USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=12 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 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -130:sc= 0.0476 (180deg=-0.575) USER MOD Single : A 2 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.036) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 11 HIS : no HD1:sc= -0.0646 K(o=-0.065,f=-0.77) USER MOD Single : A 18 ASN : amide:sc= -1.91! K(o=-1.9!,f=-0.047) USER MOD Single : A 19 SER OG : rot -86:sc= 1.17 USER MOD Single : A 24 LYS NZ :NH3+ -169:sc= -2.8! (180deg=-3.38!) USER MOD Single : A 28 ASN : amide:sc= -1.71! K(o=-1.7!,f=-0.11) 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 87:sc= -4.02! 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+ -132:sc= -0.185 (180deg=-1.15!) USER MOD Single : A 42 ASN : amide:sc= -0.0512 K(o=-0.051,f=-1.6!) USER MOD Single : A 45 ASN : amide:sc= -0.0513 K(o=-0.051,f=-2.1!) USER MOD Single : A 46 ASN : amide:sc= -0.045 K(o=-0.045,f=-1.8!) USER MOD Single : A 48 LYS NZ :NH3+ -118:sc= -1.19 (180deg=-3.24!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -127:sc= -2.29 (180deg=-4.94!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.590 -13.436 -8.376 1.00 21.30 N ATOM 2 CA MET A 1 33.163 -14.742 -8.806 1.00 21.02 C ATOM 3 C MET A 1 32.955 -15.777 -7.695 1.00 20.37 C ATOM 4 O MET A 1 32.229 -15.544 -6.750 1.00 20.39 O ATOM 5 CB MET A 1 34.655 -14.567 -9.091 1.00 21.44 C ATOM 6 CG MET A 1 34.825 -13.691 -10.336 1.00 21.88 C ATOM 7 SD MET A 1 36.581 -13.363 -10.622 1.00 22.37 S ATOM 8 CE MET A 1 36.380 -12.398 -12.140 1.00 22.77 C ATOM 0 H1 MET A 1 31.971 -13.065 -9.125 1.00 21.30 H new ATOM 0 H2 MET A 1 32.038 -13.569 -7.505 1.00 21.30 H new ATOM 0 H3 MET A 1 33.361 -12.761 -8.198 1.00 21.30 H new ATOM 0 HA MET A 1 32.664 -15.088 -9.712 1.00 21.02 H new ATOM 0 HB2 MET A 1 35.150 -14.107 -8.236 1.00 21.44 H new ATOM 0 HB3 MET A 1 35.125 -15.538 -9.247 1.00 21.44 H new ATOM 0 HG2 MET A 1 34.393 -14.189 -11.204 1.00 21.88 H new ATOM 0 HG3 MET A 1 34.287 -12.752 -10.207 1.00 21.88 H new ATOM 0 HE1 MET A 1 37.358 -12.083 -12.503 1.00 22.77 H new ATOM 0 HE2 MET A 1 35.891 -13.010 -12.898 1.00 22.77 H new ATOM 0 HE3 MET A 1 35.770 -11.519 -11.934 1.00 22.77 H new ATOM 20 N LYS A 2 33.580 -16.919 -7.798 1.00 19.90 N ATOM 21 CA LYS A 2 33.399 -17.960 -6.741 1.00 19.38 C ATOM 22 C LYS A 2 34.285 -17.627 -5.532 1.00 18.83 C ATOM 23 O LYS A 2 34.160 -18.222 -4.479 1.00 18.89 O ATOM 24 CB LYS A 2 33.755 -19.354 -7.300 1.00 19.49 C ATOM 25 CG LYS A 2 34.847 -19.242 -8.373 1.00 19.58 C ATOM 26 CD LYS A 2 36.092 -18.562 -7.788 1.00 19.81 C ATOM 27 CE LYS A 2 37.324 -18.902 -8.636 1.00 19.99 C ATOM 28 NZ LYS A 2 37.178 -18.308 -9.995 1.00 20.19 N ATOM 0 H LYS A 2 34.204 -17.177 -8.562 1.00 19.90 H new ATOM 0 HA LYS A 2 32.356 -17.972 -6.424 1.00 19.38 H new ATOM 0 HB2 LYS A 2 34.097 -20.000 -6.491 1.00 19.49 H new ATOM 0 HB3 LYS A 2 32.866 -19.819 -7.725 1.00 19.49 H new ATOM 0 HG2 LYS A 2 35.105 -20.233 -8.745 1.00 19.58 H new ATOM 0 HG3 LYS A 2 34.476 -18.669 -9.223 1.00 19.58 H new ATOM 0 HD2 LYS A 2 35.947 -17.482 -7.760 1.00 19.81 H new ATOM 0 HD3 LYS A 2 36.246 -18.890 -6.760 1.00 19.81 H new ATOM 0 HE2 LYS A 2 38.225 -18.519 -8.156 1.00 19.99 H new ATOM 0 HE3 LYS A 2 37.438 -19.983 -8.712 1.00 19.99 H new ATOM 0 HZ1 LYS A 2 38.073 -18.408 -10.515 1.00 20.19 H new ATOM 0 HZ2 LYS A 2 36.421 -18.801 -10.510 1.00 20.19 H new ATOM 0 HZ3 LYS A 2 36.938 -17.300 -9.909 1.00 20.19 H new ATOM 42 N ALA A 3 35.171 -16.679 -5.670 1.00 18.43 N ATOM 43 CA ALA A 3 36.051 -16.309 -4.523 1.00 18.03 C ATOM 44 C ALA A 3 35.194 -15.725 -3.395 1.00 17.59 C ATOM 45 O ALA A 3 35.298 -16.122 -2.252 1.00 17.73 O ATOM 46 CB ALA A 3 37.069 -15.261 -4.982 1.00 18.23 C ATOM 0 H ALA A 3 35.324 -16.145 -6.525 1.00 18.43 H new ATOM 0 HA ALA A 3 36.575 -17.194 -4.163 1.00 18.03 H new ATOM 0 HB1 ALA A 3 37.713 -14.989 -4.146 1.00 18.23 H new ATOM 0 HB2 ALA A 3 37.676 -15.672 -5.789 1.00 18.23 H new ATOM 0 HB3 ALA A 3 36.544 -14.375 -5.338 1.00 18.23 H new ATOM 52 N ILE A 4 34.348 -14.779 -3.723 1.00 17.22 N ATOM 53 CA ILE A 4 33.460 -14.136 -2.701 1.00 16.95 C ATOM 54 C ILE A 4 31.996 -14.337 -3.101 1.00 16.44 C ATOM 55 O ILE A 4 31.617 -14.080 -4.226 1.00 16.48 O ATOM 56 CB ILE A 4 33.763 -12.638 -2.636 1.00 17.23 C ATOM 57 CG1 ILE A 4 35.230 -12.431 -2.242 1.00 17.55 C ATOM 58 CG2 ILE A 4 32.856 -11.980 -1.595 1.00 17.35 C ATOM 59 CD1 ILE A 4 35.613 -10.957 -2.414 1.00 17.72 C ATOM 0 H ILE A 4 34.233 -14.419 -4.670 1.00 17.22 H new ATOM 0 HA ILE A 4 33.639 -14.589 -1.726 1.00 16.95 H new ATOM 0 HB ILE A 4 33.582 -12.187 -3.612 1.00 17.23 H new ATOM 0 HG12 ILE A 4 35.385 -12.738 -1.208 1.00 17.55 H new ATOM 0 HG13 ILE A 4 35.873 -13.057 -2.860 1.00 17.55 H new ATOM 0 HG21 ILE A 4 33.071 -10.912 -1.548 1.00 17.35 H new ATOM 0 HG22 ILE A 4 31.813 -12.128 -1.875 1.00 17.35 H new ATOM 0 HG23 ILE A 4 33.037 -12.430 -0.619 1.00 17.35 H new ATOM 0 HD11 ILE A 4 36.657 -10.817 -2.132 1.00 17.72 H new ATOM 0 HD12 ILE A 4 35.476 -10.665 -3.455 1.00 17.72 H new ATOM 0 HD13 ILE A 4 34.979 -10.340 -1.777 1.00 17.72 H new ATOM 71 N PHE A 5 31.172 -14.803 -2.191 1.00 16.11 N ATOM 72 CA PHE A 5 29.725 -15.030 -2.516 1.00 15.78 C ATOM 73 C PHE A 5 28.850 -14.325 -1.471 1.00 15.39 C ATOM 74 O PHE A 5 28.605 -14.842 -0.398 1.00 15.53 O ATOM 75 CB PHE A 5 29.453 -16.537 -2.492 1.00 15.91 C ATOM 76 CG PHE A 5 28.090 -16.831 -3.072 1.00 16.27 C ATOM 77 CD1 PHE A 5 27.932 -16.943 -4.458 1.00 16.49 C ATOM 78 CD2 PHE A 5 26.989 -17.002 -2.225 1.00 16.55 C ATOM 79 CE1 PHE A 5 26.671 -17.224 -4.999 1.00 16.98 C ATOM 80 CE2 PHE A 5 25.729 -17.284 -2.766 1.00 17.03 C ATOM 81 CZ PHE A 5 25.571 -17.395 -4.153 1.00 17.24 C ATOM 0 H PHE A 5 31.439 -15.037 -1.235 1.00 16.11 H new ATOM 0 HA PHE A 5 29.491 -14.627 -3.502 1.00 15.78 H new ATOM 0 HB2 PHE A 5 30.220 -17.061 -3.063 1.00 15.91 H new ATOM 0 HB3 PHE A 5 29.508 -16.907 -1.468 1.00 15.91 H new ATOM 0 HD1 PHE A 5 28.783 -16.813 -5.111 1.00 16.49 H new ATOM 0 HD2 PHE A 5 27.111 -16.917 -1.155 1.00 16.55 H new ATOM 0 HE1 PHE A 5 26.548 -17.309 -6.069 1.00 16.98 H new ATOM 0 HE2 PHE A 5 24.879 -17.416 -2.114 1.00 17.03 H new ATOM 0 HZ PHE A 5 24.599 -17.613 -4.570 1.00 17.24 H new ATOM 91 N VAL A 6 28.368 -13.147 -1.784 1.00 15.04 N ATOM 92 CA VAL A 6 27.497 -12.398 -0.824 1.00 14.79 C ATOM 93 C VAL A 6 26.495 -11.557 -1.616 1.00 14.55 C ATOM 94 O VAL A 6 25.531 -11.047 -1.082 1.00 14.58 O ATOM 95 CB VAL A 6 28.353 -11.468 0.041 1.00 14.86 C ATOM 96 CG1 VAL A 6 27.451 -10.704 1.014 1.00 15.09 C ATOM 97 CG2 VAL A 6 29.369 -12.292 0.832 1.00 15.03 C ATOM 0 H VAL A 6 28.541 -12.669 -2.668 1.00 15.04 H new ATOM 0 HA VAL A 6 26.973 -13.107 -0.183 1.00 14.79 H new ATOM 0 HB VAL A 6 28.880 -10.762 -0.601 1.00 14.86 H new ATOM 0 HG11 VAL A 6 28.059 -10.042 1.630 1.00 15.09 H new ATOM 0 HG12 VAL A 6 26.727 -10.114 0.452 1.00 15.09 H new ATOM 0 HG13 VAL A 6 26.924 -11.412 1.653 1.00 15.09 H new ATOM 0 HG21 VAL A 6 29.977 -11.628 1.447 1.00 15.03 H new ATOM 0 HG22 VAL A 6 28.843 -13.000 1.473 1.00 15.03 H new ATOM 0 HG23 VAL A 6 30.012 -12.837 