USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 608 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 37 HIS : no HD1:sc= -1.24 K(o=-1.2,f=-2.7!) USER MOD Set 1.2: A 49 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 29 SER OG : rot 112:sc= -0.673 USER MOD Set 2.2: A 53 LYS NZ :NH3+ 175:sc= -0.447 (180deg=-0.00267) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 148:sc= 0.0792 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.153 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0686 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 165:sc= -0.441 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -2.08 K(o=-2.1,f=-0.21) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.222 X(o=-0.22,f=-0.034) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 66:sc= 0.614 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot -15:sc= -0.0843 USER MOD Single : A 50 THR OG1 : rot -150:sc= 0.106 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0.104 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= -0.267 USER MOD Single : A 64 TYR OH : rot 136:sc= -0.789 USER MOD Single : A 66 HIS : no HD1:sc= -0.387 X(o=-0.39,f=0.049) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.730 8.228 9.868 1.00 0.00 N ATOM 2 CA MET A 1 -13.259 8.028 9.950 1.00 0.00 C ATOM 3 C MET A 1 -12.818 7.754 11.385 1.00 0.00 C ATOM 4 O MET A 1 -13.483 8.157 12.338 1.00 0.00 O ATOM 5 CB MET A 1 -12.567 9.284 9.416 1.00 0.00 C ATOM 6 CG MET A 1 -12.507 9.346 7.898 1.00 0.00 C ATOM 7 SD MET A 1 -13.791 10.402 7.197 1.00 0.00 S ATOM 8 CE MET A 1 -12.836 11.362 6.024 1.00 0.00 C ATOM 0 H1 MET A 1 -14.947 8.901 9.105 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.193 7.318 9.669 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.080 8.605 10.772 1.00 0.00 H new ATOM 0 HA MET A 1 -12.982 7.161 9.351 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.093 10.164 9.787 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.553 9.327 9.814 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.529 9.717 7.591 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.608 8.339 7.492 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.492 12.064 5.509 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.059 11.913 6.553 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.376 10.694 5.296 1.00 0.00 H new ATOM 20 N THR A 2 -11.691 7.064 11.528 1.00 0.00 N ATOM 21 CA THR A 2 -11.160 6.734 12.846 1.00 0.00 C ATOM 22 C THR A 2 -9.904 7.549 13.145 1.00 0.00 C ATOM 23 O THR A 2 -9.780 8.147 14.213 1.00 0.00 O ATOM 24 CB THR A 2 -10.843 5.241 12.929 1.00 0.00 C ATOM 25 OG1 THR A 2 -9.805 4.896 12.029 1.00 0.00 O ATOM 26 CG2 THR A 2 -12.032 4.359 12.615 1.00 0.00 C ATOM 0 H THR A 2 -11.128 6.723 10.749 1.00 0.00 H new ATOM 0 HA THR A 2 -11.918 6.981 13.590 1.00 0.00 H new ATOM 0 HB THR A 2 -10.543 5.068 13.963 1.00 0.00 H new ATOM 0 HG1 THR A 2 -9.616 3.937 12.099 1.00 0.00 H new ATOM 0 HG21 THR A 2 -11.739 3.312 12.692 1.00 0.00 H new ATOM 0 HG22 THR A 2 -12.834 4.564 13.324 1.00 0.00 H new ATOM 0 HG23 THR A 2 -12.380 4.565 11.603 1.00 0.00 H new ATOM 34 N ARG A 3 -8.980 7.568 12.190 1.00 0.00 N ATOM 35 CA ARG A 3 -7.733 8.310 12.346 1.00 0.00 C ATOM 36 C ARG A 3 -7.199 8.752 10.987 1.00 0.00 C ATOM 37 O ARG A 3 -6.829 9.911 10.800 1.00 0.00 O ATOM 38 CB ARG A 3 -6.688 7.453 13.063 1.00 0.00 C ATOM 39 CG ARG A 3 -7.243 6.676 14.244 1.00 0.00 C ATOM 40 CD ARG A 3 -6.176 5.803 14.886 1.00 0.00 C ATOM 41 NE ARG A 3 -5.496 6.487 15.984 1.00 0.00 N ATOM 42 CZ ARG A 3 -4.531 5.937 16.716 1.00 0.00 C ATOM 43 NH1 ARG A 3 -4.126 4.697 16.470 1.00 0.00 N ATOM 44 NH2 ARG A 3 -3.967 6.628 17.696 1.00 0.00 N ATOM 0 H ARG A 3 -9.071 7.078 11.300 1.00 0.00 H new ATOM 0 HA ARG A 3 -7.936 9.196 12.948 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -6.254 6.752 12.350 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.879 8.096 13.410 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -7.640 7.371 14.984 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -8.074 6.053 13.913 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -6.633 4.886 15.258 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -5.445 5.511 14.132 1.00 0.00 H new ATOM 0 HE ARG A 3 -5.778 7.443 16.202 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -4.555 4.160 15.716 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -3.386 4.281 17.035 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -4.273 7.582 17.889 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -3.227 6.206 18.257 1.00 0.00 H new ATOM 58 N TRP A 4 -7.163 7.818 10.045 1.00 0.00 N ATOM 59 CA TRP A 4 -6.677 8.101 8.699 1.00 0.00 C ATOM 60 C TRP A 4 -7.779 7.843 7.668 1.00 0.00 C ATOM 61 O TRP A 4 -8.945 7.690 8.025 1.00 0.00 O ATOM 62 CB TRP A 4 -5.440 7.248 8.399 1.00 0.00 C ATOM 63 CG TRP A 4 -4.553 7.826 7.339 1.00 0.00 C ATOM 64 CD1 TRP A 4 -4.116 9.112 7.242 1.00 0.00 C ATOM 65 CD2 TRP A 4 -4.008 7.133 6.216 1.00 0.00 C ATOM 66 NE1 TRP A 4 -3.328 9.260 6.124 1.00 0.00 N ATOM 67 CE2 TRP A 4 -3.248 8.055 5.477 1.00 0.00 C ATOM 68 CE3 TRP A 4 -4.091 5.820 5.771 1.00 0.00 C ATOM 69 CZ2 TRP A 4 -2.575 7.698 4.311 1.00 0.00 C ATOM 70 CZ3 TRP A 4 -3.425 5.462 4.613 1.00 0.00 C ATOM 71 CH2 TRP A 4 -2.674 6.399 3.894 1.00 0.00 C ATOM 0 H TRP A 4 -7.466 6.855 10.188 1.00 0.00 H new ATOM 0 HA TRP A 4 -6.396 9.152 8.638 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -4.863 7.125 9.316 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -5.762 6.254 8.089 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -4.353 9.901 7.941 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -2.877 10.125 5.826 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -4.667 5.090 6.321 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -1.996 8.421 3.