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= -0.165 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,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=-0.00619 K(o=-0.0062,f=-0.58) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 81:sc= 0.452 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) USER MOD Single : A 44 LYS NZ :NH3+ 160:sc= 0.728 (180deg=0.477) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 23 N THR A 2 -4.723 -35.151 4.326 1.00 1.41 N ATOM 24 CA THR A 2 -4.314 -35.851 3.080 1.00 32.41 C ATOM 25 C THR A 2 -3.203 -35.075 2.343 1.00 41.53 C ATOM 26 O THR A 2 -2.891 -33.927 2.696 1.00 51.24 O ATOM 27 CB THR A 2 -5.530 -36.061 2.111 1.00 1.35 C ATOM 28 OG1 THR A 2 -6.023 -34.798 1.645 1.00 13.13 O ATOM 29 CG2 THR A 2 -6.677 -36.835 2.780 1.00 21.04 C ATOM 0 HA THR A 2 -3.931 -36.827 3.379 1.00 32.41 H new ATOM 0 HB THR A 2 -5.166 -36.652 1.270 1.00 1.35 H new ATOM 0 HG1 THR A 2 -6.871 -34.932 1.173 1.00 13.13 H new ATOM 0 HG21 THR A 2 -7.496 -36.956 2.071 1.00 21.04 H new ATOM 0 HG22 THR A 2 -6.320 -37.816 3.093 1.00 21.04 H new ATOM 0 HG23 THR A 2 -7.029 -36.282 3.651 1.00 21.04 H new ATOM 37 N LEU A 3 -2.621 -35.710 1.305 1.00 21.53 N ATOM 38 CA LEU A 3 -1.667 -35.051 0.375 1.00 21.21 C ATOM 39 C LEU A 3 -2.353 -33.875 -0.352 1.00 73.13 C ATOM 40 O LEU A 3 -1.701 -32.916 -0.775 1.00 40.00 O ATOM 41 CB LEU A 3 -1.097 -36.102 -0.626 1.00 21.23 C ATOM 42 CG LEU A 3 0.110 -35.665 -1.551 1.00 2.33 C ATOM 43 CD1 LEU A 3 1.015 -36.874 -1.902 1.00 34.30 C ATOM 44 CD2 LEU A 3 -0.364 -34.970 -2.856 1.00 43.05 C ATOM 0 H LEU A 3 -2.795 -36.690 1.084 1.00 21.53 H new ATOM 0 HA LEU A 3 -0.831 -34.639 0.940 1.00 21.21 H new ATOM 0 HB2 LEU A 3 -0.780 -36.973 -0.052 1.00 21.23 H new ATOM 0 HB3 LEU A 3 -1.913 -36.426 -1.272 1.00 21.23 H new ATOM 0 HG LEU A 3 0.687 -34.940 -0.977 1.00 2.33 H new ATOM 0 HD11 LEU A 3 1.835 -36.542 -2.538 1.00 34.30 H new ATOM 0 HD12 LEU A 3 1.418 -37.305 -0.986 1.00 34.30 H new ATOM 0 HD13 LEU A 3 0.429 -37.627 -2.429 1.00 34.30 H new ATOM 0 HD21 LEU A 3 0.503 -34.690 -3.455 1.00 43.05 H new ATOM 0 HD22 LEU A 3 -0.993 -35.655 -3.425 1.00 43.05 H new ATOM 0 HD23 LEU A 3 -0.936 -34.076 -2.605 1.00 43.05 H new ATOM 56 N ILE A 4 -3.686 -33.943 -0.430 1.00 45.13 N ATOM 57 CA ILE A 4 -4.504 -32.927 -1.114 1.00 21.11 C ATOM 58 C ILE A 4 -4.760 -31.735 -0.172 1.00 72.25 C ATOM 59 O ILE A 4 -4.640 -30.590 -0.586 1.00 44.43 O ATOM 60 CB ILE A 4 -5.857 -33.542 -1.645 1.00 4.04 C ATOM 61 CG1 ILE A 4 -5.570 -34.743 -2.609 1.00 33.50 C ATOM 62 CG2 ILE A 4 -6.760 -32.481 -2.334 1.00 50.14 C ATOM 63 CD1 ILE A 4 -4.727 -34.398 -3.834 1.00 62.35 C ATOM 0 H ILE A 4 -4.231 -34.702 -0.022 1.00 45.13 H new ATOM 0 HA ILE A 4 -3.954 -32.567 -1.983 1.00 21.11 H new ATOM 0 HB ILE A 4 -6.408 -33.909 -0.779 1.00 4.04 H new ATOM 0 HG12 ILE A 4 -5.064 -35.528 -2.047 1.00 33.50 H new ATOM 0 HG13 ILE A 4 -6.521 -35.155 -2.945 1.00 33.50 H new ATOM 0 HG21 ILE A 4 -7.678 -32.955 -2.681 1.00 50.14 H new ATOM 0 HG22 ILE A 4 -7.005 -31.694 -1.621 1.00 50.14 H new ATOM 0 HG23 ILE A 4 -6.231 -32.049 -3.183 1.00 50.14 H new ATOM 0 HD11 ILE A 4 -4.582 -35.293 -4.440 1.00 62.35 H new ATOM 0 HD12 ILE A 4 -5.238 -33.638 -4.425 1.00 62.35 H new ATOM 0 HD13 ILE A 4 -3.758 -34.017 -3.513 1.00 62.35 H new ATOM 75 N GLU A 5 -5.084 -32.030 1.101 1.00 5.34 N ATOM 76 CA GLU A 5 -5.235 -31.009 2.166 1.00 43.31 C ATOM 77 C GLU A 5 -3.955 -30.161 2.328 1.00 23.43 C ATOM 78 O GLU A 5 -4.033 -28.933 2.468 1.00 34.22 O ATOM 79 CB GLU A 5 -5.599 -31.674 3.529 1.00 62.44 C ATOM 80 CG GLU A 5 -6.997 -32.326 3.583 1.00 33.05 C ATOM 81 CD GLU A 5 -8.135 -31.338 3.276 1.00 65.12 C ATOM 82 OE1 GLU A 5 -8.271 -30.332 4.003 1.00 45.04 O ATOM 83 OE2 GLU A 5 -8.900 -31.555 2.313 1.00 11.23 O ATOM 0 H GLU A 5 -5.250 -32.983 1.425 1.00 5.34 H new ATOM 0 HA GLU A 5 -6.048 -30.350 1.862 1.00 43.31 H new ATOM 0 HB2 GLU A 5 -4.851 -32.434 3.757 1.00 62.44 H new ATOM 0 HB3 GLU A 5 -5.536 -30.919 4.313 1.00 62.44 H new ATOM 0 HG2 GLU A 5 -7.036 -33.149 2.869 1.00 33.05 H new ATOM 0 HG3 GLU A 5 -7.153 -32.755 4.573 1.00 33.05 H new ATOM 90 N LEU A 6 -2.781 -30.832 2.297 1.00 3.23 N ATOM 91 CA LEU A 6 -1.477 -30.149 2.410 1.00 64.51 C ATOM 92 C LEU A 6 -1.164 -29.346 1.133 1.00 33.43 C ATOM 93 O LEU A 6 -0.610 -28.250 1.215 1.00 1.40 O ATOM 94 CB LEU A 6 -0.338 -31.154 2.811 1.00 20.43 C ATOM 95 CG LEU A 6 0.245 -32.162 1.746 1.00 50.22 C ATOM 96 CD1 LEU A 6 1.251 -31.520 0.746 1.00 74.31 C ATOM 97 CD2 LEU A 6 0.903 -33.377 2.440 1.00 21.52 C ATOM 0 H LEU A 6 -2.713 -31.845 2.195 1.00 3.23 H new ATOM 0 HA LEU A 6 -1.533 -29.424 3.222 1.00 64.51 H new ATOM 0 HB2 LEU A 6 0.497 -30.562 3.186 1.00 20.43 H new ATOM 0 HB3 LEU A 6 -0.710 -31.747 3.647 1.00 20.43 H new ATOM 0 HG LEU A 6 -0.613 -32.486 1.158 1.00 50.22 H new ATOM 0 HD11 LEU A 6 1.605 -32.279 0.048 1.00 74.31 H new ATOM 0 HD12 LEU A 6 0.755 -30.722 0.194 1.00 74.31 H new ATOM 0 HD13 LEU A 6 2.098 -31.109 1.295 1.00 74.31 H new ATOM 0 HD21 LEU A 6 1.297 -34.058 1.685 1.00 21.52 H new ATOM 0 HD22 LEU A 6 1.716 -33.034 3.080 1.00 21.52 H new ATOM 0 HD23 LEU A 6 0.160 -33.897 3.045 1.00 21.52 H new ATOM 109 N LEU A 7 -1.528 -29.898 -0.047 1.00 2.43 N ATOM 110 CA LEU A 7 -1.330 -29.223 -1.343 1.00 45.22 C ATOM 111 C LEU A 7 -2.125 -27.892 -1.397 1.00 53.04 C ATOM 112 O LEU A 7 -1.579 -26.855 -1.776 1.00 61.10 O ATOM 113 CB LEU A 7 -1.727 -30.193 -2.509 1.00 74.54 C ATOM 114 CG LEU A 7 -1.030 -29.964 -3.898 1.00 42.21 C ATOM 115 CD1 LEU A 7 -1.540 -28.705 -4.626 1.00 72.50 C ATOM 116 CD2 LEU A 7 0.508 -29.934 -3.730 1.00 70.40 C ATOM 0 H LEU A 7 -1.964 -30.817 -0.124 1.00 2.43 H new ATOM 0 HA LEU A 7 -0.277 -28.967 -1.460 1.00 45.22 H new ATOM 0 HB2 LEU A 7 -1.515 -31.213 -2.188 1.00 74.54 H new ATOM 0 HB3 LEU A 7 -2.805 -30.123 -2.656 1.00 74.54 H new ATOM 0 HG LEU A 7 -1.298 -30.808 -4.534 1.00 42.21 H new ATOM 0 HD11 LEU A 7 -1.021 -28.601 -5.579 1.00 72.50 H new ATOM 0 HD12 LEU A 7 -2.611 -28.797 -4.804 1.00 72.50 H new ATOM 0 HD13 LEU A 7 -1.348 -27.826 -4.010 1.00 72.50 H new ATOM 0 HD21 LEU A 7 0.977 -29.775 -4.701 1.00 70.40 H new ATOM 0 HD22 LEU A 7 0.785 -29.123 -3.056 1.00 70.40 H new ATOM 0 HD23 LEU A 7 0.847 -30.883 -3.315 1.00 70.40 H new ATOM 128 N ILE A 8 -3.404 -27.936 -0.980 1.00 24.44 N ATOM 129 CA ILE A 8 -4.309 -26.787 -1.004 1.00 22.41 C ATOM 130 C ILE A 8 -3.890 -25.689 -0.003 1.00 70.43 C ATOM 131 O ILE A 8 -3.804 -24.534 -0.392 1.00 64.12 O ATOM 132 CB ILE A 8 -5.783 -27.263 -0.725 1.00 13.43 C ATOM 133 CG1 ILE A 8 -6.272 -28.231 -1.857 1.00 41.02 C ATOM 134 CG2 ILE A 8 -6.751 -26.068 -0.566 1.00 51.52 C ATOM 135 CD1 ILE A 8 -7.559 -28.962 -1.544 1.00 51.44 C ATOM 0 H ILE A 8 -3.837 -28.784 -0.614 1.00 24.44 H new ATOM 0 HA ILE A 8 -4.254 -26.343 -1.998 1.00 22.41 H new ATOM 0 HB ILE A 8 -5.781 -27.806 0.220 1.00 13.43 H new ATOM 0 HG12 ILE A 8 -6.408 -27.658 -2.774 1.00 41.02 H new ATOM 0 HG13 ILE A 8 -5.490 -28.965 -2.053 1.00 41.02 H new ATOM 0 HG21 ILE A 8 -7.758 -26.439 -0.375 1.00 51.52 H new ATOM 0 HG22 ILE A 8 -6.428 -25.447 0.269 1.00 51.52 H new ATOM 0 HG23 ILE A 8 -6.750 -25.475 -1.481 1.00 51.52 H new ATOM 0 HD11 ILE A 8 -7.823 -29.609 -2.381 1.00 51.44 H new ATOM 0 HD12 ILE A 8 -7.425 -29.566 -0.646 1.00 51.44 H new ATOM 0 HD13 ILE A 8 -8.357 -28.239 -1.379 1.00 51.44 H new ATOM 147 N VAL A 9 -3.630 -26.054 1.276 1.00 31.33 N ATOM 148 CA VAL A 9 -3.284 -25.080 2.329 1.00 52.10 C ATOM 149 C VAL A 9 -1.988 -24.293 1.986 1.00 21.03 C ATOM 150 O VAL A 9 -1.925 -23.070 2.158 1.00 42.13 O ATOM 151 CB VAL A 9 -3.174 -25.787 3.736 1.00 10.02 C ATOM 152 CG1 VAL A 9 -1.947 -26.724 3.858 1.00 5.45 C ATOM 153 CG2 VAL A 9 -3.223 -24.753 4.876 1.00 21.03 C ATOM 0 H VAL A 9 -3.655 -27.021 1.600 1.00 31.33 H new ATOM 0 HA VAL A 9 -4.093 -24.352 2.381 1.00 52.10 H new ATOM 0 HB VAL A 9 -4.045 -26.436 3.827 1.00 10.02 H new ATOM 0 HG11 VAL A 9 -1.932 -27.177 4.849 1.00 5.45 H new ATOM 0 HG12 VAL A 9 -2.010 -27.507 3.102 1.00 5.45 H new ATOM 0 HG13 VAL A 9 -1.033 -26.149 3.708 1.00 5.45 H new ATOM 0 HG21 VAL A 9 -3.145 -25.265 5.835 1.00 21.03 H new ATOM 0 HG22 VAL A 9 -2.393 -24.054 4.769 1.00 21.03 H new ATOM 0 HG23 VAL A 9 -4.165 -24.207 4.831 1.00 21.03 H new ATOM 163 N VAL A 10 -0.981 -25.003 1.444 1.00 53.12 N ATOM 164 CA VAL A 10 0.263 -24.386 0.965 1.00 72.33 C ATOM 165 C VAL A 10 0.013 -23.521 -0.303 1.00 3.12 C ATOM 166 O VAL A 10 0.561 -22.418 -0.415 1.00 4.41 O ATOM 167 CB VAL A 10 1.348 -25.500 0.701 1.00 3.32 C ATOM 168 CG1 VAL A 10 2.625 -24.932 0.057 1.00 40.45 C ATOM 169 CG2 VAL A 10 1.684 -26.254 2.013 1.00 43.54 C ATOM 0 H VAL A 10 -1.009 -26.016 1.328 1.00 53.12 H new ATOM 0 HA VAL A 10 0.639 -23.715 1.737 1.00 72.33 H new ATOM 0 HB VAL A 10 0.919 -26.205 -0.011 1.00 3.32 H new ATOM 0 HG11 VAL A 10 3.341 -25.738 -0.104 1.00 40.45 H new ATOM 0 HG12 VAL A 10 2.376 -24.471 -0.899 1.00 40.45 H new ATOM 0 HG13 VAL A 10 3.064 -24.184 0.717 1.00 40.45 H new ATOM 0 HG21 VAL A 10 2.434 -27.019 1.811 1.00 43.54 H new ATOM 0 HG22 VAL A 10 2.073 -25.549 2.748 1.00 43.54 H new ATOM 0 HG23 VAL A 10 0.782 -26.725 2.403 1.00 43.54 H new ATOM 179 N ALA A 11 -0.853 -24.008 -1.226 1.00 64.23 N ATOM 180 CA ALA A 11 -1.162 -23.298 -2.495 1.00 20.13 C ATOM 181 C ALA A 11 -1.863 -21.945 -2.241 1.00 14.44 C ATOM 182 O ALA A 11 -1.408 -20.904 -2.732 1.00 0.25 O ATOM 183 CB ALA A 11 -2.025 -24.182 -3.413 1.00 53.12 C ATOM 0 H ALA A 11 -1.351 -24.891 -1.116 1.00 64.23 H new ATOM 0 HA ALA A 11 -0.214 -23.091 -2.991 1.00 20.13 H new ATOM 0 HB1 ALA A 11 -2.241 -23.645 -4.337 1.00 53.12 H new ATOM 0 HB2 ALA A 11 -1.486 -25.101 -3.645 1.00 53.12 H new ATOM 0 HB3 ALA A 11 -2.960 -24.427 -2.909 1.00 53.12 H new ATOM 189 N ILE A 12 -2.949 -21.974 -1.435 1.00 44.30 N ATOM 190 CA ILE A 12 -3.780 -20.793 -1.147 1.00 42.22 C ATOM 191 C ILE A 12 -2.969 -19.693 -0.426 1.00 72.31 C ATOM 192 O ILE A 12 -2.974 -18.553 -0.877 1.00 73.34 O ATOM 193 CB ILE A 12 -5.089 -21.167 -0.341 1.00 51.14 C ATOM 194 CG1 ILE A 12 -4.754 -21.810 1.049 1.00 4.35 C ATOM 195 CG2 ILE A 12 -6.004 -22.100 -1.184 1.00 73.52 C ATOM 196 CD1 ILE A 12 -5.945 -22.254 1.878 1.00 2.34 C ATOM 0 H ILE A 12 -3.270 -22.821 -0.967 1.00 44.30 H new ATOM 0 HA ILE A 12 -4.102 -20.391 -2.108 1.00 42.22 H new ATOM 0 HB ILE A 12 -5.630 -20.242 -0.144 1.00 51.14 H new ATOM 0 HG12 ILE A 12 -4.110 -22.673 0.882 1.00 4.35 H new ATOM 0 HG13 ILE A 12 -4.179 -21.090 1.631 1.00 4.35 H new ATOM 0 HG21 ILE A 12 -6.899 -22.346 -0.612 1.00 73.52 H new ATOM 0 HG22 ILE A 12 -6.290 -21.593 -2.106 1.00 73.52 H new ATOM 0 HG23 ILE A 12 -5.465 -23.016 -1.426 1.00 73.52 H new ATOM 0 HD11 ILE A 12 -5.595 -22.683 2.817 1.00 2.34 H new ATOM 0 HD12 ILE A 12 -6.583 -21.395 2.087 1.00 2.34 H new ATOM 0 HD13 ILE A 12 -6.513 -23.003 1.326 1.00 2.34 H new ATOM 208 N ILE A 13 -2.211 -20.067 0.641 1.00 10.41 N ATOM 209 CA ILE A 13 -1.353 -19.129 1.396 1.00 60.03 C ATOM 210 C ILE A 13 -0.222 -18.563 