -33.103 12.251 1.00 0.00 H new ATOM 0 HB3 GLN A 8 28.909 -31.809 13.404 1.00 0.00 H new ATOM 0 HG2 GLN A 8 29.713 -33.466 15.236 1.00 0.00 H new ATOM 0 HG3 GLN A 8 30.232 -34.512 13.929 1.00 0.00 H new ATOM 0 HE21 GLN A 8 31.957 -33.063 15.910 1.00 0.00 H new ATOM 0 HE22 GLN A 8 33.012 -32.025 14.945 1.00 0.00 H new ATOM 125 N VAL A 9 26.905 -33.909 11.387 1.00 0.00 N ATOM 126 CA VAL A 9 25.984 -33.797 10.217 1.00 0.00 C ATOM 127 C VAL A 9 24.545 -34.037 10.678 1.00 0.00 C ATOM 128 O VAL A 9 23.598 -33.621 10.039 1.00 0.00 O ATOM 129 CB VAL A 9 26.371 -34.846 9.169 1.00 0.00 C ATOM 130 CG1 VAL A 9 25.317 -34.887 8.060 1.00 0.00 C ATOM 131 CG2 VAL A 9 27.730 -34.482 8.566 1.00 0.00 C ATOM 0 H VAL A 9 27.754 -34.449 11.217 1.00 0.00 H new ATOM 0 HA VAL A 9 26.061 -32.801 9.781 1.00 0.00 H new ATOM 0 HB VAL A 9 26.429 -35.825 9.644 1.00 0.00 H new ATOM 0 HG11 VAL A 9 25.598 -35.635 7.318 1.00 0.00 H new ATOM 0 HG12 VAL A 9 24.349 -35.146 8.488 1.00 0.00 H new ATOM 0 HG13 VAL A 9 25.253 -33.909 7.583 1.00 0.00 H new ATOM 0 HG21 VAL A 9 28.008 -35.226 7.820 1.00 0.00 H new ATOM 0 HG22 VAL A 9 27.668 -33.501 8.094 1.00 0.00 H new ATOM 0 HG23 VAL A 9 28.483 -34.459 9.354 1.00 0.00 H new ATOM 141 N ASP A 10 24.375 -34.696 11.791 1.00 0.00 N ATOM 142 CA ASP A 10 22.999 -34.951 12.299 1.00 0.00 C ATOM 143 C ASP A 10 22.333 -33.608 12.602 1.00 0.00 C ATOM 144 O ASP A 10 21.409 -33.203 11.925 1.00 0.00 O ATOM 145 CB ASP A 10 23.070 -35.790 13.576 1.00 0.00 C ATOM 146 CG ASP A 10 21.681 -36.341 13.903 1.00 0.00 C ATOM 147 OD1 ASP A 10 20.711 -35.715 13.510 1.00 0.00 O ATOM 148 OD2 ASP A 10 21.612 -37.377 14.542 1.00 0.00 O ATOM 0 H ASP A 10 25.128 -35.068 12.369 1.00 0.00 H new ATOM 0 HA ASP A 10 22.420 -35.493 11.551 1.00 0.00 H new ATOM 0 HB2 ASP A 10 23.777 -36.610 13.446 1.00 0.00 H new ATOM 0 HB3 ASP A 10 23.436 -35.182 14.403 1.00 0.00 H new ATOM 153 N LYS A 11 22.793 -32.930 13.631 1.00 0.00 N ATOM 154 CA LYS A 11 22.201 -31.605 14.017 1.00 0.00 C ATOM 155 C LYS A 11 21.766 -30.833 12.763 1.00 0.00 C ATOM 156 O LYS A 11 20.727 -30.204 12.742 1.00 0.00 O ATOM 157 CB LYS A 11 23.239 -30.769 14.791 1.00 0.00 C ATOM 158 CG LYS A 11 23.427 -31.308 16.237 1.00 0.00 C ATOM 159 CD LYS A 11 24.655 -32.237 16.311 1.00 0.00 C ATOM 160 CE LYS A 11 25.938 -31.412 16.492 1.00 0.00 C ATOM 161 NZ LYS A 11 25.808 -30.531 17.687 1.00 0.00 N ATOM 0 H LYS A 11 23.561 -33.242 14.225 1.00 0.00 H new ATOM 0 HA LYS A 11 21.332 -31.785 14.650 1.00 0.00 H new ATOM 0 HB2 LYS A 11 24.193 -30.791 14.265 1.00 0.00 H new ATOM 0 HB3 LYS A 11 22.918 -29.728 14.827 1.00 0.00 H new ATOM 0 HG2 LYS A 11 23.552 -30.475 16.929 1.00 0.00 H new ATOM 0 HG3 LYS A 11 22.534 -31.850 16.548 1.00 0.00 H new ATOM 0 HD2 LYS A 11 24.543 -32.934 17.141 1.00 0.00 H new ATOM 0 HD3 LYS A 11 24.723 -32.834 15.401 1.00 0.00 H new ATOM 0 HE2 LYS A 11 26.794 -32.076 16.610 1.00 0.00 H new ATOM 0 HE3 LYS A 11 26.122 -30.809 15.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 26.720 -30.486 18.