USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 510 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 MET CE :methyl -154:sc= -0.195 (180deg=-1.46!) USER MOD Single : A 1 MET N :NH3+ -122:sc= 0.0725 (180deg=-0.189) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -1.45! C(o=-1.5!,f=-12!) USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 11 HIS : no HE2:sc= 0.0505 X(o=0.05,f=-0.44) USER MOD Single : A 18 ASN : amide:sc= -0.0702 X(o=-0.07,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 128:sc= 1.08 (180deg=-0.589) USER MOD Single : A 28 ASN : amide:sc= -1.49 K(o=-1.5,f=-0.54) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 145:sc= -6.74! (180deg=-8.19!) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 ASN : amide:sc= -0.0537 K(o=-0.054,f=-1.9!) USER MOD Single : A 46 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 48 LYS NZ :NH3+ 167:sc= -0.019 (180deg=-0.286) USER MOD Single : A 49 THR OG1 : rot 180:sc= -1 USER MOD Single : A 54 LYS NZ :NH3+ 153:sc= -0.221 (180deg=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 34.835 -6.398 -23.870 1.00 21.30 N ATOM 2 CA MET A 1 33.547 -7.050 -23.500 1.00 21.02 C ATOM 3 C MET A 1 32.442 -5.994 -23.436 1.00 20.37 C ATOM 4 O MET A 1 32.704 -4.816 -23.292 1.00 20.39 O ATOM 5 CB MET A 1 33.683 -7.713 -22.127 1.00 21.44 C ATOM 6 CG MET A 1 34.605 -8.931 -22.232 1.00 21.88 C ATOM 7 SD MET A 1 34.742 -9.729 -20.610 1.00 22.37 S ATOM 8 CE MET A 1 35.541 -8.360 -19.737 1.00 22.77 C ATOM 0 H1 MET A 1 35.207 -6.833 -24.738 1.00 21.30 H new ATOM 0 H2 MET A 1 34.676 -5.383 -24.031 1.00 21.30 H new ATOM 0 H3 MET A 1 35.521 -6.523 -23.099 1.00 21.30 H new ATOM 0 HA MET A 1 33.297 -7.802 -24.248 1.00 21.02 H new ATOM 0 HB2 MET A 1 34.086 -7.001 -21.407 1.00 21.44 H new ATOM 0 HB3 MET A 1 32.703 -8.017 -21.760 1.00 21.44 H new ATOM 0 HG2 MET A 1 34.211 -9.636 -22.964 1.00 21.88 H new ATOM 0 HG3 MET A 1 35.591 -8.625 -22.583 1.00 21.88 H new ATOM 0 HE1 MET A 1 36.122 -8.751 -18.902 1.00 22.77 H new ATOM 0 HE2 MET A 1 36.202 -7.828 -20.421 1.00 22.77 H new ATOM 0 HE3 MET A 1 34.781 -7.675 -19.361 1.00 22.77 H new ATOM 20 N LYS A 2 31.205 -6.408 -23.531 1.00 19.90 N ATOM 21 CA LYS A 2 30.076 -5.430 -23.462 1.00 19.38 C ATOM 22 C LYS A 2 29.628 -5.288 -22.002 1.00 18.83 C ATOM 23 O LYS A 2 28.714 -4.551 -21.692 1.00 18.89 O ATOM 24 CB LYS A 2 28.901 -5.914 -24.336 1.00 19.49 C ATOM 25 CG LYS A 2 28.835 -7.447 -24.350 1.00 19.58 C ATOM 26 CD LYS A 2 28.659 -7.977 -22.923 1.00 19.81 C ATOM 27 CE LYS A 2 28.215 -9.441 -22.974 1.00 19.99 C ATOM 28 NZ LYS A 2 28.111 -9.981 -21.588 1.00 20.19 N ATOM 0 H LYS A 2 30.927 -7.382 -23.653 1.00 19.90 H new ATOM 0 HA LYS A 2 30.407 -4.462 -23.837 1.00 19.38 H new ATOM 0 HB2 LYS A 2 27.965 -5.508 -23.954 1.00 19.49 H new ATOM 0 HB3 LYS A 2 29.019 -5.540 -25.353 1.00 19.49 H new ATOM 0 HG2 LYS A 2 28.005 -7.778 -24.975 1.00 19.58 H new ATOM 0 HG3 LYS A 2 29.746 -7.854 -24.788 1.00 19.58 H new ATOM 0 HD2 LYS A 2 29.596 -7.889 -22.373 1.00 19.81 H new ATOM 0 HD3 LYS A 2 27.919 -7.380 -22.390 1.00 19.81 H new ATOM 0 HE2 LYS A 2 27.253 -9.522 -23.480 1.00 19.99 H new ATOM 0 HE3 LYS A 2 28.929 -10.028 -23.551 1.00 19.99 H new ATOM 0 HZ1 LYS A 2 27.809 -10.976 -21.625 1.00 20.19 H new ATOM 0 HZ2 LYS A 2 29.038 -9.917 -21.120 1.00 20.19 H new ATOM 0 HZ3 LYS A 2 27.413 -9.427 -21.051 1.00 20.19 H new ATOM 42 N ALA A 3 30.268 -5.995 -21.106 1.00 18.43 N ATOM 43 CA ALA A 3 29.886 -5.916 -19.662 1.00 18.03 C ATOM 44 C ALA A 3 30.758 -4.873 -18.954 1.00 17.59 C ATOM 45 O ALA A 3 31.967 -4.867 -19.083 1.00 17.73 O ATOM 46 CB ALA A 3 30.099 -7.286 -19.011 1.00 18.23 C ATOM 0 H ALA A 3 31.042 -6.626 -21.312 1.00 18.43 H new ATOM 0 HA ALA A 3 28.839 -5.626 -19.577 1.00 18.03 H new ATOM 0 HB1 ALA A 3 29.822 -7.235 -17.958 1.00 18.23 H new ATOM 0 HB2 ALA A 3 29.479 -8.028 -19.514 1.00 18.23 H new ATOM 0 HB3 ALA A 3 31.148 -7.571 -19.097 1.00 18.23 H new ATOM 52 N ILE A 4 30.148 -3.990 -18.203 1.00 17.22 N ATOM 53 CA ILE A 4 30.921 -2.936 -17.473 1.00 16.95 C ATOM 54 C ILE A 4 30.338 -2.776 -16.066 1.00 16.44 C ATOM 55 O ILE A 4 29.315 -3.345 -15.745 1.00 16.48 O ATOM 56 CB ILE A 4 30.821 -1.608 -18.233 1.00 17.23 C ATOM 57 CG1 ILE A 4 29.355 -1.171 -18.340 1.00 17.55 C ATOM 58 CG2 ILE A 4 31.397 -1.777 -19.638 1.00 17.35 C ATOM 59 CD1 ILE A 4 29.273 0.152 -19.107 1.00 17.72 C ATOM 0 H ILE A 4 29.138 -3.953 -18.063 1.00 17.22 H new ATOM 0 HA ILE A 4 31.969 -3.226 -17.403 1.00 16.95 H new ATOM 0 HB ILE A 4 31.385 -0.849 -17.691 1.00 17.23 H new ATOM 0 HG12 ILE A 4 28.772 -1.937 -18.851 1.00 17.55 H new ATOM 0 HG13 ILE A 4 28.925 -1.054 -17.345 1.00 17.55 H new ATOM 0 HG21 ILE A 4 31.325 -0.832 -20.177 1.00 17.35 H new ATOM 0 HG22 ILE A 4 32.443 -2.077 -19.569 1.00 17.35 H new ATOM 0 HG23 ILE A 4 30.835 -2.543 -20.172 1.00 17.35 H new ATOM 0 HD11 ILE A 4 28.231 0.464 -19.184 1.00 17.72 H new ATOM 0 HD12 ILE A 4 29.842 0.916 -18.577 1.00 17.72 H new ATOM 0 HD13 ILE A 4 29.687 0.019 -20.107 1.00 17.72 H new ATOM 71 N PHE A 5 30.975 -2.010 -15.220 1.00 16.11 N ATOM 72 CA PHE A 5 30.441 -1.831 -13.839 1.00 15.78 C ATOM 73 C PHE A 5 28.958 -1.466 -13.923 1.00 15.39 C ATOM 74 O PHE A 5 28.549 -0.681 -14.756 1.00 15.53 O ATOM 75 CB PHE A 5 31.208 -0.706 -13.138 1.00 15.91 C ATOM 76 CG PHE A 5 30.741 -0.583 -11.706 1.00 16.27 C ATOM 77 CD1 PHE A 5 31.353 -1.349 -10.707 1.00 16.55 C ATOM 78 CD2 PHE A 5 29.705 0.300 -11.375 1.00 16.49 C ATOM 79 CE1 PHE A 5 30.928 -1.234 -9.377 1.00 17.03 C ATOM 80 CE2 PHE A 5 29.281 0.415 -10.044 1.00 16.98 C ATOM 81 CZ PHE A 5 29.893 -0.352 -9.046 1.00 17.24 C ATOM 0 H PHE A 5 31.837 -1.504 -15.424 1.00 16.11 H new ATOM 0 HA PHE A 5 30.561 -2.755 -13.273 1.00 15.78 H new ATOM 0 HB2 PHE A 5 32.278 -0.911 -13.165 1.00 15.91 H new ATOM 0 HB3 PHE A 5 31.051 0.236 -13.664 1.00 15.91 H new ATOM 0 HD1 PHE A 5 32.153 -2.029 -10.961 1.00 16.55 H new ATOM 0 HD2 PHE A 5 29.233 0.892 -12.145 1.00 16.49 H new ATOM 0 HE1 PHE A 5 31.399 -1.826 -8.607 1.00 17.03 H new ATOM 0 HE2 PHE A 5 28.482 1.095 -9.789 1.00 16.98 H new ATOM 0 HZ PHE A 5 29.567 -0.263 -8.020 1.00 17.24 H new ATOM 91 N VAL A 6 28.147 -2.042 -13.077 1.00 15.04 N ATOM 92 CA VAL A 6 26.689 -1.741 -13.125 1.00 14.79 C ATOM 93 C VAL A 6 26.420 -0.343 -12.558 1.00 14.55 C ATOM 94 O VAL A 6 26.934 0.031 -11.523 1.00 14.58 O ATOM 95 CB VAL A 6 25.920 -2.781 -12.299 1.00 14.86 C ATOM 96 CG1 VAL A 6 26.195 -4.182 -12.849 1.00 15.09 C ATOM 97 CG2 VAL A 6 26.366 -2.715 -10.836 1.00 15.03 C ATOM 0 H VAL A 6 28.431 -2.706 -12.357 1.00 15.04 H new ATOM 0 HA VAL A 6 26.356 -1.777 -14.162 1.00 14.79 H new ATOM 0 HB VAL A 6 24.853 -2.567 -12.363 1.00 14.86 H new ATOM 0 HG11 VAL A 6 25.647 -4.918 -12.260 1.00 15.09 H new ATOM 0 HG12 VAL A 6 25.871 -4.235 -13.888 1.00 15.09 H new ATOM 0 HG13 VAL A 6 27.263 -4.393 -12.791 1.00 15.09 H new ATOM 0 HG21 VAL A 6 25.817 -3.455 -10.254 1.00 15.03 H new ATOM 0 HG22 VAL A 6 27.434 -2.922 -10.772 1.00 15.03 H new ATOM 0 HG23 VAL A 6 26.165 -1.720 -10.439 1.00 15.03 H new ATOM 107 N LEU A 7 25.604 0.426 -13.230 1.00 14.47 N ATOM 108 CA LEU A 7 25.279 