USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 600 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 26 THR OG1 : rot -160:sc= -0.0335 USER MOD Set 1.2: A 28 SER OG : rot 86:sc= 0.679 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= 0.659 K(o=0.66,f=-2.3!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -168:sc= 1.17 (180deg=0.921) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc=-0.000276 K(o=-0.00028,f=-0.84) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -67:sc= 0.828 USER MOD Single : A 29 SER OG : rot 153:sc= 0.332 USER MOD Single : A 31 LYS NZ :NH3+ 176:sc= 0.96 (180deg=0.947) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HE2:sc= 0.746 K(o=0.75,f=-2.8!) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -138:sc= -0.0105 (180deg=-1.64) USER MOD Single : A 46 GLN : amide:sc= 0.861 K(o=0.86,f=-0.0095) USER MOD Single : A 48 TYR OH : rot 165:sc= 0.489 USER MOD Single : A 49 TYR OH : rot 110:sc= 0.888 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.138 K(o=-0.14,f=-0.71) USER MOD Single : A 62 ASN : amide:sc= 1.23 K(o=1.2,f=-6.2!) USER MOD Single : A 64 TYR OH : rot 60:sc= 0.224 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.248 USER MOD Single : A 70 SER OG : rot 55:sc= 0.537 USER MOD ----------------------------------------------------------------- ATOM 37 N ARG A 4 -6.369 14.651 8.968 1.00 0.00 N ATOM 38 CA ARG A 4 -6.062 13.247 9.218 1.00 0.00 C ATOM 39 C ARG A 4 -6.139 12.436 7.928 1.00 0.00 C ATOM 40 O ARG A 4 -6.358 11.224 7.956 1.00 0.00 O ATOM 41 CB ARG A 4 -6.940 12.650 10.307 1.00 0.00 C ATOM 42 CG ARG A 4 -6.844 13.343 11.657 1.00 0.00 C ATOM 43 CD ARG A 4 -7.768 12.805 12.689 1.00 0.00 C ATOM 44 NE ARG A 4 -7.792 13.562 13.929 1.00 0.00 N ATOM 45 CZ ARG A 4 -8.571 13.270 14.989 1.00 0.00 C ATOM 46 NH1 ARG A 4 -9.416 12.264 14.952 1.00 0.00 N ATOM 47 NH2 ARG A 4 -8.480 14.038 16.062 1.00 0.00 N ATOM 0 HA ARG A 4 -5.037 13.200 9.586 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -7.977 12.678 9.973 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -6.674 11.601 10.434 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -5.821 13.259 12.023 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -7.048 14.405 11.522 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -8.776 12.776 12.276 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -7.485 11.776 12.911 1.00 0.00 H new ATOM 0 HE ARG A 4 -7.176 14.371 14.002 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -9.490 11.690 14.112 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -9.998 12.057 15.763 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -7.833 14.826 16.071 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -9.057 13.842 16.880 1.00 0.00 H new ATOM 61 N LYS A 5 -5.958 13.111 6.798 1.00 0.00 N ATOM 62 CA LYS A 5 -5.893 12.440 5.506 1.00 0.00 C ATOM 63 C LYS A 5 -4.463 12.415 4.977 1.00 0.00 C ATOM 64 O LYS A 5 -3.709 13.373 5.153 1.00 0.00 O ATOM 65 CB LYS A 5 -6.818 13.124 4.498 1.00 0.00 C ATOM 66 CG LYS A 5 -8.297 13.052 4.852 1.00 0.00 C ATOM 67 CD LYS A 5 -9.147 13.796 3.833 1.00 0.00 C ATOM 68 CE LYS A 5 -10.623 13.751 4.202 1.00 0.00 C ATOM 69 NZ LYS A 5 -11.468 14.468 3.209 1.00 0.00 N ATOM 0 H LYS A 5 -5.854 14.125 6.751 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.226 11.411 5.644 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.529 14.171 4.410 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.669 12.669 3.519 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.611 12.009 4.899 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.457 13.478 5.842 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.818 14.833 3.770 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.004 13.356 2.846 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.948 12.713 4.272 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.764 14.196 5.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.466 14.413 3.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -11.176 15.465 3.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.354 14.028 2.274 1.00 0.00 H new ATOM 83 N ILE A 6 -4.095 11.316 4.326 1.00 0.00 N ATOM 84 CA ILE A 6 -2.747 11.156 3.797 1.00 0.00 C ATOM 85 C ILE A 6 -2.775 10.558 2.394 1.00 0.00 C ATOM 86 O ILE A 6 -3.703 9.833 2.035 1.00 0.00 O ATOM 87 CB ILE A 6 -1.884 10.266 4.709 1.00 0.00 C ATOM 88 CG1 ILE A 6 -2.522 8.882 4.864 1.00 0.00 C ATOM 89 CG2 ILE A 6 -1.695 10.923 6.068 1.00 0.00 C ATOM 90 CD1 ILE A 6 -1.656 7.891 5.606 1.00 0.00 C ATOM 0 H ILE A 6 -4.713 10.523 4.153 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.304 12.151 3.755 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.904 10.143 4.247 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.471 8.986 5.390 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.748 8.484 3.875 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -1.083 10.281 6.701 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.200 11.886 5.941 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.667 11.074 6.537 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.175 6.935 5.676 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.717 7.756 5.070 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.451 8.266 6.609 1.00 0.00 H new ATOM 102 N HIS A 7 -1.750 10.866 1.606 1.00 0.00 N ATOM 103 CA HIS A 7 -1.566 10.226 0.308 1.00 0.00 C ATOM 104 C HIS A 7 -0.310 9.360 0.302 1.00 0.00 C ATOM 105 O HIS A 7 0.710 9.721 0.889 1.00 0.00 O ATOM 106 CB HIS A 7 -1.487 11.274 -0.807 1.00 0.00 C ATOM 107 CG HIS A 7 -2.746 12.066 -0.979 1.00 0.00 C ATOM 108 ND1 HIS A 7 -3.029 13.185 -0.225 1.00 0.00 N ATOM 109 CD2 HIS A 7 -3.797 11.900 -1.815 1.00 0.00 C ATOM 110 CE1 HIS A 7 -4.200 13.675 -0.592 1.00 0.00 C ATOM 111 NE2 HIS A 7 -4.686 12.913 -1.556 1.00 0.00 N ATOM 0 H HIS A 7 -1.035 11.554 1.843 1.00 0.00 H new ATOM 0 HA HIS A 7 -2.429 9.586 0.126 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -0.665 11.957 -0.594 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -1.251 10.775 -1.747 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -3.914 11.117 -2.549 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -4.678 14.549 -0.175 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -5.578 13.055 -2.031 1.00 0.00 H new ATOM 118 N VAL A 8 -0.392 8.213 -0.365 1.00 0.00 N ATOM 119 CA VAL A 8 0.726 7.277 -0.419 1.00 0.00 C ATOM 120 C VAL A 8 1.172 7.038 -1.856 1.00 0.00 C ATOM 121 O VAL A 8 0.348 6.840 -2.750 1.00 0.00 O ATOM 122 CB VAL A 8 0.366 5.928 0.230 1.00 0.00 C ATOM 123 CG1 VAL A 8 1.540 4.964 0.140 1.00 0.00 C ATOM 124 CG2 VAL A 8 -0.050 6.126 1.679 1.00 0.00 C ATOM 0 H VAL A 8 -1.221 7.909 -0.876 1.00 0.00 H new ATOM 0 HA VAL A 8 1.544 7.730 0.141 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.476 5.499 -0.313 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.268 4.016 0.603 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.794 4.797 -0.907 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.400 5.388 0.659 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.301 5.162 2.121 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.772 6.577 2.235 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.920 6.781 1.721 1.00 0.00 H new ATOM 134 N THR A 9 2.484 7.056 -2.074 1.00 0.00 N ATOM 135 CA THR A 9 3.040 6.861 -3.406 1.00 0.00 C ATOM 136 C THR A 9 3.242 5.379 -3.706 1.00 0.00 C ATOM 137 O THR A 9 4.004 4.695 -3.022 1.00 0.00 O ATOM 138 CB THR A 9 4.384 7.595 -3.570 1.00 0.00 C ATOM 139 OG1 THR A 9 4.186 9.003 -3.389 1.00 0.00 O ATOM 140 CG2 THR A 9 4.965 7.342 -4.953 1.00 0.00 C ATOM 0 H THR A 9 3.181 7.204 -1.344 1.00 0.00 H new ATOM 0 HA THR A 9 2.321 7.278 -4.111 1.00 0.00 H new ATOM 0 HB THR A 9 5.081 7.219 -2.821 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.042 9.470 -3.492 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.914 7.868 -5.051 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.127 6.273 -5.089 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.270 7.703 -5.711 1.00 0.00 H new ATOM 148 N VAL A 10 2.554 4.889 -4.733 1.00 0.00 N ATOM 149 CA VAL A 10 2.618 3.478 -5.091 1.00 0.00 C ATOM 150 C VAL A 10 3.631 3.239 -6.206 1.00 0.00 C ATOM 151 O VAL A 10 3.459 3.715 -7.329 1.00 0.00 O ATOM 152 CB VAL A 10 1.243 2.945 -5.536 1.00 0.00 C ATOM 153 CG1 VAL A 10 1.326 1.460 -5.860 1.00 0.00 C ATOM 154 CG2 VAL A 10 0.200 3.195 -4.457 1.00 0.00 C ATOM 0 H VAL A 10 1.946 5.449 -5.331 1.00 0.00 H new ATOM 0 HA VAL A 10 2.933 2.940 -4.197 1.00 0.00 H new ATOM 0 HB VAL A 10 0.943 3.479 -6.437 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.346 1.100 -6.173 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.044 1.303 -6.665 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.648 0.912 -4.975 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.765 2.812 -4.788 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.497 2.687 -3.540 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.120 4.266 -4.269 1.00 0.00 H new ATOM 164 N LYS A 11 4.687 2.497 -5.890 1.00 0.00 N ATOM 165 CA LYS A 11 5.758 2.244 -6.846 1.00 0.00 C ATOM 166 C LYS A 11 5.678 0.822 -7.389 1.00 0.00 C ATOM 167 O LYS A 11 5.839 -0.148 -6.647 1.00 0.00 O ATOM 168 CB LYS A 11 7.124 2.486 -6.200 1.00 0.00 C ATOM 169 CG LYS A 11 7.361 3.922 -5.751 1.00 0.00 C ATOM 170 CD LYS A 11 8.768 4.104 -5.199 1.00 0.00 C ATOM 171 CE LYS A 11 8.999 5.533 -4.732 1.00 0.00 C ATOM 172 NZ LYS A 11 10.403 5.753 -4.291 1.00 0.00 N ATOM 0 H LYS A 11 4.824 2.060 -4.978 1.00 0.00 H new ATOM 0 HA LYS A 11 5.636 2.937 -7.678 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.227 1.827 -5.338 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.903 2.207 -6.910 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.208 4.598 -6.592 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.631 4.192 -4.988 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.926 3.418 -4.367 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.498 3.848 -5.967 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.761 6.222 -5.542 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.320 5.760 -3.