USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 660 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 Set 1.1: A 27 LYS NZ :NH3+ 137:sc= -7.02! (180deg=-0.745) USER MOD Set 1.2: A 84 MET CE :methyl 166:sc= -12.6! (180deg=-5.9!) USER MOD Set 2.1: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 16 CYS SG : rot 12:sc= -5.67! USER MOD Set 3.1: A 4 ASN : amide:sc= -2.79! C(o=-18!,f=-16!) USER MOD Set 3.2: A 62 ASN : amide:sc= -15.2! C(o=-18!,f=-17!) USER MOD Single : A 1 MET CE :methyl 175:sc= -13.6! (180deg=-14.3!) USER MOD Single : A 1 MET N :NH3+ -108:sc= -0.413 (180deg=-1.41) USER MOD Single : A 10 SER OG : rot 170:sc= -2.36! USER MOD Single : A 12 THR OG1 : rot -47:sc= 0.0314 USER MOD Single : A 13 CYS SG : rot 180:sc= -6.7! USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -151:sc= -0.0846 (180deg=-0.79) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 145:sc= -9.56! (180deg=-13.5!) USER MOD Single : A 51 TYR OH : rot 97:sc= -6.31! USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -2.15! C(o=-2.1!,f=-5.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.127 -3.192 9.376 1.00 0.00 N ATOM 2 CA MET A 1 -10.189 -2.847 8.268 1.00 0.00 C ATOM 3 C MET A 1 -10.500 -3.692 7.030 1.00 0.00 C ATOM 4 O MET A 1 -9.953 -4.760 6.841 1.00 0.00 O ATOM 5 CB MET A 1 -8.797 -3.178 8.809 1.00 0.00 C ATOM 6 CG MET A 1 -7.955 -3.831 7.709 1.00 0.00 C ATOM 7 SD MET A 1 -7.877 -5.620 7.980 1.00 0.00 S ATOM 8 CE MET A 1 -9.415 -5.785 8.921 1.00 0.00 C ATOM 0 H1 MET A 1 -11.803 -2.413 9.514 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.645 -4.061 9.135 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.588 -3.342 10.253 1.00 0.00 H new ATOM 0 HA MET A 1 -10.271 -1.802 7.968 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.309 -2.270 9.163 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.879 -3.849 9.664 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.389 -3.620 6.732 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.950 -3.409 7.709 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.610 -6.839 9.118 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.322 -5.250 9.866 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.240 -5.365 8.346 1.00 0.00 H new ATOM 20 N VAL A 2 -11.376 -3.223 6.184 1.00 0.00 N ATOM 21 CA VAL A 2 -11.714 -4.003 4.961 1.00 0.00 C ATOM 22 C VAL A 2 -10.651 -3.787 3.888 1.00 0.00 C ATOM 23 O VAL A 2 -9.646 -4.472 3.842 1.00 0.00 O ATOM 24 CB VAL A 2 -13.051 -3.445 4.479 1.00 0.00 C ATOM 25 CG1 VAL A 2 -13.062 -1.925 4.645 1.00 0.00 C ATOM 26 CG2 VAL A 2 -13.235 -3.801 3.002 1.00 0.00 C ATOM 0 H VAL A 2 -11.870 -2.337 6.286 1.00 0.00 H new ATOM 0 HA VAL A 2 -11.764 -5.072 5.166 1.00 0.00 H new ATOM 0 HB VAL A 2 -13.863 -3.875 5.066 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -14.017 -1.528 4.300 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -12.922 -1.673 5.696 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -12.255 -1.489 4.057 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.188 -3.406 2.649 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -12.423 -3.366 2.419 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -13.225 -4.885 2.885 1.00 0.00 H new ATOM 36 N VAL A 3 -10.884 -2.847 3.005 1.00 0.00 N ATOM 37 CA VAL A 3 -9.889 -2.586 1.934 1.00 0.00 C ATOM 38 C VAL A 3 -8.918 -1.482 2.364 1.00 0.00 C ATOM 39 O VAL A 3 -9.144 -0.311 2.105 1.00 0.00 O ATOM 40 CB VAL A 3 -10.751 -2.120 0.762 1.00 0.00 C ATOM 41 CG1 VAL A 3 -9.858 -1.571 -0.350 1.00 0.00 C ATOM 42 CG2 VAL A 3 -11.565 -3.299 0.231 1.00 0.00 C ATOM 0 H VAL A 3 -11.715 -2.256 2.984 1.00 0.00 H new ATOM 0 HA VAL A 3 -9.276 -3.454 1.694 1.00 0.00 H new ATOM 0 HB VAL A 3 -11.426 -1.334 1.100 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -10.477 -1.240 -1.184 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -9.280 -0.728 0.030 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -9.179 -2.353 -0.690 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -12.181 -2.969 -0.605 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.889 -4.086 -0.104 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -12.206 -3.685 1.024 1.00 0.00 H new ATOM 52 N ASN A 4 -7.818 -1.844 2.970 1.00 0.00 N ATOM 53 CA ASN A 4 -6.831 -0.808 3.378 1.00 0.00 C ATOM 54 C ASN A 4 -5.522 -1.035 2.625 1.00 0.00 C ATOM 55 O ASN A 4 -4.792 -1.968 2.876 1.00 0.00 O ATOM 56 CB ASN A 4 -6.634 -1.049 4.884 1.00 0.00 C ATOM 57 CG ASN A 4 -7.296 0.083 5.671 1.00 0.00 C ATOM 58 OD1 ASN A 4 -7.980 -0.156 6.647 1.00 0.00 O ATOM 59 ND2 ASN A 4 -7.124 1.318 5.283 1.00 0.00 N ATOM 0 H ASN A 4 -7.564 -2.805 3.198 1.00 0.00 H new ATOM 0 HA ASN A 4 -7.158 0.209 3.163 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.068 -2.007 5.170 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -5.571 -1.097 5.120 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -7.563 2.080 5.799 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -6.550 1.520 4.464 1.00 0.00 H new ATOM 66 N ILE A 5 -5.230 -0.184 1.692 1.00 0.00 N ATOM 67 CA ILE A 5 -3.978 -0.310 0.901 1.00 0.00 C ATOM 68 C ILE A 5 -3.163 0.971 0.995 1.00 0.00 C ATOM 69 O ILE A 5 -3.728 2.054 0.950 1.00 0.00 O ATOM 70 CB ILE A 5 -4.412 -0.608 -0.524 1.00 0.00 C ATOM 71 CG1 ILE A 5 -5.924 -0.841 -0.555 1.00 0.00 C ATOM 72 CG2 ILE A 5 -3.694 -1.862 -1.031 1.00 0.00 C ATOM 73 CD1 ILE A 5 -6.238 -2.235 -0.007 1.00 0.00 C ATOM 0 H ILE A 5 -5.816 0.611 1.437 1.00 0.00 H new ATOM 0 HA ILE A 5 -3.333 -1.105 1.275 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.157 0.237 -1.164 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.432 -0.082 0.040 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.296 -0.748 -1.575 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -4.008 -2.073 -2.053 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.617 -1.699 -1.009 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -3.946 -2.709 -0.392 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.315 -2.401 -0.029 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.742 -2.987 -0.621 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.880 -2.311 1.020 1.00 0.00 H new ATOM 85 N GLU A 6 -1.866 0.894 1.085 1.00 0.00 N ATOM 86 CA GLU A 6 -1.105 2.158 1.132 1.00 0.00 C ATOM 87 C GLU A 6 0.025 2.104 0.104 1.00 0.00 C ATOM 88 O GLU A 6 1.098 1.583 0.332 1.00 0.00 O ATOM 89 CB GLU A 6 -0.506 2.160 2.560 1.00 0.00 C ATOM 90 CG GLU A 6 -0.378 3.600 3.057 1.00 0.00 C ATOM 91 CD GLU A 6 -0.456 3.626 4.584 1.00 0.00 C ATOM 92 OE1 GLU A 6 -0.883 2.635 5.153 1.00 0.00 O ATOM 93 OE2 GLU A 6 -0.089 4.638 5.159 1.00 0.00 O ATOM 0 H GLU A 6 -1.318 0.035 1.127 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.709 3.039 0.916 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.143 1.587 3.234 1.00 0.00 H new ATOM 0 HB3 GLU A 6 0.471 1.677 2.557 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.568 4.027 2.724 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -1.172 4.214 2.632 1.00 0.00 H new ATOM 100 N VAL A 7 -0.173 2.758 -1.019 1.00 0.00 N ATOM 101 CA VAL A 7 0.887 2.738 -2.060 1.00 0.00 C ATOM 102 C VAL A 7 1.738 3.989 -1.892 1.00 0.00 C ATOM 103 O VAL A 7 1.326 5.101 -2.088 1.00 0.00 O ATOM 104 CB VAL A 7 0.124 2.829 -3.406 1.00 0.00 C ATOM 105 CG1 VAL A 7 -1.058 1.862 -3.395 1.00 0.00 C ATOM 106 CG2 VAL A 7 -0.393 4.258 -3.618 1.00 0.00 C ATOM 0 H VAL A 7 -1.010 3.294 -1.250 1.00 0.00 H new ATOM 0 HA VAL A 7 1.525 1.856 -2.003 1.00 0.00 H new ATOM 0 HB VAL A 7 0.804 2.566 -4.216 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.592 1.929 -4.343 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.694 0.844 -3.255 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.733 2.122 -2.579 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.928 4.314 -4.566 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.067 4.526 -2.804 1.00 0.00 H new ATOM 0 HG23 VAL A 7 0.448 4.951 -3.635 1.00 0.00 H new ATOM 116 N PHE A 8 2.969 3.787 -1.453 1.00 0.00 N ATOM 117 CA PHE A 8 3.862 4.952 -1.227 1.00 0.00 C ATOM 118 C PHE A 8 5.090 4.860 -2.134 1.00 0.00 C ATOM 119 O PHE A 8 6.103 4.300 -1.770 1.00 0.00 O ATOM 120 CB PHE A 8 4.260 4.835 0.250 1.00 0.00 C ATOM 121 CG PHE A 8 5.624 5.446 0.476 1.00 0.00 C ATOM 122 CD1 PHE A 8 5.741 6.814 0.740 1.00 0.00 C ATOM 123 CD2 PHE A 8 6.770 4.643 0.427 1.00 0.00 C ATOM 124 CE1 PHE A 8 7.001 7.379 0.956 1.00 0.00 C ATOM 125 CE2 PHE A 8 8.032 5.209 0.644 1.00 0.00 C ATOM 126 CZ PHE A 8 8.147 6.578 0.909 1.00 0.00 C ATOM 0 H PHE A 8 3.377 2.875 -1.248 1.00 0.00 H new ATOM 0 HA PHE A 8 3.385 5.906 -1.452 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.521 5.338 0.874 1.00 0.00 H new ATOM 0 HB3 PHE A 8 4.269 3.787 0.549 1.00 0.00 H new ATOM 0 HD1 PHE A 8 4.858 7.434 0.777 1.00 0.00 H new ATOM 0 HD2 PHE A 8 6.680 3.586 0.222 1.00 0.00 H new ATOM 0 HE1 PHE A 8 7.090 8.436 1.160 1.00 0.00 H new ATOM 0 HE2 PHE A 8 8.916 4.590 0.607 1.00 0.00 H new ATOM 0 HZ PHE A 8 9.120 7.016 1.077 1.00 0.00 H new ATOM 136 N THR A 9 5.012 5.433 -3.301 1.00 0.00 N ATOM 137 CA THR A 9 6.173 5.395 -4.234 1.00 0.00 C ATOM 138 C THR A 9 6.623 6.819 -4.551 1.00 0.00 C ATOM 139 O THR A 9 7.673 7.255 -4.124 1.00 0.00 O ATOM 140 CB THR A 9 5.652 4.697 -5.493 1.00 0.00 C ATOM 141 OG1 THR A 9 6.186 3.381 -5.560 1.00 0.00 O ATOM 142 CG2 THR A 9 6.084 5.487 -6.730 1.00 0.00 C ATOM 0 H THR A 9 4.192 5.928 -3.651 1.00 0.00 H new ATOM 0 HA THR A 9 7.032 4.872 -3.814 1.00 0.00 H new ATOM 0 HB THR A 9 4.564 4.646 -5.457 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.852 2.933 -6.365 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.713 4.990 -7.627 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.675 6.496 -6.679 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.172 5.538 -6.767 1.00 0.00 H new ATOM 150 N SER A 10 5.833 7.556 -5.284 1.00 0.00 N ATOM 151 CA SER A 10 6.224 8.956 -5.607 