USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 404 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 2 THR OG1 : rot -170:sc= -0.142 USER MOD Single : A 23 GLN : amide:sc= -0.667 K(o=-0.67,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.0441 K(o=-0.044,f=-2.3!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 89:sc= 0.44 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 44 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00889) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -26:sc= 0.112 USER MOD ----------------------------------------------------------------- ATOM 23 N THR A 2 -3.818 -35.319 5.289 1.00 24.14 N ATOM 24 CA THR A 2 -3.180 -35.721 4.012 1.00 33.15 C ATOM 25 C THR A 2 -2.238 -34.627 3.473 1.00 2.15 C ATOM 26 O THR A 2 -2.399 -33.435 3.781 1.00 72.01 O ATOM 27 CB THR A 2 -4.246 -36.047 2.909 1.00 54.11 C ATOM 28 OG1 THR A 2 -4.910 -34.843 2.500 1.00 63.33 O ATOM 29 CG2 THR A 2 -5.295 -37.068 3.392 1.00 41.11 C ATOM 0 HA THR A 2 -2.602 -36.618 4.235 1.00 33.15 H new ATOM 0 HB THR A 2 -3.713 -36.490 2.068 1.00 54.11 H new ATOM 0 HG1 THR A 2 -5.677 -35.069 1.933 1.00 63.33 H new ATOM 0 HG21 THR A 2 -6.011 -37.260 2.593 1.00 41.11 H new ATOM 0 HG22 THR A 2 -4.798 -37.999 3.666 1.00 41.11 H new ATOM 0 HG23 THR A 2 -5.819 -36.668 4.260 1.00 41.11 H new ATOM 37 N LEU A 3 -1.267 -35.053 2.645 1.00 41.22 N ATOM 38 CA LEU A 3 -0.378 -34.132 1.894 1.00 51.30 C ATOM 39 C LEU A 3 -1.184 -33.294 0.866 1.00 11.23 C ATOM 40 O LEU A 3 -0.716 -32.243 0.412 1.00 41.12 O ATOM 41 CB LEU A 3 0.770 -34.910 1.169 1.00 43.45 C ATOM 42 CG LEU A 3 1.878 -35.571 2.069 1.00 42.10 C ATOM 43 CD1 LEU A 3 2.517 -34.548 3.026 1.00 0.31 C ATOM 44 CD2 LEU A 3 1.353 -36.808 2.833 1.00 62.40 C ATOM 0 H LEU A 3 -1.073 -36.040 2.474 1.00 41.22 H new ATOM 0 HA LEU A 3 0.073 -33.455 2.620 1.00 51.30 H new ATOM 0 HB2 LEU A 3 0.315 -35.695 0.564 1.00 43.45 H new ATOM 0 HB3 LEU A 3 1.261 -34.222 0.481 1.00 43.45 H new ATOM 0 HG LEU A 3 2.658 -35.924 1.395 1.00 42.10 H new ATOM 0 HD11 LEU A 3 3.277 -35.042 3.631 1.00 0.31 H new ATOM 0 HD12 LEU A 3 2.977 -33.747 2.448 1.00 0.31 H new ATOM 0 HD13 LEU A 3 1.749 -34.130 3.678 1.00 0.31 H new ATOM 0 HD21 LEU A 3 2.155 -37.228 3.440 1.00 62.40 H new ATOM 0 HD22 LEU A 3 0.526 -36.513 3.479 1.00 62.40 H new ATOM 0 HD23 LEU A 3 1.007 -37.556 2.120 1.00 62.40 H new ATOM 56 N ILE A 4 -2.396 -33.770 0.518 1.00 3.12 N ATOM 57 CA ILE A 4 -3.296 -33.077 -0.430 1.00 53.10 C ATOM 58 C ILE A 4 -3.928 -31.830 0.230 1.00 31.14 C ATOM 59 O ILE A 4 -3.896 -30.749 -0.348 1.00 24.24 O ATOM 60 CB ILE A 4 -4.419 -34.048 -0.968 1.00 43.52 C ATOM 61 CG1 ILE A 4 -3.777 -35.318 -1.626 1.00 1.23 C ATOM 62 CG2 ILE A 4 -5.370 -33.322 -1.958 1.00 21.12 C ATOM 63 CD1 ILE A 4 -2.821 -35.027 -2.781 1.00 54.03 C ATOM 0 H ILE A 4 -2.779 -34.642 0.883 1.00 3.12 H new ATOM 0 HA ILE A 4 -2.697 -32.753 -1.281 1.00 53.10 H new ATOM 0 HB ILE A 4 -5.021 -34.371 -0.119 1.00 43.52 H new ATOM 0 HG12 ILE A 4 -3.239 -35.875 -0.859 1.00 1.23 H new ATOM 0 HG13 ILE A 4 -4.576 -35.965 -1.988 1.00 1.23 H new ATOM 0 HG21 ILE A 4 -6.131 -34.019 -2.309 1.00 21.12 H new ATOM 0 HG22 ILE A 4 -5.851 -32.484 -1.453 1.00 21.12 H new ATOM 0 HG23 ILE A 4 -4.797 -32.952 -2.808 1.00 21.12 H new ATOM 0 HD11 ILE A 4 -2.427 -35.965 -3.172 1.00 54.03 H new ATOM 0 HD12 ILE A 4 -3.355 -34.500 -3.572 1.00 54.03 H new ATOM 0 HD13 ILE A 4 -1.998 -34.408 -2.425 1.00 54.03 H new ATOM 75 N GLU A 5 -4.473 -32.003 1.454 1.00 12.34 N ATOM 76 CA GLU A 5 -5.043 -30.890 2.262 1.00 73.02 C ATOM 77 C GLU A 5 -4.000 -29.776 2.495 1.00 43.23 C ATOM 78 O GLU A 5 -4.304 -28.594 2.348 1.00 51.13 O ATOM 79 CB GLU A 5 -5.574 -31.427 3.625 1.00 74.31 C ATOM 80 CG GLU A 5 -6.778 -32.391 3.511 1.00 31.44 C ATOM 81 CD GLU A 5 -7.202 -33.000 4.864 1.00 12.12 C ATOM 82 OE1 GLU A 5 -6.574 -33.985 5.309 1.00 74.21 O ATOM 83 OE2 GLU A 5 -8.154 -32.485 5.496 1.00 12.35 O ATOM 0 H GLU A 5 -4.533 -32.912 1.913 1.00 12.34 H new ATOM 0 HA GLU A 5 -5.874 -30.461 1.703 1.00 73.02 H new ATOM 0 HB2 GLU A 5 -4.762 -31.940 4.140 1.00 74.31 H new ATOM 0 HB3 GLU A 5 -5.861 -30.580 4.248 1.00 74.31 H new ATOM 0 HG2 GLU A 5 -7.624 -31.855 3.080 1.00 31.44 H new ATOM 0 HG3 GLU A 5 -6.526 -33.196 2.821 1.00 31.44 H new ATOM 90 N LEU A 6 -2.766 -30.188 2.840 1.00 65.23 N ATOM 91 CA LEU A 6 -1.610 -29.273 2.982 1.00 10.12 C ATOM 92 C LEU A 6 -1.320 -28.522 1.674 1.00 32.32 C ATOM 93 O LEU A 6 -1.143 -27.309 1.690 1.00 62.32 O ATOM 94 CB LEU A 6 -0.362 -30.078 3.426 1.00 50.15 C ATOM 95 CG LEU A 6 -0.476 -30.782 4.809 1.00 72.40 C ATOM 96 CD1 LEU A 6 0.707 -31.745 5.061 1.00 31.23 C ATOM 97 CD2 LEU A 6 -0.611 -29.745 5.951 1.00 61.21 C ATOM 0 H LEU A 6 -2.539 -31.164 3.029 1.00 65.23 H new ATOM 0 HA LEU A 6 -1.855 -28.529 3.740 1.00 10.12 H new ATOM 0 HB2 LEU A 6 -0.151 -30.834 2.670 1.00 50.15 H new ATOM 0 HB3 LEU A 6 0.494 -29.404 3.451 1.00 50.15 H new ATOM 0 HG LEU A 6 -1.384 -31.385 4.795 1.00 72.40 H new ATOM 0 HD11 LEU A 6 0.591 -32.217 6.037 1.00 31.23 H new ATOM 0 HD12 LEU A 6 0.723 -32.512 4.287 1.00 31.23 H new ATOM 0 HD13 LEU A 6 1.642 -31.186 5.037 1.00 31.23 H new ATOM 0 HD21 LEU A 6 -0.689 -30.264 6.906 1.00 61.21 H new ATOM 0 HD22 LEU A 6 0.266 -29.098 5.960 1.00 61.21 H new ATOM 0 HD23 LEU A 6 -1.505 -29.142 5.791 1.00 61.21 H new ATOM 109 N LEU A 7 -1.293 -29.265 0.554 1.00 73.14 N ATOM 110 CA LEU A 7 -1.057 -28.703 -0.789 1.00 12.03 C ATOM 111 C LEU A 7 -2.079 -27.595 -1.146 1.00 63.11 C ATOM 112 O LEU A 7 -1.710 -26.585 -1.750 1.00 15.25 O ATOM 113 CB LEU A 7 -1.113 -29.834 -1.847 1.00 31.43 C ATOM 114 CG LEU A 7 -0.704 -29.426 -3.294 1.00 2.55 C ATOM 115 CD1 LEU A 7 0.769 -28.969 -3.344 1.00 2.22 C ATOM 116 CD2 LEU A 7 -0.973 -30.571 -4.293 1.00 62.13 C ATOM 0 H LEU A 7 -1.435 -30.275 0.554 1.00 73.14 H new ATOM 0 HA LEU A 7 -0.068 -28.246 -0.786 1.00 12.03 H new ATOM 0 HB2 LEU A 7 -0.462 -30.645 -1.520 1.00 31.43 H new ATOM 0 HB3 LEU A 7 -2.128 -30.231 -1.874 1.00 31.43 H new ATOM 0 HG LEU A 7 -1.323 -28.580 -3.592 1.00 2.55 H new ATOM 0 HD11 LEU A 7 1.029 -28.690 -4.365 1.00 2.22 H new ATOM 0 HD12 LEU A 7 0.906 -28.110 -2.687 1.00 2.22 H new ATOM 0 HD13 LEU A 7 1.414 -29.784 -3.015 1.00 2.22 H new ATOM 0 HD21 LEU A 7 -0.678 -30.257 -5.294 1.00 62.13 H new ATOM 0 HD22 LEU A 7 -0.396 -31.450 -4.003 1.00 62.13 H new ATOM 0 HD23 LEU A 7 -2.035 -30.816 -4.288 1.00 62.13 H new ATOM 128 N ILE A 8 -3.364 -27.812 -0.775 1.00 2.43 N ATOM 129 CA ILE A 8 -4.454 -26.859 -1.002 1.00 35.42 C ATOM 130 C ILE A 8 -4.259 -25.578 -0.169 1.00 24.12 C ATOM 131 O ILE A 8 -4.334 -24.482 -0.713 1.00 62.30 O ATOM 132 CB ILE A 8 -5.835 -27.527 -0.644 1.00 34.12 C ATOM 133 CG1 ILE A 8 -6.090 -28.793 -1.527 1.00 22.02 C ATOM 134 CG2 ILE A 8 -7.001 -26.523 -0.767 1.00 42.12 C ATOM 135 CD1 ILE A 8 -7.242 -29.667 -1.062 1.00 72.52 C ATOM 0 H ILE A 8 -3.666 -28.666 -0.305 1.00 2.43 H new ATOM 0 HA ILE A 8 -4.447 -26.582 -2.056 1.00 35.42 H new ATOM 0 HB ILE A 8 -5.785 -27.844 0.398 1.00 34.12 H new ATOM 0 HG12 ILE A 8 -6.284 -28.473 -2.551 1.00 22.02 H new ATOM 0 HG13 ILE A 8 -5.181 -29.394 -1.548 1.00 22.02 H new ATOM 0 HG21 ILE A 8 -7.937 -27.020 -0.512 1.00 42.12 H new ATOM 0 HG22 ILE A 8 -6.836 -25.688 -0.086 1.00 42.12 H new ATOM 0 HG23 ILE A 8 -7.054 -26.151 -1.790 1.00 42.12 H new ATOM 0 HD11 ILE A 8 -7.345 -30.520 -1.733 1.00 72.52 H new ATOM 0 HD12 ILE A 8 -7.044 -30.022 -0.051 1.00 72.52 H new ATOM 0 HD13 ILE A 8 -8.165 -29.087 -1.069 1.00 72.52 H new ATOM 147 N VAL A 9 -4.010 -25.738 1.150 1.00 35.14 N ATOM 148 CA VAL A 9 -3.783 -24.616 2.079 1.00 34.45 C ATOM 149 C VAL A 9 -2.582 -23.745 1.629 1.00 51.43 C ATOM 150 O VAL A 9 -2.656 -22.511 1.638 1.00 34.11 O ATOM 151 CB VAL A 9 -3.562 -25.157 3.544 1.00 75.03 C ATOM 152 CG1 VAL A 9 -3.201 -24.029 4.524 1.00 12.40 C ATOM 153 CG2 VAL A 9 -4.812 -25.924 4.035 1.00 31.43 C ATOM 0 H VAL A 9 -3.961 -26.653 1.598 1.00 35.14 H new ATOM 0 HA VAL A 9 -4.671 -23.983 2.069 1.00 34.45 H new ATOM 0 HB VAL A 9 -2.717 -25.845 3.513 1.00 75.03 H new ATOM 0 HG11 VAL A 9 -3.058 -24.445 5.521 1.00 12.40 H new ATOM 0 HG12 VAL A 9 -2.281 -23.544 4.197 1.00 12.40 H new ATOM 0 HG13 VAL A 9 -4.008 -23.297 4.549 1.00 12.40 H new ATOM 0 HG21 VAL A 9 -4.640 -26.289 5.047 1.00 31.43 H new ATOM 0 HG22 VAL A 9 -5.673 -25.256 4.032 1.00 31.43 H new ATOM 0 HG23 VAL A 9 -5.005 -26.768 3.372 1.00 31.43 H new ATOM 163 N VAL A 10 -1.488 -24.399 1.227 1.00 41.32 N ATOM 164 CA VAL A 10 -0.300 -23.717 0.701 1.00 73.41 C ATOM 165 C VAL A 10 -0.588 -23.032 -0.664 1.00 23.45 C ATOM 166 O VAL A 10 -0.078 -21.938 -0.923 1.00 43.10 O ATOM 167 CB VAL A 10 0.891 -24.739 0.584 1.00 75.24 C ATOM 168 CG1 VAL A 10 2.117 -24.128 -0.106 1.00 41.41 C ATOM 169 CG2 VAL A 10 1.271 -25.283 1.979 1.00 72.34 C ATOM 0 H VAL A 10 -1.400 -25.415 1.257 1.00 41.32 H new ATOM 0 HA VAL A 10 -0.021 -22.927 1.398 1.00 73.41 H new ATOM 0 HB VAL A 10 0.549 -25.564 -0.041 1.00 75.24 H new ATOM 0 HG11 VAL A 10 2.911 -24.872 -0.163 1.00 41.41 H new ATOM 0 HG12 VAL A 10 1.847 -23.809 -1.112 1.00 41.41 H new ATOM 0 HG13 VAL A 10 2.466 -23.268 0.466 1.00 41.41 H new ATOM 0 HG21 VAL A 10 2.096 -25.989 1.882 1.00 72.34 H new ATOM 0 HG22 VAL A 10 1.574 -24.456 2.622 1.00 72.34 H new ATOM 0 HG23 VAL A 10 0.411 -25.788 2.419 1.00 72.34 H new ATOM 179 N ALA A 11 -1.430 -23.667 -1.513 1.00 23.14 N ATOM 180 CA ALA A 11 -1.786 -23.119 -2.844 1.00 23.31 C ATOM 181 C ALA A 11 -2.623 -21.826 -2.714 1.00 75.52 C ATOM 182 O ALA A 11 -2.252 -20.785 -3.268 1.00 41.44 O ATOM 183 CB ALA A 11 -2.546 -24.166 -3.683 1.00 10.23 C ATOM 0 H ALA A 11 -1.876 -24.559 -1.300 1.00 23.14 H new ATOM 0 HA ALA A 11 -0.856 -22.871 -3.356 1.00 23.31 H new ATOM 0 HB1 ALA A 11 -2.797 -23.741 -4.655 1.00 10.23 H new ATOM 0 HB2 ALA A 11 -1.918 -25.046 -3.823 1.00 10.23 H new ATOM 0 HB3 ALA A 11 -3.462 -24.452 -3.165 1.00 10.23 H new ATOM 189 N ILE A 12 -3.733 -21.905 -1.945 1.00 14.24 N ATOM 190 CA ILE A 12 -4.689 -20.798 -1.785 1.00 51.51 C ATOM 191 C ILE A 12 -4.036 -19.573 -1.087 1.00 34.32 C ATOM 192 O ILE A 12 -4.130 -18.459 -1.615 1.00 54.02 O ATOM 193 CB ILE A 12 -6.004 -21.262 -1.043 1.00 50.43 C ATOM 194 CG1 ILE A 12 -5.711 -21.804 0.392 1.00 44.22 C ATOM 195 CG2 ILE A 12 -6.753 -22.321 -1.889 1.00 61.25 C ATOM 196 CD1 ILE A 12 -6.929 -22.236 1.188 1.00 55.31 C ATOM 0 H ILE A 12 -3.987 -22.742 -1.419 1.00 14.24 H new ATOM 0 HA ILE A 12 -4.982 -20.480 -2.785 1.00 51.51 H new ATOM 0 HB ILE A 12 -6.642 -20.386 -0.927 1.00 50.43 H new ATOM 0 HG12 ILE A 12 -5.033 -22.653 0.309 1.00 44.22 H new ATOM 0 HG13 ILE A 12 -5.187 -21.031 0.954 1.00 44.22 H new ATOM 0 HG21 ILE A 12 -7.657 -22.632 -1.366 1.00 61.25 H new ATOM 0 HG22 ILE A 12 -7.022 -21.892 -2.854 1.00 61.25 H new ATOM 0 HG23 ILE A 12 -6.108 -23.186 -2.044 1.00 61.25 H new ATOM 0 HD11 ILE A 12 -6.615 -22.595 2.168 1.00 55.31 H new ATOM 0 HD12 ILE A 12 -7.603 -21.388 1.311 1.00 55.31 H new ATOM 0 HD13 ILE A 12 -7.446 -23.036 0.657 1.00 55.31 H new ATOM 208 N ILE A 13 -3.315 -19.795 