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 25.531 -29.575 17.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 25.083 -30.917 18.325 1.00 0.00 H new ATOM 175 N LEU A 12 22.542 -30.893 11.714 1.00 0.00 N ATOM 176 CA LEU A 12 22.154 -30.181 10.468 1.00 0.00 C ATOM 177 C LEU A 12 20.837 -30.778 9.962 1.00 0.00 C ATOM 178 O LEU A 12 19.875 -30.073 9.725 1.00 0.00 O ATOM 179 CB LEU A 12 23.266 -30.346 9.414 1.00 0.00 C ATOM 180 CG LEU A 12 24.300 -29.201 9.520 1.00 0.00 C ATOM 181 CD1 LEU A 12 23.730 -27.897 8.933 1.00 0.00 C ATOM 182 CD2 LEU A 12 24.696 -28.975 10.992 1.00 0.00 C ATOM 0 H LEU A 12 23.424 -31.403 11.668 1.00 0.00 H new ATOM 0 HA LEU A 12 22.020 -29.116 10.660 1.00 0.00 H new ATOM 0 HB2 LEU A 12 23.764 -31.306 9.552 1.00 0.00 H new ATOM 0 HB3 LEU A 12 22.828 -30.355 8.416 1.00 0.00 H new ATOM 0 HG LEU A 12 25.183 -29.487 8.949 1.00 0.00 H new ATOM 0 HD11 LEU A 12 24.473 -27.104 9.018 1.00 0.00 H new ATOM 0 HD12 LEU A 12 23.480 -28.049 7.883 1.00 0.00 H new ATOM 0 HD13 LEU A 12 22.832 -27.613 9.482 1.00 0.00 H new ATOM 0 HD21 LEU A 12 25.424 -28.166 11.053 1.00 0.00 H new ATOM 0 HD22 LEU A 12 23.811 -28.710 11.570 1.00 0.00 H new ATOM 0 HD23 LEU A 12 25.133 -29.888 11.395 1.00 0.00 H new ATOM 194 N ILE A 13 20.779 -32.073 9.813 1.00 0.00 N ATOM 195 CA ILE A 13 19.515 -32.702 9.345 1.00 0.00 C ATOM 196 C ILE A 13 18.389 -32.255 10.277 1.00 0.00 C ATOM 197 O ILE A 13 17.363 -31.768 9.845 1.00 0.00 O ATOM 198 CB ILE A 13 19.648 -34.225 9.388 1.00 0.00 C ATOM 199 CG1 ILE A 13 20.674 -34.675 8.344 1.00 0.00 C ATOM 200 CG2 ILE A 13 18.295 -34.866 9.076 1.00 0.00 C ATOM 201 CD1 ILE A 13 21.016 -36.149 8.566 1.00 0.00 C ATOM 0 H ILE A 13 21.548 -32.718 9.994 1.00 0.00 H new ATOM 0 HA ILE A 13 19.300 -32.400 8.320 1.00 0.00 H new ATOM 0 HB ILE A 13 19.976 -34.532 10.381 1.00 0.00 H new ATOM 0 HG12 ILE A 13 20.274 -34.531 7.340 1.00 0.00 H new ATOM 0 HG13 ILE A 13 21.575 -34.066 8.419 1.00 0.00 H new ATOM 0 HG21 ILE A 13 18.391 -35.951 9.107 1.00 0.00 H new ATOM 0 HG22 ILE A 13 17.561 -34.545 9.816 1.00 0.00 H new ATOM 0 HG23 ILE A 13 17.967 -34.559 8.083 1.00 0.00 H new ATOM 0 HD11 ILE A 13 21.746 -36.469 7.823 1.00 0.00 H new ATOM 0 HD12 ILE A 13 21.433 -36.279 9.564 1.00 0.00 H new ATOM 0 HD13 ILE A 13 20.112 -36.751 8.469 1.00 0.00 H new ATOM 213 N GLN A 14 18.584 -32.409 11.558 1.00 0.00 N ATOM 214 CA GLN A 14 17.543 -31.988 12.531 1.00 0.00 C ATOM 215 C GLN A 14 17.287 -30.485 12.372 1.00 0.00 C ATOM 216 O GLN A 14 16.161 -30.044 12.268 1.00 0.00 O ATOM 217 CB GLN A 14 18.037 -32.281 13.951 1.00 0.00 C ATOM 218 CG GLN A 14 17.888 -33.775 14.248 1.00 0.00 C ATOM 219 CD GLN A 14 16.406 -34.115 14.418 1.00 0.00 C ATOM 220 OE1 GLN A 14 15.951 -35.144 13.962 1.00 0.00 O ATOM 221 NE2 GLN A 14 15.628 -33.288 15.062 1.00 0.00 N ATOM 0 H GLN A 14 19.425 -32.811 11.972 1.00 0.00 H new ATOM 0 HA GLN A 14 16.618 -32.535 12.349 1.00 0.00 H new ATOM 0 HB2 GLN A 14 19.080 -31.982 14.053 1.00 0.00 H new ATOM 0 HB3 GLN A 14 17.466 -31.698 14.673 1.00 0.00 H new ATOM 0 HG2 GLN A 14 18.316 -34.363 