USER MOD reduce.3.24.130724 H: found=0, std=0, add=762, rem=0, adj=24 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 180:sc= -0.0567 USER MOD Set 1.2: A 67 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 17 SER OG : rot 60:sc= 0.305 USER MOD Set 2.2: A 20 LYS NZ :NH3+ 158:sc= -0.0903 (180deg=-0.836) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -126:sc= 1.29 (180deg=-0.0639) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 174:sc= 1.22 (180deg=1.22) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -168:sc= 1.38 (180deg=1.35) 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 149:sc= 0.975 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0266 USER MOD Single : A 38 ASN : amide:sc= -0.158 X(o=-0.16,f=-0.016) USER MOD Single : A 41 CYS SG : rot 180:sc= -0.364 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00905) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -49:sc= 1.21 USER MOD Single : A 56 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00989) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -123:sc= 0.371 (180deg=-0.00974) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 CYS SG : rot -150:sc= -0.567 USER MOD Single : A 77 LYS NZ :NH3+ 172:sc= -0.298 (180deg=-0.528) USER MOD Single : A 84 LYS NZ :NH3+ 139:sc= 0.0766 (180deg=-0.131) USER MOD Single : A 85 HIS : no HD1:sc= -0.799 K(o=-0.8,f=-2.3) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.102 K(o=-0.1,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.069 14.536 -2.783 1.00 0.00 N ATOM 2 CA MET A 1 -2.515 14.763 -2.926 1.00 0.00 C ATOM 3 C MET A 1 -3.180 13.478 -3.379 1.00 0.00 C ATOM 4 O MET A 1 -2.776 12.897 -4.391 1.00 0.00 O ATOM 5 CB MET A 1 -2.867 15.898 -3.897 1.00 0.00 C ATOM 6 CG MET A 1 -2.797 17.260 -3.208 1.00 0.00 C ATOM 7 SD MET A 1 -3.245 18.643 -4.282 1.00 0.00 S ATOM 8 CE MET A 1 -3.238 19.980 -3.054 1.00 0.00 C ATOM 0 H1 MET A 1 -0.609 15.415 -2.472 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.903 13.790 -2.078 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.672 14.242 -3.698 1.00 0.00 H new ATOM 0 HA MET A 1 -2.885 15.071 -1.948 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.181 15.881 -4.744 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.869 15.741 -4.296 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.460 17.254 -2.343 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.785 17.416 -2.833 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.495 20.921 -3.540 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.968 19.762 -2.275 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.246 20.060 -2.609 1.00 0.00 H new ATOM 18 N GLU A 2 -4.226 13.074 -2.654 1.00 0.00 N ATOM 19 CA GLU A 2 -4.896 11.783 -2.777 1.00 0.00 C ATOM 20 C GLU A 2 -3.898 10.617 -2.648 1.00 0.00 C ATOM 21 O GLU A 2 -2.767 10.811 -2.199 1.00 0.00 O ATOM 22 CB GLU A 2 -5.761 11.748 -4.057 1.00 0.00 C ATOM 23 CG GLU A 2 -7.180 11.237 -3.776 1.00 0.00 C ATOM 24 CD GLU A 2 -8.020 12.289 -3.039 1.00 0.00 C ATOM 25 OE1 GLU A 2 -8.701 13.104 -3.709 1.00 0.00 O ATOM 26 OE2 GLU A 2 -8.034 12.298 -1.788 1.00 0.00 O ATOM 0 H GLU A 2 -4.645 13.665 -1.936 1.00 0.00 H new ATOM 0 HA GLU A 2 -5.586 11.651 -1.944 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -5.814 12.748 -4.487 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -5.285 11.107 -4.799 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.666 10.974 -4.716 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -7.129 10.327 -3.178 1.00 0.00 H new ATOM 33 N VAL A 3 -4.331 9.387 -2.942 1.00 0.00 N ATOM 34 CA VAL A 3 -3.465 8.214 -2.920 1.00 0.00 C ATOM 35 C VAL A 3 -2.598 8.223 -4.184 1.00 0.00 C ATOM 36 O VAL A 3 -3.079 7.959 -5.290 1.00 0.00 O ATOM 37 CB VAL A 3 -4.281 6.922 -2.685 1.00 0.00 C ATOM 38 CG1 VAL A 3 -5.460 6.697 -3.625 1.00 0.00 C ATOM 39 CG2 VAL A 3 -3.371 5.688 -2.680 1.00 0.00 C ATOM 0 H VAL A 3 -5.296 9.181 -3.202 1.00 0.00 H new ATOM 0 HA VAL A 3 -2.780 8.245 -2.073 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.728 7.072 -1.702 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.958 5.762 -3.367 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.165 7.522 -3.528 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.101 6.645 -4.653 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.971 4.794 -2.513 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.861 5.608 -3.640 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.633 5.784 -1.884 1.00 0.00 H new ATOM 49 N LYS A 4 -1.321 8.568 -4.025 1.00 0.00 N ATOM 50 CA LYS A 4 -0.333 8.461 -5.086 1.00 0.00 C ATOM 51 C LYS A 4 0.046 6.988 -5.246 1.00 0.00 C ATOM 52 O LYS A 4 0.292 6.324 -4.240 1.00 0.00 O ATOM 53 CB LYS A 4 0.903 9.297 -4.726 1.00 0.00 C ATOM 54 CG LYS A 4 1.657 9.653 -6.007 1.00 0.00 C ATOM 55 CD LYS A 4 3.055 10.206 -5.753 1.00 0.00 C ATOM 56 CE LYS A 4 3.591 10.682 -7.100 1.00 0.00 C ATOM 57 NZ LYS A 4 5.030 10.991 -7.072 1.00 0.00 N ATOM 0 H LYS A 4 -0.945 8.931 -3.149 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.740 8.837 -6.024 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.603 10.204 -4.202 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.551 8.738 -4.051 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.734 8.764 -6.633 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.080 10.388 -6.567 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.022 11.028 -5.038 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.703 9.439 -5.328 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.405 9.914 -7.850 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.041 11.570 -7.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.184 11.957 -7.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.382 10.917 -6.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.542 10.317 -7.676 1.00 0.00 H new ATOM 71 N ILE A 5 0.151 6.504 -6.484 1.00 0.00 N ATOM 72 CA ILE A 5 0.706 5.200 -6.838 1.00 0.00 C ATOM 73 C ILE A 5 1.618 5.431 -8.042 1.00 0.00 C ATOM 74 O ILE A 5 1.263 6.218 -8.923 1.00 0.00 O ATOM 75 CB ILE A 5 -0.417 4.175 -7.156 1.00 0.00 C ATOM 76 CG1 ILE A 5 -1.432 4.050 -5.997 1.00 0.00 C ATOM 77 CG2 ILE A 5 0.186 2.792 -7.473 1.00 0.00 C ATOM 78 CD1 ILE A 5 -2.624 3.131 -6.287 1.00 0.00 C ATOM 0 H ILE A 5 -0.161 7.032 -7.299 1.00 0.00 H new ATOM 0 HA ILE A 5 1.267 4.774 -6.006 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.951 4.546 -8.031 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.911 3.679 -5.114 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.808 5.044 -5.752 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -0.616 2.087 -7.693 1.00 0.00 H new ATOM 0 HG22 ILE A 5 0.846 2.872 -8.337 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.755 2.437 -6.613 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.282 3.104 -5.419 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.174 3.510 -7.148 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.264 2.125 -6.500 1.00 0.00 H new ATOM 90 N GLU A 6 2.776 4.769 -8.080 1.00 0.00 N ATOM 91 CA GLU A 6 3.630 4.554 -9.243 1.00 0.00 C ATOM 92 C GLU A 6 4.645 3.451 -8.912 1.00 0.00 C ATOM 93 O GLU A 6 4.707 2.987 -7.773 1.00 0.00 O ATOM 94 CB GLU A 6 4.319 5.849 -9.697 1.00 0.00 C ATOM 95 CG GLU A 6 4.978 6.701 -8.601 1.00 0.00 C ATOM 96 CD GLU A 6 5.437 8.091 -9.075 1.00 0.00 C ATOM 97 OE1 GLU A 6 5.102 8.561 -10.193 1.00 0.00 O ATOM 98 OE2 GLU A 6 6.055 8.809 -8.260 1.00 0.00 O ATOM 0 H GLU A 6 3.166 4.341 -7.240 1.00 0.00 H new ATOM 0 HA GLU A 6 3.015 4.235 -10.084 1.00 0.00 H new ATOM 0 HB2 GLU A 6 5.082 5.589 -10.431 1.00 0.00 H new ATOM 0 HB3 GLU A 6 3.581 6.466 -10.209 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.273 6.824 -7.779 1.00 0.00 H new ATOM 0 HG3 GLU A 6 5.839 6.162 -8.205 1.00 0.00 H new ATOM 105 N LYS A 7 5.459 3.039 -9.891 1.00 0.00 N ATOM 106 CA LYS A 7 6.527 2.059 -9.706 1.00 0.00 C ATOM 107 C LYS A 7 7.873 2.782 -9.679 1.00 0.00 C ATOM 108 O LYS A 7 8.434 3.001 -10.760 1.00 0.00 O ATOM 109 CB LYS A 7 6.524 0.924 -10.750 1.00 0.00 C ATOM 110 CG LYS A 7 5.189 0.194 -10.947 1.00 0.00 C ATOM 111 CD LYS A 7 4.243 0.934 -11.911 1.00 0.00 C ATOM 112 CE LYS A 7 3.459 -0.068 -12.768 1.00 0.00 C ATOM 113 NZ LYS A 7 3.059 0.501 -14.069 1.00 0.00 N ATOM 0 H LYS A 7 5.390 3.385 -10.848 1.00 0.00 H new ATOM 0 HA LYS A 7 6.347 1.564 -8.752 1.00 0.00 H new ATOM 0 HB2 LYS A 7 6.833 1.339 -11.709 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.277 0.191 -10.462 1.00 0.00 H new ATOM 0 HG2 LYS A 7 5.381 -0.808 -11.331 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.698 0.077 -9.981 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.551 1.557 -11.344 1.00 0.00 H new ATOM 0 HD3 LYS A 7 4.818 1.600 -12.554 1.00 0.00 H new ATOM 0 HE2 LYS A 7 4.069 -0.956 -12.934 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.570 -0.389 -12.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.532 -0.212 -14.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.455 1.333 -13.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.907 0.784 -14.600 1.00 0.00 H new ATOM 127 N PRO A 8 8.351 3.289 -8.533 1.00 0.00 N ATOM 128 CA PRO A 8 9.612 4.012 -8.489 1.00 0.00 C ATOM 129 C PRO A 8 10.780 3.100 -8.863 1.00 0.00 C ATOM 130 O PRO A 8 10.652 1.875 -8.961 1.00 0.00 O ATOM 131 CB PRO A 8 9.730 4.540 -7.061 1.00 0.00 C ATOM 132 CG PRO A 8 8.926 3.538 -6.247 1.00 0.00 C ATOM 133 CD PRO A 8 7.800 3.141 -7.198 1.00 0.00 C ATOM 0 HA PRO A 8 9.640 4.829 -9.210 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.769 4.583 -6.733 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.325 5.548 -6.971 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.530 2.678 -5.956 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.540 3.982 -5.329 1.00 0.00 H new ATOM 0 HD2 PRO A 8 7.477 2.116 -7.018 1.00 0.00 H new ATOM 0 HD3 PRO A 8 6.927 3.779 -7.061 1.00 0.00 H new ATOM 141 N THR A 9 11.938 3.705 -9.096 1.00 0.00 N ATOM 142 CA THR A 9 13.152 2.966 -9.389 1.00 0.00 C ATOM 143 C THR A 9 13.619 2.228 -8.119 1.00 0.00 C ATOM 144 O THR A 9 13.570 2.801 -7.022 1.00 0.00 O ATOM 145 CB THR A 9 14.178 3.938 -9.991 1.00 0.00 C ATOM 146 OG1 THR A 9 15.421 3.321 -10.221 1.00 0.00 O ATOM 147 CG2 THR A 9 14.442 5.169 -9.134 1.00 0.00 C ATOM 0 H THR A 9 12.058 4.718 -9.087 1.00 0.00 H new ATOM 0 HA THR A 9 12.994 2.186 -10.134 1.00 0.00 H new ATOM 0 HB THR A 9 13.717 4.250 -10.928 1.00 0.00 H new ATOM 0 HG1 THR A 9 16.044 3.973 -10.605 1.00 0.00 H new ATOM 0 HG21 THR A 9 15.177 5.805 -9.627 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.514 5.724 -8.999 1.00 0.00 H new ATOM 0 HG23 THR A 9 14.824 4.860 -8.161 1.00 0.00 H new ATOM 155 N PRO A 10 14.174 1.004 -8.234 1.00 0.00 N ATOM 156 CA PRO A 10 14.697 0.285 -7.081 1.00 0.00 C ATOM 157 C PRO A 10 15.921 0.957 -6.457 1.00 0.00 C ATOM 158 O PRO A 10 16.182 0.711 -5.283 1.00 0.00 O ATOM 159 CB PRO A 10 14.960 -1.152 -7.537 1.00 0.00 C ATOM 160 CG PRO A 10 15.059 -1.047 -9.055 1.00 0.00 C ATOM 161 CD PRO A 10 14.129 0.121 -9.389 1.00 0.00 C ATOM 0 HA PRO A 10 13.968 0.292 -6.270 1.00 0.00 H new ATOM 0 HB2 PRO A 10 15.879 -1.546 -7.104 1.00 0.00 H new ATOM 0 HB3 PRO A 10 14.153 -1.820 -7.235 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.081 -0.852 -9.379 1.00 0.00 H new ATOM 0 HG3 PRO A 10 14.740 -1.968 -9.543 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.458 0.638 -10.290 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.113 -0.228 -9.575 1.00 0.00 H new ATOM 169 N GLU A 11 16.631 