0.141 1.00 15.03 H new ATOM 107 N LEU A 7 26.725 -11.405 -2.889 1.00 14.47 N ATOM 108 CA LEU A 7 25.804 -10.595 -3.733 1.00 14.40 C ATOM 109 C LEU A 7 24.474 -11.338 -3.891 1.00 13.90 C ATOM 110 O LEU A 7 23.470 -10.762 -4.261 1.00 13.91 O ATOM 111 CB LEU A 7 26.446 -10.373 -5.111 1.00 14.97 C ATOM 112 CG LEU A 7 27.516 -9.272 -5.019 1.00 15.35 C ATOM 113 CD1 LEU A 7 28.676 -9.753 -4.136 1.00 15.68 C ATOM 114 CD2 LEU A 7 28.051 -8.935 -6.427 1.00 15.83 C ATOM 0 H LEU A 7 27.518 -11.811 -3.385 1.00 14.47 H new ATOM 0 HA LEU A 7 25.621 -9.630 -3.260 1.00 14.40 H new ATOM 0 HB2 LEU A 7 26.896 -11.300 -5.466 1.00 14.97 H new ATOM 0 HB3 LEU A 7 25.683 -10.091 -5.836 1.00 14.97 H new ATOM 0 HG LEU A 7 27.068 -8.379 -4.582 1.00 15.35 H new ATOM 0 HD11 LEU A 7 29.433 -8.971 -4.072 1.00 15.68 H new ATOM 0 HD12 LEU A 7 28.303 -9.980 -3.137 1.00 15.68 H new ATOM 0 HD13 LEU A 7 29.117 -10.650 -4.571 1.00 15.68 H new ATOM 0 HD21 LEU A 7 28.808 -8.154 -6.351 1.00 15.83 H new ATOM 0 HD22 LEU A 7 28.493 -9.827 -6.872 1.00 15.83 H new ATOM 0 HD23 LEU A 7 27.231 -8.585 -7.054 1.00 15.83 H new ATOM 126 N ASN A 8 24.465 -12.614 -3.621 1.00 13.63 N ATOM 127 CA ASN A 8 23.208 -13.403 -3.766 1.00 13.29 C ATOM 128 C ASN A 8 22.059 -12.688 -3.053 1.00 12.82 C ATOM 129 O ASN A 8 22.200 -12.215 -1.943 1.00 12.84 O ATOM 130 CB ASN A 8 23.407 -14.782 -3.135 1.00 13.45 C ATOM 131 CG ASN A 8 22.227 -15.685 -3.493 1.00 13.72 C ATOM 132 OD1 ASN A 8 21.958 -15.920 -4.655 1.00 13.79 O ATOM 133 ND2 ASN A 8 21.507 -16.209 -2.539 1.00 14.06 N ATOM 0 H ASN A 8 25.276 -13.146 -3.305 1.00 13.63 H new ATOM 0 HA ASN A 8 22.967 -13.506 -4.824 1.00 13.29 H new ATOM 0 HB2 ASN A 8 24.338 -15.225 -3.490 1.00 13.45 H new ATOM 0 HB3 ASN A 8 23.491 -14.689 -2.052 1.00 13.45 H new ATOM 0 HD21 ASN A 8 20.719 -16.815 -2.769 1.00 14.06 H new ATOM 0 HD22 ASN A 8 21.732 -16.012 -1.564 1.00 14.06 H new ATOM 140 N ALA A 9 20.919 -12.609 -3.697 1.00 12.57 N ATOM 141 CA ALA A 9 19.733 -11.926 -3.090 1.00 12.28 C ATOM 142 C ALA A 9 18.548 -12.893 -3.053 1.00 11.84 C ATOM 143 O ALA A 9 18.315 -13.644 -3.977 1.00 12.04 O ATOM 144 CB ALA A 9 19.364 -10.710 -3.941 1.00 12.50 C ATOM 0 H ALA A 9 20.758 -12.993 -4.628 1.00 12.57 H new ATOM 0 HA ALA A 9 19.975 -11.609 -2.076 1.00 12.28 H new ATOM 0 HB1 ALA A 9 18.501 -10.208 -3.504 1.00 12.50 H new ATOM 0 HB2 ALA A 9 20.207 -10.020 -3.974 1.00 12.50 H new ATOM 0 HB3 ALA A 9 19.121 -11.034 -4.953 1.00 12.50 H new ATOM 150 N GLN A 10 17.796 -12.874 -1.987 1.00 11.42 N ATOM 151 CA GLN A 10 16.622 -13.784 -1.883 1.00 11.16 C ATOM 152 C GLN A 10 15.536 -13.309 -2.849 1.00 10.55 C ATOM 153 O GLN A 10 15.399 -12.129 -3.110 1.00 10.61 O ATOM 154 CB GLN A 10 16.092 -13.759 -0.447 1.00 11.48 C ATOM 155 CG GLN A 10 14.883 -14.690 -0.317 1.00 11.97 C ATOM 156 CD GLN A 10 14.410 -14.701 1.137 1.00 12.47 C ATOM 157 OE1 GLN A 10 15.080 -14.183 2.009 1.00 12.70 O ATOM 158 NE2 GLN A 10 13.282 -15.281 1.441 1.00 12.83 N ATOM 0 H GLN A 10 17.945 -12.266 -1.182 1.00 11.42 H new ATOM 0 HA GLN A 10 16.913 -14.803 -2.140 1.00 11.16 H new ATOM 0 HB2 GLN A 10 16.876 -14.069 0.244 1.00 11.48 H new ATOM 0 HB3 GLN A 10 15.809 -12.743 -0.173 1.00 11.48 H new ATOM 0 HG2 GLN A 10 14.078 -14.354 -0.971 1.00 11.97 H new ATOM 0 HG3 GLN A 10 15.150 -15.699 -0.633 1.00 11.97 H new ATOM 0 HE21 GLN A 10 12.719 -15.716 0.710 1.00 12.83 H new ATOM 0 HE22 GLN A 10 12.963 -15.300 2.410 1.00 12.83 H new ATOM 167 N HIS A 11 14.764 -14.211 -3.389 1.00 10.17 N ATOM 168 CA HIS A 11 13.696 -13.797 -4.340 1.00 9.77 C ATOM 169 C HIS A 11 12.687 -12.908 -3.611 1.00 9.16 C ATOM 170 O HIS A 11 11.790 -13.384 -2.945 1.00 9.25 O ATOM 171 CB HIS A 11 12.984 -15.038 -4.880 1.00 10.00 C ATOM 172 CG HIS A 11 11.929 -14.616 -5.863 1.00 10.27 C ATOM 173 ND1 HIS A 11 10.628 -14.337 -5.476 1.00 10.64 N ATOM 174 CD2 HIS A 11 11.967 -14.416 -7.221 1.00 10.49 C ATOM 175 CE1 HIS A 11 9.943 -13.987 -6.580 1.00 11.05 C ATOM 176 NE2 HIS A 11 10.711 -14.020 -7.672 1.00 10.99 N ATOM 0 H HIS A 11 14.826 -15.214 -3.213 1.00 10.17 H new ATOM 0 HA HIS A 11 14.139 -13.244 -5.168 1.00 9.77 H new ATOM 0 HB2 HIS A 11 13.701 -15.702 -5.362 1.00 10.00 H new ATOM 0 HB3 HIS A 11 12.532 -15.597 -4.061 1.00 10.00 H new ATOM 0 HD2 HIS A 11 12.839 -14.546 -7.845 1.00 10.49 H new ATOM 0 HE1 HIS A 11 8.898 -13.713 -6.583 1.00 11.05 H new ATOM 0 HE2 HIS A 11 10.436 -13.802 -8.630 1.00 10.99 H new ATOM 184 N ASP A 12 12.830 -11.615 -3.734 1.00 8.78 N ATOM 185 CA ASP A 12 11.887 -10.684 -3.050 1.00 8.41 C ATOM 186 C ASP A 12 11.804 -9.380 -3.848 1.00 7.70 C ATOM 187 O ASP A 12 12.790 -8.890 -4.360 1.00 7.84 O ATOM 188 CB ASP A 12 12.397 -10.401 -1.635 1.00 8.97 C ATOM 189 CG ASP A 12 11.363 -9.574 -0.871 1.00 9.57 C ATOM 190 OD1 ASP A 12 10.538 -8.950 -1.515 1.00 10.08 O ATOM 191 OD2 ASP A 12 11.417 -9.577 0.348 1.00 9.72 O ATOM 0 H ASP A 12 13.562 -11.162 -4.281 1.00 8.78 H new ATOM 0 HA ASP A 12 10.895 -11.133 -2.990 1.00 8.41 H new ATOM 0 HB2 ASP A 12 12.586 -11.338 -1.112 1.00 8.97 H new ATOM 0 HB3 ASP A 12 13.345 -9.865 -1.680 1.00 8.97 H new ATOM 196 N GLU A 13 10.631 -8.820 -3.965 1.00 7.20 N ATOM 197 CA GLU A 13 10.480 -7.555 -4.738 1.00 6.75 C ATOM 198 C GLU A 13 10.932 -6.373 -3.877 1.00 5.96 C ATOM 199 O GLU A 13 10.515 -6.221 -2.745 1.00 6.13 O ATOM 200 CB GLU A 13 9.009 -7.368 -5.118 1.00 7.22 C ATOM 201 CG GLU A 13 8.604 -8.419 -6.156 1.00 7.84 C ATOM 202 CD GLU A 13 7.133 -8.224 -6.530 1.00 8.59 C ATOM 203 OE1 GLU A 13 6.481 -7.416 -5.891 1.00 8.85 O ATOM 204 OE2 GLU A 13 6.681 -8.892 -7.448 1.00 9.12 O ATOM 0 H GLU A 13 9.770 -9.185 -3.558 1.00 7.20 H new ATOM 0 HA GLU A 13 11.091 -7.604 -5.639 1.00 6.75 H new ATOM 0 HB2 GLU A 13 8.381 -7.458 -4.232 1.00 7.22 H new ATOM 0 HB3 GLU A 13 8.852 -6.367 -5.520 1.00 7.22 H new ATOM 0 HG2 GLU A 13 9.231 -8.330 -7.043 1.00 7.84 H new ATOM 0 HG3 GLU A 13 8.759 -9.421 -5.755 1.00 7.84 H new ATOM 211 N ALA A 14 11.777 -5.531 -4.405 1.00 5.44 N ATOM 212 CA ALA A 14 12.250 -4.356 -3.620 1.00 4.96 C ATOM 213 C ALA A 14 11.112 -3.340 -3.506 1.00 4.30 C ATOM 214 O ALA A 14 10.404 -3.085 -4.459 1.00 4.43 O ATOM 215 CB ALA A 14 13.436 -3.714 -4.339 1.00 5.39 C ATOM 0 H ALA A 14 12.161 -5.606 -5.347 1.00 5.44 H new ATOM 0 HA ALA A 14 12.558 -4.675 -2.624 1.00 4.96 H new ATOM 0 HB1 ALA A 14 13.785 -2.854 -3.768 1.00 5.39 H new ATOM 0 HB2 ALA A 14 14.243 -4.441 -4.430 1.00 5.39 H new ATOM 0 HB3 ALA A 14 13.127 -3.389 -5.332 1.00 5.39 H new ATOM 221 N VAL A 15 10.933 -2.749 -2.348 1.00 4.01 N ATOM 222 CA VAL A 15 9.839 -1.739 -2.174 1.00 3.71 C ATOM 223 C VAL A 15 10.443 -0.336 -2.221 1.00 3.13 C ATOM 224 O VAL A 15 11.395 -0.035 -1.528 1.00 3.40 O ATOM 225 CB VAL A 15 9.153 -1.957 -0.819 1.00 4.37 C ATOM 226 CG1 VAL A 15 8.691 -3.412 -0.710 1.00 5.04 C ATOM 227 CG2 VAL A 15 10.136 -1.641 0.316 1.00 4.89 C ATOM 0 H VAL A 15 11.497 -2.922 -1.516 1.00 4.01 H new ATOM 0 HA VAL A 15 9.105 -1.850 -2.972 1.00 3.71 H new ATOM 0 HB VAL A 15 8.290 -1.295 -0.740 1.00 4.37 H new ATOM 0 HG11 VAL A 15 8.204 -3.568 0.252 1.00 5.04 H new ATOM 0 HG12 VAL A 15 7.987 -3.631 -1.513 1.00 5.04 H new ATOM 0 HG13 VAL A 15 9.553 -4.074 -0.792 1.00 5.04 H new ATOM 0 HG21 VAL A 15 9.645 -1.797 1.277 1.00 4.89 H new ATOM 0 HG22 VAL A 15 11.002 -2.298 0.240 1.00 4.89 H new ATOM 0 HG23 VAL A 15 10.460 -0.603 0.238 1.00 4.89 H new ATOM 237 N ASP A 16 9.897 0.526 -3.040 1.00 2.67 N ATOM 238 CA ASP A 16 10.430 1.920 -3.147 1.00 2.25 C ATOM 239 C ASP A 16 9.536 2.867 -2.347 1.00 2.00 C ATOM 240 O ASP A 16 8.477 2.491 -1.883 1.00 2.47 O ATOM 241 CB ASP A 16 10.441 2.346 -4.619 1.00 2.31 C ATOM 242 CG ASP A 16 9.004 2.474 -5.131 1.00 2.96 C ATOM 243 OD1 ASP A 16 8.122 1.903 -4.512 1.00 3.45 O ATOM 244 OD2 ASP A 16 8.811 3.141 -6.135 1.00 3.42 O ATOM 0 H ASP A 16 9.100 0.324 -3.643 1.00 2.67 H new ATOM 0 HA ASP A 16 11.444 1.957 -2.750 1.00 2.25 H new ATOM 0 HB2 ASP A 16 10.962 3.297 -4.728 1.00 2.31 H new ATOM 0 HB3 ASP A 16 10.986 1.614 -5.215 1.00 2.31 H new ATOM 249 N ALA A 17 9.949 4.095 -2.181 1.00 1.74 N ATOM 250 CA ALA A 17 9.114 5.062 -1.412 1.00 1.64 C ATOM 251 C ALA A 17 8.102 5.711 -2.357 1.00 1.34 C ATOM 252 O ALA A 17 8.091 6.912 -2.541 1.00 1.86 O ATOM 253 CB ALA A 17 10.010 6.142 -0.801 1.00 2.03 C ATOM 0 H ALA A 17 10.826 4.469 -2.544 1.00 1.74 H new ATOM 0 HA ALA A 17 8.588 4.538 -0.614 1.00 1.64 H new ATOM 0 HB1 ALA A 17 9.398 6.848 -0.239 1.00 2.03 H new ATOM 0 HB2 ALA A 17 10.735 5.678 -0.132 1.00 2.03 H new ATOM 0 HB3 ALA A 17 10.536 6.671 -1.596 1.00 2.03 H new ATOM 259 N ASN A 18 7.251 4.925 -2.959 1.00 0.95 N ATOM 260 CA ASN A 18 6.238 5.496 -3.893 1.00 0.77 C ATOM 261 C ASN A 18 5.132 4.469 -4.143 1.00 0.65 C ATOM 262 O ASN A 18 3.961 4.752 -3.986 1.00 1.18 O ATOM 263 CB ASN A 18 6.911 5.854 -5.220 1.00 0.93 C ATOM 264 CG ASN A 18 5.937 6.644 -6.097 1.00 1.47 C ATOM 265 OD1 ASN A 18 6.200 6.872 -7.262 1.00 2.24 O ATOM 266 ND2 ASN A 18 4.812 7.071 -5.590 1.00 1.85 N ATOM 0 H ASN A 18 7.213 3.912 -2.845 1.00 0.95 H new ATOM 0 HA ASN A 18 5.805 6.393 -3.451 1.00 0.77 H new ATOM 0 HB2 ASN A 18 7.809 6.443 -5.036 1.00 0.93 H new ATOM 0 HB3 ASN A 18 7.225 4.947 -5.736 1.00 0.93 H new ATOM 0 HD21 ASN A 18 4.157 7.594 -6.171 1.00 1.85 H new ATOM 0 HD22 ASN A 18 4.588 6.881 -4.613 1.00 1.85 H new ATOM 273 N SER A 19 5.494 3.277 -4.534 1.00 0.49 N ATOM 274 CA SER A 19 4.465 2.232 -4.796 1.00 0.33 C ATOM 275 C SER A 19 3.703 1.924 -3.505 1.00 0.29 C ATOM 276 O SER A 19 2.505 1.719 -3.515 1.00 0.28 O ATOM 277 CB SER A 19 5.143 0.961 -5.308 1.00 0.41 C ATOM 278 OG SER A 19 5.898 0.375 -4.257 1.00 0.80 O ATOM 0 H SER A 19 6.459 2.982 -4.683 1.00 0.49 H new ATOM 0 HA SER A 19 3.766 2.596 -5.549 1.00 0.33 H new ATOM 0 HB2 SER A 19 4.394 0.256 -5.670 1.00 0.41 H new ATOM 0 HB3 SER A 19 5.793 1.196 -6.151 1.00 0.41 H new ATOM 0 HG SER A 19 6.788 0.783 -4.227 1.00 0.80 H new ATOM 284 N LEU A 20 4.386 1.883 -2.392 1.00 0.31 N ATOM 285 CA LEU A 20 3.694 1.581 -1.107 1.00 0.32 C ATOM 286 C LEU A 20 2.619 2.639 -0.845 1.00 0.25 C ATOM 287 O LEU A 20 1.484 2.321 -0.554 1.00 0.23 O ATOM 288 CB LEU A 20 4.721 1.583 0.037 1.00 0.41 C ATOM 289 CG LEU A 20 4.014 1.475 1.398 1.00 0.45 C ATOM 290 CD1 LEU A 20 3.103 0.241 1.419 1.00 0.99 C ATOM 291 CD2 LEU A 20 5.071 1.344 2.500 1.00 1.09 C ATOM 0 H LEU A 20 5.390 2.045 -2.318 1.00 0.31 H new ATOM 0 HA LEU A 20 3.223 0.600 -1.165 1.00 0.32 H new ATOM 0 HB2 LEU A 20 5.413 0.750 -0.087 1.00 0.41 H new ATOM 0 HB3 LEU A 20 5.313 2.497 0.000 1.00 0.41 H new ATOM 0 HG LEU A 20 3.410 2.367 1.564 1.00 0.45 H new ATOM 0 HD11 LEU A 20 2.606 0.172 2.387 1.00 0.99 H new ATOM 0 HD12 LEU A 20 2.354 0.328 0.632 1.00 0.99 H new ATOM 0 HD13 LEU A 20 3.701 -0.655 1.253 1.00 0.99 H new ATOM 0 HD21 LEU A 20 4.578 1.267 3.469 1.00 1.09 H new ATOM 0 HD22 LEU A 20 5.670 0.450 2.325 1.00 1.09 H new ATOM 0 HD23 LEU A 20 5.717 2.222 2.490 1.00 1.09 H new ATOM 303 N ALA A 21 2.963 3.893 -0.940 1.00 0.24 N ATOM 304 CA ALA A 21 1.954 4.954 -0.691 1.00 0.22 C ATOM 305 C ALA A 21 0.928 4.971 -1.825 1.00 0.18 C ATOM 306 O ALA A 21 -0.256 5.114 -1.600 1.00 0.19 O ATOM 307 CB ALA A 21 2.653 6.315 -0.619 1.00 0.27 C ATOM 0 H ALA A 21 3.897 4.226 -1.179 1.00 0.24 H new ATOM 0 HA ALA A 21 1.446 4.751 0.252 1.00 0.22 H new ATOM 0 HB1 ALA A 21 1.913 7.095 -0.436 1.00 0.27 H new ATOM 0 HB2 ALA A 21 3.381 6.308 0.192 1.00 0.27 H new ATOM 0 HB3 ALA A 21 3.163 6.512 -1.562 1.00 0.27 H new ATOM 313 N GLU A 22 1.372 4.829 -3.041 1.00 0.18 N ATOM 314 CA GLU A 22 0.423 4.843 -4.189 1.00 0.19 C ATOM 315 C GLU A 22 -0.593 3.707 -4.042 1.00 0.18 C ATOM 316 O GLU A 22 -1.761 3.867 -4.337 1.00 0.21 O ATOM 317 CB GLU A 22 1.198 4.670 -5.497 1.00 0.24 C ATOM 318 CG GLU A 22 0.237 4.794 -6.683 1.00 0.50 C ATOM 319 CD GLU A 22 1.013 4.626 -7.990 1.00 0.68 C ATOM 320 OE1 GLU A 22 2.232 4.606 -7.935 1.00 1.15 O ATOM 321 OE2 GLU A 22 0.376 4.526 -9.026 1.00 1.27 O ATOM 0 H GLU A 22 2.353 4.704 -3.291 1.00 0.18 H new ATOM 0 HA GLU A 22 -0.106 5.796 -4.202 1.00 0.19 H new ATOM 0 HB2 GLU A 22 1.981 5.425 -5.570 1.00 0.24 H new ATOM 0 HB3 GLU A 22 1.690 3.697 -5.514 1.00 0.24 H new ATOM 0 HG2 GLU A 22 -0.544 4.037 -6.612 1.00 0.50 H new ATOM 0 HG3 GLU A 22 -0.257 5.765 -6.664 1.00 0.50 H new ATOM 328 N ALA A 23 -0.157 2.557 -3.606 1.00 0.18 N ATOM 329 CA ALA A 23 -1.101 1.414 -3.464 1.00 0.19 C ATOM 330 C ALA A 23 -2.218 1.786 -2.491 1.00 0.15 C ATOM 331 O ALA A 23 -3.380 1.541 -2.748 1.00 0.16 O ATOM 332 CB ALA A 23 -0.347 0.196 -2.923 1.00 0.23 C ATOM 0 H ALA A 23 0.809 2.360 -3.343 1.00 0.18 H new ATOM 0 HA ALA A 23 -1.531 1.179 -4.438 1.00 0.19 H new ATOM 0 HB1 ALA A 23 -1.036 -0.642 -2.818 1.00 0.23 H new ATOM 0 HB2 ALA A 23 0.451 -0.075 -3.615 1.00 0.23 H new ATOM 0 HB3 ALA A 23 0.082 0.436 -1.950 1.00 0.23 H new ATOM 338 N LYS A 24 -1.884 2.380 -1.381 1.00 0.15 N ATOM 339 CA LYS A 24 -2.943 2.766 -0.410 1.00 0.18 C ATOM 340 C LYS A 24 -3.770 3.905 -1.008 1.00 0.19 C ATOM 341 O LYS A 24 -4.977 3.941 -0.880 1.00 0.26 O ATOM 342 CB LYS A 24 -2.294 3.225 0.896 1.00 0.22 C ATOM 343 CG LYS A 24 -1.669 2.015 1.597 1.00 0.21 C ATOM 344 CD LYS A 24 -1.155 2.419 2.984 1.00 0.27 C ATOM 345 CE LYS A 24 0.020 3.396 2.862 1.00 0.53 C ATOM 346 NZ LYS A 24 0.953 2.943 1.789 1.00 1.23 N ATOM 0 H LYS A 24 -0.930 2.614 -1.105 1.00 0.15 H new ATOM 0 HA LYS A 24 -3.590 1.913 -0.204 1.00 0.18 H new ATOM 0 HB2 LYS A 24 -1.532 3.977 0.693 1.00 0.22 H new ATOM 0 HB3 LYS A 24 -3.038 3.691 1.542 1.00 0.22 H new ATOM 0 HG2 LYS A 24 -2.407 1.218 1.692 1.00 0.21 H new ATOM 0 HG3 LYS A 24 -0.849 1.621 0.997 1.00 0.21 H new ATOM 0 HD2 LYS A 24 -1.960 2.880 3.556 1.00 0.27 H new ATOM 0 HD3 LYS A 24 -0.841 1.532 3.534 1.00 0.27 H new ATOM 0 HE2 LYS A 24 -0.350 4.396 2.635 1.00 0.53 H new ATOM 0 HE3 LYS A 24 0.550 3.460 3.812 1.00 0.53 H new ATOM 0 HZ1 LYS A 24 1.832 3.497 1.836 1.00 1.23 H new ATOM 0 HZ2 LYS A 24 1.172 1.935 1.922 1.00 1.23 H new ATOM 0 HZ3 LYS A 24 0.506 3.081 0.860 1.00 1.23 H new ATOM 360 N VAL A 25 -3.131 4.835 -1.669 1.00 0.19 N ATOM 361 CA VAL A 25 -3.889 5.964 -2.278 1.00 0.23 C ATOM 362 C VAL A 25 -4.850 5.409 -3.336 1.00 0.24 C ATOM 363 O VAL A 25 -6.025 5.722 -3.344 1.00 0.27 O ATOM 364 CB VAL A 25 -2.911 6.951 -2.930 1.00 0.27 C ATOM 365 CG1 VAL A 25 -3.679 7.986 -3.758 1.00 0.34 C ATOM 366 CG2 VAL