USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 829 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 16 ASN : amide:sc= 0.911 K(o=2,f=-5.3) USER MOD Set 1.2: A 17 LYS NZ :NH3+ -130:sc= 1.05 (180deg=-0.139) USER MOD Single : A 1 MET CE :methyl 167:sc= -0.0861 (180deg=-0.349) USER MOD Single : A 1 MET N :NH3+ 135:sc= 0.0247 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.121 USER MOD Single : A 9 LYS NZ :NH3+ 143:sc= -1.31 (180deg=-2.86!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 148:sc= 0.772 (180deg=0.265) USER MOD Single : A 34 GLN : amide:sc= 0.051 K(o=0.051,f=-1.6) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.127 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 154:sc= 0.598 (180deg=0.168) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00468) USER MOD Single : A 84 LYS NZ :NH3+ -179:sc= 0.339 (180deg=0.325) USER MOD Single : A 88 ASN : amide:sc= -1.69! K(o=-1.7!,f=-0.26) USER MOD Single : A 90 THR OG1 : rot 69:sc= 0.389 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 81:sc= -0.983 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.175 -3.909 20.848 1.00 74.13 N ATOM 2 CA MET A 1 -4.992 -3.899 19.384 1.00 72.04 C ATOM 3 C MET A 1 -3.783 -4.741 18.964 1.00 73.42 C ATOM 4 O MET A 1 -2.810 -4.887 19.721 1.00 31.24 O ATOM 5 CB MET A 1 -4.866 -2.445 18.842 1.00 54.43 C ATOM 6 CG MET A 1 -3.721 -1.612 19.445 1.00 44.03 C ATOM 7 SD MET A 1 -3.551 0.023 18.688 1.00 1.22 S ATOM 8 CE MET A 1 -5.156 0.761 18.996 1.00 63.31 C ATOM 0 H1 MET A 1 -5.364 -2.942 21.181 1.00 74.13 H new ATOM 0 H2 MET A 1 -5.978 -4.523 21.093 1.00 74.13 H new ATOM 0 H3 MET A 1 -4.312 -4.269 21.303 1.00 74.13 H new ATOM 0 HA MET A 1 -5.881 -4.349 18.943 1.00 72.04 H new ATOM 0 HB2 MET A 1 -4.731 -2.489 17.761 1.00 54.43 H new ATOM 0 HB3 MET A 1 -5.806 -1.925 19.025 1.00 54.43 H new ATOM 0 HG2 MET A 1 -3.891 -1.494 20.515 1.00 44.03 H new ATOM 0 HG3 MET A 1 -2.784 -2.157 19.330 1.00 44.03 H new ATOM 0 HE1 MET A 1 -5.110 1.831 18.792 1.00 63.31 H new ATOM 0 HE2 MET A 1 -5.899 0.300 18.346 1.00 63.31 H new ATOM 0 HE3 MET A 1 -5.436 0.602 20.037 1.00 63.31 H new ATOM 20 N LEU A 2 -3.872 -5.292 17.747 1.00 1.44 N ATOM 21 CA LEU A 2 -2.805 -6.082 17.116 1.00 34.24 C ATOM 22 C LEU A 2 -2.185 -5.284 15.956 1.00 1.53 C ATOM 23 O LEU A 2 -2.802 -4.340 15.440 1.00 62.31 O ATOM 24 CB LEU A 2 -3.373 -7.466 16.658 1.00 32.31 C ATOM 25 CG LEU A 2 -4.686 -7.457 15.787 1.00 11.10 C ATOM 26 CD1 LEU A 2 -4.423 -7.092 14.306 1.00 3.51 C ATOM 27 CD2 LEU A 2 -5.447 -8.796 15.893 1.00 11.23 C ATOM 0 H LEU A 2 -4.702 -5.200 17.162 1.00 1.44 H new ATOM 0 HA LEU A 2 -2.009 -6.281 17.833 1.00 34.24 H new ATOM 0 HB2 LEU A 2 -2.596 -7.978 16.091 1.00 32.31 H new ATOM 0 HB3 LEU A 2 -3.564 -8.064 17.549 1.00 32.31 H new ATOM 0 HG LEU A 2 -5.316 -6.670 16.201 1.00 11.10 H new ATOM 0 HD11 LEU A 2 -5.364 -7.102 13.756 1.00 3.51 H new ATOM 0 HD12 LEU A 2 -3.980 -6.098 14.249 1.00 3.51 H new ATOM 0 HD13 LEU A 2 -3.739 -7.819 13.868 1.00 3.51 H new ATOM 0 HD21 LEU A 2 -6.347 -8.753 15.279 1.00 11.23 H new ATOM 0 HD22 LEU A 2 -4.808 -9.607 15.543 1.00 11.23 H new ATOM 0 HD23 LEU A 2 -5.725 -8.976 16.932 1.00 11.23 H new ATOM 39 N THR A 3 -0.959 -5.642 15.570 1.00 61.53 N ATOM 40 CA THR A 3 -0.266 -5.010 14.449 1.00 74.21 C ATOM 41 C THR A 3 0.076 -6.070 13.389 1.00 53.34 C ATOM 42 O THR A 3 0.783 -7.047 13.674 1.00 2.50 O ATOM 43 CB THR A 3 1.030 -4.283 14.925 1.00 71.52 C ATOM 44 OG1 THR A 3 0.719 -3.385 16.008 1.00 34.32 O ATOM 45 CG2 THR A 3 1.687 -3.487 13.791 1.00 13.35 C ATOM 0 H THR A 3 -0.420 -6.378 16.026 1.00 61.53 H new ATOM 0 HA THR A 3 -0.927 -4.261 14.012 1.00 74.21 H new ATOM 0 HB THR A 3 1.730 -5.050 15.257 1.00 71.52 H new ATOM 0 HG1 THR A 3 1.537 -2.933 16.303 1.00 34.32 H new ATOM 0 HG21 THR A 3 2.586 -2.996 14.164 1.00 13.35 H new ATOM 0 HG22 THR A 3 1.954 -4.163 12.979 1.00 13.35 H new ATOM 0 HG23 THR A 3 0.989 -2.735 13.423 1.00 13.35 H new ATOM 53 N VAL A 4 -0.455 -5.875 12.177 1.00 40.03 N ATOM 54 CA VAL A 4 -0.158 -6.714 11.018 1.00 42.14 C ATOM 55 C VAL A 4 0.901 -6.004 10.151 1.00 53.31 C ATOM 56 O VAL A 4 0.677 -4.909 9.616 1.00 34.13 O ATOM 57 CB VAL A 4 -1.460 -7.049 10.186 1.00 72.55 C ATOM 58 CG1 VAL A 4 -2.215 -5.782 9.743 1.00 5.52 C ATOM 59 CG2 VAL A 4 -1.136 -7.951 8.971 1.00 33.34 C ATOM 0 H VAL A 4 -1.111 -5.120 11.974 1.00 40.03 H new ATOM 0 HA VAL A 4 0.237 -7.670 11.361 1.00 42.14 H new ATOM 0 HB VAL A 4 -2.122 -7.600 10.853 1.00 72.55 H new ATOM 0 HG11 VAL A 4 -3.101 -6.066 9.175 1.00 5.52 H new ATOM 0 HG12 VAL A 4 -2.515 -5.211 10.622 1.00 5.52 H new ATOM 0 HG13 VAL A 4 -1.564 -5.171 9.118 1.00 5.52 H new ATOM 0 HG21 VAL A 4 -2.053 -8.163 8.420 1.00 33.34 H new ATOM 0 HG22 VAL A 4 -0.429 -7.440 8.317 1.00 33.34 H new ATOM 0 HG23 VAL A 4 -0.698 -8.886 9.319 1.00 33.34 H new ATOM 69 N GLU A 5 2.084 -6.609 10.076 1.00 55.40 N ATOM 70 CA GLU A 5 3.199 -6.103 9.266 1.00 23.45 C ATOM 71 C GLU A 5 3.325 -6.959 8.005 1.00 63.12 C ATOM 72 O GLU A 5 3.185 -8.184 8.065 1.00 74.32 O ATOM 73 CB GLU A 5 4.508 -6.102 10.091 1.00 12.33 C ATOM 74 CG GLU A 5 4.439 -5.233 11.367 1.00 52.02 C ATOM 75 CD GLU A 5 5.795 -5.049 12.062 1.00 74.23 C ATOM 76 OE1 GLU A 5 6.226 -5.963 12.797 1.00 12.00 O ATOM 77 OE2 GLU A 5 6.445 -3.997 11.866 1.00 40.03 O ATOM 0 H GLU A 5 2.301 -7.470 10.577 1.00 55.40 H new ATOM 0 HA GLU A 5 3.006 -5.072 8.969 1.00 23.45 H new ATOM 0 HB2 GLU A 5 4.750 -7.127 10.373 1.00 12.33 H new ATOM 0 HB3 GLU A 5 5.323 -5.744 9.462 1.00 12.33 H new ATOM 0 HG2 GLU A 5 4.038 -4.253 11.107 1.00 52.02 H new ATOM 0 HG3 GLU A 5 3.740 -5.688 12.069 1.00 52.02 H new ATOM 84 N VAL A 6 3.558 -6.301 6.865 1.00 61.25 N ATOM 85 CA VAL A 6 3.624 -6.953 5.551 1.00 73.14 C ATOM 86 C VAL A 6 4.576 -6.174 4.616 1.00 34.32 C ATOM 87 O VAL A 6 4.671 -4.945 4.685 1.00 2.40 O ATOM 88 CB VAL A 6 2.175 -7.086 4.929 1.00 63.34 C ATOM 89 CG1 VAL A 6 1.502 -5.713 4.693 1.00 31.24 C ATOM 90 CG2 VAL A 6 2.181 -7.941 3.648 1.00 45.00 C ATOM 0 H VAL A 6 3.707 -5.293 6.827 1.00 61.25 H new ATOM 0 HA VAL A 6 4.025 -7.959 5.671 1.00 73.14 H new ATOM 0 HB VAL A 6 1.568 -7.607 5.669 1.00 63.34 H new ATOM 0 HG11 VAL A 6 0.511 -5.862 4.265 1.00 31.24 H new ATOM 0 HG12 VAL A 6 1.412 -5.184 5.642 1.00 31.24 H new ATOM 0 HG13 VAL A 6 2.109 -5.124 4.005 1.00 31.24 H new ATOM 0 HG21 VAL A 6 1.168 -8.009 3.251 1.00 45.00 H new ATOM 0 HG22 VAL A 6 2.832 -7.479 2.905 1.00 45.00 H new ATOM 0 HG23 VAL A 6 2.548 -8.941 3.880 1.00 45.00 H new ATOM 100 N GLU A 7 5.297 -6.907 3.767 1.00 0.34 N ATOM 101 CA GLU A 7 6.218 -6.344 2.773 1.00 75.24 C ATOM 102 C GLU A 7 5.643 -6.637 1.378 1.00 21.13 C ATOM 103 O GLU A 7 5.550 -7.800 0.970 1.00 41.10 O ATOM 104 CB GLU A 7 7.632 -6.961 2.986 1.00 42.41 C ATOM 105 CG GLU A 7 8.772 -6.384 2.101 1.00 15.15 C ATOM 106 CD GLU A 7 8.923 -7.051 0.722 1.00 3.41 C ATOM 107 OE1 GLU A 7 9.452 -8.182 0.655 1.00 1.34 O ATOM 108 OE2 GLU A 7 8.531 -6.455 -0.293 1.00 1.24 O ATOM 0 H GLU A 7 5.258 -7.926 3.749 1.00 0.34 H new ATOM 0 HA GLU A 7 6.322 -5.264 2.877 1.00 75.24 H new ATOM 0 HB2 GLU A 7 7.910 -6.829 4.032 1.00 42.41 H new ATOM 0 HB3 GLU A 7 7.568 -8.034 2.806 1.00 42.41 H new ATOM 0 HG2 GLU A 7 8.595 -5.318 1.955 1.00 15.15 H new ATOM 0 HG3 GLU A 7 9.715 -6.480 2.640 1.00 15.15 H new ATOM 115 N VAL A 8 5.224 -5.576 0.680 1.00 72.12 N ATOM 116 CA VAL A 8 4.629 -5.659 -0.665 1.00 61.00 C ATOM 117 C VAL A 8 5.650 -5.106 -1.683 1.00 14.05 C ATOM 118 O VAL A 8 5.852 -3.892 -1.768 1.00 23.44 O ATOM 119 CB VAL A 8 3.284 -4.818 -0.746 1.00 34.11 C ATOM 120 CG1 VAL A 8 2.570 -5.003 -2.106 1.00 1.40 C ATOM 121 CG2 VAL A 8 2.333 -5.142 0.437 1.00 41.21 C ATOM 0 H VAL A 8 5.288 -4.622 1.035 1.00 72.12 H new ATOM 0 HA VAL A 8 4.389 -6.698 -0.888 1.00 61.00 H new ATOM 0 HB VAL A 8 3.563 -3.767 -0.665 1.00 34.11 H new ATOM 0 HG11 VAL A 8 1.655 -4.411 -2.120 1.00 1.40 H new ATOM 0 HG12 VAL A 8 3.228 -4.673 -2.910 1.00 1.40 H new ATOM 0 HG13 VAL A 8 2.324 -6.055 -2.247 1.00 1.40 H new ATOM 0 HG21 VAL A 8 1.424 -4.547 0.347 1.00 41.21 H new ATOM 0 HG22 VAL A 8 2.077 -6.201 0.418 1.00 41.21 H new ATOM 0 HG23 VAL A 8 2.829 -4.905 1.378 1.00 41.21 H new ATOM 131 N LYS A 9 6.286 -5.996 -2.450 1.00 74.22 N ATOM 132 CA LYS A 9 7.278 -5.609 -3.465 1.00 24.22 C ATOM 133 C LYS A 9 6.588 -5.434 -4.821 1.00 15.31 C ATOM 134 O LYS A 9 6.132 -6.405 -5.430 1.00 71.24 O ATOM 135 CB LYS A 9 8.409 -6.661 -3.546 1.00 55.43 C ATOM 136 CG LYS A 9 9.597 -6.241 -4.445 1.00 61.22 C ATOM 137 CD LYS A 9 10.841 -7.155 -4.321 1.00 13.52 C ATOM 138 CE LYS A 9 11.601 -7.005 -2.986 1.00 62.32 C ATOM 139 NZ LYS A 9 10.882 -7.594 -1.820 1.00 54.35 N ATOM 0 H LYS A 9 6.131 -7.002 -2.388 1.00 74.22 H new ATOM 0 HA LYS A 9 7.729 -4.658 -3.181 1.00 24.22 H new ATOM 0 HB2 LYS A 9 8.780 -6.859 -2.540 1.00 55.43 H new ATOM 0 HB3 LYS A 9 7.995 -7.596 -3.922 1.00 55.43 H new ATOM 0 HG2 LYS A 9 9.267 -6.234 -5.484 1.00 61.22 H new ATOM 0 HG3 LYS A 9 9.884 -5.220 -4.195 1.00 61.22 H new ATOM 0 HD2 LYS A 9 10.529 -8.193 -4.435 1.00 13.52 H new ATOM 0 HD3 LYS A 9 11.523 -6.936 -5.142 1.00 13.52 H new ATOM 0 HE2 LYS A 9 12.577 -7.481 -3.078 1.00 62.32 H new ATOM 0 HE3 LYS A 9 11.779 -5.947 -2.796 1.00 62.32 H new ATOM 0 HZ1 LYS A 9 11.569 -8.029 -1.172 1.00 54.35 H new ATOM 0 HZ2 LYS A 9 10.360 -6.846 -1.320 1.00 54.35 H new ATOM 0 HZ3 LYS A 9 10.214 -8.318 -2.154 1.00 54.35 H new ATOM 153 N ILE A 10 6.528 -4.188 -5.289 1.00 22.11 N ATOM 154 CA ILE A 10 5.811 -3.820 -6.506 1.00 73.34 C ATOM 155 C ILE A 10 6.807 -3.722 -7.675 1.00 5.23 C ATOM 156 O ILE A 10 7.653 -2.813 -7.710 1.00 23.24 O ATOM 157 CB ILE A 10 5.063 -2.451 -6.326 1.00 15.13 C ATOM 158 CG1 ILE A 10 4.238 -2.441 -4.997 1.00 72.41 C ATOM 159 CG2 ILE A 10 4.159 -2.169 -7.552 1.00 5.30 C ATOM 160 CD1 ILE A 10 3.620 -1.100 -4.638 1.00 33.02 C ATOM 0 H ILE A 10 6.981 -3.399 -4.828 1.00 22.11 H new ATOM 0 HA ILE A 10 5.067 -4.588 -6.718 1.00 73.34 H new ATOM 0 HB ILE A 10 5.803 -1.654 -6.260 1.00 15.13 H new ATOM 0 HG12 ILE A 10 3.443 -3.182 -5.075 1.00 72.41 H new ATOM 0 HG13 ILE A 10 4.888 -2.755 -4.180 1.00 72.41 H new ATOM 0 HG21 ILE A 10 3.646 -1.217 -7.415 1.00 5.30 H new ATOM 0 HG22 ILE A 10 4.771 -2.125 -8.453 1.00 5.30 H new ATOM 0 HG23 ILE A 10 3.423 -2.967 -7.652 1.00 5.30 H new ATOM 0 HD11 ILE A 10 3.068 -1.192 -3.702 1.00 33.02 H new ATOM 0 HD12 ILE A 10 4.408 -0.355 -4.523 1.00 33.02 H new ATOM 0 HD13 ILE A 10 2.940 -0.789 -5.431 1.00 33.02 H new ATOM 172 N THR A 11 6.729 -4.685 -8.600 1.00 52.45 N ATOM 173 CA THR A 11 7.502 -4.660 -9.841 1.00 54.43 C ATOM 174 C THR A 11 6.674 -3.951 -10.936 1.00 44.44 C ATOM 175 O THR A 11 5.516 -4.295 -11.185 1.00 12.03 O ATOM 176 CB THR A 11 7.945 -6.099 -10.284 1.00 50.14 C ATOM 177 OG1 THR A 11 8.700 -6.030 -11.507 1.00 13.54 O ATOM 178 CG2 THR A 11 6.774 -7.081 -10.461 1.00 31.15 C ATOM 0 H THR A 11 6.127 -5.503 -8.507 1.00 52.45 H new ATOM 0 HA THR A 11 8.423 -4.101 -9.674 1.00 54.43 H new ATOM 0 HB THR A 11 8.561 -6.487 -9.473 1.00 50.14 H new ATOM 0 HG1 THR A 11 8.973 -6.932 -11.774 1.00 13.54 H new ATOM 0 HG21 THR A 11 7.158 -8.054 -10.768 1.00 31.15 H new ATOM 0 HG22 THR A 11 6.239 -7.183 -9.517 1.00 31.15 H new ATOM 0 HG23 THR A 11 6.094 -6.702 -11.224 1.00 31.15 H new ATOM 186 N ALA A 12 7.266 -2.915 -11.527 1.00 64.15 N ATOM 187 CA ALA A 12 6.662 -2.124 -12.611 1.00 74.45 C ATOM 188 C ALA A 12 7.728 -1.846 -13.675 1.00 21.32 C ATOM 189 O ALA A 12 8.913 -2.116 -13.444 1.00 