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.472 6.665 -3.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.689 4.987 -3.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.030 5.762 -5.121 1.00 0.00 H new ATOM 186 N PHE A 12 5.430 0.702 -8.689 1.00 0.00 N ATOM 187 CA PHE A 12 5.735 -0.524 -9.417 1.00 0.00 C ATOM 188 C PHE A 12 6.960 -0.336 -10.307 1.00 0.00 C ATOM 189 O PHE A 12 7.323 0.780 -10.679 1.00 0.00 O ATOM 190 CB PHE A 12 4.534 -0.963 -10.256 1.00 0.00 C ATOM 191 CG PHE A 12 3.358 -1.419 -9.439 1.00 0.00 C ATOM 192 CD1 PHE A 12 3.272 -2.728 -8.990 1.00 0.00 C ATOM 193 CD2 PHE A 12 2.337 -0.538 -9.118 1.00 0.00 C ATOM 194 CE1 PHE A 12 2.192 -3.149 -8.240 1.00 0.00 C ATOM 195 CE2 PHE A 12 1.254 -0.956 -8.366 1.00 0.00 C ATOM 196 CZ PHE A 12 1.182 -2.261 -7.927 1.00 0.00 C ATOM 0 H PHE A 12 5.018 1.440 -9.260 1.00 0.00 H new ATOM 0 HA PHE A 12 5.956 -1.304 -8.688 1.00 0.00 H new ATOM 0 HB2 PHE A 12 4.224 -0.133 -10.891 1.00 0.00 H new ATOM 0 HB3 PHE A 12 4.841 -1.773 -10.917 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.060 -3.427 -9.230 1.00 0.00 H new ATOM 0 HD2 PHE A 12 2.388 0.486 -9.459 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.137 -4.172 -7.898 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.465 -0.260 -8.123 1.00 0.00 H new ATOM 0 HZ PHE A 12 0.337 -2.588 -7.339 1.00 0.00 H new ATOM 206 N PRO A 13 7.613 -1.454 -10.658 1.00 0.00 N ATOM 207 CA PRO A 13 8.744 -1.451 -11.591 1.00 0.00 C ATOM 208 C PRO A 13 8.356 -0.928 -12.970 1.00 0.00 C ATOM 209 O PRO A 13 9.203 -0.447 -13.722 1.00 0.00 O ATOM 210 CB PRO A 13 9.186 -2.917 -11.642 1.00 0.00 C ATOM 211 CG PRO A 13 7.978 -3.683 -11.219 1.00 0.00 C ATOM 212 CD PRO A 13 7.300 -2.822 -10.187 1.00 0.00 C ATOM 0 HA PRO A 13 9.542 -0.784 -11.265 1.00 0.00 H new ATOM 0 HB2 PRO A 13 9.506 -3.201 -12.645 1.00 0.00 H new ATOM 0 HB3 PRO A 13 10.028 -3.102 -10.975 1.00 0.00 H new ATOM 0 HG2 PRO A 13 7.318 -3.875 -12.065 1.00 0.00 H new ATOM 0 HG3 PRO A 13 8.253 -4.652 -10.803 1.00 0.00 H new ATOM 0 HD2 PRO A 13 6.226 -3.003 -10.150 1.00 0.00 H new ATOM 0 HD3 PRO A 13 7.689 -3.006 -9.186 1.00 0.00 H new ATOM 220 N SER A 14 7.071 -1.029 -13.296 1.00 0.00 N ATOM 221 CA SER A 14 6.591 -0.679 -14.627 1.00 0.00 C ATOM 222 C SER A 14 6.014 0.734 -14.642 1.00 0.00 C ATOM 223 O SER A 14 6.058 1.425 -15.660 1.00 0.00 O ATOM 224 CB SER A 14 5.552 -1.681 -15.089 1.00 0.00 C ATOM 225 OG SER A 14 4.406 -1.661 -14.283 1.00 0.00 O ATOM 0 H SER A 14 6.344 -1.350 -12.656 1.00 0.00 H new ATOM 0 HA SER A 14 7.436 -0.707 -15.315 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.273 -1.464 -16.120 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.984 -2.682 -15.079 1.00 0.00 H new ATOM 0 HG SER A 14 3.761 -2.320 -14.615 1.00 0.00 H new ATOM 231 N LYS A 15 5.475 1.159 -13.504 1.00 0.00 N ATOM 232 CA LYS A 15 4.773 2.434 -13.417 1.00 0.00 C ATOM 233 C LYS A 15 4.576 2.849 -11.963 1.00 0.00 C ATOM 234 O LYS A 15 4.676 2.024 -11.055 1.00 0.00 O ATOM 235 CB LYS A 15 3.423 2.353 -14.131 1.00 0.00 C ATOM 236 CG LYS A 15 2.427 1.396 -13.488 1.00 0.00 C ATOM 237 CD LYS A 15 1.106 1.384 -14.241 1.00 0.00 C ATOM 238 CE LYS A 15 0.129 0.389 -13.631 1.00 0.00 C ATOM 239 NZ LYS A 15 -1.154 0.335 -14.383 1.00 0.00 N ATOM 0 H LYS A 15 5.511 0.638 -12.628 1.00 0.00 H new ATOM 0 HA LYS A 15 5.385 3.190 -13.910 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.982 3.349 -14.163 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.590 2.045 -15.163 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.846 0.390 -13.469 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.255 1.689 -12.452 1.00 0.00 H new ATOM 0 HD2 LYS A 15 0.668 2.382 -14.227 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.283 1.129 -15.286 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.583 -0.602 -13.616 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.069 0.664 -12.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.791 -0.354 -13.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.600 1.274 -14.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.969 0.047 -15.365 1.00 0.00 H new ATOM 253 N GLN A 16 4.295 4.131 -11.752 1.00 0.00 N ATOM 254 CA GLN A 16 4.009 4.638 -10.415 1.00 0.00 C ATOM 255 C GLN A 16 2.731 5.472 -10.412 1.00 0.00 C ATOM 256 O GLN A 16 2.363 6.068 -11.424 1.00 0.00 O ATOM 257 CB GLN A 16 5.178 5.480 -9.897 1.00 0.00 C ATOM 258 CG GLN A 16 6.490 4.722 -9.789 1.00 0.00 C ATOM 259 CD GLN A 16 7.615 5.585 -9.250 1.00 0.00 C ATOM 260 OE1 GLN A 16 7.455 6.796 -9.071 1.00 0.00 O ATOM 261 NE2 GLN A 16 8.762 4.968 -8.993 1.00 0.00 N ATOM 0 H GLN A 16 4.259 4.836 -12.488 1.00 0.00 H new ATOM 0 HA GLN A 16 3.869 3.781 -9.756 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.318 6.334 -10.560 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.919 5.877 -8.916 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.355 3.858 -9.138 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.768 4.340 -10.771 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.849 3.965 -9.156 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.556 5.497 -8.632 1.00 0.00 H new ATOM 270 N PHE A 17 2.057 5.509 -9.267 1.00 0.00 N ATOM 271 CA PHE A 17 0.864 6.333 -9.107 1.00 0.00 C ATOM 272 C PHE A 17 0.559 6.567 -7.632 1.00 0.00 C ATOM 273 O PHE A 17 1.087 5.879 -6.759 1.00 0.00 O ATOM 274 CB PHE A 17 -0.335 5.678 -9.798 1.00 0.00 C ATOM 275 CG PHE A 17 -0.659 4.307 -9.278 1.00 0.00 C ATOM 276 CD1 PHE A 17 -1.523 4.141 -8.205 1.00 0.00 C ATOM 277 CD2 PHE A 17 -0.100 3.179 -9.860 1.00 0.00 C ATOM 278 CE1 PHE A 17 -1.822 2.881 -7.727 1.00 0.00 C ATOM 279 CE2 PHE A 17 -0.399 1.916 -9.384 1.00 0.00 C ATOM 280 CZ PHE A 17 -1.260 1.767 -8.316 1.00 0.00 C ATOM 0 H PHE A 17 2.317 4.978 -8.436 1.00 0.00 H new ATOM 0 HA PHE A 17 1.054 7.299 -9.575 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.208 6.319 -9.675 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.135 5.613 -10.868 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.967 5.008 -7.738 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.577 3.289 -10.695 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.496 2.767 -6.891 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.041 1.046 -9.848 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.493 0.781 -7.942 1.00 0.00 H new ATOM 290 N THR A 18 -0.298 7.549 -7.360 1.00 0.00 N ATOM 291 CA THR A 18 -0.585 7.954 -5.991 1.00 0.00 C ATOM 292 C THR A 18 -1.996 7.548 -5.581 1.00 0.00 C ATOM 293 O THR A 18 -2.928 7.613 -6.384 1.00 0.00 O ATOM 294 CB THR A 18 -0.425 9.474 -5.806 1.00 0.00 C ATOM 295 OG1 THR A 18 0.919 9.857 -6.124 1.00 0.00 O ATOM 296 CG2 THR A 18 -0.736 9.873 -4.372 1.00 0.00 C ATOM 0 H THR A 18 -0.804 8.077 -8.071 1.00 0.00 H new ATOM 0 HA THR A 18 0.137 7.442 -5.354 1.00 0.00 H new ATOM 0 HB THR A 18 -1.123 9.981 -6.472 1.00 0.00 H new ATOM 0 HG1 THR A 18 1.020 10.825 -6.008 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.618 10.951 -4.260 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.762 9.594 -4.131 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.052 9.361 -3.695 1.00 0.00 H new ATOM 304 N VAL A 19 -2.148 7.131 -4.328 1.00 0.00 N ATOM 305 CA VAL A 19 -3.456 6.766 -3.797 1.00 0.00 C ATOM 306 C VAL A 19 -3.781 7.566 -2.540 1.00 0.00 C ATOM 307 O VAL A 19 -2.883 7.979 -1.808 1.00 0.00 O ATOM 308 CB VAL A 19 -3.535 5.262 -3.474 1.00 0.00 C ATOM 309 CG1 VAL A 19 -3.359 4.436 -4.739 1.00 0.00 C ATOM 310 CG2 VAL A 19 -2.484 4.883 -2.442 1.00 0.00 C ATOM 0 H VAL A 19 -1.381 7.038 -3.662 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.187 6.999 -4.571 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.520 5.051 -3.058 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.418 3.376 -4.492 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.146 4.687 -5.450 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.387 4.652 -5.182 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.554 3.817 -2.226 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.492 5.109 -2.833 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.651 