A 25 -2.112 7.672 -1.841 1.00 0.29 C ATOM 0 H VAL A 25 -2.121 4.860 -1.812 1.00 0.19 H new ATOM 0 HA VAL A 25 -4.456 6.485 -1.507 1.00 0.23 H new ATOM 0 HB VAL A 25 -2.235 6.399 -3.583 1.00 0.27 H new ATOM 0 HG11 VAL A 25 -2.975 8.681 -4.216 1.00 0.34 H new ATOM 0 HG12 VAL A 25 -4.247 7.479 -4.538 1.00 0.34 H new ATOM 0 HG13 VAL A 25 -4.362 8.536 -3.110 1.00 0.34 H new ATOM 0 HG21 VAL A 25 -1.417 8.373 -2.303 1.00 0.29 H new ATOM 0 HG22 VAL A 25 -2.795 8.215 -1.188 1.00 0.29 H new ATOM 0 HG23 VAL A 25 -1.554 6.942 -1.255 1.00 0.29 H new ATOM 376 N LEU A 26 -4.362 4.587 -4.229 1.00 0.22 N ATOM 377 CA LEU A 26 -5.254 4.016 -5.279 1.00 0.25 C ATOM 378 C LEU A 26 -6.327 3.154 -4.612 1.00 0.23 C ATOM 379 O LEU A 26 -7.477 3.163 -5.001 1.00 0.28 O ATOM 380 CB LEU A 26 -4.438 3.148 -6.249 1.00 0.26 C ATOM 381 CG LEU A 26 -3.514 4.021 -7.114 1.00 0.31 C ATOM 382 CD1 LEU A 26 -2.619 3.106 -7.959 1.00 0.73 C ATOM 383 CD2 LEU A 26 -4.342 4.931 -8.044 1.00 0.78 C ATOM 0 H LEU A 26 -3.388 4.288 -4.276 1.00 0.22 H new ATOM 0 HA LEU A 26 -5.721 4.830 -5.834 1.00 0.25 H new ATOM 0 HB2 LEU A 26 -3.844 2.427 -5.688 1.00 0.26 H new ATOM 0 HB3 LEU A 26 -5.111 2.578 -6.889 1.00 0.26 H new ATOM 0 HG LEU A 26 -2.906 4.651 -6.465 1.00 0.31 H new ATOM 0 HD11 LEU A 26 -1.958 3.714 -8.578 1.00 0.73 H new ATOM 0 HD12 LEU A 26 -2.021 2.474 -7.302 1.00 0.73 H new ATOM 0 HD13 LEU A 26 -3.240 2.479 -8.599 1.00 0.73 H new ATOM 0 HD21 LEU A 26 -3.671 5.541 -8.648 1.00 0.78 H new ATOM 0 HD22 LEU A 26 -4.961 4.316 -8.698 1.00 0.78 H new ATOM 0 HD23 LEU A 26 -4.981 5.579 -7.444 1.00 0.78 H new ATOM 395 N ALA A 27 -5.957 2.407 -3.608 1.00 0.18 N ATOM 396 CA ALA A 27 -6.951 1.541 -2.915 1.00 0.18 C ATOM 397 C ALA A 27 -7.937 2.413 -2.134 1.00 0.16 C ATOM 398 O ALA A 27 -9.103 2.099 -2.025 1.00 0.19 O ATOM 399 CB ALA A 27 -6.226 0.600 -1.952 1.00 0.20 C ATOM 0 H ALA A 27 -5.008 2.359 -3.238 1.00 0.18 H new ATOM 0 HA ALA A 27 -7.496 0.954 -3.654 1.00 0.18 H new ATOM 0 HB1 ALA A 27 -6.954 -0.033 -1.445 1.00 0.20 H new ATOM 0 HB2 ALA A 27 -5.528 -0.024 -2.510 1.00 0.20 H new ATOM 0 HB3 ALA A 27 -5.679 1.186 -1.214 1.00 0.20 H new ATOM 405 N ASN A 28 -7.476 3.502 -1.582 1.00 0.15 N ATOM 406 CA ASN A 28 -8.383 4.392 -0.799 1.00 0.14 C ATOM 407 C ASN A 28 -9.517 4.892 -1.699 1.00 0.15 C ATOM 408 O ASN A 28 -10.655 4.988 -1.282 1.00 0.18 O ATOM 409 CB ASN A 28 -7.583 5.588 -0.277 1.00 0.15 C ATOM 410 CG ASN A 28 -8.465 6.428 0.647 1.00 0.17 C ATOM 411 OD1 ASN A 28 -9.139 7.338 0.203 1.00 0.22 O ATOM 412 ND2 ASN A 28 -8.485 6.163 1.925 1.00 0.22 N ATOM 0 H ASN A 28 -6.507 3.816 -1.639 1.00 0.15 H new ATOM 0 HA ASN A 28 -8.806 3.837 0.038 1.00 0.14 H new ATOM 0 HB2 ASN A 28 -6.701 5.242 0.261 1.00 0.15 H new ATOM 0 HB3 ASN A 28 -7.230 6.195 -1.111 1.00 0.15 H new ATOM 0 HD21 ASN A 28 -9.066 6.719 2.552 1.00 0.22 H new ATOM 0 HD22 ASN A 28 -7.920 5.400 2.296 1.00 0.22 H new ATOM 419 N ARG A 29 -9.218 5.222 -2.927 1.00 0.18 N ATOM 420 CA ARG A 29 -10.281 5.726 -3.846 1.00 0.22 C ATOM 421 C ARG A 29 -11.261 4.601 -4.201 1.00 0.19 C ATOM 422 O ARG A 29 -12.438 4.831 -4.379 1.00 0.21 O ATOM 423 CB ARG A 29 -9.642 6.259 -5.131 1.00 0.31 C ATOM 424 CG ARG A 29 -8.881 7.552 -4.829 1.00 1.18 C ATOM 425 CD ARG A 29 -8.437 8.201 -6.142 1.00 1.46 C ATOM 426 NE ARG A 29 -7.696 7.206 -6.967 1.00 2.22 N ATOM 427 CZ ARG A 29 -7.497 7.433 -8.237 1.00 2.79 C ATOM 428 NH1 ARG A 29 -7.954 8.527 -8.782 1.00 2.95 N ATOM 429 NH2 ARG A 29 -6.847 6.566 -8.961 1.00 3.73 N ATOM 0 H ARG A 29 -8.284 5.165 -3.334 1.00 0.18 H new ATOM 0 HA ARG A 29 -10.824 6.526 -3.342 1.00 0.22 H new ATOM 0 HB2 ARG A 29 -8.963 5.515 -5.547 1.00 0.31 H new ATOM 0 HB3 ARG A 29 -10.411 6.444 -5.881 1.00 0.31 H new ATOM 0 HG2 ARG A 29 -9.516 8.238 -4.268 1.00 1.18 H new ATOM 0 HG3 ARG A 29 -8.013 7.339 -4.205 1.00 1.18 H new ATOM 0 HD2 ARG A 29 -9.305 8.568 -6.690 1.00 1.46 H new ATOM 0 HD3 ARG A 29 -7.802 9.063 -5.937 1.00 1.46 H new ATOM 0 HE ARG A 29 -7.345 6.349 -6.540 1.00 2.22 H new ATOM 0 HH11 ARG A 29 -8.466 9.204 -8.216 1.00 2.95 H new ATOM 0 HH12 ARG A 29 -7.799 8.706 -9.774 1.00 2.95 H new ATOM 0 HH21 ARG A 29 -6.493 5.709 -8.535 1.00 3.73 H new ATOM 0 HH22 ARG A 29 -6.692 6.744 -9.953 1.00 3.73 H new ATOM 443 N GLU A 30 -10.793 3.391 -4.328 1.00 0.21 N ATOM 444 CA GLU A 30 -11.722 2.282 -4.695 1.00 0.28 C ATOM 445 C GLU A 30 -12.822 2.132 -3.647 1.00 0.27 C ATOM 446 O GLU A 30 -13.970 1.940 -3.975 1.00 0.33 O ATOM 447 CB GLU A 30 -10.946 0.969 -4.800 1.00 0.37 C ATOM 448 CG GLU A 30 -10.044 1.010 -6.030 1.00 0.60 C ATOM 449 CD GLU A 30 -9.088 -0.184 -6.005 1.00 0.64 C ATOM 450 OE1 GLU A 30 -9.167 -0.961 -5.068 1.00 1.33 O ATOM 451 OE2 GLU A 30 -8.293 -0.301 -6.924 1.00 1.39 O ATOM 0 H GLU A 30 -9.818 3.122 -4.196 1.00 0.21 H new ATOM 0 HA GLU A 30 -12.178 2.520 -5.656 1.00 0.28 H new ATOM 0 HB2 GLU A 30 -10.348 0.815 -3.902 1.00 0.37 H new ATOM 0 HB3 GLU A 30 -11.638 0.130 -4.871 1.00 0.37 H new ATOM 0 HG2 GLU A 30 -10.648 0.986 -6.937 1.00 0.60 H new ATOM 0 HG3 GLU A 30 -9.478 1.942 -6.048 1.00 0.60 H new ATOM 458 N LEU A 31 -12.495 2.226 -2.395 1.00 0.23 N ATOM 459 CA LEU A 31 -13.553 2.085 -1.357 1.00 0.28 C ATOM 460 C LEU A 31 -14.455 3.312 -1.421 1.00 0.32 C ATOM 461 O LEU A 31 -15.612 3.276 -1.053 1.00 0.43 O ATOM 462 CB LEU A 31 -12.909 1.997 0.032 1.00 0.26 C ATOM 463 CG LEU A 31 -11.662 1.124 -0.044 1.00 0.25 C ATOM 464 CD1 LEU A 31 -11.100 0.911 1.362 1.00 0.27 C ATOM 465 CD2 LEU A 31 -12.016 -0.231 -0.664 1.00 0.33 C ATOM 0 H LEU A 31 -11.552 2.393 -2.044 1.00 0.23 H new ATOM 0 HA LEU A 31 -14.132 1.179 -1.536 1.00 0.28 H new ATOM 0 HB2 LEU A 31 -12.648 2.994 0.388 1.00 0.26 H new ATOM 0 HB3 LEU A 31 -13.617 1.578 0.748 1.00 0.26 H new ATOM 0 HG LEU A 31 -10.914 1.619 -0.663 1.00 0.25 H new ATOM 0 HD11 LEU A 31 -10.208 0.287 1.307 1.00 0.27 H new ATOM 0 HD12 LEU A 31 -10.841 1.875 1.800 1.00 0.27 H new ATOM 0 HD13 LEU A 31 -11.849 0.419 1.983 1.00 0.27 H new ATOM 0 HD21 LEU A 31 -11.122 -0.852 -0.716 1.00 0.33 H new ATOM 0 HD22 LEU A 31 -12.767 -0.727 -0.049 1.00 0.33 H new ATOM 0 HD23 LEU A 31 -12.412 -0.079 -1.668 1.00 0.33 H new ATOM 477 N ASP A 32 -13.914 4.406 -1.874 1.00 0.28 N ATOM 478 CA ASP A 32 -14.703 5.659 -1.955 1.00 0.35 C ATOM 479 C ASP A 32 -15.912 5.459 -2.872 1.00 0.42 C ATOM 480 O ASP A 32 -17.007 5.882 -2.555 1.00 0.54 O ATOM 481 CB ASP A 32 -13.807 6.766 -2.506 1.00 0.38 C ATOM 482 CG ASP A 32 -14.462 8.127 -2.263 1.00 0.54 C ATOM 483 OD1 ASP A 32 -15.662 8.154 -2.048 1.00 1.12 O ATOM 484 OD2 ASP A 32 -13.751 9.118 -2.297 1.00 1.14 O ATOM 0 H ASP A 32 -12.949 4.484 -2.194 1.00 0.28 H new ATOM 0 HA ASP A 32 -15.063 5.934 -0.964 1.00 0.35 H new ATOM 0 HB2 ASP A 32 -12.830 6.730 -2.024 1.00 0.38 H new ATOM 0 HB3 ASP A 32 -13.642 6.616 -3.573 1.00 0.38 H new ATOM 489 N LYS A 33 -15.746 4.815 -4.000 1.00 0.38 N ATOM 490 CA LYS A 33 -16.925 4.608 -4.889 1.00 0.46 C ATOM 491 C LYS A 33 -17.876 3.609 -4.224 1.00 0.42 C ATOM 492 O LYS A 33 -19.079 3.775 -4.247 1.00 0.46 O ATOM 493 CB LYS A 33 -16.481 4.082 -6.261 1.00 0.58 C ATOM 494 CG LYS A 33 -15.427 2.985 -6.089 1.00 0.74 C ATOM 495 CD LYS A 33 -15.128 2.325 -7.444 1.00 1.34 C ATOM 496 CE LYS A 33 -14.229 3.234 -8.289 1.00 1.16 C ATOM 497 NZ LYS A 33 -13.749 2.481 -9.483 1.00 1.78 N ATOM 0 H LYS A 33 -14.863 4.431 -4.337 1.00 0.38 H new ATOM 0 HA LYS A 33 -17.435 5.559 -5.041 1.00 0.46 H new ATOM 0 HB2 LYS A 33 -17.341 3.689 -6.804 1.00 0.58 H new ATOM 0 HB3 LYS A 33 -16.073 4.898 -6.857 1.00 0.58 H new ATOM 0 HG2 LYS A 33 -14.513 3.409 -5.673 1.00 0.74 H new ATOM 0 HG3 LYS A 33 -15.782 2.236 -5.381 1.00 0.74 H new ATOM 0 HD2 LYS A 33 -14.641 1.363 -7.288 1.00 1.34 H new ATOM 0 HD3 LYS A 33 -16.060 2.128 -7.974 1.00 1.34 H new ATOM 0 HE2 LYS A 33 -14.780 4.121 -8.602 1.00 1.16 H new ATOM 0 HE3 LYS A 33 -13.381 3.578 -7.697 1.00 1.16 H new ATOM 0 HZ1 LYS A 33 -13.138 3.095 -10.059 1.00 1.78 H new ATOM 0 HZ2 LYS A 33 -13.209 1.648 -9.174 1.00 1.78 H new ATOM 0 HZ3 LYS A 33 -14.565 2.174 -10.051 1.00 1.78 H new ATOM 511 N TYR A 34 -17.345 2.585 -3.612 1.00 0.36 N ATOM 512 CA TYR A 34 -18.219 1.594 -2.925 1.00 0.37 C ATOM 513 C TYR A 34 -18.837 2.243 -1.681 1.00 0.33 C ATOM 514 O TYR A 34 -19.935 1.916 -1.278 1.00 0.55 O ATOM 515 CB TYR A 34 -17.405 0.356 -2.530 1.00 0.40 C ATOM 516 CG TYR A 34 -17.023 -0.419 -3.776 1.00 0.59 C ATOM 517 CD1 TYR A 34 -18.022 -1.005 -4.567 1.00 1.03 C ATOM 518 CD2 TYR A 34 -15.676 -0.553 -4.144 1.00 1.10 C ATOM 519 CE1 TYR A 34 -17.676 -1.717 -5.721 1.00 1.16 C ATOM 520 CE2 TYR A 34 -15.332 -1.266 -5.298 1.00 1.25 C ATOM 521 CZ TYR A 34 -16.331 -1.847 -6.086 1.00 0.99 C ATOM 522 OH TYR A 34 -15.990 -2.550 -7.224 1.00 1.20 O ATOM 0 H TYR A 34 -16.345 2.393 -3.559 1.00 0.36 H new ATOM 0 HA TYR A 34 -19.014 1.281 -3.601 1.00 0.37 H new ATOM 0 HB2 TYR A 34 -16.509 0.655 -1.987 1.00 0.40 H new ATOM 0 HB3 TYR A 34 -17.988 -0.276 -1.860 1.00 0.40 H new ATOM 0 HD1 TYR A 34 -19.060 -0.907 -4.285 1.00 1.03 H new ATOM 0 HD2 TYR A 34 -14.904 -0.105 -3.536 1.00 1.10 H new ATOM 0 HE1 TYR A 34 -18.447 -2.166 -6.330 1.00 1.16 H new ATOM 0 HE2 TYR A 34 -14.295 -1.368 -5.580 1.00 1.25 H new ATOM 0 HH TYR A 34 -15.016 -2.543 -7.333 1.00 1.20 H new ATOM 532 N GLY A 35 -18.137 3.168 -1.072 1.00 0.24 N ATOM 533 CA GLY A 35 -18.676 3.852 0.145 1.00 0.31 C ATOM 534 C GLY A 35 -18.218 3.119 1.409 1.00 0.31 C ATOM 535 O GLY A 35 -18.447 3.571 2.513 1.00 0.36 O ATOM 0 H GLY A 35 -17.212 3.480 -1.366 1.00 0.24 H new ATOM 0 HA2 GLY A 35 -18.334 4.887 0.171 1.00 0.31 H new ATOM 0 HA3 GLY A 35 -19.765 3.877 0.105 1.00 0.31 H new ATOM 539 N VAL A 36 -17.573 1.992 1.262 1.00 0.33 N ATOM 540 CA VAL A 36 -17.102 1.233 2.455 1.00 0.38 C ATOM 541 C VAL A 36 -15.702 1.712 2.849 1.00 0.42 C ATOM 542 O VAL A 36 -14.900 0.958 3.359 1.00 0.45 O ATOM 543 CB VAL A 36 -17.052 -0.256 2.110 1.00 0.41 C ATOM 544 CG1 VAL A 36 -18.418 -0.709 1.594 1.00 0.71 C ATOM 545 CG2 VAL A 36 -15.995 -0.498 1.028 1.00 0.66 C ATOM 0 H VAL A 36 -17.352 1.564 0.363 1.00 0.33 H new ATOM 0 HA VAL A 36 -17.786 1.397 3.288 1.00 0.38 H new ATOM 0 HB VAL A 36 -16.794 -0.824 3.004 1.00 0.41 H new ATOM 0 HG11 VAL A 36 -18.381 -1.770 1.349 1.00 0.71 H new ATOM 0 HG12 VAL A 36 -19.172 -0.541 2.363 1.00 0.71 H new ATOM 0 HG13 VAL A 36 -18.677 -0.139 0.702 1.00 0.71 H new ATOM 0 HG21 VAL A 36 -15.961 -1.560 0.784 1.00 0.66 H new ATOM 0 HG22 VAL A 36 -16.251 0.072 0.135 1.00 0.66 H new ATOM 0 HG23 VAL A 36 -15.019 -0.179 1.395 1.00 0.66 H new ATOM 555 N SER A 37 -15.401 2.957 2.604 1.00 0.55 N ATOM 556 CA SER A 37 -14.046 3.485 2.948 1.00 0.64 C ATOM 557 C SER A 37 -13.958 3.818 4.441 1.00 0.50 C ATOM 558 O SER A 37 -13.252 3.169 5.181 1.00 0.93 O ATOM 559 CB SER A 37 -13.782 4.760 2.138 1.00 0.96 C ATOM 560 OG SER A 37 -14.285 4.594 0.822 1.00 1.56 O ATOM 0 H SER A 37 -16.034 3.635 2.180 1.00 0.55 H new ATOM 0 HA SER A 37 -13.304 2.723 2.711 1.00 0.64 H new ATOM 0 HB2 SER A 37 -14.260 5.614 2.617 1.00 0.96 H new ATOM 0 HB3 SER A 37 -12.713 4.970 2.107 1.00 0.96 H new ATOM 0 HG SER A 37 -15.231 4.849 0.799 1.00 1.56 H new ATOM 566 N ASP A 38 -14.663 4.847 4.851 1.00 0.43 N ATOM 567 CA ASP A 38 -14.666 5.333 6.277 1.00 0.37 C ATOM 568 C ASP A 38 -13.775 4.499 7.211 1.00 0.54 C ATOM 569 O ASP A 38 -12.583 4.705 7.289 1.00 1.41 O ATOM 570 CB ASP A 38 -16.101 5.318 6.810 1.00 0.53 C ATOM 571 CG ASP A 38 -16.919 6.413 6.123 1.00 1.52 C ATOM 572 OD1 ASP A 38 -16.319 7.333 5.593 1.00 2.16 O ATOM 573 OD2 ASP A 38 -18.135 6.313 6.138 1.00 2.35 O ATOM 0 H ASP A 38 -15.262 5.394 4.232 1.00 0.43 H new ATOM 0 HA ASP A 38 -14.256 6.343 6.266 1.00 0.37 H new ATOM 0 HB2 ASP A 38 -16.556 4.344 6.630 1.00 0.53 H new ATOM 0 HB3 ASP A 38 -16.100 5.474 7.889 1.00 0.53 H new ATOM 578 N TYR A 39 -14.345 3.586 7.941 1.00 0.42 N ATOM 579 CA TYR A 39 -13.527 2.776 8.892 1.00 0.33 C ATOM 580 C TYR A 39 -12.436 1.997 8.148 1.00 0.25 C ATOM 581 O TYR A 39 -11.292 1.973 8.559 1.00 0.26 O ATOM 582 CB TYR A 39 -14.444 1.792 9.621 1.00 0.44 C ATOM 583 CG TYR A 39 -13.616 0.890 10.502 1.00 0.57 C ATOM 584 CD1 TYR A 39 -13.103 -0.301 9.979 1.00 1.19 C ATOM 585 CD2 TYR A 39 -13.351 1.243 11.830 1.00 1.35 C ATOM 586 CE1 TYR A 39 -12.328 -1.142 10.781 1.00 1.30 C ATOM 587 CE2 TYR A 39 -12.574 0.402 12.635 1.00 1.51 C ATOM 588 CZ TYR A 39 -12.062 -0.792 12.110 1.00 1.02 C ATOM 589 OH TYR A 39 -11.297 -1.621 12.904 1.00 1.27 O ATOM 0 H TYR A 39 -15.340 3.363 7.923 1.00 0.42 H new ATOM 0 HA TYR A 39 -13.047 3.447 9.604 1.00 0.33 H new ATOM 0 HB2 TYR A 39 -15.173 2.335 10.222 1.00 0.44 H new ATOM 0 HB3 TYR A 39 -15.005 1.198 8.899 1.00 0.44 H new ATOM 0 HD1 TYR A 39 -13.306 -0.571 8.953 1.00 1.19 H new ATOM 0 HD2 TYR A 39 -13.746 2.164 12.233 1.00 1.35 H new ATOM 0 HE1 TYR A 39 -11.934 -2.062 10.376 1.00 1.30 H new ATOM 0 HE2 TYR A 39 -12.369 0.673 13.660 1.00 1.51 H new ATOM 0 HH TYR A 39 -11.209 -1.228 13.797 1.00 1.27 H new ATOM 599 N TYR A 40 -12.778 1.342 7.079 1.00 0.25 N ATOM 600 CA TYR A 40 -11.760 0.544 6.335 1.00 0.23 C ATOM 601 C TYR A 40 -10.668 1.450 5.747 1.00 0.19 C ATOM 602 O TYR A 40 -9.590 0.990 5.427 1.00 0.19 O ATOM 603 CB TYR A 40 -12.443 -0.216 5.195 1.00 0.29 C ATOM 604 CG TYR A 40 -13.454 -1.184 5.764 1.00 0.29 C ATOM 605 CD1 TYR A 40 -14.777 -0.775 5.968 1.00 0.80 C ATOM 606 CD2 TYR A 40 -13.068 -2.491 6.087 1.00 0.66 C ATOM 607 CE1 TYR A 40 -15.715 -1.672 6.494 1.00 0.94 C ATOM 608 CE2 TYR A 40 -14.005 -3.387 6.614 1.00 0.76 C ATOM 609 CZ TYR A 40 -15.328 -2.979 6.817 1.00 0.70 C ATOM 610 OH TYR A 40 -16.253 -3.863 7.336 1.00 0.93 O ATOM 0 H TYR A 40 -13.718 1.322 6.684 1.00 0.25 H new ATOM 0 HA TYR A 40 -11.297 -0.153 7.033 1.00 0.23 H new ATOM 0 HB2 TYR A 40 -12.935 0.485 4.521 1.00 0.29 H new ATOM 0 HB3 TYR A 40 -11.700 -0.755 4.607 1.00 0.29 H new ATOM 0 HD1 TYR A 40 -15.075 0.233 5.720 1.00 0.80 H new ATOM 0 HD2 TYR A 40 -12.047 -2.807 5.929 1.00 0.66 H new ATOM 0 HE1 TYR A 40 -16.736 -1.356 6.651 1.00 0.94 H new ATOM 0 HE2 TYR A 40 -13.707 -4.394 6.864 1.00 0.76 H new ATOM 0 HH TYR A 40 -15.822 -4.727 7.504 1.00 0.93 H new ATOM 620 N LYS A 41 -10.926 2.721 5.582 1.00 0.18 N ATOM 621 CA LYS A 41 -9.882 3.606 4.994 1.00 0.17 C ATOM 622 C LYS A 41 -8.740 3.761 6.002 1.00 0.16 C ATOM 623 O LYS A 41 -7.578 3.761 5.651 1.00 0.17 O ATOM 624 CB LYS A 