1.840 -7.172 1.00 0.00 N ATOM 170 CA GLU A 11 17.690 2.641 -6.558 1.00 0.00 C ATOM 171 C GLU A 11 17.102 3.494 -5.433 1.00 0.00 C ATOM 172 O GLU A 11 17.610 3.516 -4.316 1.00 0.00 O ATOM 173 CB GLU A 11 18.382 3.564 -7.572 1.00 0.00 C ATOM 174 CG GLU A 11 18.934 2.858 -8.814 1.00 0.00 C ATOM 175 CD GLU A 11 20.280 3.444 -9.244 1.00 0.00 C ATOM 176 OE1 GLU A 11 20.393 4.673 -9.456 1.00 0.00 O ATOM 177 OE2 GLU A 11 21.259 2.659 -9.285 1.00 0.00 O ATOM 0 H GLU A 11 16.491 2.014 -8.167 1.00 0.00 H new ATOM 0 HA GLU A 11 18.436 1.948 -6.168 1.00 0.00 H new ATOM 0 HB2 GLU A 11 17.672 4.327 -7.891 1.00 0.00 H new ATOM 0 HB3 GLU A 11 19.201 4.081 -7.071 1.00 0.00 H new ATOM 0 HG2 GLU A 11 19.049 1.794 -8.607 1.00 0.00 H new ATOM 0 HG3 GLU A 11 18.219 2.948 -9.632 1.00 0.00 H new ATOM 184 N LYS A 12 15.985 4.174 -5.704 1.00 0.00 N ATOM 185 CA LYS A 12 15.367 5.052 -4.724 1.00 0.00 C ATOM 186 C LYS A 12 14.860 4.249 -3.536 1.00 0.00 C ATOM 187 O LYS A 12 14.961 4.692 -2.394 1.00 0.00 O ATOM 188 CB LYS A 12 14.227 5.840 -5.392 1.00 0.00 C ATOM 189 CG LYS A 12 13.801 7.055 -4.564 1.00 0.00 C ATOM 190 CD LYS A 12 14.865 8.150 -4.662 1.00 0.00 C ATOM 191 CE LYS A 12 14.615 9.260 -3.654 1.00 0.00 C ATOM 192 NZ LYS A 12 15.798 10.129 -3.557 1.00 0.00 N ATOM 0 H LYS A 12 15.494 4.129 -6.597 1.00 0.00 H new ATOM 0 HA LYS A 12 16.108 5.759 -4.351 1.00 0.00 H new ATOM 0 HB2 LYS A 12 14.546 6.170 -6.380 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.370 5.183 -5.537 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.844 7.433 -4.923 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.660 6.765 -3.523 1.00 0.00 H new ATOM 0 HD2 LYS A 12 15.851 7.717 -4.492 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.869 8.566 -5.670 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.747 9.846 -3.955 1.00 0.00 H new ATOM 0 HE3 LYS A 12 14.388 8.831 -2.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 15.583 10.941 -2.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 16.592 9.591 -3.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 16.057 10.470 -4.505 1.00 0.00 H new ATOM 206 N LEU A 13 14.333 3.058 -3.800 1.00 0.00 N ATOM 207 CA LEU A 13 13.856 2.162 -2.764 1.00 0.00 C ATOM 208 C LEU A 13 15.001 1.619 -1.907 1.00 0.00 C ATOM 209 O LEU A 13 14.763 1.270 -0.749 1.00 0.00 O ATOM 210 CB LEU A 13 13.092 1.008 -3.402 1.00 0.00 C ATOM 211 CG LEU A 13 11.735 1.433 -4.001 1.00 0.00 C ATOM 212 CD1 LEU A 13 11.278 0.421 -5.052 1.00 0.00 C ATOM 213 CD2 LEU A 13 10.668 1.563 -2.907 1.00 0.00 C ATOM 0 H LEU A 13 14.226 2.689 -4.745 1.00 0.00 H new ATOM 0 HA LEU A 13 13.196 2.729 -2.108 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.705 0.565 -4.187 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.925 0.234 -2.653 1.00 0.00 H new ATOM 0 HG LEU A 13 11.866 2.406 -4.474 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.319 0.734 -5.466 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.018 0.367 -5.851 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.171 -0.560 -4.590 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.721 1.864 -3.356 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.543 0.604 -2.405 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.980 2.314 -2.182 1.00 0.00 H new ATOM 225 N LYS A 14 16.225 1.521 -2.434 1.00 0.00 N ATOM 226 CA LYS A 14 17.399 1.241 -1.618 1.00 0.00 C ATOM 227 C LYS A 14 17.643 2.393 -0.652 1.00 0.00 C ATOM 228 O LYS A 14 17.823 2.161 0.541 1.00 0.00 O ATOM 229 CB LYS A 14 18.634 0.998 -2.504 1.00 0.00 C ATOM 230 CG LYS A 14 19.002 -0.483 -2.565 1.00 0.00 C ATOM 231 CD LYS A 14 18.139 -1.209 -3.596 1.00 0.00 C ATOM 232 CE LYS A 14 18.603 -2.652 -3.778 1.00 0.00 C ATOM 233 NZ LYS A 14 17.883 -3.297 -4.896 1.00 0.00 N ATOM 0 H LYS A 14 16.424 1.633 -3.428 1.00 0.00 H new ATOM 0 HA LYS A 14 17.219 0.333 -1.042 1.00 0.00 H new ATOM 0 HB2 LYS A 14 18.438 1.366 -3.511 1.00 0.00 H new ATOM 0 HB3 LYS A 14 19.478 1.567 -2.115 1.00 0.00 H new ATOM 0 HG2 LYS A 14 20.055 -0.591 -2.823 1.00 0.00 H new ATOM 0 HG3 LYS A 14 18.866 -0.938 -1.584 1.00 0.00 H new ATOM 0 HD2 LYS A 14 17.097 -1.196 -3.277 1.00 0.00 H new ATOM 0 HD3 LYS A 14 18.187 -0.684 -4.550 1.00 0.00 H new ATOM 0 HE2 LYS A 14 19.676 -2.672 -3.970 1.00 0.00 H new ATOM 0 HE3 LYS A 14 18.433 -3.212 -2.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 18.214 -4.277 -5.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 16.862 -3.296 -4.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 18.066 -2.773 -5.775 1.00 0.00 H new ATOM 247 N GLU A 15 17.596 3.633 -1.147 1.00 0.00 N ATOM 248 CA GLU A 15 17.896 4.815 -0.329 1.00 0.00 C ATOM 249 C GLU A 15 16.919 4.882 0.842 1.00 0.00 C ATOM 250 O GLU A 15 17.316 4.998 2.004 1.00 0.00 O ATOM 251 CB GLU A 15 17.788 6.125 -1.122 1.00 0.00 C ATOM 252 CG GLU A 15 18.736 6.251 -2.316 1.00 0.00 C ATOM 253 CD GLU A 15 18.627 7.615 -3.007 1.00 0.00 C ATOM 254 OE1 GLU A 15 17.854 8.505 -2.572 1.00 0.00 O ATOM 255 OE2 GLU A 15 19.334 7.834 -4.018 1.00 0.00 O ATOM 0 H GLU A 15 17.352 3.846 -2.114 1.00 0.00 H new ATOM 0 HA GLU A 15 18.925 4.711 0.016 1.00 0.00 H new ATOM 0 HB2 GLU A 15 16.764 6.229 -1.481 1.00 0.00 H new ATOM 0 HB3 GLU A 15 17.974 6.957 -0.443 1.00 0.00 H new ATOM 0 HG2 GLU A 15 19.762 6.098 -1.980 1.00 0.00 H new ATOM 0 HG3 GLU A 15 18.516 5.463 -3.036 1.00 0.00 H new ATOM 262 N LEU A 16 15.631 4.730 0.518 1.00 0.00 N ATOM 263 CA LEU A 16 14.513 4.682 1.453 1.00 0.00 C ATOM 264 C LEU A 16 14.686 3.611 2.529 1.00 0.00 C ATOM 265 O LEU A 16 13.982 3.678 3.531 1.00 0.00 O ATOM 266 CB LEU A 16 13.206 4.444 0.670 1.00 0.00 C ATOM 267 CG LEU A 16 12.352 5.701 0.459 1.00 0.00 C ATOM 268 CD1 LEU A 16 13.105 6.849 -0.216 1.00 0.00 C ATOM 269 CD2 LEU A 16 11.135 5.350 -0.404 1.00 0.00 C ATOM 0 H LEU A 16 15.330 4.633 -0.452 1.00 0.00 H new ATOM 0 HA LEU A 16 14.475 5.640 1.971 1.00 0.00 H new ATOM 0 HB2 LEU A 16 13.453 4.020 -0.304 1.00 0.00 H new ATOM 0 HB3 LEU A 16 12.610 3.700 1.200 1.00 0.00 H new ATOM 0 HG LEU A 16 12.060 6.042 1.452 1.00 0.00 H new ATOM 0 HD11 LEU A 16 12.438 7.703 -0.332 1.00 0.00 H new ATOM 0 HD12 LEU A 16 13.958 7.136 0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 16 13.456 6.527 -1.196 1.00 0.00 H new ATOM 0 HD21 LEU A 16 10.527 6.242 -0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 16 11.471 4.972 -1.370 1.00 0.00 H new ATOM 0 HD23 LEU A 16 10.541 4.586 0.098 1.00 0.00 H new ATOM 281 N SER A 17 15.618 2.665 2.357 1.00 0.00 N ATOM 282 CA SER A 17 15.960 1.646 3.332 1.00 0.00 C ATOM 283 C SER A 17 14.712 0.891 3.786 1.00 0.00 C ATOM 284 O SER A 17 14.528 0.640 4.976 1.00 0.00 O ATOM 285 CB SER A 17 16.712 2.299 4.492 1.00 0.00 C ATOM 286 OG SER A 17 17.961 2.840 4.094 1.00 0.00 O ATOM 0 H SER A 17 16.169 2.594 1.501 1.00 0.00 H new ATOM 0 HA SER A 17 16.617 0.902 2.882 1.00 0.00 H new ATOM 0 HB2 SER A 17 16.097 3.091 4.920 1.00 0.00 H new ATOM 0 HB3 SER A 17 16.873 1.561 5.278 1.00 0.00 H new ATOM 0 HG SER A 17 17.817 3.527 3.410 1.00 0.00 H new ATOM 292 N VAL A 18 13.862 0.513 2.828 1.00 0.00 N ATOM 293 CA VAL A 18 12.580 -0.138 3.077 1.00 0.00 C ATOM 294 C VAL A 18 12.779 -1.424 3.899 1.00 0.00 C ATOM 295 O VAL A 18 11.961 -1.755 4.748 1.00 0.00 O ATOM 296 CB VAL A 18 11.866 -0.356 1.724 1.00 0.00 C ATOM 297 CG1 VAL A 18 10.474 -0.954 1.880 1.00 0.00 C ATOM 298 CG2 VAL A 18 11.708 0.952 0.930 1.00 0.00 C ATOM 0 H VAL A 18 14.053 0.656 1.836 1.00 0.00 H new ATOM 0 HA VAL A 18 11.932 0.492 3.686 1.00 0.00 H new ATOM 0 HB VAL A 18 12.511 -1.052 1.187 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.022 -1.084 0.897 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.547 -1.921 2.377 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.855 -0.285 2.478 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.201 0.746 -0.013 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.120 1.662 1.511 1.00 0.00 H new ATOM 0 HG23 VAL A 18 12.692 1.376 0.728 1.00 0.00 H new ATOM 308 N GLU A 19 13.917 -2.104 3.729 1.00 0.00 N ATOM 309 CA GLU A 19 14.429 -3.185 4.574 1.00 0.00 C ATOM 310 C GLU A 19 14.335 -2.911 6.086 1.00 0.00 C ATOM 311 O GLU A 19 14.130 -3.848 6.860 1.00 0.00 O ATOM 312 CB GLU A 19 15.891 -3.471 4.170 1.00 0.00 C ATOM 313 CG GLU A 19 16.760 -2.198 4.137 1.00 0.00 C ATOM 314 CD GLU A 19 18.240 -2.479 3.914 1.00 0.00 C ATOM 315 OE1 GLU A 19 18.593 -3.031 2.845 1.00 0.00 O ATOM 316 OE2 GLU A 19 19.054 -2.018 4.739 1.00 0.00 O ATOM 0 H GLU A 19 14.543 -1.901 2.950 1.00 0.00 H new ATOM 0 HA GLU A 19 13.792 -4.053 4.404 1.00 0.00 H new ATOM 0 HB2 GLU A 19 16.325 -4.184 4.872 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.906 -3.942 3.187 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.399 -1.542 3.345 1.00 0.00 H new ATOM 0 HG3 GLU A 19 16.638 -1.660 5.077 1.00 0.00 H new ATOM 323 N LYS A 20 14.500 -1.666 6.541 1.00 0.00 N ATOM 324 CA LYS A 20 14.491 -1.323 7.961 1.00 0.00 C ATOM 325 C LYS A 20 13.073 -1.126 8.476 1.00 0.00 C ATOM 326 O LYS A 20 12.856 -1.284 9.677 1.00 0.00 O ATOM 327 CB LYS A 20 15.301 -0.043 8.220 1.00 0.00 C ATOM 328 CG LYS A 20 16.766 -0.171 7.777 1.00 0.00 C ATOM 329 CD LYS A 20 17.678 0.891 8.404 1.00 0.00 C ATOM 330 CE LYS A 20 17.253 2.331 8.075 1.00 0.00 C ATOM 331 NZ LYS A 20 18.201 3.027 7.182 1.00 0.00 N ATOM 0 H LYS A 20 14.644 -0.864 5.928 1.00 0.00 H new ATOM 0 HA LYS A 20 14.948 -2.157 8.494 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.837 0.789 7.691 1.00 0.00 H new ATOM 0 HB3 LYS A 20 15.266 0.196 9.283 1.00 0.00 H new ATOM 0 HG2 LYS A 20 17.135 -1.161 8.043 1.00 0.00 H new ATOM 0 HG3 LYS A 20 16.819 -0.092 6.691 1.00 0.00 H new ATOM 0 HD2 LYS A 20 17.685 0.760 9.486 1.00 0.00 H new ATOM 0 HD3 LYS A 20 18.699 0.733 8.057 1.00 0.00 H new ATOM 0 HE2 LYS A 20 16.268 2.315 7.607 1.00 0.00 H new ATOM 0 HE3 LYS A 20 17.156 2.895 9.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 17.715 3.812 6.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 18.994 3.401 7.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 18.563 2.359 6.472 1.00 0.00 H new ATOM 345 N TRP A 21 12.120 -0.806 7.601 1.00 0.00 N ATOM 346 CA TRP A 21 10.766 -0.418 7.973 1.00 0.00 C ATOM 347 C TRP A 21 10.052 -1.601 8.652 1.00 0.00 C ATOM 348 O TRP A 21 10.506 -2.747 8.518 1.00 0.00 O ATOM 349 CB TRP A 21 10.025 0.036 6.705 1.00 0.00 C ATOM 350 CG TRP A 21 10.581 1.228 5.977 1.00 0.00 C ATOM 351 CD1 TRP A 21 11.730 1.886 6.265 1.00 0.00 C ATOM 352 CD2 TRP A 21 10.017 1.920 4.819 1.00 0.00 C ATOM 353 NE1 TRP A 21 11.922 2.904 5.367 1.00 0.00 N ATOM 354 CE2 TRP A 21 10.878 3.003 4.476 1.00 0.00 C ATOM 355 CE3 TRP A 21 8.853 1.758 4.035 1.00 0.00 C ATOM 356 CZ2 TRP A 21 10.591 3.894 3.433 1.00 0.00 C ATOM 357 CZ3 TRP A 21 8.538 2.665 3.003 1.00 0.00 C ATOM 358 CH2 TRP A 21 9.397 3.741 2.708 1.00 0.00 C ATOM 0 H TRP A 21 12.274 -0.810 6.593 1.00 0.00 H new ATOM 0 HA TRP A 21 10.784 0.406 8.686 1.00 0.00 H new ATOM 0 HB2 TRP A 21 9.999 -0.803 6.010 1.00 0.00 H new ATOM 0 HB3 TRP A 21 8.993 0.257 6.977 1.00 0.00 H new ATOM 0 HD1 TRP A 21 12.395 1.644 7.081 1.00 0.00 H new ATOM 0 HE1 TRP A 21 12.739 3.514 5.360 1.00 0.00 H new ATOM 0 HE3 TRP A 21 8.193 0.925 4.230 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 11.280 4.689 3.