USER MOD reduce.3.24.130724 H: found=0, std=0, add=762, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 759 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 40 THR OG1 : rot 82:sc= 1.19 USER MOD Set 1.2: A 67 THR OG1 : rot -5:sc= 0.197 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= 0 (180deg=-0.0269) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -127:sc= 0.655 (180deg=-1.19!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.179 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 174:sc= 1.09 (180deg=1.05) USER MOD Single : A 17 SER OG : rot 56:sc= 1.21 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 157:sc= 0.61 USER MOD Single : A 37 THR OG1 : rot -69:sc= 0.233 USER MOD Single : A 38 ASN : amide:sc= 0.665 K(o=0.67,f=-0.24) USER MOD Single : A 41 CYS SG : rot 180:sc= -0.275 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 172:sc= -0.0148 (180deg=-0.0234) USER MOD Single : A 51 THR OG1 : rot 170:sc= -0.0746 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.00316 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0202) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 CYS SG : rot -1:sc= -2.28 USER MOD Single : A 77 LYS NZ :NH3+ -139:sc= 0.916 (180deg=0.185) USER MOD Single : A 84 LYS NZ :NH3+ 139:sc= 0.474 (180deg=0.116) USER MOD Single : A 85 HIS : no HD1:sc= -0.372 K(o=-0.37,f=-3.9!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc=-0.00667 K(o=-0.0067,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.146 14.288 -1.649 1.00 0.00 N ATOM 2 CA MET A 1 -0.978 14.748 -2.778 1.00 0.00 C ATOM 3 C MET A 1 -2.009 13.671 -3.152 1.00 0.00 C ATOM 4 O MET A 1 -1.964 13.107 -4.249 1.00 0.00 O ATOM 5 CB MET A 1 -0.118 15.210 -3.965 1.00 0.00 C ATOM 6 CG MET A 1 0.503 16.592 -3.713 1.00 0.00 C ATOM 7 SD MET A 1 -0.664 17.979 -3.653 1.00 0.00 S ATOM 8 CE MET A 1 -0.562 18.454 -1.908 1.00 0.00 C ATOM 0 H1 MET A 1 0.441 15.076 -1.307 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.760 13.953 -0.879 1.00 0.00 H new ATOM 0 H3 MET A 1 0.468 13.511 -1.965 1.00 0.00 H new ATOM 0 HA MET A 1 -1.539 15.630 -2.467 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.674 14.483 -4.146 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.730 15.245 -4.866 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.048 16.559 -2.770 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.234 16.790 -4.497 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.227 19.297 -1.721 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.859 17.611 -1.284 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.462 18.740 -1.668 1.00 0.00 H new ATOM 18 N GLU A 2 -2.970 13.414 -2.249 1.00 0.00 N ATOM 19 CA GLU A 2 -3.979 12.358 -2.356 1.00 0.00 C ATOM 20 C GLU A 2 -3.295 10.997 -2.547 1.00 0.00 C ATOM 21 O GLU A 2 -2.125 10.842 -2.187 1.00 0.00 O ATOM 22 CB GLU A 2 -5.051 12.780 -3.378 1.00 0.00 C ATOM 23 CG GLU A 2 -6.435 12.153 -3.154 1.00 0.00 C ATOM 24 CD GLU A 2 -7.528 12.751 -4.054 1.00 0.00 C ATOM 25 OE1 GLU A 2 -7.655 13.993 -4.137 1.00 0.00 O ATOM 26 OE2 GLU A 2 -8.279 11.959 -4.678 1.00 0.00 O ATOM 0 H GLU A 2 -3.065 13.960 -1.393 1.00 0.00 H new ATOM 0 HA GLU A 2 -4.544 12.218 -1.434 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -5.151 13.865 -3.352 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -4.705 12.515 -4.377 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.373 11.080 -3.334 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -6.721 12.285 -2.111 1.00 0.00 H new ATOM 33 N VAL A 3 -4.029 9.969 -2.965 1.00 0.00 N ATOM 34 CA VAL A 3 -3.422 8.678 -3.234 1.00 0.00 C ATOM 35 C VAL A 3 -2.572 8.811 -4.495 1.00 0.00 C ATOM 36 O VAL A 3 -2.961 9.495 -5.445 1.00 0.00 O ATOM 37 CB VAL A 3 -4.489 7.570 -3.281 1.00 0.00 C ATOM 38 CG1 VAL A 3 -5.660 7.883 -4.209 1.00 0.00 C ATOM 39 CG2 VAL A 3 -3.908 6.178 -3.592 1.00 0.00 C ATOM 0 H VAL A 3 -5.036 10.008 -3.122 1.00 0.00 H new ATOM 0 HA VAL A 3 -2.756 8.370 -2.428 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.884 7.542 -2.266 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.371 7.057 -4.190 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.155 8.795 -3.875 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.292 8.021 -5.226 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.713 5.443 -3.610 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.414 6.199 -4.563 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.185 5.905 -2.823 1.00 0.00 H new ATOM 49 N LYS A 4 -1.421 8.149 -4.519 1.00 0.00 N ATOM 50 CA LYS A 4 -0.557 8.012 -5.669 1.00 0.00 C ATOM 51 C LYS A 4 -0.139 6.557 -5.771 1.00 0.00 C ATOM 52 O LYS A 4 -0.019 5.882 -4.749 1.00 0.00 O ATOM 53 CB LYS A 4 0.677 8.918 -5.499 1.00 0.00 C ATOM 54 CG LYS A 4 0.916 9.709 -6.786 1.00 0.00 C ATOM 55 CD LYS A 4 0.017 10.953 -6.836 1.00 0.00 C ATOM 56 CE LYS A 4 -0.383 11.292 -8.274 1.00 0.00 C ATOM 57 NZ LYS A 4 -1.161 12.543 -8.324 1.00 0.00 N ATOM 0 H LYS A 4 -1.054 7.673 -3.695 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.076 8.311 -6.579 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.526 9.601 -4.663 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.554 8.315 -5.263 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.962 10.008 -6.845 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.716 9.075 -7.650 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -0.878 10.782 -6.238 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.540 11.800 -6.392 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.511 11.390 -8.890 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -0.972 10.476 -8.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -1.420 12.751 -9.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -2.024 12.438 -7.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -0.588 13.324 -7.944 1.00 0.00 H new ATOM 71 N ILE A 5 0.144 6.120 -6.992 1.00 0.00 N ATOM 72 CA ILE A 5 0.830 4.879 -7.308 1.00 0.00 C ATOM 73 C ILE A 5 1.910 5.265 -8.315 1.00 0.00 C ATOM 74 O ILE A 5 1.620 6.006 -9.265 1.00 0.00 O ATOM 75 CB ILE A 5 -0.143 3.826 -7.894 1.00 0.00 C ATOM 76 CG1 ILE A 5 -1.225 3.410 -6.873 1.00 0.00 C ATOM 77 CG2 ILE A 5 0.654 2.590 -8.361 1.00 0.00 C ATOM 78 CD1 ILE A 5 -2.377 2.619 -7.503 1.00 0.00 C ATOM 0 H ILE A 5 -0.112 6.648 -7.826 1.00 0.00 H new ATOM 0 HA ILE A 5 1.256 4.416 -6.418 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.656 4.276 -8.744 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.764 2.807 -6.090 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.626 4.303 -6.393 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -0.031 1.850 -8.773 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.371 2.887 -9.127 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.187 2.159 -7.513 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.103 2.357 -6.733 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.862 3.228 -8.266 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.987 1.709 -7.958 1.00 0.00 H new ATOM 90 N GLU A 6 3.119 4.732 -8.164 1.00 0.00 N ATOM 91 CA GLU A 6 4.093 4.688 -9.246 1.00 0.00 C ATOM 92 C GLU A 6 4.860 3.378 -9.234 1.00 0.00 C ATOM 93 O GLU A 6 4.723 2.580 -8.304 1.00 0.00 O ATOM 94 CB GLU A 6 5.007 5.923 -9.254 1.00 0.00 C ATOM 95 CG GLU A 6 5.845 6.121 -7.988 1.00 0.00 C ATOM 96 CD GLU A 6 6.867 7.267 -8.100 1.00 0.00 C ATOM 97 OE1 GLU A 6 6.893 8.005 -9.115 1.00 0.00 O ATOM 98 OE2 GLU A 6 7.667 7.444 -7.151 1.00 0.00 O ATOM 0 H GLU A 6 3.449 4.320 -7.291 1.00 0.00 H new ATOM 0 HA GLU A 6 3.547 4.725 -10.189 1.00 0.00 H new ATOM 0 HB2 GLU A 6 5.680 5.852 -10.109 1.00 0.00 H new ATOM 0 HB3 GLU A 6 4.392 6.810 -9.406 1.00 0.00 H new ATOM 0 HG2 GLU A 6 5.179 6.320 -7.148 1.00 0.00 H new ATOM 0 HG3 GLU A 6 6.373 5.195 -7.763 1.00 0.00 H new ATOM 105 N LYS A 7 5.677 3.160 -10.271 1.00 0.00 N ATOM 106 CA LYS A 7 6.612 2.046 -10.320 1.00 0.00 C ATOM 107 C LYS A 7 8.021 2.650 -10.248 1.00 0.00 C ATOM 108 O LYS A 7 8.548 3.018 -11.299 1.00 0.00 O ATOM 109 CB LYS A 7 6.364 1.084 -11.492 1.00 0.00 C ATOM 110 CG LYS A 7 4.933 0.983 -12.013 1.00 0.00 C ATOM 111 CD LYS A 7 4.008 0.369 -10.973 1.00 0.00 C ATOM 112 CE LYS A 7 2.532 0.737 -11.208 1.00 0.00 C ATOM 113 NZ LYS A 7 1.714 -0.409 -11.667 1.00 0.00 N ATOM 0 H LYS A 7 5.703 3.756 -11.098 1.00 0.00 H new ATOM 0 HA LYS A 7 6.469 1.381 -9.468 1.00 0.00 H new ATOM 0 HB2 LYS A 7 7.006 1.386 -12.320 1.00 0.00 H new ATOM 0 HB3 LYS A 7 6.685 0.088 -11.187 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.572 1.975 -12.284 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.916 0.379 -12.920 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.116 -0.715 -10.990 1.00 0.00 H new ATOM 0 HD3 LYS A 7 4.309 0.704 -9.980 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.110 1.130 -10.283 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.476 1.535 -11.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.210 -0.149 -12.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.332 -1.224 -11.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.024 -0.661 -10.930 1.00 0.00 H new ATOM 127 N PRO A 8 8.543 2.924 -9.039 1.00 0.00 N ATOM 128 CA PRO A 8 9.770 3.694 -8.836 1.00 0.00 C ATOM 129 C PRO A 8 11.024 2.876 -9.150 1.00 0.00 C ATOM 130 O PRO A 8 10.949 1.680 -9.447 1.00 0.00 O ATOM 131 CB PRO A 8 9.738 4.133 -7.369 1.00 0.00 C ATOM 132 CG PRO A 8 8.871 3.086 -6.686 1.00 0.00 C ATOM 133 CD PRO A 8 7.925 2.595 -7.765 1.00 0.00 C ATOM 0 HA PRO A 8 9.814 4.548 -9.512 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.740 4.162 -6.940 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.316 5.132 -7.261 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.476 2.270 -6.290 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.324 3.514 -5.846 1.00 0.00 H new ATOM 0 HD2 PRO A 8 7.763 1.521 -7.679 1.00 0.00 H new ATOM 0 HD3 PRO A 8 6.950 3.073 -7.672 1.00 0.00 H new ATOM 141 N THR A 9 12.192 3.518 -9.062 1.00 0.00 N ATOM 142 CA THR A 9 13.479 2.832 -9.128 1.00 0.00 C ATOM 143 C THR A 9 13.640 1.958 -7.872 1.00 0.00 C ATOM 144 O THR A 9 13.262 2.385 -6.774 1.00 0.00 O ATOM 145 CB THR A 9 14.634 3.845 -9.307 1.00 0.00 C ATOM 146 OG1 THR A 9 15.889 3.323 -8.921 1.00 0.00 O ATOM 147 CG2 THR A 9 14.425 5.149 -8.534 1.00 0.00 C ATOM 0 H THR A 9 12.269 4.528 -8.943 1.00 0.00 H new ATOM 0 HA THR A 9 13.514 2.180 -10.001 1.00 0.00 H new ATOM 0 HB THR A 9 14.628 4.051 -10.377 1.00 0.00 H new ATOM 0 HG1 THR A 9 16.582 4.003 -9.056 1.00 0.00 H new ATOM 0 HG21 THR A 9 15.272 5.813 -8.705 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.510 5.633 -8.877 1.00 0.00 H new ATOM 0 HG23 THR A 9 14.343 4.932 -7.469 1.00 0.00 H new ATOM 155 N PRO A 10 14.272 0.777 -7.991 1.00 0.00 N ATOM 156 CA PRO A 10 14.617 -0.053 -6.846 1.00 0.00 C ATOM 157 C PRO A 10 15.737 0.568 -6.008 1.00 0.00 C ATOM 158 O PRO A 10 15.826 0.262 -4.821 1.00 0.00 O ATOM 159 CB PRO A 10 15.043 -1.398 -7.444 1.00 0.00 C ATOM 160 CG PRO A 10 15.615 -1.009 -8.806 1.00 0.00 C ATOM 161 CD PRO A 10 14.727 0.156 -9.229 1.00 0.00 C ATOM 0 HA PRO A 10 13.776 -0.160 -6.161 1.00 0.00 H new ATOM 0 HB2 PRO A 10 15.786 -1.897 -6.823 1.00 0.00 H new ATOM 0 HB3 PRO A 10 14.199 -2.081 -7.542 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.662 -0.714 -8.735 1.00 0.00 H new ATOM 0 HG3 PRO A 10 15.564 -1.834 -9.516 1.00 0.00 H new ATOM 0 HD2 PRO A 10 15.280 0.867 -9.843 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.883 -0.191 -9.825 1.00 0.00 H new ATOM 169 N GLU A 11 