5.451 -1.527 1.00 0.00 H new ATOM 320 N GLU A 20 -5.070 7.777 -2.296 1.00 0.00 N ATOM 321 CA GLU A 20 -5.512 8.577 -1.160 1.00 0.00 C ATOM 322 C GLU A 20 -6.137 7.695 -0.085 1.00 0.00 C ATOM 323 O GLU A 20 -7.087 6.956 -0.344 1.00 0.00 O ATOM 324 CB GLU A 20 -6.509 9.647 -1.612 1.00 0.00 C ATOM 325 CG GLU A 20 -6.949 10.601 -0.510 1.00 0.00 C ATOM 326 CD GLU A 20 -7.843 11.683 -1.048 1.00 0.00 C ATOM 327 OE1 GLU A 20 -7.416 12.399 -1.922 1.00 0.00 O ATOM 328 OE2 GLU A 20 -8.990 11.723 -0.668 1.00 0.00 O ATOM 0 H GLU A 20 -5.827 7.405 -2.870 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.638 9.071 -0.734 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.061 10.226 -2.420 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.390 9.155 -2.023 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.474 10.045 0.267 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.072 11.050 -0.043 1.00 0.00 H new ATOM 335 N VAL A 21 -5.596 7.777 1.127 1.00 0.00 N ATOM 336 CA VAL A 21 -6.117 7.007 2.251 1.00 0.00 C ATOM 337 C VAL A 21 -6.204 7.861 3.510 1.00 0.00 C ATOM 338 O VAL A 21 -5.685 8.978 3.552 1.00 0.00 O ATOM 339 CB VAL A 21 -5.246 5.770 2.541 1.00 0.00 C ATOM 340 CG1 VAL A 21 -5.262 4.816 1.356 1.00 0.00 C ATOM 341 CG2 VAL A 21 -3.819 6.188 2.867 1.00 0.00 C ATOM 0 H VAL A 21 -4.797 8.369 1.356 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.117 6.677 1.969 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.661 5.253 3.406 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.641 3.948 1.579 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.285 4.491 1.164 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.872 5.324 0.474 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.217 5.302 3.069 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.396 6.728 2.020 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.821 6.834 3.745 1.00 0.00 H new ATOM 351 N ASP A 22 -6.865 7.332 4.534 1.00 0.00 N ATOM 352 CA ASP A 22 -6.996 8.034 5.805 1.00 0.00 C ATOM 353 C ASP A 22 -5.926 7.578 6.790 1.00 0.00 C ATOM 354 O ASP A 22 -5.492 6.426 6.763 1.00 0.00 O ATOM 355 CB ASP A 22 -8.389 7.815 6.400 1.00 0.00 C ATOM 356 CG ASP A 22 -8.764 8.794 7.504 1.00 0.00 C ATOM 357 OD1 ASP A 22 -8.163 8.737 8.550 1.00 0.00 O ATOM 358 OD2 ASP A 22 -9.531 9.688 7.241 1.00 0.00 O ATOM 0 H ASP A 22 -7.319 6.419 4.508 1.00 0.00 H new ATOM 0 HA ASP A 22 -6.860 9.099 5.617 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.127 7.887 5.601 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.446 6.801 6.796 1.00 0.00 H new ATOM 363 N ARG A 23 -5.502 8.490 7.659 1.00 0.00 N ATOM 364 CA ARG A 23 -4.443 8.198 8.619 1.00 0.00 C ATOM 365 C ARG A 23 -4.893 7.135 9.617 1.00 0.00 C ATOM 366 O ARG A 23 -4.091 6.323 10.078 1.00 0.00 O ATOM 367 CB ARG A 23 -3.942 9.451 9.322 1.00 0.00 C ATOM 368 CG ARG A 23 -2.796 9.223 10.296 1.00 0.00 C ATOM 369 CD ARG A 23 -2.220 10.467 10.867 1.00 0.00 C ATOM 370 NE ARG A 23 -1.173 10.250 11.852 1.00 0.00 N ATOM 371 CZ ARG A 23 -0.573 11.228 12.558 1.00 0.00 C ATOM 372 NH1 ARG A 23 -0.883 12.491 12.367 1.00 0.00 N ATOM 373 NH2 ARG A 23 0.356 10.886 13.433 1.00 0.00 N ATOM 0 H ARG A 23 -5.875 9.437 7.718 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.598 7.798 8.059 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.621 10.170 8.568 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.773 9.905 9.861 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.149 8.592 11.112 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.006 8.672 9.786 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.817 11.072 10.055 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -3.021 11.045 11.328 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.872 9.290 12.020 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.588 12.744 11.675 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.418 13.218 12.911 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.601 9.904 13.559 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.828 11.604 13.982 1.00 0.00 H new ATOM 387 N THR A 24 -6.181 7.147 9.947 1.00 0.00 N ATOM 388 CA THR A 24 -6.713 6.268 10.981 1.00 0.00 C ATOM 389 C THR A 24 -7.044 4.893 10.415 1.00 0.00 C ATOM 390 O THR A 24 -7.419 3.982 11.153 1.00 0.00 O ATOM 391 CB THR A 24 -7.975 6.862 11.634 1.00 0.00 C ATOM 392 OG1 THR A 24 -9.009 6.992 10.651 1.00 0.00 O ATOM 393 CG2 THR A 24 -7.673 8.228 12.232 1.00 0.00 C ATOM 0 H THR A 24 -6.875 7.756 9.513 1.00 0.00 H new ATOM 0 HA THR A 24 -5.937 6.169 11.740 1.00 0.00 H new ATOM 0 HB THR A 24 -8.304 6.193 12.430 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.748 7.665 9.988 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.576 8.633 12.689 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.896 8.130 12.990 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.331 8.902 11.446 1.00 0.00 H new ATOM 401 N GLU A 25 -6.904 4.748 9.101 1.00 0.00 N ATOM 402 CA GLU A 25 -7.166 3.474 8.442 1.00 0.00 C ATOM 403 C GLU A 25 -5.945 2.564 8.510 1.00 0.00 C ATOM 404 O GLU A 25 -4.818 3.028 8.694 1.00 0.00 O ATOM 405 CB GLU A 25 -7.578 3.700 6.984 1.00 0.00 C ATOM 406 CG GLU A 25 -8.967 4.294 6.807 1.00 0.00 C ATOM 407 CD GLU A 25 -9.198 4.730 5.387 1.00 0.00 C ATOM 408 OE1 GLU A 25 -8.247 4.808 4.647 1.00 0.00 O ATOM 409 OE2 GLU A 25 -10.337 4.876 5.009 1.00 0.00 O ATOM 0 H GLU A 25 -6.611 5.496 8.473 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.987 2.985 8.967 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.851 4.361 6.512 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.533 2.748 6.455 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.719 3.557 7.090 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.088 5.146 7.476 1.00 0.00 H new ATOM 416 N THR A 26 -6.174 1.263 8.363 1.00 0.00 N ATOM 417 CA THR A 26 -5.085 0.297 8.295 1.00 0.00 C ATOM 418 C THR A 26 -4.558 0.160 6.872 1.00 0.00 C ATOM 419 O THR A 26 -5.077 0.782 5.944 1.00 0.00 O ATOM 420 CB THR A 26 -5.524 -1.088 8.805 1.00 0.00 C ATOM 421 OG1 THR A 26 -6.435 -1.678 7.868 1.00 0.00 O ATOM 422 CG2 THR A 26 -6.204 -0.967 10.160 1.00 0.00 C ATOM 0 H THR A 26 -7.105 0.854 8.289 1.00 0.00 H new ATOM 0 HA THR A 26 -4.291 0.675 8.939 1.00 0.00 H new ATOM 0 HB THR A 26 -4.640 -1.717 8.909 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.951 -2.382 8.313 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.507 -1.956 10.504 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.510 -0.530 10.878 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.083 -0.329 10.070 1.00 0.00 H new ATOM 430 N VAL A 27 -3.524 -0.659 6.703 1.00 0.00 N ATOM 431 CA VAL A 27 -2.976 -0.936 5.382 1.00 0.00 C ATOM 432 C VAL A 27 -4.006 -1.629 4.495 1.00 0.00 C ATOM 433 O VAL A 27 -3.871 -1.652 3.272 1.00 0.00 O ATOM 434 CB VAL A 27 -1.712 -1.813 5.467 1.00 0.00 C ATOM 435 CG1 VAL A 27 -0.634 -1.116 6.285 1.00 0.00 C ATOM 436 CG2 VAL A 27 -2.044 -3.169 6.073 1.00 0.00 C ATOM 0 H VAL A 27 -3.049 -1.142 7.466 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.710 0.025 4.943 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.333 -1.969 4.457 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.252 -1.750 6.335 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.376 -0.168 5.814 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.005 -0.931 7.293 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.140 -3.775 6.125 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.447 -3.030 7.076 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.784 -3.674 5.452 1.00 0.00 H new ATOM 446 N SER A 28 -5.034 -2.192 5.122 1.00 0.00 N ATOM 447 CA SER A 28 -6.119 -2.833 4.385 1.00 0.00 C ATOM 448 C SER A 28 -6.734 -1.867 3.377 1.00 0.00 C ATOM 449 O SER A 28 -6.992 -2.233 2.229 1.00 0.00 O ATOM 450 CB SER A 28 -7.176 -3.340 5.347 1.00 0.00 C ATOM 451 OG SER A 28 -6.658 -4.274 6.254 1.00 0.00 O ATOM 0 H SER A 28 -5.139 -2.218 6.136 1.00 0.00 H new ATOM 0 HA SER A 28 -5.709 -3.680 3.836 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.600 -2.499 5.896 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.990 -3.796 4.783 1.00 0.00 H new ATOM 0 HG SER A 28 -6.272 -3.804 7.023 1.00 0.00 H new ATOM 457 N SER A 29 -6.966 -0.634 3.812 1.00 0.00 N ATOM 458 CA SER A 29 -7.541 0.387 2.945 1.00 0.00 C ATOM 459 C SER A 29 -6.536 0.831 1.887 1.00 0.00 C ATOM 460 O SER A 29 -6.907 1.162 0.759 1.00 0.00 O ATOM 461 CB SER A 29 -8.005 1.574 3.768 1.00 0.00 C ATOM 462 OG SER A 29 -6.929 2.328 4.255 1.00 0.00 O ATOM 0 H SER A 29 -6.765 -0.317 4.760 1.00 0.00 H new ATOM 0 HA SER A 29 -8.402 -0.043 2.434 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.646 2.210 3.158 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.609 1.222 4.604 1.00 0.00 H new ATOM 0 HG SER A 29 -7.212 3.257 4.384 1.00 0.00 H new ATOM 468 N LEU A 30 -5.259 0.837 2.258 1.00 0.00 N ATOM 469 CA LEU A 30 -4.189 1.117 1.308 1.00 0.00 C ATOM 470 C LEU A 30 -4.113 0.034 0.237 1.00 0.00 C ATOM 471 O LEU A 30 -3.901 0.325 -0.940 1.00 0.00 O ATOM 472 CB LEU A 30 -2.847 1.240 2.041 1.00 0.00 C ATOM 473 