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -3.485 4.444 4.258 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -2.163 6.091 2.994 1.00 0.00 H new ATOM 82 N VAL A 5 -7.405 7.805 6.392 1.00 0.00 N ATOM 83 CA VAL A 5 -8.362 7.576 5.315 1.00 0.00 C ATOM 84 C VAL A 5 -9.231 6.346 5.575 1.00 0.00 C ATOM 85 O VAL A 5 -8.750 5.334 6.085 1.00 0.00 O ATOM 86 CB VAL A 5 -7.648 7.396 3.964 1.00 0.00 C ATOM 87 CG1 VAL A 5 -7.096 8.724 3.470 1.00 0.00 C ATOM 88 CG2 VAL A 5 -6.538 6.356 4.080 1.00 0.00 C ATOM 0 H VAL A 5 -6.443 7.930 6.079 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.999 8.460 5.280 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.375 7.038 3.234 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -6.595 8.576 2.513 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -7.914 9.434 3.345 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -6.384 9.115 4.197 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -6.044 6.242 3.115 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -5.811 6.682 4.824 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -6.965 5.400 4.384 1.00 0.00 H new ATOM 98 N PRO A 6 -10.526 6.418 5.222 1.00 0.00 N ATOM 99 CA PRO A 6 -11.460 5.313 5.413 1.00 0.00 C ATOM 100 C PRO A 6 -11.449 4.334 4.243 1.00 0.00 C ATOM 101 O PRO A 6 -11.825 4.686 3.123 1.00 0.00 O ATOM 102 CB PRO A 6 -12.802 6.034 5.494 1.00 0.00 C ATOM 103 CG PRO A 6 -12.648 7.205 4.581 1.00 0.00 C ATOM 104 CD PRO A 6 -11.187 7.586 4.606 1.00 0.00 C ATOM 0 HA PRO A 6 -11.220 4.706 6.286 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -13.620 5.388 5.177 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -13.022 6.351 6.513 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -12.964 6.951 3.569 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -13.271 8.037 4.910 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -10.807 7.777 3.603 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -11.020 8.492 5.188 1.00 0.00 H new ATOM 112 N THR A 7 -11.021 3.105 4.507 1.00 0.00 N ATOM 113 CA THR A 7 -10.967 2.075 3.473 1.00 0.00 C ATOM 114 C THR A 7 -12.191 1.168 3.553 1.00 0.00 C ATOM 115 O THR A 7 -12.451 0.549 4.583 1.00 0.00 O ATOM 116 CB THR A 7 -9.686 1.240 3.603 1.00 0.00 C ATOM 117 OG1 THR A 7 -9.840 -0.021 2.975 1.00 0.00 O ATOM 118 CG2 THR A 7 -9.277 0.985 5.038 1.00 0.00 C ATOM 0 H THR A 7 -10.706 2.796 5.427 1.00 0.00 H new ATOM 0 HA THR A 7 -10.962 2.572 2.503 1.00 0.00 H new ATOM 0 HB THR A 7 -8.910 1.833 3.119 1.00 0.00 H new ATOM 0 HG1 THR A 7 -9.012 -0.536 3.068 1.00 0.00 H new ATOM 0 HG21 THR A 7 -8.364 0.389 5.056 1.00 0.00 H new ATOM 0 HG22 THR A 7 -9.100 1.936 5.540 1.00 0.00 H new ATOM 0 HG23 THR A 7 -10.072 0.446 5.553 1.00 0.00 H new ATOM 126 N LYS A 8 -12.941 1.098 2.457 1.00 0.00 N ATOM 127 CA LYS A 8 -14.138 0.268 2.405 1.00 0.00 C ATOM 128 C LYS A 8 -13.792 -1.198 2.641 1.00 0.00 C ATOM 129 O LYS A 8 -12.625 -1.550 2.812 1.00 0.00 O ATOM 130 CB LYS A 8 -14.838 0.430 1.053 1.00 0.00 C ATOM 131 CG LYS A 8 -16.341 0.630 1.167 1.00 0.00 C ATOM 132 CD LYS A 8 -16.677 1.863 1.988 1.00 0.00 C ATOM 133 CE LYS A 8 -18.127 2.281 1.799 1.00 0.00 C ATOM 134 NZ LYS A 8 -18.614 3.123 2.927 1.00 0.00 N ATOM 0 H LYS A 8 -12.741 1.605 1.595 1.00 0.00 H new ATOM 0 HA LYS A 8 -14.813 0.595 3.196 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.405 1.282 0.529 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -14.642 -0.452 0.444 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -16.773 0.726 0.171 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -16.792 -0.249 1.627 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -16.490 1.661 3.043 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -16.020 2.684 1.699 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -18.227 2.833 0.864 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -18.753 1.393 1.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -19.606 3.387 2.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -18.543 2.588 3.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -18.034 3.983 2.994 1.00 0.00 H new ATOM 148 N ARG A 9 -14.812 -2.049 2.653 1.00 0.00 N ATOM 149 CA ARG A 9 -14.613 -3.477 2.870 1.00 0.00 C ATOM 150 C ARG A 9 -13.719 -4.072 1.786 1.00 0.00 C ATOM 151 O ARG A 9 -14.207 -4.597 0.785 1.00 0.00 O ATOM 152 CB ARG A 9 -15.959 -4.203 2.893 1.00 0.00 C ATOM 153 CG ARG A 9 -15.917 -5.538 3.619 1.00 0.00 C ATOM 154 CD ARG A 9 -17.273 -5.894 4.208 1.00 0.00 C ATOM 155 NE ARG A 9 -18.017 -6.815 3.352 1.00 0.00 N ATOM 156 CZ ARG A 9 -19.137 -7.432 3.723 1.00 0.00 C ATOM 157 NH1 ARG A 9 -19.645 -7.229 4.932 1.00 0.00 N ATOM 158 NH2 ARG A 9 -19.750 -8.253 2.883 1.00 0.00 N ATOM 0 H ARG A 9 -15.785 -1.775 2.515 1.00 0.00 H new ATOM 0 HA ARG A 9 -14.121 -3.608 3.834 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -16.700 -3.562 3.371 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -16.292 -4.366 1.868 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -15.603 -6.320 2.928 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -15.173 -5.498 4.414 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -17.134 -6.344 5.191 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -17.855 -4.984 4.354 1.00 0.00 H new ATOM 0 HE ARG A 9 -17.657 -6.996 2.415 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -19.177 -6.598 5.582 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -20.503 -7.704 5.211 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -19.364 -8.412 1.952 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -20.608 -8.726 3.167 1.00 0.00 H new ATOM 172 N GLU A 10 -12.409 -3.984 1.994 1.00 0.00 N ATOM 173 CA GLU A 10 -11.446 -4.512 1.034 1.00 0.00 C ATOM 174 C GLU A 10 -10.918 -5.868 1.487 1.00 0.00 C ATOM 175 O GLU A 10 -11.123 -6.882 0.818 1.00 0.00 O ATOM 176 CB GLU A 10 -10.284 -3.532 0.856 1.00 0.00 C ATOM 177 CG GLU A 10 -9.460 -3.787 -0.395 1.00 0.00 C ATOM 178 CD GLU A 10 -9.832 -2.862 -1.536 1.00 0.00 C ATOM 179 OE1 GLU A 10 -9.431 -1.679 -1.497 1.00 0.00 O ATOM 180 OE2 GLU A 10 -10.526 -3.319 -2.469 1.00 0.00 O ATOM 0 H GLU A 10 -11.990 -3.552 2.818 1.00 0.00 H new ATOM 0 HA GLU A 10 -11.954 -4.640 0.078 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.678 -2.516 0.821 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.633 -3.591 1.728 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.403 -3.662 -0.161 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.597 -4.821 -0.711 1.00 0.00 H new ATOM 187 N GLU A 11 -10.235 -5.882 2.627 1.00 0.00 N ATOM 188 CA GLU A 11 -9.676 -7.114 3.170 1.00 0.00 C ATOM 189 C GLU A 11 -8.700 -7.749 2.183 1.00 0.00 C ATOM 190 O GLU A 11 -8.560 -7.289 1.050 1.00 0.00 O ATOM 191 CB GLU A 11 -10.795 -8.101 3.509 1.00 0.00 C ATOM 192 CG GLU A 11 -10.673 -8.708 4.897 1.00 0.00 C ATOM 193 CD GLU A 11 -10.948 -7.702 5.998 1.00 0.00 C