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= 0.0453 K(o=0.045,f=-1.1) USER MOD Single : A 1 ASN N :NH3+ -179:sc= -0.012 (180deg=-0.0128) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 146:sc= -0.291 (180deg=-1.67!) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN : amide:sc= -7.31! C(o=-7.3!,f=-11!) USER MOD Single : A 17 THR OG1 : rot 86:sc= 1.05 USER MOD Single : A 18 SER OG : rot -55:sc= -0.86! USER MOD Single : A 24 GLN : amide:sc= -0.179 K(o=-0.18,f=-0.81) USER MOD Single : A 25 HIS : no HD1:sc= -0.439 X(o=-0.44,f=-0.054) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 34.069 -34.956 20.716 1.00 0.00 N ATOM 2 CA ASN A 1 34.493 -33.657 20.120 1.00 0.00 C ATOM 3 C ASN A 1 35.192 -33.914 18.785 1.00 0.00 C ATOM 4 O ASN A 1 34.680 -33.587 17.732 1.00 0.00 O ATOM 5 CB ASN A 1 35.456 -32.948 21.076 1.00 0.00 C ATOM 6 CG ASN A 1 34.678 -32.393 22.270 1.00 0.00 C ATOM 7 OD1 ASN A 1 34.192 -33.142 23.095 1.00 0.00 O ATOM 8 ND2 ASN A 1 34.537 -31.102 22.399 1.00 0.00 N ATOM 0 H1 ASN A 1 33.578 -34.781 21.616 1.00 0.00 H new ATOM 0 H2 ASN A 1 33.427 -35.445 20.061 1.00 0.00 H new ATOM 0 H3 ASN A 1 34.906 -35.549 20.888 1.00 0.00 H new ATOM 0 HA ASN A 1 33.618 -33.028 19.955 1.00 0.00 H new ATOM 0 HB2 ASN A 1 36.221 -33.644 21.420 1.00 0.00 H new ATOM 0 HB3 ASN A 1 35.970 -32.139 20.557 1.00 0.00 H new ATOM 0 HD21 ASN A 1 34.019 -30.722 23.192 1.00 0.00 H new ATOM 0 HD22 ASN A 1 34.944 -30.473 21.707 1.00 0.00 H new ATOM 17 N GLU A 2 36.359 -34.497 18.817 1.00 0.00 N ATOM 18 CA GLU A 2 37.089 -34.774 17.548 1.00 0.00 C ATOM 19 C GLU A 2 36.497 -36.023 16.887 1.00 0.00 C ATOM 20 O GLU A 2 35.507 -35.951 16.187 1.00 0.00 O ATOM 21 CB GLU A 2 38.578 -34.991 17.857 1.00 0.00 C ATOM 22 CG GLU A 2 39.361 -35.225 16.559 1.00 0.00 C ATOM 23 CD GLU A 2 39.284 -33.976 15.679 1.00 0.00 C ATOM 24 OE1 GLU A 2 40.015 -33.038 15.952 1.00 0.00 O ATOM 25 OE2 GLU A 2 38.495 -33.978 14.748 1.00 0.00 O ATOM 0 H GLU A 2 36.838 -34.793 19.667 1.00 0.00 H new ATOM 0 HA GLU A 2 36.987 -33.929 16.867 1.00 0.00 H new ATOM 0 HB2 GLU A 2 38.978 -34.123 18.380 1.00 0.00 H new ATOM 0 HB3 GLU A 2 38.698 -35.847 18.522 1.00 0.00 H new ATOM 0 HG2 GLU A 2 40.401 -35.457 16.787 1.00 0.00 H new ATOM 0 HG3 GLU A 2 38.952 -36.083 16.026 1.00 0.00 H new ATOM 32 N LEU A 3 37.093 -37.167 17.100 1.00 0.00 N ATOM 33 CA LEU A 3 36.562 -38.417 16.483 1.00 0.00 C ATOM 34 C LEU A 3 36.252 -38.165 15.004 1.00 0.00 C ATOM 35 O LEU A 3 36.691 -37.190 14.427 1.00 0.00 O ATOM 36 CB LEU A 3 35.276 -38.858 17.200 1.00 0.00 C ATOM 37 CG LEU A 3 35.505 -39.017 18.720 1.00 0.00 C ATOM 38 CD1 LEU A 3 36.758 -39.864 18.981 1.00 0.00 C ATOM 39 CD2 LEU A 3 35.654 -37.641 19.406 1.00 0.00 C ATOM 0 H LEU A 3 37.926 -37.289 17.676 1.00 0.00 H new ATOM 0 HA LEU A 3 37.312 -39.203 16.577 1.00 0.00 H new ATOM 0 HB2 LEU A 3 34.489 -38.124 17.024 1.00 0.00 H new ATOM 0 HB3 LEU A 3 34.930 -39.803 16.782 1.00 0.00 H new ATOM 0 HG LEU A 3 34.634 -39.520 19.141 1.00 0.00 H new ATOM 0 HD11 LEU A 3 36.909 -39.969 20.055 1.00 0.00 H new ATOM 0 HD12 LEU A 3 36.630 -40.850 18.534 1.00 0.00 H new ATOM 0 HD13 LEU A 3 37.626 -39.375 18.539 1.00 0.00 H new ATOM 0 HD21 LEU A 3 35.814 -37.783 20.475 1.00 0.00 H new ATOM 0 HD22 LEU A 3 36.506 -37.112 18.979 1.00 0.00 H new ATOM 0 HD23 LEU A 3 34.748 -37.056 19.249 1.00 0.00 H new ATOM 51 N ASP A 4 35.498 -39.036 14.387 1.00 0.00 N ATOM 52 CA ASP A 4 35.160 -38.846 12.946 1.00 0.00 C ATOM 53 C ASP A 4 33.855 -39.579 12.625 1.00 0.00 C ATOM 54 O ASP A 4 33.818 -40.451 11.779 1.00 0.00 O ATOM 55 CB ASP A 4 36.287 -39.413 12.080 1.00 0.00 C ATOM 56 CG ASP A 4 37.636 -38.913 12.601 1.00 0.00 C ATOM 57 OD1 ASP A 4 37.914 -37.736 12.435 1.00 0.00 O ATOM 58 OD2 ASP A 4 38.368 -39.715 13.157 1.00 0.00 O ATOM 0 H ASP A 4 35.102 -39.871 14.819 1.00 0.00 H new ATOM 0 HA ASP A 4 35.040 -37.783 12.739 1.00 0.00 H new ATOM 0 HB2 ASP A 4 36.260 -40.503 12.098 1.00 