CG LEU A 30 -1.642 1.563 1.148 1.00 0.00 C ATOM 474 CD1 LEU A 30 -1.864 2.889 0.432 1.00 0.00 C ATOM 475 CD2 LEU A 30 -0.379 1.613 1.996 1.00 0.00 C ATOM 0 H LEU A 30 -4.941 0.651 3.209 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.409 2.064 0.816 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.936 2.018 2.800 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.650 0.305 2.565 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.528 0.783 0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.004 3.110 -0.200 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.760 2.824 -0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.988 3.684 1.168 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.477 1.842 1.361 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.483 2.385 2.758 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.225 0.647 2.477 1.00 0.00 H new ATOM 487 N LYS A 31 -4.292 -1.214 0.652 1.00 0.00 N ATOM 488 CA LYS A 31 -4.314 -2.335 -0.281 1.00 0.00 C ATOM 489 C LYS A 31 -5.549 -2.276 -1.173 1.00 0.00 C ATOM 490 O LYS A 31 -5.485 -2.599 -2.360 1.00 0.00 O ATOM 491 CB LYS A 31 -4.271 -3.664 0.475 1.00 0.00 C ATOM 492 CG LYS A 31 -2.951 -3.944 1.182 1.00 0.00 C ATOM 493 CD LYS A 31 -2.986 -5.280 1.908 1.00 0.00 C ATOM 494 CE LYS A 31 -1.688 -5.535 2.659 1.00 0.00 C ATOM 495 NZ LYS A 31 -1.674 -6.876 3.306 1.00 0.00 N ATOM 0 H LYS A 31 -4.424 -1.476 1.629 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.429 -2.264 -0.914 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.073 -3.674 1.213 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.472 -4.474 -0.226 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.139 -3.944 0.455 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.741 -3.146 1.894 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.822 -5.295 2.607 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.157 -6.082 1.190 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.848 -5.456 1.969 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.550 -4.765 3.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.747 -7.038 3.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.418 -6.919 4.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.847 -7.609 2.589 1.00 0.00 H new ATOM 509 N ASP A 32 -6.671 -1.858 -0.597 1.00 0.00 N ATOM 510 CA ASP A 32 -7.906 -1.698 -1.356 1.00 0.00 C ATOM 511 C ASP A 32 -7.707 -0.735 -2.522 1.00 0.00 C ATOM 512 O ASP A 32 -8.114 -1.014 -3.650 1.00 0.00 O ATOM 513 CB ASP A 32 -9.034 -1.202 -0.448 1.00 0.00 C ATOM 514 CG ASP A 32 -9.570 -2.250 0.520 1.00 0.00 C ATOM 515 OD1 ASP A 32 -9.254 -3.404 0.349 1.00 0.00 O ATOM 516 OD2 ASP A 32 -10.158 -1.874 1.505 1.00 0.00 O ATOM 0 H ASP A 32 -6.751 -1.624 0.393 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.183 -2.672 -1.758 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.674 -0.347 0.124 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.855 -0.846 -1.070 1.00 0.00 H new ATOM 521 N LYS A 33 -7.077 0.401 -2.242 1.00 0.00 N ATOM 522 CA LYS A 33 -6.865 1.428 -3.257 1.00 0.00 C ATOM 523 C LYS A 33 -5.948 0.917 -4.363 1.00 0.00 C ATOM 524 O LYS A 33 -6.185 1.172 -5.544 1.00 0.00 O ATOM 525 CB LYS A 33 -6.279 2.692 -2.626 1.00 0.00 C ATOM 526 CG LYS A 33 -7.245 3.450 -1.724 1.00 0.00 C ATOM 527 CD LYS A 33 -8.405 4.030 -2.518 1.00 0.00 C ATOM 528 CE LYS A 33 -9.366 4.795 -1.619 1.00 0.00 C ATOM 529 NZ LYS A 33 -10.529 5.331 -2.376 1.00 0.00 N ATOM 0 H LYS A 33 -6.704 0.634 -1.322 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.831 1.673 -3.698 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.397 2.419 -2.046 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.944 3.359 -3.421 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.628 2.780 -0.954 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.714 4.253 -1.213 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.022 4.695 -3.292 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.940 3.226 -3.024 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.722 4.138 -0.826 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.836 5.617 -1.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -11.159 5.845 -1.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -10.192 5.978 -3.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.050 4.545 -2.814 1.00 0.00 H new ATOM 543 N ILE A 34 -4.901 0.197 -3.973 1.00 0.00 N ATOM 544 CA ILE A 34 -4.031 -0.466 -4.935 1.00 0.00 C ATOM 545 C ILE A 34 -4.799 -1.504 -5.747 1.00 0.00 C ATOM 546 O ILE A 34 -4.592 -1.642 -6.954 1.00 0.00 O ATOM 547 CB ILE A 34 -2.838 -1.149 -4.242 1.00 0.00 C ATOM 548 CG1 ILE A 34 -1.916 -0.102 -3.612 1.00 0.00 C ATOM 549 CG2 ILE A 34 -2.071 -2.013 -5.230 1.00 0.00 C ATOM 550 CD1 ILE A 34 -0.902 -0.680 -2.651 1.00 0.00 C ATOM 0 H ILE A 34 -4.635 0.058 -2.998 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.654 0.308 -5.604 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.220 -1.793 -3.450 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.389 0.429 -4.405 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.524 0.634 -3.085 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.231 -2.488 -4.723 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.733 -2.780 -5.633 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.698 -1.391 -6.044 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.286 0.123 -2.246 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.420 -1.186 -1.836 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.268 -1.394 -3.177 1.00 0.00 H new ATOM 562 N HIS A 35 -5.688 -2.231 -5.078 1.00 0.00 N ATOM 563 CA HIS A 35 -6.498 -3.247 -5.741 1.00 0.00 C ATOM 564 C HIS A 35 -7.462 -2.610 -6.736 1.00 0.00 C ATOM 565 O HIS A 35 -7.737 -3.173 -7.797 1.00 0.00 O ATOM 566 CB HIS A 35 -7.275 -4.077 -4.713 1.00 0.00 C ATOM 567 CG HIS A 35 -8.154 -5.123 -5.325 1.00 0.00 C ATOM 568 ND1 HIS A 35 -7.650 -6.210 -6.008 1.00 0.00 N ATOM 569 CD2 HIS A 35 -9.501 -5.247 -5.360 1.00 0.00 C ATOM 570 CE1 HIS A 35 -8.652 -6.959 -6.435 1.00 0.00 C ATOM 571 NE2 HIS A 35 -9.785 -6.397 -6.054 1.00 0.00 N ATOM 0 H HIS A 35 -5.866 -2.136 -4.078 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.824 -3.908 -6.286 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.567 -4.559 -4.039 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.888 -3.409 -4.108 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -6.660 -6.405 -6.160 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -10.219 -4.568 -4.924 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -8.560 -7.875 -7.000 1.00 0.00 H new ATOM 578 N ILE A 36 -7.974 -1.433 -6.388 1.00 0.00 N ATOM 579 CA ILE A 36 -8.880 -0.704 -7.267 1.00 0.00 C ATOM 580 C ILE A 36 -8.178 -0.286 -8.555 1.00 0.00 C ATOM 581 O ILE A 36 -8.740 -0.397 -9.644 1.00 0.00 O ATOM 582 CB ILE A 36 -9.454 0.545 -6.574 1.00 0.00 C ATOM 583 CG1 ILE A 36 -10.416 0.141 -5.455 1.00 0.00 C ATOM 584 CG2 ILE A 36 -10.155 1.438 -7.586 1.00 0.00 C ATOM 585 CD1 ILE A 36 -10.796 1.278 -4.535 1.00 0.00 C ATOM 0 H ILE A 36 -7.776 -0.965 -5.504 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.700 -1.381 -7.508 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.630 1.106 -6.133 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.322 -0.272 -5.899 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.959 -0.654 -4.865 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.555 2.317 -7.080 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.443 1.752 -8.349 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.970 0.887 -8.055 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -11.480 0.913 -3.769 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.900 1.678 -4.061 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -11.283 2.065 -5.111 1.00 0.00 H new ATOM 597 N VAL A 37 -6.946 0.193 -8.422 1.00 0.00 N ATOM 598 CA VAL A 37 -6.170 0.640 -9.573 1.00 0.00 C ATOM 599 C VAL A 37 -5.648 -0.545 -10.377 1.00 0.00 C ATOM 600 O VAL A 37 -5.641 -0.518 -11.607 1.00 0.00 O ATOM 601 CB VAL A 37 -4.981 1.518 -9.144 1.00 0.00 C ATOM 602 CG1 VAL A 37 -4.102 1.850 -10.339 1.00 0.00 C ATOM 603 CG2 VAL A 37 -5.474 2.788 -8.466 1.00 0.00 C ATOM 0 H VAL A 37 -6.463 0.282 -7.528 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.841 1.231 -10.196 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.380 0.959 -8.426 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.267 2.471 -10.015 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.720 0.928 -10.777 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.688 2.389 -11.083 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.620 3.397 -8.169 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.098 3.352 -9.159 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.057 2.526 -7.583 1.00 0.00 H new ATOM 613 N GLU A 38 -5.211 -1.584 -9.674 1.00 0.00 N ATOM 614 CA GLU A 38 -4.565 -2.724 -10.314 1.00 0.00 C ATOM 615 C GLU A 38 -5.581 -3.815 -10.639 1.00 0.00 C ATOM 616 O GLU A 38 -6.771 -3.671 -10.363 1.00 0.00 O ATOM 617 CB GLU A 38 -3.455 -3.283 -9.421 1.00 0.00 C ATOM 618 CG