41 -10.514 4.978 4.629 1.00 0.22 C ATOM 625 CG LYS A 41 -10.264 6.040 5.722 1.00 0.79 C ATOM 626 CD LYS A 41 -11.088 7.304 5.436 1.00 1.17 C ATOM 627 CE LYS A 41 -10.399 8.149 4.360 1.00 1.68 C ATOM 628 NZ LYS A 41 -9.052 8.567 4.842 1.00 2.14 N ATOM 0 H LYS A 41 -11.804 3.179 5.826 1.00 0.18 H new ATOM 0 HA LYS A 41 -9.478 3.170 4.080 1.00 0.17 H new ATOM 0 HB2 LYS A 41 -10.100 5.327 3.683 1.00 0.22 H new ATOM 0 HB3 LYS A 41 -11.587 4.855 4.482 1.00 0.22 H new ATOM 0 HG2 LYS A 41 -10.532 5.637 6.699 1.00 0.79 H new ATOM 0 HG3 LYS A 41 -9.204 6.290 5.760 1.00 0.79 H new ATOM 0 HD2 LYS A 41 -12.090 7.028 5.106 1.00 1.17 H new ATOM 0 HD3 LYS A 41 -11.203 7.887 6.350 1.00 1.17 H new ATOM 0 HE2 LYS A 41 -10.305 7.576 3.438 1.00 1.68 H new ATOM 0 HE3 LYS A 41 -11.003 9.027 4.130 1.00 1.68 H new ATOM 0 HZ1 LYS A 41 -8.926 9.586 4.678 1.00 2.14 H new ATOM 0 HZ2 LYS A 41 -8.970 8.367 5.859 1.00 2.14 H new ATOM 0 HZ3 LYS A 41 -8.319 8.040 4.325 1.00 2.14 H new ATOM 642 N ASN A 42 -9.073 3.890 7.254 1.00 0.19 N ATOM 643 CA ASN A 42 -8.023 4.042 8.291 1.00 0.21 C ATOM 644 C ASN A 42 -7.233 2.739 8.405 1.00 0.18 C ATOM 645 O ASN A 42 -6.032 2.742 8.590 1.00 0.19 O ATOM 646 CB ASN A 42 -8.669 4.370 9.639 1.00 0.25 C ATOM 647 CG ASN A 42 -7.582 4.756 10.643 1.00 0.32 C ATOM 648 OD1 ASN A 42 -6.517 5.200 10.264 1.00 1.12 O ATOM 649 ND2 ASN A 42 -7.805 4.600 11.919 1.00 1.16 N ATOM 0 H ASN A 42 -10.031 3.896 7.603 1.00 0.19 H new ATOM 0 HA ASN A 42 -7.352 4.853 8.010 1.00 0.21 H new ATOM 0 HB2 ASN A 42 -9.380 5.188 9.524 1.00 0.25 H new ATOM 0 HB3 ASN A 42 -9.229 3.509 10.005 1.00 0.25 H new ATOM 0 HD21 ASN A 42 -7.085 4.851 12.597 1.00 1.16 H new ATOM 0 HD22 ASN A 42 -8.699 4.227 12.239 1.00 1.16 H new ATOM 656 N LEU A 43 -7.902 1.626 8.299 1.00 0.16 N ATOM 657 CA LEU A 43 -7.195 0.321 8.404 1.00 0.16 C ATOM 658 C LEU A 43 -6.138 0.226 7.301 1.00 0.14 C ATOM 659 O LEU A 43 -5.038 -0.238 7.526 1.00 0.17 O ATOM 660 CB LEU A 43 -8.217 -0.814 8.260 1.00 0.17 C ATOM 661 CG LEU A 43 -7.526 -2.180 8.363 1.00 0.20 C ATOM 662 CD1 LEU A 43 -6.822 -2.324 9.723 1.00 0.63 C ATOM 663 CD2 LEU A 43 -8.585 -3.279 8.217 1.00 0.63 C ATOM 0 H LEU A 43 -8.908 1.564 8.144 1.00 0.16 H new ATOM 0 HA LEU A 43 -6.702 0.239 9.372 1.00 0.16 H new ATOM 0 HB2 LEU A 43 -8.978 -0.726 9.036 1.00 0.17 H new ATOM 0 HB3 LEU A 43 -8.728 -0.731 7.301 1.00 0.17 H new ATOM 0 HG LEU A 43 -6.779 -2.267 7.574 1.00 0.20 H new ATOM 0 HD11 LEU A 43 -6.337 -3.298 9.780 1.00 0.63 H new ATOM 0 HD12 LEU A 43 -6.073 -1.539 9.830 1.00 0.63 H new ATOM 0 HD13 LEU A 43 -7.556 -2.237 10.524 1.00 0.63 H new ATOM 0 HD21 LEU A 43 -8.107 -4.256 8.288 1.00 0.63 H new ATOM 0 HD22 LEU A 43 -9.326 -3.178 9.010 1.00 0.63 H new ATOM 0 HD23 LEU A 43 -9.076 -3.185 7.248 1.00 0.63 H new ATOM 675 N ILE A 44 -6.451 0.674 6.116 1.00 0.13 N ATOM 676 CA ILE A 44 -5.444 0.617 5.018 1.00 0.13 C ATOM 677 C ILE A 44 -4.230 1.455 5.423 1.00 0.14 C ATOM 678 O ILE A 44 -3.096 1.068 5.222 1.00 0.15 O ATOM 679 CB ILE A 44 -6.056 1.181 3.729 1.00 0.16 C ATOM 680 CG1 ILE A 44 -7.196 0.262 3.233 1.00 0.33 C ATOM 681 CG2 ILE A 44 -4.968 1.306 2.655 1.00 0.14 C ATOM 682 CD1 ILE A 44 -6.646 -0.920 2.417 1.00 0.38 C ATOM 0 H ILE A 44 -7.354 1.074 5.861 1.00 0.13 H new ATOM 0 HA ILE A 44 -5.140 -0.415 4.844 1.00 0.13 H new ATOM 0 HB ILE A 44 -6.472 2.168 3.932 1.00 0.16 H new ATOM 0 HG12 ILE A 44 -7.760 -0.114 4.086 1.00 0.33 H new ATOM 0 HG13 ILE A 44 -7.890 0.838 2.621 1.00 0.33 H new ATOM 0 HG21 ILE A 44 -5.404 1.707 1.740 1.00 0.14 H new ATOM 0 HG22 ILE A 44 -4.184 1.977 3.007 1.00 0.14 H new ATOM 0 HG23 ILE A 44 -4.541 0.324 2.453 1.00 0.14 H new ATOM 0 HD11 ILE A 44 -7.472 -1.547 2.083 1.00 0.38 H new ATOM 0 HD12 ILE A 44 -6.103 -0.543 1.550 1.00 0.38 H new ATOM 0 HD13 ILE A 44 -5.972 -1.509 3.039 1.00 0.38 H new ATOM 694 N ASN A 45 -4.465 2.602 5.997 1.00 0.15 N ATOM 695 CA ASN A 45 -3.338 3.475 6.426 1.00 0.19 C ATOM 696 C ASN A 45 -2.447 2.716 7.415 1.00 0.20 C ATOM 697 O ASN A 45 -1.257 2.949 7.497 1.00 0.28 O ATOM 698 CB ASN A 45 -3.896 4.729 7.103 1.00 0.22 C ATOM 699 CG ASN A 45 -2.766 5.733 7.329 1.00 0.65 C ATOM 700 OD1 ASN A 45 -1.703 5.608 6.754 1.00 1.46 O ATOM 701 ND2 ASN A 45 -2.948 6.731 8.151 1.00 0.94 N ATOM 0 H ASN A 45 -5.395 2.974 6.188 1.00 0.15 H new ATOM 0 HA ASN A 45 -2.749 3.761 5.554 1.00 0.19 H new ATOM 0 HB2 ASN A 45 -4.674 5.174 6.483 1.00 0.22 H new ATOM 0 HB3 ASN A 45 -4.359 4.466 8.054 1.00 0.22 H new ATOM 0 HD21 ASN A 45 -2.198 7.404 8.310 1.00 0.94 H new ATOM 0 HD22 ASN A 45 -3.840 6.837 8.634 1.00 0.94 H new ATOM 708 N ASN A 46 -3.017 1.820 8.176 1.00 0.17 N ATOM 709 CA ASN A 46 -2.210 1.053 9.172 1.00 0.22 C ATOM 710 C ASN A 46 -1.587 -0.180 8.506 1.00 0.24 C ATOM 711 O ASN A 46 -1.013 -1.025 9.164 1.00 0.27 O ATOM 712 CB ASN A 46 -3.122 0.602 10.316 1.00 0.24 C ATOM 713 CG ASN A 46 -3.542 1.817 11.145 1.00 0.41 C ATOM 714 OD1 ASN A 46 -2.899 2.848 11.104 1.00 1.10 O ATOM 715 ND2 ASN A 46 -4.603 1.739 11.901 1.00 1.22 N ATOM 0 H ASN A 46 -4.009 1.585 8.151 1.00 0.17 H new ATOM 0 HA ASN A 46 -1.415 1.691 9.558 1.00 0.22 H new ATOM 0 HB2 ASN A 46 -4.003 0.100 9.916 1.00 0.24 H new ATOM 0 HB3 ASN A 46 -2.602 -0.119 10.947 1.00 0.24 H new ATOM 0 HD21 ASN A 46 -4.893 2.543 12.458 1.00 1.22 H new ATOM 0 HD22 ASN A 46 -5.142 0.874 11.935 1.00 1.22 H new ATOM 722 N ALA A 47 -1.698 -0.296 7.210 1.00 0.24 N ATOM 723 CA ALA A 47 -1.115 -1.482 6.513 1.00 0.30 C ATOM 724 C ALA A 47 0.397 -1.542 6.752 1.00 0.51 C ATOM 725 O ALA A 47 1.091 -0.552 6.625 1.00 1.49 O ATOM 726 CB ALA A 47 -1.378 -1.369 5.010 1.00 0.21 C ATOM 0 H ALA A 47 -2.166 0.377 6.603 1.00 0.24 H new ATOM 0 HA ALA A 47 -1.579 -2.387 6.906 1.00 0.30 H new ATOM 0 HB1 ALA A 47 -0.953 -2.234 4.500 1.00 0.21 H new ATOM 0 HB2 ALA A 47 -2.453 -1.334 4.830 1.00 0.21 H new ATOM 0 HB3 ALA A 47 -0.916 -0.459 4.627 1.00 0.21 H new ATOM 732 N LYS A 48 0.912 -2.703 7.092 1.00 0.60 N ATOM 733 CA LYS A 48 2.384 -2.851 7.337 1.00 0.53 C ATOM 734 C LYS A 48 3.006 -3.737 6.252 1.00 0.42 C ATOM 735 O LYS A 48 4.212 -3.844 6.149 1.00 0.51 O ATOM 736 CB LYS A 48 2.609 -3.497 8.707 1.00 0.68 C ATOM 737 CG LYS A 48 2.223 -2.502 9.806 1.00 1.13 C ATOM 738 CD LYS A 48 2.466 -3.128 11.184 1.00 1.72 C ATOM 739 CE LYS A 48 1.550 -4.345 11.391 1.00 2.29 C ATOM 740 NZ LYS A 48 2.226 -5.567 10.875 1.00 2.97 N ATOM 0 H LYS A 48 0.371 -3.560 7.211 1.00 0.60 H new ATOM 0 HA LYS A 48 2.852 -1.867 7.311 1.00 0.53 H new ATOM 0 HB2 LYS A 48 2.012 -4.405 8.796 1.00 0.68 H new ATOM 0 HB3 LYS A 48 3.653 -3.790 8.816 1.00 0.68 H new ATOM 0 HG2 LYS A 48 2.808 -1.588 9.704 1.00 1.13 H new ATOM 0 HG3 LYS A 48 1.175 -2.222 9.704 1.00 1.13 H new ATOM 0 HD2 LYS A 48 3.509 -3.431 11.274 1.00 1.72 H new ATOM 0 HD3 LYS A 48 2.281 -2.389 11.964 1.00 1.72 H new ATOM 0 HE2 LYS A 48 1.318 -4.464 12.449 1.00 2.29 H new ATOM 0 HE3 LYS A 48 0.603 -4.194 10.873 1.00 2.29 H new ATOM 0 HZ1 LYS A 48 1.666 -5.972 10.098 1.00 2.97 H new ATOM 0 HZ2 LYS A 48 3.174 -5.318 10.526 1.00 2.97 H new ATOM 0 HZ3 LYS A 48 2.311 -6.266 11.640 1.00 2.97 H new ATOM 754 N THR A 49 2.193 -4.373 5.441 1.00 0.35 N ATOM 755 CA THR A 