USER MOD reduce.3.24.130724 H: found=0, std=0, add=306, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 306 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 Single : A 1 THR N :NH3+ 151:sc= 0.0729 (180deg=0) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.0555 USER MOD Single : A 3 SER OG : rot -52:sc= 0.748 USER MOD Single : A 5 THR OG1 : rot 121:sc= 0.354 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.206 K(o=-0.21,f=-3.6!) USER MOD Single : A 24 CYS SG : rot 82:sc= 0.156 USER MOD Single : A 25 THR OG1 : rot -94:sc= 1.31 USER MOD Single : A 29 SER OG : rot 70:sc= 0.507 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -21.494 3.503 -8.072 1.00 0.00 N ATOM 2 CA THR A 1 -20.950 2.390 -7.273 1.00 0.00 C ATOM 3 C THR A 1 -21.959 1.966 -6.211 1.00 0.00 C ATOM 4 O THR A 1 -22.469 2.801 -5.460 1.00 0.00 O ATOM 5 CB THR A 1 -19.629 2.803 -6.595 1.00 0.00 C ATOM 6 OG1 THR A 1 -18.763 3.426 -7.558 1.00 0.00 O ATOM 7 CG2 THR A 1 -18.926 1.598 -5.984 1.00 0.00 C ATOM 0 H1 THR A 1 -20.713 4.094 -8.421 1.00 0.00 H new ATOM 0 H2 THR A 1 -22.028 3.122 -8.879 1.00 0.00 H new ATOM 0 H3 THR A 1 -22.126 4.079 -7.480 1.00 0.00 H new ATOM 0 HA THR A 1 -20.755 1.552 -7.942 1.00 0.00 H new ATOM 0 HB THR A 1 -19.862 3.508 -5.797 1.00 0.00 H new ATOM 0 HG1 THR A 1 -17.925 3.689 -7.123 1.00 0.00 H new ATOM 0 HG21 THR A 1 -17.997 1.919 -5.513 1.00 0.00 H new ATOM 0 HG22 THR A 1 -19.573 1.140 -5.236 1.00 0.00 H new ATOM 0 HG23 THR A 1 -18.704 0.871 -6.766 1.00 0.00 H new ATOM 17 N TRP A 2 -22.257 0.677 -6.163 1.00 0.00 N ATOM 18 CA TRP A 2 -23.220 0.144 -5.213 1.00 0.00 C ATOM 19 C TRP A 2 -22.495 -0.633 -4.121 1.00 0.00 C ATOM 20 O TRP A 2 -21.544 -1.361 -4.403 1.00 0.00 O ATOM 21 CB TRP A 2 -24.222 -0.756 -5.939 1.00 0.00 C ATOM 22 CG TRP A 2 -25.424 -1.104 -5.117 1.00 0.00 C ATOM 23 CD1 TRP A 2 -25.566 -2.174 -4.285 1.00 0.00 C ATOM 24 CD2 TRP A 2 -26.654 -0.374 -5.048 1.00 0.00 C ATOM 25 NE1 TRP A 2 -26.810 -2.157 -3.703 1.00 0.00 N ATOM 26 CE2 TRP A 2 -27.496 -1.062 -4.155 1.00 0.00 C ATOM 27 CE3 TRP A 2 -27.123 0.793 -5.654 1.00 0.00 C ATOM 28 CZ2 TRP A 2 -28.781 -0.619 -3.853 1.00 0.00 C ATOM 29 CZ3 TRP A 2 -28.398 1.231 -5.354 1.00 0.00 C ATOM 30 CH2 TRP A 2 -29.214 0.527 -4.460 1.00 0.00 C ATOM 0 H TRP A 2 -21.842 -0.024 -6.776 1.00 0.00 H new ATOM 0 HA TRP A 2 -23.764 0.967 -4.750 1.00 0.00 H new ATOM 0 HB2 TRP A 2 -24.549 -0.258 -6.852 1.00 0.00 H new ATOM 0 HB3 TRP A 2 -23.720 -1.676 -6.240 1.00 0.00 H new ATOM 0 HD1 TRP A 2 -24.811 -2.926 -4.109 1.00 0.00 H new ATOM 0 HE1 TRP A 2 -27.165 -2.848 -3.042 1.00 0.00 H new ATOM 0 HE3 TRP A 2 -26.501 1.343 -6.344 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 -29.413 -1.161 -3.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 -28.772 2.132 -5.817 1.00 0.00 H new ATOM 0 HH2 TRP A 2 -30.206 0.897 -4.246 1.00 0.00 H new ATOM 41 N SER A 3 -22.941 -0.461 -2.878 1.00 0.00 N ATOM 42 CA SER A 3 -22.341 -1.135 -1.730 1.00 0.00 C ATOM 43 C SER A 3 -20.860 -0.768 -1.602 1.00 0.00 C ATOM 44 O SER A 3 -20.021 -1.608 -1.267 1.00 0.00 O ATOM 45 CB SER A 3 -22.523 -2.656 -1.851 1.00 0.00 C ATOM 46 OG SER A 3 -21.995 -3.339 -0.723 1.00 0.00 O ATOM 0 H SER A 3 -23.725 0.147 -2.640 1.00 0.00 H new ATOM 0 HA SER A 3 -22.848 -0.801 -0.825 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.583 -2.889 -1.954 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.029 -3.011 -2.756 1.00 0.00 H new ATOM 0 HG SER A 3 -21.073 -3.046 -0.565 1.00 0.00 H new ATOM 52 N GLY A 4 -20.545 0.494 -1.869 1.00 0.00 N ATOM 53 CA GLY A 4 -19.172 0.940 -1.798 1.00 0.00 C ATOM 54 C GLY A 4 -19.057 2.444 -1.680 1.00 0.00 C ATOM 55 O GLY A 4 -18.545 3.104 -2.585 1.00 0.00 O ATOM 0 H GLY A 4 -21.218 1.214 -2.133 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.686 0.473 -0.941 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.639 0.607 -2.688 1.00 0.00 H new ATOM 59 N THR A 5 -19.546 2.987 -0.572 1.00 0.00 N ATOM 60 CA THR A 5 -19.445 4.414 -0.312 1.00 0.00 C ATOM 61 C THR A 5 -17.997 4.809 -0.034 1.00 0.00 C ATOM 62 O THR A 5 -17.317 5.372 -0.895 1.00 0.00 O ATOM 63 CB THR A 5 -20.332 4.828 0.881 1.00 0.00 C ATOM 64 OG1 THR A 5 -20.117 3.931 1.985 1.00 0.00 O ATOM 65 CG2 THR A 5 -21.805 4.821 0.491 1.00 0.00 C ATOM 0 H THR A 5 -20.017 2.458 0.161 1.00 0.00 H new ATOM 0 HA THR A 5 -19.794 4.936 -1.203 1.00 0.00 H new ATOM 0 HB THR A 5 -20.058 5.841 1.177 1.00 0.00 H new ATOM 0 HG1 THR A 5 -19.804 4.439 2.763 1.00 0.00 H new ATOM 0 HG21 THR A 5 -22.410 5.116 