0.059 1.00 4.13 N ATOM 209 CA ILE A 13 -2.562 -18.723 0.765 1.00 62.54 C ATOM 210 C ILE A 13 -1.411 -18.204 -0.134 1.00 64.34 C ATOM 211 O ILE A 13 -1.092 -17.011 -0.110 1.00 73.41 O ATOM 212 CB ILE A 13 -2.003 -19.210 2.186 1.00 75.11 C ATOM 213 CG1 ILE A 13 -3.106 -19.155 3.307 1.00 22.22 C ATOM 214 CG2 ILE A 13 -0.751 -18.416 2.644 1.00 41.52 C ATOM 215 CD1 ILE A 13 -4.222 -20.172 3.187 1.00 5.32 C ATOM 0 H ILE A 13 -3.245 -20.709 0.507 1.00 4.13 H new ATOM 0 HA ILE A 13 -3.256 -17.906 0.964 1.00 62.54 H new ATOM 0 HB ILE A 13 -1.707 -20.248 2.038 1.00 75.11 H new ATOM 0 HG12 ILE A 13 -2.621 -19.289 4.274 1.00 22.22 H new ATOM 0 HG13 ILE A 13 -3.547 -18.158 3.307 1.00 22.22 H new ATOM 0 HG21 ILE A 13 -0.417 -18.790 3.612 1.00 41.52 H new ATOM 0 HG22 ILE A 13 0.047 -18.541 1.912 1.00 41.52 H new ATOM 0 HG23 ILE A 13 -1.002 -17.359 2.730 1.00 41.52 H new ATOM 0 HD11 ILE A 13 -4.923 -20.042 4.011 1.00 5.32 H new ATOM 0 HD12 ILE A 13 -4.744 -20.030 2.241 1.00 5.32 H new ATOM 0 HD13 ILE A 13 -3.803 -21.178 3.223 1.00 5.32 H new ATOM 227 N GLY A 14 -0.837 -19.115 -0.951 1.00 63.43 N ATOM 228 CA GLY A 14 0.230 -18.776 -1.900 1.00 32.41 C ATOM 229 C GLY A 14 -0.186 -17.716 -2.929 1.00 21.04 C ATOM 230 O GLY A 14 0.613 -16.848 -3.282 1.00 2.44 O ATOM 0 H GLY A 14 -1.104 -20.099 -0.966 1.00 63.43 H new ATOM 0 HA2 GLY A 14 1.097 -18.415 -1.347 1.00 32.41 H new ATOM 0 HA3 GLY A 14 0.540 -19.680 -2.425 1.00 32.41 H new ATOM 234 N ILE A 15 -1.454 -17.784 -3.393 1.00 31.24 N ATOM 235 CA ILE A 15 -2.035 -16.790 -4.321 1.00 41.44 C ATOM 236 C ILE A 15 -2.299 -15.450 -3.595 1.00 42.14 C ATOM 237 O ILE A 15 -1.969 -14.380 -4.120 1.00 65.31 O ATOM 238 CB ILE A 15 -3.378 -17.348 -4.927 1.00 34.13 C ATOM 239 CG1 ILE A 15 -3.121 -18.730 -5.623 1.00 30.42 C ATOM 240 CG2 ILE A 15 -4.026 -16.334 -5.912 1.00 0.01 C ATOM 241 CD1 ILE A 15 -4.316 -19.657 -5.650 1.00 23.22 C ATOM 0 H ILE A 15 -2.102 -18.528 -3.135 1.00 31.24 H new ATOM 0 HA ILE A 15 -1.323 -16.609 -5.126 1.00 41.44 H new ATOM 0 HB ILE A 15 -4.085 -17.496 -4.111 1.00 34.13 H new ATOM 0 HG12 ILE A 15 -2.795 -18.550 -6.647 1.00 30.42 H new ATOM 0 HG13 ILE A 15 -2.300 -19.232 -5.111 1.00 30.42 H new ATOM 0 HG21 ILE A 15 -4.950 -16.753 -6.310 1.00 0.01 H new ATOM 0 HG22 ILE A 15 -4.246 -15.405 -5.386 1.00 0.01 H new ATOM 0 HG23 ILE A 15 -3.337 -16.132 -6.732 1.00 0.01 H new ATOM 0 HD11 ILE A 15 -4.044 -20.587 -6.150 1.00 23.22 H new ATOM 0 HD12 ILE A 15 -4.632 -19.873 -4.629 1.00 23.22 H new ATOM 0 HD13 ILE A 15 -5.134 -19.180 -6.190 1.00 23.22 H new ATOM 253 N LEU A 16 -2.878 -15.543 -2.376 1.00 72.01 N ATOM 254 CA LEU A 16 -3.195 -14.363 -1.527 1.00 71.11 C ATOM 255 C LEU A 16 -1.920 -13.558 -1.194 1.00 32.21 C ATOM 256 O LEU A 16 -1.946 -12.339 -1.152 1.00 65.43 O ATOM 257 CB LEU A 16 -3.887 -14.788 -0.197 1.00 21.21 C ATOM 258 CG LEU A 16 -5.080 -15.791 -0.312 1.00 51.25 C ATOM 259 CD1 LEU A 16 -5.767 -16.024 1.052 1.00 72.33 C ATOM 260 CD2 LEU A 16 -6.098 -15.378 -1.399 1.00 64.33 C ATOM 0 H LEU A 16 -3.139 -16.433 -1.951 1.00 72.01 H new ATOM 0 HA LEU A 16 -3.879 -13.737 -2.100 1.00 71.11 H new ATOM 0 HB2 LEU A 16 -3.132 -15.231 0.452 1.00 21.21 H new ATOM 0 HB3 LEU A 16 -4.247 -13.888 0.301 1.00 21.21 H new ATOM 0 HG LEU A 16 -4.653 -16.742 -0.630 1.00 51.25 H new ATOM 0 HD11 LEU A 16 -6.591 -16.727 0.929 1.00 72.33 H new ATOM 0 HD12 LEU A 16 -5.044 -16.432 1.758 1.00 72.33 H new ATOM 0 HD13 LEU A 16 -6.151 -15.078 1.432 1.00 72.33 H new ATOM 0 HD21 LEU A 16 -6.906 -16.109 -1.437 1.00 64.33 H new ATOM 0 HD22 LEU A 16 -6.507 -14.396 -1.160 1.00 64.33 H new ATOM 0 HD23 LEU A 16 -5.600 -15.337 -2.368 1.00 64.33 H new ATOM 272 N ALA A 17 -0.812 -14.285 -0.962 1.00 35.40 N ATOM 273 CA ALA A 17 0.504 -13.693 -0.661 1.00 33.44 C ATOM 274 C ALA A 17 1.138 -13.087 -1.929 1.00 44.22 C ATOM 275 O ALA A 17 1.560 -11.932 -1.935 1.00 52.52 O ATOM 276 CB ALA A 17 1.429 -14.757 -0.043 1.00 35.42 C ATOM 0 H ALA A 17 -0.805 -15.305 -0.978 1.00 35.40 H new ATOM 0 HA ALA A 17 0.366 -12.887 0.059 1.00 33.44 H new ATOM 0 HB1 ALA A 17 2.400 -14.312 0.177 1.00 35.42 H new ATOM 0 HB2 ALA A 17 0.985 -15.134 0.879 1.00 35.42 H new ATOM 0 HB3 ALA A 17 1.558 -15.580 -0.746 1.00 35.42 H new ATOM 282 N ALA A 18 1.140 -13.877 -3.016 1.00 12.30 N ATOM 283 CA ALA A 18 1.738 -13.491 -4.320 1.00 71.13 C ATOM 284 C ALA A 18 1.153 -12.177 -4.881 1.00 71.20 C ATOM 285 O ALA A 18 1.835 -11.467 -5.627 1.00 52.52 O ATOM 286 CB ALA A 18 1.585 -14.634 -5.344 1.00 11.32 C ATOM 0 H ALA A 18 0.726 -14.809 -3.022 1.00 12.30 H new ATOM 0 HA ALA A 18 2.798 -13.311 -4.140 1.00 71.13 H new ATOM 0 HB1 ALA A 18 2.029 -14.334 -6.293 1.00 11.32 H new ATOM 0 HB2 ALA A 18 2.091 -15.525 -4.973 1.00 11.32 H new ATOM 0 HB3 ALA A 18 0.527 -14.852 -5.491 1.00 11.32 H new ATOM 292 N ILE A 19 -0.108 -11.859 -4.526 1.00 52.05 N ATOM 293 CA ILE A 19 -0.722 -10.555 -4.873 1.00 4.45 C ATOM 294 C ILE A 19 -0.506 -9.500 -3.766 1.00 44.31 C ATOM 295 O ILE A 19 -0.224 -8.350 -4.073 1.00 25.23 O ATOM 296 CB ILE A 19 -2.246 -10.690 -5.264 1.00 34.40 C ATOM 297 CG1 ILE A 19 -3.140 -11.312 -4.135 1.00 14.05 C ATOM 298 CG2 ILE A 19 -2.393 -11.492 -6.577 1.00 64.23 C ATOM 299 CD1 ILE A 19 -3.711 -10.302 -3.159 1.00 54.22 C ATOM 0 H ILE A 19 -0.722 -12.482 -4.001 1.00 52.05 H new ATOM 0 HA ILE A 19 -0.202 -10.198 -5.762 1.00 4.45 H new ATOM 0 HB ILE A 19 -2.613 -9.674 -5.408 1.00 34.40 H new ATOM 0 HG12 ILE A 19 -3.963 -11.856 -4.599 1.00 14.05 H new ATOM 0 HG13 ILE A 19 -2.549 -12.041 -3.580 1.00 14.05 H new ATOM 0 HG21 ILE A 19 -3.449 -11.578 -6.835 1.00 64.23 H new ATOM 0 HG22 ILE A 19 -1.864 -10.977 -7.379 1.00 64.23 H new ATOM 0 HG23 ILE A 19 -1.970 -12.488 -6.444 1.00 64.23 H new ATOM 0 HD11 ILE A 19 -4.315 -10.818 -2.413 1.00 54.22 H new ATOM 0 HD12 ILE A 19 -2.896 -9.774 -2.664 1.00 54.22 H new ATOM 0 HD13 ILE A 19 -4.332 -9.587 -3.698 1.00 54.22 H new ATOM 311 N ALA A 20 -0.571 -9.920 -2.490 1.00 35.13 N ATOM 312 CA ALA A 20 -0.575 -8.989 -1.328 1.00 73.12 C ATOM 313 C ALA A 20 0.746 -8.238 -1.155 1.00 44.21 C ATOM 314 O ALA A 20 0.736 -7.021 -1.032 1.00 54.13 O ATOM 315 CB ALA A 20 -0.935 -9.724 -0.028 1.00 75.31 C ATOM 0 H ALA A 20 -0.622 -10.904 -2.228 1.00 35.13 H new ATOM 0 HA ALA A 20 -1.342 -8.246 -1.545 1.00 73.12 H new ATOM 0 HB1 ALA A 20 -0.930 -9.018 0.803 1.00 75.31 H new ATOM 0 HB2 ALA A 20 -1.927 -10.166 -0.123 1.00 75.31 H new ATOM 0 HB3 ALA A 20 -0.204 -10.510 0.160 1.00 75.31 H new ATOM 321 N ILE A 21 1.873 -8.975 -1.160 1.00 21.25 N ATOM 322 CA ILE A 21 3.216 -8.393 -0.903 1.00 65.44 C ATOM 323 C ILE A 21 3.591 -7.272 -1.932 1.00 74.24 C ATOM 324 O ILE A 21 3.897 -6.157 -1.503 1.00 71.32 O ATOM 325 CB ILE A 21 4.355 -9.502 -0.797 1.00 73.12 C ATOM 326 CG1 ILE A 21 4.256 -10.314 0.542 1.00 33.32 C ATOM 327 CG2 ILE A 21 5.769 -8.893 -0.954 1.00 43.13 C ATOM 328 CD1 ILE A 21 3.104 -11.298 0.641 1.00 11.33 C ATOM 0 H ILE A 21 1.886 -9.979 -1.339 1.00 21.25 H new ATOM 0 HA ILE A 21 3.151 -7.916 0.075 1.00 65.44 H new ATOM 0 HB ILE A 21 4.191 -10.193 -1.624 1.00 73.12 H new ATOM 0 HG12 ILE A 21 5.188 -10.861 0.681 1.00 33.32 H new ATOM 0 HG13 ILE A 21 4.175 -9.607 1.367 1.00 33.32 H new ATOM 0 HG21 ILE A 21 6.516 -9.683 -0.875 1.00 43.13 H new ATOM 0 HG22 ILE A 21 5.851 -8.411 -1.928 1.00 43.13 H new ATOM 0 HG23 ILE A 21 5.937 -8.156 -0.169 1.00 43.13 H new ATOM 0 HD11 ILE A 21 3.137 -11.800 1.608 1.00 11.33 H new ATOM 0 HD12 ILE A 21 2.159 -10.763 0.541 1.00 11.33 H new ATOM 0 HD13 ILE A 21 3.188 -12.038 -0.155 1.00 11.33 H new ATOM 340 N PRO A 22 3.548 -7.515 -3.294 1.00 64.44 N ATOM 341 CA PRO A 22 3.826 -6.444 -4.296 1.00 15.23 C ATOM 342 C PRO A 22 2.803 -5.280 -4.254 1.00 45.14 C ATOM 343 O PRO A 22 3.173 -4.109 -4.378 1.00 34.01 O ATOM 344 CB PRO A 22 3.732 -7.180 -5.654 1.00 55.23 C ATOM 345 CG PRO A 22 2.917 -8.406 -5.376 1.00 11.21 C ATOM 346 CD PRO A 22 3.276 -8.815 -3.969 1.00 12.13 C ATOM 0 HA PRO A 22 4.791 -5.974 -4.105 1.00 15.23 H new ATOM 0 HB2 PRO A 22 3.258 -6.554 -6.410 1.00 55.23 H new ATOM 0 HB3 PRO A 22 4.721 -7.441 -6.031 1.00 55.23 H new ATOM 0 HG2 PRO A 22 1.851 -8.197 -5.465 1.00 11.21 H new ATOM 0 HG3 PRO A 22 3.147 -9.200 -6.087 1.00 11.21 H new ATOM 0 HD2 PRO A 22 2.462 -9.356 -3.487 1.00 12.13 H new ATOM 0 HD3 PRO A 22 4.148 -9.469 -3.950 1.00 12.13 H new ATOM 354 N GLN A 23 1.522 -5.645 -4.063 1.00 75.30 N ATOM 355 CA GLN A 23 0.390 -4.687 -4.056 1.00 32.35 C ATOM 356 C GLN A 23 0.512 -3.715 -2.870 1.00 2.11 C ATOM 357 O GLN A 23 0.230 -2.526 -2.993 1.00 14.00 O ATOM 358 CB GLN A 23 -0.946 -5.466 -3.964 1.00 1.31 C ATOM 359 CG GLN A 23 -2.233 -4.615 -3.937 1.00 13.44 C ATOM 360 CD GLN A 23 -3.521 -5.441 -3.779 1.00 65.04 C ATOM 361 OE1 GLN A 23 -4.569 -5.078 -4.300 1.00 31.01 O ATOM 362 NE2 GLN A 23 -3.467 -6.538 -3.032 1.00 60.12 N ATOM 0 H GLN A 23 1.237 -6.612 -3.909 1.00 75.30 H new ATOM 0 HA GLN A 23 0.412 -4.109 -4.980 1.00 32.35 H new ATOM 0 HB2 GLN A 23 -1.004 -6.147 -4.813 1.00 1.31 H new ATOM 0 HB3 GLN A 23 -0.923 -6.080 -3.064 1.00 1.31 H new ATOM 0 HG2 GLN A 23 -2.168 -3.901 -3.116 1.00 13.44 H new ATOM 0 HG3 GLN A 23 -2.294 -4.037 -4.859 1.00 13.44 H new ATOM 0 HE21 GLN A 23 -2.584 -6.823 -2.607 1.00 60.12 H new ATOM 0 HE22 GLN A 23 -4.308 -7.096 -2.883 1.00 60.12 H new ATOM 371 N PHE A 24 0.986 -4.265 -1.740 1.00 21.42 N ATOM 372 CA PHE A 24 1.107 -3.528 -0.458 1.00 31.23 C ATOM 373 C PHE A 24 2.407 -2.709 -0.417 1.00 55.25 C ATOM 374 O PHE A 24 2.433 -1.609 0.138 1.00 32.44 O ATOM 375 CB PHE A 24 1.046 -4.502 0.743 1.00 73.25 C ATOM 376 CG PHE A 24 1.045 -3.816 2.113 1.00 61.03 C ATOM 377 CD1 PHE A 24 -0.075 -3.102 2.544 1.00 54.54 C ATOM 378 CD2 PHE A 24 2.160 -3.865 2.956 1.00 5.30 C ATOM 379 CE1 PHE A 24 -0.082 -2.465 3.770 1.00 41.52 C ATOM 380 CE2 PHE A 24 2.149 -3.221 4.179 1.00 72.11 C ATOM 381 CZ PHE A 24 1.030 -2.524 4.586 1.00 73.34 C ATOM 0 H PHE A 24 1.298 -5.234 -1.683 1.00 21.42 H new ATOM 0 HA PHE A 24 0.265 -2.839 -0.387 1.00 31.23 H new ATOM 0 HB2 PHE A 24 0.147 -5.113 0.655 1.00 73.25 H new ATOM 0 HB3 PHE A 24 1.898 -5.179 0.690 1.00 73.25 H new ATOM 0 HD1 PHE A 24 -0.948 -3.047 1.910 1.00 54.54 H new ATOM 0 HD2 PHE A 24 3.039 -4.412 2.648 1.00 5.30 H new ATOM 0 HE1 PHE A 24 -0.958 -1.921 4.090 1.00 41.52 H new ATOM 0 HE2 PHE A 24 3.019 -3.264 4.818 1.00 72.11 H new ATOM 0 HZ PHE A 24 1.024 -2.024 5.543 1.00 73.34 H new ATOM 391 N SER A 25 3.487 -3.273 -0.993 1.00 12.43 N ATOM 392 CA SER A 25 4.766 -2.555 -1.191 1.00 10.12 C ATOM 393 C SER A 25 4.556 -1.275 -2.023 1.00 53.01 C ATOM 394 O SER A 25 5.046 -0.204 -1.666 1.00 31.53 O ATOM 395 CB SER A 25 5.809 -3.483 -1.873 1.00 33.24 C ATOM 396 OG SER A 25 7.059 -2.833 -2.049 1.00 21.50 O ATOM 0 H SER A 25 3.500 -4.234 -1.333 1.00 12.43 H new ATOM 0 HA SER A 25 5.147 -2.263 -0.212 1.00 10.12 H new ATOM 0 HB2 SER A 25 5.948 -4.380 -1.269 1.00 33.24 H new ATOM 0 HB3 SER A 25 5.428 -3.807 -2.842 1.00 33.24 H new ATOM 0 HG SER A 25 7.690 -3.448 -2.479 1.00 21.50 H new ATOM 402 N ALA A 26 3.776 -1.402 -3.104 1.00 