ATOM 194 OE1 GLU A 11 -12.116 -7.286 6.143 1.00 0.00 O ATOM 195 OE2 GLU A 11 -9.994 -7.332 6.714 1.00 0.00 O ATOM 0 H GLU A 11 -10.055 -5.053 3.193 1.00 0.00 H new ATOM 0 HA GLU A 11 -9.132 -6.867 4.082 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -11.755 -7.591 3.428 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -10.797 -8.902 2.770 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -11.370 -9.541 4.988 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.670 -9.116 5.025 1.00 0.00 H new ATOM 202 N LYS A 12 -8.026 -8.808 2.623 1.00 0.00 N ATOM 203 CA LYS A 12 -7.064 -9.504 1.778 1.00 0.00 C ATOM 204 C LYS A 12 -5.935 -8.569 1.356 1.00 0.00 C ATOM 205 O LYS A 12 -6.030 -7.352 1.520 1.00 0.00 O ATOM 206 CB LYS A 12 -7.757 -10.076 0.540 1.00 0.00 C ATOM 207 CG LYS A 12 -8.570 -11.330 0.821 1.00 0.00 C ATOM 208 CD LYS A 12 -9.491 -11.669 -0.340 1.00 0.00 C ATOM 209 CE LYS A 12 -10.742 -12.390 0.133 1.00 0.00 C ATOM 210 NZ LYS A 12 -11.895 -11.459 0.287 1.00 0.00 N ATOM 0 H LYS A 12 -8.129 -9.201 3.558 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.638 -10.323 2.357 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.413 -9.315 0.117 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.004 -10.303 -0.215 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.897 -12.167 1.009 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.161 -11.187 1.726 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.772 -10.754 -0.861 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.959 -12.294 -1.057 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.001 -13.174 -0.579 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.541 -12.879 1.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.729 -11.990 0.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -11.658 -10.726 0.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -12.104 -11.011 -0.628 1.00 0.00 H new ATOM 224 N TYR A 13 -4.870 -9.145 0.808 1.00 0.00 N ATOM 225 CA TYR A 13 -3.724 -8.362 0.359 1.00 0.00 C ATOM 226 C TYR A 13 -3.569 -8.441 -1.156 1.00 0.00 C ATOM 227 O TYR A 13 -4.179 -9.287 -1.809 1.00 0.00 O ATOM 228 CB TYR A 13 -2.444 -8.850 1.042 1.00 0.00 C ATOM 229 CG TYR A 13 -2.348 -10.355 1.154 1.00 0.00 C ATOM 230 CD1 TYR A 13 -2.204 -11.148 0.023 1.00 0.00 C ATOM 231 CD2 TYR A 13 -2.400 -10.982 2.393 1.00 0.00 C ATOM 232 CE1 TYR A 13 -2.115 -12.525 0.123 1.00 0.00 C ATOM 233 CE2 TYR A 13 -2.311 -12.358 2.501 1.00 0.00 C ATOM 234 CZ TYR A 13 -2.170 -13.124 1.363 1.00 0.00 C ATOM 235 OH TYR A 13 -2.080 -14.493 1.467 1.00 0.00 O ATOM 0 H TYR A 13 -4.776 -10.150 0.664 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.899 -7.322 0.634 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.583 -8.481 0.485 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.388 -8.416 2.040 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.161 -10.682 -0.950 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.512 -10.385 3.286 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.003 -13.128 -0.766 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.352 -12.830 3.472 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.894 -14.739 2.397 1.00 0.00 H new ATOM 245 N GLY A 14 -2.750 -7.552 -1.709 1.00 0.00 N ATOM 246 CA GLY A 14 -2.530 -7.536 -3.142 1.00 0.00 C ATOM 247 C GLY A 14 -1.058 -7.581 -3.502 1.00 0.00 C ATOM 248 O GLY A 14 -0.235 -8.052 -2.717 1.00 0.00 O ATOM 0 H GLY A 14 -2.235 -6.842 -1.189 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -3.038 -8.388 -3.594 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -2.977 -6.637 -3.565 1.00 0.00 H new ATOM 252 N VAL A 15 -0.727 -7.091 -4.692 1.00 0.00 N ATOM 253 CA VAL A 15 0.657 -7.077 -5.153 1.00 0.00 C ATOM 254 C VAL A 15 1.060 -5.689 -5.638 1.00 0.00 C ATOM 255 O VAL A 15 0.232 -4.930 -6.141 1.00 0.00 O ATOM 256 CB VAL A 15 0.883 -8.092 -6.290 1.00 0.00 C ATOM 257 CG1 VAL A 15 2.354 -8.144 -6.681 1.00 0.00 C ATOM 258 CG2 VAL A 15 0.386 -9.470 -5.883 1.00 0.00 C ATOM 0 H VAL A 15 -1.397 -6.699 -5.354 1.00 0.00 H new ATOM 0 HA VAL A 15 1.276 -7.356 -4.301 1.00 0.00 H new ATOM 0 HB VAL A 15 0.312 -7.765 -7.159 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.491 -8.867 -7.485 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.676 -7.159 -7.019 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.949 -8.443 -5.818 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.554 -10.173 -6.699 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.927 -9.805 -4.998 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.680 -9.421 -5.660 1.00 0.00 H new ATOM 268 N ALA A 16 2.340 -5.367 -5.487 1.00 0.00 N ATOM 269 CA ALA A 16 2.859 -4.073 -5.911 1.00 0.00 C ATOM 270 C ALA A 16 4.016 -4.246 -6.887 1.00 0.00 C ATOM 271 O ALA A 16 5.095 -4.701 -6.506 1.00 0.00 O ATOM 272 CB ALA A 16 3.310 -3.267 -4.701 1.00 0.00 C ATOM 0 H ALA A 16 3.038 -5.986 -5.073 1.00 0.00 H new ATOM 0 HA ALA A 16 2.060 -3.534 -6.420 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.696 -2.302 -5.030 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.464 -3.110 -4.032 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.094 -3.811 -4.173 1.00 0.00 H new ATOM 278 N PHE A 17 3.794 -3.883 -8.147 1.00 0.00 N ATOM 279 CA PHE A 17 4.839 -4.006 -9.157 1.00 0.00 C ATOM 280 C PHE A 17 5.422 -2.643 -9.509 1.00 0.00 C ATOM 281 O PHE A 17 4.923 -1.949 -10.395 1.00 0.00 O ATOM 282 CB PHE A 17 4.284 -4.678 -10.416 1.00 0.00 C ATOM 283 CG PHE A 17 2.978 -4.102 -10.881 1.00 0.00 C ATOM 284 CD1 PHE A 17 1.779 -4.544 -10.346 1.00 0.00 C ATOM 285 CD2 PHE A 17 2.947 -3.118 -11.858 1.00 0.00 C ATOM 286 CE1 PHE A 17 0.575 -4.016 -10.772 1.00 0.00 C ATOM 287 CE2 PHE A 17 1.747 -2.586 -12.289 1.00 0.00 C ATOM 288 CZ PHE A 17 0.560 -3.037 -11.746 1.00 0.00 C ATOM 0 H PHE A 17 2.911 -3.506 -8.490 1.00 0.00 H new ATOM 0 HA PHE A 17 5.636 -4.624 -8.744 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.017 -4.588 -11.218 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.153 -5.742 -10.221 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.785 -5.311 -9.586 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.872 -2.763 -12.287 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.352 -4.368 -10.344 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.737 -1.819 -13.049 