0.00 H new ATOM 0 HB3 ASP A 4 36.151 -39.108 11.043 1.00 0.00 H new ATOM 63 N VAL A 5 32.783 -39.228 13.295 1.00 0.00 N ATOM 64 CA VAL A 5 31.465 -39.887 13.046 1.00 0.00 C ATOM 65 C VAL A 5 30.487 -38.842 12.483 1.00 0.00 C ATOM 66 O VAL A 5 30.623 -37.665 12.746 1.00 0.00 O ATOM 67 CB VAL A 5 30.926 -40.420 14.380 1.00 0.00 C ATOM 68 CG1 VAL A 5 31.558 -41.778 14.697 1.00 0.00 C ATOM 69 CG2 VAL A 5 31.272 -39.431 15.495 1.00 0.00 C ATOM 0 H VAL A 5 32.767 -38.503 14.013 1.00 0.00 H new ATOM 0 HA VAL A 5 31.577 -40.706 12.336 1.00 0.00 H new ATOM 0 HB VAL A 5 29.845 -40.537 14.308 1.00 0.00 H new ATOM 0 HG11 VAL A 5 31.169 -42.148 15.646 1.00 0.00 H new ATOM 0 HG12 VAL A 5 31.315 -42.486 13.905 1.00 0.00 H new ATOM 0 HG13 VAL A 5 32.640 -41.668 14.767 1.00 0.00 H new ATOM 0 HG21 VAL A 5 30.891 -39.806 16.445 1.00 0.00 H new ATOM 0 HG22 VAL A 5 32.354 -39.317 15.558 1.00 0.00 H new ATOM 0 HG23 VAL A 5 30.818 -38.464 15.278 1.00 0.00 H new ATOM 79 N PRO A 6 29.501 -39.264 11.724 1.00 0.00 N ATOM 80 CA PRO A 6 28.493 -38.330 11.142 1.00 0.00 C ATOM 81 C PRO A 6 27.548 -37.785 12.221 1.00 0.00 C ATOM 82 O PRO A 6 26.469 -37.305 11.932 1.00 0.00 O ATOM 83 CB PRO A 6 27.726 -39.198 10.131 1.00 0.00 C ATOM 84 CG PRO A 6 27.875 -40.599 10.636 1.00 0.00 C ATOM 85 CD PRO A 6 29.237 -40.662 11.336 1.00 0.00 C ATOM 0 HA PRO A 6 28.954 -37.454 10.685 1.00 0.00 H new ATOM 0 HB2 PRO A 6 26.677 -38.907 10.076 1.00 0.00 H new ATOM 0 HB3 PRO A 6 28.139 -39.094 9.127 1.00 0.00 H new ATOM 0 HG2 PRO A 6 27.071 -40.851 11.327 1.00 0.00 H new ATOM 0 HG3 PRO A 6 27.826 -41.315 9.816 1.00 0.00 H new ATOM 0 HD2 PRO A 6 29.210 -41.319 12.205 1.00 0.00 H new ATOM 0 HD3 PRO A 6 30.011 -41.045 10.671 1.00 0.00 H new ATOM 93 N GLU A 7 27.949 -37.852 13.462 1.00 0.00 N ATOM 94 CA GLU A 7 27.084 -37.337 14.555 1.00 0.00 C ATOM 95 C GLU A 7 26.805 -35.859 14.279 1.00 0.00 C ATOM 96 O GLU A 7 25.677 -35.439 14.120 1.00 0.00 O ATOM 97 CB GLU A 7 27.823 -37.515 15.907 1.00 0.00 C ATOM 98 CG GLU A 7 26.917 -38.211 16.933 1.00 0.00 C ATOM 99 CD GLU A 7 27.512 -38.051 18.335 1.00 0.00 C ATOM 100 OE1 GLU A 7 27.574 -36.927 18.805 1.00 0.00 O ATOM 101 OE2 GLU A 7 27.895 -39.055 18.911 1.00 0.00 O ATOM 0 H GLU A 7 28.841 -38.243 13.764 1.00 0.00 H new ATOM 0 HA GLU A 7 26.141 -37.881 14.603 1.00 0.00 H new ATOM 0 HB2 GLU A 7 28.729 -38.102 15.757 1.00 0.00 H new ATOM 0 HB3 GLU A 7 28.133 -36.542 16.289 1.00 0.00 H new ATOM 0 HG2 GLU A 7 25.916 -37.781 16.900 1.00 0.00 H new ATOM 0 HG3 GLU A 7 26.818 -39.268 16.687 1.00 0.00 H new ATOM 108 N GLN A 8 27.838 -35.073 14.215 1.00 0.00 N ATOM 109 CA GLN A 8 27.655 -33.624 13.939 1.00 0.00 C ATOM 110 C GLN A 8 26.730 -33.462 12.730 1.00 0.00 C ATOM 111 O GLN A 8 25.716 -32.795 12.796 1.00 0.00 O ATOM 112 CB GLN A 8 29.013 -32.983 13.655 1.00 0.00 C ATOM 113 CG GLN A 8 30.067 -33.569 14.600 1.00 0.00 C ATOM 114 CD GLN A 8 31.310 -32.677 14.597 1.00 0.00 C ATOM 115 OE1 GLN A 8 32.085 -32.699 13.661 1.00 0.00 O ATOM 116 NE2 GLN A 8 31.536 -31.889 15.612 1.00 0.00 N ATOM 0 H GLN A 8 28.805 -35.372 14.342 1.00 0.00 H new ATOM 0 HA GLN A 8 27.209 -33.132 14.803 1.00 0.00 H new ATOM 0 HB2 GLN A 8 29.300 -33.161 12.619 1.00 0.00 H new ATOM 0 HB3 GLN A 8 28.951 -31.903 13.788 1.00 0.00 H new ATOM 0 HG2 GLN A 8 29.663 -33.644 15.610 1.00 0.00 H new ATOM 0 HG3 GLN A 8 30.331 -34.579 14.286 1.00 0.00 H new ATOM 0 HE21 GLN A 8 30.886 -31.870 16.398 1.00 0.00 H new ATOM 0 HE22 GLN A 8 32.363 -31.292 15.620 1.00 0.00 H new ATOM 125 N VAL A 9 27.066 -34.077 11.630 1.00 0.00 N ATOM 126 CA VAL A 9 26.203 -33.968 10.421 1.00 0.00 C ATOM 127 C VAL A 9 24.762 -34.334 10.794 1.00 0.00 C ATOM 128 O VAL A 9 23.825 -33.950 10.124 1.00 0.00 O ATOM 129 CB VAL A 9 26.723 -34.926 9.343 1.00 0.00 C ATOM 130 CG1 VAL A 9 25.719 -35.009 8.190 1.00 0.00 C ATOM 131 CG2 VAL A 9 28.066 -34.414 8.816 1.00 0.00 C ATOM 0 H VAL A 9 27.902 -34.651 11.516 1.00 0.00 H new ATOM 