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 7.630 2.533 2.434 1.00 0.00 H new ATOM 0 HH2 TRP A 21 9.140 4.444 1.930 1.00 0.00 H new ATOM 369 N PRO A 22 8.926 -1.401 9.353 1.00 0.00 N ATOM 370 CA PRO A 22 8.136 -2.521 9.843 1.00 0.00 C ATOM 371 C PRO A 22 7.523 -3.293 8.663 1.00 0.00 C ATOM 372 O PRO A 22 7.071 -2.712 7.669 1.00 0.00 O ATOM 373 CB PRO A 22 7.097 -1.905 10.784 1.00 0.00 C ATOM 374 CG PRO A 22 6.930 -0.482 10.252 1.00 0.00 C ATOM 375 CD PRO A 22 8.337 -0.136 9.770 1.00 0.00 C ATOM 0 HA PRO A 22 8.726 -3.261 10.384 1.00 0.00 H new ATOM 0 HB2 PRO A 22 6.157 -2.456 10.759 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.441 -1.909 11.818 1.00 0.00 H new ATOM 0 HG2 PRO A 22 6.202 -0.435 9.442 1.00 0.00 H new ATOM 0 HG3 PRO A 22 6.588 0.203 11.028 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.305 0.574 8.943 1.00 0.00 H new ATOM 0 HD3 PRO A 22 8.922 0.326 10.565 1.00 0.00 H new ATOM 383 N ILE A 23 7.514 -4.623 8.767 1.00 0.00 N ATOM 384 CA ILE A 23 6.704 -5.491 7.921 1.00 0.00 C ATOM 385 C ILE A 23 5.301 -5.483 8.521 1.00 0.00 C ATOM 386 O ILE A 23 5.136 -5.360 9.740 1.00 0.00 O ATOM 387 CB ILE A 23 7.309 -6.922 7.879 1.00 0.00 C ATOM 388 CG1 ILE A 23 8.597 -6.927 7.024 1.00 0.00 C ATOM 389 CG2 ILE A 23 6.323 -7.973 7.317 1.00 0.00 C ATOM 390 CD1 ILE A 23 9.532 -8.107 7.306 1.00 0.00 C ATOM 0 H ILE A 23 8.077 -5.130 9.450 1.00 0.00 H new ATOM 0 HA ILE A 23 6.676 -5.142 6.889 1.00 0.00 H new ATOM 0 HB ILE A 23 7.533 -7.198 8.909 1.00 0.00 H new ATOM 0 HG12 ILE A 23 8.320 -6.941 5.970 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.140 -5.998 7.199 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.800 -8.953 7.311 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.431 -8.007 7.943 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.042 -7.701 6.300 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.411 -8.036 6.665 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.842 -8.084 8.351 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.010 -9.042 7.103 1.00 0.00 H new ATOM 402 N TRP A 24 4.293 -5.695 7.680 1.00 0.00 N ATOM 403 CA TRP A 24 3.010 -6.213 8.124 1.00 0.00 C ATOM 404 C TRP A 24 2.500 -7.203 7.070 1.00 0.00 C ATOM 405 O TRP A 24 2.780 -7.055 5.874 1.00 0.00 O ATOM 406 CB TRP A 24 2.084 -5.023 8.391 1.00 0.00 C ATOM 407 CG TRP A 24 0.706 -5.317 8.877 1.00 0.00 C ATOM 408 CD1 TRP A 24 0.279 -5.292 10.159 1.00 0.00 C ATOM 409 CD2 TRP A 24 -0.468 -5.593 8.070 1.00 0.00 C ATOM 410 NE1 TRP A 24 -1.087 -5.501 10.188 1.00 0.00 N ATOM 411 CE2 TRP A 24 -1.611 -5.609 8.916 1.00 0.00 C ATOM 412 CE3 TRP A 24 -0.663 -5.797 6.693 1.00 0.00 C ATOM 413 CZ2 TRP A 24 -2.911 -5.719 8.402 1.00 0.00 C ATOM 414 CZ3 TRP A 24 -1.963 -5.916 6.165 1.00 0.00 C ATOM 415 CH2 TRP A 24 -3.084 -5.850 7.013 1.00 0.00 C ATOM 0 H TRP A 24 4.345 -5.513 6.678 1.00 0.00 H new ATOM 0 HA TRP A 24 3.072 -6.770 9.059 1.00 0.00 H new ATOM 0 HB2 TRP A 24 2.568 -4.378 9.124 1.00 0.00 H new ATOM 0 HB3 TRP A 24 2.000 -4.449 7.468 1.00 0.00 H new ATOM 0 HD1 TRP A 24 0.906 -5.134 11.024 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -1.639 -5.567 11.043 1.00 0.00 H new ATOM 0 HE3 TRP A 24 0.191 -5.863 6.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -3.765 -5.703 9.062 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -2.100 -6.059 5.103 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -4.079 -5.900 6.596 1.00 0.00 H new ATOM 426 N GLU A 25 1.768 -8.222 7.515 1.00 0.00 N ATOM 427 CA GLU A 25 1.202 -9.306 6.712 1.00 0.00 C ATOM 428 C GLU A 25 -0.163 -9.687 7.276 1.00 0.00 C ATOM 429 O GLU A 25 -0.418 -9.430 8.453 1.00 0.00 O ATOM 430 CB GLU A 25 2.113 -10.517 6.630 1.00 0.00 C ATOM 431 CG GLU A 25 2.660 -10.997 7.969 1.00 0.00 C ATOM 432 CD GLU A 25 2.217 -12.399 8.421 1.00 0.00 C ATOM 433 OE1 GLU A 25 1.863 -13.269 7.592 1.00 0.00 O ATOM 434 OE2 GLU A 25 2.254 -12.662 9.645 1.00 0.00 O ATOM 0 H GLU A 25 1.540 -8.320 8.504 1.00 0.00 H new ATOM 0 HA GLU A 25 1.093 -8.943 5.690 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.565 -11.335 6.163 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.951 -10.280 5.975 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.749 -10.981 7.920 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.365 -10.281 8.736 1.00 0.00 H new ATOM 441 N LYS A 26 -1.032 -10.293 6.462 1.00 0.00 N ATOM 442 CA LYS A 26 -2.407 -10.602 6.839 1.00 0.00 C ATOM 443 C LYS A 26 -2.930 -11.838 6.102 1.00 0.00 C ATOM 444 O LYS A 26 -2.320 -12.289 5.130 1.00 0.00 O ATOM 445 CB LYS A 26 -3.258 -9.368 6.517 1.00 0.00 C ATOM 446 CG LYS A 26 -4.250 -9.070 7.644 1.00 0.00 C ATOM 447 CD LYS A 26 -5.608 -8.758 7.041 1.00 0.00 C ATOM 448 CE LYS A 26 -6.555 -8.342 8.164 1.00 0.00 C ATOM 449 NZ LYS A 26 -7.949 -8.282 7.703 1.00 0.00 N ATOM 0 H LYS A 26 -0.795 -10.584 5.514 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.458 -10.836 7.902 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.609 -8.506 6.363 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -3.800 -9.530 5.585 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.324 -9.925 8.315 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.900 -8.227 8.240 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -5.520 -7.959 6.304 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.000 -9.631 6.519 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.474 -9.050 8.989 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.257 -7.367 8.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.532 -7.807 8.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.997 -7.750 6.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -8.306 -9.247 7.551 1.00 0.00 H new ATOM 463 N GLU A 27 -4.092 -12.347 6.515 1.00 0.00 N ATOM 464 CA GLU A 27 -4.850 -13.303 5.709 1.00 0.00 C ATOM 465 C GLU A 27 -5.366 -12.649 4.421 1.00 0.00 C ATOM 466 O GLU A 27 -5.273 -11.441 4.205 1.00 0.00 O ATOM 467 CB GLU A 27 -6.001 -13.930 6.506 1.00 0.00 C ATOM 468 CG GLU A 27 -5.813 -15.407 6.882 1.00 0.00 C ATOM 469 CD GLU A 27 -5.972 -16.403 5.729 1.00 0.00 C ATOM 470 OE1 GLU A 27 -6.386 -16.018 4.615 1.00 0.00 O ATOM 471 OE2 GLU A 27 -5.701 -17.606 5.932 1.00 0.00 O ATOM 0 H GLU A 27 -4.529 -12.112 7.406 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.169 -14.108 5.432 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.143 -13.355 7.421 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.918 -13.834 5.924 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.819 -15.531 7.313 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.532 -15.661 7.661 1.00 0.00 H new ATOM 478 N VAL A 28 -5.975 -13.480 3.590 1.00 0.00 N ATOM 479 CA VAL A 28 -6.360 -13.253 2.200 1.00 0.00 C ATOM 480 C VAL A 28 -7.828 -12.776 2.133 1.00 0.00 C ATOM 481 O VAL A 28 -8.557 -13.035 1.176 1.00 0.00 O ATOM 482 CB VAL A 28 -6.038 -14.547 1.411 1.00 0.00 C ATOM 483 CG1 VAL A 28 -6.163 -14.371 -0.110 1.00 0.00 C ATOM 484 CG2 VAL A 28 -4.597 -15.013 1.701 1.00 0.00 C ATOM 0 H VAL A 28 -6.238 -14.417 3.896 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.795 -12.449 1.729 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.771 -15.282 1.743 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.925 -15.312 -0.606 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.182 -14.077 -0.360 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.470 -13.599 -0.445 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.389 -15.923 1.138 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.896 -14.234 1.403 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.487 -15.212 2.767 1.00 0.00 H new ATOM 494 N SER A 29 -8.294 -12.128 3.200 1.00 0.00 N ATOM 495 CA SER A 29 -9.679 -11.726 3.381 1.00 0.00 C ATOM 496 C SER A 29 -9.900 -10.298 2.851 1.00 0.00 C ATOM 497 O SER A 29 -8.963 -9.594 2.457 1.00 0.00 O ATOM 498 CB SER A 29 -9.981 -11.876 4.875 1.00 0.00 C ATOM 499 OG SER A 29 -11.359 -11.792 5.191 1.00 0.00 O ATOM 0 H SER A 29 -7.696 -11.863 3.983 1.00 0.00 H new ATOM 0 HA SER A 29 -10.368 -12.349 2.811 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.597 -12.836 5.219 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.444 -11.103 5.424 1.00 0.00 H new ATOM 0 HG SER A 29 -11.480 -11.897 6.158 1.00 0.00 H new ATOM 505 N GLU A 30 -11.153 -9.845 2.899 1.00 0.00 N ATOM 506 CA GLU A 30 -11.533 -8.458 2.700 1.00 0.00 C ATOM 507 C GLU A 30 -11.870 -7.860 4.060 1.00 0.00 C ATOM 508 O GLU A 30 -12.433 -8.519 4.937 1.00 0.00 O ATOM 509 CB GLU A 30 -12.693 -8.356 1.699 1.00 0.00 C ATOM 510 CG GLU A 30 -13.026 -6.914 1.265 1.00 0.00 C ATOM 511 CD GLU A 30 -14.012 -6.851 0.094 1.00 0.00 C ATOM 512 OE1 GLU A 30 -15.096 -7.469 0.160 1.00 0.00 O ATOM 513 OE2 GLU A 30 -13.743 -6.196 -0.948 1.00 0.00 O ATOM 0 H GLU A 30 -11.949 -10.455 3.083 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.712 -7.888 2.266 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.447 -8.943 0.814 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.582 -8.805 2.142 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -13.444 -6.373 2.114 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.105 -6.404 0.984 1.00 0.00 H new ATOM 520 N PHE A 31 -11.490 -6.603 4.224 1.00 0.00 N ATOM 521 CA PHE A 31 -11.678 -5.769 5.389 1.00 0.00 C ATOM 522 C PHE A 31 -11.866 -4.331 4.897 1.00 0.00 C ATOM 523 O PHE A 31 -12.005 -4.089 3.692 1.00 0.00 O ATOM 524 CB PHE A 31 -10.488 -5.948 6.349 1.00 0.00 C ATOM 525 CG PHE A 31 -9.100 -5.615 5.813 1.00 0.00 C ATOM 526 CD1 PHE A 31 -8.374 -6.568 5.071 1.00 0.00 C ATOM 527 CD2 PHE A 31 -8.490 -4.385 6.130 1.00 0.00 C ATOM 528 CE1 PHE A 31 -7.039 -6.311 4.713 1.00 0.00 C ATOM 529 CE2 PHE A 31 -7.157 -4.128 5.771 1.00 0.00 C ATOM 530 CZ PHE A 31 -6.424 -5.098 5.071 1.00 0.00 C ATOM 0 H PHE A 31 -11.002 -6.103 3.481 1.00 0.00 H new ATOM 0 HA PHE A 31 -12.563 -6.048 5.961 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -10.668 -5.329 7.228 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -10.480 -6.985 6.686 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -8.843 -7.496 4.777 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.055 -3.630 6.656 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -6.481 -7.051 4.159 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.697 -3.186 6.033 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.393 -4.914 4.808 1.00 0.00 H new ATOM 540 N ASP A 32 -11.861 -3.357 5.803 1.00 0.00 N ATOM 541 CA ASP A 32 -11.810 -1.949 5.441 1.00 0.00 C ATOM 542 C ASP A 32 -10.664 -1.313 6.234 1.00 0.00 C ATOM 543 O ASP A 32 -10.326 -1.791 7.326 1.00 0.00 O ATOM 544 CB ASP A 32 -13.103 -1.221 5.844 1.00 0.00 C ATOM 545 CG ASP A 32 -14.345 -1.476 4.992 1.00 0.00 C ATOM 546 OD1 ASP A 32 -14.816 -2.631 4.896 1.00 0.00 O ATOM 547 OD2 ASP A 32 -14.952 -0.470 4.562 1.00 0.00 O ATOM 0 H ASP A 32 -11.892 -3.525 6.809 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.676 -1.866 4.362 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.338 -1.495 6.873 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -12.903 -0.150 5.837 1.00 0.00 H new ATOM 552 N TRP A 33 -10.091 -0.217 5.733 1.00 0.00 N ATOM 553 CA TRP A 33 -9.059 0.534 6.439 1.00 0.00 C ATOM 554 C TRP A 33 -9.316 2.043 6.384 1.00 0.00 C ATOM 555 O TRP A 33 -9.786 2.566 5.368 1.00 0.00 O ATOM 556 CB TRP A 33 -7.678 0.193 5.863 1.00 0.00 C ATOM 557 CG TRP A 33 -6.561 0.604 6.764 1.00 0.00 C ATOM 558 CD1 TRP A 33 -5.774 1.695 6.628 1.00 0.00 C ATOM 559 CD2 TRP A 33 -6.167 -0.020 8.017 1.00 0.00 C ATOM 560 NE1 TRP A 33 -4.917 1.782 7.705 1.00 0.00 N ATOM 561 CE2 TRP A 33 -5.131 0.762 8.606 1.00 0.00 C ATOM 562 CE3 TRP A 33 -6.612 -1.152 8.730 1.00 0.00 C ATOM 563 CZ2 TRP A 33 -4.565 0.430 9.844 1.00 0.00 C ATOM 564 CZ3 TRP A 33 -6.047 -1.495 9.970 1.00 0.00 C ATOM 565 CH2 TRP A 33 -5.024 -0.708 10.525 1.00 0.00 C ATOM 0 H TRP A 33 -10.333 0.174 4.822 1.00 0.00 H new ATOM 0 HA TRP A 33 -9.088 0.243 7.489 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -7.619 -0.881 5.684 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -7.560 0.685 4.897 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -5.811 2.391 5.803 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -4.213 2.511 7.820 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -7.399 -1.765 8.