1.348 1.00 0.00 H new ATOM 0 HG22 THR A 5 -21.968 5.523 -0.327 1.00 0.00 H new ATOM 0 HG23 THR A 5 -22.092 3.819 0.172 1.00 0.00 H new ATOM 73 N LYS A 6 -17.525 4.495 1.162 1.00 0.00 N ATOM 74 CA LYS A 6 -16.143 4.758 1.538 1.00 0.00 C ATOM 75 C LYS A 6 -15.453 3.467 1.971 1.00 0.00 C ATOM 76 O LYS A 6 -14.233 3.422 2.128 1.00 0.00 O ATOM 77 CB LYS A 6 -16.101 5.782 2.672 1.00 0.00 C ATOM 78 CG LYS A 6 -16.879 7.052 2.364 1.00 0.00 C ATOM 79 CD LYS A 6 -16.906 8.009 3.544 1.00 0.00 C ATOM 80 CE LYS A 6 -15.509 8.468 3.928 1.00 0.00 C ATOM 81 NZ LYS A 6 -15.539 9.509 4.986 1.00 0.00 N ATOM 0 H LYS A 6 -18.082 4.055 1.894 1.00 0.00 H new ATOM 0 HA LYS A 6 -15.614 5.159 0.674 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -16.504 5.328 3.577 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -15.063 6.041 2.880 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -16.432 7.551 1.504 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -17.900 6.792 2.086 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -17.518 8.876 3.295 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -17.376 7.521 4.398 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -14.929 7.613 4.276 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -15.001 8.860 3.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -14.567 9.795 5.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -16.071 10.335 4.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -16.001 9.127 5.836 1.00 0.00 H new ATOM 95 N LYS A 7 -16.245 2.412 2.137 1.00 0.00 N ATOM 96 CA LYS A 7 -15.740 1.133 2.628 1.00 0.00 C ATOM 97 C LYS A 7 -14.800 0.481 1.620 1.00 0.00 C ATOM 98 O LYS A 7 -13.800 -0.132 1.992 1.00 0.00 O ATOM 99 CB LYS A 7 -16.900 0.185 2.930 1.00 0.00 C ATOM 100 CG LYS A 7 -17.892 0.730 3.945 1.00 0.00 C ATOM 101 CD LYS A 7 -19.039 -0.240 4.185 1.00 0.00 C ATOM 102 CE LYS A 7 -18.561 -1.533 4.830 1.00 0.00 C ATOM 103 NZ LYS A 7 -19.670 -2.501 5.019 1.00 0.00 N ATOM 0 H LYS A 7 -17.245 2.418 1.937 1.00 0.00 H new ATOM 0 HA LYS A 7 -15.181 1.330 3.543 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -17.428 -0.035 2.002 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -16.499 -0.759 3.299 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -17.379 0.927 4.886 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -18.288 1.682 3.592 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -19.785 0.231 4.825 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -19.528 -0.466 3.237 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -17.787 -1.984 4.209 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -18.105 -1.310 5.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -19.303 -3.368 5.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -20.397 -2.081 5.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -20.089 -2.734 4.096 1.00 0.00 H new ATOM 117 N ARG A 8 -15.120 0.624 0.342 1.00 0.00 N ATOM 118 CA ARG A 8 -14.322 0.022 -0.713 1.00 0.00 C ATOM 119 C ARG A 8 -13.029 0.816 -0.886 1.00 0.00 C ATOM 120 O ARG A 8 -11.981 0.262 -1.209 1.00 0.00 O ATOM 121 CB ARG A 8 -15.139 -0.022 -2.019 1.00 0.00 C ATOM 122 CG ARG A 8 -14.576 -0.925 -3.116 1.00 0.00 C ATOM 123 CD ARG A 8 -13.364 -0.318 -3.807 1.00 0.00 C ATOM 124 NE ARG A 8 -13.648 1.008 -4.357 1.00 0.00 N ATOM 125 CZ ARG A 8 -12.746 1.987 -4.448 1.00 0.00 C ATOM 126 NH1 ARG A 8 -11.507 1.795 -4.015 1.00 0.00 N ATOM 127 NH2 ARG A 8 -13.086 3.159 -4.968 1.00 0.00 N ATOM 0 H ARG A 8 -15.928 1.152 0.012 1.00 0.00 H new ATOM 0 HA ARG A 8 -14.059 -1.002 -0.448 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -16.151 -0.353 -1.784 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -15.219 0.992 -2.412 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -14.300 -1.887 -2.684 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -15.352 -1.119 -3.856 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -12.541 -0.246 -3.096 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -13.036 -0.979 -4.609 1.00 0.00 H new ATOM 0 HE ARG A 8 -14.593 1.195 -4.691 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -11.241 0.897 -3.611 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -10.820 2.545 -4.086 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -14.038 3.313 -5.299 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -12.395 3.906 -5.037 1.00 0.00 H new ATOM 141 N ALA A 9 -13.105 2.113 -0.644 1.00 0.00 N ATOM 142 CA ALA A 9 -11.943 2.977 -0.764 1.00 0.00 C ATOM 143 C