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.379 -2.624 -12.083 1.00 0.00 H new ATOM 298 N TYR A 18 6.491 -2.267 -8.813 1.00 0.00 N ATOM 299 CA TYR A 18 7.154 -0.993 -9.056 1.00 0.00 C ATOM 300 C TYR A 18 8.566 -0.992 -8.478 1.00 0.00 C ATOM 301 O TYR A 18 8.996 -1.962 -7.857 1.00 0.00 O ATOM 302 CB TYR A 18 6.344 0.153 -8.449 1.00 0.00 C ATOM 303 CG TYR A 18 6.218 1.354 -9.358 1.00 0.00 C ATOM 304 CD1 TYR A 18 5.323 1.355 -10.422 1.00 0.00 C ATOM 305 CD2 TYR A 18 6.994 2.488 -9.154 1.00 0.00 C ATOM 306 CE1 TYR A 18 5.206 2.452 -11.254 1.00 0.00 C ATOM 307 CE2 TYR A 18 6.882 3.589 -9.982 1.00 0.00 C ATOM 308 CZ TYR A 18 5.988 3.566 -11.030 1.00 0.00 C ATOM 309 OH TYR A 18 5.873 4.660 -11.858 1.00 0.00 O ATOM 0 H TYR A 18 6.916 -2.829 -8.075 1.00 0.00 H new ATOM 0 HA TYR A 18 7.222 -0.851 -10.135 1.00 0.00 H new ATOM 0 HB2 TYR A 18 5.347 -0.210 -8.201 1.00 0.00 H new ATOM 0 HB3 TYR A 18 6.812 0.463 -7.515 1.00 0.00 H new ATOM 0 HD1 TYR A 18 4.709 0.484 -10.601 1.00 0.00 H new ATOM 0 HD2 TYR A 18 7.697 2.510 -8.334 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.506 2.437 -12.076 1.00 0.00 H new ATOM 0 HE2 TYR A 18 7.492 4.463 -9.808 1.00 0.00 H new ATOM 0 HH TYR A 18 6.492 5.360 -11.563 1.00 0.00 H new ATOM 319 N ASN A 19 9.274 0.113 -8.676 1.00 0.00 N ATOM 320 CA ASN A 19 10.631 0.258 -8.165 1.00 0.00 C ATOM 321 C ASN A 19 10.694 1.401 -7.152 1.00 0.00 C ATOM 322 O ASN A 19 11.494 2.326 -7.291 1.00 0.00 O ATOM 323 CB ASN A 19 11.609 0.516 -9.312 1.00 0.00 C ATOM 324 CG ASN A 19 11.614 -0.608 -10.332 1.00 0.00 C ATOM 325 OD1 ASN A 19 12.577 -1.365 -10.432 1.00 0.00 O ATOM 326 ND2 ASN A 19 10.533 -0.718 -11.095 1.00 0.00 N ATOM 0 H ASN A 19 8.929 0.925 -9.189 1.00 0.00 H new ATOM 0 HA ASN A 19 10.915 -0.669 -7.668 1.00 0.00 H new ATOM 0 HB2 ASN A 19 11.346 1.451 -9.807 1.00 0.00 H new ATOM 0 HB3 ASN A 19 12.614 0.641 -8.908 1.00 0.00 H new ATOM 0 HD21 ASN A 19 10.479 -1.454 -11.799 1.00 0.00 H new ATOM 0 HD22 ASN A 19 9.757 -0.067 -10.977 1.00 0.00 H new ATOM 333 N TYR A 20 9.834 1.330 -6.140 1.00 0.00 N ATOM 334 CA TYR A 20 9.778 2.359 -5.107 1.00 0.00 C ATOM 335 C TYR A 20 10.814 2.103 -4.018 1.00 0.00 C ATOM 336 O TYR A 20 10.870 1.017 -3.442 1.00 0.00 O ATOM 337 CB TYR A 20 8.378 2.412 -4.492 1.00 0.00 C ATOM 338 CG TYR A 20 8.067 3.713 -3.783 1.00 0.00 C ATOM 339 CD1 TYR A 20 8.843 4.151 -2.717 1.00 0.00 C ATOM 340 CD2 TYR A 20 6.993 4.501 -4.179 1.00 0.00 C ATOM 341 CE1 TYR A 20 8.559 5.338 -2.067 1.00 0.00 C ATOM 342 CE2 TYR A 20 6.702 5.688 -3.534 1.00 0.00 C ATOM 343 CZ TYR A 20 7.488 6.103 -2.479 1.00 0.00 C ATOM 344 OH TYR A 20 7.200 7.284 -1.835 1.00 0.00 O ATOM 0 H TYR A 20 9.166 0.570 -6.013 1.00 0.00 H new ATOM 0 HA TYR A 20 10.003 3.318 -5.574 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.640 2.253 -5.279 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.272 1.590 -3.784 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.682 3.554 -2.391 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.375 4.180 -5.005 1.00 0.00 H new ATOM 0 HE1 TYR A 20 9.173 5.664 -1.241 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.863 6.288 -3.854 1.00 0.00 H new ATOM 0 HH TYR A 20 6.416 7.700 -2.250 1.00 0.00 H new ATOM 354 N ASP A 21 11.626 3.115 -3.734 1.00 0.00 N ATOM 355 CA ASP A 21 12.657 3.009 -2.708 1.00 0.00 C ATOM 356 C ASP A 21 12.516 4.133 -1.687 1.00 0.00 C ATOM 357 O ASP A 21 13.149 5.181 -1.810 1.00 0.00 O ATOM 358 CB ASP A 21 14.048 3.051 -3.343 1.00 0.00 C ATOM 359 CG ASP A 21 14.320 1.842 -4.219 1.00 0.00 C ATOM 360 OD1 ASP A 21 13.939 1.874 -5.407 1.00 0.00 O ATOM 361 OD2 ASP A 21 14.913 0.866 -3.714 1.00 0.00 O ATOM 0 H ASP A 21 11.590 4.021 -4.201 1.00 0.00 H new ATOM 0 HA ASP A 21 12.532 2.055 -2.196 1.00 0.00 H new ATOM 0 HB2 ASP A 21 14.145 3.958 -3.940 1.00 0.00 H new ATOM 0 HB3 ASP A 21 14.802 3.104 -2.557 1.00 0.00 H new ATOM 366 N ALA A 22 11.677 3.907 -0.681 1.00 0.00 N ATOM 367 CA ALA A 22 11.445 4.899 0.362 1.00 0.00 C ATOM 368 C ALA A 22 12.680 5.081 1.237 1.00 0.00 C ATOM 369 O ALA A 22 13.589 4.250 1.228 1.00 0.00 O ATOM 370 CB ALA A 22 10.249 4.498 1.212 1.00 0.00 C ATOM 0 H ALA A 22 11.146 3.044 -0.566 1.00 0.00 H new ATOM 0 HA ALA A 22 11.233 5.853 -0.121 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.086 5.247 1.987 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.362 4.429 0.582 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.441 3.531 1.676 1.00 0.00 H new ATOM 376 N ARG A 23 12.707 6.175 1.992 1.00 0.00 N ATOM 377 CA ARG A 23 13.830 6.468 2.875 1.00 0.00 C ATOM 378 C ARG A 23 13.339 7.021 4.210 1.00 0.00 C ATOM 379 O ARG A 23 14.028 7.811 4.857 1.00 0.00 O ATOM 380 CB ARG A 23 14.779 7.467 2.211 1.00 0.00 C ATOM 381 CG ARG A 23 15.652 6.853 1.129 1.00 0.00 C ATOM 382 CD ARG A 23 16.014 7.871 0.059 1.00 0.00 C ATOM 383 NE ARG A 23 17.139 7.426 -0.761 1.00 0.00 N ATOM 384 CZ ARG A 23 18.406 7.443 -0.354 1.00 0.00 C ATOM 385 NH1 ARG A 23 18.715 7.879 0.862 1.00 0.00 N ATOM 386 NH2 ARG A 23 19.368 7.022 -1.163 1.00 0.00 N ATOM 0 H ARG A 23 11.964 6.873 2.010 1.00 0.00 H new ATOM 0 HA ARG A 23 14.368 5.539 3.063 1.00 0.00 H new ATOM 0 HB2 ARG A 23 14.194 8.277 1.777 1.00 0.00 H new ATOM 0 HB3 ARG A 23 15.419 7.909 2.974 1.00 0.00 H new ATOM 0 HG2 ARG A 23 16.563 6.455 1.577 1.00 0.00 H new ATOM 0 HG3 ARG A 23 15.129 6.013 0.671 1.00 0.00 H new ATOM 0 HD2 ARG A 23 15.149 8.050 -0.579 1.00 0.00 H new ATOM 0 HD3 ARG A 23 16.263 8.821 0.532 1.00 0.00 H new ATOM 0 HE ARG A 23 16.941 7.082 -1.701 1.00 0.00 H new ATOM 0 HH11 ARG A 23 17.979 8.203 1.490 1.00 0.00 H new ATOM 0 HH12 ARG A 23 19.688 7.890 1.168 1.00 0.00 H new ATOM 0 HH21 ARG A 23 19.137 6.685 -2.098 1.00 0.00 H new ATOM 0 HH22 ARG A 23 20.339 7.035 -0.851 1.00 0.00 H new ATOM 400 N GLY A 24 12.146 6.599 4.616 1.00 0.00 N ATOM 401 CA GLY A 24 11.584 7.063 5.871 1.00 0.00 C ATOM 402 C GLY A 24 10.441 6.189 6.351 1.00 0.00 C ATOM 403 O GLY A 24 9.984 5.302 5.631 1.00 0.00 O ATOM 0 H GLY A 24 11.559 5.945 4.099 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.366 7.084 6.630 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.229 8.087 5.751 1.00 0.00 H new ATOM 407 N ALA A 25 9.979 6.440 7.571 1.00 0.00 N ATOM 408 CA ALA A 25 8.884 5.671 8.148 1.00 0.00 C ATOM 409 C ALA A 25 7.555 6.019 7.483 1.00 0.00 C ATOM 410 O ALA A 25 6.659 5.180 7.388 1.00 0.00 O ATOM 411 