0 HA VAL A 9 26.226 -32.948 10.038 1.00 0.00 H new ATOM 0 HB VAL A 9 26.852 -35.918 9.775 1.00 0.00 H new ATOM 0 HG11 VAL A 9 26.096 -35.692 7.428 1.00 0.00 H new ATOM 0 HG12 VAL A 9 24.764 -35.376 8.565 1.00 0.00 H new ATOM 0 HG13 VAL A 9 25.582 -34.019 7.755 1.00 0.00 H new ATOM 0 HG21 VAL A 9 28.439 -35.093 8.049 1.00 0.00 H new ATOM 0 HG22 VAL A 9 27.934 -33.420 8.388 1.00 0.00 H new ATOM 0 HG23 VAL A 9 28.783 -34.363 9.635 1.00 0.00 H new ATOM 141 N ASP A 10 24.574 -35.072 11.855 1.00 0.00 N ATOM 142 CA ASP A 10 23.187 -35.448 12.255 1.00 0.00 C ATOM 143 C ASP A 10 22.457 -34.193 12.739 1.00 0.00 C ATOM 144 O ASP A 10 21.481 -33.774 12.153 1.00 0.00 O ATOM 145 CB ASP A 10 23.238 -36.490 13.382 1.00 0.00 C ATOM 146 CG ASP A 10 21.906 -37.242 13.452 1.00 0.00 C ATOM 147 OD1 ASP A 10 20.879 -36.605 13.284 1.00 0.00 O ATOM 148 OD2 ASP A 10 21.937 -38.441 13.673 1.00 0.00 O ATOM 0 H ASP A 10 25.315 -35.429 12.458 1.00 0.00 H new ATOM 0 HA ASP A 10 22.658 -35.876 11.404 1.00 0.00 H new ATOM 0 HB2 ASP A 10 24.053 -37.191 13.205 1.00 0.00 H new ATOM 0 HB3 ASP A 10 23.440 -36.000 14.334 1.00 0.00 H new ATOM 153 N LYS A 11 22.915 -33.619 13.828 1.00 0.00 N ATOM 154 CA LYS A 11 22.258 -32.395 14.396 1.00 0.00 C ATOM 155 C LYS A 11 21.752 -31.479 13.269 1.00 0.00 C ATOM 156 O LYS A 11 20.813 -30.731 13.449 1.00 0.00 O ATOM 157 CB LYS A 11 23.260 -31.623 15.277 1.00 0.00 C ATOM 158 CG LYS A 11 23.471 -32.340 16.642 1.00 0.00 C ATOM 159 CD LYS A 11 24.744 -33.215 16.608 1.00 0.00 C ATOM 160 CE LYS A 11 25.970 -32.388 17.020 1.00 0.00 C ATOM 161 NZ LYS A 11 25.741 -31.781 18.361 1.00 0.00 N ATOM 0 H LYS A 11 23.724 -33.950 14.353 1.00 0.00 H new ATOM 0 HA LYS A 11 21.408 -32.710 15.001 1.00 0.00 H new ATOM 0 HB2 LYS A 11 24.214 -31.535 14.757 1.00 0.00 H new ATOM 0 HB3 LYS A 11 22.895 -30.610 15.447 1.00 0.00 H new ATOM 0 HG2 LYS A 11 23.553 -31.600 17.438 1.00 0.00 H new ATOM 0 HG3 LYS A 11 22.604 -32.959 16.871 1.00 0.00 H new ATOM 0 HD2 LYS A 11 24.627 -34.065 17.280 1.00 0.00 H new ATOM 0 HD3 LYS A 11 24.889 -33.619 15.606 1.00 0.00 H new ATOM 0 HE2 LYS A 11 26.856 -33.022 17.044 1.00 0.00 H new ATOM 0 HE3 LYS A 11 26.157 -31.606 16.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 26.641 -31.736 18.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 25.359 -30.820 18.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 25.063 -32.362 18.894 1.00 0.00 H new ATOM 175 N LEU A 12 22.341 -31.547 12.106 1.00 0.00 N ATOM 176 CA LEU A 12 21.854 -30.696 10.989 1.00 0.00 C ATOM 177 C LEU A 12 20.492 -31.232 10.531 1.00 0.00 C ATOM 178 O LEU A 12 19.565 -30.483 10.291 1.00 0.00 O ATOM 179 CB LEU A 12 22.866 -30.726 9.819 1.00 0.00 C ATOM 180 CG LEU A 12 23.908 -29.588 9.932 1.00 0.00 C ATOM 181 CD1 LEU A 12 23.317 -28.279 9.382 1.00 0.00 C ATOM 182 CD2 LEU A 12 24.358 -29.387 11.394 1.00 0.00 C ATOM 0 H LEU A 12 23.132 -32.151 11.884 1.00 0.00 H new ATOM 0 HA LEU A 12 21.751 -29.663 11.322 1.00 0.00 H new ATOM 0 HB2 LEU A 12 23.378 -31.688 9.806 1.00 0.00 H new ATOM 0 HB3 LEU A 12 22.331 -30.637 8.873 1.00 0.00 H new ATOM 0 HG LEU A 12 24.781 -29.868 9.343 1.00 0.00 H new ATOM 0 HD11 LEU A 12 24.057 -27.483 9.465 1.00 0.00 H new ATOM 0 HD12 LEU A 12 23.045 -28.414 8.335 1.00 0.00 H new ATOM 0 HD13 LEU A 12 22.430 -28.011 9.956 1.00 0.00 H new ATOM 0 HD21 LEU A 12 25.090 -28.581 11.442 1.00 0.00 H new ATOM 0 HD22 LEU A 12 23.495 -29.130 12.008 1.00 0.00 H new ATOM 0 HD23 LEU A 12 24.807 -30.308 11.766 1.00 0.00 H new ATOM 194 N ILE A 13 20.362 -32.527 10.423 1.00 0.00 N ATOM 195 CA ILE A 13 19.060 -33.112 9.998 1.00 0.00 C ATOM 196 C ILE A 13 17.959 -32.537 10.886 1.00 0.00 C ATOM 197 O ILE A 13 16.950 -32.053 10.413 1.00 0.00 O ATOM 198 CB ILE A 13 19.104 -34.636 10.151 1.00 0.00 C ATOM 199 CG1 ILE A 13 20.083 -35.222 9.131 1.00 0.00 C ATOM 200 CG2 ILE A 13 17.710 -35.219 9.909 1.00 0.00 C ATOM 201 CD1 ILE A 13 20.342 -36.695 9.454 1.00 0.00 