21.44 O ATOM 190 CB ALA A 12 6.077 -0.823 -12.038 1.00 44.44 C ATOM 0 H ALA A 12 8.197 -2.591 -11.265 1.00 64.15 H new ATOM 0 HA ALA A 12 5.846 -2.675 -13.077 1.00 74.45 H new ATOM 0 HB1 ALA A 12 5.630 -0.239 -12.843 1.00 44.44 H new ATOM 0 HB2 ALA A 12 5.314 -1.062 -11.297 1.00 44.44 H new ATOM 0 HB3 ALA A 12 6.871 -0.243 -11.567 1.00 44.44 H new ATOM 196 N ASP A 13 7.312 -1.296 -14.827 1.00 14.31 N ATOM 197 CA ASP A 13 8.232 -1.009 -15.948 1.00 5.34 C ATOM 198 C ASP A 13 9.163 0.157 -15.576 1.00 1.22 C ATOM 199 O ASP A 13 10.376 0.099 -15.809 1.00 70.53 O ATOM 200 CB ASP A 13 7.439 -0.680 -17.241 1.00 3.04 C ATOM 201 CG ASP A 13 8.351 -0.363 -18.450 1.00 63.12 C ATOM 202 OD1 ASP A 13 8.923 -1.308 -19.043 1.00 11.21 O ATOM 203 OD2 ASP A 13 8.490 0.825 -18.825 1.00 72.42 O ATOM 0 H ASP A 13 6.342 -1.039 -15.010 1.00 14.31 H new ATOM 0 HA ASP A 13 8.836 -1.896 -16.139 1.00 5.34 H new ATOM 0 HB2 ASP A 13 6.796 -1.524 -17.490 1.00 3.04 H new ATOM 0 HB3 ASP A 13 6.787 0.173 -17.053 1.00 3.04 H new ATOM 208 N ASP A 14 8.572 1.197 -14.971 1.00 33.21 N ATOM 209 CA ASP A 14 9.280 2.419 -14.556 1.00 50.14 C ATOM 210 C ASP A 14 9.142 2.574 -13.029 1.00 31.20 C ATOM 211 O ASP A 14 8.114 3.046 -12.544 1.00 21.42 O ATOM 212 CB ASP A 14 8.684 3.650 -15.298 1.00 41.23 C ATOM 213 CG ASP A 14 9.608 4.884 -15.309 1.00 21.22 C ATOM 214 OD1 ASP A 14 9.841 5.490 -14.241 1.00 5.42 O ATOM 215 OD2 ASP A 14 10.088 5.272 -16.400 1.00 34.15 O ATOM 0 H ASP A 14 7.576 1.215 -14.753 1.00 33.21 H new ATOM 0 HA ASP A 14 10.337 2.351 -14.813 1.00 50.14 H new ATOM 0 HB2 ASP A 14 8.460 3.368 -16.327 1.00 41.23 H new ATOM 0 HB3 ASP A 14 7.738 3.921 -14.829 1.00 41.23 H new ATOM 220 N GLU A 15 10.175 2.130 -12.289 1.00 24.31 N ATOM 221 CA GLU A 15 10.199 2.147 -10.803 1.00 52.40 C ATOM 222 C GLU A 15 10.251 3.578 -10.216 1.00 3.23 C ATOM 223 O GLU A 15 9.766 3.807 -9.098 1.00 24.50 O ATOM 224 CB GLU A 15 11.385 1.291 -10.254 1.00 43.43 C ATOM 225 CG GLU A 15 12.807 1.868 -10.472 1.00 62.41 C ATOM 226 CD GLU A 15 13.165 2.117 -11.950 1.00 74.33 C ATOM 227 OE1 GLU A 15 13.222 1.136 -12.722 1.00 13.23 O ATOM 228 OE2 GLU A 15 13.329 3.291 -12.358 1.00 21.54 O ATOM 0 H GLU A 15 11.025 1.746 -12.702 1.00 24.31 H new ATOM 0 HA GLU A 15 9.258 1.704 -10.477 1.00 52.40 H new ATOM 0 HB2 GLU A 15 11.235 1.145 -9.184 1.00 43.43 H new ATOM 0 HB3 GLU A 15 11.340 0.306 -10.719 1.00 43.43 H new ATOM 0 HG2 GLU A 15 12.894 2.807 -9.925 1.00 62.41 H new ATOM 0 HG3 GLU A 15 13.536 1.180 -10.044 1.00 62.41 H new ATOM 235 N ASN A 16 10.861 4.522 -10.973 1.00 60.43 N ATOM 236 CA ASN A 16 10.925 5.959 -10.613 1.00 23.24 C ATOM 237 C ASN A 16 9.508 6.534 -10.442 1.00 73.32 C ATOM 238 O ASN A 16 9.184 7.129 -9.405 1.00 3.33 O ATOM 239 CB ASN A 16 11.712 6.738 -11.707 1.00 1.15 C ATOM 240 CG ASN A 16 11.575 8.268 -11.624 1.00 61.14 C ATOM 241 OD1 ASN A 16 10.692 8.859 -12.249 1.00 33.40 O ATOM 242 ND2 ASN A 16 12.431 8.916 -10.857 1.00 51.33 N ATOM 0 H ASN A 16 11.325 4.306 -11.855 1.00 60.43 H new ATOM 0 HA ASN A 16 11.447 6.067 -9.662 1.00 23.24 H new ATOM 0 HB2 ASN A 16 12.767 6.476 -11.633 1.00 1.15 H new ATOM 0 HB3 ASN A 16 11.369 6.408 -12.688 1.00 1.15 H new ATOM 0 HD21 ASN A 16 12.372 9.931 -10.770 1.00 51.33 H new ATOM 0 HD22 ASN A 16 13.152 8.402 -10.351 1.00 51.33 H new ATOM 249 N LYS A 17 8.682 6.348 -11.483 1.00 11.33 N ATOM 250 CA LYS A 17 7.278 6.762 -11.465 1.00 41.13 C ATOM 251 C LYS A 17 6.477 5.911 -10.472 1.00 51.31 C ATOM 252 O LYS A 17 5.719 6.464 -9.684 1.00 14.13 O ATOM 253 CB LYS A 17 6.667 6.675 -12.889 1.00 20.55 C ATOM 254 CG LYS A 17 7.260 7.694 -13.887 1.00 3.42 C ATOM 255 CD LYS A 17 6.955 9.161 -13.491 1.00 63.24 C ATOM 256 CE LYS A 17 7.700 10.184 -14.362 1.00 1.32 C ATOM 257 NZ LYS A 17 9.171 10.108 -14.170 1.00 75.13 N ATOM 0 H LYS A 17 8.971 5.908 -12.356 1.00 11.33 H new ATOM 0 HA LYS A 17 7.228 7.800 -11.137 1.00 41.13 H new ATOM 0 HB2 LYS A 17 6.820 5.668 -13.279 1.00 20.55 H new ATOM 0 HB3 LYS A 17 5.590 6.831 -12.822 1.00 20.55 H new ATOM 0 HG2 LYS A 17 8.339 7.554 -13.946 1.00 3.42 H new ATOM 0 HG3 LYS A 17 6.859 7.499 -14.882 1.00 3.42 H new ATOM 0 HD2 LYS A 17 5.882 9.337 -13.570 1.00 63.24 H new ATOM 0 HD3 LYS A 17 7.227 9.314 -12.447 1.00 63.24 H new ATOM 0 HE2 LYS A 17 7.461 10.010 -15.411 1.00 1.32 H new ATOM 0 HE3 LYS A 17 7.354 11.188 -14.119 1.00 1.32 H new ATOM 0 HZ1 LYS A 17 9.547 11.061 -13.989 1.00 75.13 H new ATOM 0 HZ2 LYS A 17 9.384 9.492 -13.360 1.00 75.13 H new ATOM 0 HZ3 LYS A 17 9.613 9.718 -15.027 1.00 75.13 H new ATOM 271 N ALA A 18 6.724 4.578 -10.490 1.00 61.10 N ATOM 272 CA ALA A 18 5.982 3.582 -9.686 1.00 1.52 C ATOM 273 C ALA A 18 5.906 3.963 -8.202 1.00 25.11 C ATOM 274 O ALA A 18 4.811 4.059 -7.641 1.00 4.42 O ATOM 275 CB ALA A 18 6.606 2.185 -9.838 1.00 21.01 C ATOM 0 H ALA A 18 7.453 4.162 -11.070 1.00 61.10 H new ATOM 0 HA ALA A 18 4.963 3.567 -10.072 1.00 1.52 H new ATOM 0 HB1 ALA A 18 6.045 1.469 -9.238 1.00 21.01 H new ATOM 0 HB2 ALA A 18 6.575 1.885 -10.885 1.00 21.01 H new ATOM 0 HB3 ALA A 18 7.641 2.210 -9.498 1.00 21.01 H new ATOM 281 N GLU A 19 7.081 4.226 -7.598 1.00 20.33 N ATOM 282 CA GLU A 19 7.188 4.569 -6.177 1.00 70.31 C ATOM 283 C GLU A 19 6.500 5.904 -5.874 1.00 52.31 C ATOM 284 O GLU A 19 5.715 5.988 -4.935 1.00 3.41 O ATOM 285 CB GLU A 19 8.669 4.618 -5.736 1.00 64.12 C ATOM 286 CG GLU A 19 8.853 4.951 -4.244 1.00 0.23 C ATOM 287 CD GLU A 19 10.295 4.828 -3.759 1.00 21.41 C ATOM 288 OE1 GLU A 19 10.724 3.709 -3.400 1.00 25.13 O ATOM 289 OE2 GLU A 19 11.008 5.851 -3.730 1.00 62.52 O ATOM 0 H GLU A 19 7.977 4.205 -8.085 1.00 20.33 H new ATOM 0 HA GLU A 19 6.680 3.789 -5.610 1.00 70.31 H new ATOM 0 HB2 GLU A 19 9.135 3.655 -5.946 1.00 64.12 H new ATOM 0 HB3 GLU A 19 9.194 5.363 -6.334 1.00 64.12 H new ATOM 0 HG2 GLU A 19 8.504 5.967 -4.062 1.00 0.23 H new ATOM 0 HG3 GLU A 19 8.223 4.287 -3.653 1.00 0.23 H new ATOM 296 N GLU A 20 6.773 6.926 -6.706 1.00 74.03 N ATOM 297 CA GLU A 20 6.224 8.285 -6.517 1.00 34.45 C ATOM 298 C GLU A 20 4.682 8.305 -6.598 1.00 64.24 C ATOM 299 O GLU A 20 4.021 9.057 -5.850 1.00 24.31 O ATOM 300 CB GLU A 20 6.844 9.256 -7.545 1.00 22.44 C ATOM 301 CG GLU A 20 8.348 9.518 -7.329 1.00 3.34 C ATOM 302 CD GLU A 20 8.659 10.187 -5.976 1.00 32.32 C ATOM 303 OE1 GLU A 20 8.226 11.336 -5.767 1.00 30.53 O ATOM 304 OE2 GLU A 20 9.344 9.579 -5.126 1.00 62.44 O ATOM 0 H GLU A 20 7.376 6.836 -7.524 1.00 74.03 H new ATOM 0 HA GLU A 20 6.492 8.615 -5.513 1.00 34.45 H new ATOM 0 HB2 GLU A 20 6.696 8.852 -8.547 1.00 22.44 H new ATOM 0 HB3 GLU A 20 6.310 10.205 -7.502 1.00 22.44 H new ATOM 0 HG2 GLU A 20 8.888 8.573 -7.392 1.00 3.34 H new ATOM 0 HG3 GLU A 20 8.719 10.152 -8.134 1.00 3.34 H new ATOM 311 N ILE A 21 4.125 7.448 -7.484 1.00 51.13 N ATOM 312 CA ILE A 21 2.676 7.220 -7.578 1.00 31.23 C ATOM 313 C ILE A 21 2.182 6.662 -6.233 1.00 74.33 C ATOM 314 O ILE A 21 1.387 7.305 -5.565 1.00 43.12 O ATOM 315 CB ILE A 21 2.291 6.234 -8.763 1.00 11.13 C ATOM 316 CG1 ILE A 21 2.694 6.831 -10.151 1.00 42.33 C ATOM 317 CG2 ILE A 21 0.779 5.886 -8.745 1.00 23.12 C ATOM 318 CD1 ILE A 21 2.511 5.885 -11.332 1.00 62.43 C ATOM 0 H ILE A 21 4.670 6.900 -8.149 1.00 51.13 H new ATOM 0 HA ILE A 21 2.191 8.171 -7.799 1.00 31.23 H new ATOM 0 HB ILE A 21 2.853 5.313 -8.609 1.00 11.13 H new ATOM 0 HG12 ILE A 21 2.104 7.730 -10.329 1.00 42.33 H new ATOM 0 HG13 ILE A 21 3.739 7.139 -10.109 1.00 42.33 H new ATOM 0 HG21 ILE A 21 0.551 5.210 -9.569 1.00 23.12 H new ATOM 0 HG22 ILE A 21 0.528 5.404 -7.800 1.00 23.12 H new ATOM 0 HG23 ILE A 21 0.194 6.799 -8.853 1.00 23.12 H new ATOM 0 HD11 ILE A 21 2.816 6.386 -12.250 1.00 62.43 H new ATOM 0 HD12 ILE A 21 3.123 4.995 -11.184 1.00 62.43 H new ATOM 0 HD13 ILE A 21 1.463 5.596 -11.408 1.00 62.43 H new ATOM 330 N VAL A 22 2.786 5.528 -5.804 1.00 2.04 N ATOM 331 CA VAL A 22 2.373 4.781 -4.593 1.00 31.44 C ATOM 332 C VAL A 22 2.508 5.641 -3.311 1.00 54.34 C ATOM 333 O VAL A 22 1.719 5.492 -2.381 1.00 33.31 O ATOM 334 CB VAL A 22 3.185 3.435 -4.469 1.00 40.21 C ATOM 335 CG1 VAL A 22 2.872 2.664 -3.167 1.00 73.01 C ATOM 336 CG2 VAL A 22 2.911 2.533 -5.687 1.00 20.14 C ATOM 0 H VAL A 22 3.576 5.105 -6.290 1.00 2.04 H new ATOM 0 HA VAL A 22 1.317 4.534 -4.699 1.00 31.44 H new ATOM 0 HB VAL A 22 4.240 3.707 -4.437 1.00 40.21 H new ATOM 0 HG11 VAL A 22 3.460 1.747 -3.137 1.00 73.01 H new ATOM 0 HG12 VAL A 22 3.124 3.285 -2.307 1.00 73.01 H new ATOM 0 HG13 VAL A 22 1.811 2.416 -3.137 1.00 73.01 H new ATOM 0 HG21 VAL A 22 3.478 1.607 -5.589 1.00 20.14 H new ATOM 0 HG22 VAL A 22 1.847 2.303 -5.738 1.00 20.14 H new ATOM 0 HG23 VAL A 22 3.214 3.049 -6.598 1.00 20.14 H new ATOM 346 N LYS A 23 3.477 6.578 -3.301 1.00 14.14 N ATOM 347 CA LYS A 23 3.659 7.537 -2.191 1.00 12.51 C ATOM 348 C LYS A 23 2.446 8.477 -2.105 1.00 73.23 C ATOM 349 O LYS A 23 1.838 8.617 -1.026 1.00 44.15 O ATOM 350 CB LYS A 23 4.977 8.340 -2.363 1.00 20.42 C ATOM 351 CG LYS A 23 6.252 7.490 -2.167 1.00 4.22 C ATOM 352 CD LYS A 23 7.550 8.221 -2.582 1.00 53.30 C ATOM 353 CE LYS A 23 7.830 9.492 -1.767 1.00 10.12 C ATOM 354 NZ LYS A 23 9.049 10.197 -2.255 1.00 54.21 N ATOM 0 H LYS A 23 4.152 6.692 -4.057 1.00 14.14 H new ATOM 0 HA LYS A 23 3.733 6.981 -1.257 1.00 12.51 H new ATOM 0 HB2 LYS A 23 4.995 8.782 -3.359 1.00 20.42 H new ATOM 0 HB3 LYS A 23 4.986 9.163 -1.649 1.00 20.42 H new ATOM 0 HG2 LYS A 23 6.327 7.199 -1.119 1.00 4.22 H new ATOM 0 HG3 LYS A 23 6.160 6.572 -2.747 1.00 4.22 H new ATOM 0 HD2 LYS A 23 8.392 7.537 -2.473 1.00 53.30 H new ATOM 0 HD3 LYS A 23 7.487 8.484 -3.638 1.00 53.30 H new ATOM 0 HE2 LYS A 23 6.972 10.161 -1.829 1.00 10.12 H new ATOM 0 HE3 LYS A 23 7.956 9.231 -0.716 1.00 10.12 H new ATOM 0 HZ1 LYS A 23 8.936 11.222 -2.117 1.00 54.21 H new ATOM 0 HZ2 LYS A 23 9.878 9.865 -1.723 1.00 54.21 H new ATOM 0 HZ3 LYS A 23 9.184 9.997 -3.267 1.00 54.21 H new ATOM 368 N ARG A 24 2.069 9.086 -3.261 1.00 42.11 N ATOM 369 CA ARG A 24 0.843 9.912 -3.351 1.00 60.34 C ATOM 370 C ARG A 24 -0.398 9.073 -2.972 1.00 32.02 C ATOM 371 O ARG A 24 -1.272 9.546 -2.244 1.00 20.45 O ATOM 372 CB ARG A 24 0.632 10.505 -4.783 1.00 52.24 C ATOM 373 CG ARG A 24 -0.700 11.294 -4.930 1.00 64.13 C ATOM 374 CD ARG A 24 -1.132 11.595 -6.382 1.00 43.41 C ATOM 375 NE ARG A 24 -2.588 11.857 -6.421 1.00 4.10 N ATOM 376 CZ ARG A 24 -3.220 12.821 -7.112 1.00 30.03 C ATOM 377 NH1 ARG A 24 -2.557 13.688 -7.879 1.00 35.31 N ATOM 378 NH2 ARG A 24 -4.540 12.911 -7.013 1.00 63.42 N ATOM 0 H ARG A 24 2.593 9.019 -4.133 1.00 42.11 H new ATOM 0 HA ARG A 24 0.969 10.739 -2.652 1.00 60.34 H new ATOM 0 HB2 ARG A 24 1.466 11.165 -5.022 1.00 52.24 H new ATOM 0 HB3 ARG A 24 0.648 9.694 -5.511 1.00 52.24 H new ATOM 0 HG2 ARG A 24 -1.494 10.728 -4.442 1.00 64.13 H new ATOM 0 HG3 ARG A 24 -0.605 12.238 -4.394 1.00 64.13 H new ATOM 0 HD2 ARG A 24 -0.586 12.458 -6.763 1.00 43.41 H new ATOM 0 HD3 ARG A 24 -0.886 10.752 -7.028 1.00 43.41 H new ATOM 0 HE ARG A 24 -3.176 11.238 -5.862 1.00 4.10 H new ATOM 0 HH11 ARG A 24 -1.541 13.630 -7.953 1.00 35.31 H new ATOM 0 HH12 ARG A 24 -3.066 14.409 -8.391 1.00 35.31 H new ATOM 0 HH21 ARG A 24 -5.053 12.257 -6.422 1.00 63.42 H new ATOM 0 HH22 ARG A 24 -5.042 13.634 -7.528 1.00 63.42 H new ATOM 392 N VAL A 25 -0.428 7.812 -3.448 1.00 0.01 N ATOM 393 CA VAL A 25 -1.581 6.922 -3.291 1.00 32.31 C ATOM 394 C VAL A 25 -1.844 6.612 -1.815 1.00 63.03 C ATOM 395 O VAL A 25 -2.952 6.814 -1.357 1.00 64.22 O ATOM 396 CB VAL A 