CB ALA A 25 8.804 5.909 9.647 1.00 0.00 C ATOM 0 H ALA A 25 10.347 7.171 8.180 1.00 0.00 H new ATOM 0 HA ALA A 25 9.083 4.614 7.969 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.981 5.328 10.064 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.739 5.601 10.115 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.634 6.968 9.839 1.00 0.00 H new ATOM 417 N ASP A 26 7.433 7.262 7.029 1.00 0.00 N ATOM 418 CA ASP A 26 6.213 7.721 6.375 1.00 0.00 C ATOM 419 C ASP A 26 5.998 6.997 5.050 1.00 0.00 C ATOM 420 O ASP A 26 4.862 6.760 4.638 1.00 0.00 O ATOM 421 CB ASP A 26 6.272 9.232 6.143 1.00 0.00 C ATOM 422 CG ASP A 26 5.494 10.008 7.189 1.00 0.00 C ATOM 423 OD1 ASP A 26 4.329 9.644 7.453 1.00 0.00 O ATOM 424 OD2 ASP A 26 6.050 10.979 7.743 1.00 0.00 O ATOM 0 H ASP A 26 8.164 7.970 7.102 1.00 0.00 H new ATOM 0 HA ASP A 26 5.372 7.494 7.030 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.312 9.558 6.152 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.874 9.461 5.154 1.00 0.00 H new ATOM 429 N GLU A 27 7.096 6.646 4.385 1.00 0.00 N ATOM 430 CA GLU A 27 7.024 5.948 3.107 1.00 0.00 C ATOM 431 C GLU A 27 7.357 4.469 3.276 1.00 0.00 C ATOM 432 O GLU A 27 7.609 4.002 4.387 1.00 0.00 O ATOM 433 CB GLU A 27 7.980 6.588 2.100 1.00 0.00 C ATOM 434 CG GLU A 27 7.440 7.865 1.479 1.00 0.00 C ATOM 435 CD GLU A 27 7.307 8.992 2.485 1.00 0.00 C ATOM 436 OE1 GLU A 27 8.090 9.016 3.457 1.00 0.00 O ATOM 437 OE2 GLU A 27 6.417 9.849 2.302 1.00 0.00 O ATOM 0 H GLU A 27 8.044 6.834 4.711 1.00 0.00 H new ATOM 0 HA GLU A 27 6.004 6.030 2.732 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.925 6.806 2.597 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.194 5.871 1.308 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.101 8.180 0.672 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.466 7.664 1.033 1.00 0.00 H new ATOM 444 N LEU A 28 7.355 3.736 2.167 1.00 0.00 N ATOM 445 CA LEU A 28 7.655 2.309 2.195 1.00 0.00 C ATOM 446 C LEU A 28 8.317 1.862 0.896 1.00 0.00 C ATOM 447 O LEU A 28 7.830 2.155 -0.195 1.00 0.00 O ATOM 448 CB LEU A 28 6.377 1.502 2.434 1.00 0.00 C ATOM 449 CG LEU A 28 6.501 0.386 3.475 1.00 0.00 C ATOM 450 CD1 LEU A 28 5.132 -0.182 3.816 1.00 0.00 C ATOM 451 CD2 LEU A 28 7.425 -0.713 2.970 1.00 0.00 C ATOM 0 H LEU A 28 7.149 4.106 1.239 1.00 0.00 H new ATOM 0 HA LEU A 28 8.351 2.128 3.014 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.588 2.185 2.748 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.061 1.062 1.488 1.00 0.00 H new ATOM 0 HG LEU A 28 6.932 0.809 4.383 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.241 -0.974 4.557 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.500 0.609 4.220 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.672 -0.589 2.915 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.502 -1.498 3.722 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.022 -1.132 2.048 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.414 -0.297 2.778 1.00 0.00 H new ATOM 463 N SER A 29 9.429 1.145 1.021 1.00 0.00 N ATOM 464 CA SER A 29 10.156 0.650 -0.141 1.00 0.00 C ATOM 465 C SER A 29 9.472 -0.584 -0.719 1.00 0.00 C ATOM 466 O SER A 29 9.416 -1.633 -0.076 1.00 0.00 O ATOM 467 CB SER A 29 11.602 0.318 0.235 1.00 0.00 C ATOM 468 OG SER A 29 11.662 -0.815 1.082 1.00 0.00 O ATOM 0 H SER A 29 9.846 0.894 1.917 1.00 0.00 H new ATOM 0 HA SER A 29 10.159 1.434 -0.899 1.00 0.00 H new ATOM 0 HB2 SER A 29 12.182 0.131 -0.669 1.00 0.00 H new ATOM 0 HB3 SER A 29 12.057 1.174 0.734 1.00 0.00 H new ATOM 0 HG SER A 29 12.081 -1.560 0.602 1.00 0.00 H new ATOM 474 N LEU A 30 8.948 -0.451 -1.933 1.00 0.00 N ATOM 475 CA LEU A 30 8.263 -1.556 -2.595 1.00 0.00 C ATOM 476 C LEU A 30 8.963 -1.933 -3.897 1.00 0.00 C ATOM 477 O LEU A 30 9.459 -1.069 -4.623 1.00 0.00 O ATOM 478 CB LEU A 30 6.803 -1.186 -2.869 1.00 0.00 C ATOM 479 CG LEU A 30 5.796 -1.737 -1.859 1.00 0.00 C ATOM 480 CD1 LEU A 30 4.428 -1.111 -2.073 1.00 0.00 C ATOM 481 CD2 LEU A 30 5.714 -3.253 -1.965 1.00 0.00 C ATOM 0 H LEU A 30 8.984 0.410 -2.478 1.00 0.00 H new ATOM 0 HA LEU A 30 8.292 -2.420 -1.930 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.717 -0.100 -2.889 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.533 -1.546 -3.862 1.00 0.00 H new ATOM 0 HG LEU A 30 6.136 -1.479 -0.856 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.725 -1.516 -1.345 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.499 -0.031 -1.948 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.078 -1.337 -3.080 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.993 -3.630 -1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.397 -3.531 -2.970 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.694 -3.685 -1.761 1.00 0.00 H new ATOM 493 N GLN A 31 8.995 -3.230 -4.185 1.00 0.00 N ATOM 494 CA GLN A 31 9.631 -3.729 -5.397 1.00 0.00 C ATOM 495 C GLN A 31 8.697 -4.669 -6.153 1.00 0.00 C ATOM 496 O GLN A 31 7.724 -5.172 -5.591 1.00 0.00 O ATOM 497 CB GLN A 31 10.933 -4.456 -5.053 1.00 0.00 C ATOM 498 CG GLN A 31 11.850 -3.661 -4.137 1.00 0.00 C ATOM 499 CD GLN A 31 13.036 -3.066 -4.873 1.00 0.00 C ATOM 500 OE1 GLN A 31 13.275 -1.861 -4.815 1.00 0.00 O ATOM 501 NE2 GLN A 31 13.784 -3.914 -5.570 1.00 0.00 N ATOM 0 H GLN A 31 8.587 -3.955 -3.594 1.00 0.00 H new ATOM 0 HA GLN A 31 9.857 -2.876 -6.037 1.00 0.00 H new ATOM 0 HB2 GLN A 31 10.694 -5.407 -4.577 1.00 0.00 H new ATOM 0 HB3 GLN A 31 11.466 -4.686 -5.976 1.00 0.00 H new ATOM 0 HG2 GLN A 31 11.281 -2.860 -3.665 1.00 0.00 H new ATOM 0 HG3 GLN A 31 12.211 -4.309 -3.338 1.00 0.00 H new ATOM 0 HE21 GLN A 31 13.547 -4.906 -5.589 1.00 0.00 H new ATOM 0 HE22 GLN A 31 14.595 -3.573 -6.086 1.00 0.00 H new ATOM 510 N ILE A 32 8.996 -4.898 -7.426 1.00 0.00 N ATOM 511 CA ILE A 32 8.179 -5.775 -8.255 1.00 0.00 C ATOM 512 C ILE A 32 8.299 -7.227 -7.806 1.00 0.00 C ATOM 513 O ILE A 32 9.398 -7.728 -7.568 1.00 0.00 O ATOM 514 CB ILE A 32 8.568 -5.665 -9.743 1.00 0.00 C ATOM 515 CG1 ILE A 32 8.530 -4.202 -10.189 1.00 0.00 C ATOM 516 CG2 ILE A 32 7.640 -6.511 -10.605 1.00 0.00 C ATOM 517 CD1 ILE A 32 9.474 -3.888 -11.330 1.00 0.00 C ATOM 0 H ILE A 32 9.798 -4.489 -7.906 1.00 0.00 H new ATOM 0 HA ILE A 32 7.145 -5.451 -8.137 1.00 0.00 H new ATOM 0 HB ILE A 32 9.583 -6.042 -9.866 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.513 -3.950 -10.491 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.777 -3.566 -9.339 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.931 -6.420 -11.651 1.00 0.00 H new ATOM 0 HG22 ILE A 32 7.710 -7.555 -10.299 1.00 0.00 H new ATOM 0 HG23 ILE A 32 6.614 -6.165 -10.483 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.391 -2.833 -11.591 1.00 0.00 H new ATOM 0 HD12 ILE A 32 10.498 -4.107 -11.026 1.00 0.00 H new ATOM 0 HD13 ILE A 32 9.214 -4.497 -12.196 1.00 0.00 H new ATOM 529 N GLY A 33 7.156 -7.896 -7.689 1.00 0.00 N ATOM 530 CA GLY A 33 7.148 -9.284 -7.265 1.00 0.00 C ATOM 531 C GLY A 33 6.842 -9.444 -5.785 1.00 0.00 C ATOM 532 O GLY A 33 6.695 -10.565 -5.297 1.00 0.00 O ATOM 0 H GLY A 33 6.235 -7.501 -7.880 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.407 -9.833 -7.846 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.118 -9.731 -7.482 1.00 0.00 H new ATOM 536 N ASP A 34 6.747 -8.326 -5.069 1.00 0.00 N ATOM 537 CA ASP A 34 6.459 -8.356 -3.640 1.00 0.00 C ATOM 538 C ASP A 34 4.968 -8.176 -3.376 1.00 0.00 C ATOM 539 O ASP A 34 4.279 -7.465 -4.107 1.00 0.00 O ATOM 540 CB ASP A 34 7.248 -7.262 -2.919 1.00 0.00 C ATOM 541 CG ASP A 34 8.713 -7.617 -2.757 1.00 0.00 C ATOM 542 OD1 ASP A 34 9.006 -8.675 -2.162 1.00 0.00 O ATOM 543 OD2 ASP A 34 9.568 -6.836 -3.226 1.00 0.00 O ATOM 0 H ASP A 34 6.865 -7.390 -5.456 1.00 0.00 H new ATOM 0 HA ASP A 34 6.761 -9.331 -3.257 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.163 -6.329 -3.476 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.808 -7.088 -1.937 1.00 0.00 H new ATOM 548 N THR A 35 4.480 -8.818 -2.320 1.00 0.00 N ATOM 549 CA THR A 35 3.071 -8.724 -1.952 1.00 0.00 C ATOM 550 C THR A 35 2.874 -7.691 -0.847 1.00 0.00 C ATOM 551 O THR A 35 3.698 -7.573 0.059 1.00 0.00 O ATOM 552 CB THR A 35 2.547 -10.086 -1.494 1.00 0.00 C ATOM 553 OG1 THR A 35 2.847 -11.086 -2.451 1.00 0.00 O ATOM 554 CG2 THR A 35 1.053 -10.104 -1.264 1.00 0.00 C ATOM 0 H THR A 35 5.038 -9.409 -1.704 1.00 0.00 H new ATOM 0 HA THR A 35 2.509 -8.408 -2.831 1.00 0.00 H new ATOM 0 HB THR A 35 3.047 -10.285 -0.546 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.505 -11.950 -2.139 1.00 0.00 H new ATOM 0 HG21 THR A 35 0.747 -11.099 -0.941 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.795 -9.377 -0.494 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.539 -9.849 -2.191 1.00 0.00 H new ATOM 562 N VAL A 36 1.780 -6.942 -0.930 1.00 0.00 N ATOM 563 CA VAL A 36 1.483 -5.916 0.062 1.00 0.00 C ATOM 564 C VAL A 36 0.072 -6.072 0.619 1.00 0.00 C ATOM 565 O VAL A 36 -0.858 -6.427 -0.105 1.00 0.00 O ATOM 566 CB VAL A 36 1.631 -4.502 -0.532 1.00 0.00 C ATOM 567 CG1 VAL A 36 3.070 -4.248 -0.954 1.00 0.00 C ATOM 568 CG2 VAL A 36 0.682 -4.313 -1.707 1.00 0.00 C ATOM 0 H VAL A 36 1.086 -7.026 -1.672 1.00 0.00 H new ATOM 0 HA VAL A 36 2.204 -6.045 0.870 1.00 0.00 H new ATOM 0 HB VAL A 36 1.368 -3.776 0.237 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.155 -3.245 -1.371 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.725 -4.337 -0.087 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.363 -4.980 -1.707 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.801 -3.308 -2.113 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.910 -5.046 -2.480 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.346 -4.449 -1.370 1.00 0.00 H new ATOM 578 N HIS A 37 -0.081 -5.792 1.910 1.00 0.00 N ATOM 579 CA HIS A 37 -1.379 -5.891 2.565 1.00 0.00 C ATOM 580 C HIS A 37 -1.985 -4.504 2.752 1.00 0.00 C ATOM 581 O HIS A 37 -1.517 -3.717 3.576 1.00 0.00 O ATOM 582 CB HIS A 37 -1.244 -6.591 3.917 1.00 0.00 C ATOM 583 CG HIS A 37 -2.549 -6.776 4.628 1.00 0.00 C ATOM 584 ND1 HIS A 37 -3.306 -5.724 5.097 1.00 0.00 N ATOM 585 CD2 HIS A 37 -3.232 -7.900 4.948 1.00 0.00 C ATOM 586 CE1 HIS A 37 -4.397 -6.192 5.675 1.00 0.00 C ATOM 587 NE2 HIS A 37 -4.377 -7.509 5.598 1.00 0.00 N ATOM 0 H HIS A 37 0.679 -5.495 2.522 1.00 0.00 H new ATOM 0 HA HIS A 37 -2.040 -6.482 1.931 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -0.780 -7.566 3.768 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -0.573 -6.012 4.551 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -2.932 -8.915 4.732 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -5.174 -5.598 6.133 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -5.095 -8.135 5.962 1.00 0.00 H new ATOM 596 N ILE A 38 -3.022 -4.208 1.976 1.00 0.00 N ATOM 597 CA ILE A 38 -3.684 -2.912 2.050 1.00 0.00 C ATOM 598 C ILE A 38 -4.394 -2.728 3.388 1.00 0.00 C ATOM 599 O ILE A 38 -5.357 -3.428 3.699 1.00 0.00 O ATOM 600 CB ILE A 38 -4.697 -2.738 0.898 1.00 0.00 C ATOM 601 CG1 ILE A 38 -3.988 -2.873 -0.450 1.00 0.00 C ATOM 602 CG2 ILE A 38 -5.399 -1.391 1.000 1.00 0.00 C ATOM 603 CD1 ILE A 38 -4.737 -3.730 -1.447 1.00 0.00 C ATOM 0 H ILE A 38 -3.422 -4.848 1.289 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.910 -2.150 1.957 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.451 -3.521 0.976 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.842 -1.880 -0.875 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.998 -3.299 -0.289 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -6.109 -1.288 0.179 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -5.931 -1.329 1.950 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -4.661 -0.591 0.944 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.174 -3.780 -2.379 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.860 -4.735 -1.043 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.717 -3.293 -1.638 1.00 0.00 H new ATOM 615 N LEU A 39 -3.905 -1.772 4.174 1.00 0.00 N ATOM 616 CA LEU A 39 -4.480 -1.475 5.481 1.00 0.00 C ATOM 617 C LEU A 39 -5.484 -0.329 5.377 1.00 0.00 C ATOM 618 O LEU A 39 -6.603 -0.424 5.880 1.00 0.00 O ATOM 619 CB LEU A 39 -3.367 -1.113 6.467 1.00 0.00 C ATOM 620 CG LEU A 39 -3.794 -1.043 7.936 1.00 0.00 C ATOM 621 CD1 LEU A 39 -2.721 -1.639 8.835 1.00 0.00 C ATOM 622 CD2 LEU A 39 -4.094 0.396 8.337 1.00 0.00 C ATOM 0 H LEU A 39 -3.107 -1.187 3.925 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.004 -2.360 5.842 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.567 -1.847 6.372 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.949 -0.148 6.180 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.705 -1.630 8.058 