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -3.784 1.043 10.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -6.401 -2.368 10.499 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -4.591 -0.979 11.476 1.00 0.00 H new ATOM 576 N TYR A 34 -8.952 2.754 7.454 1.00 0.00 N ATOM 577 CA TYR A 34 -8.947 4.204 7.515 1.00 0.00 C ATOM 578 C TYR A 34 -7.495 4.656 7.652 1.00 0.00 C ATOM 579 O TYR A 34 -6.853 4.427 8.680 1.00 0.00 O ATOM 580 CB TYR A 34 -9.838 4.709 8.662 1.00 0.00 C ATOM 581 CG TYR A 34 -10.195 6.173 8.515 1.00 0.00 C ATOM 582 CD1 TYR A 34 -9.212 7.168 8.672 1.00 0.00 C ATOM 583 CD2 TYR A 34 -11.501 6.534 8.143 1.00 0.00 C ATOM 584 CE1 TYR A 34 -9.506 8.506 8.360 1.00 0.00 C ATOM 585 CE2 TYR A 34 -11.811 7.873 7.862 1.00 0.00 C ATOM 586 CZ TYR A 34 -10.801 8.856 7.922 1.00 0.00 C ATOM 587 OH TYR A 34 -11.062 10.134 7.556 1.00 0.00 O ATOM 0 H TYR A 34 -8.645 2.317 8.323 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.369 4.633 6.606 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.752 4.117 8.696 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.324 4.557 9.611 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.229 6.902 9.033 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -12.269 5.778 8.073 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.743 9.264 8.455 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.821 8.151 7.600 1.00 0.00 H new ATOM 0 HH TYR A 34 -11.999 10.210 7.279 1.00 0.00 H new ATOM 597 N TYR A 35 -6.956 5.288 6.614 1.00 0.00 N ATOM 598 CA TYR A 35 -5.661 5.941 6.682 1.00 0.00 C ATOM 599 C TYR A 35 -5.836 7.285 7.361 1.00 0.00 C ATOM 600 O TYR A 35 -6.583 8.136 6.883 1.00 0.00 O ATOM 601 CB TYR A 35 -5.102 6.158 5.285 1.00 0.00 C ATOM 602 CG TYR A 35 -4.773 4.871 4.599 1.00 0.00 C ATOM 603 CD1 TYR A 35 -3.562 4.229 4.897 1.00 0.00 C ATOM 604 CD2 TYR A 35 -5.710 4.283 3.735 1.00 0.00 C ATOM 605 CE1 TYR A 35 -3.297 2.973 4.345 1.00 0.00 C ATOM 606 CE2 TYR A 35 -5.432 3.043 3.146 1.00 0.00 C ATOM 607 CZ TYR A 35 -4.233 2.374 3.481 1.00 0.00 C ATOM 608 OH TYR A 35 -3.996 1.126 3.021 1.00 0.00 O ATOM 0 H TYR A 35 -7.408 5.360 5.703 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.968 5.313 7.243 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.827 6.710 4.688 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.205 6.774 5.347 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -2.841 4.701 5.547 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.643 4.785 3.525 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.375 2.462 4.581 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -6.125 2.603 2.444 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.848 0.663 2.879 1.00 0.00 H new ATOM 618 N ASP A 36 -5.109 7.491 8.447 1.00 0.00 N ATOM 619 CA ASP A 36 -5.145 8.676 9.283 1.00 0.00 C ATOM 620 C ASP A 36 -3.780 9.355 9.342 1.00 0.00 C ATOM 621 O ASP A 36 -3.612 10.319 10.087 1.00 0.00 O ATOM 622 CB ASP A 36 -5.671 8.327 10.682 1.00 0.00 C ATOM 623 CG ASP A 36 -4.860 7.292 11.471 1.00 0.00 C ATOM 624 OD1 ASP A 36 -4.214 6.407 10.864 1.00 0.00 O ATOM 625 OD2 ASP A 36 -4.970 7.303 12.719 1.00 0.00 O ATOM 0 H ASP A 36 -4.442 6.797 8.786 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.834 9.392 8.836 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.719 9.244 11.269 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.692 7.959 10.582 1.00 0.00 H new ATOM 630 N THR A 37 -2.800 8.900 8.560 1.00 0.00 N ATOM 631 CA THR A 37 -1.539 9.591 8.307 1.00 0.00 C ATOM 632 C THR A 37 -0.957 9.089 6.984 1.00 0.00 C ATOM 633 O THR A 37 -1.549 8.211 6.347 1.00 0.00 O ATOM 634 CB THR A 37 -0.576 9.506 9.521 1.00 0.00 C ATOM 635 OG1 THR A 37 -1.110 8.772 10.608 1.00 0.00 O ATOM 636 CG2 THR A 37 -0.355 10.920 10.057 1.00 0.00 C ATOM 0 H THR A 37 -2.867 8.008 8.069 1.00 0.00 H new ATOM 0 HA THR A 37 -1.711 10.661 8.193 1.00 0.00 H new ATOM 0 HB THR A 37 0.330 9.016 9.164 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.459 8.752 11.340 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.320 10.884 10.912 1.00 0.00 H new ATOM 0 HG22 THR A 37 0.083 11.541 9.275 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.310 11.345 10.366 1.00 0.00 H new ATOM 644 N ASN A 38 0.142 9.708 6.546 1.00 0.00 N ATOM 645 CA ASN A 38 0.839 9.417 5.302 1.00 0.00 C ATOM 646 C ASN A 38 1.477 8.042 5.409 1.00 0.00 C ATOM 647 O ASN A 38 2.656 7.900 5.723 1.00 0.00 O ATOM 648 CB ASN A 38 1.905 10.460 5.002 1.00 0.00 C ATOM 649 CG ASN A 38 1.425 11.894 5.070 1.00 0.00 C ATOM 650 OD1 ASN A 38 0.928 12.442 4.084 1.00 0.00 O ATOM 651 ND2 ASN A 38 1.553 12.513 6.234 1.00 0.00 N ATOM 0 H ASN A 38 0.586 10.458 7.076 1.00 0.00 H new ATOM 0 HA ASN A 38 0.118 9.439 4.484 1.00 0.00 H new ATOM 0 HB2 ASN A 38 2.727 10.333 5.707 1.00 0.00 H new ATOM 0 HB3 ASN A 38 2.307 10.273 4.006 1.00 0.00 H new ATOM 0 HD21 ASN A 38 1.235 13.477 6.337 1.00 0.00 H new ATOM 0 HD22 ASN A 38 1.970 12.026 7.028 1.00 0.00 H new ATOM 658 N GLU A 39 0.721 7.014 5.070 1.00 0.00 N ATOM 659 CA GLU A 39 1.235 5.656 4.993 1.00 0.00 C ATOM 660 C GLU A 39 1.880 5.514 3.631 1.00 0.00 C ATOM 661 O GLU A 39 1.209 5.665 2.604 1.00 0.00 O ATOM 662 CB GLU A 39 0.152 4.599 5.239 1.00 0.00 C ATOM 663 CG GLU A 39 0.820 3.215 5.363 1.00 0.00 C ATOM 664 CD GLU A 39 -0.134 2.137 5.874 1.00 0.00 C ATOM 665 OE1 GLU A 39 -0.857 2.389 6.862 1.00 0.00 O ATOM 666 OE2 GLU A 39 -0.180 1.032 5.282 1.00 0.00 O ATOM 0 H GLU A 39 -0.269 7.096 4.839 1.00 0.00 H new ATOM 0 HA GLU A 39 1.965 5.482 5.784 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.402 4.832 6.148 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.566 4.598 4.419 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.209 2.917 4.389 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.673 3.288 6.038 1.00 0.00 H new ATOM 673 N THR A 40 3.204 5.411 3.604 1.00 0.00 N ATOM 674 CA THR A 40 3.912 4.926 2.442 1.00 0.00 C ATOM 675 C THR A 40 3.962 3.414 2.626 1.00 0.00 C ATOM 676 O THR A 40 4.261 2.947 3.726 1.00 0.00 O ATOM 677 CB THR A 40 5.303 5.577 2.357 1.00 0.00 C ATOM 678 OG1 THR A 40 5.178 6.971 2.187 1.00 0.00 O ATOM 679 CG2 THR A 40 6.100 5.101 1.145 1.00 0.00 C ATOM 0 H THR A 40 3.808 5.662 4.387 1.00 0.00 H new ATOM 0 HA THR A 40 3.427 5.179 1.499 1.00 0.00 H new ATOM 0 HB THR A 40 5.810 5.304 3.282 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.069 7.376 2.136 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.073 5.592 1.134 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.239 4.021 1.202 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.558 5.350 0.233 1.00 0.00 H new ATOM 687 N CYS A 41 3.673 2.634 1.588 1.00 0.00 N ATOM 688 CA CYS A 41 3.903 1.200 1.635 1.00 0.00 C ATOM 689 C CYS A 41 4.443 0.716 0.303 1.00 0.00 C ATOM 690 O CYS A 41 4.100 1.264 -0.746 1.00 0.00 O ATOM 691 CB CYS A 41 2.641 0.441 2.071 1.00 0.00 C ATOM 692 SG CYS A 41 1.225 0.790 0.989 1.00 0.00 S ATOM 0 H CYS A 41 3.281 2.972 0.709 1.00 0.00 H new ATOM 0 HA CYS A 41 4.658 0.990 2.393 1.00 0.00 H new ATOM 0 HB2 CYS A 41 2.844 -0.630 2.068 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.390 0.715 3.096 1.00 0.00 H new ATOM 0 HG CYS A 41 0.189 0.122 1.401 1.00 0.00 H new ATOM 698 N TYR A 42 5.261 -0.331 0.361 1.00 0.00 N ATOM 699 CA TYR A 42 5.903 -0.959 -0.774 1.00 0.00 C ATOM 700 C TYR A 42 5.589 -2.448 -0.727 1.00 0.00 C ATOM 701 O TYR A 42 5.909 -3.137 0.248 1.00 0.00 O ATOM 702 CB TYR A 42 7.408 -0.695 -0.744 1.00 0.00 C ATOM 703 CG TYR A 42 8.086 -1.214 -1.992 1.00 0.00 C ATOM 704 CD1 TYR A 42 7.795 -0.638 -3.243 1.00 0.00 C ATOM 705 CD2 TYR A 42 8.942 -2.324 -1.917 1.00 0.00 C ATOM 706 CE1 TYR A 42 8.368 -1.165 -4.411 1.00 0.00 C ATOM 707 CE2 TYR A 42 9.527 -2.851 -3.082 1.00 0.00 C ATOM 708 CZ TYR A 42 9.245 -2.270 -4.338 1.00 0.00 C ATOM 709 OH TYR A 42 9.830 -2.750 -5.473 1.00 0.00 O ATOM 0 H TYR A 42 5.501 -0.780 1.245 1.00 0.00 H new ATOM 0 HA TYR A 42 5.528 -0.543 -1.709 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.589 0.376 -0.649 1.00 0.00 H new ATOM 0 HB3 TYR A 42 7.845 -1.171 0.134 1.00 0.00 H new ATOM 0 HD1 TYR A 42 7.130 0.211 -3.304 1.00 0.00 H new ATOM 0 HD2 TYR A 42 9.152 -2.776 -0.959 1.00 0.00 H new ATOM 0 HE1 TYR A 42 8.137 -0.724 -5.369 1.00 0.00 H new ATOM 0 HE2 TYR A 42 10.192 -3.700 -3.016 1.00 0.00 H new ATOM 0 HH TYR A 42 10.405 -3.511 -5.248 1.00 0.00 H new ATOM 719 N ILE A 43 4.880 -2.900 -1.754 1.00 0.00 N ATOM 720 CA ILE A 43 4.314 -4.230 -1.906 1.00 0.00 C ATOM 721 C ILE A 43 5.432 -5.155 -2.389 1.00 0.00 C ATOM 722 O ILE A 43 6.048 -4.866 -3.416 1.00 0.00 O ATOM 723 CB ILE A 43 3.176 -4.130 -2.948 1.00 0.00 C ATOM 724 CG1 ILE A 43 2.215 -2.922 -2.763 1.00 0.00 C ATOM 725 CG2 ILE A 43 2.397 -5.452 -2.997 1.00 0.00 C ATOM 726 CD1 ILE A 43 1.456 -2.909 -1.433 1.00 0.00 C ATOM 0 H ILE A 43 4.673 -2.305 -2.556 1.00 0.00 H new ATOM 0 HA ILE A 43 3.909 -4.625 -0.974 1.00 0.00 H new ATOM 0 HB ILE A 43 3.665 -3.943 -3.904 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.791 -2.000 -2.847 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.492 -2.921 -3.579 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.597 -5.376 -3.733 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.071 -6.261 -3.277 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.969 -5.659 -2.016 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.810 -2.032 -1.391 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.849 -3.811 -1.352 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.168 -2.875 -0.608 1.00 0.00 H new ATOM 738 N LEU A 44 5.698 -6.261 -1.685 1.00 0.00 N ATOM 739 CA LEU A 44 6.805 -7.157 -2.038 1.00 0.00 C ATOM 740 C LEU A 44 6.329 -8.422 -2.744 1.00 0.00 C ATOM 741 O LEU A 44 7.084 -9.021 -3.514 1.00 0.00 O ATOM 742 CB LEU A 44 7.558 -7.609 -0.780 1.00 0.00 C ATOM 743 CG LEU A 44 8.043 -6.504 0.166 1.00 0.00 C ATOM 744 CD1 LEU A 44 8.777 -7.173 1.325 1.00 0.00 C ATOM 745 CD2 LEU A 44 8.982 -5.522 -0.533 1.00 0.00 C ATOM 0 H LEU A 44 5.163 -6.557 -0.869 1.00 0.00 H new ATOM 0 HA LEU A 44 7.448 -6.583 -2.705 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.908 -8.278 -0.216 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.423 -8.193 -1.093 1.00 0.00 H new ATOM 0 HG LEU A 44 7.182 -5.933 0.514 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.135 -6.411 2.017 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.097 -7.846 1.847 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.624 -7.740 0.940 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.301 -4.757 0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.855 -6.057 -0.907 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.461 -5.051 -1.367 1.00 0.00 H new ATOM 757 N GLU A 45 5.095 -8.836 -2.480 1.00 0.00 N ATOM 758 CA GLU A 45 4.402 -9.945 -3.110 1.00 0.00 C ATOM 759 C GLU A 45 2.899 -9.726 -2.899 1.00 0.00 C ATOM 760 O GLU A 45 2.508 -8.866 -2.102 1.00 0.00 O ATOM 761 CB GLU A 45 4.879 -11.295 -2.545 1.00 0.00 C ATOM 762 CG GLU A 45 4.688 -11.477 -1.034 1.00 0.00 C