25 -1.408 5.588 -4.102 1.00 73.23 C ATOM 397 CG1 VAL A 25 -2.551 4.595 -3.812 1.00 53.22 C ATOM 398 CG2 VAL A 25 -1.330 5.876 -5.610 1.00 22.34 C ATOM 0 H VAL A 25 0.351 7.388 -3.952 1.00 0.01 H new ATOM 0 HA VAL A 25 -2.444 7.450 -3.696 1.00 32.31 H new ATOM 0 HB VAL A 25 -0.473 5.130 -3.779 1.00 73.23 H new ATOM 0 HG11 VAL A 25 -2.397 3.684 -4.391 1.00 53.22 H new ATOM 0 HG12 VAL A 25 -2.561 4.352 -2.749 1.00 53.22 H new ATOM 0 HG13 VAL A 25 -3.504 5.045 -4.091 1.00 53.22 H new ATOM 0 HG21 VAL A 25 -1.210 4.939 -6.154 1.00 22.34 H new ATOM 0 HG22 VAL A 25 -2.247 6.369 -5.934 1.00 22.34 H new ATOM 0 HG23 VAL A 25 -0.478 6.525 -5.813 1.00 22.34 H new ATOM 408 N ILE A 26 -0.807 6.168 -1.074 1.00 44.11 N ATOM 409 CA ILE A 26 -0.949 5.802 0.354 1.00 35.21 C ATOM 410 C ILE A 26 -1.265 7.051 1.194 1.00 34.22 C ATOM 411 O ILE A 26 -1.948 6.957 2.200 1.00 31.01 O ATOM 412 CB ILE A 26 0.330 5.083 0.918 1.00 1.01 C ATOM 413 CG1 ILE A 26 0.676 3.822 0.073 1.00 13.13 C ATOM 414 CG2 ILE A 26 0.152 4.696 2.418 1.00 13.01 C ATOM 415 CD1 ILE A 26 2.041 3.244 0.379 1.00 71.11 C ATOM 0 H ILE A 26 0.138 6.054 -1.440 1.00 44.11 H new ATOM 0 HA ILE A 26 -1.776 5.095 0.424 1.00 35.21 H new ATOM 0 HB ILE A 26 1.158 5.788 0.847 1.00 1.01 H new ATOM 0 HG12 ILE A 26 -0.081 3.058 0.249 1.00 13.13 H new ATOM 0 HG13 ILE A 26 0.628 4.080 -0.985 1.00 13.13 H new ATOM 0 HG21 ILE A 26 1.055 4.201 2.776 1.00 13.01 H new ATOM 0 HG22 ILE A 26 -0.026 5.596 3.007 1.00 13.01 H new ATOM 0 HG23 ILE A 26 -0.697 4.021 2.521 1.00 13.01 H new ATOM 0 HD11 ILE A 26 2.214 2.368 -0.247 1.00 71.11 H new ATOM 0 HD12 ILE A 26 2.807 3.992 0.175 1.00 71.11 H new ATOM 0 HD13 ILE A 26 2.087 2.955 1.429 1.00 71.11 H new ATOM 427 N ASP A 27 -0.779 8.226 0.736 1.00 51.03 N ATOM 428 CA ASP A 27 -1.140 9.533 1.325 1.00 34.12 C ATOM 429 C ASP A 27 -2.670 9.760 1.234 1.00 23.30 C ATOM 430 O ASP A 27 -3.296 10.279 2.168 1.00 72.54 O ATOM 431 CB ASP A 27 -0.353 10.664 0.608 1.00 51.03 C ATOM 432 CG ASP A 27 -0.651 12.065 1.157 1.00 51.35 C ATOM 433 OD1 ASP A 27 -0.182 12.383 2.270 1.00 12.52 O ATOM 434 OD2 ASP A 27 -1.342 12.863 0.483 1.00 5.44 O ATOM 0 H ASP A 27 -0.130 8.294 -0.048 1.00 51.03 H new ATOM 0 HA ASP A 27 -0.868 9.544 2.381 1.00 34.12 H new ATOM 0 HB2 ASP A 27 0.715 10.467 0.700 1.00 51.03 H new ATOM 0 HB3 ASP A 27 -0.590 10.642 -0.456 1.00 51.03 H new ATOM 439 N GLU A 28 -3.256 9.302 0.109 1.00 40.35 N ATOM 440 CA GLU A 28 -4.706 9.344 -0.146 1.00 54.13 C ATOM 441 C GLU A 28 -5.443 8.217 0.624 1.00 12.41 C ATOM 442 O GLU A 28 -6.524 8.455 1.174 1.00 42.21 O ATOM 443 CB GLU A 28 -4.979 9.243 -1.677 1.00 14.21 C ATOM 444 CG GLU A 28 -4.340 10.381 -2.507 1.00 52.34 C ATOM 445 CD GLU A 28 -4.516 10.221 -4.025 1.00 63.43 C ATOM 446 OE1 GLU A 28 -3.776 9.422 -4.637 1.00 71.40 O ATOM 447 OE2 GLU A 28 -5.396 10.893 -4.619 1.00 15.53 O ATOM 0 H GLU A 28 -2.726 8.887 -0.657 1.00 40.35 H new ATOM 0 HA GLU A 28 -5.094 10.296 0.217 1.00 54.13 H new ATOM 0 HB2 GLU A 28 -4.602 8.287 -2.040 1.00 14.21 H new ATOM 0 HB3 GLU A 28 -6.056 9.246 -1.844 1.00 14.21 H new ATOM 0 HG2 GLU A 28 -4.777 11.331 -2.199 1.00 52.34 H new ATOM 0 HG3 GLU A 28 -3.275 10.430 -2.278 1.00 52.34 H new ATOM 454 N VAL A 29 -4.835 6.998 0.688 1.00 2.35 N ATOM 455 CA VAL A 29 -5.454 5.828 1.353 1.00 73.50 C ATOM 456 C VAL A 29 -5.524 6.059 2.865 1.00 65.22 C ATOM 457 O VAL A 29 -6.498 5.700 3.523 1.00 53.31 O ATOM 458 CB VAL A 29 -4.692 4.464 1.098 1.00 32.32 C ATOM 459 CG1 VAL A 29 -5.484 3.264 1.685 1.00 15.40 C ATOM 460 CG2 VAL A 29 -4.411 4.236 -0.393 1.00 72.31 C ATOM 0 H VAL A 29 -3.918 6.807 0.285 1.00 2.35 H new ATOM 0 HA VAL A 29 -6.447 5.736 0.914 1.00 73.50 H new ATOM 0 HB VAL A 29 -3.733 4.535 1.611 1.00 32.32 H new ATOM 0 HG11 VAL A 29 -4.938 2.340 1.496 1.00 15.40 H new ATOM 0 HG12 VAL A 29 -5.606 3.399 2.760 1.00 15.40 H new ATOM 0 HG13 VAL A 29 -6.465 3.209 1.212 1.00 15.40 H new ATOM 0 HG21 VAL A 29 -3.887 3.289 -0.524 1.00 72.31 H new ATOM 0 HG22 VAL A 29 -5.353 4.208 -0.941 1.00 72.31 H new ATOM 0 HG23 VAL A 29 -3.793 5.049 -0.775 1.00 72.31 H new ATOM 470 N GLU A 30 -4.490 6.712 3.385 1.00 3.00 N ATOM 471 CA GLU A 30 -4.309 6.900 4.822 1.00 52.20 C ATOM 472 C GLU A 30 -5.405 7.812 5.374 1.00 72.55 C ATOM 473 O GLU A 30 -6.133 7.425 6.288 1.00 32.55 O ATOM 474 CB GLU A 30 -2.893 7.446 5.102 1.00 44.41 C ATOM 475 CG GLU A 30 -2.450 7.410 6.577 1.00 73.13 C ATOM 476 CD GLU A 30 -0.953 7.702 6.736 1.00 13.33 C ATOM 477 OE1 GLU A 30 -0.138 6.852 6.325 1.00 52.44 O ATOM 478 OE2 GLU A 30 -0.588 8.786 7.231 1.00 12.33 O ATOM 0 H GLU A 30 -3.750 7.128 2.820 1.00 3.00 H new ATOM 0 HA GLU A 30 -4.398 5.943 5.336 1.00 52.20 H new ATOM 0 HB2 GLU A 30 -2.178 6.873 4.512 1.00 44.41 H new ATOM 0 HB3 GLU A 30 -2.843 8.477 4.751 1.00 44.41 H new ATOM 0 HG2 GLU A 30 -3.024 8.142 7.146 1.00 73.13 H new ATOM 0 HG3 GLU A 30 -2.675 6.430 6.999 1.00 73.13 H new ATOM 485 N ARG A 31 -5.593 8.963 4.708 1.00 45.32 N ATOM 486 CA ARG A 31 -6.560 9.986 5.133 1.00 75.05 C ATOM 487 C ARG A 31 -8.018 9.558 4.832 1.00 22.11 C ATOM 488 O ARG A 31 -8.951 10.061 5.470 1.00 2.52 O ATOM 489 CB ARG A 31 -6.226 11.349 4.465 1.00 74.52 C ATOM 490 CG ARG A 31 -6.329 11.368 2.922 1.00 62.23 C ATOM 491 CD ARG A 31 -5.868 12.705 2.302 1.00 12.15 C ATOM 492 NE ARG A 31 -6.697 13.858 2.735 1.00 70.42 N ATOM 493 CZ ARG A 31 -6.324 14.803 3.622 1.00 53.32 C ATOM 494 NH1 ARG A 31 -5.122 14.770 4.202 1.00 70.24 N ATOM 495 NH2 ARG A 31 -7.156 15.796 3.911 1.00 63.23 N ATOM 0 H ARG A 31 -5.080 9.209 3.862 1.00 45.32 H new ATOM 0 HA ARG A 31 -6.479 10.099 6.214 1.00 75.05 H new ATOM 0 HB2 ARG A 31 -6.898 12.107 4.868 1.00 74.52 H new ATOM 0 HB3 ARG A 31 -5.214 11.637 4.749 1.00 74.52 H new ATOM 0 HG2 ARG A 31 -5.726 10.557 2.513 1.00 62.23 H new ATOM 0 HG3 ARG A 31 -7.361 11.175 2.630 1.00 62.23 H new ATOM 0 HD2 ARG A 31 -4.829 12.888 2.576 1.00 12.15 H new ATOM 0 HD3 ARG A 31 -5.902 12.627 1.215 1.00 12.15 H new ATOM 0 HE ARG A 31 -7.628 13.943 2.327 1.00 70.42 H new ATOM 0 HH11 ARG A 31 -4.467 14.021 3.977 1.00 70.24 H new ATOM 0 HH12 ARG A 31 -4.858 15.494 4.870 1.00 70.24 H new ATOM 0 HH21 ARG A 31 -8.071 15.841 3.463 1.00 63.23 H new ATOM 0 HH22 ARG A 31 -6.880 16.514 4.581 1.00 63.23 H new ATOM 509 N GLU A 32 -8.218 8.613 3.877 1.00 45.23 N ATOM 510 CA GLU A 32 -9.574 8.111 3.545 1.00 22.40 C ATOM 511 C GLU A 32 -9.986 6.983 4.512 1.00 63.44 C ATOM 512 O GLU A 32 -11.174 6.811 4.814 1.00 21.01 O ATOM 513 CB GLU A 32 -9.691 7.637 2.059 1.00 1.14 C ATOM 514 CG GLU A 32 -9.088 6.253 1.735 1.00 64.14 C ATOM 515 CD GLU A 32 -9.279 5.819 0.270 1.00 73.15 C ATOM 516 OE1 GLU A 32 -10.432 5.563 -0.126 1.00 61.34 O ATOM 517 OE2 GLU A 32 -8.288 5.741 -0.491 1.00 35.04 O ATOM 0 H GLU A 32 -7.468 8.189 3.331 1.00 45.23 H new ATOM 0 HA GLU A 32 -10.262 8.948 3.664 1.00 22.40 H new ATOM 0 HB2 GLU A 32 -10.746 7.623 1.786 1.00 1.14 H new ATOM 0 HB3 GLU A 32 -9.207 8.379 1.424 1.00 1.14 H new ATOM 0 HG2 GLU A 32 -8.022 6.269 1.963 1.00 64.14 H new ATOM 0 HG3 GLU A 32 -9.543 5.507 2.387 1.00 64.14 H new ATOM 524 N VAL A 33 -8.988 6.212 4.988 1.00 0.24 N ATOM 525 CA VAL A 33 -9.200 5.169 6.008 1.00 34.13 C ATOM 526 C VAL A 33 -9.424 5.814 7.385 1.00 42.40 C ATOM 527 O VAL A 33 -10.175 5.281 8.178 1.00 62.10 O ATOM 528 CB VAL A 33 -8.009 4.132 6.050 1.00 0.45 C ATOM 529 CG1 VAL A 33 -8.050 3.223 7.306 1.00 40.24 C ATOM 530 CG2 VAL A 33 -7.994 3.266 4.764 1.00 0.32 C ATOM 0 H VAL A 33 -8.020 6.295 4.678 1.00 0.24 H new ATOM 0 HA VAL A 33 -10.094 4.609 5.734 1.00 34.13 H new ATOM 0 HB VAL A 33 -7.089 4.715 6.105 1.00 0.45 H new ATOM 0 HG11 VAL A 33 -7.208 2.531 7.282 1.00 40.24 H new ATOM 0 HG12 VAL A 33 -7.987 3.839 8.203 1.00 40.24 H new ATOM 0 HG13 VAL A 33 -8.983 2.660 7.317 1.00 40.24 H new ATOM 0 HG21 VAL A 33 -7.167 2.558 4.812 1.00 0.32 H new ATOM 0 HG22 VAL A 33 -8.934 2.721 4.682 1.00 0.32 H new ATOM 0 HG23 VAL A 33 -7.871 3.910 3.893 1.00 0.32 H new ATOM 540 N GLN A 34 -8.810 6.992 7.644 1.00 44.04 N ATOM 541 CA GLN A 34 -9.012 7.722 8.925 1.00 11.44 C ATOM 542 C GLN A 34 -10.483 8.187 9.096 1.00 65.24 C ATOM 543 O GLN A 34 -10.930 8.417 10.220 1.00 72.55 O ATOM 544 CB GLN A 34 -8.051 8.939 9.070 1.00 14.34 C ATOM 545 CG GLN A 34 -6.543 8.591 9.123 1.00 71.45 C ATOM 546 CD GLN A 34 -6.148 7.565 10.197 1.00 62.21 C ATOM 547 OE1 GLN A 34 -6.752 7.490 11.267 1.00 75.12 O ATOM 548 NE2 GLN A 34 -5.119 6.776 9.922 1.00 70.12 N ATOM 0 H GLN A 34 -8.177 7.456 6.993 1.00 44.04 H new ATOM 0 HA GLN A 34 -8.777 7.011 9.717 1.00 11.44 H new ATOM 0 HB2 GLN A 34 -8.221 9.617 8.233 1.00 14.34 H new ATOM 0 HB3 GLN A 34 -8.314 9.482 9.978 1.00 14.34 H new ATOM 0 HG2 GLN A 34 -6.240 8.209 8.148 1.00 71.45 H new ATOM 0 HG3 GLN A 34 -5.980 9.508 9.295 1.00 71.45 H new ATOM 0 HE21 GLN A 34 -4.637 6.860 9.027 1.00 70.12 H new ATOM 0 HE22 GLN A 34 -4.809 6.085 10.605 1.00 70.12 H new ATOM 557 N LYS A 35 -11.222 8.304 7.969 1.00 34.23 N ATOM 558 CA LYS A 35 -12.657 8.667 7.983 1.00 73.43 C ATOM 559 C LYS A 35 -13.493 7.517 8.589 1.00 11.35 C ATOM 560 O LYS A 35 -14.499 7.755 9.255 1.00 72.11 O ATOM 561 CB LYS A 35 -13.173 8.974 6.543 1.00 41.31 C ATOM 562 CG LYS A 35 -12.383 10.057 5.769 1.00 74.22 C ATOM 563 CD LYS A 35 -13.017 10.386 4.383 1.00 41.40 C ATOM 564 CE LYS A 35 -13.220 9.138 3.491 1.00 20.41 C ATOM 565 NZ LYS A 35 -13.831 9.475 2.171 1.00 52.23 N ATOM 0 H LYS A 35 -10.845 8.151 7.034 1.00 34.23 H new ATOM 0 HA LYS A 35 -12.768 9.563 8.594 1.00 73.43 H new ATOM 0 HB2 LYS A 35 -13.153 8.051 5.964 1.00 41.31 H new ATOM 0 HB3 LYS A 35 -14.215 9.286 6.608 1.00 41.31 H new ATOM 0 HG2 LYS A 35 -12.337 10.966 6.369 1.00 74.22 H new ATOM 0 HG3 LYS A 35 -11.357 9.719 5.624 1.00 74.22 H new ATOM 0 HD2 LYS A 35 -13.979 10.874 4.538 1.00 41.40 H new ATOM 0 HD3 LYS A 35 -12.379 11.098 3.859 1.00 41.40 H new ATOM 0 HE2 LYS A 35 -12.259 8.650 3.329 1.00 20.41 H new ATOM 0 HE3 LYS A 35 -13.857 8.423 4.011 1.00 20.41 H new ATOM 0 HZ1 LYS A 35 -13.947 8.607 1.610 1.00 52.23 H new ATOM 0 HZ2 LYS A 35 -14.761 9.917 2.321 1.00 52.23 H new ATOM 0 HZ3 LYS A 35 -13.212 10.137 1.661 1.00 52.23 H new ATOM 579 N GLN A 36 -13.044 6.271 8.340 1.00 52.01 N ATOM 580 CA GLN A 36 -13.753 5.040 8.744 1.00 44.04 C ATOM 581 C GLN A 36 -13.240 4.544 10.115 1.00 21.34 C ATOM 582 O GLN A 36 -14.016 4.247 11.026 1.00 63.34 O ATOM 583 CB GLN A 36 -13.532 3.944 7.656 1.00 2.42 C ATOM 584 CG GLN A 36 -13.875 4.377 6.214 1.00 62.20 C ATOM 585 CD GLN A 36 -15.329 4.832 6.035 1.00 60.33 C ATOM 586 OE1 GLN A 36 -15.649 6.014 6.156 1.00 1.13 O ATOM 587 NE2 GLN A 36 -16.219 3.887 5.769 1.00 10.33 N ATOM 0 H GLN A 36 -12.170 6.089 7.847 1.00 52.01 H new ATOM 0 HA GLN A 36 -14.818 5.252 8.838 1.00 44.04 H new ATOM 0 HB2 GLN A 36 -12.489 3.629 7.686 1.00 2.42 H new ATOM 0 HB3 GLN A 36 -14.136 3.073 7.911 1.00 2.42 H new ATOM 0 HG2 GLN A 36 -13.211 5.190 5.921 1.00 62.20 H new ATOM 0 HG3 GLN A 36 -13.678 3.545 5.538 1.00 62.20 H new ATOM 0 HE21 GLN A 36 -15.920 2.916 5.675 1.00 10.33 H new ATOM 0 HE22 GLN A 36 -17.203 4.130 5.658 1.00 10.33 H new ATOM 596 N TYR A 37 -11.909 4.433 10.216 1.00 41.03 N ATOM 597 CA TYR A 37 -11.190 3.945 11.402 1.00 41.25 C ATOM 598 C TYR A 37 -10.138 5.007 11.819 1.00 53.03 C ATOM 599 O TYR A 37 -8.979 4.931 11.392 1.00 30.41 O ATOM 600 CB TYR A 37 -10.509 2.572 11.091 1.00 71.00 C ATOM 601 CG TYR A 37 -11.425 1.572 10.371 1.00 53.54 C ATOM 602 CD1 TYR A 37 -12.493 0.963 11.034 1.00 32.53 C ATOM 603 