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.043 -1.580 9.875 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.558 -2.682 8.564 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.792 -1.083 8.711 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.396 0.427 9.384 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.201 1.006 8.199 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.900 0.786 7.716 1.00 0.00 H new ATOM 634 N GLU A 40 -5.073 0.746 4.711 1.00 0.00 N ATOM 635 CA GLU A 40 -5.930 1.913 4.523 1.00 0.00 C ATOM 636 C GLU A 40 -5.898 2.352 3.064 1.00 0.00 C ATOM 637 O GLU A 40 -4.938 2.070 2.355 1.00 0.00 O ATOM 638 CB GLU A 40 -5.476 3.058 5.427 1.00 0.00 C ATOM 639 CG GLU A 40 -5.727 2.800 6.904 1.00 0.00 C ATOM 640 CD GLU A 40 -7.051 3.363 7.380 1.00 0.00 C ATOM 641 OE1 GLU A 40 -7.092 4.555 7.745 1.00 0.00 O ATOM 642 OE2 GLU A 40 -8.048 2.609 7.391 1.00 0.00 O ATOM 0 H GLU A 40 -4.148 0.833 4.291 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.952 1.644 4.791 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.411 3.232 5.272 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.994 3.971 5.132 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.706 1.726 7.090 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.919 3.240 7.488 1.00 0.00 H new ATOM 649 N THR A 41 -6.949 3.034 2.616 1.00 0.00 N ATOM 650 CA THR A 41 -7.021 3.490 1.229 1.00 0.00 C ATOM 651 C THR A 41 -7.859 4.758 1.096 1.00 0.00 C ATOM 652 O THR A 41 -8.508 5.192 2.048 1.00 0.00 O ATOM 653 CB THR A 41 -7.605 2.388 0.343 1.00 0.00 C ATOM 654 OG1 THR A 41 -7.555 2.758 -1.022 1.00 0.00 O ATOM 655 CG2 THR A 41 -9.045 2.055 0.672 1.00 0.00 C ATOM 0 H THR A 41 -7.757 3.282 3.187 1.00 0.00 H new ATOM 0 HA THR A 41 -6.007 3.721 0.904 1.00 0.00 H new ATOM 0 HB THR A 41 -6.989 1.510 0.537 1.00 0.00 H new ATOM 0 HG1 THR A 41 -6.620 2.826 -1.309 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.397 1.266 0.007 1.00 0.00 H new ATOM 0 HG22 THR A 41 -9.113 1.715 1.705 1.00 0.00 H new ATOM 0 HG23 THR A 41 -9.663 2.943 0.541 1.00 0.00 H new ATOM 663 N TYR A 42 -7.840 5.344 -0.100 1.00 0.00 N ATOM 664 CA TYR A 42 -8.596 6.560 -0.375 1.00 0.00 C ATOM 665 C TYR A 42 -8.596 6.869 -1.870 1.00 0.00 C ATOM 666 O TYR A 42 -9.636 6.813 -2.526 1.00 0.00 O ATOM 667 CB TYR A 42 -8.006 7.741 0.397 1.00 0.00 C ATOM 668 CG TYR A 42 -8.904 8.957 0.422 1.00 0.00 C ATOM 669 CD1 TYR A 42 -9.060 9.753 -0.707 1.00 0.00 C ATOM 670 CD2 TYR A 42 -9.596 9.310 1.574 1.00 0.00 C ATOM 671 CE1 TYR A 42 -9.879 10.866 -0.688 1.00 0.00 C ATOM 672 CE2 TYR A 42 -10.418 10.420 1.600 1.00 0.00 C ATOM 673 CZ TYR A 42 -10.556 11.195 0.468 1.00 0.00 C ATOM 674 OH TYR A 42 -11.373 12.302 0.490 1.00 0.00 O ATOM 0 H TYR A 42 -7.307 4.993 -0.895 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.624 6.400 -0.050 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -7.802 7.429 1.421 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -7.050 8.015 -0.049 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -8.532 9.497 -1.614 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -9.490 8.707 2.464 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -9.988 11.475 -1.573 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -10.950 10.680 2.503 1.00 0.00 H new ATOM 0 HH TYR A 42 -11.777 12.393 1.378 1.00 0.00 H new ATOM 684 N GLU A 43 -7.421 7.192 -2.402 1.00 0.00 N ATOM 685 CA GLU A 43 -7.280 7.508 -3.819 1.00 0.00 C ATOM 686 C GLU A 43 -5.818 7.768 -4.170 1.00 0.00 C ATOM 687 O GLU A 43 -5.290 8.850 -3.912 1.00 0.00 O ATOM 688 CB GLU A 43 -8.130 8.727 -4.181 1.00 0.00 C ATOM 689 CG GLU A 43 -8.040 9.116 -5.649 1.00 0.00 C ATOM 690 CD GLU A 43 -7.931 10.616 -5.850 1.00 0.00 C ATOM 691 OE1 GLU A 43 -6.843 11.171 -5.594 1.00 0.00 O ATOM 692 OE2 GLU A 43 -8.935 11.234 -6.263 1.00 0.00 O ATOM 0 H GLU A 43 -6.551 7.242 -1.872 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.629 6.651 -4.395 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.171 8.521 -3.931 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.817 9.573 -3.569 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.174 8.629 -6.097 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.921 8.746 -6.174 1.00 0.00 H new ATOM 699 N GLY A 44 -5.168 6.767 -4.754 1.00 0.00 N ATOM 700 CA GLY A 44 -3.772 6.907 -5.124 1.00 0.00 C ATOM 701 C GLY A 44 -2.880 7.137 -3.920 1.00 0.00 C ATOM 702 O GLY A 44 -1.861 7.821 -4.011 1.00 0.00 O ATOM 0 H GLY A 44 -5.582 5.862 -4.977 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -3.446 6.010 -5.650 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -3.664 7.740 -5.818 1.00 0.00 H new ATOM 706 N TRP A 45 -3.271 6.564 -2.787 1.00 0.00 N ATOM 707 CA TRP A 45 -2.512 6.706 -1.551 1.00 0.00 C ATOM 708 C TRP A 45 -3.080 5.790 -0.472 1.00 0.00 C ATOM 709 O TRP A 45 -3.957 6.190 0.294 1.00 0.00 O ATOM 710 CB TRP A 45 -2.553 8.161 -1.078 1.00 0.00 C ATOM 711 CG TRP A 45 -1.307 8.653 -0.388 1.00 0.00 C ATOM 712 CD1 TRP A 45 -1.213 9.785 0.372 1.00 0.00 C ATOM 713 CD2 TRP A 45 0.011 8.065 -0.386 1.00 0.00 C ATOM 714 NE1 TRP A 45 0.066 9.942 0.840 1.00 0.00 N ATOM 715 CE2 TRP A 45 0.836 8.904 0.392 1.00 0.00 C ATOM 716 CE3 TRP A 45 0.579 6.919 -0.959 1.00 0.00 C ATOM 717 CZ2 TRP A 45 2.186 8.636 0.606 1.00 0.00 C ATOM 718 CZ3 TRP A 45 1.919 6.658 -0.743 1.00 0.00 C ATOM 719 CH2 TRP A 45 2.709 7.512 0.033 1.00 0.00 C ATOM 0 H TRP A 45 -4.113 5.995 -2.700 1.00 0.00 H new ATOM 0 HA TRP A 45 -1.477 6.422 -1.741 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -2.747 8.800 -1.940 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -3.396 8.280 -0.397 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -2.031 10.460 0.575 1.00 0.00 H new ATOM 0 HE1 TRP A 45 0.391 10.710 1.428 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -0.021 6.251 -1.559 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 2.798 9.294 1.204 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 2.365 5.778 -1.182 1.00 0.00 H new ATOM 0 HH2 TRP A 45 3.753 7.278 0.182 1.00 0.00 H new ATOM 730 N TYR A 46 -2.588 4.556 -0.425 1.00 0.00 N ATOM 731 CA TYR A 46 -3.062 3.584 0.556 1.00 0.00 C ATOM 732 C TYR A 46 -1.926 3.118 1.460 1.00 0.00 C ATOM 733 O TYR A 46 -0.776 3.021 1.032 1.00 0.00 O ATOM 734 CB TYR A 46 -3.693 2.375 -0.148 1.00 0.00 C ATOM 735 CG TYR A 46 -4.440 2.714 -1.419 