16.593 1.412 -6.584 1.00 0.00 N ATOM 170 CA GLU A 11 17.778 1.905 -5.895 1.00 0.00 C ATOM 171 C GLU A 11 17.392 2.961 -4.865 1.00 0.00 C ATOM 172 O GLU A 11 17.803 2.852 -3.714 1.00 0.00 O ATOM 173 CB GLU A 11 18.792 2.424 -6.919 1.00 0.00 C ATOM 174 CG GLU A 11 19.504 1.281 -7.632 1.00 0.00 C ATOM 175 CD GLU A 11 20.331 0.427 -6.665 1.00 0.00 C ATOM 176 OE1 GLU A 11 21.432 0.883 -6.277 1.00 0.00 O ATOM 177 OE2 GLU A 11 19.886 -0.677 -6.273 1.00 0.00 O ATOM 0 H GLU A 11 16.483 1.769 -7.533 1.00 0.00 H new ATOM 0 HA GLU A 11 18.253 1.091 -5.348 1.00 0.00 H new ATOM 0 HB2 GLU A 11 18.282 3.049 -7.652 1.00 0.00 H new ATOM 0 HB3 GLU A 11 19.526 3.054 -6.418 1.00 0.00 H new ATOM 0 HG2 GLU A 11 18.768 0.652 -8.133 1.00 0.00 H new ATOM 0 HG3 GLU A 11 20.156 1.687 -8.406 1.00 0.00 H new ATOM 184 N LYS A 12 16.521 3.917 -5.213 1.00 0.00 N ATOM 185 CA LYS A 12 16.015 4.893 -4.242 1.00 0.00 C ATOM 186 C LYS A 12 15.422 4.174 -3.043 1.00 0.00 C ATOM 187 O LYS A 12 15.659 4.551 -1.898 1.00 0.00 O ATOM 188 CB LYS A 12 14.976 5.819 -4.895 1.00 0.00 C ATOM 189 CG LYS A 12 14.436 6.873 -3.911 1.00 0.00 C ATOM 190 CD LYS A 12 13.038 6.605 -3.355 1.00 0.00 C ATOM 191 CE LYS A 12 11.929 6.798 -4.396 1.00 0.00 C ATOM 192 NZ LYS A 12 10.614 7.050 -3.770 1.00 0.00 N ATOM 0 H LYS A 12 16.153 4.034 -6.157 1.00 0.00 H new ATOM 0 HA LYS A 12 16.845 5.511 -3.900 1.00 0.00 H new ATOM 0 HB2 LYS A 12 15.427 6.321 -5.751 1.00 0.00 H new ATOM 0 HB3 LYS A 12 14.148 5.221 -5.275 1.00 0.00 H new ATOM 0 HG2 LYS A 12 15.131 6.952 -3.075 1.00 0.00 H new ATOM 0 HG3 LYS A 12 14.428 7.841 -4.412 1.00 0.00 H new ATOM 0 HD2 LYS A 12 12.995 5.585 -2.972 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.856 7.270 -2.511 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.186 7.634 -5.047 1.00 0.00 H new ATOM 0 HE3 LYS A 12 11.866 5.911 -5.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.895 7.174 -4.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.355 6.242 -3.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.665 7.911 -3.189 1.00 0.00 H new ATOM 206 N LEU A 13 14.643 3.129 -3.312 1.00 0.00 N ATOM 207 CA LEU A 13 13.975 2.371 -2.274 1.00 0.00 C ATOM 208 C LEU A 13 14.968 1.699 -1.315 1.00 0.00 C ATOM 209 O LEU A 13 14.611 1.457 -0.161 1.00 0.00 O ATOM 210 CB LEU A 13 13.102 1.296 -2.918 1.00 0.00 C ATOM 211 CG LEU A 13 11.885 1.823 -3.689 1.00 0.00 C ATOM 212 CD1 LEU A 13 11.316 0.664 -4.495 1.00 0.00 C ATOM 213 CD2 LEU A 13 10.798 2.364 -2.758 1.00 0.00 C ATOM 0 H LEU A 13 14.462 2.790 -4.257 1.00 0.00 H new ATOM 0 HA LEU A 13 13.370 3.068 -1.695 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.718 0.709 -3.599 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.754 0.618 -2.139 1.00 0.00 H new ATOM 0 HG LEU A 13 12.204 2.647 -4.327 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.446 1.004 -5.057 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.074 0.295 -5.186 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.020 -0.138 -3.819 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.958 2.725 -3.351 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.458 1.569 -2.094 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.202 3.184 -2.164 1.00 0.00 H new ATOM 225 N LYS A 14 16.193 1.370 -1.749 1.00 0.00 N ATOM 226 CA LYS A 14 17.241 0.887 -0.855 1.00 0.00 C ATOM 227 C LYS A 14 17.584 1.976 0.141 1.00 0.00 C ATOM 228 O LYS A 14 17.665 1.704 1.340 1.00 0.00 O ATOM 229 CB LYS A 14 18.513 0.536 -1.635 1.00 0.00 C ATOM 230 CG LYS A 14 18.285 -0.502 -2.738 1.00 0.00 C ATOM 231 CD LYS A 14 18.762 -1.871 -2.286 1.00 0.00 C ATOM 232 CE LYS A 14 18.602 -2.920 -3.386 1.00 0.00 C ATOM 233 NZ LYS A 14 19.560 -2.711 -4.486 1.00 0.00 N ATOM 0 H LYS A 14 16.479 1.433 -2.726 1.00 0.00 H new ATOM 0 HA LYS A 14 16.873 -0.006 -0.350 1.00 0.00 H new ATOM 0 HB2 LYS A 14 18.919 1.444 -2.080 1.00 0.00 H new ATOM 0 HB3 LYS A 14 19.263 0.158 -0.940 1.00 0.00 H new ATOM 0 HG2 LYS A 14 17.226 -0.545 -2.992 1.00 0.00 H new ATOM 0 HG3 LYS A 14 18.818 -0.205 -3.641 1.00 0.00 H new ATOM 0 HD2 LYS A 14 19.809 -1.811 -1.990 1.00 0.00 H new ATOM 0 HD3 LYS A 14 18.199 -2.179 -1.405 1.00 0.00 H new ATOM 0 HE2 LYS A 14 18.745 -3.914 -2.963 1.00 0.00 H new ATOM 0 HE3 LYS A 14 17.585 -2.884 -3.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 19.490 -3.498 -5.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 19.342 -1.817 -4.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 20.526 -2.670 -4.102 1.00 0.00 H new ATOM 247 N GLU A 15 17.781 3.192 -0.371 1.00 0.00 N ATOM 248 CA GLU A 15 18.333 4.299 0.395 1.00 0.00 C ATOM 249 C GLU A 15 17.349 4.733 1.468 1.00 0.00 C ATOM 250 O GLU A 15 17.714 4.905 2.631 1.00 0.00 O ATOM 251 CB GLU A 15 18.679 5.510 -0.474 1.00 0.00 C ATOM 252 CG GLU A 15 19.548 5.213 -1.703 1.00 0.00 C ATOM 253 CD GLU A 15 20.556 6.325 -2.049 1.00 0.00 C ATOM 254 OE1 GLU A 15 20.554 7.417 -1.432 1.00 0.00 O ATOM 255 OE2 GLU A 15 21.402 6.105 -2.948 1.00 0.00 O ATOM 0 H GLU A 15 17.559 3.433 -1.337 1.00 0.00 H new ATOM 0 HA GLU A 15 19.257 3.934 0.843 1.00 0.00 H new ATOM 0 HB2 GLU A 15 17.750 5.972 -0.810 1.00 0.00 H new ATOM 0 HB3 GLU A 15 19.194 6.244 0.145 1.00 0.00 H new ATOM 0 HG2 GLU A 15 20.093 4.285 -1.532 1.00 0.00 H new ATOM 0 HG3 GLU A 15 18.898 5.048 -2.562 1.00 0.00 H new ATOM 262 N LEU A 16 16.068 4.816 1.091 1.00 0.00 N ATOM 263 CA LEU A 16 14.964 5.100 1.999 1.00 0.00 C ATOM 264 C LEU A 16 14.945 4.145 3.196 1.00 0.00 C ATOM 265 O LEU A 16 14.398 4.486 4.247 1.00 0.00 O ATOM 266 CB LEU A 16 13.637 5.001 1.240 1.00 0.00 C ATOM 267 CG LEU A 16 13.366 6.064 0.162 1.00 0.00 C ATOM 268 CD1 LEU A 16 11.888 5.986 -0.216 1.00 0.00 C ATOM 269 CD2 LEU A 16 13.699 7.497 0.562 1.00 0.00 C ATOM 0 H LEU A 16 15.769 4.684 0.125 1.00 0.00 H new ATOM 0 HA LEU A 16 15.103 6.110 2.384 1.00 0.00 H new ATOM 0 HB2 LEU A 16 13.590 4.020 0.767 1.00 0.00 H new ATOM 0 HB3 LEU A 16 12.827 5.043 1.968 1.00 0.00 H new ATOM 0 HG LEU A 16 14.032 5.834 -0.670 1.00 0.00 H new ATOM 0 HD11 LEU A 16 11.668 6.731 -0.981 1.00 0.00 H new ATOM 0 HD12 LEU A 16 11.663 4.992 -0.603 1.00 0.00 H new ATOM 0 HD13 LEU A 16 11.276 6.179 0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.472 8.168 -0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.105 7.780 1.431 1.00 0.00 H new ATOM 0 HD23 LEU A 16 14.758 7.569 0.808 1.00 0.00 H new ATOM 281 N SER A 17 15.602 2.993 3.049 1.00 0.00 N ATOM 282 CA SER A 17 15.870 1.994 4.065 1.00 0.00 C ATOM 283 C SER A 17 14.565 1.299 4.450 1.00 0.00 C ATOM 284 O SER A 17 14.274 1.096 5.624 1.00 0.00 O ATOM 285 CB SER A 17 16.689 2.607 5.212 1.00 0.00 C ATOM 286 OG SER A 17 17.887 3.221 4.739 1.00 0.00 O ATOM 0 H SER A 17 15.987 2.721 2.144 1.00 0.00 H new ATOM 0 HA SER A 17 16.509 1.195 3.689 1.00 0.00 H new ATOM 0 HB2 SER A 17 16.084 3.347 5.736 1.00 0.00 H new ATOM 0 HB3 SER A 17 16.939 1.831 5.935 1.00 0.00 H new ATOM 0 HG SER A 17 17.664 3.895 4.063 1.00 0.00 H new ATOM 292 N VAL A 18 13.791 0.929 3.425 1.00 0.00 N ATOM 293 CA VAL A 18 12.461 0.334 3.522 1.00 0.00 C ATOM 294 C VAL A 18 12.458 -0.929 4.394 1.00 0.00 C ATOM 295 O VAL A 18 11.496 -1.166 5.110 1.00 0.00 O ATOM 296 CB VAL A 18 11.928 0.102 2.089 1.00 0.00 C ATOM 297 CG1 VAL A 18 10.598 -0.651 2.021 1.00 0.00 C ATOM 298 CG2 VAL A 18 11.724 1.447 1.371 1.00 0.00 C ATOM 0 H VAL A 18 14.094 1.044 2.458 1.00 0.00 H new ATOM 0 HA VAL A 18 11.781 1.015 4.034 1.00 0.00 H new ATOM 0 HB VAL A 18 12.688 -0.514 1.608 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.300 -0.769 0.979 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.712 -1.633 2.479 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.833 -0.088 2.556 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.349 1.268 0.363 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.004 2.050 1.925 1.00 0.00 H new ATOM 0 HG23 VAL A 18 12.675 1.978 1.315 1.00 0.00 H new ATOM 308 N GLU A 19 13.532 -1.716 4.418 1.00 0.00 N ATOM 309 CA GLU A 19 13.633 -2.890 5.290 1.00 0.00 C ATOM 310 C GLU A 19 13.657 -2.539 6.787 1.00 0.00 C ATOM 311 O GLU A 19 13.340 -3.396 7.617 1.00 0.00 O ATOM 312 CB GLU A 19 14.881 -3.699 4.924 1.00 0.00 C ATOM 313 CG GLU A 19 16.152 -2.838 4.894 1.00 0.00 C ATOM 314 CD GLU A 19 17.389 -3.699 4.693 1.00 0.00 C ATOM 315 OE1 GLU A 19 17.513 -4.304 3.600 1.00 0.00 O ATOM 316 OE2 GLU A 19 18.254 -3.705 5.597 1.00 0.00 O ATOM 0 H GLU A 19 14.355 -1.561 3.836 1.00 0.00 H new ATOM 0 HA GLU A 19 12.733 -3.482 5.125 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.010 -4.507 5.644 1.00 0.00 H new ATOM 0 HB3 GLU A 19 14.737 -4.162 3.948 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.080 -2.105 4.090 1.00 0.00 H new ATOM 0 HG3 GLU A 19 16.240 -2.281 5.827 1.00 0.00 H new ATOM 323 N LYS A 20 14.029 -1.300 7.144 1.00 0.00 N ATOM 324 CA LYS A 20 13.997 -0.799 8.521 1.00 0.00 C ATOM 325 C LYS A 20 12.585 -0.411 8.926 1.00 0.00 C ATOM 326 O LYS A 20 12.336 -0.191 10.113 1.00 0.00 O ATOM 327 CB LYS A 20 14.950 0.394 8.732 1.00 0.00 C ATOM 328 CG LYS A 20 16.353 0.054 8.227 1.00 0.00 C ATOM 329 CD LYS A 20 17.441 1.048 8.654 1.00 0.00 C ATOM 330 CE LYS A 20 18.788 0.376 8.362 1.00 0.00 C ATOM 331 NZ LYS A 20 19.934 1.304 8.343 1.00 0.00 N ATOM 0 H LYS A 20 14.365 -0.610 6.472 1.00 0.00 H new ATOM 0 HA LYS A 20 14.340 -1.615 9.157 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.569 1.269 8.205 1.00 0.00 H new ATOM 0 HB3 LYS A 20 14.991 0.652 9.790 1.00 0.00 H new ATOM 0 HG2 LYS A 20 16.624 -0.939 8.586 1.00 0.00 H new ATOM 0 HG3 LYS A 20 16.331 0.004 7.138 1.00 0.00 H new ATOM 0 HD2 LYS A 20 17.348 1.984 8.104 1.00 0.00 H new ATOM 0 HD3 LYS A 20 17.350 1.290 9.713 1.00 0.00 H new ATOM 0 HE2 LYS A 20 18.969 -0.392 9.114 1.00 0.00 H new ATOM 0 HE3 LYS A 20 18.728 -0.130 7.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 20.806 0.775 8.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 19.786 2.023 7.