0.494 1.00 4.23 C ATOM 211 O ILE A 13 0.197 -17.404 0.651 1.00 61.02 O ATOM 212 CB ILE A 13 -0.762 -19.853 2.668 1.00 63.12 C ATOM 213 CG1 ILE A 13 -1.918 -20.257 3.649 1.00 21.33 C ATOM 214 CG2 ILE A 13 0.296 -18.989 3.389 1.00 2.33 C ATOM 215 CD1 ILE A 13 -1.481 -21.064 4.861 1.00 34.43 C ATOM 0 H ILE A 13 -2.182 -21.023 0.995 1.00 10.41 H new ATOM 0 HA ILE A 13 -1.958 -18.285 1.727 1.00 60.03 H new ATOM 0 HB ILE A 13 -0.256 -20.756 2.328 1.00 63.12 H new ATOM 0 HG12 ILE A 13 -2.414 -19.350 3.995 1.00 21.33 H new ATOM 0 HG13 ILE A 13 -2.659 -20.834 3.095 1.00 21.33 H new ATOM 0 HG21 ILE A 13 0.675 -19.527 4.258 1.00 2.33 H new ATOM 0 HG22 ILE A 13 1.119 -18.777 2.706 1.00 2.33 H new ATOM 0 HG23 ILE A 13 -0.158 -18.052 3.712 1.00 2.33 H new ATOM 0 HD11 ILE A 13 -2.350 -21.294 5.477 1.00 34.43 H new ATOM 0 HD12 ILE A 13 -1.014 -21.992 4.531 1.00 34.43 H new ATOM 0 HD13 ILE A 13 -0.765 -20.485 5.445 1.00 34.43 H new ATOM 227 N GLY A 14 0.227 -19.396 -0.469 1.00 2.11 N ATOM 228 CA GLY A 14 1.197 -18.979 -1.481 1.00 24.52 C ATOM 229 C GLY A 14 0.691 -17.826 -2.355 1.00 44.11 C ATOM 230 O GLY A 14 1.444 -16.888 -2.652 1.00 74.04 O ATOM 0 H GLY A 14 -0.075 -20.366 -0.559 1.00 2.11 H new ATOM 0 HA2 GLY A 14 2.121 -18.676 -0.988 1.00 24.52 H new ATOM 0 HA3 GLY A 14 1.440 -19.830 -2.117 1.00 24.52 H new ATOM 234 N ILE A 15 -0.607 -17.886 -2.738 1.00 43.12 N ATOM 235 CA ILE A 15 -1.268 -16.829 -3.526 1.00 20.14 C ATOM 236 C ILE A 15 -1.486 -15.573 -2.665 1.00 73.11 C ATOM 237 O ILE A 15 -1.211 -14.470 -3.119 1.00 24.34 O ATOM 238 CB ILE A 15 -2.652 -17.344 -4.077 1.00 71.12 C ATOM 239 CG1 ILE A 15 -2.468 -18.687 -4.869 1.00 43.51 C ATOM 240 CG2 ILE A 15 -3.352 -16.272 -4.963 1.00 3.51 C ATOM 241 CD1 ILE A 15 -3.679 -19.589 -4.850 1.00 60.45 C ATOM 0 H ILE A 15 -1.220 -18.668 -2.508 1.00 43.12 H new ATOM 0 HA ILE A 15 -0.623 -16.573 -4.366 1.00 20.14 H new ATOM 0 HB ILE A 15 -3.298 -17.533 -3.220 1.00 71.12 H new ATOM 0 HG12 ILE A 15 -2.219 -18.454 -5.904 1.00 43.51 H new ATOM 0 HG13 ILE A 15 -1.619 -19.228 -4.451 1.00 43.51 H new ATOM 0 HG21 ILE A 15 -4.303 -16.663 -5.325 1.00 3.51 H new ATOM 0 HG22 ILE A 15 -3.530 -15.373 -4.373 1.00 3.51 H new ATOM 0 HG23 ILE A 15 -2.714 -16.028 -5.812 1.00 3.51 H new ATOM 0 HD11 ILE A 15 -3.468 -20.494 -5.420 1.00 60.45 H new ATOM 0 HD12 ILE A 15 -3.918 -19.856 -3.821 1.00 60.45 H new ATOM 0 HD13 ILE A 15 -4.527 -19.069 -5.296 1.00 60.45 H new ATOM 253 N LEU A 16 -1.949 -15.775 -1.408 1.00 4.44 N ATOM 254 CA LEU A 16 -2.264 -14.673 -0.462 1.00 32.32 C ATOM 255 C LEU A 16 -1.032 -13.782 -0.211 1.00 44.01 C ATOM 256 O LEU A 16 -1.152 -12.567 -0.128 1.00 5.02 O ATOM 257 CB LEU A 16 -2.788 -15.221 0.901 1.00 41.12 C ATOM 258 CG LEU A 16 -3.997 -16.215 0.843 1.00 73.22 C ATOM 259 CD1 LEU A 16 -4.542 -16.557 2.249 1.00 13.04 C ATOM 260 CD2 LEU A 16 -5.108 -15.718 -0.107 1.00 11.42 C ATOM 0 H LEU A 16 -2.115 -16.704 -1.020 1.00 4.44 H new ATOM 0 HA LEU A 16 -3.048 -14.075 -0.927 1.00 32.32 H new ATOM 0 HB2 LEU A 16 -1.962 -15.720 1.407 1.00 41.12 H new ATOM 0 HB3 LEU A 16 -3.075 -14.372 1.521 1.00 41.12 H new ATOM 0 HG LEU A 16 -3.617 -17.147 0.424 1.00 73.22 H new ATOM 0 HD11 LEU A 16 -5.379 -17.249 2.156 1.00 13.04 H new ATOM 0 HD12 LEU A 16 -3.753 -17.019 2.843 1.00 13.04 H new ATOM 0 HD13 LEU A 16 -4.879 -15.644 2.741 1.00 13.04 H new ATOM 0 HD21 LEU A 16 -5.927 -16.437 -0.117 1.00 11.42 H new ATOM 0 HD22 LEU A 16 -5.477 -14.753 0.239 1.00 11.42 H new ATOM 0 HD23 LEU A 16 -4.705 -15.613 -1.114 1.00 11.42 H new ATOM 272 N ALA A 17 0.144 -14.418 -0.100 1.00 54.14 N ATOM 273 CA ALA A 17 1.428 -13.710 0.089 1.00 64.22 C ATOM 274 C ALA A 17 1.875 -13.020 -1.219 1.00 5.32 C ATOM 275 O ALA A 17 2.195 -11.830 -1.227 1.00 4.14 O ATOM 276 CB ALA A 17 2.498 -14.692 0.584 1.00 74.52 C ATOM 0 H ALA A 17 0.236 -15.433 -0.138 1.00 54.14 H new ATOM 0 HA ALA A 17 1.292 -12.934 0.842 1.00 64.22 H new ATOM 0 HB1 ALA A 17 3.441 -14.163 0.721 1.00 74.52 H new ATOM 0 HB2 ALA A 17 2.183 -15.125 1.534 1.00 74.52 H new ATOM 0 HB3 ALA A 17 2.631 -15.486 -0.151 1.00 74.52 H new ATOM 282 N ALA A 18 1.839 -13.786 -2.325 1.00 61.54 N ATOM 283 CA ALA A 18 2.293 -13.330 -3.660 1.00 62.14 C ATOM 284 C ALA A 18 1.453 -12.158 -4.233 1.00 43.40 C ATOM 285 O ALA A 18 1.941 -11.425 -5.095 1.00 55.20 O ATOM 286 CB ALA A 18 2.306 -14.514 -4.644 1.00 60.11 C ATOM 0 H ALA A 18 1.493 -14.745 -2.322 1.00 61.54 H new ATOM 0 HA ALA A 18 3.304 -12.943 -3.530 1.00 62.14 H new ATOM 0 HB1 ALA A 18 2.641 -14.170 -5.623 1.00 60.11 H new ATOM 0 HB2 ALA A 18 2.985 -15.284 -4.278 1.00 60.11 H new ATOM 0 HB3 ALA A 18 1.301 -14.927 -4.729 1.00 60.11 H new ATOM 292 N ILE A 19 0.189 -11.999 -3.784 1.00 70.31 N ATOM 293 CA ILE A 19 -0.634 -10.817 -4.144 1.00 20.12 C ATOM 294 C ILE A 19 -0.444 -9.673 -3.133 1.00 34.34 C ATOM 295 O ILE A 19 -0.377 -8.518 -3.527 1.00 54.34 O ATOM 296 CB ILE A 19 -2.166 -11.160 -4.356 1.00 41.25 C ATOM 297 CG1 ILE A 19 -2.851 -11.798 -3.096 1.00 35.44 C ATOM 298 CG2 ILE A 19 -2.350 -12.052 -5.608 1.00 63.02 C ATOM 299 CD1 ILE A 19 -3.434 -10.795 -2.118 1.00 53.52 C ATOM 0 H ILE A 19 -0.284 -12.668 -3.176 1.00 70.31 H new ATOM 0 HA ILE A 19 -0.268 -10.477 -5.113 1.00 20.12 H new ATOM 0 HB ILE A 19 -2.677 -10.210 -4.515 1.00 41.25 H new ATOM 0 HG12 ILE A 19 -3.646 -12.465 -3.430 1.00 35.44 H new ATOM 0 HG13 ILE A 19 -2.118 -12.412 -2.573 1.00 35.44 H new ATOM 0 HG21 ILE A 19 -3.408 -12.279 -5.741 1.00 63.02 H new ATOM 0 HG22 ILE A 19 -1.979 -11.526 -6.487 1.00 63.02 H new ATOM 0 HG23 ILE A 19 -1.793 -12.980 -5.479 1.00 63.02 H new ATOM 0 HD11 ILE A 19 -3.886 -11.325 -1.280 1.00 53.52 H new ATOM 0 HD12 ILE A 19 -2.642 -10.143 -1.750 1.00 53.52 H new ATOM 0 HD13 ILE A 19 -4.193 -10.196 -2.621 1.00 53.52 H new ATOM 311 N ALA A 20 -0.324 -10.023 -1.838 1.00 12.03 N ATOM 312 CA ALA A 20 -0.239 -9.038 -0.728 1.00 51.02 C ATOM 313 C ALA A 20 1.013 -8.156 -0.811 1.00 65.22 C ATOM 314 O ALA A 20 0.915 -6.948 -0.698 1.00 22.35 O ATOM 315 CB ALA A 20 -0.301 -9.739 0.636 1.00 42.14 C ATOM 0 H ALA A 20 -0.283 -10.993 -1.526 1.00 12.03 H new ATOM 0 HA ALA A 20 -1.104 -8.383 -0.834 1.00 51.02 H new ATOM 0 HB1 ALA A 20 -0.237 -8.995 1.430 1.00 42.14 H new ATOM 0 HB2 ALA A 20 -1.242 -10.283 0.723 1.00 42.14 H new ATOM 0 HB3 ALA A 20 0.531 -10.437 0.724 1.00 42.14 H new ATOM 321 N ILE A 21 2.173 -8.788 -1.028 1.00 45.14 N ATOM 322 CA ILE A 21 3.485 -8.103 -1.066 1.00 64.45 C ATOM 323 C ILE A 21 3.557 -6.965 -2.135 1.00 2.14 C ATOM 324 O ILE A 21 3.888 -5.850 -1.766 1.00 52.02 O ATOM 325 CB ILE A 21 4.653 -9.152 -1.232 1.00 74.44 C ATOM 326 CG1 ILE A 21 4.769 -10.037 0.056 1.00 61.30 C ATOM 327 CG2 ILE A 21 5.998 -8.463 -1.592 1.00 14.33 C ATOM 328 CD1 ILE A 21 5.339 -11.427 -0.184 1.00 1.00 C ATOM 0 H ILE A 21 2.235 -9.794 -1.184 1.00 45.14 H new ATOM 0 HA ILE A 21 3.611 -7.601 -0.106 1.00 64.45 H new ATOM 0 HB ILE A 21 4.412 -9.806 -2.070 1.00 74.44 H new ATOM 0 HG12 ILE A 21 5.398 -9.520 0.781 1.00 61.30 H new ATOM 0 HG13 ILE A 21 3.780 -10.136 0.504 1.00 61.30 H new ATOM 0 HG21 ILE A 21 6.777 -9.218 -1.698 1.00 14.33 H new ATOM 0 HG22 ILE A 21 5.889 -7.920 -2.531 1.00 14.33 H new ATOM 0 HG23 ILE A 21 6.273 -7.766 -0.800 1.00 14.33 H new ATOM 0 HD11 ILE A 21 5.384 -11.970 0.760 1.00 1.00 H new ATOM 0 HD12 ILE A 21 4.700 -11.967 -0.883 1.00 1.00 H new ATOM 0 HD13 ILE A 21 6.342 -11.342 -0.601 1.00 1.00 H new ATOM 340 N PRO A 22 3.258 -7.201 -3.459 1.00 3.11 N ATOM 341 CA PRO A 22 3.202 -6.091 -4.452 1.00 63.12 C ATOM 342 C PRO A 22 2.048 -5.097 -4.186 1.00 40.14 C ATOM 343 O PRO A 22 2.209 -3.901 -4.381 1.00 60.24 O ATOM 344 CB PRO A 22 2.983 -6.817 -5.794 1.00 44.31 C ATOM 345 CG PRO A 22 2.360 -8.125 -5.421 1.00 64.42 C ATOM 346 CD PRO A 22 2.994 -8.513 -4.113 1.00 52.34 C ATOM 0 HA PRO A 22 4.106 -5.483 -4.418 1.00 63.12 H new ATOM 0 HB2 PRO A 22 2.333 -6.242 -6.454 1.00 44.31 H new ATOM 0 HB3 PRO A 22 3.925 -6.963 -6.323 1.00 44.31 H new ATOM 0 HG2 PRO A 22 1.279 -8.030 -5.320 1.00 64.42 H new ATOM 0 HG3 PRO A 22 2.544 -8.880 -6.186 1.00 64.42 H new ATOM 0 HD2 PRO A 22 2.330 -9.135 -3.513 1.00 52.34 H new ATOM 0 HD3 PRO A 22 3.913 -9.080 -4.264 1.00 52.34 H new ATOM 354 N GLN A 23 0.896 -5.625 -3.744 1.00 1.42 N ATOM 355 CA GLN A 23 -0.332 -4.821 -3.485 1.00 31.24 C ATOM 356 C GLN A 23 -0.090 -3.800 -2.354 1.00 63.02 C ATOM 357 O GLN A 23 -0.548 -2.656 -2.408 1.00 61.31 O ATOM 358 CB GLN A 23 -1.499 -5.772 -3.099 1.00 13.42 C ATOM 359 CG GLN A 23 -2.838 -5.095 -2.757 1.00 11.33 C ATOM 360 CD GLN A 23 -3.865 -6.077 -2.188 1.00 35.30 C ATOM 361 OE1 GLN A 23 -4.643 -6.688 -2.914 1.00 71.52 O ATOM 362 NE2 GLN A 23 -3.871 -6.250 -0.876 1.00 71.25 N ATOM 0 H GLN A 23 0.779 -6.620 -3.553 1.00 1.42 H new ATOM 0 HA GLN A 23 -0.590 -4.272 -4.391 1.00 31.24 H new ATOM 0 HB2 GLN A 23 -1.665 -6.464 -3.925 1.00 13.42 H new ATOM 0 HB3 GLN A 23 -1.187 -6.368 -2.241 1.00 13.42 H new ATOM 0 HG2 GLN A 23 -2.664 -4.298 -2.034 1.00 11.33 H new ATOM 0 HG3 GLN A 23 -3.245 -4.629 -3.654 1.00 11.33 H new ATOM 0 HE21 GLN A 23 -3.216 -5.732 -0.290 1.00 71.25 H new ATOM 0 HE22 GLN A 23 -4.531 -6.901 -0.450 1.00 71.25 H new ATOM 371 N PHE A 24 0.688 -4.240 -1.363 1.00 3.15 N ATOM 372 CA PHE A 24 0.934 -3.486 -0.105 1.00 3.12 C ATOM 373 C PHE A 24 2.211 -2.635 -0.204 1.00 40.45 C ATOM 374 O PHE A 24 2.267 -1.538 0.351 1.00 24.54 O ATOM 375 CB PHE A 24 1.018 -4.451 1.101 1.00 34.41 C ATOM 376 CG PHE A 24 1.173 -3.772 2.466 1.00 51.03 C ATOM 377 CD1 PHE A 24 0.120 -3.032 3.013 1.00 21.23 C ATOM 378 CD2 PHE A 24 2.359 -3.868 3.197 1.00 3.43 C ATOM 379 CE1 PHE A 24 0.253 -2.415 4.243 1.00 50.42 C ATOM 380 CE2 PHE A 24 2.488 -3.249 4.427 1.00 41.23 C ATOM 381 CZ PHE A 24 1.434 -2.526 4.950 1.00 71.54 C ATOM 0 H PHE A 24 1.175 -5.136 -1.399 1.00 3.15 H new ATOM 0 HA PHE A 24 0.092 -2.810 0.048 1.00 3.12 H new ATOM 0 HB2 PHE A 24 0.118 -5.066 1.118 1.00 34.41 H new ATOM 0 HB3 PHE A 24 1.861 -5.125 0.950 1.00 34.41 H new ATOM 0 HD1 PHE A 24 -0.808 -2.941 2.468 1.00 21.23 H new ATOM 0 HD2 PHE A 24 3.187 -4.434 2.796 1.00 3.43 H new ATOM 0 HE1 PHE A 24 -0.568 -1.845 4.652 1.00 50.42 H new ATOM 0 HE2 PHE A 24 3.413 -3.331 4.978 1.00 41.23 H new ATOM 0 HZ PHE A 24 1.533 -2.047 5.913 1.00 71.54 H new ATOM 391 N SER A 25 3.242 -3.163 -0.893 1.00 4.02 N ATOM 392 CA SER A 25 4.455 -2.375 -1.232 1.00 44.33 C ATOM 393 C SER A 25 4.067 -1.146 -2.089 1.00 1.20 C ATOM 394 O SER A 25 4.363 -0.013 -1.717 1.00 55.41 O ATOM 395 CB SER A 25 5.503 -3.244 -1.972 1.00 61.01 C ATOM 396 OG SER A 25 6.685 -2.514 -2.272 1.00 43.22 O ATOM 0 H SER A 25 3.264 -4.127 -1.227 1.00 4.02 H new ATOM 0 HA SER A 25 4.908 -2.031 -0.302 1.00 44.33 H new ATOM 0 HB2 SER A 25 5.757 -4.108 -1.357 1.00 61.01 H new ATOM 0 HB3 SER A 25 5.069 -3.627 -2.896 1.00 61.01 H new ATOM 0 HG SER A 25 7.321 -3.097 -2.737 1.00 43.22 H new ATOM 402 N ALA A 26 3.338 -1.401 -3.196 1.00 33.02 N ATOM 403 CA ALA A 26 2.817 -0.342 -4.103 1.00 60.20 C ATOM 404 C ALA A 26 