ATOM 763 CD GLU A 45 5.072 -12.880 -0.541 1.00 0.00 C ATOM 764 OE1 GLU A 45 5.674 -13.683 -1.289 1.00 0.00 O ATOM 765 OE2 GLU A 45 4.770 -13.196 0.632 1.00 0.00 O ATOM 0 H GLU A 45 4.519 -8.375 -1.776 1.00 0.00 H new ATOM 0 HA GLU A 45 4.621 -9.979 -4.177 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.347 -12.094 -3.061 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.937 -11.414 -2.778 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.289 -10.736 -0.506 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.646 -11.282 -0.780 1.00 0.00 H new ATOM 772 N GLY A 46 2.063 -10.508 -3.579 1.00 0.00 N ATOM 773 CA GLY A 46 0.628 -10.576 -3.336 1.00 0.00 C ATOM 774 C GLY A 46 -0.186 -9.739 -4.320 1.00 0.00 C ATOM 775 O GLY A 46 0.330 -9.205 -5.311 1.00 0.00 O ATOM 0 H GLY A 46 2.374 -11.124 -4.330 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.304 -11.615 -3.397 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.421 -10.237 -2.321 1.00 0.00 H new ATOM 779 N LYS A 47 -1.490 -9.623 -4.065 1.00 0.00 N ATOM 780 CA LYS A 47 -2.390 -8.779 -4.844 1.00 0.00 C ATOM 781 C LYS A 47 -3.430 -8.196 -3.906 1.00 0.00 C ATOM 782 O LYS A 47 -3.932 -8.881 -3.015 1.00 0.00 O ATOM 783 CB LYS A 47 -3.070 -9.572 -5.978 1.00 0.00 C ATOM 784 CG LYS A 47 -2.938 -8.888 -7.345 1.00 0.00 C ATOM 785 CD LYS A 47 -3.598 -7.510 -7.494 1.00 0.00 C ATOM 786 CE LYS A 47 -5.136 -7.491 -7.519 1.00 0.00 C ATOM 787 NZ LYS A 47 -5.701 -8.209 -8.685 1.00 0.00 N ATOM 0 H LYS A 47 -1.953 -10.119 -3.303 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.815 -7.981 -5.314 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.631 -10.568 -6.032 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.126 -9.701 -5.742 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.877 -8.783 -7.572 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.361 -9.551 -8.099 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.261 -6.878 -6.672 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.235 -7.054 -8.415 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.515 -7.942 -6.602 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.482 -6.457 -7.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.738 -8.135 -8.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.337 -7.786 -9.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.425 -9.211 -8.643 1.00 0.00 H new ATOM 801 N VAL A 48 -3.814 -6.954 -4.163 1.00 0.00 N ATOM 802 CA VAL A 48 -4.801 -6.225 -3.392 1.00 0.00 C ATOM 803 C VAL A 48 -5.686 -5.466 -4.374 1.00 0.00 C ATOM 804 O VAL A 48 -5.281 -5.145 -5.498 1.00 0.00 O ATOM 805 CB VAL A 48 -4.097 -5.305 -2.360 1.00 0.00 C ATOM 806 CG1 VAL A 48 -5.017 -4.330 -1.608 1.00 0.00 C ATOM 807 CG2 VAL A 48 -3.384 -6.124 -1.281 1.00 0.00 C ATOM 0 H VAL A 48 -3.433 -6.412 -4.939 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.433 -6.895 -2.809 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.411 -4.727 -2.979 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.425 -3.735 -0.912 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.510 -3.670 -2.322 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.769 -4.893 -1.055 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.901 -5.451 -0.573 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.110 -6.743 -0.755 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.633 -6.762 -1.746 1.00 0.00 H new ATOM 817 N GLU A 49 -6.895 -5.167 -3.918 1.00 0.00 N ATOM 818 CA GLU A 49 -7.806 -4.199 -4.479 1.00 0.00 C ATOM 819 C GLU A 49 -8.156 -3.228 -3.345 1.00 0.00 C ATOM 820 O GLU A 49 -8.544 -3.651 -2.251 1.00 0.00 O ATOM 821 CB GLU A 49 -9.045 -4.933 -5.019 1.00 0.00 C ATOM 822 CG GLU A 49 -9.029 -5.072 -6.545 1.00 0.00 C ATOM 823 CD GLU A 49 -10.434 -5.396 -7.062 1.00 0.00 C ATOM 824 OE1 GLU A 49 -11.284 -4.474 -7.046 1.00 0.00 O ATOM 825 OE2 GLU A 49 -10.686 -6.549 -7.482 1.00 0.00 O ATOM 0 H GLU A 49 -7.283 -5.627 -3.094 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.374 -3.646 -5.313 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.101 -5.924 -4.568 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.943 -4.394 -4.716 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.671 -4.147 -6.998 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.335 -5.860 -6.838 1.00 0.00 H new ATOM 832 N VAL A 50 -7.984 -1.929 -3.584 1.00 0.00 N ATOM 833 CA VAL A 50 -8.279 -0.856 -2.641 1.00 0.00 C ATOM 834 C VAL A 50 -9.442 -0.071 -3.241 1.00 0.00 C ATOM 835 O VAL A 50 -9.287 0.546 -4.295 1.00 0.00 O ATOM 836 CB VAL A 50 -7.031 0.021 -2.385 1.00 0.00 C ATOM 837 CG1 VAL A 50 -7.325 1.060 -1.297 1.00 0.00 C ATOM 838 CG2 VAL A 50 -5.803 -0.807 -1.975 1.00 0.00 C ATOM 0 H VAL A 50 -7.622 -1.584 -4.473 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.556 -1.244 -1.661 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.799 0.518 -3.327 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.438 1.670 -1.127 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.149 1.698 -1.617 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.598 0.551 -0.372 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.955 -0.142 -1.808 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.022 -1.353 -1.058 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.559 -1.513 -2.769 1.00 0.00 H new ATOM 848 N THR A 51 -10.612 -0.114 -2.605 1.00 0.00 N ATOM 849 CA THR A 51 -11.865 0.377 -3.171 1.00 0.00 C ATOM 850 C THR A 51 -12.294 1.561 -2.311 1.00 0.00 C ATOM 851 O THR A 51 -12.714 1.352 -1.168 1.00 0.00 O ATOM 852 CB THR A 51 -12.882 -0.776 -3.167 1.00 0.00 C ATOM 853 OG1 THR A 51 -12.286 -1.908 -3.787 1.00 0.00 O ATOM 854 CG2 THR A 51 -14.150 -0.417 -3.949 1.00 0.00 C ATOM 0 H THR A 51 -10.716 -0.498 -1.666 1.00 0.00 H new ATOM 0 HA THR A 51 -11.773 0.712 -4.204 1.00 0.00 H new ATOM 0 HB THR A 51 -13.158 -0.981 -2.133 1.00 0.00 H new ATOM 0 HG1 THR A 51 -12.923 -2.653 -3.790 1.00 0.00 H new ATOM 0 HG21 THR A 51 -14.844 -1.257 -3.923 1.00 0.00 H new ATOM 0 HG22 THR A 51 -14.621 0.456 -3.498 1.00 0.00 H new ATOM 0 HG23 THR A 51 -13.889 -0.194 -4.984 1.00 0.00 H new ATOM 862 N THR A 52 -12.098 2.791 -2.794 1.00 0.00 N ATOM 863 CA THR A 52 -12.424 3.986 -2.018 1.00 0.00 C ATOM 864 C THR A 52 -13.942 4.226 -2.065 1.00 0.00 C ATOM 865 O THR A 52 -14.660 3.535 -2.804 1.00 0.00 O ATOM 866 CB THR A 52 -11.564 5.185 -2.479 1.00 0.00 C ATOM 867 OG1 THR A 52 -11.902 5.609 -3.784 1.00 0.00 O ATOM 868 CG2 THR A 52 -10.061 4.875 -2.500 1.00 0.00 C ATOM 0 H THR A 52 -11.715 2.983 -3.720 1.00 0.00 H new ATOM 0 HA THR A 52 -12.170 3.846 -0.967 1.00 0.00 H new ATOM 0 HB THR A 52 -11.775 5.963 -1.745 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.936 4.833 -4.382 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.512 5.756 -2.832 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.732 4.599 -1.498 1.00 0.00 H new ATOM 0 HG23 THR A 52 -9.869 4.049 -3.185 1.00 0.00 H new ATOM 876 N GLU A 53 -14.442 5.198 -1.294 1.00 0.00 N ATOM 877 CA GLU A 53 -15.862 5.541 -1.242 1.00 0.00 C ATOM 878 C GLU A 53 -16.394 5.840 -2.643 1.00 0.00 C ATOM 879 O GLU A 53 -17.480 5.379 -3.006 1.00 0.00 O ATOM 880 CB GLU A 53 -16.060 6.735 -0.307 1.00 0.00 C ATOM 881 CG GLU A 53 -17.510 7.233 -0.303 1.00 0.00 C ATOM 882 CD GLU A 53 -17.672 8.482 0.551 1.00 0.00 C ATOM 883 OE1 GLU A 53 -17.448 9.595 0.020 1.00 0.00 O ATOM 884 OE2 GLU A 53 -18.084 8.351 1.724 1.00 0.00 O ATOM 0 H GLU A 53 -13.863 5.773 -0.683 1.00 0.00 H new ATOM 0 HA GLU A 53 -16.426 4.694 -0.852 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -15.772 6.453 0.706 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -15.400 7.547 -0.612 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -17.824 7.447 -1.324 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -18.164 6.447 0.074 1.00 0.00 H new ATOM 891 N ASP A 54 -15.600 6.545 -3.451 1.00 0.00 N ATOM 892 CA ASP A 54 -15.996 7.006 -4.781 1.00 0.00 C ATOM 893 C ASP A 54 -16.241 5.848 -5.749 1.00 0.00 C ATOM 894 O ASP A 54 -16.841 6.043 -6.805 1.00 0.00 O ATOM 895 CB ASP A 54 -14.900 7.899 -5.378 1.00 0.00 C ATOM 896 CG ASP A 54 -14.682 9.165 -4.564 1.00 0.00 C ATOM 897 OD1 ASP A 54 -15.666 9.910 -4.341 1.00 0.00 O ATOM 898 OD2 ASP A 54 -13.536 9.353 -4.101 1.00 0.00 O ATOM 0 H ASP A 54 -14.650 6.815 -3.195 1.00 0.00 H new ATOM 0 HA ASP A 54 -16.926 7.560 -4.654 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -13.967 7.339 -5.432 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -15.169 8.168 -6.399 1.00 0.00 H new ATOM 903 N GLY A 55 -15.746 4.650 -5.426 1.00 0.00 N ATOM 904 CA GLY A 55 -15.589 3.569 -6.391 1.00 0.00 C ATOM 905 C GLY A 55 -14.316 3.747 -7.226 1.00 0.00 C ATOM 906 O GLY A 55 -14.013 2.896 -8.058 1.00 0.00 O ATOM 0 H GLY A 55 -15.443 4.406 -4.483 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -15.552 2.614 -5.867 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -16.457 3.538 -7.050 1.00 0.00 H new ATOM 910 N LYS A 56 -13.527 4.807 -6.980 1.00 0.00 N ATOM 911 CA LYS A 56 -12.159 4.906 -7.475 1.00 0.00 C ATOM 912 C LYS A 56 -11.409 3.764 -6.814 1.00 0.00 C ATOM 913 O LYS A 56 -11.382 3.663 -5.579 1.00 0.00 O ATOM 914 CB LYS A 56 -11.530 6.275 -7.162 1.00 0.00 C ATOM 915 CG LYS A 56 -11.989 7.363 -8.149 1.00 0.00 C ATOM 916 CD LYS A 56 -10.997 7.520 -9.316 1.00 0.00 C ATOM 917 CE LYS A 56 -11.629 8.115 -10.580 1.00 0.00 C ATOM 918 NZ LYS A 56 -12.343 9.386 -10.354 1.00 0.00 N ATOM 0 H LYS A 56 -13.827 5.614 -6.433 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.120 4.829 -8.562 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -11.795 6.572 -6.147 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -10.444 6.191 -7.196 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.975 7.109 -8.539 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -12.089 8.313 -7.624 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.172 8.157 -8.998 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -10.573 6.545 -9.556 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -10.848 8.276 -11.323 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.325 7.390 -11.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.698 9.751 -11.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.142 9.225 -9.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.692 10.080 -9.933 1.00 0.00 H new ATOM 932 N LYS A 57 -10.899 2.865 -7.639 1.00 0.00 N ATOM 933 CA LYS A 57 -10.477 1.543 -7.258 1.00 0.00 C ATOM 934 C LYS A 57 -9.079 1.336 -7.809 1.00 0.00 C ATOM 935 O LYS A 57 -8.811 1.682 -8.965 1.00 0.00 O ATOM 936 CB LYS A 57 -11.522 0.540 -7.765 1.00 0.00 C ATOM 937 CG LYS A 57 -11.824 0.577 -9.272 1.00 0.00 C ATOM 938 CD LYS A 57 -13.064 -0.243 -9.644 1.00 0.00 C ATOM 939 CE LYS A 57 -12.833 -1.759 -9.579 1.00 0.00 C ATOM 940 NZ LYS A 57 -14.027 -2.511 -10.029 1.00 0.00 N ATOM 0 H LYS A 57 -10.765 3.052 -8.633 1.00 0.00 H new ATOM 0 HA LYS A 57 -10.418 1.398 -6.179 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.186 -0.464 -7.508 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -12.453 0.713 -7.225 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.969 1.611 -9.585 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.963 0.196 -9.821 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.881 0.022 -8.973 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.380 0.026 -10.652 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.979 -2.025 -10.202 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.585 -2.047 -8.