ALA A 9 -10.936 2.683 0.340 1.00 0.00 C ATOM 144 O ALA A 9 -9.750 2.492 0.074 1.00 0.00 O ATOM 145 CB ALA A 9 -12.364 4.436 -0.730 1.00 0.00 C ATOM 0 H ALA A 9 -13.961 2.592 -0.363 1.00 0.00 H new ATOM 0 HA ALA A 9 -11.463 2.777 -1.722 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -11.483 5.071 -0.821 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -13.044 4.638 -1.558 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -12.868 4.647 0.213 1.00 0.00 H new ATOM 151 N GLN A 10 -11.418 2.617 1.577 1.00 0.00 N ATOM 152 CA GLN A 10 -10.544 2.378 2.721 1.00 0.00 C ATOM 153 C GLN A 10 -9.925 0.985 2.669 1.00 0.00 C ATOM 154 O GLN A 10 -8.794 0.784 3.114 1.00 0.00 O ATOM 155 CB GLN A 10 -11.300 2.598 4.044 1.00 0.00 C ATOM 156 CG GLN A 10 -12.539 1.730 4.230 1.00 0.00 C ATOM 157 CD GLN A 10 -12.299 0.505 5.097 1.00 0.00 C ATOM 158 OE1 GLN A 10 -11.201 -0.049 5.136 1.00 0.00 O ATOM 159 NE2 GLN A 10 -13.332 0.076 5.803 1.00 0.00 N ATOM 0 H GLN A 10 -12.404 2.725 1.813 1.00 0.00 H new ATOM 0 HA GLN A 10 -9.729 3.100 2.672 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -10.616 2.410 4.872 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -11.596 3.645 4.106 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -13.330 2.332 4.677 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -12.897 1.408 3.252 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -14.227 0.562 5.744 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -13.234 -0.741 6.406 1.00 0.00 H new ATOM 168 N ARG A 11 -10.656 0.025 2.107 1.00 0.00 N ATOM 169 CA ARG A 11 -10.153 -1.339 2.014 1.00 0.00 C ATOM 170 C ARG A 11 -9.047 -1.429 0.965 1.00 0.00 C ATOM 171 O ARG A 11 -8.093 -2.186 1.125 1.00 0.00 O ATOM 172 CB ARG A 11 -11.281 -2.336 1.702 1.00 0.00 C ATOM 173 CG ARG A 11 -11.774 -2.310 0.268 1.00 0.00 C ATOM 174 CD ARG A 11 -12.862 -3.344 0.039 1.00 0.00 C ATOM 175 NE ARG A 11 -12.344 -4.710 0.118 1.00 0.00 N ATOM 176 CZ ARG A 11 -12.729 -5.613 1.023 1.00 0.00 C ATOM 177 NH1 ARG A 11 -13.607 -5.291 1.965 1.00 0.00 N ATOM 178 NH2 ARG A 11 -12.225 -6.839 0.988 1.00 0.00 N ATOM 0 H ARG A 11 -11.587 0.165 1.714 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.736 -1.608 2.985 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -10.932 -3.342 1.933 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.122 -2.131 2.364 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.157 -1.317 0.031 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.941 -2.500 -0.409 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -13.650 -3.212 0.780 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -13.315 -3.184 -0.940 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.641 -4.992 -0.565 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.993 -4.348 2.001 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.896 -5.987 2.652 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.545 -7.090 0.271 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -12.518 -7.531 1.678 1.00 0.00 H new ATOM 192 N ILE A 12 -9.165 -0.638 -0.096 1.00 0.00 N ATOM 193 CA ILE A 12 -8.152 -0.620 -1.142 1.00 0.00 C ATOM 194 C ILE A 12 -6.964 0.231 -0.705 1.00 0.00 C ATOM 195 O ILE A 12 -5.826 -0.029 -1.092 1.00 0.00 O ATOM 196 CB ILE A 12 -8.724 -0.093 -2.478 1.00 0.00 C ATOM 197 CG1 ILE A 12 -9.822 -1.031 -2.990 1.00 0.00 C ATOM 198 CG2 ILE A 12 -7.627 0.058 -3.527 1.00 0.00 C ATOM 199 CD1 ILE A 12 -9.359 -2.456 -3.208 1.00 0.00 C ATOM 0 H ILE A 12 -9.949 -0.004 -0.253 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.820 -1.645 -1.305 1.00 0.00 H new ATOM 0 HB ILE A 12 -9.154 0.892 -2.296 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -10.647 -1.032 -2.277 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -10.213 -0.639 -3.929 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.060 0.430 -4.455 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.876 0.762 -3.169 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -7.160 -0.910 -3.707 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.192 -3.058 -3.570 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -8.555 -2.469 -3.944 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.996 -2.869 -2.267 1.00 0.00 H new ATOM 211 N LEU A 13 -7.245 1.233 0.124 1.00 0.00 N ATOM 212 CA LEU A 13 -6.208 2.076 0.710 1.00 0.00 C ATOM 213 C LEU A 13 -5.148 1.202 1.374 1.00 0.00 C ATOM 214 O LEU A 13 -3.955 1.453 1.243 1.00 0.00 O ATOM 215 CB LEU A 13 -6.848 3.050 1.725 1.00 0.00 C ATOM 216 