GLU A 38 -2.316 -2.310 -9.149 1.00 0.00 C ATOM 619 CD GLU A 38 -1.612 -1.925 -10.419 1.00 0.00 C ATOM 620 OE1 GLU A 38 -1.148 -2.801 -11.108 1.00 0.00 O ATOM 621 OE2 GLU A 38 -1.634 -0.765 -10.759 1.00 0.00 O ATOM 0 H GLU A 38 -5.292 -1.660 -8.660 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.122 -2.379 -11.248 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.890 -3.589 -8.470 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.047 -4.180 -9.888 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.707 -1.416 -8.662 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.604 -2.764 -8.459 1.00 0.00 H new ATOM 628 N ASN A 39 -5.101 -4.906 -11.227 1.00 0.00 N ATOM 629 CA ASN A 39 -5.965 -6.027 -11.579 1.00 0.00 C ATOM 630 C ASN A 39 -5.592 -7.272 -10.782 1.00 0.00 C ATOM 631 O ASN A 39 -5.949 -8.392 -11.153 1.00 0.00 O ATOM 632 CB ASN A 39 -5.919 -6.319 -13.068 1.00 0.00 C ATOM 633 CG ASN A 39 -6.374 -5.170 -13.924 1.00 0.00 C ATOM 634 OD1 ASN A 39 -5.562 -4.416 -14.471 1.00 0.00 O ATOM 635 ND2 ASN A 39 -7.669 -4.984 -13.977 1.00 0.00 N ATOM 0 H ASN A 39 -4.119 -5.038 -11.470 1.00 0.00 H new ATOM 0 HA ASN A 39 -6.986 -5.744 -11.324 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.899 -6.586 -13.346 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.544 -7.187 -13.278 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.049 -4.187 -14.487 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.298 -5.636 -13.508 1.00 0.00 H new ATOM 642 N THR A 40 -4.871 -7.073 -9.683 1.00 0.00 N ATOM 643 CA THR A 40 -4.354 -8.183 -8.895 1.00 0.00 C ATOM 644 C THR A 40 -5.036 -8.255 -7.533 1.00 0.00 C ATOM 645 O THR A 40 -5.127 -7.268 -6.806 1.00 0.00 O ATOM 646 CB THR A 40 -2.831 -8.071 -8.691 1.00 0.00 C ATOM 647 OG1 THR A 40 -2.172 -8.120 -9.962 1.00 0.00 O ATOM 648 CG2 THR A 40 -2.325 -9.209 -7.817 1.00 0.00 C ATOM 0 H THR A 40 -4.632 -6.151 -9.319 1.00 0.00 H new ATOM 0 HA THR A 40 -4.569 -9.093 -9.455 1.00 0.00 H new ATOM 0 HB THR A 40 -2.614 -7.124 -8.198 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.203 -8.047 -9.831 1.00 0.00 H new ATOM 0 HG21 THR A 40 -1.247 -9.114 -7.684 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.816 -9.167 -6.845 1.00 0.00 H new ATOM 0 HG23 THR A 40 -2.549 -10.162 -8.296 1.00 0.00 H new ATOM 656 N PRO A 41 -5.524 -9.453 -7.178 1.00 0.00 N ATOM 657 CA PRO A 41 -6.171 -9.693 -5.885 1.00 0.00 C ATOM 658 C PRO A 41 -5.299 -9.260 -4.711 1.00 0.00 C ATOM 659 O PRO A 41 -4.076 -9.395 -4.753 1.00 0.00 O ATOM 660 CB PRO A 41 -6.429 -11.203 -5.875 1.00 0.00 C ATOM 661 CG PRO A 41 -6.529 -11.572 -7.316 1.00 0.00 C ATOM 662 CD PRO A 41 -5.537 -10.688 -8.024 1.00 0.00 C ATOM 0 HA PRO A 41 -7.085 -9.111 -5.770 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -5.619 -11.741 -5.382 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.346 -11.446 -5.338 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -6.296 -12.626 -7.469 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -7.539 -11.411 -7.694 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.551 -11.150 -8.079 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.846 -10.473 -9.047 1.00 0.00 H new ATOM 670 N ILE A 42 -5.935 -8.740 -3.668 1.00 0.00 N ATOM 671 CA ILE A 42 -5.215 -8.274 -2.489 1.00 0.00 C ATOM 672 C ILE A 42 -4.444 -9.413 -1.830 1.00 0.00 C ATOM 673 O ILE A 42 -3.337 -9.220 -1.328 1.00 0.00 O ATOM 674 CB ILE A 42 -6.169 -7.645 -1.456 1.00 0.00 C ATOM 675 CG1 ILE A 42 -6.749 -6.334 -1.994 1.00 0.00 C ATOM 676 CG2 ILE A 42 -5.447 -7.410 -0.139 1.00 0.00 C ATOM 677 CD1 ILE A 42 -7.887 -5.785 -1.165 1.00 0.00 C ATOM 0 H ILE A 42 -6.948 -8.630 -3.615 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.512 -7.513 -2.829 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.991 -8.338 -1.277 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.955 -5.589 -2.042 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.099 -6.494 -3.014 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -6.136 -6.965 0.579 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.081 -8.360 0.250 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.606 -6.736 -0.300 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.245 -4.856 -1.609 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.700 -6.511 -1.137 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.538 -5.592 -0.151 1.00 0.00 H new ATOM 689 N LYS A 43 -5.037 -10.601 -1.835 1.00 0.00 N ATOM 690 CA LYS A 43 -4.418 -11.769 -1.218 1.00 0.00 C ATOM 691 C LYS A 43 -3.147 -12.168 -1.961 1.00 0.00 C ATOM 692 O LYS A 43 -2.286 -12.856 -1.412 1.00 0.00 O ATOM 693 CB LYS A 43 -5.399 -12.942 -1.182 1.00 0.00 C ATOM 694 CG LYS A 43 -6.576 -12.748 -0.235 1.00 0.00 C ATOM 695 CD LYS A 43 -7.517 -13.944 -0.270 1.00 0.00 C ATOM 696 CE LYS A 43 -8.676 -13.764 0.699 1.00 0.00 C ATOM 697 NZ LYS A 43 -9.617 -14.917 0.659 1.00 0.00 N ATOM 0 H LYS A 43 -5.947 -10.781 -2.260 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.150 -11.506 -0.195 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.782 -13.111 -2.188 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.859 -13.843 -0.891 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.208 -12.602 0.781 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.122 -11.845 -0.510 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.903 -14.077 -1.281 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.966 -14.850 -0.017 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.288 -13.647 1.711 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.214 -12.848 0.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.392 -14.756 1.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.007 -15.014 -0.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.110 -15.788 0.916 1.00 0.00 H new ATOM 711 N ARG A 44 -3.036 -11.729 -3.211 1.00 0.00 N ATOM 712 CA ARG A 44 -1.881 -12.063 -4.037 1.00 0.00 C ATOM 713 C ARG A 44 -0.890 -10.904 -4.078 1.00 0.00 C ATOM 714 O ARG A 44 0.323 -11.113 -4.096 1.00 0.00 O ATOM 715 CB ARG A 44 -2.284 -12.507 -5.436 1.00 0.00 C ATOM 716 CG ARG A 44 -3.182 -13.733 -5.483 1.00 0.00 C ATOM 717 CD ARG A 44 -2.533 -14.986 -5.024 1.00 0.00 C ATOM 718 NE ARG A 44 -3.405 -16.150 -5.020 1.00 0.00 N ATOM 719 CZ ARG A 44 -3.039 -17.379 -4.604 1.00 0.00 C ATOM 720 NH1 ARG A 44 -1.814 -17.618 -4.195 1.00 0.00 N ATOM 721 NH2 ARG A 44 -3.941 -18.344 -4.642 1.00 0.00 N ATOM 0 H ARG A 44 -3.730 -11.142 -3.673 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.384 -12.915 -3.573 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.795 -11.681 -5.931 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.381 -12.713 -6.010 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.062 -13.547 -4.867 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.532 -13.873 -6.506 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.676 -15.192 -5.665 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.148 -14.833 -4.016 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.360 -16.028 -5.355 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.123 -16.868 -4.189 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.554 -18.554 -3.883 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.883 -18.148 -4.979 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.695 -19.285 -4.334 1.00 0.00 H new ATOM 735 N MET A 45 -1.415 -9.684 -4.094 1.00 0.00 N ATOM 736 CA MET A 45 -0.576 -8.493 -4.157 1.00 0.00 C ATOM 737 C MET A 45 0.258 -8.347 -2.887 1.00 0.00 C ATOM 738 O MET A 45 -0.261 -8.465 -1.778 1.00 0.00 O ATOM 739 CB MET A 45 -1.435 -7.248 -4.373 1.00 0.00 C ATOM 740 CG MET A 45 -0.649 -5.950 -4.481 1.00 0.00 C ATOM 741 SD MET A 45 -0.321 -5.200 -2.873 1.00 0.00 S ATOM 742 CE MET A 45 -1.938 -4.548 -2.467 1.00 0.00 C ATOM 0 H MET A 45 -2.417 -9.494 -4.064 1.00 0.00 H new ATOM 0 HA MET A 45 0.104 -8.601 -5.002 1.00 0.00 H new ATOM 0 HB2 MET A 45 -2.021 -7.380 -5.283 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.142 -7.162 -3.548 1.00 0.00 H new ATOM 0 HG2 MET A 45 0.297 -6.144 -4.987 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.203 -5.245 -5.100 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.831 -3.553 -2.034 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.543 -4.487 -3.371 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.426 -5.206 -1.748 1.00 0.00 H new ATOM 752 N GLN A 46 1.550 -8.089 -3.060 1.00 0.00 N ATOM 753 CA GLN A 46 2.452 -7.918 -1.927 1.00 0.00 C ATOM 754 C GLN A 46 2.804 -6.447 -1.730 1.00 0.00 C ATOM 755 O GLN A 46 3.037 -5.719 -2.695 1.00 0.00 O ATOM 756 CB GLN A 46 3.732 -8.734 -2.130 1.00 0.00 C ATOM 757 CG GLN A 46 3.490 -10.199 -2.449 1.00 0.00 C ATOM 758 CD GLN A 46 2.817 -10.937 -1.308 1.00 0.00 C ATOM 759 OE1 GLN A 46 3.314 -10.950 -0.179 1.00 0.00 O ATOM 760 NE2 GLN A 46 1.680 -11.560 -1.597 1.00 0.00 N ATOM 0 H GLN A 46 1.995 -7.994 -3.973 1.00 0.00 H new ATOM 0 HA GLN A 46 1.940 -8.277 -1.035 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.310 -8.288 -2.939 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.341 -8.665 -1.228 1.00 0.00 H new ATOM 0 HG2 GLN A 46 