CD2 TYR A 37 -11.242 1.266 9.017 1.00 14.43 C ATOM 604 CE1 TYR A 37 -13.346 0.096 10.375 1.00 74.41 C ATOM 605 CE2 TYR A 37 -12.088 0.394 8.363 1.00 24.11 C ATOM 606 CZ TYR A 37 -13.139 -0.188 9.045 1.00 24.40 C ATOM 607 OH TYR A 37 -14.002 -1.040 8.384 1.00 52.31 O ATOM 0 H TYR A 37 -11.283 4.688 9.452 1.00 41.03 H new ATOM 0 HA TYR A 37 -11.888 3.791 12.225 1.00 41.25 H new ATOM 0 HB2 TYR A 37 -9.625 2.747 10.478 1.00 71.00 H new ATOM 0 HB3 TYR A 37 -10.166 2.128 12.025 1.00 71.00 H new ATOM 0 HD1 TYR A 37 -12.656 1.173 12.081 1.00 32.53 H new ATOM 0 HD2 TYR A 37 -10.425 1.720 8.476 1.00 14.43 H new ATOM 0 HE1 TYR A 37 -14.172 -0.357 10.903 1.00 74.41 H new ATOM 0 HE2 TYR A 37 -11.929 0.167 7.319 1.00 24.11 H new ATOM 0 HH TYR A 37 -13.717 -1.135 7.451 1.00 52.31 H new ATOM 617 N PRO A 38 -10.541 6.045 12.624 1.00 61.33 N ATOM 618 CA PRO A 38 -9.625 7.143 13.053 1.00 32.31 C ATOM 619 C PRO A 38 -8.553 6.687 14.067 1.00 52.13 C ATOM 620 O PRO A 38 -7.525 7.353 14.241 1.00 45.22 O ATOM 621 CB PRO A 38 -10.600 8.175 13.676 1.00 50.21 C ATOM 622 CG PRO A 38 -11.749 7.351 14.178 1.00 21.15 C ATOM 623 CD PRO A 38 -11.924 6.255 13.152 1.00 43.14 C ATOM 0 HA PRO A 38 -9.036 7.535 12.224 1.00 32.31 H new ATOM 0 HB2 PRO A 38 -10.126 8.730 14.486 1.00 50.21 H new ATOM 0 HB3 PRO A 38 -10.929 8.906 12.938 1.00 50.21 H new ATOM 0 HG2 PRO A 38 -11.537 6.938 15.164 1.00 21.15 H new ATOM 0 HG3 PRO A 38 -12.654 7.952 14.272 1.00 21.15 H new ATOM 0 HD2 PRO A 38 -12.324 5.346 13.601 1.00 43.14 H new ATOM 0 HD3 PRO A 38 -12.614 6.551 12.362 1.00 43.14 H new ATOM 631 N ASN A 39 -8.817 5.551 14.728 1.00 70.45 N ATOM 632 CA ASN A 39 -7.936 4.976 15.766 1.00 62.41 C ATOM 633 C ASN A 39 -6.849 4.096 15.130 1.00 60.53 C ATOM 634 O ASN A 39 -5.769 3.908 15.707 1.00 3.23 O ATOM 635 CB ASN A 39 -8.771 4.138 16.763 1.00 33.23 C ATOM 636 CG ASN A 39 -9.924 4.920 17.402 1.00 72.55 C ATOM 637 OD1 ASN A 39 -11.015 5.015 16.838 1.00 12.33 O ATOM 638 ND2 ASN A 39 -9.706 5.472 18.587 1.00 70.10 N ATOM 0 H ASN A 39 -9.656 4.996 14.558 1.00 70.45 H new ATOM 0 HA ASN A 39 -7.452 5.795 16.299 1.00 62.41 H new ATOM 0 HB2 ASN A 39 -9.175 3.268 16.245 1.00 33.23 H new ATOM 0 HB3 ASN A 39 -8.116 3.764 17.550 1.00 33.23 H new ATOM 0 HD21 ASN A 39 -10.451 5.990 19.053 1.00 70.10 H new ATOM 0 HD22 ASN A 39 -8.793 5.379 19.033 1.00 70.10 H new ATOM 645 N ALA A 40 -7.161 3.550 13.938 1.00 64.42 N ATOM 646 CA ALA A 40 -6.254 2.659 13.199 1.00 22.34 C ATOM 647 C ALA A 40 -5.098 3.464 12.575 1.00 21.24 C ATOM 648 O ALA A 40 -5.306 4.563 12.049 1.00 62.13 O ATOM 649 CB ALA A 40 -7.030 1.888 12.127 1.00 3.34 C ATOM 0 H ALA A 40 -8.049 3.716 13.464 1.00 64.42 H new ATOM 0 HA ALA A 40 -5.824 1.938 13.894 1.00 22.34 H new ATOM 0 HB1 ALA A 40 -6.349 1.231 11.586 1.00 3.34 H new ATOM 0 HB2 ALA A 40 -7.809 1.291 12.601 1.00 3.34 H new ATOM 0 HB3 ALA A 40 -7.485 2.592 11.430 1.00 3.34 H new ATOM 655 N THR A 41 -3.880 2.905 12.639 1.00 71.41 N ATOM 656 CA THR A 41 -2.649 3.588 12.209 1.00 40.51 C ATOM 657 C THR A 41 -2.044 2.882 10.978 1.00 52.24 C ATOM 658 O THR A 41 -1.873 1.664 10.985 1.00 4.24 O ATOM 659 CB THR A 41 -1.617 3.607 13.385 1.00 4.35 C ATOM 660 OG1 THR A 41 -2.229 4.176 14.565 1.00 32.25 O ATOM 661 CG2 THR A 41 -0.347 4.410 13.034 1.00 73.42 C ATOM 0 H THR A 41 -3.720 1.962 12.992 1.00 71.41 H new ATOM 0 HA THR A 41 -2.892 4.614 11.932 1.00 40.51 H new ATOM 0 HB THR A 41 -1.320 2.575 13.571 1.00 4.35 H new ATOM 0 HG1 THR A 41 -1.579 4.184 15.299 1.00 32.25 H new ATOM 0 HG21 THR A 41 0.339 4.394 13.881 1.00 73.42 H new ATOM 0 HG22 THR A 41 0.138 3.963 12.166 1.00 73.42 H new ATOM 0 HG23 THR A 41 -0.619 5.441 12.807 1.00 73.42 H new ATOM 669 N ILE A 42 -1.748 3.663 9.920 1.00 53.12 N ATOM 670 CA ILE A 42 -1.101 3.168 8.695 1.00 4.55 C ATOM 671 C ILE A 42 0.337 3.711 8.637 1.00 20.40 C ATOM 672 O ILE A 42 0.548 4.914 8.478 1.00 62.00 O ATOM 673 CB ILE A 42 -1.910 3.610 7.415 1.00 61.45 C ATOM 674 CG1 ILE A 42 -3.383 3.105 7.512 1.00 62.13 C ATOM 675 CG2 ILE A 42 -1.230 3.110 6.108 1.00 61.22 C ATOM 676 CD1 ILE A 42 -4.290 3.584 6.401 1.00 1.23 C ATOM 0 H ILE A 42 -1.954 4.662 9.894 1.00 53.12 H new ATOM 0 HA ILE A 42 -1.081 2.078 8.714 1.00 4.55 H new ATOM 0 HB ILE A 42 -1.917 4.699 7.375 1.00 61.45 H new ATOM 0 HG12 ILE A 42 -3.379 2.015 7.515 1.00 62.13 H new ATOM 0 HG13 ILE A 42 -3.800 3.425 8.467 1.00 62.13 H new ATOM 0 HG21 ILE A 42 -1.815 3.433 5.247 1.00 61.22 H new ATOM 0 HG22 ILE A 42 -0.224 3.525 6.040 1.00 61.22 H new ATOM 0 HG23 ILE A 42 -1.174 2.022 6.121 1.00 61.22 H new ATOM 0 HD11 ILE A 42 -5.292 3.183 6.551 1.00 1.23 H new ATOM 0 HD12 ILE A 42 -4.330 4.673 6.408 1.00 1.23 H new ATOM 0 HD13 ILE A 42 -3.902 3.241 5.442 1.00 1.23 H new ATOM 688 N THR A 43 1.306 2.823 8.864 1.00 20.02 N ATOM 689 CA THR A 43 2.736 3.109 8.712 1.00 75.21 C ATOM 690 C THR A 43 3.207 2.512 7.365 1.00 63.03 C ATOM 691 O THR A 43 2.764 1.431 6.975 1.00 1.31 O ATOM 692 CB THR A 43 3.536 2.504 9.916 1.00 5.43 C ATOM 693 OG1 THR A 43 2.957 2.964 11.155 1.00 21.00 O ATOM 694 CG2 THR A 43 5.030 2.878 9.889 1.00 64.53 C ATOM 0 H THR A 43 1.117 1.867 9.164 1.00 20.02 H new ATOM 0 HA THR A 43 2.914 4.184 8.711 1.00 75.21 H new ATOM 0 HB THR A 43 3.469 1.419 9.833 1.00 5.43 H new ATOM 0 HG1 THR A 43 3.455 2.585 11.909 1.00 21.00 H new ATOM 0 HG21 THR A 43 5.533 2.431 10.747 1.00 64.53 H new ATOM 0 HG22 THR A 43 5.482 2.506 8.969 1.00 64.53 H new ATOM 0 HG23 THR A 43 5.135 3.962 9.932 1.00 64.53 H new ATOM 702 N ARG A 44 4.067 3.243 6.644 1.00 51.40 N ATOM 703 CA ARG A 44 4.528 2.854 5.296 1.00 31.21 C ATOM 704 C ARG A 44 5.980 3.303 5.064 1.00 5.12 C ATOM 705 O ARG A 44 6.392 4.362 5.555 1.00 53.23 O ATOM 706 CB ARG A 44 3.583 3.419 4.188 1.00 4.42 C ATOM 707 CG ARG A 44 3.585 4.959 3.947 1.00 11.24 C ATOM 708 CD ARG A 44 2.994 5.808 5.102 1.00 43.11 C ATOM 709 NE ARG A 44 3.943 6.002 6.218 1.00 13.02 N ATOM 710 CZ ARG A 44 3.649 6.550 7.411 1.00 11.32 C ATOM 711 NH1 ARG A 44 2.416 6.972 7.690 1.00 75.52 N ATOM 712 NH2 ARG A 44 4.599 6.646 8.336 1.00 43.13 N ATOM 0 H ARG A 44 4.465 4.122 6.975 1.00 51.40 H new ATOM 0 HA ARG A 44 4.496 1.766 5.234 1.00 31.21 H new ATOM 0 HB2 ARG A 44 3.841 2.932 3.247 1.00 4.42 H new ATOM 0 HB3 ARG A 44 2.564 3.120 4.432 1.00 4.42 H new ATOM 0 HG2 ARG A 44 4.611 5.281 3.768 1.00 11.24 H new ATOM 0 HG3 ARG A 44 3.022 5.169 3.038 1.00 11.24 H new ATOM 0 HD2 ARG A 44 2.694 6.781 4.714 1.00 43.11 H new ATOM 0 HD3 ARG A 44 2.093 5.323 5.478 1.00 43.11 H new ATOM 0 HE ARG A 44 4.904 5.694 6.071 1.00 13.02 H new ATOM 0 HH11 ARG A 44 1.676 6.882 6.993 1.00 75.52 H new ATOM 0 HH12 ARG A 44 2.212 7.385 8.600 1.00 75.52 H new ATOM 0 HH21 ARG A 44 5.540 6.306 8.138 1.00 43.13 H new ATOM 0 HH22 ARG A 44 4.387 7.060 9.244 1.00 43.13 H new ATOM 726 N THR A 45 6.742 2.491 4.316 1.00 12.41 N ATOM 727 CA THR A 45 8.137 2.794 3.950 1.00 2.51 C ATOM 728 C THR A 45 8.426 2.264 2.531 1.00 70.41 C ATOM 729 O THR A 45 8.272 1.066 2.271 1.00 70.24 O ATOM 730 CB THR A 45 9.150 2.162 4.975 1.00 55.45 C ATOM 731 OG1 THR A 45 8.845 2.611 6.311 1.00 33.04 O ATOM 732 CG2 THR A 45 10.615 2.518 4.646 1.00 22.53 C ATOM 0 H THR A 45 6.408 1.601 3.945 1.00 12.41 H new ATOM 0 HA THR A 45 8.268 3.876 3.973 1.00 2.51 H new ATOM 0 HB THR A 45 9.042 1.080 4.904 1.00 55.45 H new ATOM 0 HG1 THR A 45 9.479 2.212 6.943 1.00 33.04 H new ATOM 0 HG21 THR A 45 11.275 2.059 5.382 1.00 22.53 H new ATOM 0 HG22 THR A 45 10.865 2.147 3.652 1.00 22.53 H new ATOM 0 HG23 THR A 45 10.741 3.600 4.671 1.00 22.53 H new ATOM 740 N LEU A 46 8.830 3.163 1.611 1.00 52.15 N ATOM 741 CA LEU A 46 9.143 2.805 0.215 1.00 52.20 C ATOM 742 C LEU A 46 10.645 3.021 -0.046 1.00 55.35 C ATOM 743 O LEU A 46 11.186 4.092 0.252 1.00 31.13 O ATOM 744 CB LEU A 46 8.296 3.639 -0.787 1.00 3.40 C ATOM 745 CG LEU A 46 6.731 3.504 -0.692 1.00 34.43 C ATOM 746 CD1 LEU A 46 6.123 4.394 0.418 1.00 75.33 C ATOM 747 CD2 LEU A 46 6.070 3.786 -2.053 1.00 3.31 C ATOM 0 H LEU A 46 8.948 4.155 1.815 1.00 52.15 H new ATOM 0 HA LEU A 46 8.894 1.755 0.064 1.00 52.20 H new ATOM 0 HB2 LEU A 46 8.553 4.690 -0.654 1.00 3.40 H new ATOM 0 HB3 LEU A 46 8.598 3.362 -1.797 1.00 3.40 H new ATOM 0 HG LEU A 46 6.521 2.471 -0.414 1.00 34.43 H new ATOM 0 HD11 LEU A 46 5.041 4.261 0.439 1.00 75.33 H new ATOM 0 HD12 LEU A 46 6.542 4.109 1.383 1.00 75.33 H new ATOM 0 HD13 LEU A 46 6.357 5.439 0.215 1.00 75.33 H new ATOM 0 HD21 LEU A 46 4.989 3.686 -1.960 1.00 3.31 H new ATOM 0 HD22 LEU A 46 6.315 4.799 -2.373 1.00 3.31 H new ATOM 0 HD23 LEU A 46 6.438 3.073 -2.791 1.00 3.31 H new ATOM 759 N THR A 47 11.312 1.992 -0.584 1.00 11.42 N ATOM 760 CA THR A 47 12.743 2.037 -0.925 1.00 62.45 C ATOM 761 C THR A 47 12.982 1.197 -2.200 1.00 32.14 C ATOM 762 O THR A 47 12.313 0.182 -2.400 1.00 2.33 O ATOM 763 CB THR A 47 13.624 1.504 0.263 1.00 12.32 C ATOM 764 OG1 THR A 47 13.257 2.158 1.497 1.00 43.51 O ATOM 765 CG2 THR A 47 15.130 1.716 0.020 1.00 2.33 C ATOM 0 H THR A 47 10.872 1.097 -0.797 1.00 11.42 H new ATOM 0 HA THR A 47 13.034 3.071 -1.109 1.00 62.45 H new ATOM 0 HB THR A 47 13.436 0.433 0.331 1.00 12.32 H new ATOM 0 HG1 THR A 47 13.813 1.815 2.227 1.00 43.51 H new ATOM 0 HG21 THR A 47 15.693 1.331 0.870 1.00 2.33 H new ATOM 0 HG22 THR A 47 15.431 1.187 -0.885 1.00 2.33 H new ATOM 0 HG23 THR A 47 15.333 2.780 -0.098 1.00 2.33 H new ATOM 773 N ARG A 48 13.951 1.612 -3.042 1.00 54.13 N ATOM 774 CA ARG A 48 14.260 0.923 -4.308 1.00 63.53 C ATOM 775 C ARG A 48 15.175 -0.271 -4.005 1.00 34.04 C ATOM 776 O ARG A 48 16.379 -0.105 -3.776 1.00 60.55 O ATOM 777 CB ARG A 48 14.963 1.870 -5.344 1.00 65.41 C ATOM 778 CG ARG A 48 14.098 2.995 -5.972 1.00 3.41 C ATOM 779 CD ARG A 48 13.603 4.033 -4.954 1.00 34.23 C ATOM 780 NE ARG A 48 14.679 4.537 -4.078 1.00 55.30 N ATOM 781 CZ ARG A 48 14.509 4.996 -2.819 1.00 74.34 C ATOM 782 NH1 ARG A 48 13.303 5.050 -2.253 1.00 70.14 N ATOM 783 NH2 ARG A 48 15.564 5.385 -2.125 1.00 21.40 N ATOM 0 H ARG A 48 14.536 2.428 -2.864 1.00 54.13 H new ATOM 0 HA ARG A 48 13.321 0.594 -4.754 1.00 63.53 H new ATOM 0 HB2 ARG A 48 15.818 2.335 -4.852 1.00 65.41 H new ATOM 0 HB3 ARG A 48 15.357 1.254 -6.153 1.00 65.41 H new ATOM 0 HG2 ARG A 48 14.680 3.502 -6.741 1.00 3.41 H new ATOM 0 HG3 ARG A 48 13.237 2.546 -6.468 1.00 3.41 H new ATOM 0 HD2 ARG A 48 13.153 4.871 -5.487 1.00 34.23 H new ATOM 0 HD3 ARG A 48 12.820 3.588 -4.340 1.00 34.23 H new ATOM 0 HE ARG A 48 15.627 4.539 -4.454 1.00 55.30 H new ATOM 0 HH11 ARG A 48 12.482 4.740 -2.772 1.00 70.14 H new ATOM 0 HH12 ARG A 48 13.202 5.401 -1.301 1.00 70.14 H new ATOM 0 HH21 ARG A 48 16.494 5.337 -2.541 1.00 21.40 H new ATOM 0 HH22 ARG A 48 15.448 5.733 -1.173 1.00 21.40 H new ATOM 797 N ASP A 49 14.585 -1.469 -3.972 1.00 60.23 N ATOM 798 CA ASP A 49 15.321 -2.720 -3.733 1.00 2.32 C ATOM 799 C ASP A 49 15.854 -3.239 -5.082 1.00 10.44 C ATOM 800 O ASP A 49 15.250 -4.116 -5.714 1.00 41.24 O ATOM 801 CB ASP A 49 14.412 -3.765 -3.025 1.00 43.12 C ATOM 802 CG ASP A 49 15.178 -5.021 -2.554 1.00 52.43 C ATOM 803 OD1 ASP A 49 15.964 -4.921 -1.585 1.00 12.35 O ATOM 804 OD2 ASP A 49 14.994 -6.114 -3.130 1.00 64.33 O ATOM 0 H ASP A 49 13.583 -1.602 -4.110 1.00 60.23 H new ATOM 0 HA ASP A 49 16.165 -2.539 -3.067 1.00 2.32 H new ATOM 0 HB2 ASP A 49 13.933 -3.296 -2.165 1.00 43.12 H new ATOM 0 HB3 ASP A 49 13.618 -4.067 -3.707 1.00 43.12 H new ATOM 809 N ASP A 50 16.929 -2.572 -5.544 1.00 41.23 N ATOM 810 CA ASP A 50 17.673 -2.899 -6.778 