CG LEU A 13 -5.947 4.148 2.330 1.00 0.00 C ATOM 217 CD1 LEU A 13 -4.987 3.581 3.367 1.00 0.00 C ATOM 218 CD2 LEU A 13 -5.179 4.881 1.242 1.00 0.00 C ATOM 0 H LEU A 13 -8.193 1.482 0.407 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.722 2.663 -0.069 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.690 3.539 1.236 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.255 2.460 2.546 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.600 4.860 2.835 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.370 4.384 3.769 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.555 3.120 4.175 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.348 2.832 2.900 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.552 5.649 1.694 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.552 4.173 0.700 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.882 5.347 0.551 1.00 0.00 H new ATOM 230 N ILE A 14 -5.602 0.159 2.063 1.00 0.00 N ATOM 231 CA ILE A 14 -4.703 -0.785 2.717 1.00 0.00 C ATOM 232 C ILE A 14 -3.721 -1.386 1.712 1.00 0.00 C ATOM 233 O ILE A 14 -2.515 -1.418 1.948 1.00 0.00 O ATOM 234 CB ILE A 14 -5.493 -1.928 3.391 1.00 0.00 C ATOM 235 CG1 ILE A 14 -6.500 -1.357 4.394 1.00 0.00 C ATOM 236 CG2 ILE A 14 -4.543 -2.900 4.080 1.00 0.00 C ATOM 237 CD1 ILE A 14 -7.372 -2.407 5.046 1.00 0.00 C ATOM 0 H ILE A 14 -6.592 -0.054 2.183 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.151 -0.233 3.478 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.041 -2.473 2.622 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.959 -0.814 5.169 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -7.137 -0.634 3.884 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.117 -3.699 4.549 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.862 -3.327 3.344 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.969 -2.370 4.840 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -8.059 -1.928 5.743 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -7.941 -2.934 4.280 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -6.745 -3.117 5.585 1.00 0.00 H new ATOM 249 N PHE A 15 -4.247 -1.832 0.581 1.00 0.00 N ATOM 250 CA PHE A 15 -3.438 -2.491 -0.436 1.00 0.00 C ATOM 251 C PHE A 15 -2.579 -1.493 -1.197 1.00 0.00 C ATOM 252 O PHE A 15 -1.441 -1.791 -1.565 1.00 0.00 O ATOM 253 CB PHE A 15 -4.330 -3.255 -1.407 1.00 0.00 C ATOM 254 CG PHE A 15 -5.087 -4.374 -0.756 1.00 0.00 C ATOM 255 CD1 PHE A 15 -4.478 -5.593 -0.511 1.00 0.00 C ATOM 256 CD2 PHE A 15 -6.405 -4.199 -0.376 1.00 0.00 C ATOM 257 CE1 PHE A 15 -5.175 -6.618 0.098 1.00 0.00 C ATOM 258 CE2 PHE A 15 -7.105 -5.216 0.234 1.00 0.00 C ATOM 259 CZ PHE A 15 -6.491 -6.428 0.472 1.00 0.00 C ATOM 0 H PHE A 15 -5.235 -1.749 0.343 1.00 0.00 H new ATOM 0 HA PHE A 15 -2.774 -3.191 0.071 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -5.038 -2.562 -1.862 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -3.717 -3.660 -2.212 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -3.448 -5.744 -0.799 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -6.892 -3.253 -0.560 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -4.692 -7.566 0.281 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -8.134 -5.065 0.526 1.00 0.00 H new ATOM 0 HZ PHE A 15 -7.038 -7.227 0.950 1.00 0.00 H new ATOM 269 N LEU A 16 -3.124 -0.311 -1.444 1.00 0.00 N ATOM 270 CA LEU A 16 -2.376 0.733 -2.123 1.00 0.00 C ATOM 271 C LEU A 16 -1.259 1.235 -1.208 1.00 0.00 C ATOM 272 O LEU A 16 -0.201 1.647 -1.678 1.00 0.00 O ATOM 273 CB LEU A 16 -3.322 1.858 -2.607 1.00 0.00 C ATOM 274 CG LEU A 16 -3.621 3.008 -1.644 1.00 0.00 C ATOM 275 CD1 LEU A 16 -2.466 3.992 -1.611 1.00 0.00 C ATOM 276 CD2 LEU A 16 -4.900 3.714 -2.069 1.00 0.00 C ATOM 0 H LEU A 16 -4.076 -0.053 -1.186 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.905 0.332 -3.020 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.896 2.285 -3.515 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.271 1.400 -2.885 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.752 2.601 -0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.698 4.803 -0.920 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.562 3.481 -1.280 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.307 4.400 -2.609 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.110 4.533 -1.381 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.779 4.110 -3.077 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.729 3.006 -2.054 1.00 