13.436 1.00 0.00 H new ATOM 0 HG3 GLN A 14 18.438 -34.034 15.153 1.00 0.00 H new ATOM 0 HE21 GLN A 14 16.009 -32.423 15.446 1.00 0.00 H new ATOM 0 HE22 GLN A 14 14.639 -33.507 15.182 1.00 0.00 H new ATOM 230 N GLN A 15 18.330 -29.698 12.350 1.00 0.00 N ATOM 231 CA GLN A 15 18.155 -28.225 12.194 1.00 0.00 C ATOM 232 C GLN A 15 17.481 -27.934 10.852 1.00 0.00 C ATOM 233 O GLN A 15 16.403 -27.376 10.799 1.00 0.00 O ATOM 234 CB GLN A 15 19.526 -27.545 12.238 1.00 0.00 C ATOM 235 CG GLN A 15 20.036 -27.512 13.680 1.00 0.00 C ATOM 236 CD GLN A 15 19.249 -26.469 14.477 1.00 0.00 C ATOM 237 OE1 GLN A 15 19.360 -25.285 14.224 1.00 0.00 O ATOM 238 NE2 GLN A 15 18.454 -26.860 15.435 1.00 0.00 N ATOM 0 H GLN A 15 19.297 -30.013 12.433 1.00 0.00 H new ATOM 0 HA GLN A 15 17.533 -27.841 13.003 1.00 0.00 H new ATOM 0 HB2 GLN A 15 20.231 -28.084 11.604 1.00 0.00 H new ATOM 0 HB3 GLN A 15 19.453 -26.531 11.844 1.00 0.00 H new ATOM 0 HG2 GLN A 15 19.925 -28.495 14.138 1.00 0.00 H new ATOM 0 HG3 GLN A 15 21.099 -27.271 13.695 1.00 0.00 H new ATOM 0 HE21 GLN A 15 18.361 -27.853 15.647 1.00 0.00 H new ATOM 0 HE22 GLN A 15 17.926 -26.172 15.972 1.00 0.00 H new ATOM 247 N ALA A 16 18.102 -28.311 9.766 1.00 0.00 N ATOM 248 CA ALA A 16 17.481 -28.057 8.436 1.00 0.00 C ATOM 249 C ALA A 16 16.073 -28.649 8.428 1.00 0.00 C ATOM 250 O ALA A 16 15.171 -28.128 7.804 1.00 0.00 O ATOM 251 CB ALA A 16 18.321 -28.713 7.340 1.00 0.00 C ATOM 0 H ALA A 16 19.007 -28.781 9.743 1.00 0.00 H new ATOM 0 HA ALA A 16 17.433 -26.984 8.250 1.00 0.00 H new ATOM 0 HB1 ALA A 16 17.863 -28.525 6.369 1.00 0.00 H new ATOM 0 HB2 ALA A 16 19.328 -28.295 7.354 1.00 0.00 H new ATOM 0 HB3 ALA A 16 18.372 -29.788 7.515 1.00 0.00 H new ATOM 257 N THR A 17 15.875 -29.723 9.142 1.00 0.00 N ATOM 258 CA THR A 17 14.520 -30.333 9.201 1.00 0.00 C ATOM 259 C THR A 17 13.623 -29.397 10.003 1.00 0.00 C ATOM 260 O THR A 17 12.561 -29.005 9.564 1.00 0.00 O ATOM 261 CB THR A 17 14.597 -31.700 9.890 1.00 0.00 C ATOM 262 OG1 THR A 17 15.212 -32.635 9.016 1.00 0.00 O ATOM 263 CG2 THR A 17 13.189 -32.186 10.249 1.00 0.00 C ATOM 0 H THR A 17 16.593 -30.203 9.686 1.00 0.00 H new ATOM 0 HA THR A 17 14.120 -30.475 8.197 1.00 0.00 H new ATOM 0 HB THR A 17 15.186 -31.608 10.803 1.00 0.00 H new ATOM 0 HG1 THR A 17 16.147 -32.379 8.869 1.00 0.00 H new ATOM 0 HG21 THR A 17 13.253 -33.158 10.738 1.00 0.00 H new ATOM 0 HG22 THR A 17 12.718 -31.471 10.923 1.00 0.00 H new ATOM 0 HG23 THR A 17 12.592 -32.275 9.341 1.00 0.00 H new ATOM 271 N SER A 18 14.048 -29.036 11.184 1.00 0.00 N ATOM 272 CA SER A 18 13.232 -28.120 12.026 1.00 0.00 C ATOM 273 C SER A 18 12.731 -26.952 11.166 1.00 0.00 C ATOM 274 O SER A 18 11.576 -26.905 10.794 1.00 0.00 O ATOM 275 CB SER A 18 14.092 -27.592 13.178 1.00 0.00 C ATOM 276 OG SER A 18 15.012 -26.629 12.682 1.00 0.00 O ATOM 0 H SER A 18 14.928 -29.338 11.601 1.00 0.00 H new ATOM 0 HA SER A 18 12.376 -28.656 12.435 1.00 0.00 H new ATOM 0 HB2 SER A 18 13.458 -27.144 13.943 1.00 0.00 H new ATOM 0 HB3 SER A 18 14.630 -28.414 