C ATOM 0 H ILE A 13 21.101 -33.204 10.611 1.00 0.00 H new ATOM 0 HA ILE A 13 18.864 -32.869 8.954 1.00 0.00 H new ATOM 0 HB ILE A 13 19.431 -34.888 11.160 1.00 0.00 H new ATOM 0 HG12 ILE A 13 19.676 -35.126 8.125 1.00 0.00 H new ATOM 0 HG13 ILE A 13 21.020 -34.665 9.150 1.00 0.00 H new ATOM 0 HG21 ILE A 13 17.745 -36.303 10.019 1.00 0.00 H new ATOM 0 HG22 ILE A 13 17.011 -34.803 10.634 1.00 0.00 H new ATOM 0 HG23 ILE A 13 17.380 -34.967 8.901 1.00 0.00 H new ATOM 0 HD11 ILE A 13 21.039 -37.110 8.726 1.00 0.00 H new ATOM 0 HD12 ILE A 13 20.768 -36.779 10.454 1.00 0.00 H new ATOM 0 HD13 ILE A 13 19.403 -37.247 9.412 1.00 0.00 H new ATOM 213 N GLN A 14 18.153 -32.580 12.176 1.00 0.00 N ATOM 214 CA GLN A 14 17.132 -32.031 13.105 1.00 0.00 C ATOM 215 C GLN A 14 16.917 -30.547 12.792 1.00 0.00 C ATOM 216 O GLN A 14 15.802 -30.088 12.640 1.00 0.00 O ATOM 217 CB GLN A 14 17.625 -32.192 14.543 1.00 0.00 C ATOM 218 CG GLN A 14 17.473 -33.653 14.975 1.00 0.00 C ATOM 219 CD GLN A 14 17.880 -33.799 16.443 1.00 0.00 C ATOM 220 OE1 GLN A 14 17.193 -33.324 17.325 1.00 0.00 O ATOM 221 NE2 GLN A 14 18.976 -34.440 16.743 1.00 0.00 N ATOM 0 H GLN A 14 18.979 -32.974 12.626 1.00 0.00 H new ATOM 0 HA GLN A 14 16.190 -32.566 12.985 1.00 0.00 H new ATOM 0 HB2 GLN A 14 18.669 -31.887 14.617 1.00 0.00 H new ATOM 0 HB3 GLN A 14 17.055 -31.544 15.209 1.00 0.00 H new ATOM 0 HG2 GLN A 14 16.441 -33.978 14.839 1.00 0.00 H new ATOM 0 HG3 GLN A 14 18.094 -34.294 14.349 1.00 0.00 H new ATOM 0 HE21 GLN A 14 19.553 -34.839 16.002 1.00 0.00 H new ATOM 0 HE22 GLN A 14 19.256 -34.542 17.718 1.00 0.00 H new ATOM 230 N GLN A 15 17.981 -29.798 12.686 1.00 0.00 N ATOM 231 CA GLN A 15 17.847 -28.345 12.373 1.00 0.00 C ATOM 232 C GLN A 15 17.163 -28.189 11.013 1.00 0.00 C ATOM 233 O GLN A 15 16.108 -27.600 10.901 1.00 0.00 O ATOM 234 CB GLN A 15 19.243 -27.707 12.323 1.00 0.00 C ATOM 235 CG GLN A 15 19.748 -27.394 13.740 1.00 0.00 C ATOM 236 CD GLN A 15 19.477 -28.571 14.686 1.00 0.00 C ATOM 237 OE1 GLN A 15 18.340 -28.937 14.912 1.00 0.00 O ATOM 238 NE2 GLN A 15 20.481 -29.175 15.260 1.00 0.00 N ATOM 0 H GLN A 15 18.939 -30.129 12.803 1.00 0.00 H new ATOM 0 HA GLN A 15 17.251 -27.852 13.141 1.00 0.00 H new ATOM 0 HB2 GLN A 15 19.939 -28.382 11.824 1.00 0.00 H new ATOM 0 HB3 GLN A 15 19.209 -26.791 11.733 1.00 0.00 H new ATOM 0 HG2 GLN A 15 20.817 -27.183 13.712 1.00 0.00 H new ATOM 0 HG3 GLN A 15 19.256 -26.498 14.117 1.00 0.00 H new ATOM 0 HE21 GLN A 15 21.436 -28.869 15.071 1.00 0.00 H new ATOM 0 HE22 GLN A 15 20.311 -29.953 15.897 1.00 0.00 H new ATOM 247 N ALA A 16 17.753 -28.717 9.975 1.00 0.00 N ATOM 248 CA ALA A 16 17.126 -28.599 8.631 1.00 0.00 C ATOM 249 C ALA A 16 15.707 -29.161 8.698 1.00 0.00 C ATOM 250 O ALA A 16 14.788 -28.631 8.105 1.00 0.00 O ATOM 251 CB ALA A 16 17.945 -29.386 7.609 1.00 0.00 C ATOM 0 H ALA A 16 18.638 -29.223 10.001 1.00 0.00 H new ATOM 0 HA ALA A 16 17.095 -27.552 8.328 1.00 0.00 H new ATOM 0 HB1 ALA A 16 17.483 -29.297 6.626 1.00 0.00 H new ATOM 0 HB2 ALA A 16 18.959 -28.987 7.570 1.00 0.00 H new ATOM 0 HB3 ALA A 16 17.979 -30.436 7.900 1.00 0.00 H new ATOM 257 N THR A 17 15.516 -30.220 9.434 1.00 0.00 N ATOM 258 CA THR A 17 14.150 -30.795 9.559 1.00 0.00 C ATOM 259 C THR A 17 13.265 -29.752 10.235 1.00 0.00 C ATOM 260 O THR A 17 12.229 -29.373 9.728 1.00 0.00 O ATOM 261 CB THR A 17 14.195 -32.067 10.410 1.00 0.00 C ATOM 262 OG1 THR A 17 14.868 -33.092 9.692 1.00 0.00 O ATOM 263 CG2 THR A 17 12.770 -32.521 10.740 1.00 0.00 C ATOM 0 H THR A 17 16.245 -30.710 9.953 1.00 0.00 H new ATOM 0 HA THR A 17 13.755 -31.052 8.576 1.00 0.00 H new ATOM 0 HB THR A 17 14.729 -31.862 11.338 1.00 0.00 H new ATOM 0 HG1 THR A 17 15.834 -33.015 9.840 1.00 0.00 H new ATOM 0 HG21 THR A 17 12.808 -33.426 11.346 1.00 0.00 H new ATOM 0 HG22 THR A 17 12.257 -31.735 11.294 1.00 0.00 H new ATOM 0 HG23 THR A 17 12.230 -32.725 9.815 1.00 0.00 H new ATOM 271 N SER A 18 