0.00 H new ATOM 288 N LEU A 17 -1.495 1.168 0.099 1.00 0.00 N ATOM 289 CA LEU A 17 -0.472 1.476 1.088 1.00 0.00 C ATOM 290 C LEU A 17 0.657 0.456 1.007 1.00 0.00 C ATOM 291 O LEU A 17 1.837 0.814 0.988 1.00 0.00 O ATOM 292 CB LEU A 17 -1.089 1.475 2.487 1.00 0.00 C ATOM 293 CG LEU A 17 -0.104 1.653 3.637 1.00 0.00 C ATOM 294 CD1 LEU A 17 0.640 2.970 3.511 1.00 0.00 C ATOM 295 CD2 LEU A 17 -0.833 1.569 4.965 1.00 0.00 C ATOM 0 H LEU A 17 -2.395 0.900 0.498 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.062 2.465 0.883 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.830 2.273 2.539 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.622 0.535 2.630 1.00 0.00 H new ATOM 0 HG LEU A 17 0.631 0.849 3.593 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.337 3.075 4.342 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.191 2.988 2.571 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.073 3.794 3.529 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.121 1.697 5.780 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.588 2.354 5.016 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.315 0.595 5.054 1.00 0.00 H new ATOM 307 N GLU A 18 0.277 -0.814 0.949 1.00 0.00 N ATOM 308 CA GLU A 18 1.226 -1.908 0.760 1.00 0.00 C ATOM 309 C GLU A 18 2.089 -1.657 -0.473 1.00 0.00 C ATOM 310 O GLU A 18 3.278 -1.981 -0.488 1.00 0.00 O ATOM 311 CB GLU A 18 0.477 -3.231 0.608 1.00 0.00 C ATOM 312 CG GLU A 18 -0.339 -3.620 1.829 1.00 0.00 C ATOM 313 CD GLU A 18 0.523 -4.048 2.994 1.00 0.00 C ATOM 314 OE1 GLU A 18 0.857 -5.249 3.077 1.00 0.00 O ATOM 315 OE2 GLU A 18 0.864 -3.195 3.835 1.00 0.00 O ATOM 0 H GLU A 18 -0.694 -1.116 1.031 1.00 0.00 H new ATOM 0 HA GLU A 18 1.873 -1.962 1.636 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.187 -3.165 -0.254 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.196 -4.022 0.397 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.958 -2.775 2.131 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.016 -4.433 1.565 1.00 0.00 H new ATOM 322 N PHE A 19 1.478 -1.069 -1.501 1.00 0.00 N ATOM 323 CA PHE A 19 2.192 -0.700 -2.715 1.00 0.00 C ATOM 324 C PHE A 19 3.294 0.304 -2.401 1.00 0.00 C ATOM 325 O PHE A 19 4.437 0.120 -2.806 1.00 0.00 O ATOM 326 CB PHE A 19 1.235 -0.104 -3.750 1.00 0.00 C ATOM 327 CG PHE A 19 1.922 0.333 -5.013 1.00 0.00 C ATOM 328 CD1 PHE A 19 2.156 -0.571 -6.034 1.00 0.00 C ATOM 329 CD2 PHE A 19 2.340 1.646 -5.176 1.00 0.00 C ATOM 330 CE1 PHE A 19 2.794 -0.178 -7.192 1.00 0.00 C ATOM 331 CE2 PHE A 19 2.979 2.044 -6.333 1.00 0.00 C ATOM 332 CZ PHE A 19 3.205 1.130 -7.342 1.00 0.00 C ATOM 0 H PHE A 19 0.484 -0.838 -1.513 1.00 0.00 H new ATOM 0 HA PHE A 19 2.638 -1.604 -3.129 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.472 -0.842 -3.997 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.721 0.751 -3.310 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.835 -1.596 -5.923 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.163 2.364 -4.389 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.972 -0.894 -7.981 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.301 3.068 -6.448 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.704 1.439 -8.249 1.00 0.00 H new ATOM 342 N LEU A 20 2.944 1.365 -1.675 1.00 0.00 N ATOM 343 CA LEU A 20 3.916 2.389 -1.304 1.00 0.00 C ATOM 344 C LEU A 20 5.070 1.784 -0.521 1.00 0.00 C ATOM 345 O LEU A 20 6.228 2.110 -0.765 1.00 0.00 O ATOM 346 CB LEU A 20 3.270 3.513 -0.480 1.00 0.00 C ATOM 347 CG LEU A 20 2.646 4.663 -1.281 1.00 0.00 C ATOM 348 CD1 LEU A 20 3.634 5.217 -2.297 1.00 0.00 C ATOM 349 CD2 LEU A 20 1.368 4.223 -1.969 1.00 0.00 C ATOM 0 H LEU A 20 1.998 1.536 -1.334 1.00 0.00 H new ATOM 0 HA LEU A 20 4.297 2.817 -2.231 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.497 3.075 0.151 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.026 3.929 0.185 1.00 0.00 H new ATOM 0 HG LEU A 20 2.395 5.457 -0.577 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.167 6.031 -2.852 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.517 5.590 -1.779 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.926 4.427 -2.989 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.949 5.060 -2.528 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.587 3.402 -2.652 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.648 3.890 -1.221 1.00 0.00 H new ATOM 361 N LEU A 21 4.748 0.890 0.404 1.00 0.00 N ATOM 362 CA LEU A 21 5.766 0.225 1.211 1.00 0.00 C ATOM 363 C LEU A 21 