61.01 N ATOM 403 CA ALA A 26 3.399 -0.264 -3.967 1.00 60.51 C ATOM 404 C ALA A 26 2.372 0.664 -3.280 1.00 23.12 C ATOM 405 O ALA A 26 2.406 1.867 -3.491 1.00 64.34 O ATOM 406 CB ALA A 26 2.846 -0.789 -5.299 1.00 54.43 C ATOM 0 H ALA A 26 3.386 -2.294 -3.409 1.00 61.01 H new ATOM 0 HA ALA A 26 4.293 0.331 -4.154 1.00 60.51 H new ATOM 0 HB1 ALA A 26 2.568 0.052 -5.934 1.00 54.43 H new ATOM 0 HB2 ALA A 26 3.608 -1.386 -5.800 1.00 54.43 H new ATOM 0 HB3 ALA A 26 1.968 -1.407 -5.110 1.00 54.43 H new ATOM 412 N TYR A 27 1.486 0.083 -2.442 1.00 21.13 N ATOM 413 CA TYR A 27 0.380 0.813 -1.755 1.00 70.13 C ATOM 414 C TYR A 27 0.903 1.795 -0.692 1.00 21.23 C ATOM 415 O TYR A 27 0.465 2.945 -0.621 1.00 44.34 O ATOM 416 CB TYR A 27 -0.548 -0.214 -1.075 1.00 30.20 C ATOM 417 CG TYR A 27 -1.752 0.362 -0.302 1.00 34.04 C ATOM 418 CD1 TYR A 27 -2.818 0.970 -0.973 1.00 5.11 C ATOM 419 CD2 TYR A 27 -1.825 0.288 1.097 1.00 24.11 C ATOM 420 CE1 TYR A 27 -3.904 1.479 -0.285 1.00 33.41 C ATOM 421 CE2 TYR A 27 -2.911 0.793 1.781 1.00 75.54 C ATOM 422 CZ TYR A 27 -3.941 1.391 1.090 1.00 51.41 C ATOM 423 OH TYR A 27 -5.011 1.911 1.785 1.00 73.42 O ATOM 0 H TYR A 27 1.512 -0.912 -2.217 1.00 21.13 H new ATOM 0 HA TYR A 27 -0.156 1.392 -2.507 1.00 70.13 H new ATOM 0 HB2 TYR A 27 -0.925 -0.894 -1.839 1.00 30.20 H new ATOM 0 HB3 TYR A 27 0.049 -0.810 -0.385 1.00 30.20 H new ATOM 0 HD1 TYR A 27 -2.792 1.043 -2.050 1.00 5.11 H new ATOM 0 HD2 TYR A 27 -1.018 -0.172 1.647 1.00 24.11 H new ATOM 0 HE1 TYR A 27 -4.718 1.943 -0.822 1.00 33.41 H new ATOM 0 HE2 TYR A 27 -2.953 0.719 2.858 1.00 75.54 H new ATOM 0 HH TYR A 27 -4.880 1.764 2.745 1.00 73.42 H new ATOM 433 N ARG A 28 1.823 1.298 0.142 1.00 64.30 N ATOM 434 CA ARG A 28 2.376 2.041 1.290 1.00 44.44 C ATOM 435 C ARG A 28 3.381 3.112 0.820 1.00 44.13 C ATOM 436 O ARG A 28 3.590 4.124 1.498 1.00 61.33 O ATOM 437 CB ARG A 28 3.026 1.041 2.291 1.00 32.43 C ATOM 438 CG ARG A 28 4.372 0.427 1.830 1.00 11.30 C ATOM 439 CD ARG A 28 4.798 -0.795 2.657 1.00 40.15 C ATOM 440 NE ARG A 28 4.844 -0.527 4.111 1.00 23.45 N ATOM 441 CZ ARG A 28 5.346 -1.345 5.017 1.00 64.11 C ATOM 442 NH1 ARG A 28 5.948 -2.437 4.677 1.00 53.41 N ATOM 443 NH2 ARG A 28 5.269 -1.041 6.270 1.00 60.44 N ATOM 0 H ARG A 28 2.211 0.360 0.042 1.00 64.30 H new ATOM 0 HA ARG A 28 1.569 2.566 1.802 1.00 44.44 H new ATOM 0 HB2 ARG A 28 3.185 1.553 3.240 1.00 32.43 H new ATOM 0 HB3 ARG A 28 2.321 0.231 2.480 1.00 32.43 H new ATOM 0 HG2 ARG A 28 4.291 0.138 0.782 1.00 11.30 H new ATOM 0 HG3 ARG A 28 5.150 1.188 1.891 1.00 11.30 H new ATOM 0 HD2 ARG A 28 4.104 -1.614 2.467 1.00 40.15 H new ATOM 0 HD3 ARG A 28 5.782 -1.126 2.324 1.00 40.15 H new ATOM 0 HE ARG A 28 4.458 0.358 4.439 1.00 23.45 H new ATOM 0 HH11 ARG A 28 6.043 -2.681 3.691 1.00 53.41 H new ATOM 0 HH12 ARG A 28 6.328 -3.054 5.394 1.00 53.41 H new ATOM 0 HH21 ARG A 28 4.821 -0.171 6.557 1.00 60.44 H new ATOM 0 HH22 ARG A 28 5.656 -1.671 6.972 1.00 60.44 H new ATOM 457 N VAL A 29 3.978 2.890 -0.367 1.00 24.43 N ATOM 458 CA VAL A 29 4.901 3.882 -0.987 1.00 50.34 C ATOM 459 C VAL A 29 4.092 4.940 -1.764 1.00 30.32 C ATOM 460 O VAL A 29 4.450 6.120 -1.796 1.00 51.31 O ATOM 461 CB VAL A 29 5.986 3.198 -1.897 1.00 22.44 C ATOM 462 CG1 VAL A 29 6.864 4.239 -2.636 1.00 15.41 C ATOM 463 CG2 VAL A 29 6.866 2.249 -1.051 1.00 15.42 C ATOM 0 H VAL A 29 3.844 2.042 -0.918 1.00 24.43 H new ATOM 0 HA VAL A 29 5.447 4.380 -0.186 1.00 50.34 H new ATOM 0 HB VAL A 29 5.463 2.619 -2.658 1.00 22.44 H new ATOM 0 HG11 VAL A 29 7.599 3.722 -3.253 1.00 15.41 H new ATOM 0 HG12 VAL A 29 6.233 4.863 -3.269 1.00 15.41 H new ATOM 0 HG13 VAL A 29 7.378 4.865 -1.907 1.00 15.41 H new ATOM 0 HG21 VAL A 29 7.614 1.780 -1.690 1.00 15.42 H new ATOM 0 HG22 VAL A 29 7.364 2.818 -0.266 1.00 15.42 H new ATOM 0 HG23 VAL A 29 6.241 1.479 -0.599 1.00 15.42 H new ATOM 473 N LYS A 30 2.976 4.496 -2.354 1.00 74.12 N ATOM 474 CA LYS A 30 1.936 5.381 -2.907 1.00 21.45 C ATOM 475 C LYS A 30 1.326 6.253 -1.785 1.00 24.43 C ATOM 476 O LYS A 30 0.998 7.410 -2.013 1.00 21.45 O ATOM 477 CB LYS A 30 0.852 4.506 -3.610 1.00 42.23 C ATOM 478 CG LYS A 30 -0.597 5.026 -3.540 1.00 73.33 C ATOM 479 CD LYS A 30 -1.598 3.998 -4.078 1.00 44.53 C ATOM 480 CE LYS A 30 -3.055 4.464 -3.939 1.00 52.02 C ATOM 481 NZ LYS A 30 -4.006 3.459 -4.471 1.00 21.00 N ATOM 0 H LYS A 30 2.765 3.504 -2.464 1.00 74.12 H new ATOM 0 HA LYS A 30 2.370 6.058 -3.643 1.00 21.45 H new ATOM 0 HB2 LYS A 30 1.127 4.399 -4.659 1.00 42.23 H new ATOM 0 HB3 LYS A 30 0.879 3.509 -3.170 1.00 42.23 H new ATOM 0 HG2 LYS A 30 -0.846 5.270 -2.507 1.00 73.33 H new ATOM 0 HG3 LYS A 30 -0.680 5.949 -4.114 1.00 73.33 H new ATOM 0 HD2 LYS A 30 -1.382 3.801 -5.128 1.00 44.53 H new ATOM 0 HD3 LYS A 30 -1.469 3.057 -3.544 1.00 44.53 H new ATOM 0 HE2 LYS A 30 -3.277 4.655 -2.889 1.00 52.02 H new ATOM 0 HE3 LYS A 30 -3.188 5.407 -4.470 1.00 52.02 H new ATOM 0 HZ1 LYS A 30 -4.979 3.809 -4.360 1.00 21.00 H new ATOM 0 HZ2 LYS A 30 -3.810 3.295 -5.479 1.00 21.00 H new ATOM 0 HZ3 LYS A 30 -3.897 2.567 -3.948 1.00 21.00 H new ATOM 495 N ALA A 31 1.207 5.672 -0.571 1.00 31.32 N ATOM 496 CA ALA A 31 0.682 6.379 0.619 1.00 14.10 C ATOM 497 C ALA A 31 1.659 7.462 1.080 1.00 25.34 C ATOM 498 O ALA A 31 1.242 8.542 1.503 1.00 24.34 O ATOM 499 CB ALA A 31 0.425 5.401 1.766 1.00 25.44 C ATOM 0 H ALA A 31 1.471 4.704 -0.388 1.00 31.32 H new ATOM 0 HA ALA A 31 -0.261 6.847 0.336 1.00 14.10 H new ATOM 0 HB1 ALA A 31 0.040 5.945 2.628 1.00 25.44 H new