13.676 -29.283 11.383 1.00 0.00 N ATOM 272 CA SER A 18 12.877 -28.256 12.107 1.00 0.00 C ATOM 273 C SER A 18 12.429 -27.172 11.119 1.00 0.00 C ATOM 274 O SER A 18 11.302 -27.167 10.668 1.00 0.00 O ATOM 275 CB SER A 18 13.733 -27.635 13.216 1.00 0.00 C ATOM 276 OG SER A 18 14.737 -26.814 12.638 1.00 0.00 O ATOM 0 H SER A 18 14.536 -29.570 11.851 1.00 0.00 H new ATOM 0 HA SER A 18 11.997 -28.719 12.553 1.00 0.00 H new ATOM 0 HB2 SER A 18 13.107 -27.045 13.885 1.00 0.00 H new ATOM 0 HB3 SER A 18 14.192 -28.419 13.818 1.00 0.00 H new ATOM 0 HG SER A 18 15.255 -27.337 11.991 1.00 0.00 H new ATOM 282 N ILE A 19 13.299 -26.252 10.786 1.00 0.00 N ATOM 283 CA ILE A 19 12.963 -25.146 9.837 1.00 0.00 C ATOM 284 C ILE A 19 11.996 -25.605 8.731 1.00 0.00 C ATOM 285 O ILE A 19 10.987 -24.974 8.489 1.00 0.00 O ATOM 286 CB ILE A 19 14.306 -24.661 9.226 1.00 0.00 C ATOM 287 CG1 ILE A 19 14.977 -23.654 10.173 1.00 0.00 C ATOM 288 CG2 ILE A 19 14.106 -23.989 7.861 1.00 0.00 C ATOM 289 CD1 ILE A 19 15.333 -24.334 11.498 1.00 0.00 C ATOM 0 H ILE A 19 14.254 -26.221 11.142 1.00 0.00 H new ATOM 0 HA ILE A 19 12.452 -24.342 10.366 1.00 0.00 H new ATOM 0 HB ILE A 19 14.935 -25.541 9.091 1.00 0.00 H new ATOM 0 HG12 ILE A 19 15.877 -23.251 9.709 1.00 0.00 H new ATOM 0 HG13 ILE A 19 14.308 -22.813 10.355 1.00 0.00 H new ATOM 0 HG21 ILE A 19 15.071 -23.665 7.470 1.00 0.00 H new ATOM 0 HG22 ILE A 19 13.654 -24.699 7.169 1.00 0.00 H new ATOM 0 HG23 ILE A 19 13.451 -23.125 7.973 1.00 0.00 H new ATOM 0 HD11 ILE A 19 15.808 -23.611 12.162 1.00 0.00 H new ATOM 0 HD12 ILE A 19 14.426 -24.715 11.967 1.00 0.00 H new ATOM 0 HD13 ILE A 19 16.019 -25.160 11.310 1.00 0.00 H new ATOM 301 N GLU A 20 12.306 -26.664 8.038 1.00 0.00 N ATOM 302 CA GLU A 20 11.411 -27.117 6.929 1.00 0.00 C ATOM 303 C GLU A 20 9.939 -27.076 7.363 1.00 0.00 C ATOM 304 O GLU A 20 9.118 -26.448 6.727 1.00 0.00 O ATOM 305 CB GLU A 20 11.788 -28.546 6.516 1.00 0.00 C ATOM 306 CG GLU A 20 13.049 -28.516 5.645 1.00 0.00 C ATOM 307 CD GLU A 20 13.603 -29.933 5.495 1.00 0.00 C ATOM 308 OE1 GLU A 20 12.825 -30.867 5.602 1.00 0.00 O ATOM 309 OE2 GLU A 20 14.797 -30.062 5.275 1.00 0.00 O ATOM 0 H GLU A 20 13.137 -27.236 8.188 1.00 0.00 H new ATOM 0 HA GLU A 20 11.540 -26.443 6.082 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.961 -29.157 7.402 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.966 -29.005 5.967 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.816 -28.100 4.665 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.800 -27.867 6.096 1.00 0.00 H new ATOM 316 N ARG A 21 9.589 -27.756 8.420 1.00 0.00 N ATOM 317 CA ARG A 21 8.165 -27.771 8.863 1.00 0.00 C ATOM 318 C ARG A 21 7.856 -26.572 9.768 1.00 0.00 C ATOM 319 O ARG A 21 6.710 -26.215 9.961 1.00 0.00 O ATOM 320 CB ARG A 21 7.895 -29.066 9.632 1.00 0.00 C ATOM 321 CG ARG A 21 8.461 -30.280 8.847 1.00 0.00 C ATOM 322 CD ARG A 21 7.480 -31.454 8.914 1.00 0.00 C ATOM 323 NE ARG A 21 8.136 -32.682 8.385 1.00 0.00 N ATOM 324 CZ ARG A 21 7.607 -33.852 8.613 1.00 0.00 C ATOM 325 NH1 ARG A 21 6.462 -33.941 9.232 1.00 0.00 N ATOM 326 NH2 ARG A 21 8.223 -34.935 8.224 1.00 0.00 N ATOM 0 H ARG A 21 10.228 -28.303 8.997 1.00 0.00 H new ATOM 0 HA ARG A 21 7.526 -27.711 7.982 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.355 -29.015 10.619 1.00 0.00 H new ATOM 0 HB3 ARG A 21 6.823 -29.190 9.786 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.636 -30.001 7.808 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.423 -30.576 9.264 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.159 -31.615 9.943 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.586 -31.228 8.333 1.00 0.00 H new ATOM 0 HE ARG A 21 8.998 -32.608 7.845 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.980 -33.095 9.538 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.048 -34.856 9.410 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.119 -34.867 7.741 