1.00 64.22 C ATOM 811 C ASP A 50 16.762 -2.867 -8.034 1.00 74.45 C ATOM 812 O ASP A 50 16.411 -3.908 -8.609 1.00 53.24 O ATOM 813 CB ASP A 50 18.442 -4.251 -6.613 1.00 45.11 C ATOM 814 CG ASP A 50 19.384 -4.578 -7.794 1.00 72.21 C ATOM 815 OD1 ASP A 50 20.469 -3.961 -7.886 1.00 3.12 O ATOM 816 OD2 ASP A 50 19.050 -5.455 -8.626 1.00 24.31 O ATOM 0 H ASP A 50 17.316 -1.766 -5.054 1.00 41.23 H new ATOM 0 HA ASP A 50 18.420 -2.122 -6.942 1.00 64.22 H new ATOM 0 HB2 ASP A 50 19.026 -4.217 -5.693 1.00 45.11 H new ATOM 0 HB3 ASP A 50 17.719 -5.059 -6.502 1.00 45.11 H new ATOM 821 N GLY A 51 16.314 -1.647 -8.394 1.00 44.14 N ATOM 822 CA GLY A 51 15.507 -1.416 -9.605 1.00 50.22 C ATOM 823 C GLY A 51 14.028 -1.770 -9.459 1.00 13.04 C ATOM 824 O GLY A 51 13.226 -1.445 -10.339 1.00 71.43 O ATOM 0 H GLY A 51 16.501 -0.801 -7.856 1.00 44.14 H new ATOM 0 HA2 GLY A 51 15.590 -0.366 -9.887 1.00 50.22 H new ATOM 0 HA3 GLY A 51 15.928 -2.000 -10.423 1.00 50.22 H new ATOM 828 N THR A 52 13.674 -2.470 -8.369 1.00 22.11 N ATOM 829 CA THR A 52 12.288 -2.808 -8.033 1.00 54.40 C ATOM 830 C THR A 52 11.865 -1.967 -6.816 1.00 63.40 C ATOM 831 O THR A 52 12.694 -1.707 -5.943 1.00 20.33 O ATOM 832 CB THR A 52 12.169 -4.338 -7.703 1.00 14.51 C ATOM 833 OG1 THR A 52 12.872 -5.105 -8.700 1.00 53.21 O ATOM 834 CG2 THR A 52 10.704 -4.811 -7.656 1.00 54.01 C ATOM 0 H THR A 52 14.352 -2.819 -7.691 1.00 22.11 H new ATOM 0 HA THR A 52 11.636 -2.592 -8.879 1.00 54.40 H new ATOM 0 HB THR A 52 12.607 -4.491 -6.717 1.00 14.51 H new ATOM 0 HG1 THR A 52 12.798 -6.060 -8.491 1.00 53.21 H new ATOM 0 HG21 THR A 52 10.673 -5.876 -7.424 1.00 54.01 H new ATOM 0 HG22 THR A 52 10.167 -4.256 -6.887 1.00 54.01 H new ATOM 0 HG23 THR A 52 10.234 -4.636 -8.624 1.00 54.01 H new ATOM 842 N VAL A 53 10.589 -1.533 -6.750 1.00 40.32 N ATOM 843 CA VAL A 53 10.079 -0.797 -5.580 1.00 61.54 C ATOM 844 C VAL A 53 9.667 -1.803 -4.498 1.00 61.23 C ATOM 845 O VAL A 53 8.889 -2.721 -4.764 1.00 2.11 O ATOM 846 CB VAL A 53 8.853 0.138 -5.929 1.00 40.53 C ATOM 847 CG1 VAL A 53 8.363 0.914 -4.676 1.00 23.12 C ATOM 848 CG2 VAL A 53 9.214 1.104 -7.079 1.00 12.34 C ATOM 0 H VAL A 53 9.900 -1.679 -7.488 1.00 40.32 H new ATOM 0 HA VAL A 53 10.881 -0.149 -5.225 1.00 61.54 H new ATOM 0 HB VAL A 53 8.031 -0.494 -6.264 1.00 40.53 H new ATOM 0 HG11 VAL A 53 7.519 1.548 -4.948 1.00 23.12 H new ATOM 0 HG12 VAL A 53 8.052 0.206 -3.908 1.00 23.12 H new ATOM 0 HG13 VAL A 53 9.173 1.533 -4.292 1.00 23.12 H new ATOM 0 HG21 VAL A 53 8.357 1.739 -7.304 1.00 12.34 H new ATOM 0 HG22 VAL A 53 10.058 1.726 -6.780 1.00 12.34 H new ATOM 0 HG23 VAL A 53 9.483 0.530 -7.966 1.00 12.34 H new ATOM 858 N GLU A 54 10.219 -1.635 -3.297 1.00 64.14 N ATOM 859 CA GLU A 54 9.852 -2.425 -2.121 1.00 74.54 C ATOM 860 C GLU A 54 9.080 -1.524 -1.149 1.00 74.00 C ATOM 861 O GLU A 54 9.657 -0.633 -0.514 1.00 23.22 O ATOM 862 CB GLU A 54 11.106 -3.037 -1.441 1.00 12.53 C ATOM 863 CG GLU A 54 10.793 -3.875 -0.178 1.00 61.12 C ATOM 864 CD GLU A 54 12.014 -4.596 0.419 1.00 73.22 C ATOM 865 OE1 GLU A 54 12.764 -3.966 1.201 1.00 1.41 O ATOM 866 OE2 GLU A 54 12.217 -5.796 0.132 1.00 22.43 O ATOM 0 H GLU A 54 10.941 -0.939 -3.111 1.00 64.14 H new ATOM 0 HA GLU A 54 9.220 -3.259 -2.426 1.00 74.54 H new ATOM 0 HB2 GLU A 54 11.626 -3.667 -2.162 1.00 12.53 H new ATOM 0 HB3 GLU A 54 11.789 -2.232 -1.170 1.00 12.53 H new ATOM 0 HG2 GLU A 54 10.364 -3.221 0.581 1.00 61.12 H new ATOM 0 HG3 GLU A 54 10.033 -4.616 -0.426 1.00 61.12 H new ATOM 873 N LEU A 55 7.769 -1.740 -1.094 1.00 12.12 N ATOM 874 CA LEU A 55 6.864 -1.076 -0.151 1.00 1.34 C ATOM 875 C LEU A 55 6.701 -1.976 1.085 1.00 33.01 C ATOM 876 O LEU A 55 6.649 -3.195 0.972 1.00 1.50 O ATOM 877 CB LEU A 55 5.493 -0.819 -0.839 1.00 73.24 C ATOM 878 CG LEU A 55 4.313 -0.393 0.093 1.00 21.35 C ATOM 879 CD1 LEU A 55 4.632 0.903 0.869 1.00 45.51 C ATOM 880 CD2 LEU A 55 2.997 -0.280 -0.705 1.00 10.12 C ATOM 0 H LEU A 55 7.293 -2.394 -1.715 1.00 12.12 H new ATOM 0 HA LEU A 55 7.272 -0.114 0.159 1.00 1.34 H new ATOM 0 HB2 LEU A 55 5.630 -0.043 -1.592 1.00 73.24 H new ATOM 0 HB3 LEU A 55 5.200 -1.727 -1.366 1.00 73.24 H new ATOM 0 HG LEU A 55 4.180 -1.176 0.840 1.00 21.35 H new ATOM 0 HD11 LEU A 55 3.786 1.164 1.505 1.00 45.51 H new ATOM 0 HD12 LEU A 55 5.516 0.749 1.487 1.00 45.51 H new ATOM 0 HD13 LEU A 55 4.819 1.713 0.164 1.00 45.51 H new ATOM 0 HD21 LEU A 55 2.190 0.018 -0.036 1.00 10.12 H new ATOM 0 HD22 LEU A 55 3.111 0.467 -1.491 1.00 10.12 H new ATOM 0 HD23 LEU A 55 2.759 -1.245 -1.153 1.00 10.12 H new ATOM 892 N ARG A 56 6.689 -1.357 2.270 1.00 22.11 N ATOM 893 CA ARG A 56 6.486 -2.056 3.546 1.00 43.52 C ATOM 894 C ARG A 56 5.350 -1.388 4.322 1.00 64.03 C ATOM 895 O ARG A 56 5.499 -0.265 4.808 1.00 22.14 O ATOM 896 CB ARG A 56 7.819 -2.093 4.345 1.00 25.10 C ATOM 897 CG ARG A 56 8.909 -2.926 3.633 1.00 22.20 C ATOM 898 CD ARG A 56 10.208 -3.081 4.427 1.00 13.03 C ATOM 899 NE ARG A 56 11.125 -4.023 3.762 1.00 13.33 N ATOM 900 CZ ARG A 56 11.555 -5.192 4.271 1.00 12.41 C ATOM 901 NH1 ARG A 56 11.167 -5.606 5.479 1.00 65.42 N ATOM 902 NH2 ARG A 56 12.370 -5.951 3.550 1.00 31.34 N ATOM 0 H ARG A 56 6.821 -0.351 2.373 1.00 22.11 H new ATOM 0 HA ARG A 56 6.192 -3.090 3.368 1.00 43.52 H new ATOM 0 HB2 ARG A 56 8.181 -1.075 4.491 1.00 25.10 H new ATOM 0 HB3 ARG A 56 7.635 -2.511 5.335 1.00 25.10 H new ATOM 0 HG2 ARG A 56 8.509 -3.917 3.418 1.00 22.20 H new ATOM 0 HG3 ARG A 56 9.137 -2.459 2.675 1.00 22.20 H new ATOM 0 HD2 ARG A 56 10.692 -2.110 4.532 1.00 13.03 H new ATOM 0 HD3 ARG A 56 9.983 -3.436 5.433 1.00 13.03 H new ATOM 0 HE ARG A 56 11.464 -3.767 2.835 1.00 13.33 H new ATOM 0 HH11 ARG A 56 10.533 -5.033 6.035 1.00 65.42 H new ATOM 0 HH12 ARG A 56 11.505 -6.496 5.846 1.00 65.42 H new ATOM 0 HH21 ARG A 56 12.663 -5.646 2.622 1.00 31.34 H new ATOM 0 HH22 ARG A 56 12.703 -6.839 3.924 1.00 31.34 H new ATOM 916 N ILE A 57 4.204 -2.084 4.389 1.00 51.23 N ATOM 917 CA ILE A 57 2.990 -1.619 5.071 1.00 51.35 C ATOM 918 C ILE A 57 2.904 -2.244 6.478 1.00 21.44 C ATOM 919 O ILE A 57 3.119 -3.444 6.650 1.00 42.12 O ATOM 920 CB ILE A 57 1.701 -1.992 4.235 1.00 61.21 C ATOM 921 CG1 ILE A 57 1.666 -1.241 2.867 1.00 3.21 C ATOM 922 CG2 ILE A 57 0.395 -1.734 5.023 1.00 2.23 C ATOM 923 CD1 ILE A 57 1.558 0.279 2.969 1.00 11.01 C ATOM 0 H ILE A 57 4.095 -3.004 3.962 1.00 51.23 H new ATOM 0 HA ILE A 57 3.040 -0.534 5.163 1.00 51.35 H new ATOM 0 HB ILE A 57 1.763 -3.062 4.039 1.00 61.21 H new ATOM 0 HG12 ILE A 57 2.569 -1.490 2.310 1.00 3.21 H new ATOM 0 HG13 ILE A 57 0.821 -1.612 2.287 1.00 3.21 H new ATOM 0 HG21 ILE A 57 -0.462 -2.006 4.406 1.00 2.23 H new ATOM 0 HG22 ILE A 57 0.393 -2.336 5.932 1.00 2.23 H new ATOM 0 HG23 ILE A 57 0.332 -0.678 5.287 1.00 2.23 H new ATOM 0 HD11 ILE A 57 1.541 0.711 1.968 1.00 11.01 H new ATOM 0 HD12 ILE A 57 0.641 0.544 3.494 1.00 11.01 H new ATOM 0 HD13 ILE A 57 2.416 0.669 3.517 1.00 11.01 H new ATOM 935 N LYS A 58 2.587 -1.414 7.464 1.00 3.34 N ATOM 936 CA LYS A 58 2.374 -1.819 8.850 1.00 73.24 C ATOM 937 C LYS A 58 1.057 -1.181 9.319 1.00 1.15 C ATOM 938 O LYS A 58 1.007 0.019 9.581 1.00 64.25 O ATOM 939 CB LYS A 58 3.588 -1.348 9.708 1.00 10.21 C ATOM 940 CG LYS A 58 3.426 -1.505 11.237 1.00 53.42 C ATOM 941 CD LYS A 58 4.622 -0.912 12.029 1.00 54.54 C ATOM 942 CE LYS A 58 4.448 -1.038 13.552 1.00 44.50 C ATOM 943 NZ LYS A 58 5.620 -0.510 14.306 1.00 32.31 N ATOM 0 H LYS A 58 2.467 -0.412 7.318 1.00 3.34 H new ATOM 0 HA LYS A 58 2.301 -2.902 8.953 1.00 73.24 H new ATOM 0 HB2 LYS A 58 4.470 -1.907 9.395 1.00 10.21 H new ATOM 0 HB3 LYS A 58 3.781 -0.298 9.487 1.00 10.21 H new ATOM 0 HG2 LYS A 58 2.506 -1.013 11.553 1.00 53.42 H new ATOM 0 HG3 LYS A 58 3.322 -2.562 11.481 1.00 53.42 H new ATOM 0 HD2 LYS A 58 5.538 -1.420 11.729 1.00 54.54 H new ATOM 0 HD3 LYS A 58 4.740 0.139 11.767 1.00 54.54 H new ATOM 0 HE2 LYS A 58 3.551 -0.500 13.858 1.00 44.50 H new ATOM 0 HE3 LYS A 58 4.295 -2.086 13.812 1.00 44.50 H new ATOM 0 HZ1 LYS A 58 5.453 -0.618 15.327 1.00 32.31 H new ATOM 0 HZ2 LYS A 58 6.473 -1.040 14.037 1.00 32.31 H new ATOM 0 HZ3 LYS A 58 5.752 0.497 14.081 1.00 32.31 H new ATOM 957 N VAL A 59 -0.020 -1.979 9.373 1.00 22.23 N ATOM 958 CA VAL A 59 -1.342 -1.510 9.840 1.00 33.23 C ATOM 959 C VAL A 59 -1.574 -2.013 11.265 1.00 45.22 C ATOM 960 O VAL A 59 -1.351 -3.187 11.561 1.00 45.45 O ATOM 961 CB VAL A 59 -2.529 -1.977 8.903 1.00 13.21 C ATOM 962 CG1 VAL A 59 -3.906 -1.529 9.459 1.00 44.34 C ATOM 963 CG2 VAL A 59 -2.325 -1.460 7.459 1.00 24.25 C ATOM 0 H VAL A 59 -0.005 -2.961 9.097 1.00 22.23 H new ATOM 0 HA VAL A 59 -1.333 -0.420 9.812 1.00 33.23 H new ATOM 0 HB VAL A 59 -2.522 -3.067 8.883 1.00 13.21 H new ATOM 0 HG11 VAL A 59 -4.696 -1.868 8.789 1.00 44.34 H new ATOM 0 HG12 VAL A 59 -4.058 -1.962 10.448 1.00 44.34 H new ATOM 0 HG13 VAL A 59 -3.933 -0.442 9.531 1.00 44.34 H new ATOM 0 HG21 VAL A 59 -3.153 -1.793 6.833 1.00 24.25 H new ATOM 0 HG22 VAL A 59 -2.290 -0.371 7.464 1.00 24.25 H new ATOM 0 HG23 VAL A 59 -1.389 -1.852 7.061 1.00 24.25 H new ATOM 973 N LYS A 60 -2.011 -1.111 12.141 1.00 3.50 N ATOM 974 CA LYS A 60 -2.310 -1.418 13.539 1.00 3.04 C ATOM 975 C LYS A 60 -3.805 -1.148 13.785 1.00 54.01 C ATOM 976 O LYS A 60 -4.261 -0.004 13.661 1.00 35.52 O ATOM 977 CB LYS A 60 -1.412 -0.552 14.456 1.00 55.43 C ATOM 978 CG LYS A 60 -1.512 -0.896 15.956 1.00 14.22 C ATOM 979 CD LYS A 60 -0.581 -0.023 16.834 1.00 21.22 C ATOM 980 CE LYS A 60 -0.932 1.473 16.754 1.00 11.14 C ATOM 981 NZ LYS A 60 -0.085 2.293 17.659 1.00 43.15 N ATOM 0 H LYS A 60 -2.170 -0.133 11.897 1.00 3.50 H new ATOM 0 HA LYS A 60 -2.103 -2.464 13.765 1.00 3.04 H new ATOM 0 HB2 LYS A 60 -0.375 -0.664 14.139 1.00 55.43 H new ATOM 0 HB3 LYS A 60 -1.677 0.496 14.318 1.00 55.43 H new ATOM 0 HG2 LYS A 60 -2.543 -0.766 16.286 1.00 14.22 H new ATOM 0 HG3 LYS A 60 -1.261 -1.947 16.101 1.00 14.22 H new ATOM 0 HD2 LYS A 60 -0.648 -0.354 17.870 1.00 21.22 H new ATOM 0 HD3 LYS A 60 0.452 -0.168 16.519 1.00 21.22 H new ATOM 0 HE2 LYS A 60 -0.808 1.820 15.728 1.00 11.14 H new ATOM 0 HE3 LYS A 60 -1.981 1.614 17.013 1.00 11.14 H new ATOM 0 HZ1 LYS A 60 -0.354 3.294 17.574 1.00 43.15 H new ATOM 0 HZ2 LYS A 60 -0.222 1.980 18.641 1.00 43.15 H new ATOM 0 HZ3 LYS A 60 0.915 2.180 17.396 1.00 43.15 H new ATOM 995 N ALA A 61 -4.556 -2.213 14.093 1.00 41.51 N ATOM 996 CA ALA A 61 -6.015 -2.165 14.334 1.00 50.12 C ATOM 997 C ALA A 61 -6.387 -3.213 15.389 1.00 34.41 C ATOM 998 O ALA A 61 -5.631 -4.169 15.597 1.00 3.03 O ATOM 999 CB ALA A 61 -6.783 -2.391 13.018 1.00 2.42 C ATOM 0 H ALA A 61 -4.166 -3.151 14.185 1.00 41.51 H new ATOM 0 HA ALA A 61 -6.294 -1.181 14.709 1.00 50.12 H new ATOM 0 HB1 ALA A 61 -7.855 -2.353 13.211 1.00 2.42 H new ATOM 0 HB2 ALA A 61 -6.515 -1.614 12.302 1.00 2.42 H new ATOM 0 HB3 ALA A 61 -6.523 -3.367 12.608 1.00 2.42 H new ATOM 1005 N ASP A 62 -7.546 -3.037 16.048 1.00 63.22 N ATOM 1006 CA ASP A 62 -7.957 -3.891 17.181 1.00 2.42 C ATOM 1007 C ASP A 62 -8.228 -5.332 16.733 1.00 51.15 C ATOM 1008 O ASP A 62 -7.705 -6.285 17.330 1.00 23.35 O ATOM 1009 CB ASP A 62 -9.172 -3.283 17.916 1.00 23.24 C ATOM 1010 CG ASP A 62 -8.844 -1.934 18.577 1.00 31.44 C ATOM 1011 OD1 ASP A 62 -8.357 -1.926 19.732 1.00 75.14 O ATOM 1012 OD2 ASP A 62 -9.069 -0.878 17.939 1.00 73.31 O ATOM 0 H ASP A 62 -8.219 -2.307 15.815 1.00 63.22 H new ATOM 0 HA ASP A 62 -7.128 -3.930 17.887 1.00 2.42 H new ATOM 0 HB2 ASP A 62 -9.990 -3.148 17.209 1.00 