1.00 0.00 C ATOM 152 C SER A 10 5.161 9.631 -6.480 1.00 0.00 C ATOM 153 O SER A 10 4.456 8.978 -7.223 1.00 0.00 O ATOM 154 CB SER A 10 7.545 8.836 -6.364 1.00 0.00 C ATOM 155 OG SER A 10 8.097 10.133 -6.553 1.00 0.00 O ATOM 0 H SER A 10 4.940 7.251 -5.670 1.00 0.00 H new ATOM 0 HA SER A 10 6.321 9.567 -4.710 1.00 0.00 H new ATOM 0 HB2 SER A 10 8.241 8.209 -5.807 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.383 8.353 -7.328 1.00 0.00 H new ATOM 0 HG SER A 10 9.013 10.052 -6.891 1.00 0.00 H new ATOM 161 N PRO A 11 5.090 10.930 -6.354 1.00 0.00 N ATOM 162 CA PRO A 11 4.110 11.723 -7.132 1.00 0.00 C ATOM 163 C PRO A 11 4.586 11.895 -8.577 1.00 0.00 C ATOM 164 O PRO A 11 3.825 12.256 -9.453 1.00 0.00 O ATOM 165 CB PRO A 11 4.085 13.066 -6.410 1.00 0.00 C ATOM 166 CG PRO A 11 5.413 13.173 -5.727 1.00 0.00 C ATOM 167 CD PRO A 11 5.911 11.771 -5.476 1.00 0.00 C ATOM 0 HA PRO A 11 3.128 11.253 -7.188 1.00 0.00 H new ATOM 0 HB2 PRO A 11 3.936 13.887 -7.112 1.00 0.00 H new ATOM 0 HB3 PRO A 11 3.268 13.110 -5.690 1.00 0.00 H new ATOM 0 HG2 PRO A 11 6.119 13.725 -6.347 1.00 0.00 H new ATOM 0 HG3 PRO A 11 5.318 13.719 -4.789 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.971 11.677 -5.713 1.00 0.00 H new ATOM 0 HD3 PRO A 11 5.792 11.488 -4.430 1.00 0.00 H new ATOM 175 N THR A 12 5.840 11.641 -8.834 1.00 0.00 N ATOM 176 CA THR A 12 6.353 11.795 -10.227 1.00 0.00 C ATOM 177 C THR A 12 5.960 10.577 -11.064 1.00 0.00 C ATOM 178 O THR A 12 6.399 10.409 -12.183 1.00 0.00 O ATOM 179 CB THR A 12 7.880 11.879 -10.073 1.00 0.00 C ATOM 180 OG1 THR A 12 8.439 12.441 -11.251 1.00 0.00 O ATOM 181 CG2 THR A 12 8.455 10.481 -9.848 1.00 0.00 C ATOM 0 H THR A 12 6.528 11.336 -8.146 1.00 0.00 H new ATOM 0 HA THR A 12 5.946 12.671 -10.731 1.00 0.00 H new ATOM 0 HB THR A 12 8.125 12.507 -9.216 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.048 12.007 -12.038 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.538 10.546 -9.739 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.025 10.052 -8.943 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.213 9.847 -10.701 1.00 0.00 H new ATOM 189 N CYS A 13 5.176 9.698 -10.503 1.00 0.00 N ATOM 190 CA CYS A 13 4.745 8.482 -11.246 1.00 0.00 C ATOM 191 C CYS A 13 3.501 7.879 -10.593 1.00 0.00 C ATOM 192 O CYS A 13 2.950 8.435 -9.667 1.00 0.00 O ATOM 193 CB CYS A 13 5.933 7.550 -11.204 1.00 0.00 C ATOM 194 SG CYS A 13 6.333 6.987 -12.878 1.00 0.00 S ATOM 0 H CYS A 13 4.813 9.772 -9.553 1.00 0.00 H new ATOM 0 HA CYS A 13 4.461 8.692 -12.277 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.792 8.060 -10.768 1.00 0.00 H new ATOM 0 HB3 CYS A 13 5.713 6.694 -10.566 1.00 0.00 H new ATOM 0 HG CYS A 13 7.357 6.188 -12.834 1.00 0.00 H new ATOM 200 N PRO A 14 3.149 6.708 -11.053 1.00 0.00 N ATOM 201 CA PRO A 14 2.000 5.981 -10.476 1.00 0.00 C ATOM 202 C PRO A 14 2.427 5.194 -9.234 1.00 0.00 C ATOM 203 O PRO A 14 3.190 4.252 -9.320 1.00 0.00 O ATOM 204 CB PRO A 14 1.589 5.035 -11.597 1.00 0.00 C ATOM 205 CG PRO A 14 2.827 4.820 -12.417 1.00 0.00 C ATOM 206 CD PRO A 14 3.777 5.963 -12.147 1.00 0.00 C ATOM 0 HA PRO A 14 1.194 6.640 -10.153 1.00 0.00 H new ATOM 0 HB2 PRO A 14 1.215 4.092 -11.197 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.789 5.465 -12.200 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.293 3.869 -12.159 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.578 4.775 -13.477 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.765 5.600 -11.865 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.907 6.588 -13.030 1.00 0.00 H new ATOM 214 N TYR A 15 1.939 5.567 -8.082 1.00 0.00 N ATOM 215 CA TYR A 15 2.319 4.831 -6.843 1.00 0.00 C ATOM 216 C TYR A 15 2.138 3.324 -7.063 1.00 0.00 C ATOM 217 O TYR A 15 2.842 2.714 -7.845 1.00 0.00 O ATOM 218 CB TYR A 15 1.355 5.339 -5.771 1.00 0.00 C ATOM 219 CG TYR A 15 1.191 6.834 -5.907 1.00 0.00 C ATOM 220 CD1 TYR A 15 2.320 7.663 -5.936 1.00 0.00 C ATOM 221 CD2 TYR A 15 -0.088 7.392 -6.002 1.00 0.00 C ATOM 222 CE1 TYR A 15 2.168 9.048 -6.064 1.00 0.00 C ATOM 223 CE2 TYR A 15 -0.241 8.778 -6.130 1.00 0.00 C ATOM 224 CZ TYR A 15 0.888 9.606 -6.159 1.00 0.00 C ATOM 225 OH TYR A 15 0.738 10.972 -6.284 1.00 0.00 O ATOM 0 H TYR A 15 1.296 6.347 -7.946 1.00 0.00 H new ATOM 0 HA TYR A 15 3.359 4.993 -6.560 1.00 0.00 H new ATOM 0 HB2 TYR A 15 0.388 4.846 -5.873 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.735 5.093 -4.779 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.308 7.233 -5.860 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.958 6.753 -5.977 1.00 0.00 H new ATOM 0 HE1 TYR A 15 3.039 9.687 -6.089 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.229 9.208 -6.206 1.00 0.00 H new ATOM 0 HH TYR A 15 -0.215 11.193 -6.339 1.00 0.00 H new ATOM 235 N CYS A 16 1.197 2.717 -6.388 1.00 0.00 N ATOM 236 CA CYS A 16 0.972 1.253 -6.572 1.00 0.00 C ATOM 237 C CYS A 16 -0.492 0.895 -6.278 1.00 0.00 C ATOM 238 O CYS A 16 -0.773 -0.127 -5.683 1.00 0.00 O ATOM 239 CB CYS A 16 1.899 0.582 -5.559 1.00 0.00 C ATOM 240 SG CYS A 16 3.609 0.687 -6.145 1.00 0.00 S ATOM 0 H CYS A 16 0.576 3.171 -5.718 1.00 0.00 H new ATOM 0 HA CYS A 16 1.177 0.931 -7.593 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.806 1.067 -4.587 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.613 -0.461 -5.423 1.00 0.00 H new ATOM 0 HG CYS A 16 3.677 1.523 -7.138 1.00 0.00 H new ATOM 246 N PRO A 17 -1.376 1.758 -6.701 1.00 0.00 N ATOM 247 CA PRO A 17 -2.829 1.538 -6.475 1.00 0.00 C ATOM 248 C PRO A 17 -3.386 0.496 -7.452 1.00 0.00 C ATOM 249 O PRO A 17 -4.581 0.422 -7.671 1.00 0.00 O ATOM 250 CB PRO A 17 -3.440 2.907 -6.764 1.00 0.00 C ATOM 251 CG PRO A 17 -2.478 3.576 -7.696 1.00 0.00 C ATOM 252 CD PRO A 17 -1.109 3.010 -7.417 1.00 0.00 C ATOM 0 HA PRO A 17 -3.048 1.165 -5.474 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.426 2.810 -7.218 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.566 3.484 -5.848 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -2.762 3.398 -8.733 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.485 4.655 -7.544 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.557 2.831 -8.339 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.511 3.693 -6.815 1.00 0.00 H new ATOM 260 N MET A 18 -2.536 -0.283 -8.071 1.00 0.00 N ATOM 261 CA MET A 18 -3.048 -1.308 -9.028 1.00 0.00 C ATOM 262 C MET A 18 -3.259 -2.662 -8.359 1.00 0.00 C ATOM 263 O MET A 18 -4.358 -3.149 -8.234 1.00 0.00 O ATOM 264 CB MET A 18 -1.961 -1.413 -10.095 1.00 0.00 C ATOM 265 CG MET A 18 -2.108 -2.739 -10.845 1.00 0.00 C ATOM 266 SD MET A 18 -0.984 -3.966 -10.132 1.00 0.00 S ATOM 267 CE MET A 18 -0.280 -4.560 -11.689 1.00 0.00 C ATOM 0 H MET A 18 -1.523 -0.255 -7.957 1.00 0.00 H new ATOM 0 HA MET A 18 -4.019 -1.022 -9.432 1.00 0.00 H new ATOM 0 HB2 MET A 18 -2.039 -0.578 -10.792 1.00 0.00 H new ATOM 0 HB3 MET A 18 -0.976 -1.352 -9.633 1.00 0.00 H new ATOM 0 HG2 MET A 18 -3.137 -3.093 -10.781 1.00 0.00 H new ATOM 0 HG3 MET A 18 -1.885 -2.597 -11.902 1.00 0.00 H new ATOM 0 HE1 MET A 18 0.454 -5.339 -11.483 1.00 0.00 H new ATOM 0 HE2 MET A 18 -1.074 -4.966 -12.316 1.00 0.00 H new ATOM 0 HE3 MET A 18 0.205 -3.733 -12.208 1.00 0.00 H new ATOM 277 N ALA A 19 -2.191 -3.268 -7.905 1.00 0.00 N ATOM 278 CA ALA A 19 -2.323 -4.592 -7.243 1.00 0.00 C ATOM 279 C ALA A 19 -3.302 -4.492 -6.082 1.00 0.00 C ATOM 280 O ALA A 19 -3.885 -5.469 -5.654 1.00 0.00 O ATOM 281 CB ALA A 19 -0.922 -4.922 -6.741 1.00 0.00 C ATOM 0 H ALA A 19 -1.241 -2.902 -7.966 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.702 -5.362 -7.915 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.934 -5.889 -6.238 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.233 -4.961 -7.585 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.596 -4.153 -6.041 1.00 0.00 H new ATOM 287 N ILE A 20 -3.494 -3.308 -5.574 1.00 0.00 N ATOM 288 CA ILE A 20 -4.441 -3.130 -4.442 1.00 0.00 C ATOM 289 C ILE A 20 -5.871 -3.307 -4.941 1.00 0.00 C ATOM 290 O ILE A 20 -6.697 -3.914 -4.289 1.00 0.00 O ATOM 291 CB ILE A 20 -4.218 -1.700 -3.951 1.00 0.00 C ATOM 292 CG1 ILE A 20 -4.976 -0.725 -4.853 1.00 0.00 C ATOM 293 CG2 ILE A 20 -2.724 -1.372 -3.991 1.00 0.00 C ATOM 294 CD1 ILE A 20 -6.475 -0.818 -4.561 1.00 0.00 C ATOM 0 H ILE A 20 -3.035 -2.455 -5.895 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.280 -3.856 -3.645 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.583 -1.609 -2.928 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.624 0.293 -4.683 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -4.784 -0.958 -5.900 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.566 -0.352 -3.641 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.182 -2.065 -3.347 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.358 -1.465 -5.014 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.015 -0.123 -5.204 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.821 -1.834 -4.753 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.659 -0.564 -3.517 1.00 0.00 H new ATOM 306 N GLU A 21 -6.163 -2.802 -6.106 1.00 0.00 N ATOM 307 CA GLU A 21 -7.532 -2.965 -6.655 1.00 0.00 C ATOM 308 C GLU A 21 -7.928 -4.432 -6.531 1.00 0.00 C ATOM 309 O GLU A 21 -9.079 -4.767 -6.335 1.00 0.00 O ATOM 310 CB GLU A 21 -7.426 -2.544 -8.120 1.00 0.00 C ATOM 311 CG GLU A 21 -8.752 -2.826 -8.830 1.00 0.00 C ATOM 312 CD GLU A 21 -8.476 -3.320 -10.251 1.00 0.00 C ATOM 313 OE1 GLU A 21 -7.948 -4.412 -10.385 1.00 0.00 O ATOM 314 OE2 GLU A 21 -8.798 -2.599 -11.181 1.00 0.00 O ATOM 0 H GLU A 21 -5.513 -2.285 -6.699 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.284 -2.373 -6.134 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.183 -1.484 -8.188 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.617 -3.088 -8.608 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.320 -3.574 -8.278 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.360 -1.922 -8.860 1.00 0.00 H new ATOM 321 N VAL A 22 -6.967 -5.310 -6.627 1.00 0.00 N ATOM 322 CA VAL A 22 -7.270 -6.762 -6.495 1.00 0.00 C ATOM 323 C VAL A 22 -7.606 -7.078 -5.038 1.00 0.00 C ATOM 324 O VAL A 22 -8.563 -7.761 -4.742 1.00 0.00 O ATOM 325 CB VAL A 22 -5.991 -7.482 -6.925 1.00 0.00 C ATOM 326 CG1 VAL A 22 -5.937 -8.863 -6.269 1.00 0.00 C ATOM 327 CG2 VAL A 22 -5.985 -7.641 -8.447 1.00 0.00 C ATOM 0 H VAL A 22 -5.986 -5.084 -6.791 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.122 -7.071 -7.101 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.124 -6.899 -6.615 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.025 -9.376 -6.576 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.943 -8.751 -5.185 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.804 -9.447 -6.579 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.074 -8.154 -8.756 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.852 -8.225 -8.755 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -6.024 -6.658 -8.916 1.00 0.00 H new ATOM 337 N VAL A 23 -6.833 -6.565 -4.125 1.00 0.00 N ATOM 338 CA VAL A 23 -7.110 -6.794 -2.683 1.00 0.00 C ATOM 339 C VAL A 23 -8.389 -6.055 -2.293 1.00 0.00 C ATOM 340 O VAL A 23 -9.073 -6.413 -1.357 1.00 0.00 O ATOM 341 CB VAL A 23 -5.901 -6.264 -1.930 1.00 0.00 C ATOM 342 CG1 VAL A 23 -6.339 -5.136 -0.998 1.00 0.00 C ATOM 343 CG2 VAL A 23 -5.282 -7.397 -1.108 1.00 0.00 C ATOM 0 H VAL A 23 -6.013 -5.991 -4.319 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.265 -7.847 -2.449 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.165 -5.883 -2.638 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.473 -4.754 -0.457 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.784 -4.332 -1.584 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.073 -5.516 -0.287 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.414 -7.021 -0.566 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.017 -7.775 -0.398 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.973 -8.203 -1.774 1.00 0.00 H new ATOM 353 N ASP A 24 -8.700 -5.003 -3.000 1.00 0.00 N ATOM 354 CA ASP A 24 -9.927 -4.229 -2.687 1.00 0.00 C ATOM 355 C ASP A 24 -11.121 -5.032 -3.178 1.00 0.00 C ATOM 356 O ASP A 24 -12.161 -5.097 -2.553 1.00 0.00 O ATOM 357 CB ASP A 24 -9.794 -2.926 -3.466 1.00 0.00 C ATOM 358 CG ASP A 24 -10.715 -1.868 -2.857 1.00 0.00 C ATOM 359 OD1 ASP A 24 -11.829 -2.217 -2.502 1.00 0.00 O ATOM 360 OD2 ASP A 24 -10.293 -0.729 -2.760 1.00 0.00 O ATOM 0 H ASP A 24 -8.152 -4.648 -3.784 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.058 -4.031 -1.623 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.761 -2.580 -3.442 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.052 -3.088 -4.513 1.00 0.00 H new ATOM 365 N GLU A 25 -10.953 -5.650 -4.307 1.00 0.00 N ATOM 366 CA GLU A 25 -12.033 -6.476 -4.888 1.00 0.00 C ATOM 367 C GLU A 25 -12.415 -7.586 -3.909 1.00 0.00 C ATOM 368 O GLU A 25 -13.575 -7.858 -3.675 1.00 0.00 O ATOM 369 CB GLU A 25 -11.409 -7.057 -6.154 1.00 0.00 C ATOM 370 CG GLU A 25 -12.193 -6.584 -7.379 1.00 0.00 C ATOM 371 CD GLU A 25 -12.727 -7.796 -8.144 1.00 0.00 C ATOM 372 OE1 GLU A 25 -12.643 -8.891 -7.613 1.00 0.00 O ATOM 373 OE2 GLU A 25 -13.209 -7.609 -9.249 1.00 0.00 O ATOM 0 H GLU A 25 -10.097 -5.616 -4.860 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.944 -5.915 -5.097 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.368 -6.745 -6.234 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.413 -8.146 -6.106 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -13.019 -5.943 -7.070 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.551 -5.986 -8.026 1.00 0.00 H new ATOM 380 N ALA A 26 -11.436 -8.228 -3.334 1.00 0.00 N ATOM 381 CA ALA A 26 -11.722 -9.321 -2.362 1.00 0.00 C ATOM 382 C ALA A 26 -12.077 -8.741 -0.998 1.00 0.00 C ATOM 383 O ALA A 26 -12.963 -9.218 -0.317 1.00 0.00 O ATOM 384 CB ALA A 26 -10.425 -10.116 -2.275 1.00 0.00 C ATOM 0 H ALA A 26 -10.446 -8.042 -3.496 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.565 -9.937 -2.674 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.551 -10.943 -1.576 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.172 -10.508 -3.260 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.623 -9.466 -1.926 1.00 0.00 H new ATOM 390 N LYS A 27 -11.389 -7.707 -0.588 1.00 0.00 N ATOM 391 CA LYS A 27 -11.695 -7.119 0.742 1.00 0.00 C ATOM 392 C LYS A 27 -13.072 -6.467 0.694 1.00 0.00 C ATOM 393 O LYS A 27 -13.745 -6.337 1.698 1.00 0.00 O ATOM 394 CB LYS A 27 -10.599 -6.072 0.968 1.00 0.00 C ATOM 395 CG LYS A 27 -9.345 -6.768 1.509 1.00 0.00 C ATOM 396 CD LYS A 27 -9.753 -7.944 2.402 1.00 0.00 C ATOM 397 CE LYS A 27 -9.993 -9.190 1.540 1.00 0.00 C ATOM 398 NZ LYS A 27 -8.633 -9.655 1.151 1.00 0.00 N ATOM 0 H LYS A 27 -10.640 -7.252 -1.110 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.713 -7.856 1.545 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.371 -5.559 0.034 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.942 -5.314 1.672 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.729 -7.123 0.683 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.741 -6.060 2.076 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.973 -8.143 3.136 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.657 -7.695 2.957 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.529 -9.958 2.097 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.596 -8.954 0.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.581 -10.690 1.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.442 -9.383 0.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.925 -9.218 1.775 1.00 0.00 H new ATOM 412 N LYS A 28 -13.520 -6.116 -0.476 1.00 0.00 N ATOM 413 CA LYS A 28 -14.878 -5.529 -0.602 1.00 0.00 C ATOM 414 C LYS A 28 -15.892 -6.630 -0.324 1.00 0.00 C ATOM 415 O LYS A 28 -16.848 -6.457 0.406 1.00 0.00 O ATOM 416 CB LYS A 28 -14.968 -5.080 -2.056 1.00 0.00 C ATOM 417 CG LYS A 28 -15.149 -3.562 -2.116 1.00 0.00 C ATOM 418 CD LYS A 28 -14.539 -3.027 -3.413 1.00 0.00 C ATOM 419 CE LYS A 28 -15.522 -3.241 -4.567 1.00 0.00 C ATOM 420 NZ LYS A 28 -15.100 -2.271 -5.616 1.00 0.00 N ATOM 0 H LYS A 28 -13.004 -6.211 -1.351 1.00 0.00 H new ATOM 0 HA LYS A 28 -15.068 -4.704 0.085 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -14.065 -5.370 -2.593 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -15.805 -5.576 -2.549 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -16.208 -3.309 -2.068 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -14.670 -3.094 -1.256 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -14.310 -1.967 -3.309 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -13.599 -3.537 -3.623 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -15.480 -4.266 -4.937 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -16.549 -3.058 -4.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -15.727 -2.357 -6.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -15.157 -1.304 -5.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -14.121 -2.474 -5.903 1.00 0.00 H new ATOM 434 N GLU A 29 -15.657 -7.778 -0.897 1.00 0.00 N ATOM 435 CA GLU A 29 -16.562 -8.936 -0.684 1.00 0.00 C ATOM 436 C GLU A 29 -16.792 -9.120 0.811 1.00 0.00 C ATOM 437 O GLU A 29 -17.894 -9.367 1.262 1.00 0.00 O ATOM 438 CB GLU A 29 -15.777 -10.115 -1.269 1.00 0.00 C ATOM 439 CG GLU A 29 -15.434 -11.129 -0.172 1.00 0.00 C ATOM 440 CD GLU A 29 -16.576 -12.136 -0.030 1.00 0.00 C ATOM 441 OE1 GLU A 29 -16.948 -12.726 -1.030 1.00 0.00 O ATOM 442 OE2 GLU A 29 -17.059 -12.300 1.079 1.00 0.00 O ATOM 0 H GLU A 29 -14.864 -7.963 -1.512 1.00 0.00 H new ATOM 0 HA GLU A 29 -17.543 -8.824 -1.145 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -16.364 -10.599 -2.049 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.862 -9.753 -1.737 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -14.507 -11.647 -0.418 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -15.270 -10.614 0.775 1.00 0.00 H new ATOM 449 N PHE A 30 -15.765 -8.949 1.585 1.00 0.00 N ATOM 450 CA PHE A 30 -15.904 -9.101 3.055 1.00 0.00 C ATOM 451 C PHE A 30 -16.279 -7.748 3.659 1.00 0.00 C ATOM 452 O PHE A 30 -17.249 -7.632 4.389 1.00 0.00 O ATOM 453 CB PHE A 30 -14.515 -9.546 3.542 1.00 0.00 C ATOM 454 CG PHE A 30 -14.015 -8.596 4.606 1.00 0.00 C ATOM 455 CD1 PHE A 30 -14.812 -8.308 5.719 1.00 0.00 C ATOM 456 CD2 PHE A 30 -12.754 -8.003 4.475 1.00 0.00 C ATOM 457 CE1 PHE A 30 -14.348 -7.428 6.702 1.00 0.00 C ATOM 458 CE2 PHE A 30 -12.291 -7.123 5.458 1.00 0.00 C ATOM 459 CZ PHE A 30 -13.087 -6.834 6.571 1.00 0.00 C ATOM 0 H PHE A 30 -14.828 -8.709 1.262 1.00 0.00 H new ATOM 0 HA PHE A 30 -16.675 -9.817 3.341 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -14.567 -10.559 3.942 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -13.817 -9.569 2.705 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -15.785 -8.765 5.819 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -12.139 -8.225 3.615 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -14.962 -7.207 7.562 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.318 -6.666 5.358 1.00 0.00 H new ATOM 0 HZ PHE A 30 -12.729 -6.153 7.329 1.00 0.00 H new ATOM 469 N GLY A 31 -15.499 -6.741 3.405 1.00 0.00 N ATOM 470 CA GLY A 31 -15.796 -5.383 3.937 1.00 0.00 C ATOM 471 C GLY A 31 -16.523 -4.531 2.895 1.00 0.00 C ATOM 472 O GLY A 31 -15.902 -3.681 2.268 1.00 0.00 O ATOM 0 H GLY A 31 -14.651 -6.801 2.841 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.409 -5.467 4.835 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -14.868 -4.892 4.229 1.00 0.00 H new ATOM 476 N ASP A 32 -17.783 -4.732 2.690 1.00 0.00 N ATOM 477 CA ASP A 32 -18.502 -3.916 1.671 1.00 0.00 C ATOM 478 C ASP A 32 -17.920 -2.498 1.613 1.00 0.00 C ATOM 479 O ASP A 32 -18.027 -1.815 0.617 1.00 