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 20.019 1.769 9.269 1.00 0.00 H new ATOM 345 N TRP A 21 11.688 -0.275 7.952 1.00 0.00 N ATOM 346 CA TRP A 21 10.293 0.015 8.192 1.00 0.00 C ATOM 347 C TRP A 21 9.653 -1.295 8.687 1.00 0.00 C ATOM 348 O TRP A 21 10.206 -2.372 8.440 1.00 0.00 O ATOM 349 CB TRP A 21 9.639 0.533 6.900 1.00 0.00 C ATOM 350 CG TRP A 21 10.293 1.691 6.190 1.00 0.00 C ATOM 351 CD1 TRP A 21 11.421 2.335 6.575 1.00 0.00 C ATOM 352 CD2 TRP A 21 9.827 2.405 4.998 1.00 0.00 C ATOM 353 NE1 TRP A 21 11.633 3.418 5.763 1.00 0.00 N ATOM 354 CE2 TRP A 21 10.700 3.506 4.760 1.00 0.00 C ATOM 355 CE3 TRP A 21 8.735 2.260 4.113 1.00 0.00 C ATOM 356 CZ2 TRP A 21 10.499 4.423 3.721 1.00 0.00 C ATOM 357 CZ3 TRP A 21 8.495 3.195 3.087 1.00 0.00 C ATOM 358 CH2 TRP A 21 9.363 4.289 2.907 1.00 0.00 C ATOM 0 H TRP A 21 11.922 -0.366 6.963 1.00 0.00 H new ATOM 0 HA TRP A 21 10.157 0.796 8.940 1.00 0.00 H new ATOM 0 HB2 TRP A 21 9.581 -0.299 6.198 1.00 0.00 H new ATOM 0 HB3 TRP A 21 8.615 0.822 7.137 1.00 0.00 H new ATOM 0 HD1 TRP A 21 12.056 2.040 7.397 1.00 0.00 H new ATOM 0 HE1 TRP A 21 12.396 4.083 5.889 1.00 0.00 H new ATOM 0 HE3 TRP A 21 8.071 1.416 4.225 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 11.207 5.221 3.549 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 7.642 3.072 2.436 1.00 0.00 H new ATOM 0 HH2 TRP A 21 9.155 5.024 2.144 1.00 0.00 H new ATOM 369 N PRO A 22 8.499 -1.256 9.360 1.00 0.00 N ATOM 370 CA PRO A 22 7.809 -2.474 9.760 1.00 0.00 C ATOM 371 C PRO A 22 7.322 -3.282 8.541 1.00 0.00 C ATOM 372 O PRO A 22 6.805 -2.733 7.557 1.00 0.00 O ATOM 373 CB PRO A 22 6.677 -1.999 10.676 1.00 0.00 C ATOM 374 CG PRO A 22 6.435 -0.548 10.268 1.00 0.00 C ATOM 375 CD PRO A 22 7.833 -0.076 9.886 1.00 0.00 C ATOM 0 HA PRO A 22 8.461 -3.172 10.285 1.00 0.00 H new ATOM 0 HB2 PRO A 22 5.780 -2.603 10.543 1.00 0.00 H new ATOM 0 HB3 PRO A 22 6.959 -2.074 11.726 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.739 -0.472 9.433 1.00 0.00 H new ATOM 0 HG3 PRO A 22 6.018 0.039 11.086 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.791 0.718 9.141 1.00 0.00 H new ATOM 0 HD3 PRO A 22 8.364 0.325 10.750 1.00 0.00 H new ATOM 383 N ILE A 23 7.468 -4.610 8.616 1.00 0.00 N ATOM 384 CA ILE A 23 6.762 -5.546 7.747 1.00 0.00 C ATOM 385 C ILE A 23 5.334 -5.621 8.263 1.00 0.00 C ATOM 386 O ILE A 23 5.080 -5.565 9.469 1.00 0.00 O ATOM 387 CB ILE A 23 7.440 -6.948 7.730 1.00 0.00 C ATOM 388 CG1 ILE A 23 8.769 -6.851 6.949 1.00 0.00 C ATOM 389 CG2 ILE A 23 6.551 -8.065 7.123 1.00 0.00 C ATOM 390 CD1 ILE A 23 9.593 -8.141 6.897 1.00 0.00 C ATOM 0 H ILE A 23 8.086 -5.064 9.289 1.00 0.00 H new ATOM 0 HA ILE A 23 6.785 -5.201 6.713 1.00 0.00 H new ATOM 0 HB ILE A 23 7.613 -7.233 8.768 1.00 0.00 H new ATOM 0 HG12 ILE A 23 8.549 -6.538 5.928 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.379 -6.067 7.398 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.091 -9.012 7.145 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.634 -8.156 7.705 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.303 -7.813 6.092 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.505 -7.967 6.326 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.852 -8.449 7.910 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.009 -8.927 6.417 1.00 0.00 H new ATOM 402 N TRP A 24 4.409 -5.829 7.332 1.00 0.00 N ATOM 403 CA TRP A 24 3.057 -6.254 7.616 1.00 0.00 C ATOM 404 C TRP A 24 2.621 -7.124 6.438 1.00 0.00 C ATOM 405 O TRP A 24 3.060 -6.915 5.299 1.00 0.00 O ATOM 406 CB TRP A 24 2.224 -4.984 7.800 1.00 0.00 C ATOM 407 CG TRP A 24 0.762 -5.109 8.058 1.00 0.00 C ATOM 408 CD1 TRP A 24 0.142 -4.858 9.230 1.00 0.00 C ATOM 409 CD2 TRP A 24 -0.295 -5.356 7.098 1.00 0.00 C ATOM 410 NE1 TRP A 24 -1.226 -4.906 9.061 1.00 0.00 N ATOM 411 CE2 TRP A 24 -1.547 -5.174 7.749 1.00 0.00 C ATOM 412 CE3 TRP A 24 -0.312 -5.709 5.738 1.00 0.00 C ATOM 413 CZ2 TRP A 24 -2.754 -5.270 7.053 1.00 0.00 C ATOM 414 CZ3 TRP A 24 -1.514 -5.792 5.029 1.00 0.00 C ATOM 415 CH2 TRP A 24 -2.721 -5.516 5.677 1.00 0.00 C ATOM 0 H TRP A 24 4.591 -5.702 6.336 1.00 0.00 H new ATOM 0 HA TRP A 24 2.944 -6.848 8.523 1.00 0.00 H new ATOM 0 HB2 TRP A 24 2.657 -4.424 8.628 1.00 0.00 H new ATOM 0 HB3 TRP A 24 2.349 -4.376 6.904 1.00 0.00 H new ATOM 0 HD1 TRP A 24 0.644 -4.650 10.164 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -1.907 -4.763 9.806 1.00 0.00 H new ATOM 0 HE3 TRP A 24 0.619 -5.920 5.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -3.696 -5.156 7.568 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -1.510 -6.068 3.985 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -3.639 -5.492 5.108 1.00 0.00 H new ATOM 426 N GLU A 25 1.752 -8.091 6.701 1.00 0.00 N ATOM 427 CA GLU A 25 1.224 -9.069 5.776 1.00 0.00 C ATOM 428 C GLU A 25 -0.296 -9.106 6.006 1.00 0.00 C ATOM 429 O GLU A 25 -0.765 -8.623 7.044 1.00 0.00 O ATOM 430 CB GLU A 25 1.837 -10.450 6.049 1.00 0.00 C ATOM 431 CG GLU A 25 3.198 -10.479 6.762 1.00 0.00 C ATOM 432 CD GLU A 25 3.085 -10.341 8.290 1.00 0.00 C ATOM 433 OE1 GLU A 25 2.020 -9.921 8.809 1.00 0.00 O ATOM 434 OE2 GLU A 25 4.078 -10.652 8.982 1.00 0.00 O ATOM 0 H GLU A 25 1.373 -8.216 7.640 1.00 0.00 H new ATOM 0 HA GLU A 25 1.463 -8.806 4.746 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.129 -11.023 6.647 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.942 -10.969 5.096 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.705 -11.414 6.525 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.820 -9.672 6.376 1.00 0.00 H new ATOM 441 N LYS A 26 -1.091 -9.711 5.118 1.00 0.00 N ATOM 442 CA LYS A 26 -2.472 -10.079 5.450 1.00 0.00 C ATOM 443 C LYS A 26 -2.848 -11.330 4.668 1.00 0.00 C ATOM 444 O LYS A 26 -2.181 -11.683 3.696 1.00 0.00 O ATOM 445 CB LYS A 26 -3.454 -8.915 5.180 1.00 0.00 C ATOM 446 CG LYS A 26 -4.078 -8.309 6.438 1.00 0.00 C ATOM 447 CD LYS A 26 -5.124 -9.143 7.168 1.00 0.00 C ATOM 448 CE LYS A 26 -5.474 -8.401 8.464 1.00 0.00 C ATOM 449 NZ LYS A 26 -5.589 -9.306 9.621 1.00 0.00 N ATOM 0 H LYS A 26 -0.805 -9.955 4.170 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.541 -10.291 6.517 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.928 -8.130 4.636 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.252 -9.273 4.530 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.274 -8.086 7.140 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.535 -7.358 6.164 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.011 -9.275 6.549 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.738 -10.138 7.387 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.709 -7.652 8.668 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.415 -7.867 8.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -5.827 -8.755 10.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.337 -10.006 9.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.684 -9.797 9.769 1.00 0.00 H new ATOM 463 N GLU A 27 -3.929 -11.964 5.112 1.00 0.00 N ATOM 464 CA GLU A 27 -4.471 -13.194 4.556 1.00 0.00 C ATOM 465 C GLU A 27 -5.261 -12.887 3.287 1.00 0.00 C ATOM 466 O GLU A 27 -5.328 -11.742 2.841 1.00 0.00 O ATOM 467 CB GLU A 27 -5.350 -13.876 5.621 1.00 0.00 C ATOM 468 CG GLU A 27 -4.918 -15.307 5.955 1.00 0.00 C ATOM 469 CD GLU A 27 -5.480 -16.293 4.942 1.00 0.00 C ATOM 470 OE1 GLU A 27 -4.884 -16.434 3.853 1.00 0.00 O ATOM 471 OE2 GLU A 27 -6.579 -16.826 5.210 1.00 0.00 O ATOM 0 H GLU A 27 -4.472 -11.618 5.903 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.664 -13.875 4.283 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.330 -13.278 6.532 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.382 -13.890 5.272 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.830 -15.370 5.965 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.262 -15.571 6.955 1.00 0.00 H new ATOM 478 N VAL A 28 -5.930 -13.901 2.761 1.00 0.00 N ATOM 479 CA VAL A 28 -6.773 -13.842 1.565 1.00 0.00 C ATOM 480 C VAL A 28 -8.159 -13.201 1.814 1.00 0.00 C ATOM 481 O VAL A 28 -8.966 -13.027 0.900 1.00 0.00 O ATOM 482 CB VAL A 28 -6.854 -15.275 1.002 1.00 0.00 C ATOM 483 CG1 VAL A 28 -7.726 -16.228 1.829 1.00 0.00 C ATOM 484 CG2 VAL A 28 -7.329 -15.263 -0.443 1.00 0.00 C ATOM 0 H VAL A 28 -5.902 -14.834 3.172 1.00 0.00 H new ATOM 0 HA VAL A 28 -6.325 -13.174 0.829 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.837 -15.663 1.058 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.729 -17.214 1.364 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.324 -16.304 2.839 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.745 -15.844 1.872 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.378 -16.285 -0.818 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.318 -14.809 -0.497 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.631 -14.687 -1.051 1.00 0.00 H new ATOM 494 N SER A 29 -8.464 -12.882 3.068 1.00 0.00 N ATOM 495 CA SER A 29 -9.681 -12.205 3.484 1.00 0.00 C ATOM 496 C SER A 29 -9.658 -10.730 3.062 1.00 0.00 C ATOM 497 O SER A 29 -8.663 -10.219 2.546 1.00 0.00 O ATOM 498 CB SER A 29 -9.799 -12.380 5.002 1.00 0.00 C ATOM 499 OG SER A 29 -10.819 -13.307 5.329 1.00 0.00 O ATOM 0 H SER A 29 -7.845 -13.097 3.849 1.00 0.00 H new ATOM 0 HA SER A 29 -10.557 -12.636 2.999 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.847 -12.724 5.407 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.015 -11.418 5.467 1.00 0.00 H new ATOM 0 HG SER A 29 -10.874 -13.403 6.303 1.00 0.00 H new ATOM 505 N GLU A 30 -10.745 -10.009 3.322 1.00 0.00 N ATOM 506 CA GLU A 30 -10.927 -8.628 2.887 1.00 0.00 C ATOM 507 C GLU A 30 -11.539 -7.816 4.026 1.00 0.00 C ATOM 508 O GLU A 30 -12.165 -8.372 4.934 1.00 0.00 O ATOM 509 CB GLU A 30 -11.790 -8.618 1.615 1.00 0.00 C ATOM 510 CG GLU A 30 -13.233 -9.041 1.905 1.00 0.00 C ATOM 511 CD GLU A 30 -14.001 -9.548 0.692 1.00 0.00 C ATOM 512 OE1 GLU A 30 -13.944 -8.935 -0.401 1.00 0.00 O ATOM 513 OE2 GLU A 30 -14.725 -10.555 0.857 1.00 0.00 O ATOM 0 H GLU A 30 -11.537 -10.375 3.850 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.973 -8.163 2.640 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.784 -7.619 1.180 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.355 -9.290 0.875 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -13.223 -9.822 2.665 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.769 -8.191 2.329 1.00 0.00 H new ATOM 520 N PHE A 31 -11.352 -6.503 3.993 1.00 0.00 N ATOM 521 CA PHE A 31 -11.634 -5.588 5.092 1.00 0.00 C ATOM 522 C PHE A 31 -11.652 -4.156 4.552 1.00 0.00 C ATOM 523 O PHE A 31 -11.780 -3.937 3.350 1.00 0.00 O ATOM 524 CB PHE A 31 -10.604 -5.796 6.221 1.00 0.00 C ATOM 525 CG PHE A 31 -9.147 -5.799 5.803 1.00 0.00 C ATOM 526 CD1 PHE A 31 -8.439 -4.587 5.695 1.00 0.00 C ATOM 527 CD2 PHE A 31 -8.496 -7.018 5.530 1.00 0.00 C ATOM 528 CE1 PHE A 31 -7.111 -4.577 5.246 1.00 0.00 C ATOM 529 CE2 PHE A 31 -7.164 -7.012 5.088 1.00 0.00 C ATOM 530 CZ PHE A 31 -6.496 -5.791 4.903 1.00 0.00 C ATOM 0 H PHE A 31 -10.986 -6.028 3.168 1.00 0.00 H new ATOM 0 HA PHE A 31 -12.614 -5.788 5.525 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -10.746 -5.011 6.964 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -10.822 -6.744 6.713 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -8.922 -3.658 5.960 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.020 -7.953 5.660 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -6.568 -3.647 5.165 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.654 -7.944 4.891 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.497 -5.786 4.492 1.00 0.00 H new ATOM 540 N ASP A 32 -11.575 -3.156 5.423 1.00 0.00 N ATOM 541 CA ASP A 32 -11.283 -1.777 5.067 1.00 0.00 C ATOM 542 C ASP A 32 -10.222 -1.238 6.018 1.00 0.00 C ATOM 543 O ASP A 32 -10.003 -1.806 7.101 1.00 0.00 O ATOM 544 CB ASP A 32 -12.548 -0.932 5.125 1.00 0.00 C ATOM 545 CG ASP A 32 -13.045 -0.648 6.533 1.00 0.00 C ATOM 546 OD1 ASP A 32 -12.548 0.322 7.149 1.00 0.00 O ATOM 547 OD2 ASP A 32 -13.934 -1.402 6.988 1.00 0.00 O ATOM 0 H ASP A 32 -11.718 -3.289 6.424 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.905 -1.732 4.045 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.362 0.016 4.620 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.336 -1.440 4.569 1.00 0.00 H new ATOM 552 N TRP A 33 -9.556 -0.157 5.617 1.00 0.00 N ATOM 553 CA TRP A 33 -8.522 0.497 6.409 1.00 0.00 C ATOM 554 C TRP A 33 -8.718 2.007 6.368 1.00 0.00 C ATOM 555 O TRP A 33 -9.136 2.564 5.344 1.00 0.00 O ATOM 556 CB TRP A 33 -7.142 0.099 5.880 1.00 0.00 C ATOM 557 CG TRP A 33 -5.967 0.568 6.685 1.00 0.00 C ATOM 558 CD1 TRP A 33 -5.215 1.669 6.458 1.00 0.00 C ATOM 559 CD2 TRP A 33 -5.356 -0.078 7.835 1.00 0.00 C ATOM 560 NE1 TRP A 33 -4.111 1.665 7.296 1.00 0.00 N ATOM 561 CE2 TRP A 33 -4.111 0.555 8.105 1.00 0.00 C ATOM 562 CE3 TRP A 33 -5.705 -1.180 8.639 1.00 0.00 C ATOM 563 CZ2 TRP A 33 -3.192 0.031 9.022 1.00 0.00 C ATOM 564 CZ3 TRP A 33 -4.826 -1.669 9.619 1.00 0.00 C ATOM 565 CH2 TRP A 33 -3.552 -1.092 9.784 1.00 0.00 C ATOM 0 H TRP A 33 -9.724 0.295 4.718 1.00 0.00 H new ATOM 0 HA TRP A 33 -8.594 0.176 7.448 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -7.100 -0.988 5.813 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -7.039 0.485 4.866 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -5.441 2.436 5.732 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -3.394 2.390 7.310 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -6.664 -1.657 8.500 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -2.219 0.485 9.