23.24 H new ATOM 0 HB3 ASP A 62 -9.520 -3.982 18.677 1.00 23.24 H new ATOM 1017 N THR A 63 -9.050 -5.482 15.691 1.00 74.13 N ATOM 1018 CA THR A 63 -9.267 -6.777 15.032 1.00 40.51 C ATOM 1019 C THR A 63 -8.386 -6.871 13.779 1.00 42.42 C ATOM 1020 O THR A 63 -8.181 -5.863 13.072 1.00 42.13 O ATOM 1021 CB THR A 63 -10.762 -6.996 14.630 1.00 72.50 C ATOM 1022 OG1 THR A 63 -11.233 -5.895 13.835 1.00 2.41 O ATOM 1023 CG2 THR A 63 -11.673 -7.168 15.854 1.00 63.03 C ATOM 0 H THR A 63 -9.582 -4.715 15.281 1.00 74.13 H new ATOM 0 HA THR A 63 -8.999 -7.555 15.747 1.00 40.51 H new ATOM 0 HB THR A 63 -10.803 -7.917 14.049 1.00 72.50 H new ATOM 0 HG1 THR A 63 -12.170 -6.046 13.589 1.00 2.41 H new ATOM 0 HG21 THR A 63 -12.701 -7.317 15.524 1.00 63.03 H new ATOM 0 HG22 THR A 63 -11.348 -8.034 16.431 1.00 63.03 H new ATOM 0 HG23 THR A 63 -11.618 -6.275 16.477 1.00 63.03 H new ATOM 1031 N GLU A 64 -7.873 -8.093 13.500 1.00 74.51 N ATOM 1032 CA GLU A 64 -7.134 -8.378 12.264 1.00 25.35 C ATOM 1033 C GLU A 64 -8.055 -8.235 11.051 1.00 12.21 C ATOM 1034 O GLU A 64 -7.587 -7.972 9.974 1.00 75.33 O ATOM 1035 CB GLU A 64 -6.425 -9.768 12.336 1.00 1.20 C ATOM 1036 CG GLU A 64 -7.336 -11.019 12.430 1.00 35.21 C ATOM 1037 CD GLU A 64 -7.895 -11.511 11.078 1.00 31.35 C ATOM 1038 OE1 GLU A 64 -7.089 -11.872 10.189 1.00 5.10 O ATOM 1039 OE2 GLU A 64 -9.138 -11.537 10.901 1.00 34.53 O ATOM 0 H GLU A 64 -7.963 -8.896 14.123 1.00 74.51 H new ATOM 0 HA GLU A 64 -6.338 -7.642 12.148 1.00 25.35 H new ATOM 0 HB2 GLU A 64 -5.795 -9.873 11.453 1.00 1.20 H new ATOM 0 HB3 GLU A 64 -5.762 -9.766 13.201 1.00 1.20 H new ATOM 0 HG2 GLU A 64 -6.771 -11.829 12.891 1.00 35.21 H new ATOM 0 HG3 GLU A 64 -8.171 -10.795 13.093 1.00 35.21 H new ATOM 1046 N GLU A 65 -9.383 -8.376 11.278 1.00 11.22 N ATOM 1047 CA GLU A 65 -10.426 -8.133 10.270 1.00 23.11 C ATOM 1048 C GLU A 65 -10.251 -6.726 9.653 1.00 25.43 C ATOM 1049 O GLU A 65 -10.033 -6.595 8.441 1.00 15.42 O ATOM 1050 CB GLU A 65 -11.820 -8.319 10.948 1.00 34.53 C ATOM 1051 CG GLU A 65 -13.056 -8.287 10.008 1.00 24.34 C ATOM 1052 CD GLU A 65 -13.447 -6.886 9.488 1.00 75.03 C ATOM 1053 OE1 GLU A 65 -13.899 -6.043 10.298 1.00 33.15 O ATOM 1054 OE2 GLU A 65 -13.270 -6.613 8.282 1.00 61.12 O ATOM 0 H GLU A 65 -9.758 -8.666 12.181 1.00 11.22 H new ATOM 0 HA GLU A 65 -10.346 -8.846 9.449 1.00 23.11 H new ATOM 0 HB2 GLU A 65 -11.818 -9.272 11.477 1.00 34.53 H new ATOM 0 HB3 GLU A 65 -11.942 -7.538 11.699 1.00 34.53 H new ATOM 0 HG2 GLU A 65 -12.859 -8.933 9.153 1.00 24.34 H new ATOM 0 HG3 GLU A 65 -13.908 -8.711 10.539 1.00 24.34 H new ATOM 1061 N LYS A 66 -10.311 -5.691 10.514 1.00 11.22 N ATOM 1062 CA LYS A 66 -10.177 -4.290 10.085 1.00 52.30 C ATOM 1063 C LYS A 66 -8.774 -4.030 9.522 1.00 22.01 C ATOM 1064 O LYS A 66 -8.630 -3.329 8.527 1.00 11.02 O ATOM 1065 CB LYS A 66 -10.483 -3.318 11.258 1.00 24.02 C ATOM 1066 CG LYS A 66 -11.936 -3.402 11.768 1.00 52.51 C ATOM 1067 CD LYS A 66 -12.230 -2.427 12.931 1.00 64.15 C ATOM 1068 CE LYS A 66 -13.692 -2.502 13.397 1.00 64.03 C ATOM 1069 NZ LYS A 66 -13.975 -1.557 14.508 1.00 21.31 N ATOM 0 H LYS A 66 -10.453 -5.804 11.518 1.00 11.22 H new ATOM 0 HA LYS A 66 -10.906 -4.107 9.295 1.00 52.30 H new ATOM 0 HB2 LYS A 66 -9.804 -3.533 12.083 1.00 24.02 H new ATOM 0 HB3 LYS A 66 -10.279 -2.297 10.935 1.00 24.02 H new ATOM 0 HG2 LYS A 66 -12.617 -3.190 10.943 1.00 52.51 H new ATOM 0 HG3 LYS A 66 -12.141 -4.421 12.096 1.00 52.51 H new ATOM 0 HD2 LYS A 66 -11.571 -2.655 13.769 1.00 64.15 H new ATOM 0 HD3 LYS A 66 -12.003 -1.409 12.615 1.00 64.15 H new ATOM 0 HE2 LYS A 66 -14.351 -2.281 12.557 1.00 64.03 H new ATOM 0 HE3 LYS A 66 -13.917 -3.518 13.720 1.00 64.03 H new ATOM 0 HZ1 LYS A 66 -14.972 -1.642 14.790 1.00 21.31 H new ATOM 0 HZ2 LYS A 66 -13.365 -1.783 15.320 1.00 21.31 H new ATOM 0 HZ3 LYS A 66 -13.786 -0.584 14.193 1.00 21.31 H new ATOM 1083 N ALA A 67 -7.765 -4.645 10.157 1.00 4.23 N ATOM 1084 CA ALA A 67 -6.356 -4.505 9.765 1.00 64.33 C ATOM 1085 C ALA A 67 -6.079 -5.024 8.327 1.00 74.55 C ATOM 1086 O ALA A 67 -5.393 -4.349 7.548 1.00 44.13 O ATOM 1087 CB ALA A 67 -5.487 -5.216 10.805 1.00 2.24 C ATOM 0 H ALA A 67 -7.905 -5.257 10.961 1.00 4.23 H new ATOM 0 HA ALA A 67 -6.103 -3.445 9.740 1.00 64.33 H new ATOM 0 HB1 ALA A 67 -4.437 -5.121 10.528 1.00 2.24 H new ATOM 0 HB2 ALA A 67 -5.647 -4.763 11.783 1.00 2.24 H new ATOM 0 HB3 ALA A 67 -5.758 -6.271 10.845 1.00 2.24 H new ATOM 1093 N LYS A 68 -6.646 -6.204 7.973 1.00 52.31 N ATOM 1094 CA LYS A 68 -6.489 -6.811 6.623 1.00 64.54 C ATOM 1095 C LYS A 68 -7.305 -6.036 5.584 1.00 4.31 C ATOM 1096 O LYS A 68 -6.922 -5.965 4.413 1.00 73.03 O ATOM 1097 CB LYS A 68 -6.948 -8.299 6.595 1.00 4.34 C ATOM 1098 CG LYS A 68 -6.233 -9.235 7.581 1.00 10.43 C ATOM 1099 CD LYS A 68 -4.707 -9.288 7.395 1.00 30.41 C ATOM 1100 CE LYS A 68 -4.042 -10.156 8.471 1.00 61.12 C ATOM 1101 NZ LYS A 68 -4.621 -11.527 8.526 1.00 62.40 N ATOM 0 H LYS A 68 -7.220 -6.759 8.607 1.00 52.31 H new ATOM 0 HA LYS A 68 -5.427 -6.764 6.383 1.00 64.54 H new ATOM 0 HB2 LYS A 68 -8.018 -8.334 6.800 1.00 4.34 H new ATOM 0 HB3 LYS A 68 -6.804 -8.686 5.586 1.00 4.34 H new ATOM 0 HG2 LYS A 68 -6.454 -8.912 8.598 1.00 10.43 H new ATOM 0 HG3 LYS A 68 -6.638 -10.241 7.470 1.00 10.43 H new ATOM 0 HD2 LYS A 68 -4.473 -9.687 6.408 1.00 30.41 H new ATOM 0 HD3 LYS A 68 -4.299 -8.278 7.436 1.00 30.41 H new ATOM 0 HE2 LYS A 68 -2.973 -10.223 8.271 1.00 61.12 H new ATOM 0 HE3 LYS A 68 -4.155 -9.676 9.443 1.00 61.12 H new ATOM 0 HZ1 LYS A 68 -3.913 -12.188 8.906 1.00 62.40 H new ATOM 0 HZ2 LYS A 68 -5.459 -11.525 9.142 1.00 62.40 H new ATOM 0 HZ3 LYS A 68 -4.896 -11.827 7.569 1.00 62.40 H new ATOM 1115 N SER A 69 -8.449 -5.486 6.038 1.00 24.40 N ATOM 1116 CA SER A 69 -9.354 -4.689 5.202 1.00 45.51 C ATOM 1117 C SER A 69 -8.654 -3.403 4.738 1.00 44.44 C ATOM 1118 O SER A 69 -8.743 -3.027 3.572 1.00 14.34 O ATOM 1119 CB SER A 69 -10.641 -4.362 5.991 1.00 74.15 C ATOM 1120 OG SER A 69 -11.598 -3.675 5.201 1.00 64.41 O ATOM 0 H SER A 69 -8.768 -5.586 7.002 1.00 24.40 H new ATOM 0 HA SER A 69 -9.626 -5.264 4.317 1.00 45.51 H new ATOM 0 HB2 SER A 69 -11.079 -5.287 6.366 1.00 74.15 H new ATOM 0 HB3 SER A 69 -10.387 -3.755 6.860 1.00 74.15 H new ATOM 0 HG SER A 69 -12.395 -3.490 5.740 1.00 64.41 H new ATOM 1126 N ILE A 70 -7.921 -2.769 5.674 1.00 75.12 N ATOM 1127 CA ILE A 70 -7.138 -1.552 5.411 1.00 1.51 C ATOM 1128 C ILE A 70 -5.972 -1.850 4.443 1.00 45.22 C ATOM 1129 O ILE A 70 -5.730 -1.069 3.516 1.00 34.22 O ATOM 1130 CB ILE A 70 -6.612 -0.933 6.757 1.00 34.23 C ATOM 1131 CG1 ILE A 70 -7.811 -0.473 7.652 1.00 64.32 C ATOM 1132 CG2 ILE A 70 -5.631 0.237 6.500 1.00 75.24 C ATOM 1133 CD1 ILE A 70 -7.428 -0.062 9.063 1.00 42.11 C ATOM 0 H ILE A 70 -7.857 -3.092 6.640 1.00 75.12 H new ATOM 0 HA ILE A 70 -7.789 -0.820 4.934 1.00 1.51 H new ATOM 0 HB ILE A 70 -6.060 -1.708 7.289 1.00 34.23 H new ATOM 0 HG12 ILE A 70 -8.309 0.366 7.166 1.00 64.32 H new ATOM 0 HG13 ILE A 70 -8.537 -1.284 7.709 1.00 64.32 H new ATOM 0 HG21 ILE A 70 -5.288 0.640 7.453 1.00 75.24 H new ATOM 0 HG22 ILE A 70 -4.775 -0.124 5.930 1.00 75.24 H new ATOM 0 HG23 ILE A 70 -6.138 1.020 5.936 1.00 75.24 H new ATOM 0 HD11 ILE A 70 -8.321 0.241 9.609 1.00 42.11 H new ATOM 0 HD12 ILE A 70 -6.959 -0.904 9.573 1.00 42.11 H new ATOM 0 HD13 ILE A 70 -6.728 0.772 9.022 1.00 42.11 H new ATOM 1145 N ILE A 71 -5.280 -3.002 4.653 1.00 64.41 N ATOM 1146 CA ILE A 71 -4.233 -3.484 3.722 1.00 50.14 C ATOM 1147 C ILE A 71 -4.829 -3.666 2.316 1.00 51.33 C ATOM 1148 O ILE A 71 -4.254 -3.201 1.348 1.00 31.01 O ATOM 1149 CB ILE A 71 -3.572 -4.841 4.190 1.00 24.52 C ATOM 1150 CG1 ILE A 71 -2.836 -4.657 5.550 1.00 14.00 C ATOM 1151 CG2 ILE A 71 -2.597 -5.416 3.116 1.00 32.11 C ATOM 1152 CD1 ILE A 71 -2.211 -5.925 6.097 1.00 54.32 C ATOM 0 H ILE A 71 -5.431 -3.610 5.458 1.00 64.41 H new ATOM 0 HA ILE A 71 -3.448 -2.727 3.710 1.00 50.14 H new ATOM 0 HB ILE A 71 -4.378 -5.563 4.322 1.00 24.52 H new ATOM 0 HG12 ILE A 71 -2.057 -3.904 5.429 1.00 14.00 H new ATOM 0 HG13 ILE A 71 -3.543 -4.269 6.283 1.00 14.00 H new ATOM 0 HG21 ILE A 71 -2.165 -6.349 3.479 1.00 32.11 H new ATOM 0 HG22 ILE A 71 -3.144 -5.604 2.192 1.00 32.11 H new ATOM 0 HG23 ILE A 71 -1.800 -4.697 2.926 1.00 32.11 H new ATOM 0 HD11 ILE A 71 -1.719 -5.708 7.045 1.00 54.32 H new ATOM 0 HD12 ILE A 71 -2.987 -6.675 6.253 1.00 54.32 H new ATOM 0 HD13 ILE A 71 -1.477 -6.305 5.386 1.00 54.32 H new ATOM 1164 N LYS A 72 -6.029 -4.285 2.244 1.00 72.43 N ATOM 1165 CA LYS A 72 -6.694 -4.592 0.967 1.00 53.42 C ATOM 1166 C LYS A 72 -7.118 -3.296 0.248 1.00 33.13 C ATOM 1167 O LYS A 72 -7.070 -3.238 -0.974 1.00 30.11 O ATOM 1168 CB LYS A 72 -7.904 -5.543 1.177 1.00 2.31 C ATOM 1169 CG LYS A 72 -8.604 -5.983 -0.137 1.00 50.44 C ATOM 1170 CD LYS A 72 -9.685 -7.064 0.084 1.00 52.32 C ATOM 1171 CE LYS A 72 -10.454 -7.405 -1.208 1.00 33.32 C ATOM 1172 NZ LYS A 72 -9.569 -7.932 -2.290 1.00 51.30 N ATOM 0 H LYS A 72 -6.556 -4.582 3.065 1.00 72.43 H new ATOM 0 HA LYS A 72 -5.978 -5.111 0.330 1.00 53.42 H new ATOM 0 HB2 LYS A 72 -7.565 -6.431 1.710 1.00 2.31 H new ATOM 0 HB3 LYS A 72 -8.635 -5.047 1.816 1.00 2.31 H new ATOM 0 HG2 LYS A 72 -9.061 -5.112 -0.607 1.00 50.44 H new ATOM 0 HG3 LYS A 72 -7.855 -6.364 -0.831 1.00 50.44 H new ATOM 0 HD2 LYS A 72 -9.216 -7.968 0.473 1.00 52.32 H new ATOM 0 HD3 LYS A 72 -10.389 -6.719 0.841 1.00 52.32 H new ATOM 0 HE2 LYS A 72 -11.223 -8.144 -0.983 1.00 33.32 H new ATOM 0 HE3 LYS A 72 -10.965 -6.512 -1.567 1.00 33.32 H new ATOM 0 HZ1 LYS A 72 -10.144 -8.175 -3.121 1.00 51.30 H new ATOM 0 HZ2 LYS A 72 -8.871 -7.207 -2.552 1.00 51.30 H new ATOM 0 HZ3 LYS A 72 -9.074 -8.781 -1.951 1.00 51.30 H new ATOM 1186 N LEU A 73 -7.493 -2.251 1.021 1.00 1.43 N ATOM 1187 CA LEU A 73 -7.766 -0.901 0.472 1.00 61.34 C ATOM 1188 C LEU A 73 -6.491 -0.317 -0.179 1.00 64.13 C ATOM 1189 O LEU A 73 -6.554 0.217 -1.286 1.00 13.23 O ATOM 1190 CB LEU A 73 -8.335 0.063 1.571 1.00 25.15 C ATOM 1191 CG LEU A 73 -9.897 0.185 1.653 1.00 75.51 C ATOM 1192 CD1 LEU A 73 -10.585 -1.175 1.877 1.00 54.32 C ATOM 1193 CD2 LEU A 73 -10.309 1.205 2.736 1.00 71.24 C ATOM 0 H LEU A 73 -7.614 -2.317 2.032 1.00 1.43 H new ATOM 0 HA LEU A 73 -8.531 -0.998 -0.298 1.00 61.34 H new ATOM 0 HB2 LEU A 73 -7.967 -0.271 2.541 1.00 25.15 H new ATOM 0 HB3 LEU A 73 -7.923 1.058 1.399 1.00 25.15 H new ATOM 0 HG LEU A 73 -10.241 0.550 0.685 1.00 75.51 H new ATOM 0 HD11 LEU A 73 -11.665 -1.033 1.926 1.00 54.32 H new ATOM 0 HD12 LEU A 73 -10.344 -1.845 1.052 1.00 54.32 H new ATOM 0 HD13 LEU A 73 -10.234 -1.611 2.812 1.00 54.32 H new ATOM 0 HD21 LEU A 73 -11.396 1.274 2.776 1.00 71.24 H new ATOM 0 HD22 LEU A 73 -9.930 0.880 3.705 1.00 71.24 H new ATOM 0 HD23 LEU A 73 -9.892 2.182 2.493 1.00 71.24 H new ATOM 1205 N ILE A 74 -5.338 -0.470 0.514 1.00 53.43 N ATOM 1206 CA ILE A 74 -4.019 -0.051 -0.004 1.00 54.20 C ATOM 1207 C ILE A 74 -3.684 -0.834 -1.294 1.00 41.40 C ATOM 1208 O ILE A 74 -3.276 -0.238 -2.279 1.00 43.22 O ATOM 1209 CB ILE A 74 -2.880 -0.249 1.078 1.00 45.34 C ATOM 1210 CG1 ILE A 74 -3.218 0.556 2.378 1.00 70.15 C ATOM 1211 CG2 ILE A 74 -1.488 0.156 0.527 1.00 52.33 C ATOM 1212 CD1 ILE A 74 -2.270 0.342 3.546 1.00 20.55 C ATOM 0 H ILE A 74 -5.298 -0.886 1.444 1.00 53.43 H new ATOM 0 HA ILE A 74 -4.070 1.013 -0.236 1.00 54.20 H new ATOM 0 HB ILE A 74 -2.836 -1.310 1.324 1.00 45.34 H new ATOM 0 HG12 ILE A 74 -3.231 1.618 2.133 1.00 70.15 H