49 2.730 -5.257 4.352 1.00 0.42 C ATOM 756 C THR A 49 2.045 -4.910 3.026 1.00 0.62 C ATOM 757 O THR A 49 0.868 -4.617 2.984 1.00 1.59 O ATOM 758 CB THR A 49 2.448 -6.725 4.698 1.00 0.45 C ATOM 759 OG1 THR A 49 1.057 -6.893 4.930 1.00 0.57 O ATOM 760 CG2 THR A 49 3.229 -7.129 5.956 1.00 0.48 C ATOM 0 H THR A 49 1.175 -4.318 5.486 1.00 0.35 H new ATOM 0 HA THR A 49 3.805 -5.103 4.259 1.00 0.42 H new ATOM 0 HB THR A 49 2.763 -7.356 3.867 1.00 0.45 H new ATOM 0 HG1 THR A 49 0.873 -7.830 5.150 1.00 0.57 H new ATOM 0 HG21 THR A 49 3.022 -8.173 6.193 1.00 0.48 H new ATOM 0 HG22 THR A 49 4.297 -7.002 5.778 1.00 0.48 H new ATOM 0 HG23 THR A 49 2.924 -6.499 6.792 1.00 0.48 H new ATOM 768 N VAL A 50 2.776 -4.943 1.943 1.00 0.44 N ATOM 769 CA VAL A 50 2.172 -4.616 0.616 1.00 0.33 C ATOM 770 C VAL A 50 1.165 -5.701 0.237 1.00 0.37 C ATOM 771 O VAL A 50 0.091 -5.422 -0.256 1.00 0.40 O ATOM 772 CB VAL A 50 3.269 -4.580 -0.442 1.00 0.42 C ATOM 773 CG1 VAL A 50 2.649 -4.375 -1.828 1.00 0.47 C ATOM 774 CG2 VAL A 50 4.240 -3.439 -0.141 1.00 0.44 C ATOM 0 H VAL A 50 3.767 -5.183 1.919 1.00 0.44 H new ATOM 0 HA VAL A 50 1.675 -3.648 0.674 1.00 0.33 H new ATOM 0 HB VAL A 50 3.809 -5.527 -0.427 1.00 0.42 H new ATOM 0 HG11 VAL A 50 3.438 -4.350 -2.580 1.00 0.47 H new ATOM 0 HG12 VAL A 50 1.966 -5.196 -2.046 1.00 0.47 H new ATOM 0 HG13 VAL A 50 2.101 -3.433 -1.846 1.00 0.47 H new ATOM 0 HG21 VAL A 50 5.022 -3.417 -0.900 1.00 0.44 H new ATOM 0 HG22 VAL A 50 3.701 -2.491 -0.148 1.00 0.44 H new ATOM 0 HG23 VAL A 50 4.690 -3.593 0.840 1.00 0.44 H new ATOM 784 N GLU A 51 1.507 -6.939 0.461 1.00 0.43 N ATOM 785 CA GLU A 51 0.569 -8.036 0.110 1.00 0.53 C ATOM 786 C GLU A 51 -0.715 -7.833 0.902 1.00 0.49 C ATOM 787 O GLU A 51 -1.808 -8.016 0.403 1.00 0.62 O ATOM 788 CB GLU A 51 1.194 -9.382 0.481 1.00 0.66 C ATOM 789 CG GLU A 51 2.361 -9.682 -0.463 1.00 1.57 C ATOM 790 CD GLU A 51 3.520 -8.729 -0.164 1.00 1.95 C ATOM 791 OE1 GLU A 51 3.570 -8.216 0.943 1.00 2.14 O ATOM 792 OE2 GLU A 51 4.339 -8.528 -1.046 1.00 2.64 O ATOM 0 H GLU A 51 2.393 -7.236 0.871 1.00 0.43 H new ATOM 0 HA GLU A 51 0.359 -8.027 -0.959 1.00 0.53 H new ATOM 0 HB2 GLU A 51 1.544 -9.360 1.513 1.00 0.66 H new ATOM 0 HB3 GLU A 51 0.446 -10.172 0.415 1.00 0.66 H new ATOM 0 HG2 GLU A 51 2.685 -10.715 -0.340 1.00 1.57 H new ATOM 0 HG3 GLU A 51 2.042 -9.569 -1.499 1.00 1.57 H new ATOM 799 N GLY A 52 -0.585 -7.439 2.133 1.00 0.40 N ATOM 800 CA GLY A 52 -1.786 -7.201 2.970 1.00 0.41 C ATOM 801 C GLY A 52 -2.630 -6.088 2.345 1.00 0.31 C ATOM 802 O GLY A 52 -3.842 -6.110 2.414 1.00 0.35 O ATOM 0 H GLY A 52 0.307 -7.271 2.598 1.00 0.40 H new ATOM 0 HA2 GLY A 52 -2.373 -8.116 3.051 1.00 0.41 H new ATOM 0 HA3 GLY A 52 -1.489 -6.923 3.981 1.00 0.41 H new ATOM 806 N VAL A 53 -2.006 -5.105 1.744 1.00 0.22 N ATOM 807 CA VAL A 53 -2.805 -3.997 1.137 1.00 0.15 C ATOM 808 C VAL A 53 -3.722 -4.556 0.041 1.00 0.14 C ATOM 809 O VAL A 53 -4.905 -4.282 0.015 1.00 0.17 O ATOM 810 CB VAL A 53 -1.861 -2.944 0.541 1.00 0.14 C ATOM 811 CG1 VAL A 53 -2.659 -1.937 -0.297 1.00 0.19 C ATOM 812 CG2 VAL A 53 -1.149 -2.203 1.677 1.00 0.14 C ATOM 0 H VAL A 53 -0.994 -5.022 1.648 1.00 0.22 H new ATOM 0 HA VAL A 53 -3.417 -3.532 1.910 1.00 0.15 H new ATOM 0 HB VAL A 53 -1.129 -3.440 -0.096 1.00 0.14 H new ATOM 0 HG11 VAL A 53 -1.981 -1.194 -0.716 1.00 0.19 H new ATOM 0 HG12 VAL A 53 -3.169 -2.460 -1.106 1.00 0.19 H new ATOM 0 HG13 VAL A 53 -3.396 -1.441 0.335 1.00 0.19 H new ATOM 0 HG21 VAL A 53 -0.477 -1.454 1.258 1.00 0.14 H new ATOM 0 HG22 VAL A 53 -1.888 -1.713 2.311 1.00 0.14 H new ATOM 0 HG23 VAL A 53 -0.575 -2.914 2.271 1.00 0.14 H new ATOM 822 N LYS A 54 -3.190 -5.329 -0.865 1.00 0.18 N ATOM 823 CA LYS A 54 -4.039 -5.891 -1.957 1.00 0.21 C ATOM 824 C LYS A 54 -4.905 -7.040 -1.429 1.00 0.20 C ATOM 825 O LYS A 54 -6.037 -7.211 -1.837 1.00 0.21 O ATOM 826 CB LYS A 54 -3.142 -6.387 -3.097 1.00 0.26 C ATOM 827 CG LYS A 54 -2.031 -7.286 -2.543 1.00 0.30 C ATOM 828 CD LYS A 54 -1.284 -7.965 -3.698 1.00 0.78 C ATOM 829 CE LYS A 54 -0.631 -6.910 -4.600 1.00 1.14 C ATOM 830 NZ LYS A 54 -1.645 -6.363 -5.546 1.00 1.73 N ATOM 0 H LYS A 54 -2.206 -5.596 -0.898 1.00 0.18 H new ATOM 0 HA LYS A 54 -4.700 -5.109 -2.330 1.00 0.21 H new ATOM 0 HB2 LYS A 54 -3.737 -6.939 -3.824 1.00 0.26 H new ATOM 0 HB3 LYS A 54 -2.705 -5.537 -3.622 1.00 0.26 H new ATOM 0 HG2 LYS A 54 -1.336 -6.695 -1.947 1.00 0.30 H new ATOM 0 HG3 LYS A 54 -2.457 -8.040 -1.881 1.00 0.30 H new ATOM 0 HD2 LYS A 54 -0.523 -8.638 -3.303 1.00 0.78 H new ATOM 0 HD3 LYS A 54 -1.976 -8.574 -4.280 1.00 0.78 H new ATOM 0 HE2 LYS A 54 -0.214 -6.106 -3.993 1.00 1.14 H new ATOM 0 HE3 LYS A 54 0.196 -7.353 -5.154 1.00 1.14 H new ATOM 0 HZ1 LYS A 54 -1.288 -6.439 -6.520 1.00 1.73 H new ATOM 0 HZ2 LYS A 54 -2.529 -6.904 -5.458 1.00 1.73 H new ATOM 0 HZ3 LYS A 54 -1.826 -5.364 -5.321 1.00 1.73 H new ATOM 844 N ALA A 55 -4.383 -7.832 -0.535 1.00 0.22 N ATOM 845 CA ALA A 55 -5.175 -8.972 0.006 1.00 0.23 C ATOM 846 C ALA A 55 -6.312 -8.447 0.886 1.00 0.20 C ATOM 847 O ALA A 55 -7.409 -8.967 0.880 1.00 0.19 O ATOM 848 CB ALA A 55 -4.259 -9.873 0.837 1.00 0.30 C ATOM 0 H ALA A 55 -3.441 -7.739 -0.155 1.00 0.22 H new ATOM 0 HA ALA A 55 -5.599 -9.541 -0.821 1.00 0.23 H new ATOM 0 HB1 ALA A 55 -4.834 -10.709 1.235 1.00 0.30 H new ATOM 0 HB2 ALA A 55 -3.454 -10.253 0.208 1.00 0.30 H new ATOM 0 HB3 ALA A 55 -3.835 -9.299 1.661 1.00 0.30 H new ATOM 854 N LEU A 56 -6.055 -7.426 1.647 1.00 0.20 N ATOM 855 CA LEU A 56 -7.115 -6.867 2.527 1.00 0.21 C ATOM 856 C LEU A 56 -8.280 -6.411 1.651 1.00 0.18 C ATOM 857 O LEU A 56 -9.426 -6.718 1.908 1.00 0.19 O ATOM 858 CB LEU A 56 -6.543 -5.682 3.313 1.00 0.26 C ATOM 859 CG LEU A 56 -7.613 -5.080 4.234 1.00 0.30 C ATOM 860 CD1 LEU A 56 -8.067 -6.122 5.272 1.00 0.34 C ATOM 861 CD2 LEU A 56 -7.016 -3.864 4.951 1.00 0.46 C ATOM 0 H LEU A 56 -5.154 -6.952 1.699 1.00 0.20 H new ATOM 0 HA LEU A 56 -7.465 -7.620 3.233 1.00 0.21 H new ATOM 0 HB2 LEU A 56 -5.688 -6.009 3.905 1.00 0.26 H new ATOM 0 HB3 LEU A 56 -6.180 -4.921 2.622 1.00 0.26 H new ATOM 0 HG LEU A 56 -8.477 -4.779 3.642 1.00 0.30 H new ATOM 0 HD11 LEU A 56 -8.826 -5.683 5.920 1.00 0.34 H new ATOM 0 HD12 LEU A 56 -8.484 -6.989 4.759 1.00 0.34 H new ATOM 0 HD13 LEU A 56 -7.213 -6.433 5.873 1.00 0.34 H new ATOM 0 HD21 LEU A 56 -7.766 -3.426 5.610 1.00 0.46 H new ATOM 0 HD22 LEU A 56 -6.154 -4.176 5.540 1.00 0.46 H new ATOM 0 HD23 LEU A 56 -6.703 -3.124 4.214 1.00 0.46 H new ATOM 873 N ILE A 57 -7.987 -5.688 0.606 1.00 0.16 N ATOM 874 CA ILE A 57 -9.063 -5.218 -0.306 1.00 0.17 C ATOM 875 C ILE A 57 -9.773 -6.433 -0.892 1.00 0.17 C ATOM 876 O ILE A 57 -10.972 -6.432 -1.081 1.00 0.20 O ATOM 877 CB ILE A 57 -8.460 -4.398 -1.449 1.00 0.18 C ATOM 878 CG1 ILE A 57 -7.666 -3.197 -0.889 1.00 0.19 C ATOM 879 CG2 ILE A 57 -9.580 -3.907 -2.373 1.00 0.23 C ATOM 880 CD1 ILE A 57 -8.601 -2.029 -0.526 1.00 0.21 C ATOM 0 H ILE A 57 -7.043 -5.402 0.345 1.00 0.16 H new ATOM 0 HA ILE A 57 -9.764 -4.597 0.251 1.00 0.17 H new ATOM 0 HB ILE A 57 -7.775 -5.028 -2.017 1.00 0.18 H new ATOM 0 HG12 ILE A 57 -7.108 -3.507 -0.005 1.00 0.19 H new ATOM 0 