0.00 O ATOM 480 CB ASP A 32 -19.950 -3.874 2.179 1.00 0.00 C ATOM 481 CG ASP A 32 -20.528 -2.473 1.974 1.00 0.00 C ATOM 482 OD1 ASP A 32 -20.318 -1.918 0.908 1.00 0.00 O ATOM 483 OD2 ASP A 32 -21.170 -1.978 2.886 1.00 0.00 O ATOM 0 H ASP A 32 -18.353 -5.423 3.179 1.00 0.00 H new ATOM 0 HA ASP A 32 -18.418 -4.332 0.667 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -20.554 -4.609 1.646 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -19.983 -4.140 3.235 1.00 0.00 H new ATOM 488 N LYS A 33 -17.317 -2.049 2.675 1.00 0.00 N ATOM 489 CA LYS A 33 -16.688 -0.698 2.702 1.00 0.00 C ATOM 490 C LYS A 33 -15.265 -0.750 2.145 1.00 0.00 C ATOM 491 O LYS A 33 -14.619 -1.783 2.194 1.00 0.00 O ATOM 492 CB LYS A 33 -16.719 -0.250 4.145 1.00 0.00 C ATOM 493 CG LYS A 33 -18.128 0.232 4.508 1.00 0.00 C ATOM 494 CD LYS A 33 -18.551 -0.393 5.839 1.00 0.00 C ATOM 495 CE LYS A 33 -19.571 -1.504 5.579 1.00 0.00 C ATOM 496 NZ LYS A 33 -18.794 -2.771 5.689 1.00 0.00 N ATOM 0 H LYS A 33 -17.231 -2.572 3.546 1.00 0.00 H new ATOM 0 HA LYS A 33 -17.225 0.011 2.072 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -16.427 -1.073 4.797 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -15.998 0.553 4.302 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -18.145 1.319 4.583 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -18.832 -0.044 3.723 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -17.681 -0.797 6.356 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -18.983 0.368 6.489 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -20.382 -1.474 6.306 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -20.023 -1.402 4.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -19.226 -3.497 5.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -17.813 -2.604 5.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -18.800 -3.097 6.677 1.00 0.00 H new ATOM 510 N ILE A 34 -14.753 0.340 1.649 1.00 0.00 N ATOM 511 CA ILE A 34 -13.358 0.313 1.131 1.00 0.00 C ATOM 512 C ILE A 34 -12.532 1.459 1.723 1.00 0.00 C ATOM 513 O ILE A 34 -13.037 2.521 2.025 1.00 0.00 O ATOM 514 CB ILE A 34 -13.514 0.506 -0.381 1.00 0.00 C ATOM 515 CG1 ILE A 34 -14.977 0.284 -0.776 1.00 0.00 C ATOM 516 CG2 ILE A 34 -12.631 -0.502 -1.116 1.00 0.00 C ATOM 517 CD1 ILE A 34 -15.350 -1.182 -0.548 1.00 0.00 C ATOM 0 H ILE A 34 -15.232 1.238 1.580 1.00 0.00 H new ATOM 0 HA ILE A 34 -12.841 -0.610 1.392 1.00 0.00 H new ATOM 0 HB ILE A 34 -13.214 1.519 -0.651 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -15.626 0.931 -0.187 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -15.127 0.550 -1.822 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -12.741 -0.366 -2.192 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -11.589 -0.346 -0.835 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -12.932 -1.514 -0.846 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -16.391 -1.340 -0.829 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -14.709 -1.819 -1.157 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -15.216 -1.432 0.504 1.00 0.00 H new ATOM 529 N ASP A 35 -11.254 1.243 1.878 1.00 0.00 N ATOM 530 CA ASP A 35 -10.372 2.297 2.442 1.00 0.00 C ATOM 531 C ASP A 35 -8.966 2.138 1.867 1.00 0.00 C ATOM 532 O ASP A 35 -8.045 1.733 2.552 1.00 0.00 O ATOM 533 CB ASP A 35 -10.370 2.056 3.954 1.00 0.00 C ATOM 534 CG ASP A 35 -9.729 3.250 4.663 1.00 0.00 C ATOM 535 OD1 ASP A 35 -8.812 3.825 4.101 1.00 0.00 O ATOM 536 OD2 ASP A 35 -10.166 3.570 5.757 1.00 0.00 O ATOM 0 H ASP A 35 -10.782 0.372 1.635 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.712 3.304 2.202 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -11.390 1.913 4.311 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.820 1.144 4.186 1.00 0.00 H new ATOM 541 N VAL A 36 -8.790 2.461 0.613 1.00 0.00 N ATOM 542 CA VAL A 36 -7.444 2.298 0.011 1.00 0.00 C ATOM 543 C VAL A 36 -6.654 3.594 0.167 1.00 0.00 C ATOM 544 O VAL A 36 -6.983 4.624 -0.382 1.00 0.00 O ATOM 545 CB VAL A 36 -7.721 2.034 -1.485 1.00 0.00 C ATOM 546 CG1 VAL A 36 -6.407 2.071 -2.267 1.00 0.00 C ATOM 547 CG2 VAL A 36 -8.369 0.658 -1.644 1.00 0.00 C ATOM 0 H VAL A 36 -9.512 2.825 -0.009 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.868 1.499 0.478 1.00 0.00 H new ATOM 0 HB VAL A 36 -8.391 2.802 -1.871 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -6.606 1.884 -3.322 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.943 3.051 -2.153 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.734 1.304 -1.884 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -8.566 0.468 -2.699 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.697 -0.108 -1.257 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -9.307 0.631 -1.089 1.00 0.00 H new ATOM 557 N GLU A 37 -5.557 3.530 0.893 1.00 0.00 N ATOM 558 CA GLU A 37 -4.765 4.776 1.093 1.00 0.00 C ATOM 559 C GLU A 37 -3.576 4.749 0.131 1.00 0.00 C ATOM 560 O GLU A 37 -2.955 3.747 -0.105 1.00 0.00 O ATOM 561 CB GLU A 37 -4.233 4.663 2.543 1.00 0.00 C ATOM 562 CG GLU A 37 -5.401 4.769 3.521 1.00 0.00 C ATOM 563 CD GLU A 37 -4.905 4.510 4.944 1.00 0.00 C ATOM 564 OE1 GLU A 37 -3.936 3.784 5.090 1.00 0.00 O ATOM 565 OE2 GLU A 37 -5.504 5.043 5.865 1.00 0.00 O ATOM 0 H GLU A 37 -5.190 2.691 1.341 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.343 5.685 0.923 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.715 3.714 2.679 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.508 5.453 2.739 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.853 5.759 3.457 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.175 4.048 3.258 1.00 0.00 H new ATOM 572 N LYS A 38 -3.290 5.868 -0.474 1.00 0.00 N ATOM 573 CA LYS A 38 -2.190 5.931 -1.471 1.00 0.00 C ATOM 574 C LYS A 38 -1.394 7.227 -1.348 1.00 0.00 C ATOM 575 O LYS A 38 -1.969 8.304 -1.343 1.00 0.00 O ATOM 576 CB LYS A 38 -2.820 5.799 -2.840 1.00 0.00 C ATOM 577 CG LYS A 38 -4.341 5.884 -2.714 1.00 0.00 C ATOM 578 CD LYS A 38 -4.732 7.230 -2.100 1.00 0.00 C ATOM 579 CE LYS A 38 -5.687 7.963 -3.044 1.00 0.00 C ATOM 580 NZ LYS A 38 -6.806 8.425 -2.176 1.00 0.00 N ATOM 0 H LYS A 38 -3.778 6.750 -0.317 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.478 5.124 -1.299 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.455 6.588 -3.497 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.535 4.849 -3.293 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -4.804 5.772 -3.695 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.710 5.068 -2.092 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.208 7.076 -1.132 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.842 7.834 -1.925 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.193 8.803 -3.532 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.046 7.303 -3.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.504 8.938 -2.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.262 7.603 -1.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.435 9.057 -1.438 1.00 0.00 H new ATOM 594 N ILE A 39 -0.108 7.146 -1.215 1.00 0.00 N ATOM 595 CA ILE A 39 0.723 8.377 -1.089 1.00 0.00 C ATOM 596 C ILE A 39 2.017 8.212 -1.900 1.00 0.00 C ATOM 597 O ILE A 39 2.248 7.196 -2.518 1.00 0.00 O ATOM 598 CB ILE A 39 1.033 8.503 0.382 1.00 0.00 C ATOM 599 CG1 ILE A 39 0.843 7.140 1.057 1.00 0.00 C ATOM 600 CG2 ILE A 39 0.094 9.524 1.023 1.00 0.00 C ATOM 601 CD1 ILE A 39 0.736 7.332 2.571 1.00 0.00 C ATOM 0 H ILE A 39 0.415 6.271 -1.187 1.00 0.00 H new ATOM 0 HA ILE A 39 0.212 9.263 -1.467 1.00 0.00 H new ATOM 0 HB ILE A 39 2.063 8.835 0.508 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.056 6.656 0.676 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.682 6.485 0.821 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.322 9.611 2.085 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.228 10.493 0.542 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.938 9.197 0.899 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.601 6.363 3.052 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.648 7.798 2.944 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.117 7.972 2.797 1.00 0.00 H new ATOM 613 N ASP A 40 2.826 9.232 -1.964 1.00 0.00 N ATOM 614 CA ASP A 40 4.111 9.158 -2.700 1.00 0.00 C ATOM 615 C ASP A 40 5.317 9.279 -1.761 1.00 0.00 C ATOM 616 O ASP A 40 5.174 9.620 -0.606 1.00 0.00 O ATOM 617 CB ASP A 40 4.026 10.240 -3.735 1.00 0.00 C ATOM 618 CG ASP A 40 4.140 11.593 -3.048 1.00 0.00 C ATOM 619 OD1 ASP A 40 5.220 11.904 -2.576 1.00 0.00 O ATOM 620 OD2 ASP A 40 3.148 12.301 -3.006 1.00 0.00 O ATOM 0 H ASP A 40 2.642 10.134 -1.525 1.00 0.00 H new ATOM 0 HA ASP A 40 4.267 8.190 -3.177 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.823 10.122 -4.469 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.082 10.171 -4.276 1.00 0.00 H new ATOM 625 N ILE A 41 6.499 9.087 -2.270 1.00 0.00 N ATOM 626 CA ILE A 41 7.719 9.257 -1.428 1.00 0.00 C ATOM 627 C ILE A 41 7.866 10.693 -0.912 1.00 0.00 C ATOM 628 O ILE A 41 8.770 11.001 -0.164 1.00 0.00 O ATOM 629 CB ILE A 41 8.887 8.895 -2.348 1.00 0.00 C ATOM 630 CG1 ILE A 41 10.201 9.305 -1.681 1.00 0.00 C ATOM 631 CG2 ILE A 41 8.738 9.628 -3.680 1.00 0.00 C ATOM 632 CD1 ILE A 41 10.196 8.852 -0.219 1.00 0.00 C ATOM 0 H ILE A 41 6.677 8.818 -3.238 1.00 0.00 H new ATOM 0 HA ILE A 41 7.674 8.628 -0.539 1.00 0.00 H new ATOM 0 HB ILE A 41 8.889 7.820 -2.529 1.00 0.00 H new ATOM 0 HG12 ILE A 41 11.044 8.858 -2.208 1.00 0.00 H new ATOM 0 HG13 ILE A 41 10.328 10.386 -1.737 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.571 9.368 -4.333 1.00 0.00 H new ATOM 0 HG22 ILE A 41 7.801 9.335 -4.153 1.00 0.00 H new ATOM 0 HG23 ILE A 41 8.736 10.704 -3.505 1.00 0.00 H new ATOM 0 HD11 ILE A 41 11.133 9.144 0.256 1.00 0.00 H new ATOM 0 HD12 ILE A 41 9.362 9.320 0.304 1.00 0.00 H new ATOM 0 HD13 ILE A 41 10.090 7.768 -0.174 1.00 0.00 H new