2.871 -10.276 -3.343 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.441 -10.680 -2.678 1.00 0.00 H new ATOM 0 HE21 GLN A 46 1.305 -11.523 -2.545 1.00 0.00 H new ATOM 0 HE22 GLN A 46 1.182 -12.075 -0.871 1.00 0.00 H new ATOM 769 N LEU A 47 2.841 -6.016 -0.473 1.00 0.00 N ATOM 770 CA LEU A 47 2.905 -4.595 -0.154 1.00 0.00 C ATOM 771 C LEU A 47 4.076 -4.300 0.780 1.00 0.00 C ATOM 772 O LEU A 47 4.072 -4.702 1.943 1.00 0.00 O ATOM 773 CB LEU A 47 1.588 -4.131 0.478 1.00 0.00 C ATOM 774 CG LEU A 47 1.568 -2.671 0.950 1.00 0.00 C ATOM 775 CD1 LEU A 47 1.806 -1.738 -0.229 1.00 0.00 C ATOM 776 CD2 LEU A 47 0.233 -2.369 1.616 1.00 0.00 C ATOM 0 H LEU A 47 2.828 -6.631 0.341 1.00 0.00 H new ATOM 0 HA LEU A 47 3.062 -4.044 -1.081 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.786 -4.273 -0.247 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.366 -4.774 1.329 1.00 0.00 H new ATOM 0 HG LEU A 47 2.365 -2.513 1.676 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.790 -0.704 0.116 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.776 -1.956 -0.676 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.023 -1.884 -0.973 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.220 -1.332 1.951 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.575 -2.530 0.902 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.096 -3.029 2.473 1.00 0.00 H new ATOM 788 N TYR A 48 5.076 -3.595 0.262 1.00 0.00 N ATOM 789 CA TYR A 48 6.237 -3.215 1.059 1.00 0.00 C ATOM 790 C TYR A 48 6.292 -1.704 1.256 1.00 0.00 C ATOM 791 O TYR A 48 6.021 -0.936 0.332 1.00 0.00 O ATOM 792 CB TYR A 48 7.526 -3.708 0.396 1.00 0.00 C ATOM 793 CG TYR A 48 8.787 -3.190 1.050 1.00 0.00 C ATOM 794 CD1 TYR A 48 9.281 -3.772 2.208 1.00 0.00 C ATOM 795 CD2 TYR A 48 9.484 -2.122 0.504 1.00 0.00 C ATOM 796 CE1 TYR A 48 10.432 -3.302 2.810 1.00 0.00 C ATOM 797 CE2 TYR A 48 10.637 -1.645 1.097 1.00 0.00 C ATOM 798 CZ TYR A 48 11.108 -2.238 2.250 1.00 0.00 C ATOM 799 OH TYR A 48 12.257 -1.767 2.843 1.00 0.00 O ATOM 0 H TYR A 48 5.106 -3.275 -0.706 1.00 0.00 H new ATOM 0 HA TYR A 48 6.143 -3.685 2.038 1.00 0.00 H new ATOM 0 HB2 TYR A 48 7.539 -4.798 0.415 1.00 0.00 H new ATOM 0 HB3 TYR A 48 7.522 -3.408 -0.652 1.00 0.00 H new ATOM 0 HD1 TYR A 48 8.756 -4.608 2.647 1.00 0.00 H new ATOM 0 HD2 TYR A 48 9.119 -1.656 -0.399 1.00 0.00 H new ATOM 0 HE1 TYR A 48 10.800 -3.765 3.714 1.00 0.00 H new ATOM 0 HE2 TYR A 48 11.167 -0.812 0.660 1.00 0.00 H new ATOM 0 HH TYR A 48 12.737 -1.189 2.213 1.00 0.00 H new ATOM 809 N TYR A 49 6.644 -1.283 2.465 1.00 0.00 N ATOM 810 CA TYR A 49 6.829 0.132 2.760 1.00 0.00 C ATOM 811 C TYR A 49 8.276 0.423 3.149 1.00 0.00 C ATOM 812 O TYR A 49 8.877 -0.308 3.935 1.00 0.00 O ATOM 813 CB TYR A 49 5.883 0.576 3.879 1.00 0.00 C ATOM 814 CG TYR A 49 6.262 1.894 4.515 1.00 0.00 C ATOM 815 CD1 TYR A 49 6.231 3.073 3.784 1.00 0.00 C ATOM 816 CD2 TYR A 49 6.648 1.957 5.846 1.00 0.00 C ATOM 817 CE1 TYR A 49 6.576 4.281 4.361 1.00 0.00 C ATOM 818 CE2 TYR A 49 6.995 3.158 6.433 1.00 0.00 C ATOM 819 CZ TYR A 49 6.957 4.318 5.688 1.00 0.00 C ATOM 820 OH TYR A 49 7.301 5.518 6.267 1.00 0.00 O ATOM 0 H TYR A 49 6.807 -1.903 3.258 1.00 0.00 H new ATOM 0 HA TYR A 49 6.595 0.697 1.858 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.873 0.655 3.477 1.00 0.00 H new ATOM 0 HB3 TYR A 49 5.860 -0.195 4.649 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.932 3.047 2.746 1.00 0.00 H new ATOM 0 HD2 TYR A 49 6.678 1.051 6.433 1.00 0.00 H new ATOM 0 HE1 TYR A 49 6.548 5.190 3.778 1.00 0.00 H new ATOM 0 HE2 TYR A 49 7.295 3.189 7.470 1.00 0.00 H new ATOM 0 HH TYR A 49 6.611 5.780 6.912 1.00 0.00 H new ATOM 830 N SER A 50 8.827 1.496 2.591 1.00 0.00 N ATOM 831 CA SER A 50 10.166 1.946 2.958 1.00 0.00 C ATOM 832 C SER A 50 10.518 1.504 4.375 1.00 0.00 C ATOM 833 O SER A 50 10.059 2.094 5.353 1.00 0.00 O ATOM 834 CB SER A 50 10.265 3.454 2.831 1.00 0.00 C ATOM 835 OG SER A 50 11.538 3.928 3.176 1.00 0.00 O ATOM 0 H SER A 50 8.368 2.070 1.884 1.00 0.00 H new ATOM 0 HA SER A 50 10.882 1.490 2.274 1.00 0.00 H new ATOM 0 HB2 SER A 50 10.034 3.747 1.807 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.518 3.922 3.472 1.00 0.00 H new ATOM 0 HG SER A 50 11.561 4.903 3.080 1.00 0.00 H new ATOM 841 N GLY A 51 11.336 0.462 4.478 1.00 0.00 N ATOM 842 CA GLY A 51 11.713 -0.060 5.779 1.00 0.00 C ATOM 843 C GLY A 51 10.898 -1.275 6.175 1.00 0.00 C ATOM 844 O GLY A 51 11.359 -2.409 6.046 1.00 0.00 O ATOM 0 H GLY A 51 11.745 -0.031 3.684 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.771 -0.324 5.769 1.00 0.00 H new ATOM 0 HA3 GLY A 51 11.586 0.719 6.530 1.00 0.00 H new ATOM 848 N ILE A 52 9.683 -1.037 6.661 1.00 0.00 N ATOM 849 CA ILE A 52 8.842 -2.112 7.174 1.00 0.00 C ATOM 850 C ILE A 52 7.846 -2.581 6.119 1.00 0.00 C ATOM 851 O ILE A 52 7.168 -1.771 5.487 1.00 0.00 O ATOM 852 CB ILE A 52 8.075 -1.676 8.435 1.00 0.00 C ATOM 853 CG1 ILE A 52 9.054 -1.285 9.547 1.00 0.00 C ATOM 854 CG2 ILE A 52 7.147 -2.785 8.904 1.00 0.00 C ATOM 855 CD1 ILE A 52 8.396 -0.619 10.733 1.00 0.00 C ATOM 0 H ILE A 52 9.260 -0.110 6.710 1.00 0.00 H new ATOM 0 HA ILE A 52 9.506 -2.936 7.433 1.00 0.00 H new ATOM 0 HB ILE A 52 7.469 -0.804 8.188 1.00 0.00 H new ATOM 0 HG12 ILE A 52 9.577 -2.178 9.888 1.00 0.00 H new ATOM 0 HG13 ILE A 52 9.806 -0.612 9.136 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.613 -2.459 9.797 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.430 -3.017 8.116 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.732 -3.675 9.136 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.153 -0.372 11.478 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.896 0.293 10.407 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.664 -1.297 11.171 1.00 0.00 H new ATOM 867 N GLU A 53 7.762 -3.896 5.936 1.00 0.00 N ATOM 868 CA GLU A 53 6.769 -4.480 5.041 1.00 0.00 C ATOM 869 C GLU A 53 5.380 -4.445 5.672 1.00 0.00 C ATOM 870 O GLU A 53 5.220 -4.718 6.863 1.00 0.00 O ATOM 871 CB GLU A 53 7.150 -5.918 4.682 1.00 0.00 C ATOM 872 CG GLU A 53 6.217 -6.583 3.679 1.00 0.00 C ATOM 873 CD GLU A 53 6.678 -7.975 3.345 1.00 0.00 C ATOM 874 OE1 GLU A 53 7.665 -8.402 3.895 1.00 0.00 O ATOM 875 OE2 GLU A 53 5.983 -8.653 2.625 1.00 0.00 O ATOM 0 H GLU A 53 8.369 -4.576 6.395 1.00 0.00 H new ATOM 0 HA GLU A 53 6.747 -3.885 4.128 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.162 -5.923 4.277 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.169 -6.515 5.594 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.207 -6.620 4.087 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.171 -5.984 2.769 1.00 0.00 H new ATOM 882 N LEU A 54 4.380 -4.107 4.866 1.00 0.00 N ATOM 883 CA LEU A 54 3.043 -3.834 5.382 1.00 0.00 C ATOM 884 C LEU A 54 2.191 -5.099 5.385 1.00 0.00 C ATOM 885 O LEU A 54 1.206 -5.198 4.653 1.00 0.00 O ATOM 886 CB LEU A 54 2.367 -2.735 4.551 1.00 0.00 C ATOM 887 CG LEU A 54 3.125 -1.404 4.490 1.00 0.00 C ATOM 888 CD1 LEU A 54 2.340 -0.394 3.663 1.00 0.00 C ATOM 889 CD2 LEU A 54 3.355 -0.883 5.901 1.00 0.00 C ATOM 0 H LEU A 54 4.469 -4.015 3.854 1.00 0.00 H new ATOM 0 HA LEU A 54 3.138 -3.488 6.411 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.229 -3.103 3.534 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.374 -2.551 4.961 1.00 0.00 H new ATOM 0 HG LEU A 54 4.092 -1.559 4.012 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.886 0.548 3.625 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.207 -0.777 2.651 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.364 -0.230 4.120 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.894 0.063 5.856 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.395 -0.731 6.394 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.941 -1.608 6.466 1.00 0.00 H new ATOM 901 N ALA A 55 2.575 -6.063 6.214 1.00 0.00 N ATOM 902 CA ALA A 55 2.007 -7.403 6.143 1.00 0.00 C ATOM 903 C ALA A 55 0.756 -7.517 7.008 1.00 0.00 C ATOM 904 O ALA A 55 -0.113 -8.352 6.755 1.00 0.00 O ATOM 905 CB ALA A 55 3.039 -8.438 6.569 1.00 0.00 C ATOM 0 H ALA A 55 3.278 -5.941 6.943 1.00 0.00 H new ATOM 0 HA ALA A 55 1.721 -7.594 5.109 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.601 -9.434 6.511 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.904 -8.383 5.908 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.353 -8.239 7.594 1.00 0.00 H new ATOM 911 N ASP A 56 0.670 -6.671 8.029 1.00 0.00 N ATOM 912 CA ASP A 56 -0.369 -6.801 9.043 1.00 0.00 C ATOM 913 C ASP A 56 -1.597 -5.975 8.672 1.00 0.00 C ATOM 914 O ASP A 56 -1.545 -4.745 8.643 1.00 0.00 O ATOM 915 CB ASP A 56 0.161 -6.373 10.415 1.00 0.00 C ATOM 916 CG ASP A 56 -0.833 -6.546 11.555 1.00 0.00 C ATOM 917 OD1 ASP A 56 -1.963 -6.877 11.287 1.00 0.00 O ATOM 918 OD2 ASP A 56 -0.419 -6.500 12.689 1.00 0.00 O ATOM 0 H ASP A 56 1.307 -5.888 8.176 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.662 -7.850 9.093 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.058 -6.950 10.641 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.460 -5.326 10.365 1.00 0.00 H new ATOM 923 N ASP A 57 -2.698 -6.660 8.386 1.00 0.00 N ATOM 924 