1.768 0.569 -3.412 1.00 42.14 C ATOM 405 O ALA A 26 1.609 1.735 -3.797 1.00 61.35 O ATOM 406 CB ALA A 26 2.219 -0.971 -5.371 1.00 14.43 C ATOM 0 H ALA A 26 3.091 -2.346 -3.491 1.00 33.02 H new ATOM 0 HA ALA A 26 3.663 0.289 -4.374 1.00 60.20 H new ATOM 0 HB1 ALA A 26 1.842 -0.184 -6.024 1.00 14.43 H new ATOM 0 HB2 ALA A 26 2.989 -1.539 -5.893 1.00 14.43 H new ATOM 0 HB3 ALA A 26 1.401 -1.637 -5.096 1.00 14.43 H new ATOM 412 N TYR A 27 1.038 0.022 -2.407 1.00 55.53 N ATOM 413 CA TYR A 27 0.118 0.829 -1.563 1.00 45.12 C ATOM 414 C TYR A 27 0.910 1.883 -0.772 1.00 41.13 C ATOM 415 O TYR A 27 0.578 3.067 -0.792 1.00 13.02 O ATOM 416 CB TYR A 27 -0.646 -0.068 -0.566 1.00 75.41 C ATOM 417 CG TYR A 27 -1.626 0.695 0.357 1.00 20.41 C ATOM 418 CD1 TYR A 27 -2.820 1.222 -0.144 1.00 34.11 C ATOM 419 CD2 TYR A 27 -1.336 0.929 1.711 1.00 51.04 C ATOM 420 CE1 TYR A 27 -3.691 1.930 0.662 1.00 51.25 C ATOM 421 CE2 TYR A 27 -2.207 1.643 2.518 1.00 13.04 C ATOM 422 CZ TYR A 27 -3.378 2.144 1.988 1.00 62.42 C ATOM 423 OH TYR A 27 -4.247 2.860 2.788 1.00 44.31 O ATOM 0 H TYR A 27 1.068 -0.968 -2.162 1.00 55.53 H new ATOM 0 HA TYR A 27 -0.596 1.319 -2.225 1.00 45.12 H new ATOM 0 HB2 TYR A 27 -1.203 -0.820 -1.125 1.00 75.41 H new ATOM 0 HB3 TYR A 27 0.076 -0.601 0.052 1.00 75.41 H new ATOM 0 HD1 TYR A 27 -3.067 1.072 -1.185 1.00 34.11 H new ATOM 0 HD2 TYR A 27 -0.418 0.546 2.131 1.00 51.04 H new ATOM 0 HE1 TYR A 27 -4.614 2.315 0.255 1.00 51.25 H new ATOM 0 HE2 TYR A 27 -1.970 1.807 3.559 1.00 13.04 H new ATOM 0 HH TYR A 27 -3.881 2.921 3.695 1.00 44.31 H new ATOM 433 N ARG A 28 1.968 1.415 -0.082 1.00 41.31 N ATOM 434 CA ARG A 28 2.850 2.273 0.723 1.00 74.23 C ATOM 435 C ARG A 28 3.629 3.257 -0.147 1.00 60.40 C ATOM 436 O ARG A 28 4.046 4.298 0.341 1.00 11.01 O ATOM 437 CB ARG A 28 3.836 1.429 1.574 1.00 62.22 C ATOM 438 CG ARG A 28 3.187 0.629 2.723 1.00 14.42 C ATOM 439 CD ARG A 28 4.240 -0.043 3.619 1.00 53.11 C ATOM 440 NE ARG A 28 5.213 0.943 4.129 1.00 45.44 N ATOM 441 CZ ARG A 28 6.498 0.726 4.322 1.00 53.01 C ATOM 442 NH1 ARG A 28 7.026 -0.430 4.113 1.00 63.22 N ATOM 443 NH2 ARG A 28 7.250 1.695 4.724 1.00 73.14 N ATOM 0 H ARG A 28 2.233 0.430 -0.069 1.00 41.31 H new ATOM 0 HA ARG A 28 2.207 2.842 1.394 1.00 74.23 H new ATOM 0 HB2 ARG A 28 4.357 0.733 0.916 1.00 62.22 H new ATOM 0 HB3 ARG A 28 4.590 2.094 1.995 1.00 62.22 H new ATOM 0 HG2 ARG A 28 2.569 1.295 3.325 1.00 14.42 H new ATOM 0 HG3 ARG A 28 2.525 -0.131 2.308 1.00 14.42 H new ATOM 0 HD2 ARG A 28 3.747 -0.538 4.456 1.00 53.11 H new ATOM 0 HD3 ARG A 28 4.762 -0.815 3.055 1.00 53.11 H new ATOM 0 HE ARG A 28 4.860 1.874 4.351 1.00 45.44 H new ATOM 0 HH11 ARG A 28 6.446 -1.205 3.790 1.00 63.22 H new ATOM 0 HH12 ARG A 28 8.024 -0.571 4.270 1.00 63.22 H new ATOM 0 HH21 ARG A 28 6.848 2.618 4.889 1.00 73.14 H new ATOM 0 HH22 ARG A 28 8.246 1.538 4.877 1.00 73.14 H new ATOM 457 N VAL A 29 3.828 2.915 -1.430 1.00 71.10 N ATOM 458 CA VAL A 29 4.461 3.848 -2.390 1.00 21.10 C ATOM 459 C VAL A 29 3.518 5.024 -2.673 1.00 41.15 C ATOM 460 O VAL A 29 3.864 6.182 -2.435 1.00 74.45 O ATOM 461 CB VAL A 29 4.883 3.154 -3.743 1.00 52.41 C ATOM 462 CG1 VAL A 29 5.418 4.175 -4.786 1.00 51.14 C ATOM 463 CG2 VAL A 29 5.925 2.050 -3.486 1.00 74.44 C ATOM 0 H VAL A 29 3.566 2.013 -1.828 1.00 71.10 H new ATOM 0 HA VAL A 29 5.379 4.207 -1.924 1.00 21.10 H new ATOM 0 HB VAL A 29 3.985 2.702 -4.164 1.00 52.41 H new ATOM 0 HG11 VAL A 29 5.696 3.650 -5.700 1.00 51.14 H new ATOM 0 HG12 VAL A 29 4.642 4.907 -5.009 1.00 51.14 H new ATOM 0 HG13 VAL A 29 6.292 4.685 -4.381 1.00 51.14 H new ATOM 0 HG21 VAL A 29 6.202 1.584 -4.432 1.00 74.44 H new ATOM 0 HG22 VAL A 29 6.810 2.486 -3.023 1.00 74.44 H new ATOM 0 HG23 VAL A 29 5.501 1.297 -2.821 1.00 74.44 H new ATOM 473 N LYS A 30 2.303 4.692 -3.126 1.00 52.12 N ATOM 474 CA LYS A 30 1.298 5.695 -3.512 1.00 72.35 C ATOM 475 C LYS A 30 0.794 6.494 -2.288 1.00 72.32 C ATOM 476 O LYS A 30 0.318 7.606 -2.449 1.00 54.31 O ATOM 477 CB LYS A 30 0.101 5.027 -4.243 1.00 21.33 C ATOM 478 CG LYS A 30 -0.969 4.417 -3.310 1.00 10.24 C ATOM 479 CD LYS A 30 -2.163 3.799 -4.068 1.00 60.41 C ATOM 480 CE LYS A 30 -3.302 3.387 -3.116 1.00 51.34 C ATOM 481 NZ LYS A 30 -4.508 2.917 -3.843 1.00 73.44 N ATOM 0 H LYS A 30 1.988 3.728 -3.236 1.00 52.12 H new ATOM 0 HA LYS A 30 1.783 6.392 -4.196 1.00 72.35 H new ATOM 0 HB2 LYS A 30 -0.376 5.769 -4.883 1.00 21.33 H new ATOM 0 HB3 LYS A 30 0.484 4.242 -4.895 1.00 21.33 H new ATOM 0 HG2 LYS A 30 -0.505 3.650 -2.690 1.00 10.24 H new ATOM 0 HG3 LYS A 30 -1.337 5.191 -2.637 1.00 10.24 H new ATOM 0 HD2 LYS A 30 -2.541 4.517 -4.796 1.00 60.41 H new ATOM 0 HD3 LYS A 30 -1.825 2.927 -4.627 1.00 60.41 H new ATOM 0 HE2 LYS A 30 -2.950 2.596 -2.454 1.00 51.34 H new ATOM 0 HE3 LYS A 30 -3.569 4.235 -2.486 1.00 51.34 H new ATOM 0 HZ1 LYS A 30 -5.245 2.652 -3.158 1.00 73.44 H new ATOM 0 HZ2 LYS A 30 -4.863 3.679 -4.456 1.00 73.44 H new ATOM 0 HZ3 LYS A 30 -4.263 2.091 -4.425 1.00 73.44 H new ATOM 495 N ALA A 31 0.885 5.906 -1.069 1.00 40.41 N ATOM 496 CA ALA A 31 0.403 6.566 0.171 1.00 71.41 C ATOM 497 C ALA A 31 1.460 7.554 0.685 1.00 61.51 C ATOM 498 O ALA A 31 1.141 8.653 1.141 1.00 71.00 O ATOM 499 CB ALA A 31 0.050 5.525 1.251 1.00 24.42 C ATOM 0 H ALA A 31 1.286 4.980 -0.918 1.00 40.41 H new ATOM 0 HA ALA A 31 -0.507 7.119 -0.062 1.00 71.41 H new ATOM 0 HB1 ALA A 31 -0.300 6.036 2.148 1.00 24.42 H new ATOM 0 HB2 ALA A 31 -0.735 4.866 0.879 1.00 24.42 H new ATOM 