1.795 -12.737 1.00 14.40 C ATOM 109 C LEU A 7 24.103 2.355 -13.538 1.00 13.90 C ATOM 110 O LEU A 7 23.518 3.359 -13.184 1.00 13.91 O ATOM 111 CB LEU A 7 26.500 2.715 -12.881 1.00 14.97 C ATOM 112 CG LEU A 7 26.982 2.760 -14.347 1.00 15.35 C ATOM 113 CD1 LEU A 7 26.047 3.632 -15.225 1.00 15.68 C ATOM 114 CD2 LEU A 7 28.409 3.329 -14.378 1.00 15.83 C ATOM 0 H LEU A 7 25.147 0.162 -14.103 1.00 14.47 H new ATOM 0 HA LEU A 7 25.008 1.743 -11.683 1.00 14.40 H new ATOM 0 HB2 LEU A 7 26.245 3.720 -12.546 1.00 14.97 H new ATOM 0 HB3 LEU A 7 27.306 2.360 -12.239 1.00 14.97 H new ATOM 0 HG LEU A 7 26.967 1.749 -14.754 1.00 15.35 H new ATOM 0 HD11 LEU A 7 26.416 3.642 -16.251 1.00 15.68 H new ATOM 0 HD12 LEU A 7 25.039 3.218 -15.206 1.00 15.68 H new ATOM 0 HD13 LEU A 7 26.028 4.650 -14.836 1.00 15.68 H new ATOM 0 HD21 LEU A 7 28.763 3.367 -15.408 1.00 15.83 H new ATOM 0 HD22 LEU A 7 28.409 4.334 -13.957 1.00 15.83 H new ATOM 0 HD23 LEU A 7 29.068 2.690 -13.791 1.00 15.83 H new ATOM 126 N ASN A 8 23.758 1.711 -14.618 1.00 13.63 N ATOM 127 CA ASN A 8 22.623 2.197 -15.453 1.00 13.29 C ATOM 128 C ASN A 8 21.293 1.976 -14.721 1.00 12.82 C ATOM 129 O ASN A 8 20.399 2.797 -14.781 1.00 12.84 O ATOM 130 CB ASN A 8 22.612 1.432 -16.777 1.00 13.45 C ATOM 131 CG ASN A 8 22.425 -0.060 -16.500 1.00 13.72 C ATOM 132 OD1 ASN A 8 22.671 -0.520 -15.402 1.00 13.79 O ATOM 133 ND2 ASN A 8 22.001 -0.842 -17.453 1.00 14.06 N ATOM 0 H ASN A 8 24.215 0.866 -14.960 1.00 13.63 H new ATOM 0 HA ASN A 8 22.747 3.263 -15.641 1.00 13.29 H new ATOM 0 HB2 ASN A 8 21.807 1.798 -17.415 1.00 13.45 H new ATOM 0 HB3 ASN A 8 23.546 1.599 -17.314 1.00 13.45 H new ATOM 0 HD21 ASN A 8 21.876 -1.839 -17.277 1.00 14.06 H new ATOM 0 HD22 ASN A 8 21.794 -0.457 -18.375 1.00 14.06 H new ATOM 140 N ALA A 9 21.149 0.863 -14.047 1.00 12.57 N ATOM 141 CA ALA A 9 19.870 0.571 -13.325 1.00 12.28 C ATOM 142 C ALA A 9 19.945 1.071 -11.879 1.00 11.84 C ATOM 143 O ALA A 9 21.003 1.147 -11.287 1.00 12.04 O ATOM 144 CB ALA A 9 19.626 -0.938 -13.324 1.00 12.50 C ATOM 0 H ALA A 9 21.864 0.140 -13.965 1.00 12.57 H new ATOM 0 HA ALA A 9 19.053 1.083 -13.833 1.00 12.28 H new ATOM 0 HB1 ALA A 9 18.696 -1.156 -12.799 1.00 12.50 H new ATOM 0 HB2 ALA A 9 19.556 -1.296 -14.351 1.00 12.50 H new ATOM 0 HB3 ALA A 9 20.452 -1.440 -12.821 1.00 12.50 H new ATOM 150 N GLN A 10 18.819 1.410 -11.310 1.00 11.42 N ATOM 151 CA GLN A 10 18.800 1.905 -9.904 1.00 11.16 C ATOM 152 C GLN A 10 18.846 0.719 -8.933 1.00 10.55 C ATOM 153 O GLN A 10 18.635 -0.416 -9.314 1.00 10.61 O ATOM 154 CB GLN A 10 17.525 2.715 -9.669 1.00 11.48 C ATOM 155 CG GLN A 10 17.601 4.024 -10.458 1.00 11.97 C ATOM 156 CD GLN A 10 16.320 4.829 -10.236 1.00 12.47 C ATOM 157 OE1 GLN A 10 15.244 4.270 -10.168 1.00 12.70 O ATOM 158 NE2 GLN A 10 16.390 6.127 -10.120 1.00 12.83 N ATOM 0 H GLN A 10 17.906 1.365 -11.762 1.00 11.42 H new ATOM 0 HA GLN A 10 19.670 2.538 -9.732 1.00 11.16 H new ATOM 0 HB2 GLN A 10 16.653 2.140 -9.981 1.00 11.48 H new ATOM 0 HB3 GLN A 10 17.405 2.925 -8.606 1.00 11.48 H new ATOM 0 HG2 GLN A 10 18.467 4.604 -10.139 1.00 11.97 H new ATOM 0 HG3 GLN A 10 17.732 3.814 -11.520 1.00 11.97 H new ATOM 0 HE21 GLN A 10 17.294 6.596 -10.177 1.00 12.83 H new ATOM 0 HE22 GLN A 10 15.541 6.672 -9.972 1.00 12.83 H new ATOM 167 N HIS A 11 19.130 0.979 -7.682 1.00 10.17 N ATOM 168 CA HIS A 11 19.208 -0.117 -6.667 1.00 9.77 C ATOM 169 C HIS A 11 18.065 -1.119 -6.870 1.00 9.16 C ATOM 170 O HIS A 11 16.987 -0.970 -6.326 1.00 9.25 O ATOM 171 CB HIS A 11 19.099 0.492 -5.267 1.00 10.00 C ATOM 172 CG HIS A 11 20.313 1.339 -4.992 1.00 10.27 C ATOM 173 ND1 HIS A 11 21.573 0.790 -4.814 1.00 10.64 N ATOM 174 CD2 HIS A 11 20.473 2.696 -4.858 1.00 10.49 C ATOM 175 CE1 HIS A 11 22.427 1.802 -4.584 1.00 11.05 C ATOM 176 NE2 HIS A 11 21.810 2.986 -4.600 1.00 10.99 N ATOM 0 H HIS A 11 19.313 1.913 -7.316 1.00 10.17 H new ATOM 0 HA HIS A 11 20.158 -0.639 -6.780 1.00 9.77 H new ATOM 0 HB2 HIS A 11 18.196 1.097 -5.191 1.00 10.00 H new ATOM 0 HB3 HIS A 11 19.017 -0.298 -4.521 1.00 10.00 H new ATOM 0 HD1 HIS A 11 21.809 -0.202 -4.851 1.00 10.64 H new ATOM 0 HD2 HIS A 11 19.682 3.427 -4.940 1.00 10.49 H new ATOM 0 HE1 HIS A 11 23.485 1.673 -4.408 1.00 11.05 H new ATOM 184 N ASP A 12 18.302 -2.141 -7.645 1.00 8.78 N ATOM 185 CA ASP A 12 17.246 -3.165 -7.890 1.00 8.41 C ATOM 186 C ASP A 12 16.864 -3.841 -6.572 1.00 7.70 C ATOM 187 O ASP A 12 15.708 -4.122 -6.320 1.00 7.84 O ATOM 188 CB ASP A 12 17.776 -4.219 -8.864 1.00 8.97 C ATOM 189 CG ASP A 12 17.918 -3.601 -10.255 1.00 9.57 C ATOM 190 OD1 ASP A 12 17.282 -2.589 -10.499 1.00 9.72 O ATOM 191 OD2 ASP A 12 18.663 -4.148 -11.052 1.00 10.08 O ATOM 0 H ASP A 12 19.187 -2.312 -8.122 1.00 8.78 H new ATOM 0 HA ASP A 12 16.367 -2.680 -8.315 1.00 8.41 H new ATOM 0 HB2 ASP A 12 18.740 -4.595 -8.521 1.00 8.97 H new ATOM 0 HB3 ASP A 12 17.097 -5.071 -8.900 1.00 8.97 H new ATOM 196 N GLU A 13 17.825 -4.117 -5.734 1.00 7.20 N ATOM 197 CA GLU A 13 17.511 -4.790 -4.442 1.00 6.75 C ATOM 198 C GLU A 13 16.515 -3.950 -3.638 1.00 5.96 C ATOM 199 O GLU A 13 15.849 -4.451 -2.753 1.00 6.13 O ATOM 200 CB GLU A 13 18.799 -4.995 -3.632 1.00 7.22 C ATOM 201 CG GLU A 13 19.525 -3.659 -3.424 1.00 7.84 C ATOM 202 CD GLU A 13 20.260 -3.257 -4.706 1.00 8.59 C ATOM 203 OE1 GLU A 13 20.451 -4.113 -5.554 1.00 8.85 O ATOM 204 OE2 GLU A 13 20.623 -2.098 -4.817 1.00 9.12 O ATOM 0 H GLU A 13 18.811 -3.906 -5.887 1.00 7.20 H new ATOM 0 HA GLU A 13 17.064 -5.762 -4.650 1.00 6.75 H new ATOM 0 HB2 GLU A 13 18.560 -5.440 -2.666 1.00 7.22 H new ATOM 0 HB3 GLU A 13 19.454 -5.694 -4.152 1.00 7.22 H new ATOM 0 HG2 GLU A 13 18.808 -2.885 -3.148 1.00 7.84 H new ATOM 0 HG3 GLU A 13 20.234 -3.745 -2.600 1.00 7.84 H new ATOM 211 N ALA A 14 16.396 -2.684 -3.932 1.00 5.44 N ATOM 212 CA ALA A 14 15.429 -1.842 -3.170 1.00 4.96 C ATOM 213 C ALA A 14 14.047 -2.503 -3.225 1.00 4.30 C ATOM 214 O ALA A 14 13.541 -2.812 -4.285 1.00 4.43 O ATOM 215 CB ALA A 14 15.356 -0.446 -3.792 1.00 5.39 C ATOM 0 H ALA A 14 16.921 -2.199 -4.660 1.00 5.44 H new ATOM 0 HA ALA A 14 15.756 -1.751 -2.134 1.00 4.96 H new ATOM 0 HB1 ALA A 14 14.648 0.165 -3.232 1.00 5.39 H new ATOM 0 HB2 ALA A 14 16.342 0.019 -3.760 1.00 5.39 H new ATOM 0 HB3 ALA A 14 15.026 -0.526 -4.828 1.00 5.39 H new ATOM 221 N VAL A 15 13.440 -2.733 -2.092 1.00 4.01 N ATOM 222 CA VAL A 15 12.100 -3.390 -2.080 1.00 3.71 C ATOM 223 C VAL A 15 11.089 -2.537 -2.855 1.00 3.13 C ATOM 224 O VAL A 15 10.377 -3.025 -3.710 1.00 3.40 O ATOM 225 CB VAL A 15 11.626 -3.536 -0.633 1.00 4.37 C ATOM 226 CG1 VAL A 15 10.195 -4.081 -0.610 1.00 5.04 C ATOM 227 CG2 VAL A 15 12.553 -4.493 0.120 1.00 4.89 C ATOM 0 H VAL A 15 13.814 -2.494 -1.173 1.00 4.01 H new ATOM 0 HA VAL A 15 12.178 -4.370 -2.550 1.00 3.71 H new ATOM 0 HB VAL A 15 11.647 -2.560 -0.149 1.00 4.37 H new ATOM 0 HG11 VAL A 15 9.861 -4.183 0.423 1.00 5.04 H new ATOM 0 HG12 VAL A 15 9.535 -3.393 -1.138 1.00 5.04 H new ATOM 0 HG13 VAL A 15 10.169 -5.055 -1.098 1.00 5.04 H new ATOM 0 HG21 VAL A 15 12.212 -4.594 1.150 1.00 4.89 H new ATOM 0 HG22 VAL A 15 12.539 -5.469 -0.364 1.00 4.89 