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.808 -35.850 8.403 1.00 0.00 H new ATOM 340 N LEU A 22 8.857 -25.950 10.332 1.00 0.00 N ATOM 341 CA LEU A 22 8.607 -24.780 11.229 1.00 0.00 C ATOM 342 C LEU A 22 8.521 -23.482 10.410 1.00 0.00 C ATOM 343 O LEU A 22 7.627 -22.681 10.591 1.00 0.00 O ATOM 344 CB LEU A 22 9.760 -24.682 12.251 1.00 0.00 C ATOM 345 CG LEU A 22 9.426 -25.498 13.515 1.00 0.00 C ATOM 346 CD1 LEU A 22 9.203 -26.969 13.134 1.00 0.00 C ATOM 347 CD2 LEU A 22 10.572 -25.387 14.553 1.00 0.00 C ATOM 0 H LEU A 22 9.838 -26.201 10.211 1.00 0.00 H new ATOM 0 HA LEU A 22 7.659 -24.919 11.749 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.683 -25.052 11.805 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.931 -23.639 12.518 1.00 0.00 H new ATOM 0 HG LEU A 22 8.516 -25.098 13.962 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.967 -27.545 14.029 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.376 -27.041 12.428 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.108 -27.367 12.675 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.318 -25.970 15.439 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.495 -25.771 14.118 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.710 -24.343 14.833 1.00 0.00 H new ATOM 359 N CYS A 23 9.457 -23.263 9.531 1.00 0.00 N ATOM 360 CA CYS A 23 9.453 -22.007 8.727 1.00 0.00 C ATOM 361 C CYS A 23 8.347 -22.039 7.666 1.00 0.00 C ATOM 362 O CYS A 23 7.975 -21.016 7.125 1.00 0.00 O ATOM 363 CB CYS A 23 10.812 -21.843 8.047 1.00 0.00 C ATOM 364 SG CYS A 23 12.041 -21.282 9.260 1.00 0.00 S ATOM 0 H CYS A 23 10.228 -23.901 9.333 1.00 0.00 H new ATOM 0 HA CYS A 23 9.263 -21.165 9.393 1.00 0.00 H new ATOM 0 HB2 CYS A 23 11.126 -22.790 7.608 1.00 0.00 H new ATOM 0 HB3 CYS A 23 10.737 -21.123 7.232 1.00 0.00 H new ATOM 369 N GLN A 24 7.818 -23.187 7.354 1.00 0.00 N ATOM 370 CA GLN A 24 6.746 -23.246 6.322 1.00 0.00 C ATOM 371 C GLN A 24 5.473 -22.588 6.870 1.00 0.00 C ATOM 372 O GLN A 24 4.555 -22.292 6.131 1.00 0.00 O ATOM 373 CB GLN A 24 6.467 -24.715 5.965 1.00 0.00 C ATOM 374 CG GLN A 24 7.470 -25.196 4.907 1.00 0.00 C ATOM 375 CD GLN A 24 7.063 -24.663 3.531 1.00 0.00 C ATOM 376 OE1 GLN A 24 7.446 -23.575 3.151 1.00 0.00 O ATOM 377 NE2 GLN A 24 6.297 -25.388 2.764 1.00 0.00 N ATOM 0 H GLN A 24 8.079 -24.083 7.766 1.00 0.00 H new ATOM 0 HA GLN A 24 7.065 -22.713 5.426 1.00 0.00 H new ATOM 0 HB2 GLN A 24 6.542 -25.336 6.858 1.00 0.00 H new ATOM 0 HB3 GLN A 24 5.450 -24.820 5.588 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.473 -24.851 5.159 1.00 0.00 H new ATOM 0 HG3 GLN A 24 7.502 -26.285 4.891 1.00 0.00 H new ATOM 0 HE21 GLN A 24 5.975 -26.302 3.082 1.00 0.00 H new ATOM 0 HE22 GLN A 24 6.020 -25.041 1.846 1.00 0.00 H new ATOM 386 N HIS A 25 5.411 -22.363 8.158 1.00 0.00 N ATOM 387 CA HIS A 25 4.198 -21.729 8.766 1.00 0.00 C ATOM 388 C HIS A 25 4.496 -20.274 9.135 1.00 0.00 C ATOM 389 O HIS A 25 3.608 -19.525 9.491 1.00 0.00 O ATOM 390 CB HIS A 25 3.812 -22.498 10.032 1.00 0.00 C ATOM 391 CG HIS A 25 3.321 -23.869 9.653 1.00 0.00 C ATOM 392 ND1 HIS A 25 2.078 -24.341 10.040 1.00 0.00 N ATOM 393 CD2 HIS A 25 3.895 -24.878 8.919 1.00 0.00 C ATOM 394 CE1 HIS A 25 1.943 -25.584 9.542 1.00 0.00 C ATOM 395 NE2 HIS A 25 3.022 -25.960 8.850 1.00 0.00 N ATOM 0 H HIS A 25 6.152 -22.592 8.820 1.00 0.00 H new ATOM 0 HA HIS A 25 3.380 -21.756 8.046 1.00 0.00 H new ATOM 0 HB2 HIS A 25 4.671 -22.578 10.698 1.00 0.00 H new ATOM 0 HB3 HIS A 25 3.036 -21.959 10.576 1.00 0.00 H new ATOM 0 HD2 HIS A 25 4.874 -24.838 8.465 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.069 -26.202 9.684 1.00 0.00 H new ATOM 0 HE2 HIS A 25 3.174 -26.849 8.373 1.00 0.00 H new ATOM 403 N TYR A 26 5.740 -19.867 9.066 1.00 0.00 N ATOM 404 CA TYR A 26 6.103 -18.463 9.425 1.00 0.00 C ATOM 405 C TYR A 26 6.337 -17.634 8.155 1.00 0.00 C ATOM 406 O TYR A 26 6.217 -18.114 7.044 1.00 0.00 O ATOM 