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -5.129 -2.492 10.249 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -2.855 -1.512 10.494 1.00 0.00 H new ATOM 576 N TYR A 34 -8.374 2.659 7.474 1.00 0.00 N ATOM 577 CA TYR A 34 -8.520 4.082 7.696 1.00 0.00 C ATOM 578 C TYR A 34 -7.116 4.657 7.851 1.00 0.00 C ATOM 579 O TYR A 34 -6.532 4.626 8.934 1.00 0.00 O ATOM 580 CB TYR A 34 -9.427 4.315 8.914 1.00 0.00 C ATOM 581 CG TYR A 34 -10.105 5.673 8.974 1.00 0.00 C ATOM 582 CD1 TYR A 34 -9.364 6.871 8.915 1.00 0.00 C ATOM 583 CD2 TYR A 34 -11.503 5.728 9.122 1.00 0.00 C ATOM 584 CE1 TYR A 34 -10.012 8.116 9.010 1.00 0.00 C ATOM 585 CE2 TYR A 34 -12.158 6.960 9.267 1.00 0.00 C ATOM 586 CZ TYR A 34 -11.413 8.157 9.208 1.00 0.00 C ATOM 587 OH TYR A 34 -12.079 9.342 9.228 1.00 0.00 O ATOM 0 H TYR A 34 -7.966 2.179 8.276 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.004 4.592 6.864 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.197 3.543 8.925 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.832 4.185 9.818 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.291 6.833 8.796 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -12.077 4.813 9.124 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -9.446 9.032 8.933 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -13.226 6.992 9.423 1.00 0.00 H new ATOM 0 HH TYR A 34 -13.034 9.178 9.374 1.00 0.00 H new ATOM 597 N TYR A 35 -6.553 5.155 6.756 1.00 0.00 N ATOM 598 CA TYR A 35 -5.335 5.942 6.789 1.00 0.00 C ATOM 599 C TYR A 35 -5.657 7.233 7.528 1.00 0.00 C ATOM 600 O TYR A 35 -6.486 8.011 7.052 1.00 0.00 O ATOM 601 CB TYR A 35 -4.834 6.209 5.363 1.00 0.00 C ATOM 602 CG TYR A 35 -4.436 4.932 4.652 1.00 0.00 C ATOM 603 CD1 TYR A 35 -3.330 4.218 5.130 1.00 0.00 C ATOM 604 CD2 TYR A 35 -5.206 4.401 3.600 1.00 0.00 C ATOM 605 CE1 TYR A 35 -2.997 2.965 4.595 1.00 0.00 C ATOM 606 CE2 TYR A 35 -4.872 3.153 3.044 1.00 0.00 C ATOM 607 CZ TYR A 35 -3.776 2.421 3.556 1.00 0.00 C ATOM 608 OH TYR A 35 -3.465 1.193 3.068 1.00 0.00 O ATOM 0 H TYR A 35 -6.933 5.021 5.819 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.534 5.412 7.304 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.615 6.713 4.793 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.980 6.885 5.400 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -2.726 4.638 5.921 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.053 4.952 3.220 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.147 2.420 4.978 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -5.453 2.754 2.226 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.255 0.801 2.640 1.00 0.00 H new ATOM 618 N ASP A 36 -5.045 7.450 8.690 1.00 0.00 N ATOM 619 CA ASP A 36 -5.152 8.684 9.460 1.00 0.00 C ATOM 620 C ASP A 36 -3.858 9.489 9.419 1.00 0.00 C ATOM 621 O ASP A 36 -3.844 10.607 9.935 1.00 0.00 O ATOM 622 CB ASP A 36 -5.720 8.464 10.875 1.00 0.00 C ATOM 623 CG ASP A 36 -4.774 8.135 12.039 1.00 0.00 C ATOM 624 OD1 ASP A 36 -3.531 8.155 11.925 1.00 0.00 O ATOM 625 OD2 ASP A 36 -5.284 7.896 13.164 1.00 0.00 O ATOM 0 H ASP A 36 -4.446 6.753 9.132 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.900 9.307 8.969 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.269 9.365 11.148 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.448 7.655 10.810 1.00 0.00 H new ATOM 630 N THR A 37 -2.832 8.972 8.731 1.00 0.00 N ATOM 631 CA THR A 37 -1.540 9.593 8.461 1.00 0.00 C ATOM 632 C THR A 37 -1.005 9.238 7.082 1.00 0.00 C ATOM 633 O THR A 37 -1.582 8.445 6.341 1.00 0.00 O ATOM 634 CB THR A 37 -0.535 9.314 9.597 1.00 0.00 C ATOM 635 OG1 THR A 37 -0.878 8.160 10.340 1.00 0.00 O ATOM 636 CG2 THR A 37 -0.535 10.586 10.454 1.00 0.00 C ATOM 0 H THR A 37 -2.893 8.040 8.321 1.00 0.00 H new ATOM 0 HA THR A 37 -1.691 10.672 8.442 1.00 0.00 H new ATOM 0 HB THR A 37 0.461 9.097 9.210 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.696 8.331 10.851 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.159 10.464 11.286 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.226 11.435 9.845 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.538 10.764 10.841 1.00 0.00 H new ATOM 644 N ASN A 38 0.082 9.922 6.719 1.00 0.00 N ATOM 645 CA ASN A 38 0.909 9.600 5.578 1.00 0.00 C ATOM 646 C ASN A 38 1.460 8.218 5.908 1.00 0.00 C ATOM 647 O ASN A 38 2.260 8.086 6.833 1.00 0.00 O ATOM 648 CB ASN A 38 2.049 10.627 5.410 1.00 0.00 C ATOM 649 CG ASN A 38 1.676 12.071 5.707 1.00 0.00 C ATOM 650 OD1 ASN A 38 1.201 12.794 4.836 1.00 0.00 O ATOM 651 ND2 ASN A 38 1.908 12.534 6.926 1.00 0.00 N ATOM 0 H ASN A 38 0.412 10.738 7.234 1.00 0.00 H new ATOM 0 HA ASN A 38 0.356 9.620 4.639 1.00 0.00 H new ATOM 0 HB2 ASN A 38 2.872 10.340 6.064 1.00 0.00 H new ATOM 0 HB3 ASN A 38 2.420 10.569 4.387 1.00 0.00 H new ATOM 0 HD21 ASN A 38 1.692 13.505 7.153 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.303 11.920 7.638 1.00 0.00 H new ATOM 658 N GLU A 39 0.999 7.188 5.211 1.00 0.00 N ATOM 659 CA GLU A 39 1.333 5.804 5.507 1.00 0.00 C ATOM 660 C GLU A 39 1.857 5.179 4.223 1.00 0.00 C ATOM 661 O GLU A 39 1.070 4.627 3.443 1.00 0.00 O ATOM 662 CB GLU A 39 0.088 5.099 6.051 1.00 0.00 C ATOM 663 CG GLU A 39 0.419 3.644 6.406 1.00 0.00 C ATOM 664 CD GLU A 39 -0.691 2.925 7.193 1.00 0.00 C ATOM 665 OE1 GLU A 39 -1.570 3.577 7.804 1.00 0.00 O ATOM 666 OE2 GLU A 39 -0.728 1.681 7.081 1.00 0.00 O ATOM 0 H GLU A 39 0.373 7.294 4.412 1.00 0.00 H new ATOM 0 HA GLU A 39 2.105 5.715 6.272 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.279 5.622 6.934 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.709 5.128 5.309 1.00 0.00 H new ATOM 0 HG2 GLU A 39 0.615 3.092 5.487 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.338 3.624 6.992 1.00 0.00 H new ATOM 673 N THR A 40 3.128 5.402 3.884 1.00 0.00 N ATOM 674 CA THR A 40 3.663 4.868 2.633 1.00 0.00 C ATOM 675 C THR A 40 3.639 3.353 2.719 1.00 0.00 C ATOM 676 O THR A 40 3.759 2.802 3.815 1.00 0.00 O ATOM 677 CB THR A 40 5.094 5.383 2.371 1.00 0.00 C ATOM 678 OG1 THR A 40 5.055 6.775 2.230 1.00 0.00 O ATOM 679 CG2 THR A 40 5.771 4.865 1.096 1.00 0.00 C ATOM 0 H THR A 40 3.792 5.936 4.444 1.00 0.00 H new ATOM 0 HA THR A 40 3.049 5.205 1.797 1.00 0.00 H new ATOM 0 HB THR A 40 5.669 5.022 3.224 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.047 7.193 3.116 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.770 5.292 1.015 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.843 3.778 1.138 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.181 5.156 0.227 1.00 0.00 H new ATOM 687 N CYS A 41 3.530 2.681 1.575 1.00 0.00 N ATOM 688 CA CYS A 41 3.853 1.275 1.523 1.00 0.00 C ATOM 689 C CYS A 41 4.487 0.899 0.194 1.00 0.00 C ATOM 690 O CYS A 41 4.190 1.489 -0.845 1.00 0.00 O ATOM 691 CB CYS A 41 2.616 0.435 1.833 1.00 0.00 C ATOM 692 SG CYS A 41 1.259 0.798 0.687 1.00 0.00 S ATOM 0 H CYS A 41 3.225 3.087 0.691 1.00 0.00 H new ATOM 0 HA CYS A 41 4.597 1.062 2.290 1.00 0.00 H new ATOM 0 HB2 CYS A 41 2.870 -0.623 1.774 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.291 0.628 2.855 1.00 0.00 H new ATOM 0 HG CYS A 41 0.230 0.061 0.985 1.00 0.00 H new ATOM 698 N TYR A 42 5.346 -0.113 0.248 1.00 0.00 N ATOM 699 CA TYR A 42 6.010 -0.716 -0.889 1.00 0.00 C ATOM 700 C TYR A 42 5.649 -2.202 -0.876 1.00 0.00 C ATOM 701 O TYR A 42 6.050 -2.932 0.033 1.00 0.00 O ATOM 702 CB TYR A 42 7.520 -0.469 -0.804 1.00 0.00 C ATOM 703 CG TYR A 42 8.213 -0.921 -2.066 1.00 0.00 C ATOM 704 CD1 TYR A 42 7.953 -0.236 -3.262 1.00 0.00 C ATOM 705 CD2 TYR A 42 8.998 -2.086 -2.075 1.00 0.00 C ATOM 706 CE1 TYR A 42 8.435 -0.726 -4.485 1.00 0.00 C ATOM 707 CE2 TYR A 42 9.496 -2.577 -3.299 1.00 0.00 C ATOM 708 CZ TYR A 42 9.207 -1.906 -4.511 1.00 0.00 C ATOM 709 OH TYR A 42 9.672 -2.360 -5.708 1.00 0.00 O ATOM 0 H TYR A 42 5.607 -0.552 1.131 1.00 0.00 H new ATOM 0 HA TYR A 42 5.687 -0.278 -1.833 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.710 0.592 -0.640 1.00 0.00 H new ATOM 0 HB3 TYR A 42 7.932 -1.003 0.053 1.00 0.00 H new ATOM 0 HD1 TYR A 42 7.376 0.677 -3.241 1.00 0.00 H new ATOM 0 HD2 TYR A 42 9.218 -2.601 -1.152 1.00 0.00 H new ATOM 0 HE1 TYR A 42 8.216 -0.202 -5.403 1.00 0.00 H new ATOM 0 HE2 TYR A 42 10.102 -3.471 -3.312 1.00 0.00 H new ATOM 0 HH TYR A 42 10.188 -3.181 -5.568 1.00 0.00 H new ATOM 719 N ILE A 43 4.809 -2.609 -1.823 1.00 0.00 N ATOM 720 CA ILE A 43 4.425 -3.982 -2.131 1.00 0.00 C ATOM 721 C ILE A 43 5.673 -4.712 -2.617 1.00 0.00 C ATOM 722 O ILE A 43 6.412 -4.155 -3.434 1.00 0.00 O ATOM 723 CB ILE A 43 3.352 -4.028 -3.253 1.00 0.00 C ATOM 724 CG1 ILE A 43 2.396 -2.819 -3.340 1.00 0.00 C ATOM 725 CG2 ILE A 43 2.548 -5.324 -3.125 1.00 0.00 C ATOM 726 CD1 ILE A 43 1.525 -2.571 -2.115 1.00 0.00 C ATOM 0 H ILE A 43 4.346 -1.940 -2.439 1.00 0.00 H new ATOM 0 HA ILE A 43 4.005 -4.447 -1.239 1.00 0.00 H new ATOM 0 HB ILE A 43 3.916 -3.986 -4.185 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.989 -1.924 -3.527 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.745 -2.956 -4.203 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.793 -5.363 -3.910 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.217 -6.179 -3.223 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.060 -5.355 -2.151 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.895 -1.699 -2.287 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.896 -3.443 -1.933 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.160 -2.394 -1.247 1.00 0.00 H new ATOM 738 N LEU A 44 5.872 -5.959 -2.179 1.00 0.00 N ATOM 739 CA LEU A 44 6.954 -6.803 -2.690 1.00 0.00 C ATOM 740 C LEU A 44 6.425 -8.161 -3.150 1.00 0.00 C ATOM 741 O LEU A 44 7.011 -8.776 -4.036 1.00 0.00 O ATOM 742 CB LEU A 44 8.060 -6.977 -1.634 1.00 0.00 C ATOM 743 CG LEU A 44 8.624 -5.638 -1.105 1.00 0.00 C ATOM 744 CD1 LEU A 44 8.233 -5.417 0.360 1.00 0.00 C ATOM 745 CD2 LEU A 44 10.141 -5.546 -1.237 1.00 0.00 C ATOM 0 H LEU A 44 5.294 -6.407 -1.468 1.00 0.00 H new ATOM 0 HA LEU A 44 7.386 -6.301 -3.556 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.664 -7.552 -0.796 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.874 -7.560 -2.065 1.00 0.00 H new ATOM 0 HG LEU A 44 8.183 -4.859 -1.726 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.643 -4.468 0.707 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.147 -5.397 0.448 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.631 -6.228 0.969 1.00 0.00 H new ATOM 0 HD21 LEU A 44 10.482 -4.586 -0.850 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.605 -6.352 -0.668 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.421 -5.635 -2.287 1.00 0.00 H new ATOM 757 N GLU A 45 5.308 -8.631 -2.593 1.00 0.00 N ATOM 758 CA GLU A 45 4.604 -9.831 -3.032 1.00 0.00 C ATOM 759 C GLU A 45 3.129 -9.684 -2.655 1.00 0.00 C ATOM 760 O GLU A 45 2.798 -8.884 -1.773 1.00 0.00 O ATOM 761 CB GLU A 45 5.282 -11.100 -2.477 1.00 0.00 C ATOM 762 CG GLU A 45 5.363 -11.180 -0.936 1.00 0.00 C ATOM 763 CD GLU A 45 6.468 -12.102 -0.386 1.00 0.00 C ATOM 764 OE1 GLU A 45 7.442 -12.425 -1.103 1.00 0.00 O ATOM 765 OE2 GLU A 45 6.430 -12.467 0.811 1.00 0.00 O ATOM 0 H GLU A 45 4.857 -8.172 -1.801 1.00 0.00 H new ATOM 0 HA GLU A 45 4.654 -9.945 -4.115 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.740 -11.972 -2.842 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.292 -11.160 -2.882 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.521 -10.175 -0.543 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.401 -11.524 -0.555 1.00 0.00 H new ATOM 772 N GLY A 46 2.252 -10.425 -3.335 1.00 0.00 N ATOM 773 CA GLY A 46 0.806 -10.344 -3.171 1.00 0.00 C ATOM 774 C GLY A 46 0.195 -9.213 -4.000 1.00 0.00 C ATOM 775 O GLY A 46 0.879 -8.552 -4.791 1.00 0.00 O ATOM 0 H GLY A 46 2.538 -11.114 -4.031 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.355 -11.292 -3.464 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.569 -10.190 -2.118 1.00 0.00 H new ATOM 779 N LYS A 47 -1.125 -9.044 -3.899 1.00 0.00 N ATOM 780 CA LYS A 47 -1.921 -8.194 -4.785 1.00 0.00 C ATOM 781 C LYS A 47 -3.085 -7.647 -3.977 1.00 0.00 C ATOM 782 O LYS A 47 -3.666 -8.395 -3.183 1.00 0.00 O ATOM 783 CB LYS A 47 -2.499 -9.055 -5.918 1.00 0.00 C ATOM 784 CG LYS A 47 -3.021 -8.222 -7.109 1.00 0.00 C ATOM 785 CD LYS A 47 -4.543 -8.059 -7.029 1.00 0.00 C ATOM 786 CE LYS A 47 -5.129 -6.890 -7.826 1.00 0.00 C ATOM 787 NZ LYS A 47 -5.581 -7.283 -9.179 1.00 0.00 N ATOM 0 H LYS A 47 -1.683 -9.506 -3.181 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.307 -7.392 -5.195 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.730 -9.742 -6.272 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.313 -9.664 -5.524 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.545 -7.242 -7.110 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.751 -8.709 -8.046 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.007 -8.981 -7.378 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.822 -7.937 -5.982 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.970 -6.468 -7.276 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.379 -6.104 -7.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.089 -6.489 -9.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.756 -7.533 -9.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.216 -8.104 -9.108 1.00 0.00 H new ATOM 801 N VAL A 48 -3.526 -6.420 -4.253 1.00 0.00 N ATOM 802 CA VAL A 48 -4.693 -5.864 -3.581 1.00 0.00 C ATOM 803 C VAL A 48 -5.575 -5.137 -4.594 1.00 0.00 C ATOM 804 O VAL A 48 -5.106 -4.678 -5.642 1.00 0.00 O ATOM 805 CB VAL A 48 -4.227 -4.936 -2.429 1.00 0.00 C ATOM 806 CG1 VAL A 48 -5.353 -4.360 -1.557 1.00 0.00 C ATOM 807 CG2 VAL A 48 -3.264 -5.636 -1.467 1.00 0.00 C ATOM 0 H VAL A 48 -3.093 -5.797 -4.935 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.295 -6.660 -3.142 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.744 -4.123 -2.971 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.924 -3.725 -0.781 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.028 -3.770 -2.177 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.907 -5.176 -1.093 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.968 -4.943 -0.680 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.758 -6.500 -1.023 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.379 -5.964 -2.013 1.00 0.00 H new ATOM 817 N GLU A 49 -6.856 -5.011 -4.252 1.00 0.00 N ATOM 818 CA GLU A 49 -7.805 -4.068 -4.798 1.00 0.00 C ATOM 819 C GLU A 49 -8.284 -3.196 -3.635 1.00 0.00 C ATOM 820 O GLU A 49 -8.955 -3.674 -2.716 1.00 0.00 O ATOM 821 CB GLU A 49 -8.972 -4.819 -5.447 1.00 0.00 C ATOM 822 CG GLU A 49 -8.575 -5.342 -6.827 1.00 0.00 C ATOM 823 CD GLU A 49 -9.760 -5.875 -7.633 1.00 0.00 C ATOM 824 OE1 GLU A 49 -10.683 -6.482 -7.047 1.00 0.00 O ATOM 825 OE2 GLU A 49 -9.770 -5.638 -8.861 1.00 0.00 O ATOM 0 H GLU A 49 -7.276 -5.608 -3.540 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.352 -3.447 -5.571 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.275 -5.650 -4.811 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.833 -4.156 -5.537 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.094 -4.541 -7.388 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.838 -6.136 -6.709 1.00 0.00 H new ATOM 832 N VAL A 50 -7.896 -1.924 -3.629 1.00 0.00 N ATOM 833 CA VAL A 50 -8.420 -0.926 -2.704 1.00 0.00 C ATOM 834 C VAL A 50 -9.563 -0.248 -3.447 1.00 0.00 C ATOM 835 O VAL A 50 -9.337 0.418 -4.459 1.00 0.00 O ATOM 836 CB VAL A 50 -7.295 0.039 -2.265 1.00 0.00 C ATOM 837 CG1 VAL A 50 -7.765 1.101 -1.260 1.00 0.00 C ATOM 838 CG2 VAL A 50 -6.106 -0.730 -1.670 1.00 0.00 C ATOM 0 H VAL A 50 -7.199 -1.553 -4.275 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.793 -1.353 -1.773 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.984 0.558 -3.172 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.927 1.745 -0.993 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.556 1.702 -1.709 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.145 0.611 -0.364 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.330 -0.025 -1.370 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.438 -1.296 -0.800 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.705 -1.415 -2.417 1.00 0.00 H new ATOM 848 N THR A 51 -10.794 -0.473 -2.994 1.00 0.00 N ATOM 849 CA THR A 51 -12.000 -0.015 -3.668 1.00 0.00 C ATOM 850 C THR A 51 -12.650 1.055 -2.793 1.00 0.00 C ATOM 851 O THR A 51 -13.070 0.770 -1.666 1.00 0.00 O ATOM 852 CB THR A 51 -12.932 -1.198 -3.953 1.00 0.00 C ATOM 853 OG1 THR A 51 -12.233 -2.274 -4.546 1.00 0.00 O ATOM 854 CG2 THR A 51 -14.071 -0.795 -4.898 1.00 0.00 C ATOM 0 H THR A 51 -10.981 -0.988 -2.134 1.00 0.00 H new ATOM 0 HA THR A 51 -11.766 0.425 -4.637 1.00 0.00 H new ATOM 0 HB THR A 51 -13.340 -1.508 -2.991 1.00 0.00 H new ATOM 0 HG1 THR A 51 -12.810 -3.066 -4.568 1.00 0.00 H new ATOM 0 HG21 THR A 51 -14.714 -1.656 -5.080 1.00 0.00 H new ATOM 0 HG22 THR A 51 -14.655 0.005 -4.443 1.00 0.00 H new ATOM 0 HG23 THR A 51 -13.654 -0.447 -5.843 1.00 0.00 H new ATOM 862 N THR A 52 -12.676 2.297 -3.263 1.00 0.00 N ATOM 863 CA THR A 52 -13.071 3.433 -2.454 1.00 0.00 C ATOM 864 C THR A 52 -14.581 3.488 -2.248 1.00 0.00 C ATOM 865 O THR A 52 -15.358 2.792 -2.905 1.00 0.00 O ATOM 866 CB THR A 52 -12.488 4.738 -3.037 1.00 0.00 C ATOM 867 OG1 THR A 52 -13.151 5.154 -4.213 1.00 0.00 O ATOM 868 CG2 THR A 52 -10.995 4.633 -3.367 1.00 0.00 C ATOM 0 H THR A 52 -12.422 2.540 -4.220 1.00 0.00 H new ATOM 0 HA THR A 52 -12.648 3.311 -1.457 1.00 0.00 H new ATOM 0 HB THR A 52 -12.638 5.471 -2.244 1.00 0.00 H new ATOM 0 HG1 THR A 52 -12.746 5.984 -4.541 1.00 0.00 H new ATOM 0 HG21 THR A 52 -10.644 5.582 -3.773 1.00 0.00 H new ATOM 0 HG22 THR A 52 -10.438 4.398 -2.460 1.00 0.00 H new ATOM 0 HG23 THR A 52 -10.840 3.844 -4.103 1.00 0.00 H new ATOM 876 N GLU A 53 -14.994 4.381 -1.351 1.00 0.00 N ATOM 877 CA GLU A 53 -16.386 4.783 -1.179 1.00 0.00 C ATOM 878 C GLU A 53 -16.930 5.405 -2.483 1.00 0.00 C ATOM 879 O GLU A 53 -18.110 5.309 -2.811 1.00 0.00 O ATOM 880 CB GLU A 53 -16.391 5.808 -0.043 1.00 0.00 C ATOM 881 CG GLU A 53 -17.768 6.298 0.421 1.00 0.00 C ATOM 882 CD GLU A 53 -17.566 7.473 1.379 1.00 0.00 C ATOM 883 OE1 GLU A 53 -16.845 7.313 2.387 1.00 0.00 O ATOM 884 OE2 GLU A 53 -17.931 8.623 1.030 1.00 0.00 O ATOM 0 H GLU A 53 -14.356 4.854 -0.711 1.00 0.00 H new ATOM 0 HA GLU A 53 -17.025 3.932 -0.944 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -15.876 5.373 0.813 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -15.808 6.673 -0.360 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -18.369 6.606 -0.435 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -18.309 5.493 0.918 1.00 0.00 H new ATOM 891 N ASP A 54 -16.044 6.034 -3.259 1.00 0.00 N ATOM 892 CA ASP A 54 -16.319 6.607 -4.580 1.00 0.00 C ATOM 893 C ASP A 54 -16.264 5.536 -5.683 1.00 0.00 C ATOM 894 O ASP A 54 -16.252 5.821 -6.883 1.00 0.00 O ATOM 895 CB ASP A 54 -15.309 7.729 -4.841 1.00 0.00 C ATOM 896 CG ASP A 54 -15.903 8.855 -5.683 1.00 0.00 C ATOM 897 OD1 ASP A 54 -16.779 8.616 -6.541 1.00 0.00 O ATOM 898 OD2 ASP A 54 -15.497 10.020 -5.462 1.00 0.00 O ATOM 0 H ASP A 54 -15.074 6.164 -2.972 1.00 0.00 H new ATOM 0 HA ASP A 54 -17.330 7.013 -4.596 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -14.963 8.133 -3.889 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.436 7.319 -5.349 1.00 0.00 H new ATOM 903 N GLY A 55 -16.170 4.267 -5.285 1.00 0.00 N ATOM 904 CA GLY A 55 -16.200 3.109 -6.152 1.00 0.00 C ATOM 905 C GLY A 55 -14.957 2.923 -7.014 1.00 0.00 C ATOM 906 O GLY A 55 -14.895 1.929 -7.742 1.00 0.00 O ATOM 0 H GLY A 55 -16.066 4.017 -4.302 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -16.337 2.218 -5.540 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -17.070 3.184 -6.805 1.00 0.00 H new ATOM 910 N LYS A 56 -13.982 3.833 -6.942 1.00 0.00 N ATOM 911 CA LYS A 56 -12.728 3.760 -7.685 1.00 0.00 C ATOM 912 C LYS A 56 -11.993 2.539 -7.191 1.00 0.00 C ATOM 913 O LYS A 56 -11.921 2.338 -5.978 1.00 0.00 O ATOM 914 CB LYS A 56 -11.838 4.978 -7.394 1.00 0.00 C ATOM 915 CG LYS A 56 -12.476 6.313 -7.771 1.00 0.00 C ATOM 916 CD LYS A 56 -12.269 6.668 -9.241 1.00 0.00 C ATOM 917 CE LYS A 56 -12.922 8.027 -9.506 1.00 0.00 C ATOM 918 NZ LYS A 56 -12.963 8.339 -10.943 1.00 0.00 N ATOM 0 H LYS A 56 -14.048 4.661 -6.349 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.944 3.725 -8.753 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -11.592 4.991 -6.332 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -10.900 4.868 -7.937 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -13.544 6.274 -7.557 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -12.055 7.102 -7.148 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.205 6.706 -9.476 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -12.710 5.904 -9.881 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -13.935 8.029 -9.104 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.369 8.805 -8.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -13.412 9.266 -11.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.994 8.362 -11.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.512 7.609 -11.441 1.00 0.00 H new ATOM 932 N LYS A 57 -11.404 1.756 -8.083 1.00 0.00 N ATOM 933 CA LYS A 57 -10.387 0.809 -7.666 1.00 0.00 C ATOM 934 C LYS A 57 -9.019 1.427 -7.798 1.00 0.00 C ATOM 935 O LYS A 57 -8.759 2.255 -8.677 1.00 0.00 O ATOM 936 CB LYS A 57 -10.460 -0.498 -8.456 1.00 0.00 C ATOM 937 CG LYS A 57 -11.415 -1.451 -7.744 1.00 0.00 C ATOM 938 CD LYS A 57 -11.303 -2.849 -8.336 1.00 0.00 C ATOM 939 CE LYS A 57 -12.337 -3.790 -7.713 1.00 0.00 C ATOM 940 NZ LYS A 57 -13.685 -3.530 -8.250 1.00 0.00 N ATOM 0 H LYS A 57 -11.609 1.758 -9.082 1.00 0.00 H new ATOM 0 HA LYS A 57 -10.574 0.565 -6.620 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.806 -0.306 -9.472 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.470 -0.946 -8.536 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.184 -1.480 -6.679 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.439 -1.089 -7.839 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.450 -2.804 -9.415 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.300 -3.241 -8.167 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.057 -4.825 -7.911 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.343 -3.663 -6.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.343 -4.256 -7.