0 HB3 ALA A 31 0.935 4.935 1.491 1.00 24.42 H new ATOM 505 N TYR A 32 2.731 7.150 0.544 1.00 25.35 N ATOM 506 CA TYR A 32 3.901 7.951 0.977 1.00 74.40 C ATOM 507 C TYR A 32 4.192 9.092 -0.020 1.00 1.14 C ATOM 508 O TYR A 32 4.945 10.020 0.280 1.00 33.43 O ATOM 509 CB TYR A 32 5.128 7.018 1.130 1.00 63.33 C ATOM 510 CG TYR A 32 6.277 7.567 1.993 1.00 4.31 C ATOM 511 CD1 TYR A 32 6.157 7.622 3.386 1.00 4.24 C ATOM 512 CD2 TYR A 32 7.476 8.019 1.428 1.00 51.22 C ATOM 513 CE1 TYR A 32 7.179 8.111 4.174 1.00 24.21 C ATOM 514 CE2 TYR A 32 8.498 8.506 2.217 1.00 24.12 C ATOM 515 CZ TYR A 32 8.345 8.547 3.587 1.00 21.04 C ATOM 516 OH TYR A 32 9.360 9.042 4.374 1.00 52.25 O ATOM 0 H TYR A 32 2.985 6.255 0.125 1.00 25.35 H new ATOM 0 HA TYR A 32 3.681 8.413 1.939 1.00 74.40 H new ATOM 0 HB2 TYR A 32 4.793 6.074 1.561 1.00 63.33 H new ATOM 0 HB3 TYR A 32 5.518 6.795 0.137 1.00 63.33 H new ATOM 0 HD1 TYR A 32 5.247 7.275 3.853 1.00 4.24 H new ATOM 0 HD2 TYR A 32 7.603 7.986 0.356 1.00 51.22 H new ATOM 0 HE1 TYR A 32 7.064 8.151 5.247 1.00 24.21 H new ATOM 0 HE2 TYR A 32 9.414 8.854 1.763 1.00 24.12 H new ATOM 0 HH TYR A 32 10.114 9.306 3.807 1.00 52.25 H new ATOM 526 N ASN A 33 3.605 8.978 -1.222 1.00 21.42 N ATOM 527 CA ASN A 33 3.655 10.025 -2.264 1.00 71.42 C ATOM 528 C ASN A 33 2.414 10.944 -2.216 1.00 24.31 C ATOM 529 O ASN A 33 2.549 12.165 -2.175 1.00 3.55 O ATOM 530 CB ASN A 33 3.797 9.393 -3.672 1.00 41.33 C ATOM 531 CG ASN A 33 5.102 8.610 -3.865 1.00 5.03 C ATOM 532 OD1 ASN A 33 6.112 8.881 -3.225 1.00 34.23 O ATOM 533 ND2 ASN A 33 5.105 7.649 -4.770 1.00 44.14 N ATOM 0 H ASN A 33 3.077 8.152 -1.504 1.00 21.42 H new ATOM 0 HA ASN A 33 4.533 10.639 -2.061 1.00 71.42 H new ATOM 0 HB2 ASN A 33 2.953 8.726 -3.848 1.00 41.33 H new ATOM 0 HB3 ASN A 33 3.742 10.182 -4.422 1.00 41.33 H new ATOM 0 HD21 ASN A 33 5.957 7.117 -4.947 1.00 44.14 H new ATOM 0 HD22 ASN A 33 4.255 7.438 -5.293 1.00 44.14 H new ATOM 540 N SER A 34 1.209 10.340 -2.201 1.00 63.52 N ATOM 541 CA SER A 34 -0.077 11.103 -2.328 1.00 43.34 C ATOM 542 C SER A 34 -0.375 11.937 -1.070 1.00 4.25 C ATOM 543 O SER A 34 -0.615 13.150 -1.165 1.00 42.14 O ATOM 544 CB SER A 34 -1.274 10.165 -2.616 1.00 70.33 C ATOM 545 OG SER A 34 -2.496 10.876 -2.746 1.00 64.42 O ATOM 0 H SER A 34 1.086 9.332 -2.103 1.00 63.52 H new ATOM 0 HA SER A 34 0.053 11.779 -3.173 1.00 43.34 H new ATOM 0 HB2 SER A 34 -1.082 9.606 -3.532 1.00 70.33 H new ATOM 0 HB3 SER A 34 -1.364 9.436 -1.810 1.00 70.33 H new ATOM 0 HG SER A 34 -3.224 10.245 -2.929 1.00 64.42 H new ATOM 551 N ALA A 35 -0.351 11.273 0.104 1.00 23.14 N ATOM 552 CA ALA A 35 -0.596 11.930 1.406 1.00 33.32 C ATOM 553 C ALA A 35 0.521 12.936 1.757 1.00 51.21 C ATOM 554 O ALA A 35 0.268 13.920 2.447 1.00 41.22 O ATOM 555 CB ALA A 35 -0.745 10.884 2.517 1.00 54.44 C ATOM 0 H ALA A 35 -0.163 10.273 0.177 1.00 23.14 H new ATOM 0 HA ALA A 35 -1.528 12.489 1.322 1.00 33.32 H new ATOM 0 HB1 ALA A 35 -0.925 11.386 3.468 1.00 54.44 H new ATOM 0 HB2 ALA A 35 -1.585 10.228 2.289 1.00 54.44 H new ATOM 0 HB3 ALA A 35 0.169 10.293 2.586 1.00 54.44 H new ATOM 561 N ALA A 36 1.758 12.673 1.277 1.00 33.42 N ATOM 562 CA ALA A 36 2.895 13.612 1.427 1.00 42.32 C ATOM 563 C ALA A 36 2.654 14.907 0.631 1.00 1.15 C ATOM 564 O ALA A 36 2.612 15.993 1.204 1.00 61.35 O ATOM 565 CB ALA A 36 4.199 12.958 0.968 1.00 11.03 C ATOM 0 H ALA A 36 1.995 11.814 0.780 1.00 33.42 H new ATOM 0 HA ALA A 36 2.977 13.865 2.484 1.00 42.32 H new ATOM 0 HB1 ALA A 36 5.021 13.664 1.086 1.00 11.03 H new ATOM 0 HB2 ALA A 36 4.393 12.071 1.571 1.00 11.03 H new ATOM 0 HB3 ALA A 36 4.114 12.673 -0.081 1.00 11.03 H new ATOM 571 N SER A 37 2.471 14.751 -0.698 1.00 71.01 N ATOM 572 CA SER A 37 2.208 15.871 -1.632 1.00 61.41 C ATOM 573 C SER A 37 1.012 16.730 -1.180 1.00 74.12 C ATOM 574 O SER A 37 1.075 17.948 -1.235 1.00 1.54 O ATOM 575 CB SER A 37 1.954 15.347 -3.071 1.00 42.02 C ATOM 576 OG SER A 37 3.099 14.695 -3.598 1.00 52.32 O ATOM 0 H SER A 37 2.501 13.841 -1.157 1.00 71.01 H new ATOM 0 HA SER A 37 3.100 16.498 -1.628 1.00 61.41 H new ATOM 0 HB2 SER A 37 1.112 14.655 -3.064 1.00 42.02 H new ATOM 0 HB3 SER A 37 1.678 16.179 -3.719 1.00 42.02 H new ATOM 0 HG SER A 37 3.143 13.780 -3.250 1.00 52.32 H new ATOM 582 N SER A 38 -0.051 16.070 -0.685 1.00 74.32 N ATOM 583 CA SER A 38 -1.301 16.746 -0.270 1.00 14.24 C ATOM 584 C SER A 38 -1.159 17.464 1.081 1.00 41.03 C ATOM 585 O SER A 38 -1.702 18.547 1.256 1.00 33.32 O ATOM 586 CB SER A 38 -2.476 15.738 -0.231 1.00 43.23 C ATOM 587 OG SER A 38 -3.703 16.344 0.166 1.00 10.52 O ATOM 0 H SER A 38 -0.071 15.058 -0.561 1.00 74.32 H new ATOM 0 HA SER A 38 -1.514 17.511 -1.016 1.00 14.24 H new ATOM 0 HB2 SER A 38 -2.598 15.290 -1.217 1.00 43.23 H new ATOM 0 HB3 SER A 38 -2.234 14.930 0.459 1.00 43.23 H new ATOM 0 HG SER A 38 -4.414 15.669 0.174 1.00 10.52 H new ATOM 593 N ASP A 39 -0.430 16.856 2.023 1.00 55.22 N ATOM 594 CA ASP A 39 -0.161 17.471 3.345 1.00 72.44 C ATOM 595 C ASP A 39 0.669 18.763 3.207 1.00 2.34 C ATOM 596 O ASP A 39 0.335 19.800 3.777 1.00 45.25 O ATOM 597 CB ASP A 39 0.592 16.472 4.250 1.00 21.14 C ATOM 598 CG ASP A 39 0.821 16.991 5.682 1.00 31.13 C ATOM 599 OD1 ASP A 39 -0.175 17.292 6.375 1.00 13.12 O ATOM 600 OD2 ASP A 39 1.988 17.110 6.120 1.00 25.22 O ATOM 0 H ASP A 39 -0.010 15.934 1.902 1.00 55.22 H new ATOM 0 HA ASP A 39 -1.121 17.725 3.794 1.00 72.44 H new ATOM 0 HB2 ASP A 39 0.029 15.540 4.296 1.00 21.14 H new ATOM 0 HB3 