6.669 -0.630 0.331 1.00 0.00 C ATOM 364 O LEU A 21 7.891 -0.604 0.467 1.00 0.00 O ATOM 365 CB LEU A 21 5.110 -0.650 2.279 1.00 0.00 C ATOM 366 CG LEU A 21 4.058 0.054 3.133 1.00 0.00 C ATOM 367 CD1 LEU A 21 3.436 -0.917 4.121 1.00 0.00 C ATOM 368 CD2 LEU A 21 4.666 1.244 3.865 1.00 0.00 C ATOM 0 H LEU A 21 3.791 0.608 0.615 1.00 0.00 H new ATOM 0 HA LEU A 21 6.369 0.991 1.699 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.646 -1.507 1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.888 -1.040 2.936 1.00 0.00 H new ATOM 0 HG LEU A 21 3.274 0.423 2.472 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.689 -0.397 4.721 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.961 -1.734 3.578 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.211 -1.318 4.774 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.899 1.731 4.467 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.472 0.900 4.513 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.062 1.954 3.139 1.00 0.00 H new ATOM 380 N ASP A 22 6.053 -1.375 -0.576 1.00 0.00 N ATOM 381 CA ASP A 22 6.790 -2.266 -1.472 1.00 0.00 C ATOM 382 C ASP A 22 7.615 -1.473 -2.482 1.00 0.00 C ATOM 383 O ASP A 22 8.730 -1.860 -2.832 1.00 0.00 O ATOM 384 CB ASP A 22 5.830 -3.206 -2.205 1.00 0.00 C ATOM 385 CG ASP A 22 6.554 -4.230 -3.054 1.00 0.00 C ATOM 386 OD1 ASP A 22 7.245 -5.102 -2.483 1.00 0.00 O ATOM 387 OD2 ASP A 22 6.418 -4.181 -4.294 1.00 0.00 O ATOM 0 H ASP A 22 5.042 -1.383 -0.714 1.00 0.00 H new ATOM 0 HA ASP A 22 7.471 -2.860 -0.863 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.204 -3.721 -1.476 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.165 -2.619 -2.838 1.00 0.00 H new ATOM 392 N PHE A 23 7.063 -0.360 -2.943 1.00 0.00 N ATOM 393 CA PHE A 23 7.763 0.517 -3.871 1.00 0.00 C ATOM 394 C PHE A 23 8.931 1.206 -3.170 1.00 0.00 C ATOM 395 O PHE A 23 9.997 1.403 -3.755 1.00 0.00 O ATOM 396 CB PHE A 23 6.797 1.561 -4.446 1.00 0.00 C ATOM 397 CG PHE A 23 7.413 2.464 -5.480 1.00 0.00 C ATOM 398 CD1 PHE A 23 7.503 2.060 -6.802 1.00 0.00 C ATOM 399 CD2 PHE A 23 7.899 3.715 -5.130 1.00 0.00 C ATOM 400 CE1 PHE A 23 8.066 2.884 -7.756 1.00 0.00 C ATOM 401 CE2 PHE A 23 8.464 4.544 -6.080 1.00 0.00 C ATOM 402 CZ PHE A 23 8.548 4.128 -7.395 1.00 0.00 C ATOM 0 H PHE A 23 6.128 -0.042 -2.688 1.00 0.00 H new ATOM 0 HA PHE A 23 8.155 -0.085 -4.691 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.945 1.046 -4.890 1.00 0.00 H new ATOM 0 HB3 PHE A 23 6.411 2.171 -3.630 1.00 0.00 H new ATOM 0 HD1 PHE A 23 7.128 1.089 -7.090 1.00 0.00 H new ATOM 0 HD2 PHE A 23 7.835 4.045 -4.104 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.130 2.557 -8.783 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.839 5.516 -5.795 1.00 0.00 H new ATOM 0 HZ PHE A 23 8.990 4.774 -8.139 1.00 0.00 H new ATOM 412 N CYS A 24 8.728 1.556 -1.909 1.00 0.00 N ATOM 413 CA CYS A 24 9.752 2.227 -1.125 1.00 0.00 C ATOM 414 C CYS A 24 10.556 1.227 -0.302 1.00 0.00 C ATOM 415 O CYS A 24 10.939 1.507 0.832 1.00 0.00 O ATOM 416 CB CYS A 24 9.115 3.264 -0.206 1.00 0.00 C ATOM 417 SG CYS A 24 8.137 4.511 -1.074 1.00 0.00 S ATOM 0 H CYS A 24 7.858 1.385 -1.405 1.00 0.00 H new ATOM 0 HA CYS A 24 10.432 2.727 -1.815 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.477 2.753 0.515 1.00 0.00 H new ATOM 0 HB3 CYS A 24 9.900 3.763 0.362 1.00 0.00 H new ATOM 0 HG CYS A 24 6.954 4.035 -1.329 1.00 0.00 H new ATOM 423 N THR A 25 10.800 0.060 -0.878 1.00 0.00 N ATOM 424 CA THR A 25 11.637 -0.949 -0.243 1.00 0.00 C ATOM 425 C THR A 25 13.059 -0.427 -0.064 1.00 0.00 C ATOM 426 O THR A 25 13.744 -0.765 0.902 1.00 0.00 O ATOM 427 CB THR A 25 11.648 -2.250 -1.066 1.00 0.00 C ATOM 428 OG1 THR A 25 11.433 -1.951 -2.453 1.00 0.00 O ATOM 429 CG2 THR A 25 10.579 -3.213 -0.575 1.00 0.00 C ATOM 0 H THR A 25 10.429 -0.213 -1.788 1.00 0.00 H new ATOM 0 HA THR A 25 11.217 -1.167 0.739 1.00 0.00 H new ATOM 0 HB THR A 25 12.621 -2.725 -0.943 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.479 -2.036 -2.662 1.00 0.00 H new ATOM 0 HG21 THR A 25 10.608 -4.124 -1.173 1.00 0.00 H new ATOM 0 HG22 THR A 25 10.764 -3.459 0.471 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.598 -2.747 -0.670 1.00 0.00 H new ATOM 437 N GLY A 26 13.489 0.400 -1.006 1.00 0.00 N ATOM 438 CA GLY A 26 14.753 1.090 -0.881 1.00 0.00 C ATOM 439 C GLY A 26 14.547 2.588 -0.859 1.00 0.00 C ATOM 440 O GLY A 26 13.678 3.101 -1.568 1.00 0.00 O ATOM 0 H GLY A 26 12.977 0.606 -1.864 1.00 0.00 H new ATOM 0 HA2 