CA ASP A 57 -3.892 -6.003 7.862 1.00 0.00 C ATOM 925 C ASP A 57 -4.529 -5.110 8.923 1.00 0.00 C ATOM 926 O ASP A 57 -5.155 -4.100 8.602 1.00 0.00 O ATOM 927 CB ASP A 57 -4.903 -7.041 7.367 1.00 0.00 C ATOM 928 CG ASP A 57 -4.516 -7.722 6.061 1.00 0.00 C ATOM 929 OD1 ASP A 57 -3.612 -7.251 5.413 1.00 0.00 O ATOM 930 OD2 ASP A 57 -5.016 -8.791 5.802 1.00 0.00 O ATOM 0 H ASP A 57 -2.790 -7.669 8.507 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.593 -5.378 7.021 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.030 -7.803 8.136 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.870 -6.555 7.237 1.00 0.00 H new ATOM 935 N TYR A 58 -4.368 -5.492 10.184 1.00 0.00 N ATOM 936 CA TYR A 58 -5.089 -4.846 11.276 1.00 0.00 C ATOM 937 C TYR A 58 -4.235 -3.765 11.929 1.00 0.00 C ATOM 938 O TYR A 58 -4.715 -2.994 12.759 1.00 0.00 O ATOM 939 CB TYR A 58 -5.520 -5.879 12.320 1.00 0.00 C ATOM 940 CG TYR A 58 -6.500 -6.906 11.798 1.00 0.00 C ATOM 941 CD1 TYR A 58 -7.853 -6.614 11.705 1.00 0.00 C ATOM 942 CD2 TYR A 58 -6.072 -8.165 11.401 1.00 0.00 C ATOM 943 CE1 TYR A 58 -8.753 -7.548 11.229 1.00 0.00 C ATOM 944 CE2 TYR A 58 -6.962 -9.106 10.923 1.00 0.00 C ATOM 945 CZ TYR A 58 -8.304 -8.793 10.840 1.00 0.00 C ATOM 946 OH TYR A 58 -9.197 -9.727 10.367 1.00 0.00 O ATOM 0 H TYR A 58 -3.745 -6.245 10.477 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.979 -4.375 10.859 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -4.635 -6.393 12.695 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -5.969 -5.360 13.167 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.209 -5.641 12.010 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -5.023 -8.413 11.467 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.803 -7.305 11.162 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.611 -10.080 10.616 1.00 0.00 H new ATOM 0 HH TYR A 58 -8.718 -10.550 10.135 1.00 0.00 H new ATOM 956 N ARG A 59 -2.962 -3.714 11.547 1.00 0.00 N ATOM 957 CA ARG A 59 -2.067 -2.660 12.007 1.00 0.00 C ATOM 958 C ARG A 59 -2.281 -1.379 11.208 1.00 0.00 C ATOM 959 O ARG A 59 -2.353 -1.405 9.980 1.00 0.00 O ATOM 960 CB ARG A 59 -0.609 -3.094 11.990 1.00 0.00 C ATOM 961 CG ARG A 59 0.373 -2.057 12.511 1.00 0.00 C ATOM 962 CD ARG A 59 1.762 -2.557 12.677 1.00 0.00 C ATOM 963 NE ARG A 59 2.736 -1.531 13.011 1.00 0.00 N ATOM 964 CZ ARG A 59 4.045 -1.763 13.233 1.00 0.00 C ATOM 965 NH1 ARG A 59 4.534 -2.982 13.196 1.00 0.00 N ATOM 966 NH2 ARG A 59 4.822 -0.731 13.514 1.00 0.00 N ATOM 0 H ARG A 59 -2.528 -4.391 10.920 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.316 -2.454 13.048 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.508 -4.001 12.586 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -0.334 -3.352 10.967 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.384 -1.209 11.826 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.016 -1.686 13.472 1.00 0.00 H new ATOM 0 HD2 ARG A 59 1.770 -3.316 13.459 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.071 -3.047 11.754 1.00 0.00 H new ATOM 0 HE ARG A 59 2.406 -0.569 13.082 1.00 0.00 H new ATOM 0 HH11 ARG A 59 3.920 -3.772 12.997 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.527 -3.138 13.367 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.426 0.208 13.558 1.00 0.00 H new ATOM 0 HH22 ARG A 59 5.817 -0.874 13.687 1.00 0.00 H new ATOM 980 N ASN A 60 -2.383 -0.256 11.915 1.00 0.00 N ATOM 981 CA ASN A 60 -2.814 0.995 11.304 1.00 0.00 C ATOM 982 C ASN A 60 -1.692 1.611 10.475 1.00 0.00 C ATOM 983 O ASN A 60 -0.512 1.351 10.716 1.00 0.00 O ATOM 984 CB ASN A 60 -3.303 1.984 12.346 1.00 0.00 C ATOM 985 CG ASN A 60 -4.572 1.561 13.034 1.00 0.00 C ATOM 986 OD1 ASN A 60 -5.619 1.391 12.399 1.00 0.00 O ATOM 987 ND2 ASN A 60 -4.505 1.472 14.337 1.00 0.00 N ATOM 0 H ASN A 60 -2.173 -0.189 12.911 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.649 0.763 10.642 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.524 2.124 13.095 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.464 2.951 11.869 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.342 1.253 14.877 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.616 1.621 14.813 1.00 0.00 H new ATOM 994 N LEU A 61 -2.065 2.429 9.497 1.00 0.00 N ATOM 995 CA LEU A 61 -1.090 3.175 8.709 1.00 0.00 C ATOM 996 C LEU A 61 -0.224 4.056 9.603 1.00 0.00 C ATOM 997 O LEU A 61 0.984 4.167 9.399 1.00 0.00 O ATOM 998 CB LEU A 61 -1.802 4.023 7.647 1.00 0.00 C ATOM 999 CG LEU A 61 -2.488 3.229 6.528 1.00 0.00 C ATOM 1000 CD1 LEU A 61 -3.339 4.159 5.675 1.00 0.00 C ATOM 1001 CD2 LEU A 61 -1.434 2.532 5.681 1.00 0.00 C ATOM 0 H LEU A 61 -3.036 2.593 9.231 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.438 2.460 8.207 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.550 4.643 8.142 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.075 4.699 7.197 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.142 2.474 6.965 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.822 3.586 4.883 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.099 4.630 6.298 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.706 4.928 5.232 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.921 1.968 4.886 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.769 3.276 5.243 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.856 1.852 6.307 1.00 0.00 H new ATOM 1013 N ASN A 62 -0.852 4.679 10.596 1.00 0.00 N ATOM 1014 CA ASN A 62 -0.129 5.501 11.559 1.00 0.00 C ATOM 1015 C ASN A 62 0.879 4.663 12.341 1.00 0.00 C ATOM 1016 O ASN A 62 2.001 5.103 12.596 1.00 0.00 O ATOM 1017 CB ASN A 62 -1.077 6.208 12.510 1.00 0.00 C ATOM 1018 CG ASN A 62 -0.388 7.121 13.486 1.00 0.00 C ATOM 1019 OD1 ASN A 62 0.276 8.089 13.098 1.00 0.00 O ATOM 1020 ND2 ASN A 62 -0.474 6.771 14.744 1.00 0.00 N ATOM 0 H ASN A 62 -1.858 4.630 10.754 1.00 0.00 H new ATOM 0 HA ASN A 62 0.412 6.262 10.996 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.795 6.787 11.929 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.645 5.461 13.064 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.021 7.306 15.457 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.036 5.963 15.011 1.00 0.00 H new ATOM 1027 N GLU A 63 0.471 3.456 12.717 1.00 0.00 N ATOM 1028 CA GLU A 63 1.328 2.569 13.495 1.00 0.00 C ATOM 1029 C GLU A 63 2.544 2.135 12.682 1.00 0.00 C ATOM 1030 O GLU A 63 3.617 1.885 13.232 1.00 0.00 O ATOM 1031 CB GLU A 63 0.544 1.343 13.969 1.00 0.00 C ATOM 1032 CG GLU A 63 -0.493 1.637 15.043 1.00 0.00 C ATOM 1033 CD GLU A 63 -1.156 0.375 15.522 1.00 0.00 C ATOM 1034 OE1 GLU A 63 -1.674 -0.348 14.705 1.00 0.00 O ATOM 1035 OE2 GLU A 63 -1.048 0.076 16.688 1.00 0.00 O ATOM 0 H GLU A 63 -0.447 3.070 12.496 1.00 0.00 H new ATOM 0 HA GLU A 63 1.678 3.120 14.368 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.044 0.893 13.112 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.247 0.603 14.352 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.016 2.142 15.883 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.246 2.319 14.648 1.00 0.00 H new ATOM 1042 N TYR A 64 2.368 2.047 11.368 1.00 0.00 N ATOM 1043 CA TYR A 64 3.446 1.626 10.479 1.00 0.00 C ATOM 1044 C TYR A 64 4.402 2.780 10.198 1.00 0.00 C ATOM 1045 O TYR A 64 5.537 2.572 9.774 1.00 0.00 O ATOM 1046 CB TYR A 64 2.877 1.080 9.166 1.00 0.00 C ATOM 1047 CG TYR A 64 2.707 -0.423 9.150 1.00 0.00 C ATOM 1048 CD1 TYR A 64 3.803 -1.263 9.267 1.00 0.00 C ATOM 1049 CD2 TYR A 64 1.451 -0.996 9.015 1.00 0.00 C ATOM 1050 CE1 TYR A 64 3.655 -2.636 9.253 1.00 0.00 C ATOM 1051 CE2 TYR A 64 1.290 -2.368 8.999 1.00 0.00 C ATOM 1052 CZ TYR A 64 2.396 -3.185 9.118 1.00 0.00 C ATOM 1053 OH TYR A 64 2.242 -4.553 9.101 1.00 0.00 O ATOM 0 H TYR A 64 1.490 2.261 10.895 1.00 0.00 H new ATOM 0 HA TYR A 64 4.003 0.832 10.977 1.00 0.00 H new ATOM 0 HB2 TYR A 64 1.910 1.547 8.978 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.536 1.370 8.347 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.790 -0.837 9.371 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.584 -0.359 8.921 1.00 0.00 H new ATOM 0 HE1 TYR A 64 4.520 -3.276 9.347 1.00 0.00 H new ATOM 0 HE2 TYR A 64 0.305 -2.798 8.894 1.00 0.00 H new ATOM 0 HH TYR A 64 2.577 -4.930 9.941 1.00 0.00 H new ATOM 1063 N GLY A 65 3.934 4.001 10.439 1.00 0.00 N ATOM 1064 CA GLY A 65 4.728 5.175 10.131 1.00 0.00 C ATOM 1065 C GLY A 65 4.435 5.728 8.750 1.00 0.00 C ATOM 1066 O GLY A 65 5.296 6.350 8.128 1.00 0.00 O ATOM 0 H GLY A 65 3.018 4.198 10.843 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.534 5.946 10.876 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.786 4.923 10.201 1.00 0.00 H new ATOM 1070 N ILE A 66 3.218 5.499 8.269 1.00 0.00 N ATOM 1071 CA ILE A 66 2.827 5.943 6.936 1.00 0.00 C ATOM 1072 C ILE A 66 2.441 7.419 6.940 1.00 0.00 C ATOM 1073 O ILE A 66 1.502 7.826 7.624 1.00 0.00 O ATOM 1074 CB ILE A 66 1.651 5.115 6.387 1.00 0.00 C ATOM 1075 CG1 ILE A 66 2.008 3.627 6.371 1.00 0.00 C ATOM 1076 CG2 ILE A 66 1.273 5.589 4.992 1.00 0.00 C ATOM 1077 CD1 ILE A 66 3.196 3.292 5.498 1.00 0.00 C ATOM 0 H ILE A 66 2.485 5.009 8.782 