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.008 -2.592 -7.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.656 -3.559 -9.289 1.00 0.00 H new ATOM 954 N TYR A 58 -8.129 0.917 -6.965 1.00 0.00 N ATOM 955 CA TYR A 58 -6.698 1.017 -7.051 1.00 0.00 C ATOM 956 C TYR A 58 -6.256 -0.433 -6.998 1.00 0.00 C ATOM 957 O TYR A 58 -6.338 -1.087 -5.956 1.00 0.00 O ATOM 958 CB TYR A 58 -6.150 1.876 -5.913 1.00 0.00 C ATOM 959 CG TYR A 58 -6.581 3.324 -5.998 1.00 0.00 C ATOM 960 CD1 TYR A 58 -7.888 3.689 -5.622 1.00 0.00 C ATOM 961 CD2 TYR A 58 -5.691 4.295 -6.489 1.00 0.00 C ATOM 962 CE1 TYR A 58 -8.329 5.009 -5.801 1.00 0.00 C ATOM 963 CE2 TYR A 58 -6.106 5.634 -6.601 1.00 0.00 C ATOM 964 CZ TYR A 58 -7.443 5.982 -6.303 1.00 0.00 C ATOM 965 OH TYR A 58 -7.898 7.240 -6.532 1.00 0.00 O ATOM 0 H TYR A 58 -8.421 0.381 -6.148 1.00 0.00 H new ATOM 0 HA TYR A 58 -6.328 1.512 -7.949 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.481 1.461 -4.961 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -5.061 1.827 -5.921 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.552 2.952 -5.195 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -4.690 4.013 -6.780 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.345 5.278 -5.554 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -5.405 6.394 -6.914 1.00 0.00 H new ATOM 0 HH TYR A 58 -7.167 7.795 -6.876 1.00 0.00 H new ATOM 975 N VAL A 59 -5.949 -0.963 -8.173 1.00 0.00 N ATOM 976 CA VAL A 59 -5.260 -2.237 -8.319 1.00 0.00 C ATOM 977 C VAL A 59 -3.778 -1.929 -8.114 1.00 0.00 C ATOM 978 O VAL A 59 -3.312 -0.872 -8.548 1.00 0.00 O ATOM 979 CB VAL A 59 -5.562 -2.827 -9.713 1.00 0.00 C ATOM 980 CG1 VAL A 59 -4.604 -3.958 -10.090 1.00 0.00 C ATOM 981 CG2 VAL A 59 -6.986 -3.400 -9.766 1.00 0.00 C ATOM 0 H VAL A 59 -6.174 -0.516 -9.062 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.585 -2.987 -7.597 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.443 -2.002 -10.416 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.860 -4.337 -11.079 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.581 -3.581 -10.100 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.686 -4.763 -9.360 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -7.176 -3.810 -10.758 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.089 -4.189 -9.021 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.705 -2.608 -9.557 1.00 0.00 H new ATOM 991 N ILE A 60 -3.058 -2.837 -7.463 1.00 0.00 N ATOM 992 CA ILE A 60 -1.636 -2.714 -7.192 1.00 0.00 C ATOM 993 C ILE A 60 -1.029 -4.110 -7.195 1.00 0.00 C ATOM 994 O ILE A 60 -1.441 -4.969 -6.404 1.00 0.00 O ATOM 995 CB ILE A 60 -1.364 -1.976 -5.857 1.00 0.00 C ATOM 996 CG1 ILE A 60 -2.447 -2.222 -4.781 1.00 0.00 C ATOM 997 CG2 ILE A 60 -1.198 -0.474 -6.105 1.00 0.00 C ATOM 998 CD1 ILE A 60 -2.223 -1.466 -3.469 1.00 0.00 C ATOM 0 H ILE A 60 -3.462 -3.701 -7.101 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.169 -2.108 -7.968 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.438 -2.393 -5.462 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.417 -1.937 -5.188 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.492 -3.290 -4.567 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.007 0.032 -5.159 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.359 -0.307 -6.781 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.109 -0.076 -6.552 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.029 -1.698 -2.773 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.270 -1.767 -3.033 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.209 -0.394 -3.665 1.00 0.00 H new ATOM 1010 N GLU A 61 -0.076 -4.329 -8.097 1.00 0.00 N ATOM 1011 CA GLU A 61 0.747 -5.531 -8.133 1.00 0.00 C ATOM 1012 C GLU A 61 1.891 -5.449 -7.093 1.00 0.00 C ATOM 1013 O GLU A 61 2.074 -4.449 -6.395 1.00 0.00 O ATOM 1014 CB GLU A 61 1.342 -5.765 -9.538 1.00 0.00 C ATOM 1015 CG GLU A 61 0.391 -6.163 -10.685 1.00 0.00 C ATOM 1016 CD GLU A 61 -0.441 -5.047 -11.336 1.00 0.00 C ATOM 1017 OE1 GLU A 61 0.004 -4.389 -12.308 1.00 0.00 O ATOM 1018 OE2 GLU A 61 -1.641 -4.961 -11.000 1.00 0.00 O ATOM 0 H GLU A 61 0.149 -3.663 -8.836 1.00 0.00 H new ATOM 0 HA GLU A 61 0.099 -6.372 -7.886 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.856 -4.851 -9.836 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.100 -6.543 -9.451 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.985 -6.638 -11.465 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.297 -6.918 -10.305 1.00 0.00 H new ATOM 1025 N LYS A 62 2.677 -6.528 -7.006 1.00 0.00 N ATOM 1026 CA LYS A 62 3.859 -6.805 -6.176 1.00 0.00 C ATOM 1027 C LYS A 62 5.107 -5.973 -6.519 1.00 0.00 C ATOM 1028 O LYS A 62 6.220 -6.495 -6.588 1.00 0.00 O ATOM 1029 CB LYS A 62 4.153 -8.313 -6.260 1.00 0.00 C ATOM 1030 CG LYS A 62 4.312 -8.784 -7.711 1.00 0.00 C ATOM 1031 CD LYS A 62 4.677 -10.270 -7.806 1.00 0.00 C ATOM 1032 CE LYS A 62 4.146 -10.756 -9.155 1.00 0.00 C ATOM 1033 NZ LYS A 62 4.899 -11.884 -9.720 1.00 0.00 N ATOM 0 H LYS A 62 2.472 -7.336 -7.594 1.00 0.00 H new ATOM 0 HA LYS A 62 3.619 -6.501 -5.157 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.063 -8.537 -5.704 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.344 -8.868 -5.785 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.383 -8.606 -8.252 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.085 -8.191 -8.200 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.756 -10.411 -7.739 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.231 -10.833 -6.986 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.103 -11.050 -9.039 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.167 -9.927 -9.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.482 -12.158 -10.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.890 -11.603 -9.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.859 -12.691 -9.065 1.00 0.00 H new ATOM 1047 N GLY A 63 4.922 -4.678 -6.707 1.00 0.00 N ATOM 1048 CA GLY A 63 5.996 -3.733 -6.998 1.00 0.00 C ATOM 1049 C GLY A 63 5.531 -2.279 -7.037 1.00 0.00 C ATOM 1050 O GLY A 63 6.365 -1.370 -7.075 1.00 0.00 O ATOM 0 H GLY A 63 4.002 -4.240 -6.661 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.776 -3.837 -6.244 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.445 -3.989 -7.958 1.00 0.00 H new ATOM 1054 N ASP A 64 4.225 -2.036 -6.954 1.00 0.00 N ATOM 1055 CA ASP A 64 3.603 -0.724 -7.113 1.00 0.00 C ATOM 1056 C ASP A 64 3.737 0.114 -5.839 1.00 0.00 C ATOM 1057 O ASP A 64 2.968 -0.091 -4.905 1.00 0.00 O ATOM 1058 CB ASP A 64 2.114 -0.927 -7.421 1.00 0.00 C ATOM 1059 CG ASP A 64 1.808 -1.501 -8.803 1.00 0.00 C ATOM 1060 OD1 ASP A 64 2.683 -2.099 -9.468 1.00 0.00 O ATOM 1061 OD2 ASP A 64 0.683 -1.291 -9.291 1.00 0.00 O ATOM 0 H ASP A 64 3.546 -2.774 -6.767 1.00 0.00 H new ATOM 0 HA ASP A 64 4.104 -0.195 -7.924 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.691 -1.591 -6.667 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.605 0.032 -7.323 1.00 0.00 H new ATOM 1066 N LEU A 65 4.689 1.053 -5.753 1.00 0.00 N ATOM 1067 CA LEU A 65 4.815 1.900 -4.567 1.00 0.00 C ATOM 1068 C LEU A 65 3.549 2.749 -4.468 1.00 0.00 C ATOM 1069 O LEU A 65 3.124 3.323 -5.475 1.00 0.00 O ATOM 1070 CB LEU A 65 6.060 2.791 -4.668 1.00 0.00 C ATOM 1071 CG LEU A 65 6.170 3.846 -3.540 1.00 0.00 C ATOM 1072 CD1 LEU A 65 6.776 3.247 -2.267 1.00 0.00 C ATOM 1073 CD2 LEU A 65 7.028 5.025 -3.991 1.00 0.00 C ATOM 0 H LEU A 65 5.375 1.242 -6.484 1.00 0.00 H new ATOM 0 HA LEU A 65 4.929 1.286 -3.673 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.949 2.160 -4.650 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.052 3.302 -5.631 1.00 0.00 H new ATOM 0 HG LEU A 65 5.159 4.188 -3.320 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.838 4.016 -1.497 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.147 2.430 -1.914 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.775 2.868 -2.483 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.094 5.756 -3.185 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.028 4.672 -4.243 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.576 5.490 -4.867 1.00 0.00 H new ATOM 1085 N VAL A 66 3.001 2.882 -3.261 1.00 0.00 N ATOM 1086 CA VAL A 66 1.813 3.679 -2.993 1.00 0.00 C ATOM 1087 C VAL A 66 2.157 4.750 -1.963 1.00 0.00 C ATOM 1088 O VAL A 66 3.074 4.599 -1.147 1.00 0.00 O ATOM 1089 CB VAL A 66 0.656 2.764 -2.525 1.00 0.00 C ATOM 1090 CG1 VAL A 66 -0.720 3.447 -2.560 1.00 0.00 C ATOM 1091 CG2 VAL A 66 0.548 1.478 -3.356 1.00 0.00 C ATOM 0 H VAL A 66 3.380 2.429 -2.429 1.00 0.00 H new ATOM 0 HA VAL A 66 1.476 4.179 -3.901 1.00 0.00 H new ATOM 0 HB VAL A 66 0.916 2.528 -1.493 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.483 2.747 -2.219 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.710 4.319 -1.906 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.945 3.760 -3.580 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.280 0.873 -2.985 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.371 1.734 -4.401 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.476 0.912 -3.273 1.00 0.00 H new ATOM 1101 N THR A 67 1.406 5.844 -1.983 1.00 0.00 N ATOM 1102 CA THR A 67 1.297 6.778 -0.875 1.00 0.00 C ATOM 1103 C THR A 67 -0.158 7.249 -0.880 1.00 0.00 C ATOM 1104 O THR A 67 -0.623 7.730 -1.908 1.00 0.00 O ATOM 1105 CB THR A 67 2.308 7.922 -1.057 1.00 0.00 C ATOM 1106 OG1 THR A 67 3.619 7.395 -1.174 1.00 0.00 O ATOM 1107 CG2 THR A 67 2.320 8.920 0.108 1.00 0.00 C ATOM 0 H THR A 67 0.843 6.111 -2.791 1.00 0.00 H new ATOM 0 HA THR A 67 1.536 6.331 0.090 1.00 0.00 H new ATOM 0 HB THR A 67 1.996 8.449 -1.959 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.596 6.426 -1.032 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.056 9.699 -0.088 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.333 9.371 0.211 1.00 0.00 H new ATOM 0 HG23 THR A 67 2.579 8.400 1.030 1.00 0.00 H new ATOM 1115 N PHE A 68 -0.892 7.046 0.209 1.00 0.00 N ATOM 1116 CA PHE A 68 -2.214 7.597 0.478 1.00 0.00 C ATOM 1117 C PHE A 68 -2.053 8.973 1.149 1.00 0.00 C ATOM 1118 O PHE A 68 -0.965 9.296 1.631 1.00 0.00 O ATOM 1119 CB PHE A 68 -2.951 6.603 1.387 1.00 0.00 C ATOM 1120 CG PHE A 68 -3.216 5.258 0.728 1.00 0.00 C ATOM 1121 CD1 PHE A 68 -4.222 5.117 -0.246 1.00 0.00 C ATOM 1122 CD2 PHE A 68 -2.447 4.139 1.085 1.00 0.00 C ATOM 1123 CE1 PHE A 68 -4.492 3.857 -0.811 1.00 0.00 C ATOM 1124 CE2 PHE A 68 -2.690 2.886 0.497 1.00 0.00 C ATOM 1125 CZ PHE A 68 -3.725 2.739 -0.441 1.00 0.00 C ATOM 0 H PHE A 68 -0.559 6.457 0.973 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.790 7.740 -0.436 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.363 6.446 2.291 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.900 7.041 1.696 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.789 5.980 -0.561 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.661 4.242 1.819 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.290 3.749 -1.530 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.081 2.036 0.766 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.930 1.772 -0.876 1.00 0.00 H new ATOM 1135 N PRO A 69 -3.097 9.817 1.217 1.00 0.00 N ATOM 1136 CA PRO A 69 -3.017 11.021 2.023 1.00 0.00 C ATOM 1137 C PRO A 69 -3.249 10.694 3.495 1.00 0.00 C ATOM 1138 O PRO A 69 -3.679 9.607 3.880 1.00 0.00 O ATOM 1139 CB PRO A 69 -4.123 11.926 1.502 1.00 0.00 C ATOM 1140 CG PRO A 69 -5.207 10.901 1.202 