new ATOM 0 HG13 ILE A 74 -4.226 0.290 2.697 1.00 70.15 H new ATOM 0 HG21 ILE A 74 -0.733 0.006 1.299 1.00 52.33 H new ATOM 0 HG22 ILE A 74 -1.247 -0.459 -0.340 1.00 52.33 H new ATOM 0 HG23 ILE A 74 -1.504 1.206 0.235 1.00 52.33 H new ATOM 0 HD11 ILE A 74 -2.595 0.945 4.394 1.00 20.55 H new ATOM 0 HD12 ILE A 74 -2.272 -0.711 3.828 1.00 20.55 H new ATOM 0 HD13 ILE A 74 -1.262 0.638 3.255 1.00 20.55 H new ATOM 1224 N GLU A 75 -3.957 -2.160 -1.281 1.00 33.34 N ATOM 1225 CA GLU A 75 -3.697 -3.066 -2.417 1.00 4.24 C ATOM 1226 C GLU A 75 -4.498 -2.637 -3.667 1.00 22.53 C ATOM 1227 O GLU A 75 -3.941 -2.556 -4.762 1.00 52.01 O ATOM 1228 CB GLU A 75 -4.051 -4.532 -2.041 1.00 51.03 C ATOM 1229 CG GLU A 75 -3.209 -5.152 -0.904 1.00 14.44 C ATOM 1230 CD GLU A 75 -1.717 -5.328 -1.251 1.00 44.54 C ATOM 1231 OE1 GLU A 75 -1.368 -6.362 -1.874 1.00 74.25 O ATOM 1232 OE2 GLU A 75 -0.896 -4.457 -0.883 1.00 34.31 O ATOM 0 H GLU A 75 -4.367 -2.631 -0.475 1.00 33.34 H new ATOM 0 HA GLU A 75 -2.634 -3.006 -2.651 1.00 4.24 H new ATOM 0 HB2 GLU A 75 -5.102 -4.571 -1.753 1.00 51.03 H new ATOM 0 HB3 GLU A 75 -3.941 -5.153 -2.930 1.00 51.03 H new ATOM 0 HG2 GLU A 75 -3.293 -4.522 -0.019 1.00 14.44 H new ATOM 0 HG3 GLU A 75 -3.628 -6.124 -0.644 1.00 14.44 H new ATOM 1239 N GLU A 76 -5.803 -2.345 -3.471 1.00 33.52 N ATOM 1240 CA GLU A 76 -6.713 -1.919 -4.556 1.00 14.52 C ATOM 1241 C GLU A 76 -6.270 -0.582 -5.173 1.00 71.21 C ATOM 1242 O GLU A 76 -6.282 -0.419 -6.395 1.00 33.33 O ATOM 1243 CB GLU A 76 -8.172 -1.784 -4.025 1.00 73.24 C ATOM 1244 CG GLU A 76 -8.826 -3.100 -3.552 1.00 23.13 C ATOM 1245 CD GLU A 76 -9.010 -4.147 -4.665 1.00 22.33 C ATOM 1246 OE1 GLU A 76 -8.097 -4.963 -4.894 1.00 54.45 O ATOM 1247 OE2 GLU A 76 -10.078 -4.163 -5.316 1.00 11.11 O ATOM 0 H GLU A 76 -6.254 -2.398 -2.558 1.00 33.52 H new ATOM 0 HA GLU A 76 -6.675 -2.686 -5.329 1.00 14.52 H new ATOM 0 HB2 GLU A 76 -8.175 -1.077 -3.195 1.00 73.24 H new ATOM 0 HB3 GLU A 76 -8.790 -1.353 -4.813 1.00 73.24 H new ATOM 0 HG2 GLU A 76 -8.215 -3.532 -2.759 1.00 23.13 H new ATOM 0 HG3 GLU A 76 -9.799 -2.873 -3.117 1.00 23.13 H new ATOM 1254 N ARG A 77 -5.872 0.360 -4.302 1.00 30.34 N ATOM 1255 CA ARG A 77 -5.517 1.725 -4.702 1.00 15.44 C ATOM 1256 C ARG A 77 -4.159 1.773 -5.432 1.00 64.44 C ATOM 1257 O ARG A 77 -4.074 2.327 -6.529 1.00 44.03 O ATOM 1258 CB ARG A 77 -5.489 2.640 -3.455 1.00 73.45 C ATOM 1259 CG ARG A 77 -6.861 2.923 -2.802 1.00 15.01 C ATOM 1260 CD ARG A 77 -7.794 3.761 -3.687 1.00 14.20 C ATOM 1261 NE ARG A 77 -9.024 4.134 -2.967 1.00 3.14 N ATOM 1262 CZ ARG A 77 -10.266 4.111 -3.467 1.00 25.23 C ATOM 1263 NH1 ARG A 77 -10.515 3.722 -4.719 1.00 72.14 N ATOM 1264 NH2 ARG A 77 -11.268 4.479 -2.695 1.00 31.33 N ATOM 0 H ARG A 77 -5.788 0.193 -3.299 1.00 30.34 H new ATOM 0 HA ARG A 77 -6.274 2.081 -5.401 1.00 15.44 H new ATOM 0 HB2 ARG A 77 -4.838 2.186 -2.708 1.00 73.45 H new ATOM 0 HB3 ARG A 77 -5.037 3.592 -3.735 1.00 73.45 H new ATOM 0 HG2 ARG A 77 -7.347 1.976 -2.569 1.00 15.01 H new ATOM 0 HG3 ARG A 77 -6.705 3.442 -1.856 1.00 15.01 H new ATOM 0 HD2 ARG A 77 -7.275 4.662 -4.015 1.00 14.20 H new ATOM 0 HD3 ARG A 77 -8.052 3.197 -4.583 1.00 14.20 H new ATOM 0 HE ARG A 77 -8.920 4.438 -1.999 1.00 3.14 H new ATOM 0 HH11 ARG A 77 -9.748 3.431 -5.325 1.00 72.14 H new ATOM 0 HH12 ARG A 77 -11.473 3.716 -5.070 1.00 72.14 H new ATOM 0 HH21 ARG A 77 -11.090 4.775 -1.735 1.00 31.33 H new ATOM 0 HH22 ARG A 77 -12.221 4.468 -3.057 1.00 31.33 H new ATOM 1278 N ILE A 78 -3.097 1.181 -4.819 1.00 2.11 N ATOM 1279 CA ILE A 78 -1.727 1.208 -5.391 1.00 63.03 C ATOM 1280 C ILE A 78 -1.712 0.493 -6.750 1.00 43.23 C ATOM 1281 O ILE A 78 -1.072 0.964 -7.691 1.00 74.42 O ATOM 1282 CB ILE A 78 -0.624 0.609 -4.414 1.00 5.10 C ATOM 1283 CG1 ILE A 78 -0.843 -0.915 -4.147 1.00 24.11 C ATOM 1284 CG2 ILE A 78 -0.588 1.400 -3.080 1.00 54.22 C ATOM 1285 CD1 ILE A 78 0.131 -1.555 -3.162 1.00 12.23 C ATOM 0 H ILE A 78 -3.166 0.682 -3.932 1.00 2.11 H new ATOM 0 HA ILE A 78 -1.460 2.256 -5.530 1.00 63.03 H new ATOM 0 HB ILE A 78 0.341 0.715 -4.910 1.00 5.10 H new ATOM 0 HG12 ILE A 78 -1.857 -1.059 -3.774 1.00 24.11 H new ATOM 0 HG13 ILE A 78 -0.774 -1.446 -5.096 1.00 24.11 H new ATOM 0 HG21 ILE A 78 0.173 0.975 -2.425 1.00 54.22 H new ATOM 0 HG22 ILE A 78 -0.350 2.444 -3.283 1.00 54.22 H new ATOM 0 HG23 ILE A 78 -1.561 1.337 -2.594 1.00 54.22 H new ATOM 0 HD11 ILE A 78 -0.109 -2.612 -3.048 1.00 12.23 H new ATOM 0 HD12 ILE A 78 1.149 -1.452 -3.538 1.00 12.23 H new ATOM 0 HD13 ILE A 78 0.049 -1.059 -2.195 1.00 12.23 H new ATOM 1297 N GLU A 79 -2.507 -0.597 -6.844 1.00 63.35 N ATOM 1298 CA GLU A 79 -2.730 -1.327 -8.093 1.00 74.11 C ATOM 1299 C GLU A 79 -3.354 -0.398 -9.152 1.00 22.12 C ATOM 1300 O GLU A 79 -2.737 -0.137 -10.180 1.00 71.44 O ATOM 1301 CB GLU A 79 -3.656 -2.542 -7.830 1.00 44.34 C ATOM 1302 CG GLU A 79 -4.063 -3.365 -9.071 1.00 11.00 C ATOM 1303 CD GLU A 79 -2.895 -4.090 -9.772 1.00 63.44 C ATOM 1304 OE1 GLU A 79 -2.275 -3.509 -10.685 1.00 53.21 O ATOM 1305 OE2 GLU A 79 -2.636 -5.260 -9.437 1.00 62.43 O ATOM 0 H GLU A 79 -3.009 -0.989 -6.048 1.00 63.35 H new ATOM 0 HA GLU A 79 -1.772 -1.685 -8.471 1.00 74.11 H new ATOM 0 HB2 GLU A 79 -3.158 -3.207 -7.125 1.00 44.34 H new ATOM 0 HB3 GLU A 79 -4.563 -2.183 -7.343 1.00 44.34 H new ATOM 0 HG2 GLU A 79 -4.806 -4.105 -8.773 1.00 11.00 H new ATOM 0 HG3 GLU A 79 -4.545 -2.701 -9.789 1.00 11.00 H new ATOM 1312 N GLU A 80 -4.543 0.150 -8.826 1.00 53.41 N ATOM 1313 CA GLU A 80 -5.375 0.920 -9.768 1.00 22.33 C ATOM 1314 C GLU A 80 -4.617 2.122 -10.357 1.00 12.43 C ATOM 1315 O GLU A 80 -4.542 2.285 -11.580 1.00 54.54 O ATOM 1316 CB GLU A 80 -6.662 1.403 -9.047 1.00 32.23 C ATOM 1317 CG GLU A 80 -7.674 2.165 -9.934 1.00 65.20 C ATOM 1318 CD GLU A 80 -8.279 1.312 -11.061 1.00 5.44 C ATOM 1319 OE1 GLU A 80 -9.162 0.469 -10.772 1.00 32.45 O ATOM 1320 OE2 GLU A 80 -7.887 1.475 -12.236 1.00 34.23 O ATOM 0 H GLU A 80 -4.953 0.069 -7.896 1.00 53.41 H new ATOM 0 HA GLU A 80 -5.638 0.264 -10.598 1.00 22.33 H new ATOM 0 HB2 GLU A 80 -7.163 0.536 -8.616 1.00 32.23 H new ATOM 0 HB3 GLU A 80 -6.373 2.049 -8.218 1.00 32.23 H new ATOM 0 HG2 GLU A 80 -8.480 2.544 -9.306 1.00 65.20 H new ATOM 0 HG3 GLU A 80 -7.178 3.031 -10.373 1.00 65.20 H new ATOM 1327 N GLU A 81 -4.020 2.926 -9.460 1.00 72.35 N ATOM 1328 CA GLU A 81 -3.379 4.195 -9.819 1.00 53.23 C ATOM 1329 C GLU A 81 -2.070 3.976 -10.597 1.00 62.24 C ATOM 1330 O GLU A 81 -1.803 4.684 -11.577 1.00 32.42 O ATOM 1331 CB GLU A 81 -3.113 5.040 -8.554 1.00 74.52 C ATOM 1332 CG GLU A 81 -4.354 5.321 -7.678 1.00 74.42 C ATOM 1333 CD GLU A 81 -5.506 5.988 -8.439 1.00 75.11 C ATOM 1334 OE1 GLU A 81 -5.356 7.152 -8.855 1.00 74.23 O ATOM 1335 OE2 GLU A 81 -6.563 5.354 -8.632 1.00 22.30 O ATOM 0 H GLU A 81 -3.970 2.710 -8.464 1.00 72.35 H new ATOM 0 HA GLU A 81 -4.065 4.734 -10.472 1.00 53.23 H new ATOM 0 HB2 GLU A 81 -2.367 4.529 -7.946 1.00 74.52 H new ATOM 0 HB3 GLU A 81 -2.679 5.993 -8.857 1.00 74.52 H new ATOM 0 HG2 GLU A 81 -4.707 4.382 -7.252 1.00 74.42 H new ATOM 0 HG3 GLU A 81 -4.063 5.960 -6.844 1.00 74.42 H new ATOM 1342 N LEU A 82 -1.258 2.993 -10.157 1.00 2.52 N ATOM 1343 CA LEU A 82 0.039 2.695 -10.800 1.00 25.11 C ATOM 1344 C LEU A 82 -0.197 2.095 -12.206 1.00 50.34 C ATOM 1345 O LEU A 82 0.524 2.408 -13.155 1.00 14.13 O ATOM 1346 CB LEU A 82 0.872 1.728 -9.892 1.00 33.14 C ATOM 1347 CG LEU A 82 2.427 1.915 -9.856 1.00 41.11 C ATOM 1348 CD1 LEU A 82 3.082 0.915 -8.886 1.00 1.44 C ATOM 1349 CD2 LEU A 82 3.065 1.796 -11.246 1.00 13.02 C ATOM 0 H LEU A 82 -1.476 2.393 -9.361 1.00 2.52 H new ATOM 0 HA LEU A 82 0.610 3.616 -10.921 1.00 25.11 H new ATOM 0 HB2 LEU A 82 0.500 1.823 -8.872 1.00 33.14 H new ATOM 0 HB3 LEU A 82 0.665 0.707 -10.213 1.00 33.14 H new ATOM 0 HG LEU A 82 2.608 2.929 -9.498 1.00 41.11 H new ATOM 0 HD11 LEU A 82 4.161 1.067 -8.881 1.00 1.44 H new ATOM 0 HD12 LEU A 82 2.689 1.071 -7.882 1.00 1.44 H new ATOM 0 HD13 LEU A 82 2.860 -0.103 -9.208 1.00 1.44 H new ATOM 0 HD21 LEU A 82 4.143 1.934 -11.164 1.00 13.02 H new ATOM 0 HD22 LEU A 82 2.855 0.809 -11.659 1.00 13.02 H new ATOM 0 HD23 LEU A 82 2.650 2.560 -11.903 1.00 13.02 H new ATOM 1361 N ARG A 83 -1.262 1.278 -12.321 1.00 3.13 N ATOM 1362 CA ARG A 83 -1.565 0.495 -13.537 1.00 21.22 C ATOM 1363 C ARG A 83 -2.038 1.392 -14.703 1.00 53.33 C ATOM 1364 O ARG A 83 -1.998 0.980 -15.870 1.00 32.55 O ATOM 1365 CB ARG A 83 -2.612 -0.608 -13.211 1.00 75.24 C ATOM 1366 CG ARG A 83 -2.597 -1.817 -14.171 1.00 43.43 C ATOM 1367 CD ARG A 83 -3.609 -2.897 -13.769 1.00 71.13 C ATOM 1368 NE ARG A 83 -3.474 -4.124 -14.576 1.00 44.34 N ATOM 1369 CZ ARG A 83 -2.894 -5.265 -14.163 1.00 60.53 C ATOM 1370 NH1 ARG A 83 -2.369 -5.376 -12.934 1.00 42.12 N ATOM 1371 NH2 ARG A 83 -2.836 -6.298 -14.988 1.00 60.13 N ATOM 0 H ARG A 83 -1.939 1.141 -11.571 1.00 3.13 H new ATOM 0 HA ARG A 83 -0.643 0.017 -13.868 1.00 21.22 H new ATOM 0 HB2 ARG A 83 -2.439 -0.965 -12.196 1.00 75.24 H new ATOM 0 HB3 ARG A 83 -3.606 -0.162 -13.226 1.00 75.24 H new ATOM 0 HG2 ARG A 83 -2.816 -1.476 -15.183 1.00 43.43 H new ATOM 0 HG3 ARG A 83 -1.597 -2.250 -14.190 1.00 43.43 H new ATOM 0 HD2 ARG A 83 -3.475 -3.142 -12.715 1.00 71.13 H new ATOM 0 HD3 ARG A 83 -4.619 -2.503 -13.879 1.00 71.13 H new ATOM 0 HE ARG A 83 -3.851 -4.106 -15.524 1.00 44.34 H new ATOM 0 HH11 ARG A 83 -2.405 -4.585 -12.291 1.00 42.12 H new ATOM 0 HH12 ARG A 83 -1.934 -6.251 -12.642 1.00 42.12 H new ATOM 0 HH21 ARG A 83 -3.229 -6.224 -15.926 1.00 60.13 H new ATOM 0 HH22 ARG A 83 -2.398 -7.168 -14.686 1.00 60.13 H new ATOM 1385 N LYS A 84 -2.469 2.627 -14.366 1.00 61.33 N ATOM 1386 CA LYS A 84 -2.826 3.668 -15.358 1.00 13.23 C ATOM 1387 C LYS A 84 -1.610 4.083 -16.218 1.00 4.32 C ATOM 1388 O LYS A 84 -1.780 4.618 -17.316 1.00 10.14 O ATOM 1389 CB LYS A 84 -3.412 4.909 -14.637 1.00 25.32 C ATOM 1390 CG LYS A 84 -4.705 4.625 -13.852 1.00 30.31 C ATOM 1391 CD LYS A 84 -5.188 5.834 -13.025 1.00 74.33 C ATOM 1392 CE LYS A 84 -6.456 5.521 -12.216 1.00 4.24 C ATOM 1393 NZ LYS A 84 -6.883 6.678 -11.384 1.00 32.13 N ATOM 0 H LYS A 84 -2.580 2.932 -13.399 1.00 61.33 H new ATOM 0 HA LYS A 84 -3.576 3.245 -16.026 1.00 13.23 H new ATOM 0 HB2 LYS A 84 -2.663 5.306 -13.952 1.00 25.32 H new ATOM 0 HB3 LYS A 84 -3.611 5.685 -15.376 1.00 25.32 H new ATOM 0 HG2 LYS A 84 -5.490 4.333 -14.550 1.00 30.31 H new ATOM 0 HG3 LYS A 84 -4.540 3.779 -13.185 1.00 30.31 H new ATOM 0 HD2 LYS A 84 -4.395 6.146 -12.346 1.00 74.33 H new ATOM 0 HD3 LYS A 84 -5.384 6.673 -13.693 1.00 74.33 H new ATOM 0 HE2 LYS A 84 -7.262 5.246 -12.896 1.00 4.24 H new ATOM 0 HE3 LYS A 84 -6.273 4.660 -11.574 1.00 4.24 H new ATOM 0 HZ1 LYS A 84 -7.732 6.421 -10.841 1.00 32.13 H new ATOM 0 HZ2 LYS A 84 -6.118 6.936 -10.729 1.00 32.13 H new ATOM 0 HZ3 LYS A 84 -7.099 7.488 -12.000 1.00 32.13 H new ATOM 1407 N ARG A 85 -0.390 3.843 -15.702 1.00 54.43 N ATOM 1408 CA ARG A 85 0.875 4.134 -16.415 1.00 5.03 C ATOM 1409 C ARG A 85 1.670 2.853 -16.688 1.00 25.55 C ATOM 1410 O ARG A 85 2.414 2.769 -17.673 1.00 35.14 O ATOM 1411 CB ARG A 85 1.743 5.120 -15.592 1.00 73.20 C ATOM 1412 CG ARG A 85 1.133 6.522 -15.435 1.00 64.11 C ATOM 1413 CD ARG A 85 2.099 7.523 -14.785 1.00 55.54 C ATOM 1414 NE ARG A 85 1.544 8.887 -14.741 1.00 23.45 N ATOM 1415 CZ ARG A 85 2.276 10.009 -14.613 1.00 30.11 C ATOM 1416 NH1 ARG A 85 3.605 9.946 -14.518 1.00 51.32 N ATOM 1417 NH2 ARG A 85 1.673 11.194 -14.585 1.00 2.43 N ATOM 0 H ARG