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.836 -3.532 -9.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.836 -2.276 -9.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.249 -2.254 -11.012 1.00 0.00 H new ATOM 954 N TYR A 58 -8.185 0.823 -6.971 1.00 0.00 N ATOM 955 CA TYR A 58 -6.764 0.741 -7.243 1.00 0.00 C ATOM 956 C TYR A 58 -6.328 -0.706 -7.023 1.00 0.00 C ATOM 957 O TYR A 58 -6.463 -1.250 -5.925 1.00 0.00 O ATOM 958 CB TYR A 58 -5.996 1.728 -6.350 1.00 0.00 C ATOM 959 CG TYR A 58 -6.473 3.177 -6.396 1.00 0.00 C ATOM 960 CD1 TYR A 58 -6.081 4.029 -7.448 1.00 0.00 C ATOM 961 CD2 TYR A 58 -7.257 3.694 -5.343 1.00 0.00 C ATOM 962 CE1 TYR A 58 -6.482 5.380 -7.459 1.00 0.00 C ATOM 963 CE2 TYR A 58 -7.650 5.047 -5.345 1.00 0.00 C ATOM 964 CZ TYR A 58 -7.286 5.890 -6.417 1.00 0.00 C ATOM 965 OH TYR A 58 -7.694 7.190 -6.440 1.00 0.00 O ATOM 0 H TYR A 58 -8.441 0.443 -6.060 1.00 0.00 H new ATOM 0 HA TYR A 58 -6.544 1.022 -8.273 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.056 1.378 -5.319 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -4.944 1.703 -6.634 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -5.469 3.644 -8.251 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.558 3.049 -4.531 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -6.173 6.027 -8.267 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -8.231 5.440 -4.524 1.00 0.00 H new ATOM 0 HH TYR A 58 -8.241 7.375 -5.648 1.00 0.00 H new ATOM 975 N VAL A 59 -5.866 -1.355 -8.087 1.00 0.00 N ATOM 976 CA VAL A 59 -5.050 -2.563 -8.016 1.00 0.00 C ATOM 977 C VAL A 59 -3.632 -2.119 -7.633 1.00 0.00 C ATOM 978 O VAL A 59 -3.180 -1.072 -8.103 1.00 0.00 O ATOM 979 CB VAL A 59 -5.084 -3.249 -9.399 1.00 0.00 C ATOM 980 CG1 VAL A 59 -4.120 -4.433 -9.498 1.00 0.00 C ATOM 981 CG2 VAL A 59 -6.500 -3.766 -9.691 1.00 0.00 C ATOM 0 H VAL A 59 -6.052 -1.050 -9.042 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.414 -3.278 -7.278 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.778 -2.495 -10.124 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.188 -4.875 -10.492 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.101 -4.088 -9.323 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.384 -5.180 -8.750 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.517 -4.249 -10.668 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.790 -4.486 -8.926 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.200 -2.931 -9.687 1.00 0.00 H new ATOM 991 N ILE A 60 -2.924 -2.929 -6.844 1.00 0.00 N ATOM 992 CA ILE A 60 -1.482 -2.820 -6.613 1.00 0.00 C ATOM 993 C ILE A 60 -0.881 -4.226 -6.557 1.00 0.00 C ATOM 994 O ILE A 60 -1.534 -5.162 -6.076 1.00 0.00 O ATOM 995 CB ILE A 60 -1.161 -2.035 -5.317 1.00 0.00 C ATOM 996 CG1 ILE A 60 -1.965 -2.525 -4.085 1.00 0.00 C ATOM 997 CG2 ILE A 60 -1.326 -0.531 -5.556 1.00 0.00 C ATOM 998 CD1 ILE A 60 -1.774 -1.684 -2.816 1.00 0.00 C ATOM 0 H ILE A 60 -3.350 -3.702 -6.333 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.039 -2.260 -7.437 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.118 -2.234 -5.069 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.024 -2.535 -4.341 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.679 -3.554 -3.868 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.098 0.010 -4.638 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.645 -0.211 -6.345 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.353 -0.321 -5.856 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.375 -2.102 -2.008 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.723 -1.693 -2.528 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.089 -0.658 -3.008 1.00 0.00 H new ATOM 1010 N GLU A 61 0.361 -4.378 -7.010 1.00 0.00 N ATOM 1011 CA GLU A 61 1.148 -5.591 -6.998 1.00 0.00 C ATOM 1012 C GLU A 61 2.600 -5.282 -6.609 1.00 0.00 C ATOM 1013 O GLU A 61 2.916 -4.166 -6.201 1.00 0.00 O ATOM 1014 CB GLU A 61 0.994 -6.298 -8.346 1.00 0.00 C ATOM 1015 CG GLU A 61 1.795 -5.710 -9.524 1.00 0.00 C ATOM 1016 CD GLU A 61 3.009 -6.553 -9.941 1.00 0.00 C ATOM 1017 OE1 GLU A 61 2.897 -7.802 -10.021 1.00 0.00 O ATOM 1018 OE2 GLU A 61 4.085 -5.979 -10.219 1.00 0.00 O ATOM 0 H GLU A 61 0.872 -3.598 -7.422 1.00 0.00 H new ATOM 0 HA GLU A 61 0.787 -6.283 -6.237 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.287 -7.340 -8.220 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.062 -6.294 -8.615 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.131 -5.600 -10.381 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.136 -4.710 -9.254 1.00 0.00 H new ATOM 1025 N LYS A 62 3.452 -6.309 -6.656 1.00 0.00 N ATOM 1026 CA LYS A 62 4.774 -6.416 -6.036 1.00 0.00 C ATOM 1027 C LYS A 62 5.854 -5.475 -6.596 1.00 0.00 C ATOM 1028 O LYS A 62 6.888 -5.909 -7.104 1.00 0.00 O ATOM 1029 CB LYS A 62 5.184 -7.892 -6.079 1.00 0.00 C ATOM 1030 CG LYS A 62 5.490 -8.422 -7.486 1.00 0.00 C ATOM 1031 CD LYS A 62 5.194 -9.917 -7.583 1.00 0.00 C ATOM 1032 CE LYS A 62 5.741 -10.490 -8.890 1.00 0.00 C ATOM 1033 NZ LYS A 62 5.091 -9.918 -10.083 1.00 0.00 N ATOM 0 H LYS A 62 3.215 -7.157 -7.171 1.00 0.00 H new ATOM 0 HA LYS A 62 4.690 -6.065 -5.007 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.065 -8.031 -5.452 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.385 -8.492 -5.643 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.893 -7.881 -8.220 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.537 -8.238 -7.728 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.641 -10.437 -6.736 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.118 -10.085 -7.528 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.814 -10.303 -8.942 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.605 -11.572 -8.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.678 -10.683 -10.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.340 -9.262 -9.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.796 -9.405 -10.650 1.00 0.00 H new ATOM 1047 N GLY A 63 5.653 -4.180 -6.461 1.00 0.00 N ATOM 1048 CA GLY A 63 6.567 -3.168 -6.958 1.00 0.00 C ATOM 1049 C GLY A 63 5.935 -1.796 -7.135 1.00 0.00 C ATOM 1050 O GLY A 63 6.673 -0.851 -7.423 1.00 0.00 O ATOM 0 H GLY A 63 4.834 -3.792 -5.993 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.408 -3.083 -6.270 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.971 -3.497 -7.916 1.00 0.00 H new ATOM 1054 N ASP A 64 4.617 -1.662 -6.968 1.00 0.00 N ATOM 1055 CA ASP A 64 3.985 -0.356 -6.837 1.00 0.00 C ATOM 1056 C ASP A 64 4.388 0.174 -5.458 1.00 0.00 C ATOM 1057 O ASP A 64 4.257 -0.545 -4.459 1.00 0.00 O ATOM 1058 CB ASP A 64 2.453 -0.466 -6.947 1.00 0.00 C ATOM 1059 CG ASP A 64 1.961 -0.992 -8.298 1.00 0.00 C ATOM 1060 OD1 ASP A 64 2.178 -0.351 -9.353 1.00 0.00 O ATOM 1061 OD2 ASP A 64 1.326 -2.073 -8.321 1.00 0.00 O ATOM 0 H ASP A 64 3.969 -2.448 -6.921 1.00 0.00 H new ATOM 0 HA ASP A 64 4.306 0.315 -7.634 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.089 -1.124 -6.158 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.015 0.516 -6.770 1.00 0.00 H new ATOM 1066 N LEU A 65 4.911 1.400 -5.382 1.00 0.00 N ATOM 1067 CA LEU A 65 4.955 2.158 -4.148 1.00 0.00 C ATOM 1068 C LEU A 65 3.645 2.935 -4.077 1.00 0.00 C ATOM 1069 O LEU A 65 3.189 3.475 -5.091 1.00 0.00 O ATOM 1070 CB LEU A 65 6.135 3.128 -4.201 1.00 0.00 C ATOM 1071 CG LEU A 65 6.314 3.974 -2.926 1.00 0.00 C ATOM 1072 CD1 LEU A 65 6.966 3.156 -1.806 1.00 0.00 C ATOM 1073 CD2 LEU A 65 7.176 5.190 -3.247 1.00 0.00 C ATOM 0 H LEU A 65 5.315 1.888 -6.181 1.00 0.00 H new ATOM 0 HA LEU A 65 5.077 1.514 -3.277 1.00 0.00 H new ATOM 0 HB2 LEU A 65 7.049 2.561 -4.379 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.004 3.797 -5.052 1.00 0.00 H new ATOM 0 HG LEU A 65 5.331 4.295 -2.581 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.080 3.779 -0.919 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.337 2.298 -1.569 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.946 2.808 -2.133 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.305 5.792 -2.348 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.151 4.860 -3.606 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.689 5.788 -4.017 1.00 0.00 H new ATOM 1085 N VAL A 66 3.088 3.052 -2.880 1.00 0.00 N ATOM 1086 CA VAL A 66 1.896 3.835 -2.618 1.00 0.00 C ATOM 1087 C VAL A 66 2.262 4.864 -1.556 1.00 0.00 C ATOM 1088 O VAL A 66 2.974 4.532 -0.608 1.00 0.00 O ATOM 1089 CB VAL A 66 0.761 2.897 -2.165 1.00 0.00 C ATOM 1090 CG1 VAL A 66 -0.565 3.654 -2.027 1.00 0.00 C ATOM 1091 CG2 VAL A 66 0.572 1.694 -3.107 1.00 0.00 C ATOM 0 H VAL A 66 3.462 2.594 -2.049 1.00 0.00 H new ATOM 0 HA VAL A 66 1.539 4.354 -3.507 1.00 0.00 H new ATOM 0 HB VAL A 66 1.061 2.513 -1.190 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.346 2.965 -1.706 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.456 4.448 -1.288 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.838 4.089 -2.989 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.241 1.068 -2.739 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.330 2.050 -4.108 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.492 1.111 -3.142 1.00 0.00 H new ATOM 1101 N THR A 67 1.741 6.081 -1.698 1.00 0.00 N ATOM 1102 CA THR A 67 1.741 7.120 -0.682 1.00 0.00 C ATOM 1103 C THR A 67 0.287 7.558 -0.555 1.00 0.00 C ATOM 1104 O THR A 67 -0.219 8.277 -1.419 1.00 0.00 O ATOM 1105 CB THR A 67 2.657 8.288 -1.089 1.00 0.00 C ATOM 1106 OG1 THR A 67 3.957 7.849 -1.439 1.00 0.00 O ATOM 1107 CG2 THR A 67 2.797 9.353 0.008 1.00 0.00 C ATOM 0 H THR A 67 1.289 6.378 -2.563 1.00 0.00 H new ATOM 0 HA THR A 67 2.130 6.761 0.271 1.00 0.00 H new ATOM 0 HB THR A 67 2.167 8.732 -1.955 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.506 8.620 -1.692 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.455 10.149 -0.340 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.816 9.768 0.240 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.220 8.899 0.904 1.00 0.00 H new ATOM 1115 N PHE A 68 -0.411 7.086 0.477 1.00 0.00 N ATOM 1116 CA PHE A 68 -1.740 7.590 0.800 1.00 0.00 C ATOM 1117 C PHE A 68 -1.638 9.072 1.221 1.00 0.00 C ATOM 1118 O PHE A 68 -0.551 9.539 1.590 1.00 0.00 O ATOM 1119 CB PHE A 68 -2.345 6.689 1.890 1.00 0.00 C ATOM 1120 CG PHE A 68 -2.723 5.317 1.358 1.00 0.00 C ATOM 1121 CD1 PHE A 68 -3.938 5.138 0.666 1.00 0.00 C ATOM 1122 CD2 PHE A 68 -1.843 4.227 1.501 1.00 0.00 C ATOM 1123 CE1 PHE A 68 -4.270 3.881 0.129 1.00 0.00 C ATOM 1124 CE2 PHE A 68 -2.172 2.973 0.959 1.00 0.00 C ATOM 1125 CZ PHE A 68 -3.384 2.798 0.268 1.00 0.00 C ATOM 0 H PHE A 68 -0.075 6.354 1.103 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.404 7.558 -0.064 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.629 6.576 2.704 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.229 7.171 2.308 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.617 5.970 0.548 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.910 4.356 2.030 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.207 3.747 -0.391 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.492 2.142 1.073 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.633 1.836 -0.154 1.00 0.00 H new ATOM 1135 N PRO A 69 -2.750 9.832 1.204 1.00 0.00 N ATOM 1136 CA PRO A 69 -2.823 11.145 1.832 1.00 0.00 C ATOM 1137 C PRO A 69 -2.825 10.961 3.362 1.00 0.00 C ATOM 1138 O PRO A 69 -2.491 9.891 3.875 1.00 0.00 O ATOM 1139 CB PRO A 69 -4.090 11.787 1.252 1.00 0.00 C ATOM 1140 CG PRO A 69 -5.025 