1.00 0.00 C ATOM 1141 CD PRO A 69 -4.438 9.686 0.666 1.00 0.00 C ATOM 0 HA PRO A 69 -2.037 11.492 1.953 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -4.441 12.660 2.243 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -3.820 12.480 0.614 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -5.776 10.649 2.097 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -5.919 11.278 0.467 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -4.905 8.753 0.981 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -4.418 9.681 -0.424 1.00 0.00 H new ATOM 1149 N LYS A 70 -3.081 11.734 4.299 1.00 0.00 N ATOM 1150 CA LYS A 70 -3.360 11.727 5.724 1.00 0.00 C ATOM 1151 C LYS A 70 -4.862 11.907 5.881 1.00 0.00 C ATOM 1152 O LYS A 70 -5.331 13.043 5.918 1.00 0.00 O ATOM 1153 CB LYS A 70 -2.503 12.819 6.388 1.00 0.00 C ATOM 1154 CG LYS A 70 -2.794 13.053 7.880 1.00 0.00 C ATOM 1155 CD LYS A 70 -1.603 13.776 8.515 1.00 0.00 C ATOM 1156 CE LYS A 70 -1.805 13.940 10.020 1.00 0.00 C ATOM 1157 NZ LYS A 70 -2.517 15.184 10.360 1.00 0.00 N ATOM 0 H LYS A 70 -2.736 12.634 3.965 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.093 10.796 6.223 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.452 12.554 6.275 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.655 13.756 5.852 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.701 13.647 7.998 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.968 12.102 8.383 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.688 13.214 8.326 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.477 14.755 8.052 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.366 13.088 10.403 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -0.835 13.933 10.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.629 15.249 11.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.971 16.001 10.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.454 15.182 9.909 1.00 0.00 H new ATOM 1171 N GLY A 71 -5.618 10.815 5.885 1.00 0.00 N ATOM 1172 CA GLY A 71 -7.070 10.836 5.950 1.00 0.00 C ATOM 1173 C GLY A 71 -7.648 10.233 4.672 1.00 0.00 C ATOM 1174 O GLY A 71 -7.944 10.976 3.727 1.00 0.00 O ATOM 0 H GLY A 71 -5.229 9.873 5.842 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.414 10.273 6.818 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.424 11.859 6.074 1.00 0.00 H new ATOM 1178 N LEU A 72 -7.782 8.905 4.619 1.00 0.00 N ATOM 1179 CA LEU A 72 -8.563 8.175 3.619 1.00 0.00 C ATOM 1180 C LEU A 72 -9.152 6.919 4.271 1.00 0.00 C ATOM 1181 O LEU A 72 -8.464 6.259 5.040 1.00 0.00 O ATOM 1182 CB LEU A 72 -7.656 7.794 2.436 1.00 0.00 C ATOM 1183 CG LEU A 72 -8.382 7.006 1.327 1.00 0.00 C ATOM 1184 CD1 LEU A 72 -9.476 7.849 0.668 1.00 0.00 C ATOM 1185 CD2 LEU A 72 -7.373 6.557 0.274 1.00 0.00 C ATOM 0 H LEU A 72 -7.333 8.288 5.296 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.375 8.799 3.246 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.233 8.702 2.007 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.822 7.198 2.806 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.855 6.136 1.782 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.968 7.264 -0.109 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -10.209 8.145 1.418 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.031 8.740 0.224 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.888 6.000 -0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.888 7.431 -0.161 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.622 5.919 0.739 1.00 0.00 H new ATOM 1197 N ARG A 73 -10.394 6.555 3.940 1.00 0.00 N ATOM 1198 CA ARG A 73 -11.132 5.428 4.519 1.00 0.00 C ATOM 1199 C ARG A 73 -11.842 4.684 3.390 1.00 0.00 C ATOM 1200 O ARG A 73 -12.800 5.217 2.820 1.00 0.00 O ATOM 1201 CB ARG A 73 -12.076 5.931 5.626 1.00 0.00 C ATOM 1202 CG ARG A 73 -13.108 6.974 5.155 1.00 0.00 C ATOM 1203 CD ARG A 73 -13.543 7.904 6.286 1.00 0.00 C ATOM 1204 NE ARG A 73 -13.809 9.247 5.765 1.00 0.00 N ATOM 1205 CZ ARG A 73 -14.969 9.703 5.298 1.00 0.00 C ATOM 1206 NH1 ARG A 73 -16.068 8.956 5.312 1.00 0.00 N ATOM 1207 NH2 ARG A 73 -15.015 10.931 4.814 1.00 0.00 N ATOM 0 H ARG A 73 -10.934 7.056 3.235 1.00 0.00 H new ATOM 0 HA ARG A 73 -10.461 4.718 5.003 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.606 5.078 6.050 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -11.478 6.365 6.427 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -12.681 7.565 4.344 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -13.981 6.462 4.751 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -14.438 7.509 6.767 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -12.765 7.950 7.048 1.00 0.00 H new ATOM 0 HE ARG A 73 -13.025 9.899 5.760 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -16.036 8.008 5.687 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -16.944 9.331 4.948 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -14.173 11.507 4.804 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -15.892 11.303 4.450 1.00 0.00 H new ATOM 1221 N CYS A 74 -11.314 3.527 2.987 1.00 0.00 N ATOM 1222 CA CYS A 74 -11.802 2.720 1.869 1.00 0.00 C ATOM 1223 C CYS A 74 -11.549 1.239 2.141 1.00 0.00 C ATOM 1224 O CYS A 74 -10.675 0.886 2.945 1.00 0.00 O ATOM 1225 CB CYS A 74 -11.047 3.042 0.586 1.00 0.00 C ATOM 1226 SG CYS A 74 -11.230 4.790 0.138 1.00 0.00 S ATOM 0 H CYS A 74 -10.505 3.111 3.448 1.00 0.00 H new ATOM 0 HA CYS A 74 -12.864 2.941 1.762 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -9.991 2.805 0.713 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -11.419 2.415 -0.225 1.00 0.00 H new ATOM 0 HG CYS A 74 -11.999 5.381 1.003 1.00 0.00 H new ATOM 1232 N ARG A 75 -12.226 0.390 1.366 1.00 0.00 N ATOM 1233 CA ARG A 75 -12.091 -1.056 1.417 1.00 0.00 C ATOM 1234 C ARG A 75 -10.732 -1.516 0.940 1.00 0.00 C ATOM 1235 O ARG A 75 -10.012 -0.795 0.254 1.00 0.00 O ATOM 1236 CB ARG A 75 -13.192 -1.720 0.589 1.00 0.00 C ATOM 1237 CG ARG A 75 -14.102 -2.626 1.433 1.00 0.00 C ATOM 1238 CD ARG A 75 -15.567 -2.341 1.113 1.00 0.00 C ATOM 1239 NE ARG A 75 -15.955 -0.954 1.445 1.00 0.00 N ATOM 1240 CZ ARG A 75 -17.145 -0.536 1.902 1.00 0.00 C ATOM 1241 NH1 ARG A 75 -18.151 -1.391 2.083 1.00 0.00 N ATOM 1242 NH2 ARG A 75 -17.316 0.749 2.180 1.00 0.00 N ATOM 0 H ARG A 75 -12.900 0.704 0.668 1.00 0.00 H new ATOM 0 HA ARG A 75 -12.192 -1.356 2.460 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -13.796 -0.949 0.110 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -12.737 -2.309 -0.207 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -13.874 -3.673 1.231 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.914 -2.458 2.493 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -15.747 -2.522 0.053 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -16.199 -3.035 1.667 1.00 0.00 H new ATOM 0 HE ARG A 75 -15.241 -0.238 1.312 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -18.023 -2.381 1.873 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -19.049 -1.055 2.431 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -16.548 1.406 2.046 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -18.216 1.080 2.528 1.00 0.00 H new ATOM 1256 N TRP A 76 -10.423 -2.754 1.288 1.00 0.00 N ATOM 1257 CA TRP A 76 -9.126 -3.380 1.180 1.00 0.00 C ATOM 1258 C TRP A 76 -9.357 -4.862 0.914 1.00 0.00 C ATOM 1259 O TRP A 76 -9.691 -5.623 1.823 1.00 0.00 O ATOM 1260 CB TRP A 76 -8.323 -3.136 2.465 1.00 0.00 C ATOM 1261 CG TRP A 76 -7.241 -2.129 2.279 1.00 0.00 C ATOM 1262 CD1 TRP A 76 -7.395 -0.794 2.154 1.00 0.00 C ATOM 1263 CD2 TRP A 76 -5.837 -2.396 2.031 1.00 0.00 C ATOM 1264 NE1 TRP A 76 -6.187 -0.220 1.812 1.00 0.00 N ATOM 1265 CE2 TRP A 76 -5.217 -1.180 1.627 1.00 0.00 C ATOM 1266 CE3 TRP A 76 -5.046 -3.561 2.046 1.00 0.00 C ATOM 1267 CZ2 TRP A 76 -3.901 -1.149 1.150 1.00 0.00 C ATOM 1268 CZ3 TRP A 76 -3.711 -3.529 1.616 1.00 0.00 C ATOM 1269 CH2 TRP A 76 -3.158 -2.337 1.128 1.00 0.00 C ATOM 0 H TRP A 76 -11.122 -3.386 1.679 1.00 0.00 H new ATOM 0 HA TRP A 76 -8.542 -2.958 0.362 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -8.997 -2.799 3.252 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -7.886 -4.076 2.801 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -8.321 -0.257 2.299 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -6.033 0.783 1.710 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -5.472 -4.491 2.393 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -3.465 -0.223 0.804 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -3.108 -4.424 1.661 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -2.153 -2.334 0.733 1.00 0.00 H new ATOM 1280 N LYS A 77 -9.251 -5.278 -0.345 1.00 0.00 N ATOM 1281 CA LYS A 77 -9.509 -6.650 -0.754 1.00 0.00 C ATOM 1282 C LYS A 77 -8.184 -7.267 -1.163 1.00 0.00 C ATOM 1283 O LYS A 77 -7.568 -6.819 -2.130 1.00 0.00 O ATOM 1284 CB LYS A 77 -10.552 -6.640 -1.870 1.00 0.00 C ATOM 1285 CG LYS A 77 -11.032 -8.050 -2.186 1.00 0.00 C ATOM 1286 CD LYS A 77 -11.987 -8.037 -3.383 1.00 0.00 C ATOM 1287 CE LYS A 77 -12.266 -9.483 -3.786 1.00 0.00 C ATOM 1288 NZ LYS A 77 -13.322 -10.102 -2.969 1.00 0.00 N ATOM 0 H LYS A 77 -8.981 -4.665 -1.114 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.921 -7.258 0.051 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.400 -6.022 -1.574 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.126 -6.188 -2.766 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.178 -8.691 -2.402 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -11.535 -8.472 -1.316 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.916 -7.529 -3.123 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -11.546 -7.489 -4.215 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -12.558 -9.514 -4.836 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -11.350 -10.066 -3.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -13.054 -11.080 -2.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -13.444 -9.560 -2.