ATOM 644 N MET A 42 7.011 11.584 -1.337 1.00 0.00 N ATOM 645 CA MET A 42 7.113 12.993 -0.874 1.00 0.00 C ATOM 646 C MET A 42 6.105 13.279 0.248 1.00 0.00 C ATOM 647 O MET A 42 6.227 14.243 0.975 1.00 0.00 O ATOM 648 CB MET A 42 6.821 13.830 -2.107 1.00 0.00 C ATOM 649 CG MET A 42 5.405 14.388 -2.024 1.00 0.00 C ATOM 650 SD MET A 42 5.459 16.077 -1.375 1.00 0.00 S ATOM 651 CE MET A 42 5.245 16.933 -2.954 1.00 0.00 C ATOM 0 H MET A 42 6.247 11.394 -1.985 1.00 0.00 H new ATOM 0 HA MET A 42 8.094 13.218 -0.454 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.540 14.646 -2.184 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.931 13.223 -3.005 1.00 0.00 H new ATOM 0 HG2 MET A 42 4.941 14.381 -3.010 1.00 0.00 H new ATOM 0 HG3 MET A 42 4.792 13.759 -1.379 1.00 0.00 H new ATOM 0 HE1 MET A 42 5.248 18.010 -2.787 1.00 0.00 H new ATOM 0 HE2 MET A 42 6.061 16.667 -3.625 1.00 0.00 H new ATOM 0 HE3 MET A 42 4.296 16.638 -3.402 1.00 0.00 H new ATOM 661 N VAL A 43 5.100 12.455 0.380 1.00 0.00 N ATOM 662 CA VAL A 43 4.072 12.707 1.431 1.00 0.00 C ATOM 663 C VAL A 43 4.136 11.617 2.498 1.00 0.00 C ATOM 664 O VAL A 43 3.945 11.873 3.671 1.00 0.00 O ATOM 665 CB VAL A 43 2.722 12.663 0.711 1.00 0.00 C ATOM 666 CG1 VAL A 43 2.914 13.016 -0.762 1.00 0.00 C ATOM 667 CG2 VAL A 43 2.131 11.256 0.824 1.00 0.00 C ATOM 0 H VAL A 43 4.947 11.623 -0.190 1.00 0.00 H new ATOM 0 HA VAL A 43 4.230 13.663 1.930 1.00 0.00 H new ATOM 0 HB VAL A 43 2.044 13.383 1.170 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.951 12.984 -1.272 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.335 14.018 -0.844 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.593 12.298 -1.223 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.169 11.223 0.312 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.811 10.538 0.366 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.991 11.004 1.875 1.00 0.00 H new ATOM 677 N ASP A 44 4.391 10.400 2.105 1.00 0.00 N ATOM 678 CA ASP A 44 4.449 9.301 3.106 1.00 0.00 C ATOM 679 C ASP A 44 5.862 8.729 3.209 1.00 0.00 C ATOM 680 O ASP A 44 6.065 7.531 3.113 1.00 0.00 O ATOM 681 CB ASP A 44 3.471 8.248 2.589 1.00 0.00 C ATOM 682 CG ASP A 44 3.781 6.896 3.236 1.00 0.00 C ATOM 683 OD1 ASP A 44 4.405 6.892 4.283 1.00 0.00 O ATOM 684 OD2 ASP A 44 3.387 5.888 2.673 1.00 0.00 O ATOM 0 H ASP A 44 4.561 10.121 1.139 1.00 0.00 H new ATOM 0 HA ASP A 44 4.189 9.646 4.107 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.447 8.545 2.817 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.546 8.169 1.504 1.00 0.00 H new ATOM 689 N ARG A 45 6.846 9.570 3.419 1.00 0.00 N ATOM 690 CA ARG A 45 8.231 9.028 3.514 1.00 0.00 C ATOM 691 C ARG A 45 8.352 8.146 4.758 1.00 0.00 C ATOM 692 O ARG A 45 9.324 7.447 4.944 1.00 0.00 O ATOM 693 CB ARG A 45 9.106 10.288 3.715 1.00 0.00 C ATOM 694 CG ARG A 45 10.576 9.930 3.491 1.00 0.00 C ATOM 695 CD ARG A 45 11.451 11.160 3.746 1.00 0.00 C ATOM 696 NE ARG A 45 12.840 10.708 3.457 1.00 0.00 N ATOM 697 CZ ARG A 45 13.845 11.513 3.669 1.00 0.00 C ATOM 698 NH1 ARG A 45 13.802 12.741 3.231 1.00 0.00 N ATOM 699 NH2 ARG A 45 14.893 11.090 4.322 1.00 0.00 N ATOM 0 H ARG A 45 6.753 10.580 3.526 1.00 0.00 H new ATOM 0 HA ARG A 45 8.512 8.433 2.645 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.801 11.070 3.020 1.00 0.00 H new ATOM 0 HB3 ARG A 45 8.966 10.684 4.721 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.869 9.119 4.158 1.00 0.00 H new ATOM 0 HG3 ARG A 45 10.722 9.573 2.472 1.00 0.00 H new ATOM 0 HD2 ARG A 45 11.163 11.990 3.101 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.354 11.507 4.775 1.00 0.00 H new ATOM 0 HE ARG A 45 13.006 9.770 3.093 1.00 0.00 H new ATOM 0 HH11 ARG A 45 12.982 13.073 2.722 1.00 0.00 H new ATOM 0 HH12 ARG A 45 14.588 13.370 3.397 1.00 0.00 H new ATOM 0 HH21 ARG A 45 14.926 10.130 4.666 1.00 0.00 H new ATOM 0 HH22 ARG A 45 15.679 11.719 4.488 1.00 0.00 H new ATOM 713 N GLU A 46 7.323 8.103 5.557 1.00 0.00 N ATOM 714 CA GLU A 46 7.317 7.216 6.750 1.00 0.00 C ATOM 715 C GLU A 46 7.479 5.761 6.321 1.00 0.00 C ATOM 716 O GLU A 46 7.750 4.893 7.125 1.00 0.00 O ATOM 717 CB GLU A 46 5.986 7.457 7.448 1.00 0.00 C ATOM 718 CG GLU A 46 4.864 6.867 6.606 1.00 0.00 C ATOM 719 CD GLU A 46 3.846 6.186 7.521 1.00 0.00 C ATOM 720 OE1 GLU A 46 4.263 5.406 8.361 1.00 0.00 O ATOM 721 OE2 GLU A 46 2.667 6.454 7.364 1.00 0.00 O ATOM 0 H GLU A 46 6.474 8.654 5.431 1.00 0.00 H new ATOM 0 HA GLU A 46 8.144 7.431 7.427 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.993 7.000 8.437 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.826 8.526 7.592 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.379 7.652 6.025 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.268 6.147 5.894 1.00 0.00 H new ATOM 728 N LYS A 47 7.286 5.478 5.061 1.00 0.00 N ATOM 729 CA LYS A 47 7.410 4.070 4.606 1.00 0.00 C ATOM 730 C LYS A 47 8.746 3.512 5.071 1.00 0.00 C ATOM 731 O LYS A 47 8.823 2.507 5.740 1.00 0.00 O ATOM 732 CB LYS A 47 7.411 4.120 3.075 1.00 0.00 C ATOM 733 CG LYS A 47 8.545 3.226 2.555 1.00 0.00 C ATOM 734 CD LYS A 47 8.327 1.794 3.039 1.00 0.00 C ATOM 735 CE LYS A 47 9.637 1.017 2.919 1.00 0.00 C ATOM 736 NZ LYS A 47 9.573 -0.012 3.993 1.00 0.00 N ATOM 0 H LYS A 47 7.050 6.156 4.336 1.00 0.00 H new ATOM 0 HA LYS A 47 6.605 3.449 4.998 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.452 3.779 2.685 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.549 5.145 2.730 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.573 3.253 1.466 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.507 3.598 2.908 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.985 1.796 4.074 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.549 1.312 2.447 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.734 0.556 1.936 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.498 1.672 3.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.035 -0.884 3.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.061 0.341 4.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.579 -0.212 4.223 1.00 0.00 H new ATOM 750 N ALA A 48 9.794 4.130 4.676 1.00 0.00 N ATOM 751 CA ALA A 48 11.150 3.734 5.068 1.00 0.00 C ATOM 752 C ALA A 48 11.342 3.887 6.560 1.00 0.00 C ATOM 753 O ALA A 48 12.443 3.747 7.057 1.00 0.00 O ATOM 754 CB ALA A 48 12.114 4.455 4.201 1.00 0.00 C ATOM 0 H ALA A 48 9.765 4.943 4.060 1.00 0.00 H new ATOM 0 HA ALA A 48 11.333 2.673 4.901 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.131 4.175 4.476 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.934 4.191 3.159 1.00 0.00 H new ATOM 0 HB3 ALA A 48 11.986 5.530 4.330 1.00 0.00 H new ATOM 760 N ILE A 49 10.347 4.340 7.271 1.00 0.00 N ATOM 761 CA ILE A 49 10.574 4.546 8.711 1.00 0.00 C ATOM 762 C ILE A 49 11.515 3.422 9.107 1.00 0.00 C ATOM 763 O ILE A 49 12.465 3.599 9.842 1.00 0.00 O ATOM 764 CB ILE A 49 9.200 4.385 9.375 1.00 0.00 C ATOM 765 CG1 ILE A 49 8.423 3.247 8.697 1.00 0.00 C ATOM 766 CG2 ILE A 49 8.416 5.690 9.233 1.00 0.00 C ATOM 767 CD1 ILE A 49 6.928 3.411 8.976 1.00 0.00 C ATOM 0 H ILE A 49 9.416 4.568 6.923 1.00 0.00 H new ATOM 0 HA ILE A 49 10.995 5.512 8.990 1.00 0.00 H new ATOM 0 HB ILE A 49 9.335 4.148 10.430 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.606 3.257 7.623 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.770 2.283 9.070 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.439 5.580 9.703 1.00 0.00 H new ATOM 0 HG22 ILE A 49 8.964 6.498 9.718 1.00 0.00 H new ATOM 0 HG23 ILE A 49 8.286 5.923 8.176 1.00 0.00 H new ATOM 0 HD11 ILE A 49 6.377 2.603 8.494 1.00 0.00 H new ATOM 0 HD12 ILE A 49 6.753 3.379 10.051 1.00 0.00 H new ATOM 0 HD13 ILE A 49 6.587 4.368 8.581 1.00 0.00 H new ATOM 779 N GLU A 50 11.279 2.275 8.537 1.00 0.00 N ATOM 780 CA GLU A 50 12.159 1.111 8.774 1.00 0.00 C ATOM 781 C GLU A 50 13.609 1.505 8.466 1.00 0.00 C ATOM 782 O GLU A 50 14.493 1.320 9.279 1.00 0.00 O ATOM 783 CB GLU A 50 11.651 0.062 7.786 1.00 0.00 C ATOM 784 CG GLU A 50 10.816 -0.976 8.532 1.00 0.00 C ATOM 785 CD GLU A 50 11.227 -2.381 8.088 1.00 0.00 C ATOM 786 OE1 GLU A 50 11.232 -2.624 6.892 1.00 0.00 O ATOM 787 OE2 GLU A 50 11.528 -3.190 8.950 1.00 0.00 O ATOM 0 H GLU A 50 10.498 2.097 7.906 1.00 0.00 H new ATOM 0 HA GLU A 50 12.141 0.746 9.801 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.051 0.538 7.010 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.491 -0.421 7.288 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.958 -0.867 9.607 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.756 -0.816 8.333 1.00 0.00 H new ATOM 794 N TYR A 51 13.862 2.061 7.305 1.00 0.00 N ATOM 795 CA TYR A 51 15.265 2.476 6.978 1.00 0.00 C ATOM 796 C TYR A 51 15.315 3.962 6.634 1.00 0.00 C ATOM 797 O TYR A 51 16.312 4.630 6.822 1.00 0.00 O ATOM 798 CB TYR A 51 15.676 1.654 5.755 1.00 0.00 C ATOM 799 CG TYR A 51 14.619 1.731 4.679 1.00 0.00 C ATOM 800 CD1 TYR A 51 13.364 1.154 4.883 1.00 0.00 C ATOM 801 CD2 TYR A 51 14.907 2.366 3.466 1.00 0.00 C ATOM 802 CE1 TYR A 51 12.396 1.211 3.876 1.00 0.00 C ATOM 803 CE2 TYR A 51 13.939 2.428 2.460 1.00 0.00 C ATOM 804 CZ TYR A 51 12.682 1.848 2.664 1.00 0.00 C ATOM 805 OH TYR A 51 11.727 1.904 1.669 1.00 0.00 O ATOM 0 H TYR A 51 13.170 2.244 6.579 1.00 0.00 H new ATOM 0 HA TYR A 51 15.931 2.309 7.825 1.00 0.00 H new ATOM 0 HB2 TYR A 51 16.625 2.022 5.366 1.00 0.00 H new ATOM 0 HB3 TYR A 51 15.832 0.615 6.045 1.00 0.00 H new ATOM 0 HD1 TYR A 51 13.141 0.664 5.819 1.00 0.00 H new ATOM 0 HD2 TYR A 51 15.879 2.809 3.307 1.00 0.00 H new ATOM 0 HE1 TYR A 51 11.426 0.763 4.034 1.00 0.00 H new ATOM 0 HE2 TYR A 51 14.161 2.923 1.526 1.00 0.00 H new ATOM 0 HH TYR A 51 11.261 2.765 1.711 1.00 0.00 H new ATOM 815 N GLY A 52 14.239 4.471 6.129 1.00 0.00 N ATOM 816 CA GLY A 52 14.175 5.908 5.743 1.00 0.00 C ATOM 817 C GLY A 52 15.479 6.356 5.075 1.00 0.00 C ATOM 818 O GLY A 52 