H new ATOM 0 HG23 VAL A 15 13.569 -4.098 0.111 1.00 4.89 H new ATOM 237 N ASP A 16 11.017 -1.266 -2.558 1.00 2.67 N ATOM 238 CA ASP A 16 10.047 -0.382 -3.270 1.00 2.25 C ATOM 239 C ASP A 16 10.254 1.069 -2.829 1.00 2.00 C ATOM 240 O ASP A 16 11.246 1.406 -2.212 1.00 2.47 O ATOM 241 CB ASP A 16 8.616 -0.814 -2.933 1.00 2.31 C ATOM 242 CG ASP A 16 8.454 -0.908 -1.414 1.00 2.96 C ATOM 243 OD1 ASP A 16 9.458 -0.842 -0.726 1.00 3.45 O ATOM 244 OD2 ASP A 16 7.328 -1.050 -0.966 1.00 3.42 O ATOM 0 H ASP A 16 11.589 -0.801 -1.852 1.00 2.67 H new ATOM 0 HA ASP A 16 10.210 -0.463 -4.345 1.00 2.25 H new ATOM 0 HB2 ASP A 16 7.903 -0.098 -3.342 1.00 2.31 H new ATOM 0 HB3 ASP A 16 8.398 -1.778 -3.393 1.00 2.31 H new ATOM 249 N ALA A 17 9.323 1.931 -3.142 1.00 1.74 N ATOM 250 CA ALA A 17 9.460 3.361 -2.742 1.00 1.64 C ATOM 251 C ALA A 17 8.077 4.023 -2.728 1.00 1.34 C ATOM 252 O ALA A 17 7.261 3.757 -1.868 1.00 1.86 O ATOM 253 CB ALA A 17 10.367 4.084 -3.740 1.00 2.03 C ATOM 0 H ALA A 17 8.473 1.706 -3.658 1.00 1.74 H new ATOM 0 HA ALA A 17 9.898 3.421 -1.746 1.00 1.64 H new ATOM 0 HB1 ALA A 17 10.468 5.129 -3.449 1.00 2.03 H new ATOM 0 HB2 ALA A 17 11.350 3.613 -3.746 1.00 2.03 H new ATOM 0 HB3 ALA A 17 9.930 4.026 -4.737 1.00 2.03 H new ATOM 259 N ASN A 18 7.809 4.884 -3.670 1.00 0.95 N ATOM 260 CA ASN A 18 6.483 5.568 -3.711 1.00 0.77 C ATOM 261 C ASN A 18 5.384 4.570 -4.090 1.00 0.65 C ATOM 262 O ASN A 18 4.215 4.803 -3.854 1.00 1.18 O ATOM 263 CB ASN A 18 6.528 6.697 -4.744 1.00 0.93 C ATOM 264 CG ASN A 18 7.401 7.834 -4.212 1.00 1.47 C ATOM 265 OD1 ASN A 18 8.386 8.200 -4.823 1.00 2.24 O ATOM 266 ND2 ASN A 18 7.075 8.415 -3.090 1.00 1.85 N ATOM 0 H ASN A 18 8.453 5.145 -4.417 1.00 0.95 H new ATOM 0 HA ASN A 18 6.262 5.978 -2.725 1.00 0.77 H new ATOM 0 HB2 ASN A 18 6.929 6.326 -5.688 1.00 0.93 H new ATOM 0 HB3 ASN A 18 5.521 7.061 -4.946 1.00 0.93 H new ATOM 0 HD21 ASN A 18 7.647 9.177 -2.725 1.00 1.85 H new ATOM 0 HD22 ASN A 18 6.248 8.107 -2.578 1.00 1.85 H new ATOM 273 N SER A 19 5.747 3.466 -4.682 1.00 0.49 N ATOM 274 CA SER A 19 4.722 2.458 -5.083 1.00 0.33 C ATOM 275 C SER A 19 3.962 1.973 -3.845 1.00 0.29 C ATOM 276 O SER A 19 2.763 1.775 -3.879 1.00 0.28 O ATOM 277 CB SER A 19 5.423 1.267 -5.743 1.00 0.41 C ATOM 278 OG SER A 19 6.062 1.700 -6.937 1.00 0.80 O ATOM 0 H SER A 19 6.710 3.217 -4.906 1.00 0.49 H new ATOM 0 HA SER A 19 4.020 2.912 -5.783 1.00 0.33 H new ATOM 0 HB2 SER A 19 6.156 0.838 -5.060 1.00 0.41 H new ATOM 0 HB3 SER A 19 4.699 0.483 -5.968 1.00 0.41 H new ATOM 0 HG SER A 19 6.513 0.940 -7.361 1.00 0.80 H new ATOM 284 N LEU A 20 4.650 1.775 -2.757 1.00 0.31 N ATOM 285 CA LEU A 20 3.973 1.298 -1.517 1.00 0.32 C ATOM 286 C LEU A 20 2.917 2.329 -1.081 1.00 0.25 C ATOM 287 O LEU A 20 1.772 1.999 -0.853 1.00 0.23 O ATOM 288 CB LEU A 20 5.036 1.126 -0.418 1.00 0.41 C ATOM 289 CG LEU A 20 4.625 0.027 0.571 1.00 0.45 C ATOM 290 CD1 LEU A 20 5.695 -0.099 1.659 1.00 0.99 C ATOM 291 CD2 LEU A 20 3.275 0.382 1.210 1.00 1.09 C ATOM 0 H LEU A 20 5.656 1.923 -2.671 1.00 0.31 H new ATOM 0 HA LEU A 20 3.475 0.345 -1.697 1.00 0.32 H new ATOM 0 HB2 LEU A 20 5.995 0.874 -0.870 1.00 0.41 H new ATOM 0 HB3 LEU A 20 5.171 2.068 0.114 1.00 0.41 H new ATOM 0 HG LEU A 20 4.529 -0.921 0.042 1.00 0.45 H new ATOM 0 HD11 LEU A 20 5.407 -0.879 2.364 1.00 0.99 H new ATOM 0 HD12 LEU A 20 6.650 -0.358 1.202 1.00 0.99 H new ATOM 0 HD13 LEU A 20 5.791 0.850 2.187 1.00 0.99 H new ATOM 0 HD21 LEU A 20 2.987 -0.401 1.911 1.00 1.09 H new ATOM 0 HD22 LEU A 20 3.362 1.330 1.740 1.00 1.09 H new ATOM 0 HD23 LEU A 20 2.516 0.469 0.432 1.00 1.09 H new ATOM 303 N ALA A 21 3.301 3.576 -0.966 1.00 0.24 N ATOM 304 CA ALA A 21 2.329 4.625 -0.545 1.00 0.22 C ATOM 305 C ALA A 21 1.234 4.773 -1.606 1.00 0.18 C ATOM 306 O ALA A 21 0.069 4.928 -1.294 1.00 0.19 O ATOM 307 CB ALA A 21 3.062 5.963 -0.377 1.00 0.27 C ATOM 0 H ALA A 21 4.247 3.911 -1.146 1.00 0.24 H new ATOM 0 HA ALA A 21 1.875 4.335 0.403 1.00 0.22 H new ATOM 0 HB1 ALA A 21 2.352 6.731 -0.069 1.00 0.27 H new ATOM 0 HB2 ALA A 21 3.837 5.860 0.382 1.00 0.27 H new ATOM 0 HB3 ALA A 21 3.518 6.250 -1.325 1.00 0.27 H new ATOM 313 N GLU A 22 1.601 4.732 -2.855 1.00 0.18 N ATOM 314 CA GLU A 22 0.593 4.873 -3.942 1.00 0.19 C ATOM 315 C GLU A 22 -0.442 3.752 -3.843 1.00 0.18 C ATOM 316 O GLU A 22 -1.620 3.964 -4.054 1.00 0.21 O ATOM 317 CB GLU A 22 1.293 4.796 -5.298 1.00 0.24 C ATOM 318 CG GLU A 22 0.289 5.080 -6.415 1.00 0.50 C ATOM 319 CD GLU A 22 1.014 5.059 -7.763 1.00 0.68 C ATOM 320 OE1 GLU A 22 2.214 4.845 -7.762 1.00 1.27 O ATOM 321 OE2 GLU A 22 0.356 5.256 -8.771 1.00 1.15 O ATOM 0 H GLU A 22 2.562 4.606 -3.172 1.00 0.18 H new ATOM 0 HA GLU A 22 0.091 5.835 -3.840 1.00 0.19 H new ATOM 0 HB2 GLU A 22 2.109 5.517 -5.338 1.00 0.24 H new ATOM 0 HB3 GLU A 22 1.734 3.808 -5.435 1.00 0.24 H new ATOM 0 HG2 GLU A 22 -0.505 4.334 -6.404 1.00 0.50 H new ATOM 0 HG3 GLU A 22 -0.183 6.050 -6.258 1.00 0.50 H new ATOM 328 N ALA A 23 -0.014 2.557 -3.538 1.00 0.18 N ATOM 329 CA ALA A 23 -0.982 1.430 -3.447 1.00 0.19 C ATOM 330 C ALA A 23 -2.036 1.755 -2.391 1.00 0.15 C ATOM 331 O ALA A 23 -3.214 1.534 -2.592 1.00 0.16 O ATOM 332 CB ALA A 23 -0.248 0.146 -3.057 1.00 0.23 C ATOM 0 H ALA A 23 0.959 2.314 -3.349 1.00 0.18 H new ATOM 0 HA ALA A 23 -1.463 1.287 -4.415 1.00 0.19 H new ATOM 0 HB1 ALA A 23 -0.961 -0.675 -2.992 1.00 0.23 H new ATOM 0 HB2 ALA A 23 0.505 -0.086 -3.810 1.00 0.23 H new ATOM 0 HB3 ALA A 23 0.237 0.283 -2.090 1.00 0.23 H new ATOM 338 N LYS A 24 -1.635 2.294 -1.273 1.00 0.15 N ATOM 339 CA LYS A 24 -2.637 2.640 -0.233 1.00 0.18 C ATOM 340 C LYS A 24 -3.507 3.782 -0.760 1.00 0.19 C ATOM 341 O LYS A 24 -4.705 3.806 -0.567 1.00 0.26 O ATOM 342 CB LYS A 24 -1.937 3.074 1.058 1.00 0.22 C ATOM 343 CG LYS A 24 -1.259 1.862 1.701 1.00 0.21 C ATOM 344 CD LYS A 24 -0.560 2.286 2.995 1.00 0.27 C ATOM 345 CE LYS A 24 0.115 1.069 3.632 1.00 0.53 C ATOM 346 NZ LYS A 24 0.967 1.511 4.772 1.00 1.23 N ATOM 0 H LYS A 24 -0.666 2.507 -1.038 1.00 0.15 H new ATOM 0 HA LYS A 24 -3.253 1.768 -0.012 1.00 0.18 H new ATOM 0 HB2 LYS A 24 -1.198 3.846 0.842 1.00 0.22 H new ATOM 0 HB3 LYS A 24 -2.660 3.509 1.748 1.00 0.22 H new ATOM 0 HG2 LYS A 24 -1.998 1.090 1.912 1.00 0.21 H new ATOM 0 HG3 LYS A 24 -0.535 1.430 1.010 1.00 0.21 H new ATOM 0 HD2 LYS A 24 0.181 3.058 2.785 1.00 0.27 H new ATOM 0 HD3 LYS A 24 -1.283 2.718 3.687 1.00 0.27 H new ATOM 0 HE2 LYS A 24 -0.639 0.363 3.980 1.00 0.53 H new ATOM 0 HE3 LYS A 24 0.722 0.548 2.892 1.00 0.53 H new ATOM 0 HZ1 LYS A 24 0.726 0.960 5.620 1.00 1.23 H new ATOM 0 HZ2 LYS A 24 1.969 1.361 4.535 1.00 1.23 H new ATOM 0 HZ3 LYS A 24 0.802 2.521 4.957 1.00 1.23 H new ATOM 360 N VAL A 25 -2.906 4.728 -1.434 1.00 0.19 N ATOM 361 CA VAL A 25 -3.692 5.867 -1.984 1.00 0.23 C ATOM 362 C VAL A 25 -4.684 5.336 -3.023 1.00 0.24 C ATOM 363 O VAL A 25 -5.855 5.658 -3.000 1.00 0.27 O ATOM 364 CB VAL A 25 -2.742 6.872 -2.642 1.00 0.27 C ATOM 365 CG1 VAL A 25 -3.547 7.929 -3.402 1.00 0.34 C ATOM 366 CG2 VAL A 25 -1.893 7.549 -1.562 1.00 0.29 C ATOM 0 H VAL A 25 -1.905 4.759 -1.626 1.00 0.19 H new ATOM 0 HA