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -14.216 -10.104 -3.501 1.00 0.00 H new ATOM 1302 N VAL A 78 -7.701 -8.227 -0.386 1.00 0.00 N ATOM 1303 CA VAL A 78 -6.426 -8.874 -0.598 1.00 0.00 C ATOM 1304 C VAL A 78 -6.738 -10.011 -1.549 1.00 0.00 C ATOM 1305 O VAL A 78 -7.499 -10.911 -1.201 1.00 0.00 O ATOM 1306 CB VAL A 78 -5.850 -9.373 0.740 1.00 0.00 C ATOM 1307 CG1 VAL A 78 -4.349 -9.646 0.601 1.00 0.00 C ATOM 1308 CG2 VAL A 78 -6.068 -8.332 1.854 1.00 0.00 C ATOM 0 H VAL A 78 -8.203 -8.582 0.428 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.668 -8.208 -1.010 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.370 -10.294 1.005 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.953 -9.998 1.554 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.187 -10.407 -0.163 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.837 -8.728 0.313 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.653 -8.707 2.789 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.570 -7.401 1.584 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.136 -8.150 1.978 1.00 0.00 H new ATOM 1318 N LEU A 79 -6.247 -9.918 -2.779 1.00 0.00 N ATOM 1319 CA LEU A 79 -6.463 -10.991 -3.740 1.00 0.00 C ATOM 1320 C LEU A 79 -5.317 -11.990 -3.665 1.00 0.00 C ATOM 1321 O LEU A 79 -5.526 -13.151 -3.987 1.00 0.00 O ATOM 1322 CB LEU A 79 -6.665 -10.446 -5.158 1.00 0.00 C ATOM 1323 CG LEU A 79 -7.738 -9.343 -5.275 1.00 0.00 C ATOM 1324 CD1 LEU A 79 -8.054 -9.042 -6.738 1.00 0.00 C ATOM 1325 CD2 LEU A 79 -9.075 -9.713 -4.646 1.00 0.00 C ATOM 0 H LEU A 79 -5.707 -9.127 -3.129 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.384 -11.513 -3.481 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.716 -10.051 -5.520 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.938 -11.272 -5.815 1.00 0.00 H new ATOM 0 HG LEU A 79 -7.303 -8.493 -4.750 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.813 -8.261 -6.793 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.149 -8.705 -7.244 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.426 -9.945 -7.223 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.776 -8.887 -4.769 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.473 -10.603 -5.134 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -8.934 -9.914 -3.584 1.00 0.00 H new ATOM 1337 N GLU A 80 -4.138 -11.574 -3.194 1.00 0.00 N ATOM 1338 CA GLU A 80 -3.031 -12.467 -2.848 1.00 0.00 C ATOM 1339 C GLU A 80 -2.242 -11.835 -1.701 1.00 0.00 C ATOM 1340 O GLU A 80 -2.242 -10.603 -1.598 1.00 0.00 O ATOM 1341 CB GLU A 80 -2.105 -12.690 -4.060 1.00 0.00 C ATOM 1342 CG GLU A 80 -2.615 -13.692 -5.100 1.00 0.00 C ATOM 1343 CD GLU A 80 -2.929 -15.096 -4.562 1.00 0.00 C ATOM 1344 OE1 GLU A 80 -2.294 -15.558 -3.589 1.00 0.00 O ATOM 1345 OE2 GLU A 80 -3.817 -15.765 -5.138 1.00 0.00 O ATOM 0 H GLU A 80 -3.923 -10.589 -3.040 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.429 -13.436 -2.547 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.942 -11.731 -4.553 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.135 -13.030 -3.697 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.517 -13.287 -5.559 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.869 -13.782 -5.890 1.00 0.00 H new ATOM 1352 N PRO A 81 -1.571 -12.631 -0.848 1.00 0.00 N ATOM 1353 CA PRO A 81 -1.267 -12.257 0.525 1.00 0.00 C ATOM 1354 C PRO A 81 -0.183 -11.193 0.586 1.00 0.00 C ATOM 1355 O PRO A 81 1.014 -11.484 0.573 1.00 0.00 O ATOM 1356 CB PRO A 81 -0.869 -13.544 1.232 1.00 0.00 C ATOM 1357 CG PRO A 81 -0.335 -14.438 0.120 1.00 0.00 C ATOM 1358 CD PRO A 81 -1.154 -14.007 -1.094 1.00 0.00 C ATOM 0 HA PRO A 81 -2.127 -11.804 1.018 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -0.111 -13.361 1.993 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -1.721 -14.001 1.735 1.00 0.00 H new ATOM 0 HG2 PRO A 81 0.733 -14.288 -0.040 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -0.478 -15.494 0.348 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -0.560 -14.075 -2.006 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -2.019 -14.656 -1.228 1.00 0.00 H new ATOM 1366 N VAL A 82 -0.627 -9.942 0.596 1.00 0.00 N ATOM 1367 CA VAL A 82 0.224 -8.803 0.341 1.00 0.00 C ATOM 1368 C VAL A 82 1.198 -8.611 1.496 1.00 0.00 C ATOM 1369 O VAL A 82 0.840 -8.162 2.588 1.00 0.00 O ATOM 1370 CB VAL A 82 -0.634 -7.592 -0.040 1.00 0.00 C ATOM 1371 CG1 VAL A 82 -1.392 -7.028 1.156 1.00 0.00 C ATOM 1372 CG2 VAL A 82 0.229 -6.516 -0.692 1.00 0.00 C ATOM 0 H VAL A 82 -1.599 -9.695 0.784 1.00 0.00 H new ATOM 0 HA VAL A 82 0.867 -8.964 -0.524 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.380 -7.930 -0.759 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.987 -6.171 0.839 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.050 -7.795 1.564 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.682 -6.714 1.921 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.394 -5.662 -0.957 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.003 -6.198 0.006 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.695 -6.919 -1.591 1.00 0.00 H new ATOM 1382 N ARG A 83 2.452 -8.965 1.254 1.00 0.00 N ATOM 1383 CA ARG A 83 3.546 -8.622 2.139 1.00 0.00 C ATOM 1384 C ARG A 83 4.072 -7.298 1.626 1.00 0.00 C ATOM 1385 O ARG A 83 4.510 -7.188 0.475 1.00 0.00 O ATOM 1386 CB ARG A 83 4.607 -9.727 2.156 1.00 0.00 C ATOM 1387 CG ARG A 83 5.092 -9.984 3.583 1.00 0.00 C ATOM 1388 CD ARG A 83 6.103 -11.122 3.543 1.00 0.00 C ATOM 1389 NE ARG A 83 6.606 -11.493 4.870 1.00 0.00 N ATOM 1390 CZ ARG A 83 7.419 -12.534 5.076 1.00 0.00 C ATOM 1391 NH1 ARG A 83 7.972 -13.182 4.052 1.00 0.00 N ATOM 1392 NH2 ARG A 83 7.669 -12.915 6.319 1.00 0.00 N ATOM 0 H ARG A 83 2.736 -9.500 0.434 1.00 0.00 H new ATOM 0 HA ARG A 83 3.231 -8.529 3.178 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.192 -10.644 1.736 1.00 0.00 H new ATOM 0 HB3 ARG A 83 5.449 -9.440 1.526 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.548 -9.085 3.998 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.253 -10.243 4.229 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.641 -11.994 3.079 1.00 0.00 H new ATOM 0 HD3 ARG A 83 6.942 -10.832 2.911 1.00 0.00 H new ATOM 0 HE ARG A 83 6.322 -10.931 5.672 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.777 -12.886 3.096 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.590 -13.975 4.224 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.244 -12.416 7.101 1.00 0.00 H new ATOM 0 HH22 ARG A 83 8.287 -13.707 6.495 1.00 0.00 H new ATOM 1406 N LYS A 84 3.962 -6.268 2.458 1.00 0.00 N ATOM 1407 CA LYS A 84 4.508 -4.958 2.155 1.00 0.00 C ATOM 1408 C LYS A 84 5.375 -4.520 3.320 1.00 0.00 C ATOM 1409 O LYS A 84 5.429 -5.155 4.378 1.00 0.00 O ATOM 1410 CB LYS A 84 3.414 -3.952 1.724 1.00 0.00 C ATOM 1411 CG LYS A 84 2.734 -3.143 2.837 1.00 0.00 C ATOM 1412 CD LYS A 84 1.835 -3.975 3.731 1.00 0.00 C ATOM 1413 CE LYS A 84 0.553 -4.369 2.984 1.00 0.00 C ATOM 1414 NZ LYS A 84 -0.525 -3.367 3.124 1.00 0.00 N ATOM 0 H LYS A 84 3.491 -6.322 3.361 1.00 0.00 H new ATOM 0 HA LYS A 84 5.152 -5.003 1.276 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.858 -3.250 1.018 1.00 0.00 H new ATOM 0 HB3 LYS A 84 2.642 -4.501 1.185 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.500 -2.667 3.449 1.00 0.00 H new ATOM 0 HG3 LYS A 84 2.145 -2.344 2.386 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.364 -4.871 4.056 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.582 -3.411 4.629 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.781 -4.504 1.927 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.200 -5.330 3.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.008 -3.247 2.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.209 -3.691 3.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.117 -2.458 3.423 1.00 0.00 H new ATOM 1428 N HIS A 85 6.060 -3.420 3.099 1.00 0.00 N ATOM 1429 CA HIS A 85 6.784 -2.647 4.082 1.00 0.00 C ATOM 1430 C HIS A 85 5.996 -1.351 4.129 1.00 0.00 C ATOM 1431 O HIS A 85 5.786 -0.764 3.064 1.00 0.00 O ATOM 1432 CB HIS A 85 8.227 -2.454 3.594 1.00 0.00 C ATOM 1433 CG HIS A 85 9.153 -3.554 4.045 1.00 0.00 C ATOM 1434 ND1 HIS A 85 9.604 -4.616 3.289 1.00 0.00 N ATOM 1435 CD2 HIS A 85 9.735 -3.643 5.281 1.00 0.00 C ATOM 1436 CE1 HIS A 85 10.450 -5.322 4.059 1.00 0.00 C ATOM 1437 NE2 HIS A 85 10.558 -4.772 5.273 1.00 0.00 N ATOM 0 H HIS A 85 6.130 -3.016 2.165 1.00 0.00 H new ATOM 0 HA HIS A 85 6.866 -3.101 5.069 1.00 0.00 H new ATOM 0 HB2 HIS A 85 8.233 -2.405 2.505 1.00 0.00 H new ATOM 0 HB3 HIS A 85 8.603 -1.498 3.958 1.00 0.00 H new ATOM 0 HD2 HIS A 85 9.586 -2.966 6.109 1.00 0.00 H new ATOM 0 HE1 HIS A 85 10.972 -6.212 3.740 1.00 0.00 H new ATOM 0 HE2 HIS A 85 11.131 -5.112 6.045 1.00 0.00 H new ATOM 1445 N TYR A 86 5.494 -0.951 5.297 1.00 0.00 N ATOM 1446 CA TYR A 86 4.722 0.282 5.456 1.00 0.00 C ATOM 1447 C TYR A 86 5.462 1.206 6.406 1.00 0.00 C ATOM 1448 O TYR A 86 6.267 0.725 7.198 1.00 0.00 O ATOM 1449 CB TYR A 86 3.287 0.015 5.941 1.00 0.00 C ATOM 1450 CG TYR A 86 3.135 -0.341 7.413 1.00 0.00 C ATOM 1451 CD1 TYR A 86 3.565 -1.592 7.891 1.00 0.00 C ATOM 1452 CD2 TYR A 86 2.558 0.584 8.309 1.00 0.00 C ATOM 1453 CE1 TYR A 86 3.409 -1.922 9.248 1.00 0.00 C ATOM 1454 CE2 TYR A 86 2.397 0.261 9.668 1.00 0.00 C ATOM 1455 CZ TYR A 86 2.815 -1.003 10.142 1.00 0.00 C ATOM 1456 OH TYR A 86 2.634 -1.366 11.442 1.00 0.00 O ATOM 0 H TYR A 86 5.612 -1.475 6.164 1.00 0.00 H new ATOM 0 HA TYR A 86 4.626 0.759 4.481 1.00 0.00 H new ATOM 0 HB2 TYR A 86 2.685 0.901 5.738 1.00 0.00 H new ATOM 0 HB3 TYR A 86 2.869 -0.797 5.346 1.00 0.00 H new ATOM 0 HD1 TYR A 86 4.016 -2.301 7.213 1.00 0.00 H new ATOM 0 HD2 TYR A 86 2.237 1.550 7.947 1.00 0.00 H new ATOM 0 HE1 TYR A 86 3.745 -2.883 9.609 1.00 0.00 H new ATOM 0 HE2 TYR A 86 1.956 0.976 10.347 1.00 0.00 H new ATOM 0 HH TYR A 86 2.215 -0.628 11.932 1.00 0.00 H new ATOM 1466 N ASN A 87 5.217 2.514 6.347 1.00 0.00 N ATOM 1467 CA ASN A 87 5.833 3.451 7.277 1.00 0.00 C ATOM 1468 C ASN A 87 4.940 4.666 7.459 1.00 0.00 C ATOM 1469 O ASN A 87 4.418 5.194 6.476 1.00 0.00 O ATOM 1470 CB ASN A 87 7.212 3.872 6.763 1.00 0.00 C ATOM 1471 CG ASN A 87 7.995 4.646 7.807 1.00 0.00 C ATOM 1472 OD1 ASN A 87 7.750 4.521 9.002 1.00 0.00 O ATOM 1473 ND2 ASN A 87 8.985 5.413 7.392 1.00 0.00 N ATOM 0 H ASN A 87 4.595 2.946 5.664 1.00 0.00 H new ATOM 0 HA ASN A 87 5.957 2.963 8.243 1.00 0.00 H new ATOM 0 HB2 ASN A 87 7.776 2.986 6.470 1.00 0.00 H new ATOM 0 HB3 ASN A 87 7.094 4.485 5.870 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.561 5.913 8.069 1.00 0.00 H new ATOM 0 HD22 ASN A 87 9.175 5.505 6.394 1.00 0.00 H new ATOM 1480 N LEU A 88 4.765 5.080 8.710 1.00 0.00 N ATOM 1481 CA LEU A 88 3.942 6.200 9.142 1.00 0.00 C ATOM 1482 C LEU A 88 4.857 7.416 9.248 1.00 0.00 C ATOM 1483 O LEU A 88 5.899 7.318 9.904 1.00 0.00 O ATOM 1484 CB LEU A 88 3.319 5.859 10.509 1.00 0.00 C ATOM 1485 CG LEU A 88 2.357 4.650 10.475 1.00 0.00 C ATOM 1486 CD1 LEU A 88 2.057 4.186 11.902 1.00 0.00 C ATOM 1487 CD2 LEU A 88 1.042 4.987 9.771 1.00 0.00 C ATOM 0 H LEU A 88 5.222 4.614 9.494 1.00 0.00 H new ATOM 0 HA LEU A 88 3.133 6.406 8.441 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.119 5.654 11.221 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.779 6.731 10.878 1.00 0.00 H new ATOM 0 HG LEU A 88 2.849 3.856 9.914 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.378 3.334 11.872 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.986 3.894 12.392 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.593 5.000 12.459 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.395 4.110 9.769 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.546 5.803 10.297 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.246 5.289 8.744 1.00 0.00 H new ATOM 1499 N PHE A 89 4.524 8.520 8.576 1.00 0.00 N ATOM 1500 CA PHE A 89 5.391 9.687 8.444 1.00 0.00 C ATOM 1501 C PHE A 89 4.558 10.941 8.174 1.00 0.00 C ATOM 1502 O PHE A 89 3.492 11.132 8.793 1.00 0.00 O ATOM 1503 CB PHE A 89 6.461 9.422 7.360 1.00 0.00 C ATOM 1504 CG PHE A 89 5.961 9.500 5.927 1.00 0.00 C ATOM 1505 CD1 PHE A 89 5.010 8.581 5.456 1.00 0.00 C ATOM 1506 CD2 PHE A 89 6.383 10.548 5.086 1.00 0.00 C ATOM 1507 CE1 PHE A 89 4.436 8.757 4.189 1.00 0.00 C ATOM 1508 CE2 PHE A 89 5.840 10.694 3.798 1.00 0.00 C ATOM 1509 CZ PHE A 89 4.856 9.801 3.349 1.00 0.00 C ATOM 0 H PHE A 89 3.628 8.627 8.101 1.00 0.00 H new ATOM 0 HA PHE A 89 5.921 9.866 9.379 1.00 0.00 H new ATOM 0 HB2 PHE A 89 7.269 10.142 7.486 1.00 0.00 H new ATOM 0 HB3 PHE A 89 6.887 8.433 7.526 1.00 0.00 H new ATOM 0 HD1 PHE A 89 4.721 7.740 6.069 1.00 0.00 H new ATOM 0 HD2 PHE A 89 7.130 11.246 5.434 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.662 8.082 3.855 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.180 11.492 3.155 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.425 9.915 2.365 1.00 0.00 H new TER 1519 PHE A 89