15.721 7.529 4.900 1.00 0.00 O ATOM 0 H GLY A 52 13.380 3.947 5.961 1.00 0.00 H new ATOM 0 HA2 GLY A 52 13.339 6.068 5.062 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.987 6.518 6.627 1.00 0.00 H new ATOM 822 N LEU A 53 16.310 5.443 4.680 1.00 0.00 N ATOM 823 CA LEU A 53 17.571 5.789 3.974 1.00 0.00 C ATOM 824 C LEU A 53 17.255 5.922 2.484 1.00 0.00 C ATOM 825 O LEU A 53 17.413 6.939 1.855 1.00 0.00 O ATOM 826 CB LEU A 53 18.567 4.698 4.278 1.00 0.00 C ATOM 827 CG LEU A 53 18.551 4.398 5.778 1.00 0.00 C ATOM 828 CD1 LEU A 53 19.867 3.725 6.175 1.00 0.00 C ATOM 829 CD2 LEU A 53 18.391 5.702 6.563 1.00 0.00 C ATOM 0 H LEU A 53 16.166 4.443 4.820 1.00 0.00 H new ATOM 0 HA LEU A 53 18.001 6.736 4.299 1.00 0.00 H new ATOM 0 HB2 LEU A 53 18.321 3.799 3.714 1.00 0.00 H new ATOM 0 HB3 LEU A 53 19.566 5.006 3.968 1.00 0.00 H new ATOM 0 HG LEU A 53 17.716 3.735 6.005 1.00 0.00 H new ATOM 0 HD11 LEU A 53 19.858 3.510 7.244 1.00 0.00 H new ATOM 0 HD12 LEU A 53 19.982 2.795 5.619 1.00 0.00 H new ATOM 0 HD13 LEU A 53 20.699 4.390 5.946 1.00 0.00 H new ATOM 0 HD21 LEU A 53 18.380 5.485 7.631 1.00 0.00 H new ATOM 0 HD22 LEU A 53 19.224 6.367 6.337 1.00 0.00 H new ATOM 0 HD23 LEU A 53 17.455 6.184 6.281 1.00 0.00 H new ATOM 841 N MET A 54 16.870 4.809 1.915 1.00 0.00 N ATOM 842 CA MET A 54 16.511 4.750 0.481 1.00 0.00 C ATOM 843 C MET A 54 14.989 4.639 0.385 1.00 0.00 C ATOM 844 O MET A 54 14.470 3.682 -0.177 1.00 0.00 O ATOM 845 CB MET A 54 17.190 3.507 -0.048 1.00 0.00 C ATOM 846 CG MET A 54 18.695 3.758 -0.167 1.00 0.00 C ATOM 847 SD MET A 54 19.560 2.173 -0.293 1.00 0.00 S ATOM 848 CE MET A 54 20.846 2.706 -1.448 1.00 0.00 C ATOM 0 H MET A 54 16.790 3.918 2.405 1.00 0.00 H new ATOM 0 HA MET A 54 16.822 5.625 -0.089 1.00 0.00 H new ATOM 0 HB2 MET A 54 17.003 2.666 0.619 1.00 0.00 H new ATOM 0 HB3 MET A 54 16.777 3.240 -1.021 1.00 0.00 H new ATOM 0 HG2 MET A 54 18.905 4.370 -1.044 1.00 0.00 H new ATOM 0 HG3 MET A 54 19.052 4.312 0.701 1.00 0.00 H new ATOM 0 HE1 MET A 54 21.507 1.868 -1.669 1.00 0.00 H new ATOM 0 HE2 MET A 54 20.384 3.057 -2.371 1.00 0.00 H new ATOM 0 HE3 MET A 54 21.424 3.515 -1.001 1.00 0.00 H new ATOM 858 N ALA A 55 14.278 5.576 0.928 1.00 0.00 N ATOM 859 CA ALA A 55 12.796 5.450 0.933 1.00 0.00 C ATOM 860 C ALA A 55 12.177 6.273 -0.200 1.00 0.00 C ATOM 861 O ALA A 55 12.095 7.473 -0.180 1.00 0.00 O ATOM 862 CB ALA A 55 12.397 6.086 2.282 1.00 0.00 C ATOM 0 H ALA A 55 14.650 6.418 1.366 1.00 0.00 H new ATOM 0 HA ALA A 55 12.464 4.420 0.803 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.314 6.049 2.396 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.867 5.535 3.097 1.00 0.00 H new ATOM 0 HB3 ALA A 55 12.729 7.124 2.307 1.00 0.00 H new ATOM 868 N VAL A 56 11.710 5.570 -1.214 1.00 0.00 N ATOM 869 CA VAL A 56 11.065 6.256 -2.367 1.00 0.00 C ATOM 870 C VAL A 56 9.947 5.383 -2.944 1.00 0.00 C ATOM 871 O VAL A 56 8.787 5.756 -2.886 1.00 0.00 O ATOM 872 CB VAL A 56 12.172 6.470 -3.402 1.00 0.00 C ATOM 873 CG1 VAL A 56 12.293 7.963 -3.713 1.00 0.00 C ATOM 874 CG2 VAL A 56 13.503 5.959 -2.843 1.00 0.00 C ATOM 0 H VAL A 56 11.752 4.553 -1.284 1.00 0.00 H new ATOM 0 HA VAL A 56 10.612 7.202 -2.071 1.00 0.00 H new ATOM 0 HB VAL A 56 11.927 5.924 -4.313 1.00 0.00 H new ATOM 0 HG11 VAL A 56 13.081 8.118 -4.450 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.347 8.330 -4.111 1.00 0.00 H new ATOM 0 HG13 VAL A 56 12.538 8.506 -2.800 1.00 0.00 H new ATOM 0 HG21 VAL A 56 14.290 6.112 -3.581 1.00 0.00 H new ATOM 0 HG22 VAL A 56 13.749 6.505 -1.932 1.00 0.00 H new ATOM 0 HG23 VAL A 56 13.419 4.896 -2.617 1.00 0.00 H new ATOM 884 N PRO A 57 10.304 4.207 -3.405 1.00 0.00 N ATOM 885 CA PRO A 57 9.290 3.291 -3.959 1.00 0.00 C ATOM 886 C PRO A 57 8.908 2.233 -2.928 1.00 0.00 C ATOM 887 O PRO A 57 9.623 1.322 -2.619 1.00 0.00 O ATOM 888 CB PRO A 57 10.100 2.587 -5.082 1.00 0.00 C ATOM 889 CG PRO A 57 11.551 2.684 -4.677 1.00 0.00 C ATOM 890 CD PRO A 57 11.656 3.666 -3.526 1.00 0.00 C ATOM 0 HA PRO A 57 8.375 3.793 -4.273 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.794 1.546 -5.189 1.00 0.00 H new ATOM 0 HB3 PRO A 57 9.931 3.069 -6.045 1.00 0.00 H new ATOM 0 HG2 PRO A 57 11.929 1.706 -4.378 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.159 3.017 -5.518 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.973 3.173 -2.607 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.384 4.450 -3.734 1.00 0.00 H new ATOM 898 N ALA A 58 7.735 2.395 -2.341 1.00 0.00 N ATOM 899 CA ALA A 58 7.295 1.437 -1.289 1.00 0.00 C ATOM 900 C ALA A 58 5.783 1.481 -1.087 1.00 0.00 C ATOM 901 O ALA A 58 5.064 2.188 -1.767 1.00 0.00 O ATOM 902 CB ALA A 58 8.016 1.848 -0.015 1.00 0.00 C ATOM 0 H ALA A 58 7.077 3.145 -2.550 1.00 0.00 H new ATOM 0 HA ALA A 58 7.535 0.413 -1.576 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.732 1.178 0.796 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.093 1.791 -0.172 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.741 2.870 0.245 1.00 0.00 H new ATOM 908 N ILE A 59 5.303 0.708 -0.155 1.00 0.00 N ATOM 909 CA ILE A 59 3.846 0.680 0.125 1.00 0.00 C ATOM 910 C ILE A 59 3.620 0.375 1.603 1.00 0.00 C ATOM 911 O ILE A 59 4.237 -0.515 2.160 1.00 0.00 O ATOM 912 CB ILE A 59 3.317 -0.463 -0.745 1.00 0.00 C ATOM 913 CG1 ILE A 59 2.809 0.107 -2.072 1.00 0.00 C ATOM 914 CG2 ILE A 59 2.172 -1.173 -0.023 1.00 0.00 C ATOM 915 CD1 ILE A 59 3.399 -0.696 -3.233 1.00 0.00 C ATOM 0 H ILE A 59 5.865 0.089 0.429 1.00 0.00 H new ATOM 0 HA ILE A 59 3.348 1.626 -0.091 1.00 0.00 H new ATOM 0 HB ILE A 59 4.119 -1.177 -0.935 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.720 0.066 -2.104 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.091 1.156 -2.161 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.798 -1.986 -0.645 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.533 -1.577 0.923 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.367 -0.463 0.169 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.037 -0.290 -4.177 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.487 -0.632 -3.204 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.094 -1.739 -3.146 1.00 0.00 H new ATOM 927 N ALA A 60 2.703 1.067 2.241 1.00 0.00 N ATOM 928 CA ALA A 60 2.499 0.758 3.677 1.00 0.00 C ATOM 929 C ALA A 60 1.621 -0.472 3.744 1.00 0.00 C ATOM 930 O ALA A 60 0.657 -0.627 3.014 1.00 0.00 O ATOM 931 CB ALA A 60 1.732 1.989 4.237 1.00 0.00 C ATOM 0 H ALA A 60 2.115 1.800 1.844 1.00 0.00 H new ATOM 0 HA ALA A 60 3.419 0.574 4.231 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.538 1.844 5.300 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.334 2.887 4.097 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.786 2.100 3.708 1.00 0.00 H new ATOM 937 N ILE A 61 1.929 -1.361 4.680 1.00 0.00 N ATOM 938 CA ILE A 61 1.117 -2.598 4.669 1.00 0.00 C ATOM 939 C ILE A 61 -0.085 -2.321 5.563 1.00 0.00 C ATOM 940 O ILE A 61 -0.211 -2.701 6.694 1.00 0.00 O ATOM 941 CB ILE A 61 2.069 -3.580 5.456 1.00 0.00 C ATOM 942 CG1 ILE A 61 3.532 -3.256 5.123 1.00 0.00 C ATOM 943 CG2 ILE A 61 1.757 -5.017 5.045 1.00 0.00 C ATOM 944 CD1 ILE A 61 4.376 -4.525 5.234 1.00 0.00 C ATOM 0 H ILE A 61 2.654 -1.281 5.393 1.00 0.00 H new ATOM 0 HA ILE A 61 0.792 -2.952 3.691 1.00 0.00 H new ATOM 0 HB ILE A 61 1.911 -3.463 6.528 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.604 -2.846 4.116 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.911 -2.494 5.805 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.412 -5.700 5.586 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.718 -5.246 5.282 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.918 -5.132 3.973 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.414 -4.293 4.997 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.314 -4.916 6.250 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.003 -5.273 4.534 1.00 0.00 H new ATOM 956 N ASN A 62 -1.090 -1.728 4.919 1.00 0.00 N ATOM 957 CA ASN A 62 -2.361 -1.425 5.625 1.00 0.00 C ATOM 958 C ASN A 62 -2.751 -2.629 6.457 1.00 0.00 C ATOM 959 O ASN A 62 -3.528 -3.464 6.037 1.00 0.00 O ATOM 960 CB ASN A 62 -3.381 -1.156 4.529 1.00 0.00 C ATOM 961 CG ASN A 62 -3.897 0.280 4.641 1.00 0.00 C ATOM 962 OD1 ASN A 62 -4.697 0.585 5.502 1.00 0.00 O ATOM 963 ND2 ASN A 62 -3.469 1.182 3.800 1.00 0.00 N ATOM 0 H ASN A 62 -1.065 -1.450 3.938 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.286 -0.570 6.297 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.927 -1.314 3.551 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.211 -1.858 4.612 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.807 2.142 3.866 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.797 0.927 3.076 1.00 0.00 H new ATOM 970 N GLY A 63 -2.189 -2.727 7.623 1.00 0.00 N ATOM 971 CA GLY A 63 -2.460 -3.879 8.519 1.00 0.00 C ATOM 972 C GLY A 63 -1.338 -3.914 9.555 1.00 0.00 C ATOM 973 O GLY A 63 -1.564 -4.094 10.734 1.00 0.00 O ATOM 0 H GLY A 63 -1.537 -2.040 8.002 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.430 -3.770 9.005 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.490 -4.809 7.952 1.00 0.00 H new ATOM 977 N VAL A 64 -0.118 -3.737 9.108 1.00 0.00 N ATOM 978 CA VAL A 64 1.031 -3.752 10.048 1.00 0.00 C ATOM 979 C VAL A 64 1.895 -2.481 9.901 1.00 0.00 C ATOM 980 O VAL A 64 2.061 -1.741 10.849 1.00 0.00 O ATOM 981 CB VAL A 64 1.811 -5.009 9.675 1.00 0.00 C ATOM 982 CG1 VAL A 64 0.866 -6.207 9.726 1.00 0.00 C ATOM 983 CG2 VAL A 64 2.366 -4.878 8.259 1.00 0.00 C ATOM 0 H VAL A 64 0.125 -3.583 8.129 1.00 0.00 H new ATOM 0 HA VAL A 64 0.713 -3.762 11.090 1.00 0.00 H new ATOM 0 HB VAL A 64 2.636 -5.144 10.374 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.412 -7.113 9.461 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.461 -6.309 10.733 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.049 -6.056 9.020 