13.651 1.00 0.00 H new ATOM 0 HG SER A 18 15.720 -27.082 12.179 1.00 0.00 H new ATOM 282 N ILE A 19 13.592 -26.018 10.844 1.00 0.00 N ATOM 283 CA ILE A 19 13.201 -24.845 10.005 1.00 0.00 C ATOM 284 C ILE A 19 12.154 -25.241 8.947 1.00 0.00 C ATOM 285 O ILE A 19 11.114 -24.627 8.841 1.00 0.00 O ATOM 286 CB ILE A 19 14.489 -24.308 9.329 1.00 0.00 C ATOM 287 CG1 ILE A 19 15.208 -23.337 10.273 1.00 0.00 C ATOM 288 CG2 ILE A 19 14.172 -23.565 8.025 1.00 0.00 C ATOM 289 CD1 ILE A 19 15.650 -24.063 11.544 1.00 0.00 C ATOM 0 H ILE A 19 14.570 -26.021 11.134 1.00 0.00 H new ATOM 0 HA ILE A 19 12.744 -24.075 10.626 1.00 0.00 H new ATOM 0 HB ILE A 19 15.122 -25.167 9.105 1.00 0.00 H new ATOM 0 HG12 ILE A 19 16.075 -22.906 9.772 1.00 0.00 H new ATOM 0 HG13 ILE A 19 14.545 -22.511 10.530 1.00 0.00 H new ATOM 0 HG21 ILE A 19 15.098 -23.202 7.579 1.00 0.00 H new ATOM 0 HG22 ILE A 19 13.676 -24.243 7.331 1.00 0.00 H new ATOM 0 HG23 ILE A 19 13.517 -22.720 8.238 1.00 0.00 H new ATOM 0 HD11 ILE A 19 16.159 -23.362 12.205 1.00 0.00 H new ATOM 0 HD12 ILE A 19 14.777 -24.472 12.052 1.00 0.00 H new ATOM 0 HD13 ILE A 19 16.330 -24.874 11.282 1.00 0.00 H new ATOM 301 N GLU A 20 12.421 -26.243 8.158 1.00 0.00 N ATOM 302 CA GLU A 20 11.434 -26.637 7.108 1.00 0.00 C ATOM 303 C GLU A 20 10.023 -26.716 7.706 1.00 0.00 C ATOM 304 O GLU A 20 9.112 -26.059 7.248 1.00 0.00 O ATOM 305 CB GLU A 20 11.820 -27.995 6.515 1.00 0.00 C ATOM 306 CG GLU A 20 13.040 -27.829 5.607 1.00 0.00 C ATOM 307 CD GLU A 20 13.620 -29.205 5.274 1.00 0.00 C ATOM 308 OE1 GLU A 20 12.948 -29.960 4.590 1.00 0.00 O ATOM 309 OE2 GLU A 20 14.727 -29.479 5.707 1.00 0.00 O ATOM 0 H GLU A 20 13.272 -26.804 8.191 1.00 0.00 H new ATOM 0 HA GLU A 20 11.442 -25.884 6.320 1.00 0.00 H new ATOM 0 HB2 GLU A 20 12.042 -28.702 7.314 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.985 -28.406 5.948 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.757 -27.311 4.691 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.793 -27.215 6.101 1.00 0.00 H new ATOM 316 N ARG A 21 9.826 -27.530 8.706 1.00 0.00 N ATOM 317 CA ARG A 21 8.466 -27.661 9.304 1.00 0.00 C ATOM 318 C ARG A 21 8.184 -26.506 10.278 1.00 0.00 C ATOM 319 O ARG A 21 7.044 -26.195 10.561 1.00 0.00 O ATOM 320 CB ARG A 21 8.376 -28.996 10.057 1.00 0.00 C ATOM 321 CG ARG A 21 8.213 -30.161 9.060 1.00 0.00 C ATOM 322 CD ARG A 21 6.728 -30.385 8.746 1.00 0.00 C ATOM 323 NE ARG A 21 6.096 -31.149 9.863 1.00 0.00 N ATOM 324 CZ ARG A 21 4.823 -31.006 10.120 1.00 0.00 C ATOM 325 NH1 ARG A 21 3.968 -30.896 9.140 1.00 0.00 N ATOM 326 NH2 ARG A 21 4.406 -30.973 11.356 1.00 0.00 N ATOM 0 H ARG A 21 10.547 -28.110 9.135 1.00 0.00 H new ATOM 0 HA ARG A 21 7.726 -27.628 8.505 1.00 0.00 H new ATOM 0 HB2 ARG A 21 9.274 -29.144 10.657 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.532 -28.977 10.746 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.758 -29.942 8.141 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.645 -31.070 9.478 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.224 -29.427 8.614 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.621 -30.933 7.810 1.00 0.00 H new ATOM 0 HE ARG A 21 6.660 -31.785 10.427 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.294 -30.922 8.174 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.974 -30.784 9.340 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.074 -31.059 12.122 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.412 -30.861 11.556 1.00 0.00 H new ATOM 340 N LEU A 22 9.200 -25.873 10.801 1.00 0.00 N ATOM 341 CA LEU A 22 8.972 -24.750 11.763 1.00 0.00 C ATOM 342 C LEU A 22 8.781 -23.423 11.005 1.00 0.00 C ATOM 343 O LEU A 22 7.946 -22.616 11.360 1.00 0.00 O ATOM 344 CB LEU A 22 10.186 -24.649 12.709 1.00 0.00 C ATOM 345 CG LEU A 22 9.991 -25.568 13.933 1.00 0.00 C ATOM 346 CD1 LEU A 22 9.740 -27.006 13.470 1.00 0.00 C ATOM 347 CD2 LEU A 22 11.246 -25.525 14.835 1.00 0.00 C ATOM 0 H LEU A 22 10.179 -26.083 10.605 1.00 0.00 H new ATOM 0 HA LEU A 22 8.069 -24.946 12.341 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.095 -24.930 12.176 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.315 -23.618 13.037 1.00 0.00 H new ATOM 0 HG LEU A 22 9.130 -25.217 14.502 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.603 -27.649 14.339 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.844 -27.038 12.850 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.594 -27.356 12.890 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.098 -26.177 15.696 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.113 -25.864 14.268 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.413 -24.504 15.178 1.00 0.00 H new ATOM 359 N CYS A 23 9.568 -23.174 9.990 1.00 0.00 N ATOM 360 CA CYS A 23 9.449 -21.884 9.247 1.00 0.00 C ATOM 361 C CYS A 23 8.352 -21.953 8.181 1.00 0.00 C ATOM 362 O CYS A 23 7.895 -20.936 7.698 1.00 0.00 O ATOM 363 CB CYS A 23 10.787 -21.577 8.581 1.00 0.00 C ATOM 364 SG CYS A 23 12.000 -21.149 9.855 1.00 0.00 S ATOM 0 H CYS A 23 10.288 -23.808 9.644 1.00 0.00 H new ATOM 0 HA CYS A 23 9.182 -21.098 9.953 1.00 0.00 H new ATOM 0 HB2 CYS A 23 11.130 -22.440 8.011 1.00 0.00 H new ATOM 0 HB3 CYS A 23 10.676 -20.753 7.876 1.00 0.00 H new ATOM 369 N GLN A 24 7.918 -23.122 7.803 1.00 0.00 N ATOM 370 CA GLN A 24 6.853 -23.204 6.767 1.00 0.00 C ATOM 371 C GLN A 24 5.519 -22.769 7.382 1.00 0.00 C ATOM 372 O GLN A 24 4.581 -22.437 6.685 1.00 0.00 O ATOM 373 CB GLN A 24 6.750 -24.648 6.260 1.00 0.00 C ATOM 374 CG GLN A 24 7.847 -24.911 5.219 1.00 0.00 C ATOM 375 CD GLN A 24 7.455 -24.278 3.881 1.00 0.00 C ATOM 376 OE1 GLN A 24 8.089 -23.346 3.430 1.00 0.00 O ATOM 377 NE2 GLN A 24 6.431 -24.749 3.224 1.00 0.00 N ATOM 0 H GLN A 24 8.251 -24.017 8.163 1.00 0.00 H new ATOM 0 HA GLN A 24 7.095 -22.548 5.931 1.00 0.00 H new ATOM 0 HB2 GLN A 24 6.851 -25.344 7.093 1.00 0.00 H new ATOM 0 HB3 GLN A 24 5.768 -24.819 5.819 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.795 -24.497 5.564 1.00 0.00 H new ATOM 0 HG3 GLN A 24 7.994 -25.984 5.095 1.00 0.00 H new ATOM 