ATOM 0 HB2 ALA A 31 -0.305 4.655 1.452 1.00 25.44 H new ATOM 0 HB3 ALA A 31 1.357 4.905 2.037 1.00 25.44 H new ATOM 505 N TYR A 32 2.968 7.136 1.016 1.00 45.33 N ATOM 506 CA TYR A 32 4.045 8.099 1.295 1.00 22.13 C ATOM 507 C TYR A 32 3.949 9.292 0.331 1.00 42.55 C ATOM 508 O TYR A 32 3.752 10.408 0.762 1.00 5.43 O ATOM 509 CB TYR A 32 5.448 7.420 1.213 1.00 75.40 C ATOM 510 CG TYR A 32 6.622 8.406 1.383 1.00 73.44 C ATOM 511 CD1 TYR A 32 6.896 8.994 2.621 1.00 43.20 C ATOM 512 CD2 TYR A 32 7.433 8.771 0.299 1.00 73.35 C ATOM 513 CE1 TYR A 32 7.926 9.904 2.771 1.00 5.31 C ATOM 514 CE2 TYR A 32 8.466 9.673 0.449 1.00 25.13 C ATOM 515 CZ TYR A 32 8.706 10.241 1.684 1.00 54.42 C ATOM 516 OH TYR A 32 9.729 11.153 1.829 1.00 21.51 O ATOM 0 H TYR A 32 3.302 6.204 0.771 1.00 45.33 H new ATOM 0 HA TYR A 32 3.923 8.466 2.314 1.00 22.13 H new ATOM 0 HB2 TYR A 32 5.516 6.651 1.983 1.00 75.40 H new ATOM 0 HB3 TYR A 32 5.543 6.917 0.251 1.00 75.40 H new ATOM 0 HD1 TYR A 32 6.292 8.732 3.477 1.00 43.20 H new ATOM 0 HD2 TYR A 32 7.245 8.338 -0.672 1.00 73.35 H new ATOM 0 HE1 TYR A 32 8.119 10.349 3.736 1.00 5.31 H new ATOM 0 HE2 TYR A 32 9.085 9.934 -0.397 1.00 25.13 H new ATOM 0 HH TYR A 32 10.181 11.277 0.968 1.00 21.51 H new ATOM 526 N ASN A 33 4.042 9.003 -0.969 1.00 54.32 N ATOM 527 CA ASN A 33 3.983 10.017 -2.053 1.00 12.31 C ATOM 528 C ASN A 33 2.689 10.867 -2.021 1.00 33.11 C ATOM 529 O ASN A 33 2.743 12.085 -2.176 1.00 53.12 O ATOM 530 CB ASN A 33 4.113 9.326 -3.435 1.00 13.31 C ATOM 531 CG ASN A 33 5.486 8.691 -3.690 1.00 45.25 C ATOM 532 OD1 ASN A 33 6.184 8.273 -2.776 1.00 20.20 O ATOM 533 ND2 ASN A 33 5.882 8.607 -4.942 1.00 73.44 N ATOM 0 H ASN A 33 4.162 8.051 -1.314 1.00 54.32 H new ATOM 0 HA ASN A 33 4.819 10.697 -1.888 1.00 12.31 H new ATOM 0 HB2 ASN A 33 3.347 8.555 -3.517 1.00 13.31 H new ATOM 0 HB3 ASN A 33 3.913 10.059 -4.216 1.00 13.31 H new ATOM 0 HD21 ASN A 33 6.785 8.188 -5.164 1.00 73.44 H new ATOM 0 HD22 ASN A 33 5.286 8.961 -5.690 1.00 73.44 H new ATOM 540 N SER A 34 1.546 10.204 -1.817 1.00 11.11 N ATOM 541 CA SER A 34 0.211 10.859 -1.819 1.00 21.34 C ATOM 542 C SER A 34 0.059 11.793 -0.610 1.00 24.45 C ATOM 543 O SER A 34 -0.167 12.985 -0.778 1.00 64.40 O ATOM 544 CB SER A 34 -0.927 9.808 -1.823 1.00 41.23 C ATOM 545 OG SER A 34 -2.212 10.415 -1.832 1.00 61.40 O ATOM 0 H SER A 34 1.508 9.199 -1.645 1.00 11.11 H new ATOM 0 HA SER A 34 0.137 11.451 -2.731 1.00 21.34 H new ATOM 0 HB2 SER A 34 -0.824 9.165 -2.697 1.00 41.23 H new ATOM 0 HB3 SER A 34 -0.834 9.169 -0.945 1.00 41.23 H new ATOM 0 HG SER A 34 -2.902 9.719 -1.836 1.00 61.40 H new ATOM 551 N ALA A 35 0.226 11.236 0.605 1.00 54.42 N ATOM 552 CA ALA A 35 0.085 11.999 1.865 1.00 72.23 C ATOM 553 C ALA A 35 1.173 13.077 2.020 1.00 54.42 C ATOM 554 O ALA A 35 0.894 14.144 2.550 1.00 41.11 O ATOM 555 CB ALA A 35 0.102 11.064 3.080 1.00 64.31 C ATOM 0 H ALA A 35 0.461 10.253 0.743 1.00 54.42 H new ATOM 0 HA ALA A 35 -0.880 12.504 1.816 1.00 72.23 H new ATOM 0 HB1 ALA A 35 -0.003 11.651 3.992 1.00 64.31 H new ATOM 0 HB2 ALA A 35 -0.724 10.357 3.006 1.00 64.31 H new ATOM 0 HB3 ALA A 35 1.045 10.519 3.106 1.00 64.31 H new ATOM 561 N ALA A 36 2.409 12.779 1.559 1.00 51.32 N ATOM 562 CA ALA A 36 3.545 13.748 1.635 1.00 13.54 C ATOM 563 C ALA A 36 3.344 14.946 0.686 1.00 20.34 C ATOM 564 O ALA A 36 3.515 16.094 1.097 1.00 32.45 O ATOM 565 CB ALA A 36 4.886 13.060 1.337 1.00 25.11 C ATOM 0 H ALA A 36 2.652 11.885 1.132 1.00 51.32 H new ATOM 0 HA ALA A 36 3.566 14.127 2.657 1.00 13.54 H new ATOM 0 HB1 ALA A 36 5.692 13.791 1.400 1.00 25.11 H new ATOM 0 HB2 ALA A 36 5.058 12.267 2.065 1.00 25.11 H new ATOM 0 HB3 ALA A 36 4.861 12.633 0.334 1.00 25.11 H new ATOM 571 N SER A 37 2.983 14.666 -0.579 1.00 14.24 N ATOM 572 CA SER A 37 2.738 15.723 -1.595 1.00 50.42 C ATOM 573 C SER A 37 1.463 16.531 -1.283 1.00 63.13 C ATOM 574 O SER A 37 1.402 17.726 -1.567 1.00 5.15 O ATOM 575 CB SER A 37 2.634 15.118 -3.015 1.00 41.01 C ATOM 576 OG SER A 37 3.844 14.473 -3.397 1.00 1.14 O ATOM 0 H SER A 37 2.852 13.717 -0.929 1.00 14.24 H new ATOM 0 HA SER A 37 3.592 16.399 -1.558 1.00 50.42 H new ATOM 0 HB2 SER A 37 1.813 14.402 -3.047 1.00 41.01 H new ATOM 0 HB3 SER A 37 2.399 15.906 -3.731 1.00 41.01 H new ATOM 0 HG SER A 37 3.821 13.537 -3.109 1.00 1.14 H new ATOM 582 N SER A 38 0.454 15.859 -0.695 1.00 42.52 N ATOM 583 CA SER A 38 -0.825 16.502 -0.297 1.00 35.30 C ATOM 584 C SER A 38 -0.675 17.275 1.016 1.00 5.03 C ATOM 585 O SER A 38 -1.427 18.209 1.275 1.00 0.22 O ATOM 586 CB SER A 38 -1.946 15.448 -0.174 1.00 23.44 C ATOM 587 OG SER A 38 -3.211 16.031 0.108 1.00 22.44 O ATOM 0 H SER A 38 0.496 14.862 -0.482 1.00 42.52 H new ATOM 0 HA SER A 38 -1.096 17.214 -1.077 1.00 35.30 H new ATOM 0 HB2 SER A 38 -2.010 14.880 -1.102 1.00 23.44 H new ATOM 0 HB3 SER A 38 -1.691 14.741 0.616 1.00 23.44 H new ATOM 0 HG SER A 38 -3.888 15.326 0.175 1.00 22.44 H new ATOM 593 N ASP A 39 0.287 16.852 1.847 1.00 50.54 N ATOM 594 CA ASP A 39 0.720 17.614 3.035 1.00 20.13 C ATOM 595 C ASP A 39 1.426 18.913 2.603 1.00 74.01 C ATOM 596 O ASP A 39 1.110 19.986 3.097 1.00 31.31 O ATOM 597 CB ASP A 39 1.676 16.751 3.879 1.00 23.11 C ATOM 598 CG ASP A 39 2.174 17.436 5.157 1.00 5.21 C ATOM 599 OD1 ASP A 39 1.434 17.453 6.163 1.00 63.11 O ATOM 600 OD2 ASP A 39 3.306 17.959 5.161 1.00 24.40 O ATOM 0 H ASP A 39 0.789 15.973 1.718 1.00 50.54 H new ATOM 0 HA ASP A 39 -0.154 17.873 3.632 1.00 20.13 H new ATOM 0 HB2 ASP A 39 1.169 15.825 4.150 1.00 