VAL A 25 -4.236 6.362 -1.180 1.00 0.23 H new ATOM 0 HB VAL A 25 -2.092 6.349 -3.343 1.00 0.27 H new ATOM 0 HG11 VAL A 25 -2.865 8.641 -3.867 1.00 0.34 H new ATOM 0 HG12 VAL A 25 -4.147 7.445 -4.172 1.00 0.34 H new ATOM 0 HG13 VAL A 25 -4.203 8.455 -2.708 1.00 0.34 H new ATOM 0 HG21 VAL A 25 -1.216 8.265 -2.027 1.00 0.29 H new ATOM 0 HG22 VAL A 25 -2.545 8.069 -0.860 1.00 0.29 H new ATOM 0 HG23 VAL A 25 -1.314 6.795 -1.029 1.00 0.29 H new ATOM 376 N LEU A 26 -4.221 4.523 -3.937 1.00 0.22 N ATOM 377 CA LEU A 26 -5.138 3.972 -4.974 1.00 0.25 C ATOM 378 C LEU A 26 -6.193 3.092 -4.297 1.00 0.23 C ATOM 379 O LEU A 26 -7.356 3.116 -4.651 1.00 0.28 O ATOM 380 CB LEU A 26 -4.332 3.128 -5.973 1.00 0.26 C ATOM 381 CG LEU A 26 -3.428 4.029 -6.830 1.00 0.31 C ATOM 382 CD1 LEU A 26 -2.514 3.144 -7.685 1.00 0.73 C ATOM 383 CD2 LEU A 26 -4.277 4.937 -7.745 1.00 0.78 C ATOM 0 H LEU A 26 -3.250 4.219 -4.009 1.00 0.22 H new ATOM 0 HA LEU A 26 -5.627 4.790 -5.503 1.00 0.25 H new ATOM 0 HB2 LEU A 26 -3.725 2.399 -5.436 1.00 0.26 H new ATOM 0 HB3 LEU A 26 -5.011 2.567 -6.615 1.00 0.26 H new ATOM 0 HG LEU A 26 -2.830 4.664 -6.176 1.00 0.31 H new ATOM 0 HD11 LEU A 26 -1.868 3.773 -8.297 1.00 0.73 H new ATOM 0 HD12 LEU A 26 -1.902 2.519 -7.035 1.00 0.73 H new ATOM 0 HD13 LEU A 26 -3.122 2.510 -8.331 1.00 0.73 H new ATOM 0 HD21 LEU A 26 -3.619 5.567 -8.344 1.00 0.78 H new ATOM 0 HD22 LEU A 26 -4.888 4.320 -8.404 1.00 0.78 H new ATOM 0 HD23 LEU A 26 -4.925 5.566 -7.134 1.00 0.78 H new ATOM 395 N ALA A 27 -5.799 2.321 -3.320 1.00 0.18 N ATOM 396 CA ALA A 27 -6.779 1.448 -2.611 1.00 0.18 C ATOM 397 C ALA A 27 -7.720 2.313 -1.769 1.00 0.16 C ATOM 398 O ALA A 27 -8.883 2.008 -1.606 1.00 0.19 O ATOM 399 CB ALA A 27 -6.033 0.471 -1.700 1.00 0.20 C ATOM 0 H ALA A 27 -4.839 2.258 -2.981 1.00 0.18 H new ATOM 0 HA ALA A 27 -7.359 0.888 -3.345 1.00 0.18 H new ATOM 0 HB1 ALA A 27 -6.751 -0.165 -1.183 1.00 0.20 H new ATOM 0 HB2 ALA A 27 -5.365 -0.148 -2.299 1.00 0.20 H new ATOM 0 HB3 ALA A 27 -5.450 1.029 -0.967 1.00 0.20 H new ATOM 405 N ASN A 28 -7.216 3.387 -1.224 1.00 0.15 N ATOM 406 CA ASN A 28 -8.068 4.273 -0.379 1.00 0.14 C ATOM 407 C ASN A 28 -9.243 4.809 -1.199 1.00 0.15 C ATOM 408 O ASN A 28 -10.383 4.741 -0.783 1.00 0.18 O ATOM 409 CB ASN A 28 -7.221 5.448 0.117 1.00 0.15 C ATOM 410 CG ASN A 28 -8.076 6.369 0.987 1.00 0.17 C ATOM 411 OD1 ASN A 28 -8.714 7.275 0.486 1.00 0.22 O ATOM 412 ND2 ASN A 28 -8.105 6.187 2.277 1.00 0.22 N ATOM 0 H ASN A 28 -6.248 3.690 -1.328 1.00 0.15 H new ATOM 0 HA ASN A 28 -8.455 3.704 0.466 1.00 0.14 H new ATOM 0 HB2 ASN A 28 -6.370 5.079 0.689 1.00 0.15 H new ATOM 0 HB3 ASN A 28 -6.819 6.003 -0.731 1.00 0.15 H new ATOM 0 HD21 ASN A 28 -8.663 6.805 2.867 1.00 0.22 H new ATOM 0 HD22 ASN A 28 -7.570 5.427 2.697 1.00 0.22 H new ATOM 419 N ARG A 29 -8.979 5.344 -2.357 1.00 0.18 N ATOM 420 CA ARG A 29 -10.085 5.883 -3.198 1.00 0.22 C ATOM 421 C ARG A 29 -10.938 4.734 -3.740 1.00 0.19 C ATOM 422 O ARG A 29 -12.082 4.913 -4.102 1.00 0.21 O ATOM 423 CB ARG A 29 -9.499 6.687 -4.357 1.00 0.31 C ATOM 424 CG ARG A 29 -8.565 5.803 -5.189 1.00 1.18 C ATOM 425 CD ARG A 29 -7.982 6.626 -6.339 1.00 1.46 C ATOM 426 NE ARG A 29 -7.344 7.858 -5.792 1.00 2.22 N ATOM 427 CZ ARG A 29 -6.555 8.577 -6.543 1.00 2.79 C ATOM 428 NH1 ARG A 29 -6.319 8.216 -7.775 1.00 2.95 N ATOM 429 NH2 ARG A 29 -6.004 9.658 -6.063 1.00 3.73 N ATOM 0 H ARG A 29 -8.046 5.432 -2.759 1.00 0.18 H new ATOM 0 HA ARG A 29 -10.715 6.533 -2.590 1.00 0.22 H new ATOM 0 HB2 ARG A 29 -10.302 7.074 -4.985 1.00 0.31 H new ATOM 0 HB3 ARG A 29 -8.952 7.548 -3.973 1.00 0.31 H new ATOM 0 HG2 ARG A 29 -7.763 5.412 -4.563 1.00 1.18 H new ATOM 0 HG3 ARG A 29 -9.111 4.945 -5.581 1.00 1.18 H new ATOM 0 HD2 ARG A 29 -7.248 6.036 -6.888 1.00 1.46 H new ATOM 0 HD3 ARG A 29 -8.768 6.893 -7.045 1.00 1.46 H new ATOM 0 HE ARG A 29 -7.525 8.139 -4.828 1.00 2.22 H new ATOM 0 HH11 ARG A 29 -6.751 7.372 -8.151 1.00 2.95 H new ATOM 0 HH12 ARG A 29 -5.702 8.778 -8.362 1.00 2.95 H new ATOM 0 HH21 ARG A 29 -6.190 9.941 -5.101 1.00 3.73 H new ATOM 0 HH22 ARG A 29 -5.387 10.220 -6.650 1.00 3.73 H new ATOM 443 N GLU A 30 -10.388 3.560 -3.812 1.00 0.21 N ATOM 444 CA GLU A 30 -11.172 2.410 -4.341 1.00 0.28 C ATOM 445 C GLU A 30 -12.411 2.188 -3.469 1.00 0.27 C ATOM 446 O GLU A 30 -13.489 1.920 -3.963 1.00 0.33 O ATOM 447 CB GLU A 30 -10.296 1.156 -4.334 1.00 0.37 C ATOM 448 CG GLU A 30 -11.037 0.015 -5.028 1.00 0.60 C ATOM 449 CD GLU A 30 -10.160 -1.238 -5.033 1.00 0.64 C ATOM 450 OE1 GLU A 30 -8.996 -1.124 -4.688 1.00 1.39 O ATOM 451 OE2 GLU A 30 -10.665 -2.290 -5.390 1.00 1.33 O ATOM 0 H GLU A 30 -9.432 3.344 -3.529 1.00 0.21 H new ATOM 0 HA GLU A 30 -11.491 2.621 -5.362 1.00 0.28 H new ATOM 0 HB2 GLU A 30 -9.353 1.355 -4.844 1.00 0.37 H new ATOM 0 HB3 GLU A 30 -10.052 0.876 -3.309 1.00 0.37 H new ATOM 0 HG2 GLU A 30 -11.976 -0.188 -4.514 1.00 0.60 H new ATOM 0 HG3 GLU A 30 -11.288 0.299 -6.050 1.00 0.60 H new ATOM 458 N LEU A 31 -12.268 2.310 -2.182 1.00 0.23 N ATOM 459 CA LEU A 31 -13.437 2.123 -1.272 1.00 0.28 C ATOM 460 C LEU A 31 -14.389 3.292 -1.461 1.00 0.32 C ATOM 461 O LEU A 31 -15.589 3.178 -1.299 1.00 0.43 O ATOM 462 CB LEU A 31 -12.955 2.119 0.174 1.00 0.26 C ATOM 463 CG LEU A 31 -11.826 1.113 0.324 1.00 0.25 C ATOM 464 CD1 LEU A 31 -11.335 1.113 1.775 1.00 0.27 C ATOM 465 CD2 LEU A 31 -12.329 -0.291 -0.052 1.00 0.33 C ATOM 0 H LEU A 31 -11.389 2.532 -1.715 1.00 0.23 H new ATOM 0 HA LEU A 31 -13.936 1.181 -1.499 1.00 0.28 H new ATOM 0 HB2 LEU A 31 -12.611 3.114 0.458 1.00 0.26 H new ATOM 0 HB3 LEU A 31 -13.777 1.863 0.843 1.00 0.26 H new ATOM 0 HG LEU A 31 -11.005 1.388 -0.338 1.00 0.25 H new ATOM 0 HD11 LEU A 31 -10.525 0.392 1.885 1.00 0.27 H new ATOM 0 HD12 LEU A 31 -10.974 2.107 2.037 1.00 0.27 H new ATOM 0 HD13 LEU A 31 -12.157 0.840 2.437 1.00 0.27 H new ATOM 0 HD21 LEU A 31 -11.517 -1.010 0.057 1.00 0.33 H new ATOM 0 HD22 LEU A 31 -13.152 -0.571 0.606 1.00 0.33 H new ATOM 0 HD23 LEU A 31 -12.675 -0.289 -1.085 1.00 0.33 H new ATOM 477 N ASP A 32 -13.844 4.423 -1.780 1.00 0.28 N ATOM 478 CA ASP A 32 -14.672 5.635 -1.962 1.00 0.35 C ATOM 479 C ASP A 32 -15.691 5.406 -3.082 1.00 0.42 C ATOM 480 O ASP A 32 -16.831 5.813 -2.981 1.00 0.54 O ATOM 481 CB ASP A 32 -13.740 6.787 -2.322 1.00 0.38 C ATOM 482 CG ASP A 32 -14.488 8.116 -2.199 1.00 0.54 C ATOM 483 OD1 ASP A 32 -15.707 8.091 -2.224 1.00 1.12 O ATOM 484 OD2 ASP A 32 -13.828 9.136 -2.084 1.00 1.14 O ATOM 0 H ASP A 32 -12.844 4.561 -1.925 1.00 0.28 H new ATOM 0 HA ASP A 32 -15.219 5.866 -1.048 1.00 0.35 H new ATOM 0 HB2 ASP A 32 -12.872 6.785 -1.662 1.00 0.38 H new ATOM 0 HB3 ASP A 32 -13.367 6.661 -3.339 1.00 0.38 H new ATOM 489 N LYS A 33 -15.303 4.755 -4.147 1.00 0.38 N ATOM 490 CA LYS A 33 -16.278 4.510 -5.249 1.00 0.46 C ATOM 491 C LYS A 33 -17.465 3.694 -4.729 1.00 0.42 C ATOM 492 O LYS A 33 -18.604 3.973 -5.044 1.00 0.46 O ATOM 493 CB LYS A 33 -15.602 3.743 -6.387 1.00 0.58 C ATOM 494 CG LYS A 33 -14.593 4.651 -7.096 1.00 0.74 C ATOM 495 CD LYS A 33 -14.014 3.936 -8.330 1.00 1.34 C ATOM 496 CE LYS A 33 -12.886 2.989 -7.913 1.00 1.16 