407 CB TYR A 26 7.388 -18.482 10.269 1.00 0.00 C ATOM 408 CG TYR A 26 7.049 -18.774 11.717 1.00 0.00 C ATOM 409 CD1 TYR A 26 6.316 -17.843 12.463 1.00 0.00 C ATOM 410 CD2 TYR A 26 7.462 -19.973 12.311 1.00 0.00 C ATOM 411 CE1 TYR A 26 5.998 -18.110 13.800 1.00 0.00 C ATOM 412 CE2 TYR A 26 7.145 -20.241 13.646 1.00 0.00 C ATOM 413 CZ TYR A 26 6.412 -19.309 14.391 1.00 0.00 C ATOM 414 OH TYR A 26 6.099 -19.572 15.710 1.00 0.00 O ATOM 0 H TYR A 26 6.523 -20.452 8.774 1.00 0.00 H new ATOM 0 HA TYR A 26 5.288 -18.013 9.992 1.00 0.00 H new ATOM 0 HB2 TYR A 26 8.073 -19.239 9.887 1.00 0.00 H new ATOM 0 HB3 TYR A 26 7.898 -17.522 10.192 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.996 -16.918 12.007 1.00 0.00 H new ATOM 0 HD2 TYR A 26 8.027 -20.692 11.736 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.433 -17.391 14.375 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.465 -21.166 14.102 1.00 0.00 H new ATOM 0 HH TYR A 26 6.460 -20.447 15.964 1.00 0.00 H new ATOM 424 N ILE A 27 6.663 -16.383 8.335 1.00 0.00 N ATOM 425 CA ILE A 27 6.903 -15.481 7.168 1.00 0.00 C ATOM 426 C ILE A 27 8.377 -15.557 6.759 1.00 0.00 C ATOM 427 O ILE A 27 9.219 -15.976 7.526 1.00 0.00 O ATOM 428 CB ILE A 27 6.549 -14.040 7.557 1.00 0.00 C ATOM 429 CG1 ILE A 27 5.031 -13.915 7.737 1.00 0.00 C ATOM 430 CG2 ILE A 27 7.005 -13.078 6.456 1.00 0.00 C ATOM 431 CD1 ILE A 27 4.558 -14.775 8.917 1.00 0.00 C ATOM 0 H ILE A 27 6.775 -15.942 9.248 1.00 0.00 H new ATOM 0 HA ILE A 27 6.280 -15.793 6.330 1.00 0.00 H new ATOM 0 HB ILE A 27 7.053 -13.789 8.491 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.764 -12.872 7.909 1.00 0.00 H new ATOM 0 HG13 ILE A 27 4.523 -14.228 6.825 1.00 0.00 H new ATOM 0 HG21 ILE A 27 6.751 -12.056 6.738 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.084 -13.161 6.324 1.00 0.00 H new ATOM 0 HG23 ILE A 27 6.505 -13.332 5.521 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.479 -14.675 9.031 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.808 -15.819 8.729 1.00 0.00 H new ATOM 0 HD13 ILE A 27 5.051 -14.443 9.830 1.00 0.00 H new ATOM 443 N GLY A 28 8.674 -15.175 5.538 1.00 0.00 N ATOM 444 CA GLY A 28 10.083 -15.228 5.021 1.00 0.00 C ATOM 445 C GLY A 28 11.085 -14.926 6.139 1.00 0.00 C ATOM 446 O GLY A 28 12.067 -15.619 6.303 1.00 0.00 O ATOM 0 H GLY A 28 7.990 -14.824 4.867 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.285 -16.214 4.603 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.206 -14.507 4.212 1.00 0.00 H new ATOM 450 N TRP A 29 10.840 -13.912 6.922 1.00 0.00 N ATOM 451 CA TRP A 29 11.778 -13.602 8.034 1.00 0.00 C ATOM 452 C TRP A 29 11.642 -14.693 9.096 1.00 0.00 C ATOM 453 O TRP A 29 10.930 -14.539 10.068 1.00 0.00 O ATOM 454 CB TRP A 29 11.427 -12.242 8.642 1.00 0.00 C ATOM 455 CG TRP A 29 12.428 -11.899 9.699 1.00 0.00 C ATOM 456 CD1 TRP A 29 13.758 -11.770 9.493 1.00 0.00 C ATOM 457 CD2 TRP A 29 12.205 -11.639 11.115 1.00 0.00 C ATOM 458 NE1 TRP A 29 14.368 -11.449 10.693 1.00 0.00 N ATOM 459 CE2 TRP A 29 13.451 -11.357 11.723 1.00 0.00 C ATOM 460 CE3 TRP A 29 11.053 -11.622 11.922 1.00 0.00 C ATOM 461 CZ2 TRP A 29 13.551 -11.067 13.084 1.00 0.00 C ATOM 462 CZ3 TRP A 29 11.151 -11.332 13.293 1.00 0.00 C ATOM 463 CH2 TRP A 29 12.397 -11.054 13.872 1.00 0.00 C ATOM 0 H TRP A 29 10.036 -13.289 6.840 1.00 0.00 H new ATOM 0 HA TRP A 29 12.802 -13.566 7.662 1.00 0.00 H new ATOM 0 HB2 TRP A 29 11.422 -11.475 7.867 1.00 0.00 H new ATOM 0 HB3 TRP A 29 10.425 -12.270 9.070 1.00 0.00 H new ATOM 0 HD1 TRP A 29 14.262 -11.897 8.546 1.00 0.00 H new ATOM 0 HE1 TRP A 29 15.371 -11.299 10.804 1.00 0.00 H new ATOM 0 HE3 TRP A 29 10.088 -11.833 11.