23.11 H new ATOM 0 HB3 ASP A 39 2.536 16.477 3.268 1.00 23.11 H new ATOM 605 N LEU A 40 2.376 18.786 1.651 1.00 62.34 N ATOM 606 CA LEU A 40 3.159 19.932 1.129 1.00 13.15 C ATOM 607 C LEU A 40 2.261 20.898 0.340 1.00 64.33 C ATOM 608 O LEU A 40 2.515 22.094 0.308 1.00 2.13 O ATOM 609 CB LEU A 40 4.333 19.455 0.235 1.00 1.42 C ATOM 610 CG LEU A 40 5.473 18.670 0.955 1.00 53.30 C ATOM 611 CD1 LEU A 40 6.542 18.186 -0.050 1.00 42.14 C ATOM 612 CD2 LEU A 40 6.113 19.509 2.088 1.00 35.32 C ATOM 0 H LEU A 40 2.622 17.893 1.224 1.00 62.34 H new ATOM 0 HA LEU A 40 3.573 20.459 1.989 1.00 13.15 H new ATOM 0 HB2 LEU A 40 3.927 18.822 -0.554 1.00 1.42 H new ATOM 0 HB3 LEU A 40 4.771 20.328 -0.249 1.00 1.42 H new ATOM 0 HG LEU A 40 5.022 17.789 1.413 1.00 53.30 H new ATOM 0 HD11 LEU A 40 7.323 17.643 0.483 1.00 42.14 H new ATOM 0 HD12 LEU A 40 6.079 17.528 -0.785 1.00 42.14 H new ATOM 0 HD13 LEU A 40 6.980 19.046 -0.557 1.00 42.14 H new ATOM 0 HD21 LEU A 40 6.903 18.931 2.567 1.00 35.32 H new ATOM 0 HD22 LEU A 40 6.535 20.423 1.670 1.00 35.32 H new ATOM 0 HD23 LEU A 40 5.352 19.765 2.825 1.00 35.32 H new ATOM 624 N ARG A 41 1.216 20.342 -0.297 1.00 21.41 N ATOM 625 CA ARG A 41 0.198 21.125 -1.012 1.00 44.43 C ATOM 626 C ARG A 41 -0.702 21.873 -0.009 1.00 0.41 C ATOM 627 O ARG A 41 -0.962 23.063 -0.167 1.00 10.24 O ATOM 628 CB ARG A 41 -0.651 20.185 -1.920 1.00 42.02 C ATOM 629 CG ARG A 41 -1.826 20.876 -2.640 1.00 64.33 C ATOM 630 CD ARG A 41 -2.597 19.947 -3.598 1.00 20.13 C ATOM 631 NE ARG A 41 -1.763 19.487 -4.724 1.00 31.15 N ATOM 632 CZ ARG A 41 -1.760 20.011 -5.937 1.00 74.41 C ATOM 633 NH1 ARG A 41 -2.456 21.067 -6.226 1.00 72.11 N ATOM 634 NH2 ARG A 41 -1.027 19.487 -6.859 1.00 71.11 N ATOM 0 H ARG A 41 1.055 19.335 -0.330 1.00 21.41 H new ATOM 0 HA ARG A 41 0.693 21.864 -1.642 1.00 44.43 H new ATOM 0 HB2 ARG A 41 0.003 19.737 -2.668 1.00 42.02 H new ATOM 0 HB3 ARG A 41 -1.044 19.371 -1.311 1.00 42.02 H new ATOM 0 HG2 ARG A 41 -2.517 21.269 -1.894 1.00 64.33 H new ATOM 0 HG3 ARG A 41 -1.445 21.729 -3.202 1.00 64.33 H new ATOM 0 HD2 ARG A 41 -2.965 19.083 -3.045 1.00 20.13 H new ATOM 0 HD3 ARG A 41 -3.470 20.472 -3.986 1.00 20.13 H new ATOM 0 HE ARG A 41 -1.137 18.700 -4.552 1.00 31.15 H new ATOM 0 HH11 ARG A 41 -3.025 21.515 -5.508 1.00 72.11 H new ATOM 0 HH12 ARG A 41 -2.434 21.449 -7.171 1.00 72.11 H new ATOM 0 HH21 ARG A 41 -0.452 18.671 -6.651 1.00 71.11 H new ATOM 0 HH22 ARG A 41 -1.022 19.889 -7.797 1.00 71.11 H new ATOM 648 N ASN A 42 -1.142 21.148 1.037 1.00 31.51 N ATOM 649 CA ASN A 42 -2.032 21.687 2.092 1.00 75.44 C ATOM 650 C ASN A 42 -1.347 22.815 2.904 1.00 1.01 C ATOM 651 O ASN A 42 -1.983 23.816 3.239 1.00 33.21 O ATOM 652 CB ASN A 42 -2.480 20.543 3.038 1.00 20.41 C ATOM 653 CG ASN A 42 -3.554 20.955 4.057 1.00 41.15 C ATOM 654 OD1 ASN A 42 -4.381 21.822 3.790 1.00 64.34 O ATOM 655 ND2 ASN A 42 -3.566 20.330 5.220 1.00 70.34 N ATOM 0 H ASN A 42 -0.892 20.169 1.178 1.00 31.51 H new ATOM 0 HA ASN A 42 -2.905 22.120 1.603 1.00 75.44 H new ATOM 0 HB2 ASN A 42 -2.862 19.718 2.437 1.00 20.41 H new ATOM 0 HB3 ASN A 42 -1.609 20.169 3.576 1.00 20.41 H new ATOM 0 HD21 ASN A 42 -4.272 20.564 5.918 1.00 70.34 H new ATOM 0 HD22 ASN A 42 -2.869 19.613 5.421 1.00 70.34 H new ATOM 662 N LEU A 43 -0.049 22.638 3.199 1.00 35.00 N ATOM 663 CA LEU A 43 0.750 23.620 3.964 1.00 71.30 C ATOM 664 C LEU A 43 1.128 24.832 3.094 1.00 74.31 C ATOM 665 O LEU A 43 1.250 25.937 3.603 1.00 41.53 O ATOM 666 CB LEU A 43 2.036 22.959 4.527 1.00 24.53 C ATOM 667 CG LEU A 43 1.820 21.846 5.603 1.00 53.20 C ATOM 668 CD1 LEU A 43 3.159 21.217 6.041 1.00 33.34 C ATOM 669 CD2 LEU A 43 1.033 22.380 6.822 1.00 33.34 C ATOM 0 H LEU A 43 0.479 21.813 2.916 1.00 35.00 H new ATOM 0 HA LEU A 43 0.134 23.968 4.793 1.00 71.30 H new ATOM 0 HB2 LEU A 43 2.594 22.529 3.695 1.00 24.53 H new ATOM 0 HB3 LEU A 43 2.662 23.739 4.961 1.00 24.53 H new ATOM 0 HG LEU A 43 1.220 21.062 5.140 1.00 53.20 H new ATOM 0 HD11 LEU A 43 2.972 20.447 6.790 1.00 33.34 H new ATOM 0 HD12 LEU A 43 3.651 20.771 5.177 1.00 33.34 H new ATOM 0 HD13 LEU A 43 3.801 21.988 6.466 1.00 33.34 H new ATOM 0 HD21 LEU A 43 0.902 21.579 7.550 1.00 33.34 H new ATOM 0 HD22 LEU A 43 1.585 23.200 7.281 1.00 33.34 H new ATOM 0 HD23 LEU A 43 0.056 22.738 6.496 1.00 33.34 H new ATOM 681 N LYS A 44 1.296 24.602 1.780 1.00 14.25 N ATOM 682 CA LYS A 44 1.691 25.655 0.822 1.00 64.15 C ATOM 683 C LYS A 44 0.514 26.601 0.560 1.00 31.42 C ATOM 684 O LYS A 44 0.657 27.822 0.616 1.00 41.41 O ATOM 685 CB LYS A 44 2.138 25.000 -0.503 1.00 0.22 C ATOM 686 CG LYS A 44 2.632 25.971 -1.596 1.00 50.44 C ATOM 687 CD LYS A 44 2.967 25.238 -2.919 1.00 52.14 C ATOM 688 CE LYS A 44 4.045 24.149 -2.763 1.00 75.02 C ATOM 689 NZ LYS A 44 5.329 24.708 -2.261 1.00 42.34 N ATOM 0 H LYS A 44 1.163 23.686 1.352 1.00 14.25 H new ATOM 0 HA LYS A 44 2.516 26.230 1.243 1.00 64.15 H new ATOM 0 HB2 LYS A 44 2.936 24.291 -0.285 1.00 0.22 H new ATOM 0 HB3 LYS A 44 1.302 24.426 -0.903 1.00 0.22 H new ATOM 0 HG2 LYS A 44 1.867 26.725 -1.783 1.00 50.44 H new ATOM 0 HG3 LYS A 44 3.517 26.497 -1.239 1.00 50.44 H new ATOM 0 HD2 LYS A 44 2.058 24.784 -3.314 1.00 52.14 H new ATOM 0 HD3 LYS A 44 3.304 25.969 -3.654 1.00 52.14 H new ATOM 0 HE2 LYS A 44 3.689 23.382 -2.075 1.00 75.02 H new ATOM 0 HE3 LYS A 44 4.212 23.663 -3.724 1.00 75.02 H new ATOM 0 HZ1 LYS A 44 6.043 23.953 -2.218 1.00 42.34 H new ATOM 0 HZ2 LYS A 44 5.656 25.458 -2.903 1.00 42.34 H new ATOM 0 HZ3 LYS A 44 5.187 