ASP A 39 1.556 16.240 3.798 1.00 21.14 H new ATOM 605 N LEU A 40 1.735 18.670 2.404 1.00 11.33 N ATOM 606 CA LEU A 40 2.738 19.744 2.266 1.00 42.03 C ATOM 607 C LEU A 40 2.218 20.862 1.343 1.00 23.10 C ATOM 608 O LEU A 40 2.520 22.039 1.550 1.00 32.30 O ATOM 609 CB LEU A 40 4.077 19.154 1.753 1.00 5.41 C ATOM 610 CG LEU A 40 4.672 17.977 2.610 1.00 3.12 C ATOM 611 CD1 LEU A 40 5.995 17.443 2.013 1.00 11.33 C ATOM 612 CD2 LEU A 40 4.846 18.381 4.098 1.00 73.33 C ATOM 0 H LEU A 40 1.931 17.850 1.830 1.00 11.33 H new ATOM 0 HA LEU A 40 2.918 20.191 3.244 1.00 42.03 H new ATOM 0 HB2 LEU A 40 3.930 18.799 0.733 1.00 5.41 H new ATOM 0 HB3 LEU A 40 4.814 19.956 1.708 1.00 5.41 H new ATOM 0 HG LEU A 40 3.948 17.162 2.576 1.00 3.12 H new ATOM 0 HD11 LEU A 40 6.373 16.631 2.634 1.00 11.33 H new ATOM 0 HD12 LEU A 40 5.816 17.074 1.003 1.00 11.33 H new ATOM 0 HD13 LEU A 40 6.730 18.247 1.980 1.00 11.33 H new ATOM 0 HD21 LEU A 40 5.259 17.541 4.657 1.00 73.33 H new ATOM 0 HD22 LEU A 40 5.524 19.232 4.167 1.00 73.33 H new ATOM 0 HD23 LEU A 40 3.877 18.654 4.517 1.00 73.33 H new ATOM 624 N ARG A 41 1.403 20.481 0.340 1.00 24.00 N ATOM 625 CA ARG A 41 0.734 21.450 -0.555 1.00 52.44 C ATOM 626 C ARG A 41 -0.387 22.191 0.203 1.00 51.04 C ATOM 627 O ARG A 41 -0.629 23.365 -0.047 1.00 14.24 O ATOM 628 CB ARG A 41 0.152 20.746 -1.807 1.00 23.11 C ATOM 629 CG ARG A 41 -0.324 21.701 -2.914 1.00 21.42 C ATOM 630 CD ARG A 41 -1.000 20.970 -4.089 1.00 2.04 C ATOM 631 NE ARG A 41 -2.233 20.274 -3.666 1.00 14.11 N ATOM 632 CZ ARG A 41 -3.443 20.487 -4.145 1.00 71.13 C ATOM 633 NH1 ARG A 41 -3.663 21.402 -5.032 1.00 24.12 N ATOM 634 NH2 ARG A 41 -4.431 19.783 -3.710 1.00 21.15 N ATOM 0 H ARG A 41 1.191 19.506 0.128 1.00 24.00 H new ATOM 0 HA ARG A 41 1.480 22.172 -0.886 1.00 52.44 H new ATOM 0 HB2 ARG A 41 0.911 20.082 -2.220 1.00 23.11 H new ATOM 0 HB3 ARG A 41 -0.686 20.121 -1.499 1.00 23.11 H new ATOM 0 HG2 ARG A 41 -1.024 22.420 -2.489 1.00 21.42 H new ATOM 0 HG3 ARG A 41 0.528 22.268 -3.288 1.00 21.42 H new ATOM 0 HD2 ARG A 41 -1.239 21.687 -4.874 1.00 2.04 H new ATOM 0 HD3 ARG A 41 -0.304 20.249 -4.517 1.00 2.04 H new ATOM 0 HE ARG A 41 -2.140 19.565 -2.938 1.00 14.11 H new ATOM 0 HH11 ARG A 41 -2.893 21.976 -5.375 1.00 24.12 H new ATOM 0 HH12 ARG A 41 -4.607 21.550 -5.389 1.00 24.12 H new ATOM 0 HH21 ARG A 41 -4.274 19.067 -3.000 1.00 21.15 H new ATOM 0 HH22 ARG A 41 -5.370 19.942 -4.075 1.00 21.15 H new ATOM 648 N ASN A 42 -1.071 21.474 1.123 1.00 41.21 N ATOM 649 CA ASN A 42 -2.056 22.077 2.057 1.00 71.11 C ATOM 650 C ASN A 42 -1.387 23.133 2.975 1.00 12.51 C ATOM 651 O ASN A 42 -1.960 24.194 3.235 1.00 65.51 O ATOM 652 CB ASN A 42 -2.740 20.980 2.907 1.00 55.20 C ATOM 653 CG ASN A 42 -3.782 21.524 3.894 1.00 11.32 C ATOM 654 OD1 ASN A 42 -3.484 21.790 5.053 1.00 4.34 O ATOM 655 ND2 ASN A 42 -4.996 21.730 3.433 1.00 50.14 N ATOM 0 H ASN A 42 -0.959 20.467 1.241 1.00 41.21 H new ATOM 0 HA ASN A 42 -2.815 22.582 1.460 1.00 71.11 H new ATOM 0 HB2 ASN A 42 -3.222 20.265 2.241 1.00 55.20 H new ATOM 0 HB3 ASN A 42 -1.977 20.434 3.462 1.00 55.20 H new ATOM 0 HD21 ASN A 42 -5.714 22.119 4.044 1.00 50.14 H new ATOM 0 HD22 ASN A 42 -5.220 21.501 2.465 1.00 50.14 H new ATOM 662 N LEU A 43 -0.162 22.833 3.434 1.00 10.13 N ATOM 663 CA LEU A 43 0.624 23.757 4.281 1.00 14.35 C ATOM 664 C LEU A 43 1.091 24.980 3.478 1.00 51.12 C ATOM 665 O LEU A 43 1.166 26.077 4.013 1.00 45.54 O ATOM 666 CB LEU A 43 1.850 23.030 4.892 1.00 45.11 C ATOM 667 CG LEU A 43 1.537 21.914 5.941 1.00 11.41 C ATOM 668 CD1 LEU A 43 2.834 21.237 6.441 1.00 52.00 C ATOM 669 CD2 LEU A 43 0.697 22.469 7.121 1.00 12.13 C ATOM 0 H LEU A 43 0.312 21.952 3.233 1.00 10.13 H new ATOM 0 HA LEU A 43 -0.024 24.099 5.088 1.00 14.35 H new ATOM 0 HB2 LEU A 43 2.425 22.585 4.080 1.00 45.11 H new ATOM 0 HB3 LEU A 43 2.490 23.775 5.365 1.00 45.11 H new ATOM 0 HG LEU A 43 0.938 21.151 5.444 1.00 11.41 H new ATOM 0 HD11 LEU A 43 2.584 20.465 7.169 1.00 52.00 H new ATOM 0 HD12 LEU A 43 3.357 20.785 5.598 1.00 52.00 H new ATOM 0 HD13 LEU A 43 3.477 21.983 6.909 1.00 52.00 H new ATOM 0 HD21 LEU A 43 0.496 21.668 7.833 1.00 12.13 H new ATOM 0 HD22 LEU A 43 1.250 23.266 7.618 1.00 12.13 H new ATOM 0 HD23 LEU A 43 -0.246 22.863 6.743 1.00 12.13 H new ATOM 681 N LYS A 44 1.387 24.765 2.187 1.00 74.43 N ATOM 682 CA LYS A 44 1.918 25.807 1.287 1.00 31.41 C ATOM 683 C LYS A 44 0.786 26.720 0.758 1.00 42.32 C ATOM 684 O LYS A 44 0.976 27.924 0.603 1.00 72.22 O ATOM 685 CB LYS A 44 2.680 25.130 0.118 1.00 55.42 C ATOM 686 CG LYS A 44 3.370 26.091 -0.882 1.00 14.33 C ATOM 687 CD LYS A 44 4.385 27.044 -0.204 1.00 13.12 C ATOM 688 CE LYS A 44 5.081 27.986 -1.205 1.00 14.30 C ATOM 689 NZ LYS A 44 5.979 28.960 -0.523 1.00 24.43 N ATOM 0 H LYS A 44 1.265 23.860 1.733 1.00 74.43 H new ATOM 0 HA LYS A 44 2.607 26.441 1.845 1.00 31.41 H new ATOM 0 HB2 LYS A 44 3.437 24.468 0.538 1.00 55.42 H new ATOM 0 HB3 LYS A 44 1.979 24.504 -0.434 1.00 55.42 H new ATOM 0 HG2 LYS A 44 3.883 25.505 -1.645 1.00 14.33 H new ATOM 0 HG3 LYS A 44 2.610 26.682 -1.392 1.00 14.33 H new ATOM 0 HD2 LYS A 44 3.870 27.639 0.550 1.00 13.12 H new ATOM 0 HD3 LYS A 44 5.139 26.454 0.317 1.00 13.12 H new ATOM 0 HE2 LYS A 44 5.659 27.396 -1.916 1.00 14.30 H new ATOM 0 HE3 LYS A 44 4.328 28.527 -1.778 1.00 14.30 H new ATOM 0 HZ1 LYS A 44 6.668 29.335 -1.206 1.00 24.43 H new ATOM 0 HZ2 LYS A 44 5.413 29.743 -0.137 1.00 24.43 H new ATOM 0 HZ3 LYS A 44 6.484 28.483 