10.597 1.070 1.00 0.00 C ATOM 1141 CD PRO A 69 -4.077 9.443 0.730 1.00 0.00 C ATOM 0 HA PRO A 69 -1.976 11.801 1.632 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -4.511 12.531 1.928 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -3.890 12.292 0.307 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -5.596 10.393 1.976 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -5.746 10.772 0.272 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -4.404 8.520 1.210 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -4.065 9.257 -0.344 1.00 0.00 H new ATOM 1149 N LYS A 70 -3.207 11.987 4.117 1.00 0.00 N ATOM 1150 CA LYS A 70 -3.555 11.855 5.528 1.00 0.00 C ATOM 1151 C LYS A 70 -5.064 12.078 5.617 1.00 0.00 C ATOM 1152 O LYS A 70 -5.512 13.191 5.352 1.00 0.00 O ATOM 1153 CB LYS A 70 -2.688 12.843 6.326 1.00 0.00 C ATOM 1154 CG LYS A 70 -3.080 13.028 7.799 1.00 0.00 C ATOM 1155 CD LYS A 70 -1.971 13.800 8.514 1.00 0.00 C ATOM 1156 CE LYS A 70 -2.367 14.060 9.967 1.00 0.00 C ATOM 1157 NZ LYS A 70 -1.274 14.680 10.744 1.00 0.00 N ATOM 0 H LYS A 70 -3.284 12.941 3.764 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.349 10.877 5.962 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.652 12.506 6.284 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.728 13.814 5.833 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.023 13.569 7.873 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.230 12.058 8.274 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.041 13.233 8.478 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.788 14.746 8.004 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.242 14.710 9.992 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.655 13.119 10.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.589 14.837 11.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.447 14.049 10.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.015 15.591 10.313 1.00 0.00 H new ATOM 1171 N GLY A 71 -5.844 11.029 5.886 1.00 0.00 N ATOM 1172 CA GLY A 71 -7.302 11.046 5.922 1.00 0.00 C ATOM 1173 C GLY A 71 -7.881 10.448 4.638 1.00 0.00 C ATOM 1174 O GLY A 71 -8.189 11.204 3.714 1.00 0.00 O ATOM 0 H GLY A 71 -5.458 10.108 6.093 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.656 10.481 6.784 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.656 12.070 6.044 1.00 0.00 H new ATOM 1178 N LEU A 72 -8.038 9.123 4.571 1.00 0.00 N ATOM 1179 CA LEU A 72 -8.698 8.373 3.496 1.00 0.00 C ATOM 1180 C LEU A 72 -9.352 7.155 4.124 1.00 0.00 C ATOM 1181 O LEU A 72 -8.643 6.277 4.609 1.00 0.00 O ATOM 1182 CB LEU A 72 -7.706 8.012 2.377 1.00 0.00 C ATOM 1183 CG LEU A 72 -8.344 7.201 1.227 1.00 0.00 C ATOM 1184 CD1 LEU A 72 -7.649 7.495 -0.102 1.00 0.00 C ATOM 1185 CD2 LEU A 72 -8.208 5.706 1.410 1.00 0.00 C ATOM 0 H LEU A 72 -7.688 8.509 5.307 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.464 8.980 3.013 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.279 8.929 1.971 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.883 7.438 2.803 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.393 7.498 1.232 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.117 6.911 -0.894 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.738 8.557 -0.332 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.595 7.227 -0.029 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.676 5.193 0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.152 5.440 1.456 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.698 5.407 2.336 1.00 0.00 H new ATOM 1197 N ARG A 73 -10.685 7.086 4.114 1.00 0.00 N ATOM 1198 CA ARG A 73 -11.381 5.823 4.317 1.00 0.00 C ATOM 1199 C ARG A 73 -11.395 5.097 2.981 1.00 0.00 C ATOM 1200 O ARG A 73 -11.748 5.685 1.956 1.00 0.00 O ATOM 1201 CB ARG A 73 -12.819 6.069 4.796 1.00 0.00 C ATOM 1202 CG ARG A 73 -13.524 4.754 5.166 1.00 0.00 C ATOM 1203 CD ARG A 73 -14.900 5.041 5.772 1.00 0.00 C ATOM 1204 NE ARG A 73 -15.702 3.812 5.897 1.00 0.00 N ATOM 1205 CZ ARG A 73 -16.940 3.599 5.439 1.00 0.00 C ATOM 1206 NH1 ARG A 73 -17.625 4.538 4.799 1.00 0.00 N ATOM 1207 NH2 ARG A 73 -17.501 2.415 5.624 1.00 0.00 N ATOM 0 H ARG A 73 -11.298 7.888 3.968 1.00 0.00 H new ATOM 0 HA ARG A 73 -10.876 5.229 5.079 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.807 6.732 5.661 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.382 6.577 4.013 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -13.633 4.130 4.279 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -12.916 4.195 5.877 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -14.778 5.498 6.754 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.430 5.761 5.149 1.00 0.00 H new ATOM 0 HE ARG A 73 -15.263 3.034 6.389 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -17.209 5.456 4.643 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -18.568 4.342 4.463 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -16.990 1.679 6.111 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -18.445 2.239 5.280 1.00 0.00 H new ATOM 1221 N CYS A 74 -11.059 3.817 2.969 1.00 0.00 N ATOM 1222 CA CYS A 74 -11.437 2.932 1.885 1.00 0.00 C ATOM 1223 C CYS A 74 -11.668 1.531 2.419 1.00 0.00 C ATOM 1224 O CYS A 74 -11.716 1.303 3.628 1.00 0.00 O ATOM 1225 CB CYS A 74 -10.375 2.962 0.794 1.00 0.00 C ATOM 1226 SG CYS A 74 -8.786 2.365 1.439 1.00 0.00 S ATOM 0 H CYS A 74 -10.519 3.366 3.708 1.00 0.00 H new ATOM 0 HA CYS A 74 -12.372 3.272 1.440 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -10.690 2.342 -0.046 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -10.262 3.978 0.415 1.00 0.00 H new ATOM 0 HG CYS A 74 -7.813 2.945 0.801 1.00 0.00 H new ATOM 1232 N ARG A 75 -11.833 0.573 1.510 1.00 0.00 N ATOM 1233 CA ARG A 75 -11.930 -0.811 1.906 1.00 0.00 C ATOM 1234 C ARG A 75 -10.610 -1.466 1.466 1.00 0.00 C ATOM 1235 O ARG A 75 -9.950 -0.919 0.576 1.00 0.00 O ATOM 1236 CB ARG A 75 -13.154 -1.408 1.262 1.00 0.00 C ATOM 1237 CG ARG A 75 -12.927 -2.216 0.025 1.00 0.00 C ATOM 1238 CD ARG A 75 -14.323 -2.506 -0.544 1.00 0.00 C ATOM 1239 NE ARG A 75 -15.129 -1.292 -0.790 1.00 0.00 N ATOM 1240 CZ ARG A 75 -16.456 -1.290 -0.941 1.00 0.00 C ATOM 1241 NH1 ARG A 75 -17.113 -2.413 -1.206 1.00 0.00 N ATOM 1242 NH2 ARG A 75 -17.128 -0.156 -0.817 1.00 0.00 N ATOM 0 H ARG A 75 -11.901 0.737 0.506 1.00 0.00 H new ATOM 0 HA ARG A 75 -12.053 -0.960 2.979 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -13.652 -2.041 1.997 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -13.842 -0.598 1.020 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -12.317 -1.669 -0.694 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.397 -3.141 0.253 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -14.217 -3.057 -1.479 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -14.860 -3.154 0.149 1.00 0.00 H new ATOM 0 HE ARG A 75 -14.641 -0.398 -0.848 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -16.604 -3.292 -1.297 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -18.127 -2.396 -1.319 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -16.632 0.710 -0.607 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -18.142 -0.149 -0.931 1.00 0.00 H new ATOM 1256 N TRP A 76 -10.271 -2.655 1.957 1.00 0.00 N ATOM 1257 CA TRP A 76 -9.085 -3.384 1.521 1.00 0.00 C ATOM 1258 C TRP A 76 -9.433 -4.838 1.262 1.00 0.00 C ATOM 1259 O TRP A 76 -9.916 -5.531 2.151 1.00 0.00 O ATOM 1260 CB TRP A 76 -7.965 -3.265 2.558 1.00 0.00 C ATOM 1261 CG TRP A 76 -6.884 -2.323 2.151 1.00 0.00 C ATOM 1262 CD1 TRP A 76 -7.037 -0.994 1.964 1.00 0.00 C ATOM 1263 CD2 TRP A 76 -5.479 -2.615 1.883 1.00 0.00 C ATOM 1264 NE1 TRP A 76 -5.839 -0.456 1.553 1.00 0.00 N ATOM 1265 CE2 TRP A 76 -4.838 -1.400 1.514 1.00 0.00 C ATOM 1266 CE3 TRP A 76 -4.666 -3.768 1.953 1.00 0.00 C ATOM 1267 CZ2 TRP A 76 -3.462 -1.318 1.259 1.00 0.00 C ATOM 1268 CZ3 TRP A 76 -3.278 -3.696 1.717 1.00 0.00 C ATOM 1269 CH2 TRP A 76 -2.674 -2.467 1.391 1.00 0.00 C ATOM 0 H TRP A 76 -10.814 -3.141 2.671 1.00 0.00 H new ATOM 0 HA TRP A 76 -8.726 -2.944 0.591 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -8.390 -2.933 3.505 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -7.533 -4.251 2.731 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -7.953 -0.442 2.113 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -5.708 0.525 1.307 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -5.115 -4.721 2.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -3.016 -0.380 0.964 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -2.675 -4.589 1.787 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -1.606 -2.411 1.243 1.00 0.00 H new ATOM 1280 N LYS A 77 -9.172 -5.308 0.047 1.00 0.00 N ATOM 1281 CA LYS A 77 -9.429 -6.670 -0.384 1.00 0.00 C ATOM 1282 C LYS A 77 -8.075 -7.280 -0.701 1.00 0.00 C ATOM 1283 O LYS A 77 -7.469 -6.878 -1.693 1.00 0.00 O ATOM 1284 CB LYS A 77 -10.363 -6.597 -1.599 1.00 0.00 C ATOM 1285 CG LYS A 77 -11.009 -7.938 -1.948 1.00 0.00 C ATOM 1286 CD LYS A 77 -11.932 -7.762 -3.163 1.00 0.00 C ATOM 1287 CE LYS A 77 -12.961 -8.889 -3.312 1.00 0.00 C ATOM 1288 NZ LYS A 77 -13.995 -8.843 -2.255 1.00 0.00 N ATOM 0 H LYS A 77 -8.762 -4.729 -0.686 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.919 -7.292 0.365 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.146 -5.865 -1.403 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -9.800 -6.238 -2.460 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.239 -8.678 -2.167 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -11.578 -8.312 -1.097 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.456 -6.810 -3.077 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -11.325 -7.712 -4.067 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -13.439 -8.816 -4.289 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -12.451 -9.852 -3.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -14.742 -9.534 -2.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -13.564 -9.073 -1.