C ATOM 497 NZ LYS A 33 -12.283 2.373 -9.128 1.00 1.78 N ATOM 0 H LYS A 33 -14.364 4.386 -4.301 1.00 0.38 H new ATOM 0 HA LYS A 33 -16.632 5.472 -5.619 1.00 0.46 H new ATOM 0 HB2 LYS A 33 -15.097 2.860 -5.994 1.00 0.58 H new ATOM 0 HB3 LYS A 33 -16.351 3.392 -7.097 1.00 0.58 H new ATOM 0 HG2 LYS A 33 -15.077 5.580 -7.398 1.00 0.74 H new ATOM 0 HG3 LYS A 33 -13.789 4.919 -6.411 1.00 0.74 H new ATOM 0 HD2 LYS A 33 -14.800 3.376 -8.837 1.00 1.34 H new ATOM 0 HD3 LYS A 33 -13.637 4.671 -9.041 1.00 1.34 H new ATOM 0 HE2 LYS A 33 -12.126 3.535 -7.353 1.00 1.16 H new ATOM 0 HE3 LYS A 33 -13.273 2.213 -7.252 1.00 1.16 H new ATOM 0 HZ1 LYS A 33 -11.516 1.729 -8.847 1.00 1.78 H new ATOM 0 HZ2 LYS A 33 -13.011 1.839 -9.645 1.00 1.78 H new ATOM 0 HZ3 LYS A 33 -11.900 3.120 -9.742 1.00 1.78 H new ATOM 511 N TYR A 34 -17.211 2.681 -3.943 1.00 0.36 N ATOM 512 CA TYR A 34 -18.334 1.851 -3.422 1.00 0.37 C ATOM 513 C TYR A 34 -19.063 2.610 -2.310 1.00 0.33 C ATOM 514 O TYR A 34 -20.230 2.383 -2.056 1.00 0.55 O ATOM 515 CB TYR A 34 -17.794 0.522 -2.880 1.00 0.40 C ATOM 516 CG TYR A 34 -16.990 -0.187 -3.957 1.00 0.59 C ATOM 517 CD1 TYR A 34 -17.575 -0.494 -5.197 1.00 1.03 C ATOM 518 CD2 TYR A 34 -15.654 -0.535 -3.716 1.00 1.10 C ATOM 519 CE1 TYR A 34 -16.824 -1.143 -6.185 1.00 1.16 C ATOM 520 CE2 TYR A 34 -14.909 -1.186 -4.705 1.00 1.25 C ATOM 521 CZ TYR A 34 -15.492 -1.489 -5.937 1.00 0.99 C ATOM 522 OH TYR A 34 -14.752 -2.129 -6.911 1.00 1.20 O ATOM 0 H TYR A 34 -16.280 2.394 -3.641 1.00 0.36 H new ATOM 0 HA TYR A 34 -19.033 1.645 -4.233 1.00 0.37 H new ATOM 0 HB2 TYR A 34 -17.168 0.703 -2.006 1.00 0.40 H new ATOM 0 HB3 TYR A 34 -18.620 -0.111 -2.555 1.00 0.40 H new ATOM 0 HD1 TYR A 34 -18.604 -0.229 -5.388 1.00 1.03 H new ATOM 0 HD2 TYR A 34 -15.199 -0.300 -2.765 1.00 1.10 H new ATOM 0 HE1 TYR A 34 -17.274 -1.376 -7.139 1.00 1.16 H new ATOM 0 HE2 TYR A 34 -13.880 -1.455 -4.515 1.00 1.25 H new ATOM 0 HH TYR A 34 -13.846 -2.296 -6.577 1.00 1.20 H new ATOM 532 N GLY A 35 -18.392 3.514 -1.647 1.00 0.24 N ATOM 533 CA GLY A 35 -19.055 4.293 -0.558 1.00 0.31 C ATOM 534 C GLY A 35 -18.896 3.570 0.783 1.00 0.31 C ATOM 535 O GLY A 35 -19.715 3.709 1.670 1.00 0.36 O ATOM 0 H GLY A 35 -17.413 3.748 -1.812 1.00 0.24 H new ATOM 0 HA2 GLY A 35 -18.618 5.290 -0.496 1.00 0.31 H new ATOM 0 HA3 GLY A 35 -20.113 4.423 -0.786 1.00 0.31 H new ATOM 539 N VAL A 36 -17.850 2.806 0.948 1.00 0.33 N ATOM 540 CA VAL A 36 -17.654 2.092 2.241 1.00 0.38 C ATOM 541 C VAL A 36 -17.447 3.130 3.354 1.00 0.42 C ATOM 542 O VAL A 36 -17.125 4.272 3.094 1.00 0.45 O ATOM 543 CB VAL A 36 -16.428 1.169 2.153 1.00 0.41 C ATOM 544 CG1 VAL A 36 -16.539 0.054 3.200 1.00 0.71 C ATOM 545 CG2 VAL A 36 -16.353 0.549 0.755 1.00 0.66 C ATOM 0 H VAL A 36 -17.126 2.646 0.247 1.00 0.33 H new ATOM 0 HA VAL A 36 -18.532 1.484 2.461 1.00 0.38 H new ATOM 0 HB VAL A 36 -15.527 1.752 2.343 1.00 0.41 H new ATOM 0 HG11 VAL A 36 -15.667 -0.597 3.132 1.00 0.71 H new ATOM 0 HG12 VAL A 36 -16.587 0.494 4.196 1.00 0.71 H new ATOM 0 HG13 VAL A 36 -17.442 -0.529 3.017 1.00 0.71 H new ATOM 0 HG21 VAL A 36 -15.483 -0.105 0.693 1.00 0.66 H new ATOM 0 HG22 VAL A 36 -17.257 -0.030 0.565 1.00 0.66 H new ATOM 0 HG23 VAL A 36 -16.265 1.340 0.010 1.00 0.66 H new ATOM 555 N SER A 37 -17.635 2.744 4.586 1.00 0.55 N ATOM 556 CA SER A 37 -17.457 3.712 5.708 1.00 0.64 C ATOM 557 C SER A 37 -16.021 4.248 5.716 1.00 0.50 C ATOM 558 O SER A 37 -15.117 3.641 5.177 1.00 0.93 O ATOM 559 CB SER A 37 -17.740 3.005 7.034 1.00 0.96 C ATOM 560 OG SER A 37 -17.771 3.965 8.080 1.00 1.56 O ATOM 0 H SER A 37 -17.904 1.801 4.865 1.00 0.55 H new ATOM 0 HA SER A 37 -18.148 4.544 5.576 1.00 0.64 H new ATOM 0 HB2 SER A 37 -18.692 2.476 6.982 1.00 0.96 H new ATOM 0 HB3 SER A 37 -16.971 2.258 7.233 1.00 0.96 H new ATOM 0 HG SER A 37 -17.954 3.515 8.931 1.00 1.56 H new ATOM 566 N ASP A 38 -15.810 5.388 6.322 1.00 0.43 N ATOM 567 CA ASP A 38 -14.438 5.977 6.368 1.00 0.37 C ATOM 568 C ASP A 38 -13.544 5.139 7.283 1.00 0.54 C ATOM 569 O ASP A 38 -12.335 5.256 7.266 1.00 1.41 O ATOM 570 CB ASP A 38 -14.514 7.408 6.904 1.00 0.53 C ATOM 571 CG ASP A 38 -15.074 7.393 8.328 1.00 1.52 C ATOM 572 OD1 ASP A 38 -15.705 6.411 8.684 1.00 2.16 O ATOM 573 OD2 ASP A 38 -14.864 8.364 9.036 1.00 2.35 O ATOM 0 H ASP A 38 -16.531 5.938 6.788 1.00 0.43 H new ATOM 0 HA ASP A 38 -14.018 5.985 5.362 1.00 0.37 H new ATOM 0 HB2 ASP A 38 -13.524 7.863 6.897 1.00 0.53 H new ATOM 0 HB3 ASP A 38 -15.149 8.016 6.259 1.00 0.53 H new ATOM 578 N TYR A 39 -14.131 4.293 8.081 1.00 0.42 N ATOM 579 CA TYR A 39 -13.321 3.444 9.000 1.00 0.33 C ATOM 580 C TYR A 39 -12.359 2.566 8.188 1.00 0.25 C ATOM 581 O TYR A 39 -11.192 2.452 8.505 1.00 0.26 O ATOM 582 CB TYR A 39 -14.265 2.554 9.812 1.00 0.44 C ATOM 583 CG TYR A 39 -13.461 1.580 10.632 1.00 0.57 C ATOM 584 CD1 TYR A 39 -13.046 1.917 11.925 1.00 1.19 C ATOM 585 CD2 TYR A 39 -13.127 0.333 10.093 1.00 1.35 C ATOM 586 CE1 TYR A 39 -12.298 1.006 12.680 1.00 1.30 C ATOM 587 CE2 TYR A 39 -12.380 -0.577 10.844 1.00 1.51 C ATOM 588 CZ TYR A 39 -11.964 -0.242 12.138 1.00 1.02 C ATOM 589 OH TYR A 39 -11.226 -1.141 12.881 1.00 1.27 O ATOM 0 H TYR A 39 -15.140 4.152 8.137 1.00 0.42 H new ATOM 0 HA TYR A 39 -12.741 4.079 9.669 1.00 0.33 H new ATOM 0 HB2 TYR A 39 -14.888 3.167 10.464 1.00 0.44 H new ATOM 0 HB3 TYR A 39 -14.937 2.015 9.144 1.00 0.44 H new ATOM 0 HD1 TYR A 39 -13.303 2.880 12.341 1.00 1.19 H new ATOM 0 HD2 TYR A 39 -13.447 0.074 9.095 1.00 1.35 H new ATOM 0 HE1 TYR A 39 -11.979 1.265 13.679 1.00 1.30 H new ATOM 0 HE2 TYR A 39 -12.123 -1.539 10.426 1.00 1.51 H new ATOM 0 HH TYR A 39 -11.083 -1.958 12.358 1.00 1.27 H new ATOM 599 N TYR A 40 -12.845 1.936 7.159 1.00 0.25 N ATOM 600 CA TYR A 40 -11.975 1.049 6.334 1.00 0.23 C ATOM 601 C TYR A 40 -10.809 1.846 5.734 1.00 0.19 C ATOM 602 O TYR A 40 -9.739 1.316 5.530 1.00 0.19 O ATOM 603 CB TYR A 40 -12.800 0.439 5.201 1.00 0.29 C ATOM 604 CG TYR A 40 -13.898 -0.422 5.779 1.00 0.29 C ATOM 605 CD1 TYR A 40 -13.664 -1.779 6.034 1.00 0.80 C ATOM 606 CD2 TYR A 40 -15.150 0.137 6.059 1.00 0.66 C ATOM 607 CE1 TYR A 40 -14.684 -2.577 6.567 1.00 0.94 C ATOM 608 CE2 TYR A 40 -16.170 -0.661 6.592 1.00 0.76 C ATOM 609 CZ TYR A 40 -15.937 -2.017 6.846 1.00 0.70 C ATOM 610 OH TYR A 40 -16.942 -2.803 7.371 1.00 0.93 O ATOM 0 H TYR A 40 -13.815 1.996 6.849 1.00 0.25 H new ATOM 0 HA TYR A 40 -11.575 0.261 6.972 1.00 0.23 H new ATOM 0 HB2 TYR A 40 -13.230 1.229 4.585 1.00 0.29 H new ATOM 0 HB3 TYR A 40 -12.159 -0.158 4.552 1.00 0.29 H new ATOM 0 HD1 TYR A 40 -12.697 -2.210 5.820 1.00 0.80 H new ATOM 0 HD2 TYR A 40 -15.330 1.184 5.864 1.00 0.66 H new ATOM 0 HE1 TYR A 40 -14.504 -3.624 6.763 1.00 0.94 H new ATOM 0 HE2 TYR A 40 -17.137 -0.230 6.807 1.00 0.76 H new ATOM 0 HH TYR A 40 -17.746 -2.259 7.506 1.00 0.93 H new ATOM 620 N LYS A 41 -11.000 3.107 5.450 1.00 0.18 N ATOM 621 CA LYS A 41 -9.892 3.916 4.859 1.00 0.17 C ATOM 622 C LYS A 41 -8.742 3.900 5.842 1.00 0.16 C ATOM 623 O LYS A 41 -7.602 3.640 5.511 1.00 0.17 O ATOM 624 CB LYS A 41 -10.337 5.380 4.704 1.00 0.22 C ATOM 625 CG LYS A 41 -11.680 5.472 