GLY A 26 15.256 0.774 0.033 1.00 0.00 H new ATOM 0 HA3 GLY A 26 15.404 0.820 -1.713 1.00 0.00 H new ATOM 444 N GLU A 27 15.323 3.289 -0.044 1.00 0.00 N ATOM 445 CA GLU A 27 15.199 4.739 0.066 1.00 0.00 C ATOM 446 C GLU A 27 15.605 5.414 -1.234 1.00 0.00 C ATOM 447 O GLU A 27 14.989 6.393 -1.663 1.00 0.00 O ATOM 448 CB GLU A 27 16.042 5.259 1.228 1.00 0.00 C ATOM 449 CG GLU A 27 15.475 4.892 2.586 1.00 0.00 C ATOM 450 CD GLU A 27 14.114 5.510 2.824 1.00 0.00 C ATOM 451 OE1 GLU A 27 13.099 4.922 2.396 1.00 0.00 O ATOM 452 OE2 GLU A 27 14.049 6.596 3.432 1.00 0.00 O ATOM 0 H GLU A 27 16.044 2.880 0.550 1.00 0.00 H new ATOM 0 HA GLU A 27 14.154 4.980 0.262 1.00 0.00 H new ATOM 0 HB2 GLU A 27 17.053 4.860 1.143 1.00 0.00 H new ATOM 0 HB3 GLU A 27 16.121 6.344 1.155 1.00 0.00 H new ATOM 0 HG2 GLU A 27 15.398 3.808 2.665 1.00 0.00 H new ATOM 0 HG3 GLU A 27 16.162 5.220 3.366 1.00 0.00 H new ATOM 459 N ASP A 28 16.648 4.893 -1.853 1.00 0.00 N ATOM 460 CA ASP A 28 17.051 5.340 -3.176 1.00 0.00 C ATOM 461 C ASP A 28 17.041 4.159 -4.130 1.00 0.00 C ATOM 462 O ASP A 28 16.442 4.208 -5.204 1.00 0.00 O ATOM 463 CB ASP A 28 18.443 5.970 -3.143 1.00 0.00 C ATOM 464 CG ASP A 28 18.853 6.516 -4.494 1.00 0.00 C ATOM 465 OD1 ASP A 28 19.453 5.763 -5.290 1.00 0.00 O ATOM 466 OD2 ASP A 28 18.566 7.702 -4.770 1.00 0.00 O ATOM 0 H ASP A 28 17.234 4.157 -1.460 1.00 0.00 H new ATOM 0 HA ASP A 28 16.346 6.097 -3.517 1.00 0.00 H new ATOM 0 HB2 ASP A 28 18.459 6.774 -2.407 1.00 0.00 H new ATOM 0 HB3 ASP A 28 19.170 5.226 -2.818 1.00 0.00 H new ATOM 471 N SER A 29 17.703 3.093 -3.715 1.00 0.00 N ATOM 472 CA SER A 29 17.757 1.863 -4.482 1.00 0.00 C ATOM 473 C SER A 29 17.824 0.675 -3.527 1.00 0.00 C ATOM 474 O SER A 29 18.168 0.832 -2.353 1.00 0.00 O ATOM 475 CB SER A 29 18.982 1.865 -5.402 1.00 0.00 C ATOM 476 OG SER A 29 19.010 3.020 -6.228 1.00 0.00 O ATOM 0 H SER A 29 18.218 3.057 -2.836 1.00 0.00 H new ATOM 0 HA SER A 29 16.861 1.785 -5.098 1.00 0.00 H new ATOM 0 HB2 SER A 29 19.890 1.824 -4.801 1.00 0.00 H new ATOM 0 HB3 SER A 29 18.972 0.971 -6.025 1.00 0.00 H new ATOM 0 HG SER A 29 19.205 3.809 -5.680 1.00 0.00 H new ATOM 482 N VAL A 30 17.483 -0.503 -4.021 1.00 0.00 N ATOM 483 CA VAL A 30 17.611 -1.723 -3.244 1.00 0.00 C ATOM 484 C VAL A 30 18.946 -2.360 -3.591 1.00 0.00 C ATOM 485 O VAL A 30 19.012 -3.376 -4.288 1.00 0.00 O ATOM 486 CB VAL A 30 16.451 -2.713 -3.508 1.00 0.00 C ATOM 487 CG1 VAL A 30 16.562 -3.937 -2.606 1.00 0.00 C ATOM 488 CG2 VAL A 30 15.108 -2.028 -3.305 1.00 0.00 C ATOM 0 H VAL A 30 17.114 -0.640 -4.962 1.00 0.00 H new ATOM 0 HA VAL A 30 17.564 -1.475 -2.184 1.00 0.00 H new ATOM 0 HB VAL A 30 16.521 -3.045 -4.544 1.00 0.00 H new ATOM 0 HG11 VAL A 30 15.735 -4.617 -2.812 1.00 0.00 H new ATOM 0 HG12 VAL A 30 17.506 -4.446 -2.798 1.00 0.00 H new ATOM 0 HG13 VAL A 30 16.524 -3.625 -1.562 1.00 0.00 H new ATOM 0 HG21 VAL A 30 14.304 -2.739 -3.495 1.00 0.00 H new ATOM 0 HG22 VAL A 30 15.036 -1.665 -2.280 1.00 0.00 H new ATOM 0 HG23 VAL A 30 15.020 -1.188 -3.995 1.00 0.00 H new ATOM 498 N ASP A 31 20.005 -1.670 -3.164 1.00 0.00 N ATOM 499 CA ASP A 31 21.400 -2.057 -3.420 1.00 0.00 C ATOM 500 C ASP A 31 21.818 -1.666 -4.834 1.00 0.00 C ATOM 501 O ASP A 31 22.988 -1.382 -5.096 1.00 0.00 O ATOM 502 CB ASP A 31 21.636 -3.556 -3.188 1.00 0.00 C ATOM 503 CG ASP A 31 23.074 -3.964 -3.451 1.00 0.00 C ATOM 504 OD1 ASP A 31 23.907 -3.851 -2.526 1.00 0.00 O ATOM 505 OD2 ASP A 31 23.379 -4.394 -4.585 1.00 0.00 O ATOM 0 H ASP A 31 19.919 -0.811 -2.621 1.00 0.00 H new ATOM 0 HA ASP A 31 22.019 -1.514 -2.705 1.00 0.00 H new ATOM 0 HB2 ASP A 31 21.372 -3.808 -2.161 1.00 0.00 H new ATOM 0 HB3 ASP A 31 20.974 -4.130 -3.837 1.00 0.00 H new ATOM 510 N GLY A 32 20.854 -1.638 -5.740 1.00 0.00 N ATOM 511 CA GLY A 32 21.129 -1.278 -7.112 1.00 0.00 C ATOM 512 C GLY A 32 21.254 -2.500 -7.991 1.00 0.00 C ATOM 513 O GLY A 32 20.611 -2.588 -9.039 1.00 0.00 O ATOM 0 H GLY A 32 19.878 -1.861 -5.546 1.00 0.00 H new ATOM 0 HA2 GLY A 32 20.331 -0.638 -7.488 1.00 0.00 H new ATOM 0 HA3 GLY A 32 22.051 -0.699 -7.159 1.00 0.00 H new ATOM 517 N LYS A 33 22.090 -3.442 -7.549 1.00 0.00 N ATOM 518 CA LYS A 33 22.329 -4.698 -8.261 1.00 0.00 C ATOM 519 C LYS A 33 22.919 -4.444 -9.646 1.00 0.00 C ATOM 520 O LYS A 33 22.885 -5.309 -10.521 1.00 0.00 O ATOM 521 CB LYS A 33 21.036 -5.511 -8.373 1.00 0.00 C ATOM 522 CG LYS A 33 20.410 -5.855 -7.030 1.00 0.00 C ATOM 523 CD LYS A 33 21.339 -6.706 -6.176 1.00 0.00 C ATOM 524 CE LYS A 33 20.689 -7.077 -4.854 1.00 0.00 C ATOM 525 NZ LYS A 33 21.583 -7.908 -4.009 1.00 0.00 N ATOM 0 H LYS A 33 22.622 -3.354 -6.683 1.00 0.00 H new ATOM 0 HA LYS A 33 23.053 -5.274 -7.685 1.00 0.00 H new ATOM 0 HB2 LYS A 33 20.315 -4.949 -8.967 1.00 0.00 H new ATOM 0 HB3 LYS A 33 21.244 -6.434 -8.914 1.00 0.00 H new ATOM 0 HG2 LYS A 33 20.166 -4.936 -6.497 1.00 0.00 H new ATOM 0 HG3 LYS A 33 19.473 -6.389 -7.191 1.00 0.00 H new ATOM 0 HD2 LYS A 33 21.607 -7.612 -6.719 1.00 0.00 H new ATOM 0 HD3 LYS A 33 22.264 -6.162 -5.988 1.00 0.00 H new ATOM 0 HE2 LYS A 33 20.421 -6.169 -4.314 1.00 0.00 H new ATOM 0 HE3 LYS A 33 19.763 -7.619 -5.