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -14.407 -7.889 -2.214 1.00 0.00 H new ATOM 1302 N VAL A 78 -7.548 -8.168 0.141 1.00 0.00 N ATOM 1303 CA VAL A 78 -6.424 -8.986 -0.265 1.00 0.00 C ATOM 1304 C VAL A 78 -7.039 -9.979 -1.234 1.00 0.00 C ATOM 1305 O VAL A 78 -8.074 -10.580 -0.942 1.00 0.00 O ATOM 1306 CB VAL A 78 -5.755 -9.693 0.928 1.00 0.00 C ATOM 1307 CG1 VAL A 78 -4.396 -10.264 0.531 1.00 0.00 C ATOM 1308 CG2 VAL A 78 -5.560 -8.745 2.121 1.00 0.00 C ATOM 0 H VAL A 78 -7.880 -8.332 1.091 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.623 -8.397 -0.712 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.425 -10.500 1.225 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.944 -10.758 1.391 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.526 -10.986 -0.275 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.746 -9.456 0.194 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.085 -9.284 2.941 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.928 -7.909 1.822 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.529 -8.368 2.448 1.00 0.00 H new ATOM 1318 N LEU A 79 -6.430 -10.106 -2.403 1.00 0.00 N ATOM 1319 CA LEU A 79 -6.813 -11.102 -3.388 1.00 0.00 C ATOM 1320 C LEU A 79 -5.742 -12.175 -3.501 1.00 0.00 C ATOM 1321 O LEU A 79 -6.057 -13.240 -4.014 1.00 0.00 O ATOM 1322 CB LEU A 79 -7.108 -10.422 -4.734 1.00 0.00 C ATOM 1323 CG LEU A 79 -8.325 -9.480 -4.676 1.00 0.00 C ATOM 1324 CD1 LEU A 79 -8.531 -8.792 -6.025 1.00 0.00 C ATOM 1325 CD2 LEU A 79 -9.602 -10.242 -4.317 1.00 0.00 C ATOM 0 H LEU A 79 -5.651 -9.516 -2.695 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.728 -11.600 -3.067 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.231 -9.856 -5.049 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -7.283 -11.187 -5.491 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.123 -8.737 -3.904 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -9.395 -8.130 -5.968 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.644 -8.210 -6.276 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.701 -9.544 -6.795 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.442 -9.549 -4.284 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.792 -11.008 -5.069 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.482 -10.713 -3.342 1.00 0.00 H new ATOM 1337 N GLU A 80 -4.532 -11.909 -2.996 1.00 0.00 N ATOM 1338 CA GLU A 80 -3.450 -12.867 -2.775 1.00 0.00 C ATOM 1339 C GLU A 80 -2.567 -12.318 -1.645 1.00 0.00 C ATOM 1340 O GLU A 80 -2.397 -11.096 -1.595 1.00 0.00 O ATOM 1341 CB GLU A 80 -2.567 -13.022 -4.026 1.00 0.00 C ATOM 1342 CG GLU A 80 -3.100 -13.884 -5.172 1.00 0.00 C ATOM 1343 CD GLU A 80 -3.065 -15.385 -4.875 1.00 0.00 C ATOM 1344 OE1 GLU A 80 -1.965 -15.928 -4.628 1.00 0.00 O ATOM 1345 OE2 GLU A 80 -4.106 -16.061 -4.996 1.00 0.00 O ATOM 0 H GLU A 80 -4.270 -10.964 -2.715 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.884 -13.837 -2.532 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -2.367 -12.026 -4.421 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.610 -13.438 -3.711 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -4.126 -13.589 -5.391 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -2.513 -13.685 -6.069 1.00 0.00 H new ATOM 1352 N PRO A 81 -1.988 -13.166 -0.774 1.00 0.00 N ATOM 1353 CA PRO A 81 -1.345 -12.755 0.476 1.00 0.00 C ATOM 1354 C PRO A 81 -0.229 -11.734 0.227 1.00 0.00 C ATOM 1355 O PRO A 81 0.692 -11.976 -0.556 1.00 0.00 O ATOM 1356 CB PRO A 81 -0.839 -14.048 1.136 1.00 0.00 C ATOM 1357 CG PRO A 81 -0.740 -15.036 -0.025 1.00 0.00 C ATOM 1358 CD PRO A 81 -1.888 -14.609 -0.935 1.00 0.00 C ATOM 0 HA PRO A 81 -2.042 -12.241 1.138 1.00 0.00 H new ATOM 0 HB2 PRO A 81 0.127 -13.899 1.618 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -1.527 -14.401 1.904 1.00 0.00 H new ATOM 0 HG2 PRO A 81 0.223 -14.969 -0.531 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -0.853 -16.067 0.311 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -1.688 -14.876 -1.973 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -2.818 -15.102 -0.653 1.00 0.00 H new ATOM 1366 N VAL A 82 -0.303 -10.590 0.907 1.00 0.00 N ATOM 1367 CA VAL A 82 0.399 -9.363 0.573 1.00 0.00 C ATOM 1368 C VAL A 82 1.304 -8.901 1.725 1.00 0.00 C ATOM 1369 O VAL A 82 0.958 -8.138 2.638 1.00 0.00 O ATOM 1370 CB VAL A 82 -0.617 -8.326 0.080 1.00 0.00 C ATOM 1371 CG1 VAL A 82 -1.541 -7.857 1.209 1.00 0.00 C ATOM 1372 CG2 VAL A 82 0.119 -7.144 -0.555 1.00 0.00 C ATOM 0 H VAL A 82 -0.881 -10.495 1.742 1.00 0.00 H new ATOM 0 HA VAL A 82 1.095 -9.528 -0.250 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.250 -8.796 -0.673 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.247 -7.123 0.820 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.089 -8.710 1.609 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.946 -7.404 2.002 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.606 -6.409 -0.904 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.775 -6.684 0.184 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.714 -7.496 -1.398 1.00 0.00 H new ATOM 1382 N ARG A 83 2.543 -9.339 1.637 1.00 0.00 N ATOM 1383 CA ARG A 83 3.620 -8.870 2.493 1.00 0.00 C ATOM 1384 C ARG A 83 4.058 -7.528 1.935 1.00 0.00 C ATOM 1385 O ARG A 83 4.420 -7.415 0.759 1.00 0.00 O ATOM 1386 CB ARG A 83 4.753 -9.910 2.534 1.00 0.00 C ATOM 1387 CG ARG A 83 4.686 -10.760 3.797 1.00 0.00 C ATOM 1388 CD ARG A 83 5.763 -11.843 3.749 1.00 0.00 C ATOM 1389 NE ARG A 83 5.215 -13.160 3.403 1.00 0.00 N ATOM 1390 CZ ARG A 83 4.751 -14.093 4.241 1.00 0.00 C ATOM 1391 NH1 ARG A 83 4.859 -13.938 5.560 1.00 0.00 N ATOM 1392 NH2 ARG A 83 4.162 -15.173 3.746 1.00 0.00 N ATOM 0 H ARG A 83 2.838 -10.042 0.959 1.00 0.00 H new ATOM 0 HA ARG A 83 3.304 -8.742 3.528 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.689 -10.554 1.657 1.00 0.00 H new ATOM 0 HB3 ARG A 83 5.716 -9.402 2.487 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.827 -10.132 4.677 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.701 -11.218 3.887 1.00 0.00 H new ATOM 0 HD2 ARG A 83 6.522 -11.565 3.018 1.00 0.00 H new ATOM 0 HD3 ARG A 83 6.259 -11.902 4.718 1.00 0.00 H new ATOM 0 HE ARG A 83 5.185 -13.390 2.410 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.300 -13.100 5.941 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.501 -14.657 6.189 1.00 0.00 H new ATOM 0 HH21 ARG A 83 4.067 -15.285 2.737 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.804 -15.892 4.375 1.00 0.00 H new ATOM 1406 N LYS A 84 3.939 -6.487 2.756 1.00 0.00 N ATOM 1407 CA LYS A 84 4.451 -5.163 2.427 1.00 0.00 C ATOM 1408 C LYS A 84 5.311 -4.656 3.579 1.00 0.00 C ATOM 1409 O LYS A 84 5.129 -5.035 4.740 1.00 0.00 O ATOM 1410 CB LYS A 84 3.298 -4.214 2.022 1.00 0.00 C ATOM 1411 CG LYS A 84 2.708 -3.310 3.116 1.00 0.00 C ATOM 1412 CD LYS A 84 2.038 -4.028 4.292 1.00 0.00 C ATOM 1413 CE LYS A 84 0.534 -4.211 4.075 1.00 0.00 C ATOM 1414 NZ LYS A 84 0.205 -5.464 3.370 1.00 0.00 N ATOM 0 H LYS A 84 3.485 -6.540 3.668 1.00 0.00 H new ATOM 0 HA LYS A 84 5.099 -5.208 1.551 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.655 -3.576 1.214 1.00 0.00 H new ATOM 0 HB3 LYS A 84 2.490 -4.821 1.615 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.506 -2.680 3.508 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.975 -2.647 2.656 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.504 -5.003 4.434 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.205 -3.459 5.206 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.029 -4.200 5.041 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.149 -3.366 3.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.636 -5.896 3.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 0.012 -5.259 2.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.007 -6.122 3.440 1.00 0.00 H new ATOM 1428 N HIS A 85 6.195 -3.728 3.248 1.00 0.00 N ATOM 1429 CA HIS A 85 6.848 -2.831 4.185 1.00 0.00 C ATOM 1430 C HIS A 85 6.007 -1.565 4.176 1.00 0.00 C ATOM 1431 O HIS A 85 5.611 -1.119 3.094 1.00 0.00 O ATOM 1432 CB HIS A 85 8.282 -2.556 3.705 1.00 0.00 C ATOM 1433 CG HIS A 85 9.271 -3.580 4.202 1.00 0.00 C ATOM 1434 ND1 HIS A 85 10.022 -4.450 3.443 1.00 0.00 N ATOM 1435 CD2 HIS A 85 9.622 -3.769 5.509 1.00 0.00 C ATOM 1436 CE1 HIS A 85 10.767 -5.181 4.287 1.00 0.00 C ATOM 1437 NE2 HIS A 85 10.575 -4.793 5.551 1.00 0.00 N ATOM 0 H HIS A 85 6.487 -3.574 2.283 1.00 0.00 H new ATOM 0 HA HIS A 85 6.921 -3.243 5.192 1.00 0.00 H new ATOM 0 HB2 HIS A 85 8.299 -2.540 2.615 1.00 0.00 H new ATOM 0 HB3 HIS A 85 8.590 -1.566 4.043 1.00 0.00 H new ATOM 0 HD2 HIS A 85 9.234 -3.225 6.358 1.00 0.00 H new ATOM 0 HE1 HIS A 85 11.432 -5.976 3.985 1.00 0.00 H new ATOM 0 HE2 HIS A 85 11.032 -5.169 6.382 1.00 0.00 H new ATOM 1445 N TYR A 86 5.721 -0.995 5.344 1.00 0.00 N ATOM 1446 CA TYR A 86 4.952 0.242 5.460 1.00 0.00 C ATOM 1447 C TYR A 86 5.687 1.227 6.366 1.00 0.00 C ATOM 1448 O TYR A 86 6.578 0.841 7.120 1.00 0.00 O ATOM 1449 CB TYR A 86 3.521 -0.042 5.942 1.00 0.00 C ATOM 1450 CG TYR A 86 3.434 -0.418 7.408 1.00 0.00 C ATOM 1451 CD1 TYR A 86 3.877 -1.685 7.834 1.00 0.00 C ATOM 1452 CD2 TYR A 86 2.973 0.519 8.354 1.00 0.00 C ATOM 1453 CE1 TYR A 86 3.901 -1.997 9.200 1.00 0.00 C ATOM 1454 CE2 TYR A 86 2.984 0.205 9.725 1.00 0.00 C ATOM 1455 CZ TYR A 86 3.460 -1.056 10.151 1.00 0.00 C ATOM 1456 OH TYR A 86 3.524 -1.379 11.469 1.00 0.00 O ATOM 0 H TYR A 86 6.017 -1.380 6.241 1.00 0.00 H new ATOM 0 HA TYR A 86 4.861 0.701 4.476 1.00 0.00 H new ATOM 0 HB2 TYR A 86 2.906 0.840 5.765 1.00 0.00 H new ATOM 0 HB3 TYR A 86 3.099 -0.849 5.343 1.00 0.00 H new ATOM 0 HD1 TYR A 86 4.198 -2.417 7.108 1.00 0.00 H new ATOM 0 HD2 TYR A 86 2.610 1.482 8.025 1.00 0.00 H new ATOM 0 HE1 TYR A 86 4.259 -2.963 9.525 1.00 0.00 H new ATOM 0 HE2 TYR A 86 2.630 0.924 10.449 1.00 0.00 H new ATOM 0 HH TYR A 86 3.187 -0.632 12.006 1.00 0.00 H new ATOM 1466 N ASN A 87 5.346 2.508 6.262 1.00 0.00 N ATOM 1467 CA ASN A 87 6.035 3.607 6.917 1.00 0.00 C ATOM 1468 C ASN A 87 5.042 4.754 7.032 1.00 0.00 C ATOM 1469 O ASN A 87 4.713 5.383 6.027 1.00 0.00 O ATOM 1470 CB ASN A 87 7.261 4.000 6.083 1.00 0.00 C ATOM 1471 CG ASN A 87 8.102 5.083 6.736 1.00 0.00 C ATOM 1472 OD1 ASN A 87 7.635 6.181 7.018 1.00 0.00 O ATOM 1473 ND2 ASN A 87 9.381 4.818 6.946 1.00 0.00 N ATOM 0 H ASN A 87 4.554 2.817 5.699 1.00 0.00 H new ATOM 0 HA ASN A 87 6.389 3.333 7.911 1.00 0.00 H new ATOM 0 HB2 ASN A 87 7.879 3.118 5.918 1.00 0.00 H new ATOM 0 HB3 ASN A 87 6.931 4.345 5.103 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.990 5.531 7.347 1.00 0.00 H new ATOM 0 HD22 ASN A 87 9.758 3.901 6.707 1.00 0.00 H new ATOM 1480 N LEU A 88 4.499 4.964 8.230 1.00 0.00 N ATOM 1481 CA LEU A 88 3.680 6.131 8.541 1.00 0.00 C ATOM 1482 C LEU A 88 4.619 7.331 8.699 1.00 0.00 C ATOM 1483 O LEU A 88 5.707 7.169 9.277 1.00 0.00 O ATOM 1484 CB LEU A 88 2.921 5.904 9.867 1.00 0.00 C ATOM 1485 CG LEU A 88 2.005 4.666 9.931 1.00 0.00 C ATOM 1486 CD1 LEU A 88 1.502 4.484 11.365 1.00 0.00 C ATOM 1487 CD2 LEU A 88 0.815 4.771 8.977 1.00 0.00 C ATOM 0 H LEU A 88 4.617 4.324 9.016 1.00 0.00 H new ATOM 0 HA LEU A 88 2.955 6.304 7.746 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.653 5.829 10.671 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.315 6.787 10.069 1.00 0.00 H new ATOM 0 HG LEU A 88 2.593 3.803 9.620 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.854 3.609 11.415 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.351 4.345 12.034 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.942 5.368 11.669 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.201 3.874 9.061 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.217 5.645 9.236 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.177 4.869 7.953 1.00 0.00 H new ATOM 1499 N PHE A 89 4.195 8.534 8.302 1.00 0.00 N ATOM 1500 CA PHE A 89 4.847 9.781 8.680 1.00 0.00 C ATOM 1501 C PHE A 89 3.845 10.926 8.750 1.00 0.00 C ATOM 1502 O PHE A 89 4.253 11.938 9.363 1.00 0.00 O ATOM 1503 CB PHE A 89 6.012 10.121 7.736 1.00 0.00 C ATOM 1504 CG PHE A 89 5.614 10.462 6.317 1.00 0.00 C ATOM 1505 CD1 PHE A 89 5.407 9.428 5.393 1.00 0.00 C ATOM 1506 CD2 PHE A 89 5.430 11.801 5.919 1.00 0.00 C ATOM 1507 CE1 PHE A 89 5.017 9.734 4.084 1.00 0.00 C ATOM 1508 CE2 PHE A 89 5.045 12.101 4.598 1.00 0.00 C ATOM 1509 CZ PHE A 89 4.838 11.064 3.674 1.00 0.00 C ATOM 0 H PHE A 89 3.380 8.666 7.703 1.00 0.00 H new ATOM 0 HA PHE A 89 5.266 9.640 9.676 1.00 0.00 H new ATOM 0 HB2 PHE A 89 6.563 10.963 8.154 1.00 0.00 H new ATOM 0 HB3 PHE A 89 6.697 9.273 7.710 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.548 8.399 5.690 1.00 0.00 H new ATOM 0 HD2 PHE A 89 5.585 12.600 6.629 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.851 8.934 3.378 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.909 13.129 4.296 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.544 11.288 2.659 1.00 0.00 H new TER 1519 PHE A 89