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 14.513 -10.854 13.525 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 10.261 -11.323 13.905 1.00 0.00 H new ATOM 0 HH2 TRP A 29 12.465 -10.830 14.926 1.00 0.00 H new ATOM 474 N CYS A 30 12.305 -15.807 8.908 1.00 0.00 N ATOM 475 CA CYS A 30 12.207 -16.929 9.891 1.00 0.00 C ATOM 476 C CYS A 30 13.383 -16.840 10.892 1.00 0.00 C ATOM 477 O CYS A 30 14.511 -17.103 10.526 1.00 0.00 O ATOM 478 CB CYS A 30 12.284 -18.258 9.115 1.00 0.00 C ATOM 479 SG CYS A 30 11.317 -19.529 9.969 1.00 0.00 S ATOM 0 H CYS A 30 12.914 -15.988 8.110 1.00 0.00 H new ATOM 0 HA CYS A 30 11.268 -16.871 10.442 1.00 0.00 H new ATOM 0 HB2 CYS A 30 11.905 -18.120 8.102 1.00 0.00 H new ATOM 0 HB3 CYS A 30 13.322 -18.577 9.026 1.00 0.00 H new ATOM 484 N PRO A 31 13.147 -16.480 12.142 1.00 0.00 N ATOM 485 CA PRO A 31 14.249 -16.384 13.143 1.00 0.00 C ATOM 486 C PRO A 31 14.684 -17.776 13.617 1.00 0.00 C ATOM 487 O PRO A 31 15.164 -17.953 14.720 1.00 0.00 O ATOM 488 CB PRO A 31 13.639 -15.569 14.293 1.00 0.00 C ATOM 489 CG PRO A 31 12.160 -15.800 14.205 1.00 0.00 C ATOM 490 CD PRO A 31 11.840 -16.132 12.738 1.00 0.00 C ATOM 0 HA PRO A 31 15.147 -15.919 12.735 1.00 0.00 H new ATOM 0 HB2 PRO A 31 14.031 -15.895 15.256 1.00 0.00 H new ATOM 0 HB3 PRO A 31 13.878 -14.510 14.194 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.858 -16.618 14.859 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.612 -14.915 14.528 1.00 0.00 H new ATOM 0 HD2 PRO A 31 11.137 -16.961 12.663 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.386 -15.282 12.229 1.00 0.00 H new ATOM 498 N PHE A 32 14.511 -18.761 12.778 1.00 0.00 N ATOM 499 CA PHE A 32 14.902 -20.157 13.144 1.00 0.00 C ATOM 500 C PHE A 32 16.273 -20.473 12.542 1.00 0.00 C ATOM 501 O PHE A 32 17.105 -21.100 13.167 1.00 0.00 O ATOM 502 CB PHE A 32 13.861 -21.135 12.591 1.00 0.00 C ATOM 503 CG PHE A 32 12.612 -21.081 13.444 1.00 0.00 C ATOM 504 CD1 PHE A 32 11.763 -19.971 13.369 1.00 0.00 C ATOM 505 CD2 PHE A 32 12.305 -22.139 14.309 1.00 0.00 C ATOM 506 CE1 PHE A 32 10.607 -19.918 14.158 1.00 0.00 C ATOM 507 CE2 PHE A 32 11.149 -22.085 15.097 1.00 0.00 C ATOM 508 CZ PHE A 32 10.301 -20.975 15.021 1.00 0.00 C ATOM 0 H PHE A 32 14.112 -18.659 11.845 1.00 0.00 H new ATOM 0 HA PHE A 32 14.951 -20.253 14.229 1.00 0.00 H new ATOM 0 HB2 PHE A 32 13.620 -20.881 11.559 1.00 0.00 H new ATOM 0 HB3 PHE A 32 14.265 -22.147 12.584 1.00 0.00 H new ATOM 0 HD1 PHE A 32 11.999 -19.155 12.702 1.00 0.00 H new ATOM 0 HD2 PHE A 32 12.960 -22.996 14.368 1.00 0.00 H new ATOM 0 HE1 PHE A 32 9.952 -19.061 14.100 1.00 0.00 H new ATOM 0 HE2 PHE A 32 10.912 -22.901 15.764 1.00 0.00 H new ATOM 0 HZ PHE A 32 9.409 -20.934 15.629 1.00 0.00 H new ATOM 518 N TRP A 33 16.514 -20.045 11.334 1.00 0.00 N ATOM 519 CA TRP A 33 17.831 -20.324 10.696 1.00 0.00 C ATOM 520 C TRP A 33 18.958 -19.942 11.661 1.00 0.00 C ATOM 521 O TRP A 33 19.034 -18.779 12.022 1.00 0.00 O ATOM 522 CB TRP A 33 17.961 -19.500 9.412 1.00 0.00 C ATOM 523 CG TRP A 33 17.091 -20.087 8.344 1.00 0.00 C ATOM 524 CD1 TRP A 33 17.154 -21.365 7.904 1.00 0.00 C ATOM 525 CD2 TRP A 33 16.034 -19.442 7.575 1.00 0.00 C ATOM 526 NE1 TRP A 33 16.200 -21.546 6.920 1.00 0.00 N ATOM 527 CE2 TRP A 33 15.484 -20.391 6.681 1.00 0.00 C ATOM 528 CE3 TRP A 33 15.504 -18.140 7.568 1.00 0.00 C ATOM 529 CZ2 TRP A 33 14.444 -20.060 5.811 1.00 0.00 C ATOM 530 CZ3 TRP A 33 14.458 -17.803 6.694 1.00 0.00 C ATOM 531 CH2 TRP A 33 13.929 -18.761 5.817 1.00 0.00 C ATOM 532 OXT TRP A 33 19.724 -20.820 12.022 1.00 0.00 O ATOM 0 H TRP A 33 15.857 -19.515 10.762 1.00 0.00 H new ATOM 0 HA TRP A 33 17.900 -21.385 10.457 1.00 0.00 H new ATOM 0 HB2 TRP A 33 17.673 -18.466 9.602 1.00 0.00 H new ATOM 0 HB3 TRP A 33 19.000 -19.486 9.081 1.00 0.00 H new ATOM 0 HD1 TRP A 33 17.838 -22.120 8.263 1.00 0.00 H new ATOM 0 HE1 TRP A 33 16.044 -22.427 6.430 1.00 0.00 H new ATOM 0 HE3 TRP A 33 15.904 -17.394 8.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 14.040 -20.802 5.138 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 14.058 -16.800 6.697 1.00 0.00 H new ATOM 0 HH2 TRP A 33 13.125 -18.495 5.147 1.00 0.00 H new TER 543 TRP A 33