HG13 ILE A 57 -6.936 -2.865 -1.627 1.00 0.19 H new ATOM 0 HG21 ILE A 57 -9.150 -3.323 -3.187 1.00 0.23 H new ATOM 0 HG22 ILE A 57 -10.115 -4.764 -2.784 1.00 0.23 H new ATOM 0 HG23 ILE A 57 -10.273 -3.285 -1.806 1.00 0.23 H new ATOM 0 HD11 ILE A 57 -8.012 -1.199 -0.135 1.00 0.21 H new ATOM 0 HD12 ILE A 57 -9.139 -1.704 -1.416 1.00 0.21 H new ATOM 0 HD13 ILE A 57 -9.315 -2.356 0.230 1.00 0.21 H new ATOM 892 N ASP A 58 -9.039 -7.469 -1.194 1.00 0.16 N ATOM 893 CA ASP A 58 -9.689 -8.674 -1.781 1.00 0.19 C ATOM 894 C ASP A 58 -10.726 -9.204 -0.792 1.00 0.19 C ATOM 895 O ASP A 58 -11.809 -9.605 -1.169 1.00 0.22 O ATOM 896 CB ASP A 58 -8.635 -9.754 -2.049 1.00 0.21 C ATOM 897 CG ASP A 58 -7.736 -9.316 -3.206 1.00 0.50 C ATOM 898 OD1 ASP A 58 -8.155 -8.455 -3.963 1.00 1.17 O ATOM 899 OD2 ASP A 58 -6.643 -9.847 -3.315 1.00 1.11 O ATOM 0 H ASP A 58 -8.030 -7.533 -1.062 1.00 0.16 H new ATOM 0 HA ASP A 58 -10.172 -8.411 -2.722 1.00 0.19 H new ATOM 0 HB2 ASP A 58 -8.037 -9.923 -1.154 1.00 0.21 H new ATOM 0 HB3 ASP A 58 -9.121 -10.699 -2.290 1.00 0.21 H new ATOM 904 N GLU A 59 -10.410 -9.190 0.474 1.00 0.18 N ATOM 905 CA GLU A 59 -11.381 -9.671 1.489 1.00 0.21 C ATOM 906 C GLU A 59 -12.532 -8.672 1.580 1.00 0.24 C ATOM 907 O GLU A 59 -13.683 -9.039 1.712 1.00 0.30 O ATOM 908 CB GLU A 59 -10.688 -9.779 2.850 1.00 0.23 C ATOM 909 CG GLU A 59 -9.690 -10.940 2.828 1.00 0.25 C ATOM 910 CD GLU A 59 -10.443 -12.268 2.732 1.00 0.38 C ATOM 911 OE1 GLU A 59 -11.229 -12.546 3.623 1.00 0.98 O ATOM 912 OE2 GLU A 59 -10.223 -12.983 1.769 1.00 1.04 O ATOM 0 H GLU A 59 -9.518 -8.865 0.847 1.00 0.18 H new ATOM 0 HA GLU A 59 -11.762 -10.651 1.203 1.00 0.21 H new ATOM 0 HB2 GLU A 59 -10.172 -8.847 3.082 1.00 0.23 H new ATOM 0 HB3 GLU A 59 -11.428 -9.937 3.635 1.00 0.23 H new ATOM 0 HG2 GLU A 59 -9.013 -10.833 1.981 1.00 0.25 H new ATOM 0 HG3 GLU A 59 -9.078 -10.923 3.730 1.00 0.25 H new ATOM 919 N ILE A 60 -12.224 -7.404 1.519 1.00 0.23 N ATOM 920 CA ILE A 60 -13.292 -6.374 1.613 1.00 0.27 C ATOM 921 C ILE A 60 -14.155 -6.404 0.352 1.00 0.28 C ATOM 922 O ILE A 60 -15.366 -6.336 0.417 1.00 0.33 O ATOM 923 CB ILE A 60 -12.654 -4.991 1.761 1.00 0.28 C ATOM 924 CG1 ILE A 60 -11.856 -4.937 3.065 1.00 0.29 C ATOM 925 CG2 ILE A 60 -13.750 -3.923 1.788 1.00 0.33 C ATOM 926 CD1 ILE A 60 -11.001 -3.670 3.090 1.00 0.27 C ATOM 0 H ILE A 60 -11.278 -7.040 1.408 1.00 0.23 H new ATOM 0 HA ILE A 60 -13.917 -6.584 2.481 1.00 0.27 H new ATOM 0 HB ILE A 60 -11.988 -4.805 0.918 1.00 0.28 H new ATOM 0 HG12 ILE A 60 -12.534 -4.948 3.919 1.00 0.29 H new ATOM 0 HG13 ILE A 60 -11.221 -5.819 3.151 1.00 0.29 H new ATOM 0 HG21 ILE A 60 -13.296 -2.938 1.893 1.00 0.33 H new ATOM 0 HG22 ILE A 60 -14.319 -3.962 0.859 1.00 0.33 H new ATOM 0 HG23 ILE A 60 -14.417 -4.107 2.630 1.00 0.33 H new ATOM 0 HD11 ILE A 60 -10.433 -3.633 4.020 1.00 0.27 H new ATOM 0 HD12 ILE A 60 -10.313 -3.678 2.244 1.00 0.27 H new ATOM 0 HD13 ILE A 60 -11.646 -2.794 3.024 1.00 0.27 H new ATOM 938 N LEU A 61 -13.547 -6.516 -0.798 1.00 0.25 N ATOM 939 CA LEU A 61 -14.346 -6.562 -2.054 1.00 0.30 C ATOM 940 C LEU A 61 -15.100 -7.890 -2.113 1.00 0.33 C ATOM 941 O LEU A 61 -16.171 -7.984 -2.675 1.00 0.46 O ATOM 942 CB LEU A 61 -13.424 -6.440 -3.278 1.00 0.29 C ATOM 943 CG LEU A 61 -12.832 -5.025 -3.390 1.00 0.32 C ATOM 944 CD1 LEU A 61 -11.931 -4.972 -4.629 1.00 1.15 C ATOM 945 CD2 LEU A 61 -13.952 -3.972 -3.521 1.00 1.27 C ATOM 0 H LEU A 61 -12.536 -6.577 -0.921 1.00 0.25 H new ATOM 0 HA LEU A 61 -15.051 -5.730 -2.063 1.00 0.30 H new ATOM 0 HB2 LEU A 61 -12.618 -7.169 -3.203 1.00 0.29 H new ATOM 0 HB3 LEU A 61 -13.984 -6.675 -4.183 1.00 0.29 H new ATOM 0 HG LEU A 61 -12.258 -4.802 -2.490 1.00 0.32 H new ATOM 0 HD11 LEU A 61 -11.502 -3.975 -4.724 1.00 1.15 H new ATOM 0 HD12 LEU A 61 -11.129 -5.704 -4.528 1.00 1.15 H new ATOM 0 HD13 LEU A 61 -12.520 -5.200 -5.517 1.00 1.15 H new ATOM 0 HD21 LEU A 61 -13.510 -2.979 -3.599 1.00 1.27 H new ATOM 0 HD22 LEU A 61 -14.542 -4.178 -4.414 1.00 1.27 H new ATOM 0 HD23 LEU A 61 -14.596 -4.015 -2.643 1.00 1.27 H new ATOM 957 N ALA A 62 -14.548 -8.919 -1.536 1.00 0.28 N ATOM 958 CA ALA A 62 -15.233 -10.239 -1.560 1.00 0.32 C ATOM 959 C ALA A 62 -16.555 -10.149 -0.794 1.00 0.37 C ATOM 960 O ALA A 62 -17.445 -10.951 -0.988 1.00 0.48 O ATOM 961 CB ALA A 62 -14.336 -11.290 -0.903 1.00 0.31 C ATOM 0 H ALA A 62 -13.652 -8.903 -1.049 1.00 0.28 H new ATOM 0 HA ALA A 62 -15.433 -10.522 -2.593 1.00 0.32 H new ATOM 0 HB1 ALA A 62 -14.837 -12.258 -0.920 1.00 0.31 H new ATOM 0 HB2 ALA A 62 -13.395 -11.359 -1.450 1.00 0.31 H new ATOM 0 HB3 ALA A 62 -14.136 -11.003 0.129 1.00 0.31 H new ATOM 967 N ALA A 63 -16.686 -9.181 0.086 1.00 0.41 N ATOM 968 CA ALA A 63 -17.949 -9.039 0.884 1.00 0.50 C ATOM 969 C ALA A 63 -18.470 -7.600 0.804 1.00 0.70 C ATOM 970 O ALA A 63 -18.873 -7.028 1.797 1.00 1.15 O ATOM 971 CB ALA A 63 -17.658 -9.381 2.347 1.00 0.72 C ATOM 0 H ALA A 63 -15.971 -8.482 0.286 1.00 0.41 H new ATOM 0 HA ALA A 63 -18.702 -9.715 0.479 1.00 0.50 H new ATOM 0 HB1 ALA A 63 -18.572 -9.280 2.933 1.00 0.72 H new ATOM 0 HB2 ALA A 63 -17.294 -10.406 2.416 1.00 0.72 H new ATOM 0 HB3 ALA A 63 -16.900 -8.701 2.736 1.00 0.72 H new ATOM 977 N LEU A 64 -18.480 -7.009 -0.361 1.00 0.59 N ATOM 978 CA LEU A 64 -18.995 -5.613 -0.468 1.00 0.85 C ATOM 979 C LEU A 64 -20.519 -5.644 -0.246 1.00 1.41 C ATOM 980 O LEU A 64 -21.160 -6.622 -0.573 1.00 1.62 O ATOM 981 CB LEU A 64 -18.669 -5.061 -1.871 1.00 0.65 C ATOM 982 CG LEU A 64 -19.338 -5.928 -2.976 1.00 0.53 C ATOM 983 CD1 LEU A 64 -20.678 -5.319 -3.422 1.00 0.68 C ATOM 984 CD2 LEU A 64 -18.418 -6.011 -4.203 1.00 0.84 C ATOM 0 H LEU A 64 -18.158 -7.427 -1.234 1.00 0.59 H new ATOM 0 HA LEU A 64 -18.529 -4.970 0.278 1.00 0.85 H new ATOM 0 HB2 LEU A 64 -19.016 -4.031 -1.951 1.00 0.65 H new ATOM 0 HB3 LEU A 64 -17.589 -5.046 -2.019 1.00 0.65 H new ATOM 0 HG LEU A 64 -19.512 -6.920 -2.558 1.00 0.53 H new ATOM 0 HD11 LEU A 64 -21.123 -5.946 -4.195 1.00 0.68 H new ATOM 0 HD12 LEU A 64 -21.353 -5.261 -2.568 1.00 0.68 H new ATOM 0 HD13 LEU A 64 -20.509 -4.318 -3.819 1.00 0.68 H new ATOM 0 HD21 LEU A 64 -18.892 -6.619 -4.973 1.00 0.84 H new ATOM 0 HD22 LEU A 64 -18.239 -5.009 -4.592 1.00 0.84 H new ATOM 0 HD23 LEU A 64 -17.469 -6.464 -3.916 1.00 0.84 H new ATOM 996 N PRO A 65 -21.116 -4.596 0.290 1.00 1.85 N ATOM 997 CA PRO A 65 -22.592 -4.594 0.506 1.00 2.43 C ATOM 998 C PRO A 65 -23.364 -4.760 -0.812 1.00 2.62 C ATOM 999 O PRO A 65 -23.290 -3.863 -1.636 1.00 2.81 O ATOM 1000 CB PRO A 65 -22.841 -3.210 1.142 1.00 2.89 C ATOM 1001 CG PRO A 65 -21.534 -2.399 1.054 1.00 2.69 C ATOM 1002 CD PRO A 65 -20.389 -3.368 0.720 1.00 2.01 C ATOM 1003 OXT PRO A 65 -24.013 -5.781 -0.972 1.00 3.05 O ATOM 0 HA PRO A 65 -22.934 -5.422 1.127 1.00 2.43 H new ATOM 0 HB2 PRO A 65 -23.646 -2.691 0.621 1.00 2.89 H new ATOM 0 HB3 PRO A 65 -23.152 -3.319 2.181 1.00 2.89 H new ATOM 0 HG2 PRO A 65 -21.616 -1.628 0.287 1.00 2.69 H new ATOM 0 HG3 PRO A 65 -21.338 -1.890 1.998 1.00 2.69 H new ATOM 0 HD2 PRO A 65 -19.747 -2.979 -0.071 1.00 2.01 H new ATOM 0 HD3 PRO A 65 -19.752 -3.556 1.584 1.00 2.01 H new TER 1011 PRO A 65