0.251 1.00 24.43 H new ATOM 703 N THR A 45 -0.398 26.132 0.519 1.00 62.04 N ATOM 704 CA THR A 45 -1.565 26.862 -0.029 1.00 10.01 C ATOM 705 C THR A 45 -2.193 27.765 1.056 1.00 53.33 C ATOM 706 O THR A 45 -2.604 28.904 0.786 1.00 42.11 O ATOM 707 CB THR A 45 -2.629 25.873 -0.646 1.00 11.45 C ATOM 708 OG1 THR A 45 -3.491 26.566 -1.569 1.00 51.23 O ATOM 709 CG2 THR A 45 -3.511 25.155 0.397 1.00 12.43 C ATOM 0 H THR A 45 -0.578 25.144 0.697 1.00 62.04 H new ATOM 0 HA THR A 45 -1.216 27.500 -0.841 1.00 10.01 H new ATOM 0 HB THR A 45 -2.039 25.109 -1.153 1.00 11.45 H new ATOM 0 HG1 THR A 45 -4.143 25.937 -1.943 1.00 51.23 H new ATOM 0 HG21 THR A 45 -4.213 24.495 -0.113 1.00 12.43 H new ATOM 0 HG22 THR A 45 -2.880 24.567 1.064 1.00 12.43 H new ATOM 0 HG23 THR A 45 -4.063 25.894 0.977 1.00 12.43 H new ATOM 717 N ALA A 46 -2.225 27.236 2.294 1.00 24.41 N ATOM 718 CA ALA A 46 -2.664 27.976 3.496 1.00 1.54 C ATOM 719 C ALA A 46 -1.624 29.039 3.908 1.00 61.42 C ATOM 720 O ALA A 46 -1.991 30.135 4.371 1.00 15.14 O ATOM 721 CB ALA A 46 -2.930 26.994 4.644 1.00 21.31 C ATOM 0 H ALA A 46 -1.945 26.275 2.491 1.00 24.41 H new ATOM 0 HA ALA A 46 -3.590 28.501 3.261 1.00 1.54 H new ATOM 0 HB1 ALA A 46 -3.253 27.545 5.527 1.00 21.31 H new ATOM 0 HB2 ALA A 46 -3.710 26.292 4.349 1.00 21.31 H new ATOM 0 HB3 ALA A 46 -2.016 26.446 4.873 1.00 21.31 H new ATOM 727 N LEU A 47 -0.323 28.695 3.715 1.00 15.45 N ATOM 728 CA LEU A 47 0.803 29.619 3.951 1.00 3.25 C ATOM 729 C LEU A 47 0.654 30.884 3.098 1.00 2.10 C ATOM 730 O LEU A 47 0.456 31.949 3.644 1.00 64.15 O ATOM 731 CB LEU A 47 2.164 28.941 3.637 1.00 2.11 C ATOM 732 CG LEU A 47 3.443 29.827 3.784 1.00 31.14 C ATOM 733 CD1 LEU A 47 3.641 30.308 5.240 1.00 64.02 C ATOM 734 CD2 LEU A 47 4.689 29.079 3.259 1.00 73.52 C ATOM 0 H LEU A 47 -0.033 27.772 3.393 1.00 15.45 H new ATOM 0 HA LEU A 47 0.784 29.892 5.006 1.00 3.25 H new ATOM 0 HB2 LEU A 47 2.272 28.077 4.292 1.00 2.11 H new ATOM 0 HB3 LEU A 47 2.128 28.564 2.615 1.00 2.11 H new ATOM 0 HG LEU A 47 3.303 30.718 3.172 1.00 31.14 H new ATOM 0 HD11 LEU A 47 4.540 30.921 5.302 1.00 64.02 H new ATOM 0 HD12 LEU A 47 2.778 30.898 5.549 1.00 64.02 H new ATOM 0 HD13 LEU A 47 3.745 29.445 5.897 1.00 64.02 H new ATOM 0 HD21 LEU A 47 5.568 29.714 3.371 1.00 73.52 H new ATOM 0 HD22 LEU A 47 4.829 28.161 3.829 1.00 73.52 H new ATOM 0 HD23 LEU A 47 4.550 28.834 2.206 1.00 73.52 H new ATOM 746 N GLU A 48 0.672 30.725 1.752 1.00 52.35 N ATOM 747 CA GLU A 48 0.681 31.859 0.787 1.00 43.54 C ATOM 748 C GLU A 48 -0.554 32.768 0.931 1.00 44.21 C ATOM 749 O GLU A 48 -0.468 33.985 0.728 1.00 71.34 O ATOM 750 CB GLU A 48 0.781 31.325 -0.666 1.00 3.42 C ATOM 751 CG GLU A 48 2.065 30.523 -0.962 1.00 14.52 C ATOM 752 CD GLU A 48 3.358 31.296 -0.628 1.00 11.51 C ATOM 753 OE1 GLU A 48 3.723 32.214 -1.388 1.00 24.24 O ATOM 754 OE2 GLU A 48 4.021 30.978 0.383 1.00 2.22 O ATOM 0 H GLU A 48 0.681 29.809 1.302 1.00 52.35 H new ATOM 0 HA GLU A 48 1.557 32.466 1.017 1.00 43.54 H new ATOM 0 HB2 GLU A 48 -0.083 30.692 -0.868 1.00 3.42 H new ATOM 0 HB3 GLU A 48 0.727 32.168 -1.355 1.00 3.42 H new ATOM 0 HG2 GLU A 48 2.046 29.596 -0.389 1.00 14.52 H new ATOM 0 HG3 GLU A 48 2.077 30.246 -2.016 1.00 14.52 H new ATOM 761 N SER A 49 -1.685 32.149 1.300 1.00 30.44 N ATOM 762 CA SER A 49 -2.963 32.856 1.526 1.00 64.25 C ATOM 763 C SER A 49 -2.837 33.887 2.678 1.00 11.21 C ATOM 764 O SER A 49 -3.136 35.075 2.507 1.00 3.14 O ATOM 765 CB SER A 49 -4.086 31.827 1.824 1.00 70.14 C ATOM 766 OG SER A 49 -5.366 32.442 1.917 1.00 4.34 O ATOM 0 H SER A 49 -1.744 31.142 1.452 1.00 30.44 H new ATOM 0 HA SER A 49 -3.220 33.407 0.622 1.00 64.25 H new ATOM 0 HB2 SER A 49 -4.103 31.072 1.038 1.00 70.14 H new ATOM 0 HB3 SER A 49 -3.864 31.310 2.757 1.00 70.14 H new ATOM 0 HG SER A 49 -6.044 31.759 2.104 1.00 4.34 H new ATOM 772 N ALA A 50 -2.339 33.418 3.836 1.00 10.43 N ATOM 773 CA ALA A 50 -2.167 34.255 5.052 1.00 41.45 C ATOM 774 C ALA A 50 -0.907 35.158 4.973 1.00 1.31 C ATOM 775 O ALA A 50 -0.918 36.292 5.456 1.00 13.42 O ATOM 776 CB ALA A 50 -2.086 33.349 6.279 1.00 30.43 C ATOM 0 H ALA A 50 -2.043 32.450 3.962 1.00 10.43 H new ATOM 0 HA ALA A 50 -3.030 34.917 5.128 1.00 41.45 H new ATOM 0 HB1 ALA A 50 -1.960 33.959 7.174 1.00 30.43 H new ATOM 0 HB2 ALA A 50 -3.004 32.767 6.363 1.00 30.43 H new ATOM 0 HB3 ALA A 50 -1.236 32.674 6.177 1.00 30.43 H new ATOM 782 N PHE A 51 0.142 34.628 4.320 1.00 14.42 N ATOM 783 CA PHE A 51 1.480 35.265 4.184 1.00 51.03 C ATOM 784 C PHE A 51 1.382 36.554 3.357 1.00 2.05 C ATOM 785 O PHE A 51 2.094 37.521 3.611 1.00 61.00 O ATOM 786 CB PHE A 51 2.453 34.247 3.513 1.00 11.32 C ATOM 787 CG PHE A 51 3.884 34.721 3.242 1.00 15.33 C ATOM 788 CD1 PHE A 51 4.770 34.965 4.289 1.00 52.22 C ATOM 789 CD2 PHE A 51 4.350 34.891 1.932 1.00 54.22 C ATOM 790 CE1 PHE A 51 6.072 35.366 4.041 1.00 72.44 C ATOM 791 CE2 PHE A 51 5.648 35.294 1.687 1.00 3.14 C ATOM 792 CZ PHE A 51 6.510 35.532 2.741 1.00 51.40 C ATOM 0 H PHE A 51 0.090 33.721 3.857 1.00 14.42 H new ATOM 0 HA PHE A 51 1.861 35.535 5.169 1.00 51.03 H new ATOM 0 HB2 PHE A 51 2.505 33.361 4.146 1.00 11.32 H new ATOM 0 HB3 PHE A 51 2.015 33.936 2.565 1.00 11.32 H new ATOM 0 HD1 PHE A 51 4.437 34.840 5.309 1.00 52.22 H new ATOM 0 HD2 PHE A 51 3.685 34.704 1.102 1.00 54.22 H new ATOM 0 HE1 PHE A 51 6.746 35.549 4.865 1.00 72.44 H new ATOM 0 HE2 PHE A 51 5.990 35.423 0.671 1.00 3.14 H new ATOM 0 HZ PHE A 51 7.525 35.847 2.549 1.00 51.40 H new