3.997 1.00 0.79 C ATOM 626 CD LYS A 41 -11.518 5.275 2.498 1.00 1.17 C ATOM 627 CE LYS A 41 -12.904 5.353 1.873 1.00 1.68 C ATOM 628 NZ LYS A 41 -12.791 5.471 0.393 1.00 2.14 N ATOM 0 H LYS A 41 -11.873 3.612 5.601 1.00 0.18 H new ATOM 0 HA LYS A 41 -9.614 3.505 3.888 1.00 0.17 H new ATOM 0 HB2 LYS A 41 -10.407 5.848 5.686 1.00 0.22 H new ATOM 0 HB3 LYS A 41 -9.587 5.934 4.140 1.00 0.22 H new ATOM 0 HG2 LYS A 41 -12.358 4.718 4.396 1.00 0.79 H new ATOM 0 HG3 LYS A 41 -12.133 6.444 4.193 1.00 0.79 H new ATOM 0 HD2 LYS A 41 -10.865 6.041 2.079 1.00 1.17 H new ATOM 0 HD3 LYS A 41 -11.056 4.311 2.286 1.00 1.17 H new ATOM 0 HE2 LYS A 41 -13.479 4.464 2.132 1.00 1.68 H new ATOM 0 HE3 LYS A 41 -13.445 6.210 2.274 1.00 1.68 H new ATOM 0 HZ1 LYS A 41 -13.576 4.959 -0.057 1.00 2.14 H new ATOM 0 HZ2 LYS A 41 -12.831 6.474 0.121 1.00 2.14 H new ATOM 0 HZ3 LYS A 41 -11.887 5.063 0.080 1.00 2.14 H new ATOM 642 N ASN A 42 -9.061 4.191 7.061 1.00 0.19 N ATOM 643 CA ASN A 42 -8.027 4.219 8.125 1.00 0.21 C ATOM 644 C ASN A 42 -7.379 2.842 8.238 1.00 0.18 C ATOM 645 O ASN A 42 -6.194 2.720 8.472 1.00 0.19 O ATOM 646 CB ASN A 42 -8.670 4.598 9.462 1.00 0.25 C ATOM 647 CG ASN A 42 -7.599 4.621 10.556 1.00 0.32 C ATOM 648 OD1 ASN A 42 -7.527 3.721 11.368 1.00 1.12 O ATOM 649 ND2 ASN A 42 -6.760 5.618 10.612 1.00 1.16 N ATOM 0 H ASN A 42 -10.006 4.414 7.374 1.00 0.19 H new ATOM 0 HA ASN A 42 -7.267 4.959 7.872 1.00 0.21 H new ATOM 0 HB2 ASN A 42 -9.147 5.575 9.384 1.00 0.25 H new ATOM 0 HB3 ASN A 42 -9.451 3.882 9.718 1.00 0.25 H new ATOM 0 HD21 ASN A 42 -6.044 5.642 11.338 1.00 1.16 H new ATOM 0 HD22 ASN A 42 -6.820 6.374 9.930 1.00 1.16 H new ATOM 656 N LEU A 43 -8.147 1.807 8.075 1.00 0.16 N ATOM 657 CA LEU A 43 -7.576 0.439 8.172 1.00 0.16 C ATOM 658 C LEU A 43 -6.487 0.279 7.104 1.00 0.14 C ATOM 659 O LEU A 43 -5.454 -0.313 7.348 1.00 0.17 O ATOM 660 CB LEU A 43 -8.688 -0.593 7.967 1.00 0.17 C ATOM 661 CG LEU A 43 -8.122 -2.017 8.063 1.00 0.20 C ATOM 662 CD1 LEU A 43 -7.513 -2.257 9.456 1.00 0.63 C ATOM 663 CD2 LEU A 43 -9.259 -3.016 7.819 1.00 0.63 C ATOM 0 H LEU A 43 -9.147 1.848 7.878 1.00 0.16 H new ATOM 0 HA LEU A 43 -7.135 0.282 9.157 1.00 0.16 H new ATOM 0 HB2 LEU A 43 -9.466 -0.453 8.718 1.00 0.17 H new ATOM 0 HB3 LEU A 43 -9.155 -0.445 6.993 1.00 0.17 H new ATOM 0 HG LEU A 43 -7.340 -2.148 7.315 1.00 0.20 H new ATOM 0 HD11 LEU A 43 -7.116 -3.271 9.510 1.00 0.63 H new ATOM 0 HD12 LEU A 43 -6.709 -1.542 9.629 1.00 0.63 H new ATOM 0 HD13 LEU A 43 -8.283 -2.128 10.217 1.00 0.63 H new ATOM 0 HD21 LEU A 43 -8.871 -4.032 7.884 1.00 0.63 H new ATOM 0 HD22 LEU A 43 -10.035 -2.875 8.571 1.00 0.63 H new ATOM 0 HD23 LEU A 43 -9.681 -2.852 6.827 1.00 0.63 H new ATOM 675 N ILE A 44 -6.700 0.802 5.920 1.00 0.13 N ATOM 676 CA ILE A 44 -5.661 0.666 4.854 1.00 0.13 C ATOM 677 C ILE A 44 -4.372 1.326 5.345 1.00 0.14 C ATOM 678 O ILE A 44 -3.287 0.812 5.158 1.00 0.15 O ATOM 679 CB ILE A 44 -6.115 1.382 3.573 1.00 0.16 C ATOM 680 CG1 ILE A 44 -7.513 0.911 3.134 1.00 0.33 C ATOM 681 CG2 ILE A 44 -5.111 1.094 2.455 1.00 0.14 C ATOM 682 CD1 ILE A 44 -7.630 -0.612 3.225 1.00 0.38 C ATOM 0 H ILE A 44 -7.540 1.312 5.649 1.00 0.13 H new ATOM 0 HA ILE A 44 -5.503 -0.391 4.640 1.00 0.13 H new ATOM 0 HB ILE A 44 -6.163 2.452 3.776 1.00 0.16 H new ATOM 0 HG12 ILE A 44 -8.272 1.376 3.763 1.00 0.33 H new ATOM 0 HG13 ILE A 44 -7.705 1.234 2.111 1.00 0.33 H new ATOM 0 HG21 ILE A 44 -5.428 1.599 1.543 1.00 0.14 H new ATOM 0 HG22 ILE A 44 -4.126 1.457 2.748 1.00 0.14 H new ATOM 0 HG23 ILE A 44 -5.063 0.020 2.277 1.00 0.14 H new ATOM 0 HD11 ILE A 44 -8.627 -0.920 2.910 1.00 0.38 H new ATOM 0 HD12 ILE A 44 -6.885 -1.074 2.576 1.00 0.38 H new ATOM 0 HD13 ILE A 44 -7.461 -0.929 4.254 1.00 0.38 H new ATOM 694 N ASN A 45 -4.485 2.457 5.982 1.00 0.15 N ATOM 695 CA ASN A 45 -3.274 3.149 6.502 1.00 0.19 C ATOM 696 C ASN A 45 -2.559 2.230 7.496 1.00 0.20 C ATOM 697 O ASN A 45 -1.347 2.151 7.531 1.00 0.28 O ATOM 698 CB ASN A 45 -3.687 4.451 7.199 1.00 0.22 C ATOM 699 CG ASN A 45 -4.158 5.464 6.154 1.00 0.65 C ATOM 700 OD1 ASN A 45 -3.832 5.349 4.990 1.00 1.46 O ATOM 701 ND2 ASN A 45 -4.914 6.461 6.524 1.00 0.94 N ATOM 0 H ASN A 45 -5.368 2.934 6.166 1.00 0.15 H new ATOM 0 HA ASN A 45 -2.601 3.385 5.678 1.00 0.19 H new ATOM 0 HB2 ASN A 45 -4.485 4.255 7.916 1.00 0.22 H new ATOM 0 HB3 ASN A 45 -2.846 4.857 7.761 1.00 0.22 H new ATOM 0 HD21 ASN A 45 -5.231 7.144 5.836 1.00 0.94 H new ATOM 0 HD22 ASN A 45 -5.188 6.558 7.502 1.00 0.94 H new ATOM 708 N ASN A 46 -3.309 1.539 8.310 1.00 0.17 N ATOM 709 CA ASN A 46 -2.695 0.626 9.315 1.00 0.22 C ATOM 710 C ASN A 46 -1.859 -0.449 8.608 1.00 0.24 C ATOM 711 O ASN A 46 -0.794 -0.815 9.066 1.00 0.27 O ATOM 712 CB ASN A 46 -3.803 -0.037 10.138 1.00 0.24 C ATOM 713 CG ASN A 46 -3.182 -0.975 11.177 1.00 0.41 C ATOM 714 OD1 ASN A 46 -2.179 -0.651 11.781 1.00 1.10 O ATOM 715 ND2 ASN A 46 -3.741 -2.130 11.413 1.00 1.22 N ATOM 0 H ASN A 46 -4.329 1.568 8.322 1.00 0.17 H new ATOM 0 HA ASN A 46 -2.044 1.200 9.974 1.00 0.22 H new ATOM 0 HB2 ASN A 46 -4.405 0.724 10.634 1.00 0.24 H new ATOM 0 HB3 ASN A 46 -4.471 -0.596 9.483 1.00 0.24 H new ATOM 0 HD21 ASN A 46 -3.336 -2.761 12.105 1.00 1.22 H new ATOM 0 HD22 ASN A 46 -4.583 -2.402 10.906 1.00 1.22 H new ATOM 722 N ALA A 47 -2.329 -0.970 7.505 1.00 0.24 N ATOM 723 CA ALA A 47 -1.551 -2.026 6.792 1.00 0.30 C ATOM 724 C ALA A 47 -0.096 -1.575 6.635 1.00 0.51 C ATOM 725 O ALA A 47 0.184 -0.497 6.150 1.00 1.49 O ATOM 726 CB ALA A 47 -2.162 -2.267 5.409 1.00 0.21 C ATOM 0 H ALA A 47 -3.214 -0.712 7.069 1.00 0.24 H new ATOM 0 HA ALA A 47 -1.584 -2.950 7.370 1.00 0.30 H new ATOM 0 HB1 ALA A 47 -1.593 -3.038 4.889 1.00 0.21 H new ATOM 0 HB2 ALA A 47 -3.197 -2.592 5.520 1.00 0.21 H new ATOM 0 HB3 ALA A 47 -2.132 -1.343 4.832 1.00 0.21 H new ATOM 732 N LYS A 48 0.832 -2.398 7.056 1.00 0.60 N ATOM 733 CA LYS A 48 2.280 -2.040 6.957 1.00 0.53 C ATOM 734 C LYS A 48 2.907 -2.729 5.739 1.00 0.42 C ATOM 735 O LYS A 48 4.102 -2.666 5.533 1.00 0.51 O ATOM 736 CB LYS A 48 3.002 -2.463 8.255 1.00 0.68 C ATOM 737 CG LYS A 48 2.319 -3.691 8.877 1.00 1.13 C ATOM 738 CD LYS A 48 2.361 -4.867 7.902 1.00 1.72 C ATOM 739 CE LYS A 48 1.867 -6.131 8.611 1.00 2.29 C ATOM 740 NZ LYS A 48 0.437 -5.963 8.994 1.00 2.97 N ATOM 0 H LYS A 48 0.646 -3.312 7.468 1.00 0.60 H new ATOM 0 HA LYS A 48 2.383 -0.962 6.831 1.00 0.53 H new ATOM 0 HB2 LYS A 48 4.046 -2.691 8.039 1.00 0.68 H new ATOM 0 HB3 LYS A 48 2.996 -1.637 8.967 1.00 0.68 H new ATOM 0 HG2 LYS A 48 2.818 -3.962 9.807 1.00 1.13 H new ATOM 0 HG3 LYS A 48 1.285 -3.453 9.128 1.00 1.13 H new ATOM 0 HD2 LYS A 48 1.737 -4.656 7.033 1.00 1.72 H new ATOM 0 HD3 LYS A 48 3.377 -5.015 7.536 1.00 1.72 H new ATOM 0 HE2 LYS A 48 1.979 -6.995 7.956 1.00 2.29 H new ATOM 0 HE3 LYS A 48 2.471 -6.322 9.498 1.00 2.29 H new ATOM 0 HZ1 LYS A 48 0.041 -6.884 9.271 1.00 2.97 H new ATOM 0 HZ2 LYS A 48 0.367 -5.301 9.793 1.00 2.97 H new ATOM 0 HZ3 LYS A 48 -0.097 -5.586 8.185 1.00 2.97 H new ATOM 754 N THR A 49 2.113 -3.374 4.925 1.00 0.35 N ATOM 755 CA THR A 49 2.675 -4.051 3.715 1.00 0.42 C ATOM 756 C