25.105 -1.310 1.00 42.34 H new ATOM 703 N THR A 45 -0.649 25.986 0.299 1.00 1.52 N ATOM 704 CA THR A 45 -1.904 26.695 -0.015 1.00 35.43 C ATOM 705 C THR A 45 -2.442 27.451 1.211 1.00 40.13 C ATOM 706 O THR A 45 -3.062 28.512 1.089 1.00 53.44 O ATOM 707 CB THR A 45 -2.980 25.708 -0.576 1.00 53.10 C ATOM 708 OG1 THR A 45 -3.994 26.433 -1.296 1.00 0.44 O ATOM 709 CG2 THR A 45 -3.662 24.847 0.500 1.00 75.41 C ATOM 0 H THR A 45 -0.748 24.971 0.299 1.00 1.52 H new ATOM 0 HA THR A 45 -1.682 27.431 -0.788 1.00 35.43 H new ATOM 0 HB THR A 45 -2.437 25.030 -1.235 1.00 53.10 H new ATOM 0 HG1 THR A 45 -4.661 25.805 -1.644 1.00 0.44 H new ATOM 0 HG21 THR A 45 -4.394 24.190 0.030 1.00 75.41 H new ATOM 0 HG22 THR A 45 -2.912 24.246 1.014 1.00 75.41 H new ATOM 0 HG23 THR A 45 -4.164 25.494 1.219 1.00 75.41 H new ATOM 717 N ALA A 46 -2.196 26.872 2.397 1.00 70.02 N ATOM 718 CA ALA A 46 -2.510 27.499 3.693 1.00 33.44 C ATOM 719 C ALA A 46 -1.573 28.684 3.980 1.00 42.10 C ATOM 720 O ALA A 46 -2.029 29.738 4.419 1.00 74.11 O ATOM 721 CB ALA A 46 -2.436 26.469 4.826 1.00 53.14 C ATOM 0 H ALA A 46 -1.771 25.949 2.485 1.00 70.02 H new ATOM 0 HA ALA A 46 -3.529 27.882 3.639 1.00 33.44 H new ATOM 0 HB1 ALA A 46 -2.671 26.953 5.774 1.00 53.14 H new ATOM 0 HB2 ALA A 46 -3.153 25.670 4.639 1.00 53.14 H new ATOM 0 HB3 ALA A 46 -1.431 26.050 4.872 1.00 53.14 H new ATOM 727 N LEU A 47 -0.263 28.497 3.709 1.00 40.33 N ATOM 728 CA LEU A 47 0.782 29.509 4.015 1.00 52.45 C ATOM 729 C LEU A 47 0.672 30.741 3.085 1.00 23.44 C ATOM 730 O LEU A 47 0.880 31.884 3.516 1.00 52.11 O ATOM 731 CB LEU A 47 2.195 28.861 3.908 1.00 11.04 C ATOM 732 CG LEU A 47 3.354 29.592 4.656 1.00 24.25 C ATOM 733 CD1 LEU A 47 3.076 29.675 6.178 1.00 54.04 C ATOM 734 CD2 LEU A 47 4.719 28.910 4.388 1.00 50.25 C ATOM 0 H LEU A 47 0.102 27.649 3.276 1.00 40.33 H new ATOM 0 HA LEU A 47 0.627 29.859 5.036 1.00 52.45 H new ATOM 0 HB2 LEU A 47 2.133 27.841 4.289 1.00 11.04 H new ATOM 0 HB3 LEU A 47 2.460 28.792 2.853 1.00 11.04 H new ATOM 0 HG LEU A 47 3.402 30.608 4.264 1.00 24.25 H new ATOM 0 HD11 LEU A 47 3.901 30.189 6.671 1.00 54.04 H new ATOM 0 HD12 LEU A 47 2.151 30.225 6.349 1.00 54.04 H new ATOM 0 HD13 LEU A 47 2.980 28.669 6.586 1.00 54.04 H new ATOM 0 HD21 LEU A 47 5.504 29.444 4.924 1.00 50.25 H new ATOM 0 HD22 LEU A 47 4.683 27.876 4.732 1.00 50.25 H new ATOM 0 HD23 LEU A 47 4.932 28.929 3.319 1.00 50.25 H new ATOM 746 N GLU A 48 0.324 30.491 1.801 1.00 23.23 N ATOM 747 CA GLU A 48 0.139 31.564 0.796 1.00 4.02 C ATOM 748 C GLU A 48 -1.184 32.330 1.037 1.00 75.20 C ATOM 749 O GLU A 48 -1.274 33.521 0.749 1.00 11.00 O ATOM 750 CB GLU A 48 0.214 30.989 -0.649 1.00 53.41 C ATOM 751 CG GLU A 48 -0.977 30.115 -1.078 1.00 64.43 C ATOM 752 CD GLU A 48 -0.803 29.487 -2.470 1.00 74.24 C ATOM 753 OE1 GLU A 48 -1.194 30.126 -3.473 1.00 54.45 O ATOM 754 OE2 GLU A 48 -0.268 28.360 -2.580 1.00 20.24 O ATOM 0 H GLU A 48 0.165 29.552 1.436 1.00 23.23 H new ATOM 0 HA GLU A 48 0.954 32.279 0.908 1.00 4.02 H new ATOM 0 HB2 GLU A 48 0.302 31.821 -1.348 1.00 53.41 H new ATOM 0 HB3 GLU A 48 1.126 30.399 -0.739 1.00 53.41 H new ATOM 0 HG2 GLU A 48 -1.118 29.321 -0.345 1.00 64.43 H new ATOM 0 HG3 GLU A 48 -1.883 30.720 -1.071 1.00 64.43 H new ATOM 761 N SER A 49 -2.203 31.631 1.576 1.00 51.21 N ATOM 762 CA SER A 49 -3.491 32.256 1.979 1.00 22.21 C ATOM 763 C SER A 49 -3.407 32.914 3.382 1.00 13.32 C ATOM 764 O SER A 49 -4.282 33.698 3.761 1.00 13.42 O ATOM 765 CB SER A 49 -4.627 31.205 1.949 1.00 23.23 C ATOM 766 OG SER A 49 -5.896 31.792 2.195 1.00 2.44 O ATOM 0 H SER A 49 -2.163 30.626 1.745 1.00 51.21 H new ATOM 0 HA SER A 49 -3.709 33.046 1.261 1.00 22.21 H new ATOM 0 HB2 SER A 49 -4.638 30.709 0.978 1.00 23.23 H new ATOM 0 HB3 SER A 49 -4.431 30.437 2.697 1.00 23.23 H new ATOM 0 HG SER A 49 -5.782 32.606 2.729 1.00 2.44 H new ATOM 772 N ALA A 50 -2.348 32.578 4.151 1.00 2.33 N ATOM 773 CA ALA A 50 -2.130 33.103 5.523 1.00 12.15 C ATOM 774 C ALA A 50 -1.455 34.485 5.488 1.00 0.21 C ATOM 775 O ALA A 50 -1.902 35.433 6.148 1.00 74.25 O ATOM 776 CB ALA A 50 -1.273 32.119 6.335 1.00 32.40 C ATOM 0 H ALA A 50 -1.619 31.936 3.841 1.00 2.33 H new ATOM 0 HA ALA A 50 -3.103 33.212 6.002 1.00 12.15 H new ATOM 0 HB1 ALA A 50 -1.119 32.514 7.339 1.00 32.40 H new ATOM 0 HB2 ALA A 50 -1.783 31.158 6.397 1.00 32.40 H new ATOM 0 HB3 ALA A 50 -0.308 31.987 5.845 1.00 32.40 H new ATOM 782 N PHE A 51 -0.367 34.584 4.713 1.00 13.44 N ATOM 783 CA PHE A 51 0.397 35.830 4.558 1.00 63.22 C ATOM 784 C PHE A 51 -0.189 36.682 3.425 1.00 51.31 C ATOM 785 O PHE A 51 -0.288 37.905 3.557 1.00 21.24 O ATOM 786 CB PHE A 51 1.882 35.513 4.263 1.00 60.22 C ATOM 787 CG PHE A 51 2.620 34.765 5.378 1.00 55.20 C ATOM 788 CD1 PHE A 51 2.490 35.158 6.714 1.00 20.25 C ATOM 789 CD2 PHE A 51 3.468 33.696 5.090 1.00 22.01 C ATOM 790 CE1 PHE A 51 3.175 34.504 7.719 1.00 30.01 C ATOM 791 CE2 PHE A 51 4.159 33.048 6.096 1.00 12.12 C ATOM 792 CZ PHE A 51 4.014 33.451 7.410 1.00 31.43 C ATOM 0 H PHE A 51 0.009 33.803 4.176 1.00 13.44 H new ATOM 0 HA PHE A 51 0.331 36.392 5.489 1.00 63.22 H new ATOM 0 HB2 PHE A 51 1.937 34.919 3.350 1.00 60.22 H new ATOM 0 HB3 PHE A 51 2.405 36.449 4.066 1.00 60.22 H new ATOM 0 HD1 PHE A 51 1.843 35.986 6.964 1.00 20.25 H new ATOM 0 HD2 PHE A 51 3.586 33.370 4.067 1.00 22.01 H new ATOM 0 HE1 PHE A 51 3.055 34.816 8.746 1.00 30.01 H new ATOM 0 HE2 PHE A 51 4.814 32.224 5.855 1.00 12.12 H new ATOM 0 HZ PHE A 51 4.556 32.943 8.194 1.00 31.43 H new