0 HE21 GLN A 24 5.898 -25.532 3.603 1.00 0.00 H new ATOM 0 HE22 GLN A 24 6.163 -24.334 2.331 1.00 0.00 H new ATOM 386 N HIS A 25 5.429 -22.765 8.686 1.00 0.00 N ATOM 387 CA HIS A 25 4.158 -22.348 9.348 1.00 0.00 C ATOM 388 C HIS A 25 4.128 -20.824 9.495 1.00 0.00 C ATOM 389 O HIS A 25 3.078 -20.225 9.615 1.00 0.00 O ATOM 390 CB HIS A 25 4.069 -22.992 10.734 1.00 0.00 C ATOM 391 CG HIS A 25 4.167 -24.487 10.600 1.00 0.00 C ATOM 392 ND1 HIS A 25 4.602 -25.096 9.434 1.00 0.00 N ATOM 393 CD2 HIS A 25 3.893 -25.507 11.477 1.00 0.00 C ATOM 394 CE1 HIS A 25 4.575 -26.426 9.637 1.00 0.00 C ATOM 395 NE2 HIS A 25 4.150 -26.732 10.865 1.00 0.00 N ATOM 0 H HIS A 25 6.181 -23.033 9.321 1.00 0.00 H new ATOM 0 HA HIS A 25 3.313 -22.670 8.739 1.00 0.00 H new ATOM 0 HB2 HIS A 25 4.871 -22.620 11.372 1.00 0.00 H new ATOM 0 HB3 HIS A 25 3.129 -22.720 11.213 1.00 0.00 H new ATOM 0 HD2 HIS A 25 3.533 -25.379 12.487 1.00 0.00 H new ATOM 0 HE1 HIS A 25 4.862 -27.157 8.896 1.00 0.00 H new ATOM 0 HE2 HIS A 25 4.038 -27.662 11.268 1.00 0.00 H new ATOM 403 N TYR A 26 5.274 -20.191 9.493 1.00 0.00 N ATOM 404 CA TYR A 26 5.325 -18.709 9.638 1.00 0.00 C ATOM 405 C TYR A 26 5.394 -18.052 8.258 1.00 0.00 C ATOM 406 O TYR A 26 4.721 -18.464 7.333 1.00 0.00 O ATOM 407 CB TYR A 26 6.554 -18.347 10.477 1.00 0.00 C ATOM 408 CG TYR A 26 6.366 -18.882 11.881 1.00 0.00 C ATOM 409 CD1 TYR A 26 5.351 -18.361 12.696 1.00 0.00 C ATOM 410 CD2 TYR A 26 7.203 -19.893 12.370 1.00 0.00 C ATOM 411 CE1 TYR A 26 5.172 -18.854 13.994 1.00 0.00 C ATOM 412 CE2 TYR A 26 7.023 -20.386 13.668 1.00 0.00 C ATOM 413 CZ TYR A 26 6.009 -19.866 14.480 1.00 0.00 C ATOM 414 OH TYR A 26 5.833 -20.352 15.761 1.00 0.00 O ATOM 0 H TYR A 26 6.183 -20.644 9.396 1.00 0.00 H new ATOM 0 HA TYR A 26 4.426 -18.346 10.137 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.453 -18.770 10.030 1.00 0.00 H new ATOM 0 HB3 TYR A 26 6.689 -17.266 10.501 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.707 -17.579 12.322 1.00 0.00 H new ATOM 0 HD2 TYR A 26 7.988 -20.293 11.745 1.00 0.00 H new ATOM 0 HE1 TYR A 26 4.388 -18.454 14.620 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.667 -21.168 14.043 1.00 0.00 H new ATOM 0 HH TYR A 26 6.496 -21.051 15.940 1.00 0.00 H new ATOM 424 N ILE A 27 6.198 -17.034 8.117 1.00 0.00 N ATOM 425 CA ILE A 27 6.332 -16.319 6.803 1.00 0.00 C ATOM 426 C ILE A 27 7.780 -16.441 6.312 1.00 0.00 C ATOM 427 O ILE A 27 8.656 -16.847 7.049 1.00 0.00 O ATOM 428 CB ILE A 27 5.993 -14.826 6.993 1.00 0.00 C ATOM 429 CG1 ILE A 27 4.810 -14.655 7.963 1.00 0.00 C ATOM 430 CG2 ILE A 27 5.639 -14.198 5.641 1.00 0.00 C ATOM 431 CD1 ILE A 27 3.541 -15.301 7.396 1.00 0.00 C ATOM 0 H ILE A 27 6.780 -16.657 8.865 1.00 0.00 H new ATOM 0 HA ILE A 27 5.651 -16.761 6.076 1.00 0.00 H new ATOM 0 HB ILE A 27 6.866 -14.326 7.413 1.00 0.00 H new ATOM 0 HG12 ILE A 27 5.055 -15.107 8.924 1.00 0.00 H new ATOM 0 HG13 ILE A 27 4.633 -13.595 8.144 1.00 0.00 H new ATOM 0 HG21 ILE A 27 5.400 -13.144 5.781 1.00 0.00 H new ATOM 0 HG22 ILE A 27 