THR A 49 1.664 -3.963 2.569 1.00 0.62 C ATOM 757 O THR A 49 0.478 -4.137 2.760 1.00 1.59 O ATOM 758 CB THR A 49 2.973 -5.517 4.037 1.00 0.45 C ATOM 759 OG1 THR A 49 3.541 -5.606 5.334 1.00 0.57 O ATOM 760 CG2 THR A 49 3.966 -6.068 3.020 1.00 0.48 C ATOM 0 H THR A 49 1.104 -3.462 5.043 1.00 0.35 H new ATOM 0 HA THR A 49 3.601 -3.558 3.417 1.00 0.42 H new ATOM 0 HB THR A 49 2.048 -6.093 3.997 1.00 0.45 H new ATOM 0 HG1 THR A 49 3.732 -6.544 5.544 1.00 0.57 H new ATOM 0 HG21 THR A 49 4.179 -7.112 3.248 1.00 0.48 H new ATOM 0 HG22 THR A 49 3.540 -5.995 2.019 1.00 0.48 H new ATOM 0 HG23 THR A 49 4.890 -5.491 3.064 1.00 0.48 H new ATOM 768 N VAL A 50 2.129 -3.679 1.384 1.00 0.44 N ATOM 769 CA VAL A 50 1.206 -3.554 0.219 1.00 0.33 C ATOM 770 C VAL A 50 0.614 -4.911 -0.166 1.00 0.37 C ATOM 771 O VAL A 50 -0.499 -4.987 -0.647 1.00 0.40 O ATOM 772 CB VAL A 50 1.975 -2.989 -0.968 1.00 0.42 C ATOM 773 CG1 VAL A 50 3.085 -3.962 -1.377 1.00 0.47 C ATOM 774 CG2 VAL A 50 1.013 -2.782 -2.143 1.00 0.44 C ATOM 0 H VAL A 50 3.115 -3.527 1.171 1.00 0.44 H new ATOM 0 HA VAL A 50 0.389 -2.888 0.496 1.00 0.33 H new ATOM 0 HB VAL A 50 2.422 -2.035 -0.689 1.00 0.42 H new ATOM 0 HG11 VAL A 50 3.632 -3.553 -2.227 1.00 0.47 H new ATOM 0 HG12 VAL A 50 3.769 -4.106 -0.540 1.00 0.47 H new ATOM 0 HG13 VAL A 50 2.645 -4.920 -1.656 1.00 0.47 H new ATOM 0 HG21 VAL A 50 1.560 -2.378 -2.994 1.00 0.44 H new ATOM 0 HG22 VAL A 50 0.566 -3.737 -2.420 1.00 0.44 H new ATOM 0 HG23 VAL A 50 0.228 -2.084 -1.852 1.00 0.44 H new ATOM 784 N GLU A 51 1.331 -5.981 0.030 1.00 0.43 N ATOM 785 CA GLU A 51 0.766 -7.306 -0.347 1.00 0.53 C ATOM 786 C GLU A 51 -0.513 -7.520 0.458 1.00 0.49 C ATOM 787 O GLU A 51 -1.490 -8.055 -0.029 1.00 0.62 O ATOM 788 CB GLU A 51 1.784 -8.417 -0.045 1.00 0.66 C ATOM 789 CG GLU A 51 1.929 -8.618 1.468 1.00 1.57 C ATOM 790 CD GLU A 51 3.088 -9.579 1.746 1.00 1.95 C ATOM 791 OE1 GLU A 51 2.841 -10.772 1.802 1.00 2.14 O ATOM 792 OE2 GLU A 51 4.203 -9.107 1.895 1.00 2.64 O ATOM 0 H GLU A 51 2.270 -5.998 0.429 1.00 0.43 H new ATOM 0 HA GLU A 51 0.543 -7.335 -1.414 1.00 0.53 H new ATOM 0 HB2 GLU A 51 1.464 -9.348 -0.512 1.00 0.66 H new ATOM 0 HB3 GLU A 51 2.751 -8.159 -0.478 1.00 0.66 H new ATOM 0 HG2 GLU A 51 2.111 -7.661 1.957 1.00 1.57 H new ATOM 0 HG3 GLU A 51 1.004 -9.017 1.883 1.00 1.57 H new ATOM 799 N GLY A 52 -0.513 -7.087 1.685 1.00 0.40 N ATOM 800 CA GLY A 52 -1.724 -7.236 2.531 1.00 0.41 C ATOM 801 C GLY A 52 -2.773 -6.205 2.104 1.00 0.31 C ATOM 802 O GLY A 52 -3.961 -6.429 2.229 1.00 0.35 O ATOM 0 H GLY A 52 0.279 -6.634 2.140 1.00 0.40 H new ATOM 0 HA2 GLY A 52 -2.128 -8.244 2.433 1.00 0.41 H new ATOM 0 HA3 GLY A 52 -1.467 -7.096 3.581 1.00 0.41 H new ATOM 806 N VAL A 53 -2.347 -5.070 1.606 1.00 0.22 N ATOM 807 CA VAL A 53 -3.331 -4.031 1.184 1.00 0.15 C ATOM 808 C VAL A 53 -4.225 -4.585 0.069 1.00 0.14 C ATOM 809 O VAL A 53 -5.435 -4.488 0.126 1.00 0.17 O ATOM 810 CB VAL A 53 -2.579 -2.794 0.675 1.00 0.14 C ATOM 811 CG1 VAL A 53 -3.556 -1.820 0.010 1.00 0.19 C ATOM 812 CG2 VAL A 53 -1.889 -2.098 1.854 1.00 0.14 C ATOM 0 H VAL A 53 -1.367 -4.821 1.475 1.00 0.22 H new ATOM 0 HA VAL A 53 -3.952 -3.755 2.036 1.00 0.15 H new ATOM 0 HB VAL A 53 -1.834 -3.106 -0.057 1.00 0.14 H new ATOM 0 HG11 VAL A 53 -3.012 -0.946 -0.347 1.00 0.19 H new ATOM 0 HG12 VAL A 53 -4.045 -2.312 -0.831 1.00 0.19 H new ATOM 0 HG13 VAL A 53 -4.308 -1.508 0.734 1.00 0.19 H new ATOM 0 HG21 VAL A 53 -1.354 -1.219 1.495 1.00 0.14 H new ATOM 0 HG22 VAL A 53 -2.638 -1.794 2.586 1.00 0.14 H new ATOM 0 HG23 VAL A 53 -1.184 -2.786 2.321 1.00 0.14 H new ATOM 822 N LYS A 54 -3.641 -5.155 -0.948 1.00 0.18 N ATOM 823 CA LYS A 54 -4.462 -5.703 -2.064 1.00 0.21 C ATOM 824 C LYS A 54 -5.326 -6.853 -1.542 1.00 0.20 C ATOM 825 O LYS A 54 -6.475 -6.996 -1.908 1.00 0.21 O ATOM 826 CB LYS A 54 -3.538 -6.221 -3.173 1.00 0.26 C ATOM 827 CG LYS A 54 -2.826 -5.048 -3.868 1.00 0.30 C ATOM 828 CD LYS A 54 -3.753 -4.378 -4.893 1.00 0.78 C ATOM 829 CE LYS A 54 -2.945 -3.389 -5.736 1.00 1.14 C ATOM 830 NZ LYS A 54 -1.828 -4.109 -6.411 1.00 1.73 N ATOM 0 H LYS A 54 -2.633 -5.265 -1.055 1.00 0.18 H new ATOM 0 HA LYS A 54 -5.103 -4.917 -2.464 1.00 0.21 H new ATOM 0 HB2 LYS A 54 -2.801 -6.904 -2.751 1.00 0.26 H new ATOM 0 HB3 LYS A 54 -4.117 -6.787 -3.903 1.00 0.26 H new ATOM 0 HG2 LYS A 54 -2.510 -4.317 -3.124 1.00 0.30 H new ATOM 0 HG3 LYS A 54 -1.925 -5.407 -4.366 1.00 0.30 H new ATOM 0 HD2 LYS A 54 -4.210 -5.132 -5.534 1.00 0.78 H new ATOM 0 HD3 LYS A 54 -4.565 -3.860 -4.382 1.00 0.78 H new ATOM 0 HE2 LYS A 54 -3.589 -2.917 -6.478 1.00 1.14 H new ATOM 0 HE3 LYS A 54 -2.550 -2.594 -5.104 1.00 1.14 H new ATOM 0 HZ1 LYS A 54 -1.574 -3.611 -7.288 1.00 1.73 H new ATOM 0 HZ2 LYS A 54 -1.003 -4.140 -5.779 1.00 1.73 H new ATOM 0 HZ3 LYS A 54 -2.127 -5.079 -6.638 1.00 1.73 H new ATOM 844 N ALA A 55 -4.779 -7.673 -0.690 1.00 0.22 N ATOM 845 CA ALA A 55 -5.560 -8.817 -0.142 1.00 0.23 C ATOM 846 C ALA A 55 -6.654 -8.292 0.794 1.00 0.20 C ATOM 847 O ALA A 55 -7.727 -8.853 0.891 1.00 0.19 O ATOM 848 CB ALA A 55 -4.627 -9.742 0.641 1.00 0.30 C ATOM 0 H ALA A 55 -3.821 -7.600 -0.348 1.00 0.22 H new ATOM 0 HA ALA A 55 -6.018 -9.368 -0.964 1.00 0.23 H new ATOM 0 HB1 ALA A 55 -5.198 -10.579 1.042 1.00 0.30 H new ATOM 0 HB2 ALA A 55 -3.848 -10.118 -0.022 1.00 0.30 H new ATOM 0 HB3 ALA A 55 -4.170 -9.188 1.461 1.00 0.30 H new ATOM 854 N LEU A 56 -6.385 -7.223 1.489 1.00 0.20 N ATOM 855 CA LEU A 56 -7.397 -6.662 2.423 1.00 0.21 C ATOM 856 C LEU A 56 -8.654 -6.284 1.635 1.00 0.18 C ATOM 857 O LEU A 56 -9.753 -6.667 1.981 1.00 0.19 O ATOM 858 CB LEU A 56 -6.802 -5.436 3.123 1.00 0.26 C ATOM 859 CG LEU A 56 -7.838 -4.785 4.048 1.00 0.30 C ATOM 860 CD1 LEU A 56 -8.357 -5.804 5.074 1.00 0.34 C ATOM 861 CD2 LEU A 56 -7.177 -3.618 4.784 1.00 0.46 C ATOM 0 H LEU A 56 -5.503 -6.712 1.449 1.00 0.20 H new ATOM 0 HA LEU A 56 -7.670 -7.399 3.178 1.00 0.21 H new ATOM 0 HB2 LEU A 56 -5.925 -5.730 3.700 1.00 0.26 H new ATOM 0 HB3 LEU A 56 -6.466 -4.713 2.379 1.00 0.26 H new ATOM 0 HG LEU A 56 -8.679 -4.430 3.452 1.00 0.30 H new ATOM 0 HD11 LEU A 56 -9.091 -5.326 5.722 1.00 0.34 H new ATOM 0 HD12 LEU A 56 -8.823 -6.640 4.553 1.00 0.34 H new ATOM 0 HD13 LEU A 56 -7.525 -6.170 5.676 1.00 0.34 H new ATOM 0 HD21 LEU A 56 -7.904 -3.146 5.445 1.00 0.46 H new ATOM 0 HD22 LEU A 56 -6.337 -3.988 5.372 1.00 0.46 H new ATOM 0 HD23 LEU A 56 -6.818 -2.887 4.059 1.00 0.46 H new ATOM 873 N ILE A 57 -8.498 -5.559 0.563 1.00 0.16 N ATOM 874 CA ILE A 57 -9.680 -5.188 -0.263 1.00 0.17 C ATOM 875 C ILE A 57 -10.271 -6.475 -0.845 1.00 0.17 C ATOM 876 O ILE A 57 -11.469 -6.604 -1.003 1.00 0.20 O ATOM 877 CB ILE A 57 -9.236 -4.244 -1.400 1.00 0.18 C ATOM 878 CG1 ILE A 57 -9.210 -2.789 -0.902 1.00 0.19 C ATOM 879 CG2 ILE A 57 -10.195 -4.336 -2.596 1.00 0.23 C ATOM 880 CD1 ILE A 57 -8.217 -2.625 0.250 1.00 0.21 C ATOM 0 H ILE A 57 -7.603 -5.207 0.223 1.00 0.16 H new ATOM 0 HA ILE A 57 -10.428 -4.674 0.341 1.00 0.17 H new ATOM 0 HB ILE A 57 -8.238 -4.550 -1.714 1.00 0.18 H new ATOM 0 HG12 ILE A 57 -8.936 -2.125 -1.721 1.00 0.19 H new ATOM 0 HG13 ILE A 57 -10.207 -2.495 -0.573 1.00 0.19 H new ATOM 0 HG21 ILE A 57 -9.860 -3.661 -3.384 1.00 0.23 H new ATOM 0 HG22 ILE A 57 -10.207 -5.358 -2.975 1.00 0.23 H new ATOM 0 HG23 ILE A 57 -11.199 -4.054 -2.280 1.00 0.23 H new ATOM 0 HD11 ILE A 57 -8.216 -1.588 0.585 1.00 0.21 H new ATOM 0 HD12 ILE A 57 -8.508 -3.273 1.077 1.00 0.21 H new ATOM 0 HD13 ILE A 57 -7.218 -2.897 -0.090 1.00 0.21 H new ATOM 892 N ASP A 58 -9.436 -7.419 -1.179 1.00 0.16 N ATOM 893 CA ASP A 58 -9.955 -8.686 -1.765 1.00 0.19 C ATOM 894 C ASP A 58 -10.899 -9.349 -0.765 1.00 0.19 C ATOM 895 O ASP A 58 -11.935 -9.868 -1.129 1.00 0.22 O ATOM 896 CB ASP A 58 -8.787 -9.629 -2.066 1.00 0.21 C ATOM 897 CG ASP A 58 -9.313 -10.923 -2.691 1.00 0.50 C ATOM 898 OD1 ASP A 58 -10.508 -11.157 -2.607 1.00 1.17 O ATOM 899 OD2 ASP A 58 -8.512 -11.659 -3.241 1.00 1.11 O ATOM 0 H ASP A 58 -8.423 -7.369 -1.072 1.00 0.16 H new ATOM 0 HA ASP A 58 -10.490 -8.470 -2.690 1.00 0.19 H new ATOM 0 HB2 ASP A 58 -8.084 -9.146 -2.745 1.00 0.21 H new ATOM 0 HB3 ASP A 58 -8.243 -9.853 -1.149 1.00 0.21 H new ATOM 904 N GLU A 59 -10.564 -9.321 0.495 1.00 0.18 N ATOM 905 CA GLU A 59 -11.467 -9.937 1.508 1.00 0.21 C ATOM 906 C GLU A 59 -12.722 -9.082 1.627 1.00 0.24 C ATOM 907 O GLU A 59 -13.824 -9.580 1.743 1.00 0.30 O ATOM 908 CB GLU A 59 -10.761 -10.011 2.864 1.00 0.23 C ATOM 909 CG GLU A 59 -9.645 -11.055 2.806 1.00 0.25 C ATOM 910 CD GLU A 59 -8.941 -11.127 4.163 1.00 0.38 C ATOM 911 OE1 GLU A 59 -9.194 -10.264 4.986 1.00 0.98 O ATOM 912 OE2 GLU A 59 -8.168 -12.050 4.358 1.00 1.04 O ATOM 0 H GLU A 59 -9.711 -8.902 0.865 1.00 0.18 H new ATOM 0 HA GLU A 59 -11.732 -10.948 1.198 1.00 0.21 H new ATOM 0 HB2 GLU A 59 -10.348 -9.036 3.124 1.00 0.23 H new ATOM 0 HB3 GLU A 59 -11.476 -10.272 3.644 1.00 0.23 H new ATOM 0 HG2 GLU A 59 -10.058 -12.030 2.547 1.00 0.25 H new ATOM 0 HG3 GLU A 59 -8.929 -10.794 2.027 1.00 0.25 H new ATOM 919 N ILE A 60 -12.555 -7.791 1.594 1.00 0.23 N ATOM 920 CA ILE A 60 -13.725 -6.886 1.702 1.00 0.27 C ATOM 921 C ILE A 60 -14.590 -7.018 0.447 1.00 0.28 C ATOM 922 O ILE A 60 -15.791 -7.188 0.522 1.00 0.33 O ATOM 923 CB ILE A 60 -13.231 -5.449 1.848 1.00 0.28 C ATOM 924 CG1 ILE A 60 -12.425 -5.329 3.146 1.00 0.29 C ATOM 925 CG2 ILE A 60 -14.425 -4.496 1.896 1.00 0.33 C ATOM 926 CD1 ILE A 60 -11.678 -3.993 3.175 1.00 0.27 C ATOM 0 H ILE A 60 -11.654 -7.324 1.496 1.00 0.23 H new ATOM 0 HA ILE A 60 -14.323 -7.154 2.573 1.00 0.27 H new ATOM 0 HB ILE A 60 -12.602 -5.189 0.997 1.00 0.28 H new ATOM 0 HG12 ILE A 60 -13.091 -5.402 4.006 1.00 0.29 H new ATOM 0 HG13 ILE A 60 -11.716 -6.154 3.221 1.00 0.29 H new ATOM 0 HG21 ILE A 60 -14.069 -3.471 2.000 1.00 0.33 H new ATOM 0 HG22 ILE A 60 -15.001 -4.588 0.975 1.00 0.33 H new ATOM 0 HG23 ILE A 60 -15.058 -4.748 2.747 1.00 0.33 H new ATOM 0 HD11 ILE A 60 -11.108 -3.915 4.101 1.00 0.27 H new ATOM 0 HD12 ILE A 60 -10.999 -3.937 2.324 1.00 0.27 H new ATOM 0 HD13 ILE A 60 -12.395 -3.174 3.121 1.00 0.27 H new ATOM 938 N LEU A 61 -13.985 -6.955 -0.709 1.00 0.25 N ATOM 939 CA LEU A 61 -14.769 -7.089 -1.968 1.00 0.30 C ATOM 940 C LEU A 61 -15.264 -8.532 -2.114 1.00 0.33 C ATOM 941 O LEU A 61 -16.307 -8.783 -2.683 1.00 0.46 O ATOM 942 CB LEU A 61 -13.893 -6.703 -3.174 1.00 0.29 C ATOM 943 CG LEU A 61 -13.834 -5.171 -3.328 1.00 0.32 C ATOM 944 CD1 LEU A 61 -12.825 -4.808 -4.432 1.00 1.15 C ATOM 945 CD2 LEU A 61 -15.230 -4.608 -3.694 1.00 1.27 C ATOM 0 H LEU A 61 -12.982 -6.817 -0.834 1.00 0.25 H new ATOM 0 HA LEU A 61 -15.629 -6.420 -1.931 1.00 0.30 H new ATOM 0 HB2 LEU A 61 -12.887 -7.100 -3.042 1.00 0.29 H new ATOM 0 HB3 LEU A 61 -14.296 -7.151 -4.082 1.00 0.29 H new ATOM 0 HG LEU A 61 -13.519 -4.733 -2.381 1.00 0.32 H new ATOM 0 HD11 LEU A 61 -12.781 -3.725 -4.543 1.00 1.15 H new ATOM 0 HD12 LEU A 61 -11.839 -5.185 -4.162 1.00 1.15 H new ATOM 0 HD13 LEU A 61 -13.139 -5.257 -5.374 1.00 1.15 H new ATOM 0 HD21 LEU A 61 -15.169 -3.525 -3.799 1.00 1.27 H new ATOM 0 HD22 LEU A 61 -15.563 -5.045 -4.635 1.00 1.27 H new ATOM 0 HD23 LEU A 61 -15.941 -4.857 -2.906 1.00 1.27 H new ATOM 957 N ALA A 62 -14.530 -9.480 -1.602 1.00 0.28 N ATOM 958 CA ALA A 62 -14.971 -10.900 -1.711 1.00 0.32 C ATOM 959 C ALA A 62 -16.030 -11.171 -0.644 1.00 0.37 C ATOM 960 O ALA A 62 -16.680 -12.199 -0.642 1.00 0.48 O ATOM 961 CB ALA A 62 -13.775 -11.827 -1.489 1.00 0.31 C ATOM 0 H ALA A 62 -13.646 -9.335 -1.114 1.00 0.28 H new ATOM 0 HA ALA A 62 -15.387 -11.083 -2.702 1.00 0.32 H new ATOM 0 HB1 ALA A 62 -14.099 -12.865 -1.569 1.00 0.31 H new ATOM 0 HB2 ALA A 62 -13.014 -11.626 -2.243 1.00 0.31 H new ATOM 0 HB3 ALA A 62 -13.359 -11.652 -0.497 1.00 0.31 H new ATOM 967 N ALA A 63 -16.211 -10.251 0.265 1.00 0.41 N ATOM 968 CA ALA A 63 -17.230 -10.437 1.338 1.00 0.50 C ATOM 969 C ALA A 63 -17.785 -9.071 1.743 1.00 0.70 C ATOM 970 O ALA A 63 -17.574 -8.603 2.845 1.00 1.15 O ATOM 971 CB ALA A 63 -16.578 -11.103 2.551 1.00 0.72 C ATOM 0 H ALA A 63 -15.693 -9.373 0.310 1.00 0.41 H new ATOM 0 HA ALA A 63 -18.039 -11.069 0.971 1.00 0.50 H new ATOM 0 HB1 ALA A 63 -17.323 -11.239 3.335 1.00 0.72 H new ATOM 0 HB2 ALA A 63 -16.175 -12.073 2.261 1.00 0.72 H new ATOM 0 HB3 ALA A 63 -15.771 -10.472 2.923 1.00 0.72 H new ATOM 977 N LEU A 64 -18.493 -8.425 0.858 1.00 0.59 N ATOM 978 CA LEU A 64 -19.062 -7.088 1.189 1.00 0.85 C ATOM 979 C LEU A 64 -20.115 -7.250 2.301 1.00 1.41 C ATOM 980 O LEU A 64 -20.751 -8.281 2.394 1.00 1.62 O ATOM 981 CB LEU A 64 -19.731 -6.501 -0.064 1.00 0.65 C ATOM 982 CG LEU A 64 -18.664 -5.954 -1.035 1.00 0.53 C ATOM 983 CD1 LEU A 64 -19.230 -5.925 -2.459 1.00 0.68 C ATOM 984 CD2 LEU A 64 -18.259 -4.528 -0.635 1.00 0.84 C ATOM 0 H LEU A 64 -18.702 -8.765 -0.081 1.00 0.59 H new ATOM 0 HA LEU A 64 -18.269 -6.421 1.528 1.00 0.85 H new ATOM 0 HB2 LEU A 64 -20.325 -7.268 -0.561 1.00 0.65 H new ATOM 0 HB3 LEU A 64 -20.416 -5.703 0.221 1.00 0.65 H new ATOM 0 HG LEU A 64 -17.790 -6.604 -0.992 1.00 0.53 H new ATOM 0 HD11 LEU A 64 -18.475 -5.538 -3.143 1.00 0.68 H new ATOM 0 HD12 LEU A 64 -19.509 -6.935 -2.760 1.00 0.68 H new ATOM 0 HD13 LEU A 64 -20.109 -5.281 -2.488 1.00 0.68 H new ATOM 0 HD21 LEU A 64 -17.506 -4.155 -1.329 1.00 0.84 H new ATOM 0 HD22 LEU A 64 -19.134 -3.879 -0.666 1.00 0.84 H new ATOM 0 HD23 LEU A 64 -17.849 -4.536 0.375 1.00 0.84 H new ATOM 996 N PRO A 65 -20.310 -6.253 3.143 1.00 1.85 N ATOM 997 CA PRO A 65 -21.318 -6.364 4.233 1.00 2.43 C ATOM 998 C PRO A 65 -22.661 -6.911 3.726 1.00 2.62 C ATOM 999 O PRO A 65 -23.400 -7.454 4.532 1.00 2.81 O ATOM 1000 CB PRO A 65 -21.444 -4.905 4.723 1.00 2.89 C ATOM 1001 CG PRO A 65 -20.331 -4.067 4.055 1.00 2.69 C ATOM 1002 CD PRO A 65 -19.559 -4.968 3.073 1.00 2.01 C ATOM 1003 OXT PRO A 65 -22.924 -6.778 2.543 1.00 3.05 O ATOM 0 HA PRO A 65 -21.025 -7.062 5.017 1.00 2.43 H new ATOM 0 HB2 PRO A 65 -22.425 -4.503 4.469 1.00 2.89 H new ATOM 0 HB3 PRO A 65 -21.352 -4.860 5.808 1.00 2.89 H new ATOM 0 HG2 PRO A 65 -20.763 -3.216 3.528 1.00 2.69 H new ATOM 0 HG3 PRO A 65 -19.656 -3.665 4.810 1.00 2.69 H new ATOM 0 HD2 PRO A 65 -19.555 -4.556 2.064 1.00 2.01 H new ATOM 0 HD3 PRO A 65 -18.518 -5.091 3.371 1.00 2.01 H new TER 1011 PRO A 65