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 21.101 -8.139 -3.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 21.819 -8.787 -4.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 22.456 -7.381 -3.805 1.00 0.00 H new ATOM 539 N LYS A 34 23.468 -3.255 -9.833 1.00 0.00 N ATOM 540 CA LYS A 34 24.047 -2.861 -11.098 1.00 0.00 C ATOM 541 C LYS A 34 25.487 -2.422 -10.897 1.00 0.00 C ATOM 542 O LYS A 34 26.405 -2.944 -11.532 1.00 0.00 O ATOM 543 CB LYS A 34 23.227 -1.723 -11.707 1.00 0.00 C ATOM 544 CG LYS A 34 21.833 -2.142 -12.149 1.00 0.00 C ATOM 545 CD LYS A 34 20.989 -0.949 -12.575 1.00 0.00 C ATOM 546 CE LYS A 34 20.634 -0.057 -11.393 1.00 0.00 C ATOM 547 NZ LYS A 34 19.774 1.087 -11.793 1.00 0.00 N ATOM 0 H LYS A 34 23.523 -2.539 -9.109 1.00 0.00 H new ATOM 0 HA LYS A 34 24.034 -3.712 -11.779 1.00 0.00 H new ATOM 0 HB2 LYS A 34 23.140 -0.918 -10.977 1.00 0.00 H new ATOM 0 HB3 LYS A 34 23.764 -1.319 -12.565 1.00 0.00 H new ATOM 0 HG2 LYS A 34 21.911 -2.846 -12.978 1.00 0.00 H new ATOM 0 HG3 LYS A 34 21.335 -2.665 -11.333 1.00 0.00 H new ATOM 0 HD2 LYS A 34 21.532 -0.367 -13.320 1.00 0.00 H new ATOM 0 HD3 LYS A 34 20.075 -1.302 -13.051 1.00 0.00 H new ATOM 0 HE2 LYS A 34 20.120 -0.648 -10.635 1.00 0.00 H new ATOM 0 HE3 LYS A 34 21.549 0.320 -10.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 19.557 1.667 -10.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 20.273 1.667 -12.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 18.889 0.729 -12.205 1.00 0.00 H new ATOM 561 N ARG A 35 25.674 -1.464 -10.002 1.00 0.00 N ATOM 562 CA ARG A 35 26.997 -0.951 -9.684 1.00 0.00 C ATOM 563 C ARG A 35 26.960 -0.188 -8.371 1.00 0.00 C ATOM 564 O ARG A 35 25.905 -0.045 -7.754 1.00 0.00 O ATOM 565 CB ARG A 35 27.498 -0.017 -10.786 1.00 0.00 C ATOM 566 CG ARG A 35 26.579 1.167 -11.041 1.00 0.00 C ATOM 567 CD ARG A 35 27.348 2.363 -11.577 1.00 0.00 C ATOM 568 NE ARG A 35 28.279 2.897 -10.581 1.00 0.00 N ATOM 569 CZ ARG A 35 29.403 3.549 -10.880 1.00 0.00 C ATOM 570 NH1 ARG A 35 29.725 3.784 -12.145 1.00 0.00 N ATOM 571 NH2 ARG A 35 30.202 3.973 -9.908 1.00 0.00 N ATOM 0 H ARG A 35 24.918 -1.023 -9.479 1.00 0.00 H new ATOM 0 HA ARG A 35 27.675 -1.801 -9.600 1.00 0.00 H new ATOM 0 HB2 ARG A 35 28.487 0.352 -10.516 1.00 0.00 H new ATOM 0 HB3 ARG A 35 27.611 -0.585 -11.709 1.00 0.00 H new ATOM 0 HG2 ARG A 35 25.805 0.882 -11.754 1.00 0.00 H new ATOM 0 HG3 ARG A 35 26.074 1.443 -10.115 1.00 0.00 H new ATOM 0 HD2 ARG A 35 27.899 2.071 -12.471 1.00 0.00 H new ATOM 0 HD3 ARG A 35 26.647 3.143 -11.875 1.00 0.00 H new ATOM 0 HE ARG A 35 28.053 2.762 -9.596 1.00 0.00 H new ATOM 0 HH11 ARG A 35 29.112 3.465 -12.895 1.00 0.00 H new ATOM 0 HH12 ARG A 35 30.586 4.283 -12.368 1.00 0.00 H new ATOM 0 HH21 ARG A 35 29.956 3.800 -8.933 1.00 0.00 H new ATOM 0 HH22 ARG A 35 31.062 4.472 -10.136 1.00 0.00 H new ATOM 585 N GLN A 36 28.114 0.303 -7.955 1.00 0.00 N ATOM 586 CA GLN A 36 28.201 1.188 -6.810 1.00 0.00 C ATOM 587 C GLN A 36 28.668 2.557 -7.275 1.00 0.00 C ATOM 588 O GLN A 36 29.882 2.732 -7.491 1.00 0.00 O ATOM 589 CB GLN A 36 29.155 0.629 -5.753 1.00 0.00 C ATOM 590 CG GLN A 36 28.666 -0.658 -5.113 1.00 0.00 C ATOM 591 CD GLN A 36 29.601 -1.165 -4.036 1.00 0.00 C ATOM 592 OE1 GLN A 36 30.812 -0.964 -4.099 1.00 0.00 O ATOM 593 NE2 GLN A 36 29.042 -1.816 -3.032 1.00 0.00 N ATOM 594 OXT GLN A 36 27.815 3.442 -7.462 1.00 0.00 O ATOM 0 H GLN A 36 29.010 0.101 -8.398 1.00 0.00 H new ATOM 0 HA GLN A 36 27.216 1.273 -6.352 1.00 0.00 H new ATOM 0 HB2 GLN A 36 30.128 0.450 -6.212 1.00 0.00 H new ATOM 0 HB3 GLN A 36 29.302 1.379 -4.975 1.00 0.00 H new ATOM 0 HG2 GLN A 36 27.678 -0.493 -4.683 1.00 0.00 H new ATOM 0 HG3 GLN A 36 28.555 -1.422 -5.882 1.00 0.00 H new ATOM 0 HE21 GLN A 36 28.033 -1.962 -3.018 1.00 0.00 H new ATOM 0 HE22 GLN A 36 29.620 -2.173 -2.271 1.00 0.00 H new TER 603 GLN A 36