1.00 0.00 H new ATOM 0 HA ILE A 66 3.692 5.798 6.289 1.00 0.00 H new ATOM 0 HB ILE A 66 0.792 5.256 7.042 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.216 3.302 7.391 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.144 3.060 6.025 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.440 4.993 4.619 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.980 6.638 5.031 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.128 5.476 4.325 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.387 2.220 5.539 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.985 3.584 4.469 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.074 3.830 5.856 1.00 0.00 H new ATOM 1089 N THR A 67 3.173 8.217 6.168 1.00 0.00 N ATOM 1090 CA THR A 67 2.981 9.661 6.164 1.00 0.00 C ATOM 1091 C THR A 67 2.414 10.139 4.832 1.00 0.00 C ATOM 1092 O THR A 67 2.006 9.331 3.998 1.00 0.00 O ATOM 1093 CB THR A 67 4.299 10.406 6.447 1.00 0.00 C ATOM 1094 OG1 THR A 67 5.199 10.225 5.346 1.00 0.00 O ATOM 1095 CG2 THR A 67 4.947 9.880 7.719 1.00 0.00 C ATOM 0 H THR A 67 3.904 7.887 5.538 1.00 0.00 H new ATOM 0 HA THR A 67 2.269 9.885 6.959 1.00 0.00 H new ATOM 0 HB THR A 67 4.079 11.466 6.575 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.036 10.701 5.526 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.877 10.418 7.903 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.270 10.028 8.560 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.159 8.817 7.606 1.00 0.00 H new ATOM 1103 N GLU A 68 2.393 11.453 4.640 1.00 0.00 N ATOM 1104 CA GLU A 68 1.922 12.034 3.387 1.00 0.00 C ATOM 1105 C GLU A 68 2.991 11.928 2.302 1.00 0.00 C ATOM 1106 O GLU A 68 2.747 12.261 1.143 1.00 0.00 O ATOM 1107 CB GLU A 68 1.518 13.495 3.591 1.00 0.00 C ATOM 1108 CG GLU A 68 0.295 13.692 4.476 1.00 0.00 C ATOM 1109 CD GLU A 68 0.021 15.151 4.713 1.00 0.00 C ATOM 1110 OE1 GLU A 68 0.774 15.964 4.231 1.00 0.00 O ATOM 1111 OE2 GLU A 68 -1.001 15.459 5.279 1.00 0.00 O ATOM 0 H GLU A 68 2.696 12.136 5.335 1.00 0.00 H new ATOM 0 HA GLU A 68 1.047 11.471 3.062 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.358 14.034 4.028 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.323 13.945 2.617 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.573 13.228 4.008 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.450 13.189 5.431 1.00 0.00 H new ATOM 1118 N PHE A 69 4.173 11.462 2.688 1.00 0.00 N ATOM 1119 CA PHE A 69 5.260 11.253 1.739 1.00 0.00 C ATOM 1120 C PHE A 69 5.592 9.771 1.608 1.00 0.00 C ATOM 1121 O PHE A 69 6.627 9.401 1.054 1.00 0.00 O ATOM 1122 CB PHE A 69 6.503 12.037 2.164 1.00 0.00 C ATOM 1123 CG PHE A 69 6.295 13.524 2.211 1.00 0.00 C ATOM 1124 CD1 PHE A 69 6.288 14.274 1.045 1.00 0.00 C ATOM 1125 CD2 PHE A 69 6.105 14.176 3.420 1.00 0.00 C ATOM 1126 CE1 PHE A 69 6.098 15.643 1.084 1.00 0.00 C ATOM 1127 CE2 PHE A 69 5.914 15.544 3.463 1.00 0.00 C ATOM 1128 CZ PHE A 69 5.911 16.277 2.296 1.00 0.00 C ATOM 0 H PHE A 69 4.403 11.222 3.652 1.00 0.00 H new ATOM 0 HA PHE A 69 4.931 11.618 0.766 1.00 0.00 H new ATOM 0 HB2 PHE A 69 6.819 11.692 3.149 1.00 0.00 H new ATOM 0 HB3 PHE A 69 7.315 11.815 1.472 1.00 0.00 H new ATOM 0 HD1 PHE A 69 6.433 13.783 0.094 1.00 0.00 H new ATOM 0 HD2 PHE A 69 6.106 13.608 4.339 1.00 0.00 H new ATOM 0 HE1 PHE A 69 6.096 16.215 0.168 1.00 0.00 H new ATOM 0 HE2 PHE A 69 5.767 16.039 4.412 1.00 0.00 H new ATOM 0 HZ PHE A 69 5.763 17.346 2.330 1.00 0.00 H new ATOM 1138 N SER A 70 4.704 8.925 2.124 1.00 0.00 N ATOM 1139 CA SER A 70 4.965 7.491 2.190 1.00 0.00 C ATOM 1140 C SER A 70 5.352 6.945 0.818 1.00 0.00 C ATOM 1141 O SER A 70 4.631 7.133 -0.161 1.00 0.00 O ATOM 1142 CB SER A 70 3.747 6.763 2.728 1.00 0.00 C ATOM 1143 OG SER A 70 3.942 5.376 2.777 1.00 0.00 O ATOM 0 H SER A 70 3.800 9.207 2.502 1.00 0.00 H new ATOM 0 HA SER A 70 5.802 7.324 2.868 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.517 7.132 3.727 1.00 0.00 H new ATOM 0 HB3 SER A 70 2.885 6.986 2.099 1.00 0.00 H new ATOM 0 HG SER A 70 4.754 5.178 3.289 1.00 0.00 H new ATOM 1149 N GLU A 71 6.494 6.267 0.759 1.00 0.00 N ATOM 1150 CA GLU A 71 6.905 5.569 -0.453 1.00 0.00 C ATOM 1151 C GLU A 71 6.828 4.057 -0.261 1.00 0.00 C ATOM 1152 O GLU A 71 7.562 3.485 0.546 1.00 0.00 O ATOM 1153 CB GLU A 71 8.322 5.979 -0.855 1.00 0.00 C ATOM 1154 CG GLU A 71 8.466 7.443 -1.246 1.00 0.00 C ATOM 1155 CD GLU A 71 9.886 7.774 -1.613 1.00 0.00 C ATOM 1156 OE1 GLU A 71 10.748 7.603 -0.785 1.00 0.00 O ATOM 1157 OE2 GLU A 71 10.125 8.091 -2.755 1.00 0.00 O ATOM 0 H GLU A 71 7.150 6.186 1.536 1.00 0.00 H new ATOM 0 HA GLU A 71 6.220 5.850 -1.253 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.997 5.769 -0.025 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.643 5.359 -1.692 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.810 7.663 -2.088 1.00 0.00 H new ATOM 0 HG3 GLU A 71 8.145 8.076 -0.418 1.00 0.00 H new ATOM 1164 N ILE A 72 5.935 3.416 -1.007 1.00 0.00 N ATOM 1165 CA ILE A 72 5.733 1.978 -0.890 1.00 0.00 C ATOM 1166 C ILE A 72 6.033 1.272 -2.207 1.00 0.00 C ATOM 1167 O ILE A 72 5.728 1.787 -3.284 1.00 0.00 O ATOM 1168 CB ILE A 72 4.296 1.641 -0.452 1.00 0.00 C ATOM 1169 CG1 ILE A 72 3.286 2.217 -1.448 1.00 0.00 C ATOM 1170 CG2 ILE A 72 4.029 2.171 0.948 1.00 0.00 C ATOM 1171 CD1 ILE A 72 1.868 1.747 -1.220 1.00 0.00 C ATOM 0 H ILE A 72 5.340 3.870 -1.699 1.00 0.00 H new ATOM 0 HA ILE A 72 6.425 1.625 -0.126 1.00 0.00 H new ATOM 0 HB ILE A 72 4.183 0.557 -0.436 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.312 3.305 -1.389 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.591 1.945 -2.459 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.009 1.924 1.242 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.729 1.716 1.649 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.158 3.253 0.958 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.211 2.198 -1.964 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.826 0.661 -1.308 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.543 2.043 -0.223 1.00 0.00 H new ATOM 1183 N VAL A 73 6.631 0.088 -2.116 1.00 0.00 N ATOM 1184 CA VAL A 73 6.891 -0.730 -3.295 1.00 0.00 C ATOM 1185 C VAL A 73 5.968 -1.942 -3.337 1.00 0.00 C ATOM 1186 O VAL A 73 5.886 -2.708 -2.378 1.00 0.00 O ATOM 1187 CB VAL A 73 8.355 -1.209 -3.339 1.00 0.00 C ATOM 1188 CG1 VAL A 73 8.592 -2.083 -4.561 1.00 0.00 C ATOM 1189 CG2 VAL A 73 9.304 -0.020 -3.343 1.00 0.00 C ATOM 0 H VAL A 73 6.944 -0.326 -1.238 1.00 0.00 H new ATOM 0 HA VAL A 73 6.699 -0.100 -4.164 1.00 0.00 H new ATOM 0 HB VAL A 73 8.551 -1.803 -2.446 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.631 -2.413 -4.577 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.936 -2.952 -4.519 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.379 -1.511 -5.464 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.334 -0.376 -3.374 1.00 0.00 H new ATOM 0 HG22 VAL A 73 9.108 0.599 -4.218 1.00 0.00 H new ATOM 0 HG23 VAL A 73 9.152 0.570 -2.439 1.00 0.00 H new ATOM 1199 N VAL A 74 5.274 -2.111 -4.459 1.00 0.00 N ATOM 1200 CA VAL A 74 4.198 -3.091 -4.552 1.00 0.00 C ATOM 1201 C VAL A 74 4.490 -4.127 -5.633 1.00 0.00 C ATOM 1202 O VAL A 74 4.898 -3.784 -6.742 1.00 0.00 O ATOM 1203 CB VAL A 74 2.844 -2.418 -4.851 1.00 0.00 C ATOM 1204 CG1 VAL A 74 1.732 -3.456 -4.896 1.00 0.00 C ATOM 1205 CG2 VAL A 74 2.537 -1.354 -3.809 1.00 0.00 C ATOM 0 H VAL A 74 5.438 -1.582 -5.316 1.00 0.00 H new ATOM 0 HA VAL A 74 4.139 -3.587 -3.583 1.00 0.00 H new ATOM 0 HB VAL A 74 2.906 -1.937 -5.827 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.783 -2.964 -5.108 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.946 -4.184 -5.678 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.670 -3.964 -3.934 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.578 -0.889 -4.036 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.493 -1.814 -2.822 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.320 -0.596 -3.822 1.00 0.00 H new ATOM 1215 N PHE A 75 4.278 -5.396 -5.300 1.00 0.00 N ATOM 1216 CA PHE A 75 4.543 -6.485 -6.232 1.00 0.00 C ATOM 1217 C PHE A 75 3.257 -7.225 -6.584 1.00 0.00 C ATOM 1218 O PHE A 75 2.407 -7.463 -5.723 1.00 0.00 O ATOM 1219 CB PHE A 75 5.568 -7.457 -5.643 1.00 0.00 C ATOM 1220 CG PHE A 75 6.891 -6.823 -5.324 1.00 0.00 C ATOM 1221 CD1 PHE A 75 7.877 -6.716 -6.294 1.00 0.00 C ATOM 1222 CD2 PHE A 75 7.152 -6.329 -4.055 1.00 0.00 C ATOM 1223 CE1 PHE A 75 9.095 -6.134 -6.002 1.00 0.00 C ATOM 1224 CE2 PHE A 75 8.370 -5.746 -3.760 1.00 0.00 C ATOM 1225 CZ PHE A 75 9.342 -5.648 -4.734 1.00 0.00 C ATOM 0 H PHE A 75 3.923 -5.695 -4.392 1.00 0.00 H new ATOM 0 HA PHE A 75 4.952 -6.055 -7.146 1.00 0.00 H new ATOM 0 HB2 PHE A 75 5.158 -7.896 -4.734 1.00 0.00 H new ATOM 0 HB3 PHE A 75 5.727 -8.273 -6.348 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.690 -7.092 -7.289 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.395 -6.401 -3.288 1.00 0.00 H new ATOM 0 HE1 PHE A 75 9.854 -6.059 -6.766 1.00 0.00 H new ATOM 0 HE2 PHE A 75 8.561 -5.367 -2.767 1.00 0.00 H new ATOM 0 HZ PHE A 75 10.294 -5.192 -4.505 1.00 0.00 H new