6.488 -14.291 4.963 1.00 0.00 H new ATOM 0 HG23 ILE A 27 4.777 -14.712 5.216 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.719 -15.167 8.099 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.286 -14.830 6.446 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.714 -16.366 7.239 1.00 0.00 H new ATOM 443 N GLY A 28 8.032 -16.094 5.069 1.00 0.00 N ATOM 444 CA GLY A 28 9.423 -16.180 4.513 1.00 0.00 C ATOM 445 C GLY A 28 10.434 -15.727 5.570 1.00 0.00 C ATOM 446 O GLY A 28 11.429 -16.379 5.813 1.00 0.00 O ATOM 0 H GLY A 28 7.329 -15.753 4.413 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.639 -17.203 4.205 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.508 -15.555 3.624 1.00 0.00 H new ATOM 450 N TRP A 29 10.165 -14.630 6.227 1.00 0.00 N ATOM 451 CA TRP A 29 11.086 -14.157 7.296 1.00 0.00 C ATOM 452 C TRP A 29 10.926 -15.113 8.481 1.00 0.00 C ATOM 453 O TRP A 29 9.846 -15.253 9.022 1.00 0.00 O ATOM 454 CB TRP A 29 10.701 -12.720 7.694 1.00 0.00 C ATOM 455 CG TRP A 29 11.208 -12.399 9.068 1.00 0.00 C ATOM 456 CD1 TRP A 29 12.512 -12.342 9.424 1.00 0.00 C ATOM 457 CD2 TRP A 29 10.441 -12.093 10.269 1.00 0.00 C ATOM 458 NE1 TRP A 29 12.595 -12.022 10.767 1.00 0.00 N ATOM 459 CE2 TRP A 29 11.345 -11.857 11.332 1.00 0.00 C ATOM 460 CE3 TRP A 29 9.064 -11.998 10.536 1.00 0.00 C ATOM 461 CZ2 TRP A 29 10.898 -11.538 12.614 1.00 0.00 C ATOM 462 CZ3 TRP A 29 8.610 -11.677 11.826 1.00 0.00 C ATOM 463 CH2 TRP A 29 9.525 -11.448 12.863 1.00 0.00 C ATOM 0 H TRP A 29 9.347 -14.042 6.068 1.00 0.00 H new ATOM 0 HA TRP A 29 12.123 -14.147 6.961 1.00 0.00 H new ATOM 0 HB2 TRP A 29 11.115 -12.014 6.974 1.00 0.00 H new ATOM 0 HB3 TRP A 29 9.617 -12.607 7.665 1.00 0.00 H new ATOM 0 HD1 TRP A 29 13.351 -12.518 8.767 1.00 0.00 H new ATOM 0 HE1 TRP A 29 13.472 -11.920 11.278 1.00 0.00 H new ATOM 0 HE3 TRP A 29 8.351 -12.173 9.744 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 11.607 -11.362 13.409 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 7.550 -11.606 12.020 1.00 0.00 H new ATOM 0 HH2 TRP A 29 9.170 -11.202 13.853 1.00 0.00 H new ATOM 474 N CYS A 30 11.969 -15.802 8.871 1.00 0.00 N ATOM 475 CA CYS A 30 11.856 -16.779 9.997 1.00 0.00 C ATOM 476 C CYS A 30 13.108 -16.670 10.898 1.00 0.00 C ATOM 477 O CYS A 30 14.179 -17.077 10.495 1.00 0.00 O ATOM 478 CB CYS A 30 11.801 -18.180 9.377 1.00 0.00 C ATOM 479 SG CYS A 30 11.316 -19.405 10.614 1.00 0.00 S ATOM 0 H CYS A 30 12.898 -15.729 8.456 1.00 0.00 H new ATOM 0 HA CYS A 30 10.968 -16.581 10.598 1.00 0.00 H new ATOM 0 HB2 CYS A 30 11.091 -18.190 8.550 1.00 0.00 H new ATOM 0 HB3 CYS A 30 12.776 -18.439 8.964 1.00 0.00 H new ATOM 484 N PRO A 31 13.002 -16.132 12.104 1.00 0.00 N ATOM 485 CA PRO A 31 14.185 -16.004 13.010 1.00 0.00 C ATOM 486 C PRO A 31 14.581 -17.366 13.594 1.00 0.00 C ATOM 487 O PRO A 31 14.665 -17.554 14.792 1.00 0.00 O ATOM 488 CB PRO A 31 13.715 -15.031 14.103 1.00 0.00 C ATOM 489 CG PRO A 31 12.223 -15.166 14.142 1.00 0.00 C ATOM 490 CD PRO A 31 11.775 -15.597 12.735 1.00 0.00 C ATOM 0 