A 85 -0.250 3.440 -14.775 1.00 54.43 H new ATOM 0 HA ARG A 85 0.617 4.589 -17.372 1.00 5.03 H new ATOM 0 HB2 ARG A 85 1.912 4.697 -14.602 1.00 73.20 H new ATOM 0 HB3 ARG A 85 2.718 5.213 -16.070 1.00 73.20 H new ATOM 0 HG2 ARG A 85 0.836 6.895 -16.415 1.00 64.11 H new ATOM 0 HG3 ARG A 85 0.228 6.454 -14.832 1.00 64.11 H new ATOM 0 HD2 ARG A 85 2.332 7.195 -13.772 1.00 55.54 H new ATOM 0 HD3 ARG A 85 3.037 7.532 -15.340 1.00 55.54 H new ATOM 0 HE ARG A 85 0.532 8.988 -14.813 1.00 23.45 H new ATOM 0 HH11 ARG A 85 4.076 9.041 -14.542 1.00 51.32 H new ATOM 0 HH12 ARG A 85 4.151 10.802 -14.421 1.00 51.32 H new ATOM 0 HH21 ARG A 85 0.657 11.251 -14.660 1.00 2.43 H new ATOM 0 HH22 ARG A 85 2.226 12.046 -14.488 1.00 2.43 H new ATOM 1431 N ASP A 86 1.514 1.858 -15.807 1.00 50.41 N ATOM 1432 CA ASP A 86 2.294 0.612 -15.847 1.00 24.32 C ATOM 1433 C ASP A 86 1.343 -0.596 -15.871 1.00 3.22 C ATOM 1434 O ASP A 86 0.873 -1.025 -14.823 1.00 13.52 O ATOM 1435 CB ASP A 86 3.255 0.506 -14.623 1.00 43.22 C ATOM 1436 CG ASP A 86 4.401 1.533 -14.635 1.00 21.40 C ATOM 1437 OD1 ASP A 86 4.158 2.717 -14.329 1.00 51.02 O ATOM 1438 OD2 ASP A 86 5.545 1.154 -14.955 1.00 32.03 O ATOM 0 H ASP A 86 0.840 1.893 -15.042 1.00 50.41 H new ATOM 0 HA ASP A 86 2.900 0.619 -16.753 1.00 24.32 H new ATOM 0 HB2 ASP A 86 2.676 0.633 -13.708 1.00 43.22 H new ATOM 0 HB3 ASP A 86 3.680 -0.497 -14.594 1.00 43.22 H new ATOM 1443 N PRO A 87 1.050 -1.191 -17.069 1.00 71.01 N ATOM 1444 CA PRO A 87 0.366 -2.516 -17.149 1.00 20.44 C ATOM 1445 C PRO A 87 1.259 -3.648 -16.583 1.00 11.30 C ATOM 1446 O PRO A 87 0.798 -4.772 -16.356 1.00 32.22 O ATOM 1447 CB PRO A 87 0.093 -2.679 -18.666 1.00 41.35 C ATOM 1448 CG PRO A 87 1.126 -1.814 -19.338 1.00 41.54 C ATOM 1449 CD PRO A 87 1.326 -0.629 -18.417 1.00 73.41 C ATOM 0 HA PRO A 87 -0.546 -2.571 -16.554 1.00 20.44 H new ATOM 0 HB2 PRO A 87 0.187 -3.720 -18.975 1.00 41.35 H new ATOM 0 HB3 PRO A 87 -0.917 -2.360 -18.923 1.00 41.35 H new ATOM 0 HG2 PRO A 87 2.059 -2.359 -19.484 1.00 41.54 H new ATOM 0 HG3 PRO A 87 0.787 -1.492 -20.323 1.00 41.54 H new ATOM 0 HD2 PRO A 87 2.339 -0.232 -18.487 1.00 73.41 H new ATOM 0 HD3 PRO A 87 0.646 0.188 -18.659 1.00 73.41 H new ATOM 1457 N ASN A 88 2.551 -3.304 -16.360 1.00 24.11 N ATOM 1458 CA ASN A 88 3.561 -4.169 -15.730 1.00 54.44 C ATOM 1459 C ASN A 88 3.424 -4.186 -14.195 1.00 73.11 C ATOM 1460 O ASN A 88 4.069 -5.017 -13.546 1.00 70.32 O ATOM 1461 CB ASN A 88 4.994 -3.684 -16.124 1.00 40.14 C ATOM 1462 CG ASN A 88 5.378 -3.893 -17.598 1.00 21.12 C ATOM 1463 OD1 ASN A 88 6.554 -4.074 -17.915 1.00 15.02 O ATOM 1464 ND2 ASN A 88 4.417 -3.873 -18.514 1.00 63.21 N ATOM 0 H ASN A 88 2.923 -2.391 -16.623 1.00 24.11 H new ATOM 0 HA ASN A 88 3.399 -5.184 -16.092 1.00 54.44 H new ATOM 0 HB2 ASN A 88 5.077 -2.622 -15.891 1.00 40.14 H new ATOM 0 HB3 ASN A 88 5.720 -4.205 -15.500 1.00 40.14 H new ATOM 0 HD21 ASN A 88 4.648 -4.009 -19.498 1.00 63.21 H new ATOM 0 HD22 ASN A 88 3.448 -3.722 -18.233 1.00 63.21 H new ATOM 1471 N ALA A 89 2.599 -3.270 -13.630 1.00 73.43 N ATOM 1472 CA ALA A 89 2.413 -3.139 -12.173 1.00 31.14 C ATOM 1473 C ALA A 89 1.851 -4.444 -11.566 1.00 71.23 C ATOM 1474 O ALA A 89 0.683 -4.794 -11.770 1.00 11.01 O ATOM 1475 CB ALA A 89 1.515 -1.925 -11.838 1.00 14.41 C ATOM 0 H ALA A 89 2.048 -2.606 -14.174 1.00 73.43 H new ATOM 0 HA ALA A 89 3.389 -2.962 -11.721 1.00 31.14 H new ATOM 0 HB1 ALA A 89 1.393 -1.850 -10.757 1.00 14.41 H new ATOM 0 HB2 ALA A 89 1.980 -1.014 -12.215 1.00 14.41 H new ATOM 0 HB3 ALA A 89 0.539 -2.055 -12.305 1.00 14.41 H new ATOM 1481 N THR A 90 2.735 -5.175 -10.866 1.00 21.12 N ATOM 1482 CA THR A 90 2.449 -6.475 -10.257 1.00 74.11 C ATOM 1483 C THR A 90 2.931 -6.443 -8.803 1.00 71.31 C ATOM 1484 O THR A 90 4.089 -6.093 -8.539 1.00 32.30 O ATOM 1485 CB THR A 90 3.171 -7.618 -11.045 1.00 2.33 C ATOM 1486 OG1 THR A 90 2.821 -7.554 -12.439 1.00 4.01 O ATOM 1487 CG2 THR A 90 2.830 -9.016 -10.503 1.00 33.43 C ATOM 0 H THR A 90 3.694 -4.865 -10.707 1.00 21.12 H new ATOM 0 HA THR A 90 1.377 -6.672 -10.289 1.00 74.11 H new ATOM 0 HB THR A 90 4.242 -7.463 -10.915 1.00 2.33 H new ATOM 0 HG1 THR A 90 3.218 -6.753 -12.840 1.00 4.01 H new ATOM 0 HG21 THR A 90 3.358 -9.771 -11.086 1.00 33.43 H new ATOM 0 HG22 THR A 90 3.135 -9.086 -9.459 1.00 33.43 H new ATOM 0 HG23 THR A 90 1.756 -9.184 -10.580 1.00 33.43 H new ATOM 1495 N ILE A 91 2.046 -6.793 -7.859 1.00 44.01 N ATOM 1496 CA ILE A 91 2.357 -6.733 -6.424 1.00 31.21 C ATOM 1497 C ILE A 91 2.672 -8.148 -5.893 1.00 24.45 C ATOM 1498 O ILE A 91 1.864 -9.080 -6.006 1.00 12.01 O ATOM 1499 CB ILE A 91 1.232 -6.006 -5.567 1.00 71.42 C ATOM 1500 CG1 ILE A 91 -0.158 -6.745 -5.557 1.00 20.31 C ATOM 1501 CG2 ILE A 91 1.063 -4.537 -6.044 1.00 40.31 C ATOM 1502 CD1 ILE A 91 -0.996 -6.645 -6.827 1.00 14.23 C ATOM 0 H ILE A 91 1.103 -7.123 -8.066 1.00 44.01 H new ATOM 0 HA ILE A 91 3.245 -6.112 -6.308 1.00 31.21 H new ATOM 0 HB ILE A 91 1.581 -6.029 -4.535 1.00 71.42 H new ATOM 0 HG12 ILE A 91 0.019 -7.800 -5.348 1.00 20.31 H new ATOM 0 HG13 ILE A 91 -0.747 -6.351 -4.729 1.00 20.31 H new ATOM 0 HG21 ILE A 91 0.290 -4.048 -5.451 1.00 40.31 H new ATOM 0 HG22 ILE A 91 2.006 -4.004 -5.922 1.00 40.31 H new ATOM 0 HG23 ILE A 91 0.774 -4.527 -7.095 1.00 40.31 H new ATOM 0 HD11 ILE A 91 -1.927 -7.195 -6.693 1.00 14.23 H new ATOM 0 HD12 ILE A 91 -1.219 -5.598 -7.034 1.00 14.23 H new ATOM 0 HD13 ILE A 91 -0.441 -7.070 -7.663 1.00 14.23 H new ATOM 1514 N THR A 92 3.893 -8.301 -5.373 1.00 43.44 N ATOM 1515 CA THR A 92 4.399 -9.552 -4.798 1.00 11.14 C ATOM 1516 C THR A 92 4.440 -9.387 -3.269 1.00 71.43 C ATOM 1517 O THR A 92 5.318 -8.707 -2.736 1.00 50.04 O ATOM 1518 CB THR A 92 5.827 -9.856 -5.381 1.00 21.33 C ATOM 1519 OG1 THR A 92 5.755 -9.919 -6.818 1.00 24.24 O ATOM 1520 CG2 THR A 92 6.417 -11.170 -4.843 1.00 54.15 C ATOM 0 H THR A 92 4.573 -7.542 -5.339 1.00 43.44 H new ATOM 0 HA THR A 92 3.752 -10.392 -5.051 1.00 11.14 H new ATOM 0 HB THR A 92 6.486 -9.048 -5.063 1.00 21.33 H new ATOM 0 HG1 THR A 92 6.645 -10.107 -7.182 1.00 24.24 H new ATOM 0 HG21 THR A 92 7.403 -11.331 -5.278 1.00 54.15 H new ATOM 0 HG22 THR A 92 6.504 -11.113 -3.758 1.00 54.15 H new ATOM 0 HG23 THR A 92 5.763 -11.999 -5.111 1.00 54.15 H new ATOM 1528 N ARG A 93 3.482 -10.010 -2.569 1.00 60.04 N ATOM 1529 CA ARG A 93 3.204 -9.700 -1.155 1.00 63.23 C ATOM 1530 C ARG A 93 3.607 -10.873 -0.243 1.00 64.04 C ATOM 1531 O ARG A 93 3.148 -12.006 -0.433 1.00 24.21 O ATOM 1532 CB ARG A 93 1.696 -9.366 -0.997 1.00 44.21 C ATOM 1533 CG ARG A 93 1.305 -8.869 0.402 1.00 52.53 C ATOM 1534 CD ARG A 93 -0.199 -8.608 0.555 1.00 42.43 C ATOM 1535 NE ARG A 93 -0.987 -9.847 0.446 1.00 54.43 N ATOM 1536 CZ ARG A 93 -2.286 -9.904 0.108 1.00 32.21 C ATOM 1537 NH1 ARG A 93 -2.966 -8.789 -0.180 1.00 0.22 N ATOM 1538 NH2 ARG A 93 -2.897 -11.085 0.044 1.00 12.24 N ATOM 0 H ARG A 93 2.882 -10.736 -2.960 1.00 60.04 H new ATOM 0 HA ARG A 93 3.798 -8.837 -0.853 1.00 63.23 H new ATOM 0 HB2 ARG A 93 1.425 -8.606 -1.729 1.00 44.21 H new ATOM 0 HB3 ARG A 93 1.112 -10.256 -1.231 1.00 44.21 H new ATOM 0 HG2 ARG A 93 1.616 -9.607 1.142 1.00 52.53 H new ATOM 0 HG3 ARG A 93 1.850 -7.950 0.619 1.00 52.53 H new ATOM 0 HD2 ARG A 93 -0.390 -8.141 1.521 1.00 42.43 H new ATOM 0 HD3 ARG A 93 -0.524 -7.903 -0.210 1.00 42.43 H new ATOM 0 HE ARG A 93 -0.511 -10.728 0.642 1.00 54.43 H new ATOM 0 HH11 ARG A 93 -2.499 -7.883 -0.144 1.00 0.22 H new ATOM 0 HH12 ARG A 93 -3.952 -8.845 -0.435 1.00 0.22 H new ATOM 0 HH21 ARG A 93 -2.379 -11.939 0.251 1.00 12.24 H new ATOM 0 HH22 ARG A 93 -3.883 -11.136 -0.212 1.00 12.24 H new ATOM 1552 N THR A 94 4.500 -10.591 0.719 1.00 4.31 N ATOM 1553 CA THR A 94 4.914 -11.532 1.765 1.00 3.24 C ATOM 1554 C THR A 94 4.535 -10.959 3.142 1.00 42.42 C ATOM 1555 O THR A 94 4.963 -9.849 3.491 1.00 53.50 O ATOM 1556 CB THR A 94 6.458 -11.771 1.708 1.00 41.40 C ATOM 1557 OG1 THR A 94 6.834 -12.260 0.411 1.00 52.23 O ATOM 1558 CG2 THR A 94 6.927 -12.762 2.787 1.00 12.33 C ATOM 0 H THR A 94 4.962 -9.684 0.790 1.00 4.31 H new ATOM 0 HA THR A 94 4.407 -12.483 1.605 1.00 3.24 H new ATOM 0 HB THR A 94 6.943 -10.813 1.898 1.00 41.40 H new ATOM 0 HG1 THR A 94 7.803 -12.405 0.384 1.00 52.23 H new ATOM 0 HG21 THR A 94 8.006 -12.899 2.711 1.00 12.33 H new ATOM 0 HG22 THR A 94 6.679 -12.370 3.773 1.00 12.33 H new ATOM 0 HG23 THR A 94 6.429 -13.720 2.642 1.00 12.33 H new ATOM 1566 N VAL A 95 3.730 -11.709 3.913 1.00 35.34 N ATOM 1567 CA VAL A 95 3.290 -11.281 5.247 1.00 64.35 C ATOM 1568 C VAL A 95 4.442 -11.452 6.267 1.00 72.54 C ATOM 1569 O VAL A 95 5.109 -12.495 6.307 1.00 31.13 O ATOM 1570 CB VAL A 95 1.990 -12.051 5.704 1.00 32.44 C ATOM 1571 CG1 VAL A 95 2.232 -13.571 5.884 1.00 63.20 C ATOM 1572 CG2 VAL A 95 1.375 -11.414 6.972 1.00 32.44 C ATOM 0 H VAL A 95 3.370 -12.621 3.631 1.00 35.34 H new ATOM 0 HA VAL A 95 3.028 -10.224 5.200 1.00 64.35 H new ATOM 0 HB VAL A 95 1.264 -11.950 4.897 1.00 32.44 H new ATOM 0 HG11 VAL A 95 1.306 -14.052 6.199 1.00 63.20 H new ATOM 0 HG12 VAL A 95 2.561 -14.002 4.938 1.00 63.20 H new ATOM 0 HG13 VAL A 95 2.999 -13.730 6.642 1.00 63.20 H new ATOM 0 HG21 VAL A 95 0.481 -11.968 7.260 1.00 32.44 H new ATOM 0 HG22 VAL A 95 2.101 -11.447 7.785 1.00 32.44 H new ATOM 0 HG23 VAL A 95 1.109 -10.377 6.766 1.00 32.44 H new ATOM 1582 N ARG A 96 4.704 -10.396 7.045 1.00 30.04 N ATOM 1583 CA ARG A 96 5.762 -10.387 8.081 1.00 75.32 C ATOM 1584 C ARG A 96 5.173 -10.533 9.497 1.00 51.14 C ATOM 1585 O ARG A 96 5.918 -10.525 10.484 1.00 50.24 O ATOM 1586 CB ARG A 96 6.612 -9.088 7.959 1.00 70.23 C ATOM 1587 CG ARG A 96 7.497 -9.002 6.689 1.00 45.32 C ATOM 1588 CD ARG A 96 8.444 -10.213 6.542 1.00 11.30 C ATOM 1589 NE ARG A 96 9.188 -10.497 7.789 1.00 4.45 N ATOM 1590 CZ ARG A 96 9.631 -11.709 8.182 1.00 12.32 C ATOM 1591 NH1 ARG A 96 9.433 -12.794 7.429 1.00 61.24 N ATOM 1592 NH2 ARG A 96 10.267 -11.825 9.343 1.00 55.53 N ATOM 0 H ARG A 96 4.191 -9.517 6.980 1.00 30.04 H new ATOM 0 HA ARG A 96 6.409 -11.248 7.915 1.00 75.32 H new ATOM 0 HB2 ARG A 96 5.941 -8.229 7.975 1.00 70.23 H new ATOM 0 HB3 ARG A 96 7.253 -9.007 8.837 1.00 70.23 H new ATOM 0 HG2 ARG A 96 6.857 -8.937 5.809 1.00 45.32 H new ATOM 0 HG3 ARG A 96 8.087 -8.086 6.723 1.00 45.32 H new ATOM 0 HD2 ARG A 96 7.865 -11.092 6.258 1.00 11.30 H new ATOM 0 HD3 ARG A 96 9.151 -10.023 5.735 1.00 11.30 H new ATOM 0 HE ARG A 96 9.383 -9.708 8.405 1.00 4.45 H new ATOM 0 HH11 ARG A 96 8.939 -12.715 6.540 1.00 61.24 H new ATOM 0 HH12 ARG A 96 9.775 -13.702 7.743 1.00 61.24 H new ATOM 0 HH21 ARG A 96 10.416 -11.002 9.927 1.00 55.53 H new ATOM 0 HH22 ARG A 96 10.606 -12.737 9.650 1.00 55.53 H new ATOM 1606 N THR A 97 3.836 -10.661 9.576 1.00 34.35 N ATOM 1607 CA THR A 97 3.101 -10.922 10.826 1.00 33.41 C ATOM 1608 C THR A 97 3.401 -12.348 11.341 1.00 2.54 C ATOM 1609 O THR A 97 3.598 -13.274 10.542 1.00 5.14 O ATOM 1610 CB THR A 97 1.570 -10.740 10.578 1.00 2.23 C ATOM 1611 OG1 THR A 97 1.354 -9.460 9.971 1.00 3.35 O ATOM 1612 CG2 THR A 97 0.721 -10.832 11.862 1.00 14.02 C ATOM 0 H THR A 97 3.227 -10.585 8.761 1.00 34.35 H new ATOM 0 HA THR A 97 3.425 -10.212 11.587 1.00 33.41 H new ATOM 0 HB THR A 97 1.252 -11.557 9.931 1.00 2.23 H new ATOM 0 HG1 THR A 97 1.538 -9.518 9.010 1.00 3.35 H new ATOM 0 HG21 THR A 97 -0.331 -10.696 11.613 1.00 14.02 H new ATOM 0 HG22 THR A 97 0.862 -11.810 12.322 1.00 14.02 H new ATOM 0 HG23 THR A 97 1.032 -10.055 12.560 1.00 14.02 H new