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.921 -5.780 8.001 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.543 -4.745 7.557 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.030 -4.015 8.207 1.00 0.00 H new ATOM 993 N VAL A 65 2.448 -2.204 8.736 1.00 0.00 N ATOM 994 CA VAL A 65 3.291 -0.968 8.611 1.00 0.00 C ATOM 995 C VAL A 65 3.529 -0.572 7.146 1.00 0.00 C ATOM 996 O VAL A 65 2.649 -0.066 6.476 1.00 0.00 O ATOM 997 CB VAL A 65 4.621 -1.331 9.276 1.00 0.00 C ATOM 998 CG1 VAL A 65 5.602 -0.166 9.122 1.00 0.00 C ATOM 999 CG2 VAL A 65 4.391 -1.607 10.762 1.00 0.00 C ATOM 0 H VAL A 65 2.355 -2.765 7.889 1.00 0.00 H new ATOM 0 HA VAL A 65 2.799 -0.113 9.075 1.00 0.00 H new ATOM 0 HB VAL A 65 5.033 -2.221 8.800 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.550 -0.423 9.595 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.767 0.033 8.063 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.188 0.723 9.598 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.338 -1.865 11.235 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.979 -0.717 11.238 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.692 -2.435 10.874 1.00 0.00 H new ATOM 1009 N ARG A 66 4.729 -0.787 6.660 1.00 0.00 N ATOM 1010 CA ARG A 66 5.073 -0.412 5.254 1.00 0.00 C ATOM 1011 C ARG A 66 6.346 -1.152 4.822 1.00 0.00 C ATOM 1012 O ARG A 66 7.050 -1.718 5.633 1.00 0.00 O ATOM 1013 CB ARG A 66 5.330 1.100 5.318 1.00 0.00 C ATOM 1014 CG ARG A 66 5.254 1.702 3.912 1.00 0.00 C ATOM 1015 CD ARG A 66 4.499 3.035 3.962 1.00 0.00 C ATOM 1016 NE ARG A 66 4.495 3.429 5.398 1.00 0.00 N ATOM 1017 CZ ARG A 66 3.475 4.076 5.894 1.00 0.00 C ATOM 1018 NH1 ARG A 66 2.823 4.933 5.156 1.00 0.00 N ATOM 1019 NH2 ARG A 66 3.107 3.866 7.129 1.00 0.00 N ATOM 0 H ARG A 66 5.493 -1.212 7.186 1.00 0.00 H new ATOM 0 HA ARG A 66 4.291 -0.669 4.540 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.594 1.575 5.967 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.311 1.293 5.753 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.258 1.856 3.517 1.00 0.00 H new ATOM 0 HG3 ARG A 66 4.748 1.012 3.237 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.991 3.789 3.348 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.484 2.927 3.581 1.00 0.00 H new ATOM 0 HE ARG A 66 5.289 3.194 5.994 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.110 5.098 4.191 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.026 5.438 5.544 1.00 0.00 H new ATOM 0 HH21 ARG A 66 3.616 3.197 7.706 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.310 4.371 7.517 1.00 0.00 H new ATOM 1033 N PHE A 67 6.635 -1.177 3.545 1.00 0.00 N ATOM 1034 CA PHE A 67 7.848 -1.915 3.077 1.00 0.00 C ATOM 1035 C PHE A 67 8.500 -1.204 1.889 1.00 0.00 C ATOM 1036 O PHE A 67 8.030 -0.188 1.422 1.00 0.00 O ATOM 1037 CB PHE A 67 7.332 -3.287 2.651 1.00 0.00 C ATOM 1038 CG PHE A 67 7.145 -3.337 1.149 1.00 0.00 C ATOM 1039 CD1 PHE A 67 6.708 -2.206 0.446 1.00 0.00 C ATOM 1040 CD2 PHE A 67 7.403 -4.527 0.461 1.00 0.00 C ATOM 1041 CE1 PHE A 67 6.530 -2.268 -0.940 1.00 0.00 C ATOM 1042 CE2 PHE A 67 7.226 -4.586 -0.925 1.00 0.00 C ATOM 1043 CZ PHE A 67 6.790 -3.458 -1.625 1.00 0.00 C ATOM 0 H PHE A 67 6.089 -0.723 2.812 1.00 0.00 H new ATOM 0 HA PHE A 67 8.607 -1.977 3.856 1.00 0.00 H new ATOM 0 HB2 PHE A 67 8.035 -4.060 2.962 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.386 -3.497 3.149 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.509 -1.286 0.975 1.00 0.00 H new ATOM 0 HD2 PHE A 67 7.739 -5.400 1.000 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.192 -1.396 -1.481 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.427 -5.505 -1.455 1.00 0.00 H new ATOM 0 HZ PHE A 67 6.654 -3.506 -2.695 1.00 0.00 H new ATOM 1053 N VAL A 68 9.599 -1.726 1.411 1.00 0.00 N ATOM 1054 CA VAL A 68 10.285 -1.116 0.238 1.00 0.00 C ATOM 1055 C VAL A 68 9.806 -1.783 -1.047 1.00 0.00 C ATOM 1056 O VAL A 68 10.024 -2.970 -1.239 1.00 0.00 O ATOM 1057 CB VAL A 68 11.767 -1.330 0.464 1.00 0.00 C ATOM 1058 CG1 VAL A 68 12.550 -0.570 -0.606 1.00 0.00 C ATOM 1059 CG2 VAL A 68 12.155 -0.808 1.851 1.00 0.00 C ATOM 0 H VAL A 68 10.054 -2.557 1.788 1.00 0.00 H new ATOM 0 HA VAL A 68 10.066 -0.053 0.137 1.00 0.00 H new ATOM 0 HB VAL A 68 11.998 -2.393 0.403 1.00 0.00 H new ATOM 0 HG11 VAL A 68 13.618 -0.719 -0.450 1.00 0.00 H new ATOM 0 HG12 VAL A 68 12.272 -0.941 -1.593 1.00 0.00 H new ATOM 0 HG13 VAL A 68 12.319 0.493 -0.540 1.00 0.00 H new ATOM 0 HG21 VAL A 68 13.222 -0.963 2.013 1.00 0.00 H new ATOM 0 HG22 VAL A 68 11.929 0.256 1.916 1.00 0.00 H new ATOM 0 HG23 VAL A 68 11.591 -1.346 2.613 1.00 0.00 H new ATOM 1069 N GLY A 69 9.173 -1.065 -1.917 1.00 0.00 N ATOM 1070 CA GLY A 69 8.710 -1.688 -3.187 1.00 0.00 C ATOM 1071 C GLY A 69 8.395 -0.611 -4.218 1.00 0.00 C ATOM 1072 O GLY A 69 7.596 0.271 -3.982 1.00 0.00 O ATOM 0 H GLY A 69 8.953 -0.075 -1.810 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.478 -2.358 -3.573 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.823 -2.294 -3.001 1.00 0.00 H new ATOM 1076 N ALA A 70 8.965 -0.700 -5.378 1.00 0.00 N ATOM 1077 CA ALA A 70 8.658 0.306 -6.417 1.00 0.00 C ATOM 1078 C ALA A 70 7.530 -0.228 -7.298 1.00 0.00 C ATOM 1079 O ALA A 70 6.375 0.069 -7.053 1.00 0.00 O ATOM 1080 CB ALA A 70 9.967 0.485 -7.175 1.00 0.00 C ATOM 0 H ALA A 70 9.629 -1.424 -5.651 1.00 0.00 H new ATOM 0 HA ALA A 70 8.313 1.264 -6.027 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.830 1.219 -7.969 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.740 0.832 -6.489 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.269 -0.468 -7.609 1.00 0.00 H new ATOM 1086 N PRO A 71 7.870 -1.041 -8.265 1.00 0.00 N ATOM 1087 CA PRO A 71 6.819 -1.624 -9.117 1.00 0.00 C ATOM 1088 C PRO A 71 6.191 -2.814 -8.393 1.00 0.00 C ATOM 1089 O PRO A 71 5.629 -3.703 -8.999 1.00 0.00 O ATOM 1090 CB PRO A 71 7.592 -2.107 -10.347 1.00 0.00 C ATOM 1091 CG PRO A 71 8.992 -2.343 -9.866 1.00 0.00 C ATOM 1092 CD PRO A 71 9.216 -1.462 -8.660 1.00 0.00 C ATOM 0 HA PRO A 71 6.016 -0.929 -9.364 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.156 -3.020 -10.752 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.570 -1.363 -11.143 1.00 0.00 H new ATOM 0 HG2 PRO A 71 9.136 -3.392 -9.606 1.00 0.00 H new ATOM 0 HG3 PRO A 71 9.711 -2.108 -10.651 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.714 -2.005 -7.857 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.845 -0.606 -8.904 1.00 0.00 H new ATOM 1100 N SER A 72 6.281 -2.834 -7.084 1.00 0.00 N ATOM 1101 CA SER A 72 5.696 -3.974 -6.318 1.00 0.00 C ATOM 1102 C SER A 72 4.317 -3.621 -5.756 1.00 0.00 C ATOM 1103 O SER A 72 4.144 -3.474 -4.564 1.00 0.00 O ATOM 1104 CB SER A 72 6.684 -4.228 -5.181 1.00 0.00 C ATOM 1105 OG SER A 72 7.580 -5.266 -5.558 1.00 0.00 O ATOM 0 H SER A 72 6.731 -2.114 -6.519 1.00 0.00 H new ATOM 0 HA SER A 72 5.551 -4.850 -6.951 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.239 -3.317 -4.956 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.148 -4.507 -4.274 1.00 0.00 H new ATOM 0 HG SER A 72 8.216 -5.429 -4.831 1.00 0.00 H new ATOM 1111 N ARG A 73 3.328 -3.502 -6.598 1.00 0.00 N ATOM 1112 CA ARG A 73 1.961 -3.182 -6.101 1.00 0.00 C ATOM 1113 C ARG A 73 1.332 -4.435 -5.493 1.00 0.00 C ATOM 1114 O ARG A 73 0.601 -4.372 -4.525 1.00 0.00 O ATOM 1115 CB ARG A 73 1.187 -2.714 -7.329 1.00 0.00 C ATOM 1116 CG ARG A 73 1.953 -1.576 -8.009 1.00 0.00 C ATOM 1117 CD ARG A 73 1.001 -0.780 -8.904 1.00 0.00 C ATOM 1118 NE ARG A 73 0.949 -1.543 -10.182 1.00 0.00 N ATOM 1119 CZ ARG A 73 1.092 -0.921 -11.320 1.00 0.00 C ATOM 1120 NH1 ARG A 73 2.240 -0.383 -11.631 1.00 0.00 N ATOM 1121 NH2 ARG A 73 0.086 -0.836 -12.148 1.00 0.00 N ATOM 0 H ARG A 73 3.408 -3.613 -7.609 1.00 0.00 H new ATOM 0 HA ARG A 73 1.962 -2.418 -5.323 1.00 0.00 H new ATOM 0 HB2 ARG A 73 1.051 -3.542 -8.024 1.00 0.00 H new ATOM 0 HB3 ARG A 73 0.193 -2.375 -7.039 1.00 0.00 H new ATOM 0 HG2 ARG A 73 2.395 -0.921 -7.258 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.774 -1.980 -8.602 1.00 0.00 H new ATOM 0 HD2 ARG A 73 0.012 -0.696 -8.453 1.00 0.00 H new ATOM 0 HD3 ARG A 73 1.365 0.235 -9.064 1.00 0.00 H new ATOM 0 HE ARG A 73 0.802 -2.552 -10.168 1.00 0.00 H new ATOM 0 HH11 ARG A 73 3.026 -0.449 -10.984 1.00 0.00 H new ATOM 0 HH12 ARG A 73 2.351 0.103 -12.521 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -0.811 -1.256 -11.905 1.00 0.00 H new ATOM 0 HH22 ARG A 73 0.197 -0.350 -13.038 1.00 0.00 H new ATOM 1135 N GLU A 74 1.614 -5.580 -6.054 1.00 0.00 N ATOM 1136 CA GLU A 74 1.044 -6.842 -5.506 1.00 0.00 C ATOM 1137 C GLU A 74 1.264 -6.892 -3.997 1.00 0.00 C ATOM 1138 O GLU A 74 0.470 -7.440 -3.258 1.00 0.00 O ATOM 1139 CB GLU A 74 1.797 -7.968 -6.209 1.00 0.00 C ATOM 1140 CG GLU A 74 0.803 -9.023 -6.698 1.00 0.00 C ATOM 1141 CD GLU A 74 0.639 -8.905 -8.215 1.00 0.00 C ATOM 1142 OE1 GLU A 74 0.878 -7.828 -8.736 1.00 0.00 O ATOM 1143 OE2 GLU A 74 0.277 -9.895 -8.830 1.00 0.00 O ATOM 0 H GLU A 74 2.216 -5.695 -6.870 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.030 -6.923 -5.675 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.364 -7.570 -7.051 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.516 -8.420 -5.526 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.157 -10.020 -6.436 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.160 -8.887 -6.206 1.00 0.00 H new ATOM 1150 N GLU A 75 2.342 -6.325 -3.532 1.00 0.00 N ATOM 1151 CA GLU A 75 2.608 -6.338 -2.071 1.00 0.00 C ATOM 1152 C GLU A 75 1.371 -5.837 -1.329 1.00 0.00 C ATOM 1153 O GLU A 75 0.991 -6.366 -0.303 1.00 0.00 O ATOM 1154 CB GLU A 75 3.777 -5.374 -1.884 1.00 0.00 C ATOM 1155 CG GLU A 75 5.006 -6.155 -1.420 1.00 0.00 C ATOM 1156 CD GLU A 75 5.243 -5.898 0.069 1.00 0.00 C ATOM 1157 OE1 GLU A 75 4.657 -4.963 0.589 1.00 0.00 O ATOM 1158 OE2 GLU A 75 6.008 -6.640 0.664 1.00 0.00 O ATOM 0 H GLU A 75 3.047 -5.855 -4.100 1.00 0.00 H new ATOM 0 HA GLU A 75 2.837 -7.332 -1.686 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.992 -4.858 -2.820 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.519 -4.610 -1.151 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.861 -7.221 -1.597 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.881 -5.852 -1.996 1.00 0.00 H new ATOM 1165 N LEU A 76 0.729 -4.830 -1.855 1.00 0.00 N ATOM 1166 CA LEU A 76 -0.498 -4.306 -1.195 1.00 0.00 C ATOM 1167 C LEU A 76 -1.581 -5.382 -1.215 1.00 0.00 C ATOM 1168 O LEU A 76 -2.325 -5.551 -0.270 1.00 0.00 O ATOM 1169 CB LEU A 76 -0.925 -3.105 -2.037 1.00 0.00 C ATOM 1170 CG LEU A 76 -0.006 -1.920 -1.740 1.00 0.00 C ATOM 1171 CD1 LEU A 76 1.176 -1.935 -2.711 1.00 0.00 C ATOM 1172 CD2 LEU A 76 -0.787 -0.616 -1.908 1.00 0.00 C ATOM 0 H LEU A 76 1.001 -4.349 -2.712 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.328 -4.027 -0.155 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.881 -3.356 -3.097 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.959 -2.841 -1.815 1.00 0.00 H new ATOM 0 HG LEU A 76 0.364 -1.994 -0.717 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.831 -1.090 -2.499 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.733 -2.865 -2.592 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.807 -1.861 -3.734 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.133 0.230 -1.696 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.156 -0.542 -2.931 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.629 -0.605 -1.217 1.00 0.00 H new ATOM 1184 N PHE A 77 -1.668 -6.118 -2.290 1.00 0.00 N ATOM 1185 CA PHE A 77 -2.696 -7.188 -2.368 1.00 0.00 C ATOM 1186 C PHE A 77 -2.465 -8.213 -1.256 1.00 0.00 C ATOM 1187 O PHE A 77 -3.381 -8.662 -0.601 1.00 0.00 O ATOM 1188 CB PHE A 77 -2.503 -7.831 -3.747 1.00 0.00 C ATOM 1189 CG PHE A 77 -2.343 -9.323 -3.593 1.00 0.00 C ATOM 1190 CD1 PHE A 77 -1.119 -9.857 -3.173 1.00 0.00 C ATOM 1191 CD2 PHE A 77 -3.419 -10.175 -3.869 1.00 0.00 C ATOM 1192 CE1 PHE A 77 -0.971 -11.240 -3.029 1.00 0.00 C ATOM 1193 CE2 PHE A 77 -3.271 -11.559 -3.723 1.00 0.00 C ATOM 1194 CZ PHE A 77 -2.047 -12.092 -3.305 1.00 0.00 C ATOM 0 H PHE A 77 -1.073 -6.023 -3.113 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.708 -6.802 -2.243 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.359 -7.611 -4.385 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.625 -7.410 -4.236 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.288 -9.200 -2.960 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -4.363 -9.764 -4.195 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.026 -11.651 -2.705 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -4.102 -12.216 -3.933 1.00 0.00 H new ATOM 0 HZ PHE A 77 -1.932 -13.160 -3.195 1.00 0.00 H new ATOM 1204 N GLU A 78 -1.237 -8.578 -1.039 1.00 0.00 N ATOM 1205 CA GLU A 78 -0.906 -9.551 0.036 1.00 0.00 C ATOM 1206 C GLU A 78 -0.913 -8.847 1.394 1.00 0.00 C ATOM 1207 O GLU A 78 -1.049 -9.464 2.430 1.00 0.00 O ATOM 1208 CB GLU A 78 0.466 -10.105 -0.309 1.00 0.00 C ATOM 1209 CG GLU A 78 0.774 -11.305 0.588 1.00 0.00 C ATOM 1210 CD GLU A 78 1.872 -10.927 1.582 1.00 0.00 C ATOM 1211 OE1 GLU A 78 2.534 -9.929 1.351 1.00 0.00 O ATOM 1212 OE2 GLU A 78 2.032 -11.641 2.559 1.00 0.00 O ATOM 0 H GLU A 78 -0.434 -8.238 -1.569 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.634 -10.359 0.103 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.496 -10.404 -1.357 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.225 -9.334 -0.176 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.125 -11.614 1.122 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.093 -12.153 -0.018 1.00 0.00 H new ATOM 1219 N ALA A 79 -0.723 -7.553 1.395 1.00 0.00 N ATOM 1220 CA ALA A 79 -0.689 -6.809 2.683 1.00 0.00 C ATOM 1221 C ALA A 79 -2.107 -6.699 3.245 1.00 0.00 C ATOM 1222 O ALA A 79 -2.318 -6.792 4.437 1.00 0.00 O ATOM 1223 CB ALA A 79 -0.140 -5.426 2.336 1.00 0.00 C ATOM 0 H ALA A 79 -0.590 -6.983 0.560 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.076 -7.304 3.436 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.086 -4.819 3.240 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.857 -5.527 1.907 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.799 -4.944 1.614 1.00 0.00 H new ATOM 1229 N ILE A 80 -3.085 -6.523 2.400 1.00 0.00 N ATOM 1230 CA ILE A 80 -4.482 -6.434 2.904 1.00 0.00 C ATOM 1231 C ILE A 80 -4.862 -7.758 3.554 1.00 0.00 C ATOM 1232 O ILE A 80 -5.418 -7.801 4.631 1.00 0.00 O ATOM 1233 CB ILE A 80 -5.351 -6.168 1.682 1.00 0.00 C ATOM 1234 CG1 ILE A 80 -5.933 -4.756 1.775 1.00 0.00 C ATOM 1235 CG2 ILE A 80 -6.493 -7.184 1.638 1.00 0.00 C ATOM 1236 CD1 ILE A 80 -6.484 -4.528 3.183 1.00 0.00 C ATOM 0 H ILE A 80 -2.978 -6.438 1.389 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.606 -5.648 3.649 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.748 -6.259 0.778 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.164 -4.018 1.549 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -6.725 -4.627 1.037 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.115 -6.994 0.764 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.081 -8.192 1.579 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.097 -7.091 2.540 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.899 -3.523 3.253 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.266 -5.259 3.391 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.680 -4.640 3.911 1.00 0.00 H new ATOM 1248 N ASN A 81 -4.562 -8.847 2.901 1.00 0.00 N ATOM 1249 CA ASN A 81 -4.894 -10.177 3.481 1.00 0.00 C ATOM 1250 C ASN A 81 -3.990 -10.428 4.675 1.00 0.00 C ATOM 1251 O ASN A 81 -4.409 -11.000 5.680 1.00 0.00 O ATOM 1252 CB ASN A 81 -4.644 -11.187 2.377 1.00 0.00 C ATOM 1253 CG ASN A 81 -3.874 -12.380 2.949 1.00 0.00 C ATOM 1254 OD1 ASN A 81 -2.751 -12.239 3.390 1.00 0.00 O ATOM 1255 ND2 ASN A 81 -4.435 -13.559 2.959 1.00 0.00 N ATOM 0 H ASN A 81 -4.101 -8.872 1.991 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.925 -10.243 3.828 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.591 -11.520 1.952 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.076 -10.726 1.569 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.930 -14.361 3.337 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -5.378 -13.678 2.589 1.00 0.00 H new ATOM 1262 N ASP A 82 -2.754 -9.938 4.624 1.00 0.00 N ATOM 1263 CA ASP A 82 -1.922 -10.228 5.813 1.00 0.00 C ATOM 1264 C ASP A 82 -2.160 -9.121 6.819 1.00 0.00 C ATOM 1265 O ASP A 82 -1.961 -9.301 8.015 1.00 0.00 O ATOM 1266 CB ASP A 82 -0.464 -9.929 5.248 1.00 0.00 C ATOM 1267 CG ASP A 82 0.579 -10.188 6.341 1.00 0.00 C ATOM 1268 OD1 ASP A 82 0.613 -9.429 7.296 1.00 0.00 O ATOM 1269 OD2 ASP A 82 1.315 -11.151 6.208 1.00 0.00 O ATOM 0 H ASP A 82 -2.331 -9.397 3.870 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.095 -11.212 6.249 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.262 -10.561 4.383 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.400 -8.895 4.909 1.00 0.00 H new ATOM 1274 N GLU A 83 -2.890 -8.109 6.419 1.00 0.00 N ATOM 1275 CA GLU A 83 -3.347 -7.068 7.367 1.00 0.00 C ATOM 1276 C GLU A 83 -4.573 -7.560 8.110 1.00 0.00 C ATOM 1277 O GLU A 83 -4.573 -7.692 9.319 1.00 0.00 O ATOM 1278 CB GLU A 83 -3.710 -5.878 6.461 1.00 0.00 C ATOM 1279 CG GLU A 83 -5.017 -5.240 6.948 1.00 0.00 C ATOM 1280 CD GLU A 83 -4.974 -5.058 8.467 1.00 0.00 C ATOM 1281 OE1 GLU A 83 -4.031 -5.535 9.076 1.00 0.00 O ATOM 1282 OE2 GLU A 83 -5.892 -4.451 8.997 1.00 0.00 O ATOM 0 H GLU A 83 -3.190 -7.966 5.455 1.00 0.00 H new ATOM 0 HA GLU A 83 -2.600 -6.809 8.117 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.907 -5.141 6.473 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.819 -6.213 5.430 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -5.164 -4.276 6.462 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -5.864 -5.869 6.672 1.00 0.00 H new ATOM 1289 N MET A 84 -5.618 -7.844 7.392 1.00 0.00 N ATOM 1290 CA MET A 84 -6.865 -8.354 8.029 1.00 0.00 C ATOM 1291 C MET A 84 -6.668 -9.792 8.518 1.00 0.00 C ATOM 1292 O MET A 84 -7.479 -10.329 9.246 1.00 0.00 O ATOM 1293 CB MET A 84 -7.931 -8.287 6.939 1.00 0.00 C ATOM 1294 CG MET A 84 -7.720 -9.433 5.948 1.00 0.00 C ATOM 1295 SD MET A 84 -9.189 -9.602 4.901 1.00 0.00 S ATOM 1296 CE MET A 84 -8.431 -10.601 3.596 1.00 0.00 C ATOM 0 H MET A 84 -5.665 -7.744 6.378 1.00 0.00 H new ATOM 0 HA MET A 84 -7.148 -7.767 8.903 1.00 0.00 H new ATOM 0 HB2 MET A 84 -8.924 -8.354 7.382 1.00 0.00 H new ATOM 0 HB3 MET A 84 -7.877 -7.329 6.421 1.00 0.00 H new ATOM 0 HG2 MET A 84 -6.842 -9.239 5.332 1.00 0.00 H new ATOM 0 HG3 MET A 84 -7.534 -10.363 6.485 1.00 0.00 H new ATOM 0 HE1 MET A 84 -9.211 -11.031 2.968 1.00 0.00 H new ATOM 0 HE2 MET A 84 -7.781 -9.972 2.988 1.00 0.00 H new ATOM 0 HE3 MET A 84 -7.844 -11.402 4.045 1.00 0.00 H new ATOM 1306 N GLU A 85 -5.601 -10.424 8.109 1.00 0.00 N ATOM 1307 CA GLU A 85 -5.360 -11.832 8.537 1.00 0.00 C ATOM 1308 C GLU A 85 -4.126 -12.396 7.827 1.00 0.00 C ATOM 1309 O GLU A 85 -3.040 -12.252 8.364 1.00 0.00 O ATOM 1310 CB GLU A 85 -6.616 -12.597 8.118 1.00 0.00 C ATOM 1311 CG GLU A 85 -6.256 -14.058 7.843 1.00 0.00 C ATOM 1312 CD GLU A 85 -7.408 -14.961 8.289 1.00 0.00 C ATOM 1313 OE1 GLU A 85 -8.531 -14.691 7.898 1.00 0.00 O ATOM 1314 OE2 GLU A 85 -7.146 -15.907 9.013 1.00 0.00 O ATOM 1315 OXT GLU A 85 -4.288 -12.962 6.759 1.00 0.00 O ATOM 0 H GLU A 85 -4.887 -10.027 7.498 1.00 0.00 H new ATOM 0 HA GLU A 85 -5.175 -11.911 9.608 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -7.369 -12.539 8.904 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -7.050 -12.144 7.226 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -6.058 -14.201 6.781 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -5.343 -14.325 8.376 1.00 0.00 H new