HA PRO A 31 15.075 -15.643 12.494 1.00 0.00 H new ATOM 0 HB2 PRO A 31 14.157 -15.280 15.068 1.00 0.00 H new ATOM 0 HB3 PRO A 31 14.011 -14.008 13.872 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.922 -15.904 14.886 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.757 -14.221 14.423 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.991 -16.353 12.782 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.373 -14.755 12.171 1.00 0.00 H new ATOM 498 N PHE A 32 14.813 -18.318 12.727 1.00 0.00 N ATOM 499 CA PHE A 32 15.197 -19.696 13.165 1.00 0.00 C ATOM 500 C PHE A 32 16.574 -20.036 12.589 1.00 0.00 C ATOM 501 O PHE A 32 17.400 -20.645 13.239 1.00 0.00 O ATOM 502 CB PHE A 32 14.166 -20.702 12.642 1.00 0.00 C ATOM 503 CG PHE A 32 12.890 -20.617 13.460 1.00 0.00 C ATOM 504 CD1 PHE A 32 12.127 -19.440 13.458 1.00 0.00 C ATOM 505 CD2 PHE A 32 12.465 -21.719 14.215 1.00 0.00 C ATOM 506 CE1 PHE A 32 10.946 -19.366 14.207 1.00 0.00 C ATOM 507 CE2 PHE A 32 11.284 -21.642 14.964 1.00 0.00 C ATOM 508 CZ PHE A 32 10.526 -20.467 14.960 1.00 0.00 C ATOM 0 H PHE A 32 14.752 -18.197 11.716 1.00 0.00 H new ATOM 0 HA PHE A 32 15.229 -19.742 14.254 1.00 0.00 H new ATOM 0 HB2 PHE A 32 13.949 -20.499 11.593 1.00 0.00 H new ATOM 0 HB3 PHE A 32 14.573 -21.712 12.694 1.00 0.00 H new ATOM 0 HD1 PHE A 32 12.451 -18.589 12.878 1.00 0.00 H new ATOM 0 HD2 PHE A 32 13.048 -22.628 14.219 1.00 0.00 H new ATOM 0 HE1 PHE A 32 10.360 -18.459 14.203 1.00 0.00 H new ATOM 0 HE2 PHE A 32 10.958 -22.492 15.546 1.00 0.00 H new ATOM 0 HZ PHE A 32 9.616 -20.410 15.539 1.00 0.00 H new ATOM 518 N TRP A 33 16.825 -19.644 11.370 1.00 0.00 N ATOM 519 CA TRP A 33 18.143 -19.939 10.745 1.00 0.00 C ATOM 520 C TRP A 33 19.265 -19.534 11.705 1.00 0.00 C ATOM 521 O TRP A 33 19.114 -18.522 12.368 1.00 0.00 O ATOM 522 CB TRP A 33 18.276 -19.144 9.443 1.00 0.00 C ATOM 523 CG TRP A 33 17.316 -19.665 8.419 1.00 0.00 C ATOM 524 CD1 TRP A 33 17.222 -20.955 8.030 1.00 0.00 C ATOM 525 CD2 TRP A 33 16.323 -18.932 7.640 1.00 0.00 C ATOM 526 NE1 TRP A 33 16.230 -21.066 7.075 1.00 0.00 N ATOM 527 CE2 TRP A 33 15.645 -19.847 6.798 1.00 0.00 C ATOM 528 CE3 TRP A 33 15.946 -17.578 7.586 1.00 0.00 C ATOM 529 CZ2 TRP A 33 14.631 -19.433 5.934 1.00 0.00 C ATOM 530 CZ3 TRP A 33 14.925 -17.158 6.717 1.00 0.00 C ATOM 531 CH2 TRP A 33 14.270 -18.084 5.892 1.00 0.00 C ATOM 532 OXT TRP A 33 20.256 -20.243 11.759 1.00 0.00 O ATOM 0 H TRP A 33 16.171 -19.131 10.779 1.00 0.00 H new ATOM 0 HA TRP A 33 18.215 -21.005 10.531 1.00 0.00 H new ATOM 0 HB2 TRP A 33 18.081 -18.088 9.631 1.00 0.00 H new ATOM 0 HB3 TRP A 33 19.296 -19.217 9.066 1.00 0.00 H new ATOM 0 HD1 TRP A 33 17.825 -21.769 8.405 1.00 0.00 H new ATOM 0 HE1 TRP A 33 15.962 -21.943 6.628 1.00 0.00 H new ATOM 0 HE3 TRP A 33 16.445 -16.857 8.217 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 14.129 -20.150 5.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 14.643 -16.116 6.684 1.00 0.00 H new ATOM 0 HH2 TRP A 33 13.487 -17.755 5.225 1.00 0.00 H new TER 543 TRP A 33