1.00 0.00 C ATOM 736 CD1 TYR A 46 -5.165 3.892 -1.533 1.00 0.00 C ATOM 737 CD2 TYR A 46 -4.424 1.846 -2.504 1.00 0.00 C ATOM 738 CE1 TYR A 46 -5.853 4.196 -2.693 1.00 0.00 C ATOM 739 CE2 TYR A 46 -5.108 2.143 -3.666 1.00 0.00 C ATOM 740 CZ TYR A 46 -5.821 3.318 -3.756 1.00 0.00 C ATOM 741 OH TYR A 46 -6.504 3.618 -4.912 1.00 0.00 O ATOM 0 H TYR A 46 -1.864 4.206 -1.052 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.816 4.074 1.172 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.908 1.656 -0.383 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.379 1.884 0.543 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.192 4.582 -0.703 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.867 0.923 -2.437 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.413 5.117 -2.766 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.084 1.457 -4.500 1.00 0.00 H new ATOM 0 HH TYR A 46 -7.139 4.344 -4.738 1.00 0.00 H new ATOM 751 N ARG A 47 -2.260 2.826 2.714 1.00 0.00 N ATOM 752 CA ARG A 47 -1.272 2.365 3.684 1.00 0.00 C ATOM 753 C ARG A 47 -1.383 0.859 3.885 1.00 0.00 C ATOM 754 O ARG A 47 -2.481 0.309 3.916 1.00 0.00 O ATOM 755 CB ARG A 47 -1.462 3.086 5.020 1.00 0.00 C ATOM 756 CG ARG A 47 -0.474 2.654 6.094 1.00 0.00 C ATOM 757 CD ARG A 47 -1.176 1.970 7.258 1.00 0.00 C ATOM 758 NE ARG A 47 -1.570 2.919 8.296 1.00 0.00 N ATOM 759 CZ ARG A 47 -0.739 3.399 9.217 1.00 0.00 C ATOM 760 NH1 ARG A 47 0.536 3.028 9.230 1.00 0.00 N ATOM 761 NH2 ARG A 47 -1.182 4.255 10.128 1.00 0.00 N ATOM 0 H ARG A 47 -3.208 2.901 3.082 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.279 2.594 3.297 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.365 4.160 4.860 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.476 2.907 5.378 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.261 1.975 5.661 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.072 3.524 6.458 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.059 1.447 6.891 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.515 1.217 7.688 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.540 3.232 8.316 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.883 2.371 8.531 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.168 3.400 9.939 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.160 4.545 10.122 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.545 4.623 10.834 1.00 0.00 H new ATOM 775 N GLY A 48 -0.239 0.196 4.021 1.00 0.00 N ATOM 776 CA GLY A 48 -0.239 -1.241 4.217 1.00 0.00 C ATOM 777 C GLY A 48 1.091 -1.759 4.727 1.00 0.00 C ATOM 778 O GLY A 48 1.932 -0.985 5.189 1.00 0.00 O ATOM 0 H GLY A 48 0.685 0.627 3.999 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.024 -1.508 4.925 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.479 -1.733 3.274 1.00 0.00 H new ATOM 782 N TYR A 49 1.282 -3.071 4.646 1.00 0.00 N ATOM 783 CA TYR A 49 2.517 -3.694 5.105 1.00 0.00 C ATOM 784 C TYR A 49 2.835 -4.939 4.282 1.00 0.00 C ATOM 785 O TYR A 49 1.996 -5.828 4.135 1.00 0.00 O ATOM 786 CB TYR A 49 2.405 -4.061 6.586 1.00 0.00 C ATOM 787 CG TYR A 49 1.175 -4.877 6.915 1.00 0.00 C ATOM 788 CD1 TYR A 49 -0.039 -4.260 7.198 1.00 0.00 C ATOM 789 CD2 TYR A 49 1.227 -6.265 6.943 1.00 0.00 C ATOM 790 CE1 TYR A 49 -1.164 -5.004 7.498 1.00 0.00 C ATOM 791 CE2 TYR A 49 0.106 -7.016 7.243 1.00 0.00 C ATOM 792 CZ TYR A 49 -1.086 -6.381 7.519 1.00 0.00 C ATOM 793 OH TYR A 49 -2.205 -7.124 7.817 1.00 0.00 O ATOM 0 H TYR A 49 0.596 -3.724 4.266 1.00 0.00 H new ATOM 0 HA TYR A 49 3.329 -2.978 4.975 1.00 0.00 H new ATOM 0 HB2 TYR A 49 3.292 -4.621 6.881 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.394 -3.146 7.179 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -0.103 -3.182 7.183 1.00 0.00 H new ATOM 0 HD2 TYR A 49 2.159 -6.766 6.727 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -2.100 -4.510 7.715 1.00 0.00 H new ATOM 0 HE2 TYR A 49 0.164 -8.094 7.261 1.00 0.00 H new ATOM 0 HH TYR A 49 -1.982 -8.078 7.788 1.00 0.00 H new ATOM 803 N THR A 50 4.051 -4.996 3.749 1.00 0.00 N ATOM 804 CA THR A 50 4.477 -6.134 2.941 1.00 0.00 C ATOM 805 C THR A 50 4.526 -7.407 3.780 1.00 0.00 C ATOM 806 O THR A 50 4.491 -7.354 5.009 1.00 0.00 O ATOM 807 CB THR A 50 5.851 -5.862 2.322 1.00 0.00 C ATOM 808 OG1 THR A 50 6.545 -4.870 3.058 1.00 0.00 O ATOM 809 CG2 THR A 50 5.778 -5.401 0.883 1.00 0.00 C ATOM 0 H THR A 50 4.758 -4.269 3.861 1.00 0.00 H new ATOM 0 HA THR A 50 3.749 -6.274 2.142 1.00 0.00 H new ATOM 0 HB THR A 50 6.377 -6.816 2.354 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.140 -4.374 2.458 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.785 -5.226 0.505 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.292 -6.168 0.279 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.204 -4.476 0.826 1.00 0.00 H new ATOM 817 N LEU A 51 4.606 -8.549 3.107 1.00 0.00 N ATOM 818 CA LEU A 51 4.661 -9.835 3.789 1.00 0.00 C ATOM 819 C LEU A 51 6.031 -10.057 4.422 1.00 0.00 C ATOM 820 O LEU A 51 6.147 -10.702 5.464 1.00 0.00 O ATOM 821 CB LEU A 51 4.349 -10.970 2.810 1.00 0.00 C ATOM 822 CG LEU A 51 2.868 -11.145 2.474 1.00 0.00 C ATOM 823 CD1 LEU A 51 2.091 -11.591 3.703 1.00 0.00 C ATOM 824 CD2 LEU A 51 2.292 -9.852 1.918 1.00 0.00 C ATOM 0 H LEU A 51 4.634 -8.610 2.089 1.00 0.00 H new ATOM 0 HA LEU A 51 3.911 -9.830 4.580 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.897 -10.793 1.885 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.724 -11.904 3.229 1.00 0.00 H new ATOM 0 HG LEU A 51 2.777 -11.918 1.711 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.039 -11.710 3.445 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.487 -12.542 4.059 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.189 -10.841 4.488 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.237 -9.995 1.684 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.396 -9.059 2.659 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.830 -9.574 1.012 1.00 0.00 H new ATOM 836 N ARG A 52 7.065 -9.516 3.785 1.00 0.00 N ATOM 837 CA ARG A 52 8.427 -9.653 4.287 1.00 0.00 C ATOM 838 C ARG A 52 8.611 -8.870 5.583 1.00 0.00 C ATOM 839 O ARG A 52 9.100 -9.405 6.578 1.00 0.00 O ATOM 840 CB ARG A 52 9.430 -9.168 3.239 1.00 0.00 C ATOM 841 CG ARG A 52 9.269 -9.842 1.886 1.00 0.00 C ATOM 842 CD ARG A 52 9.835 -8.984 0.766 1.00 0.00 C ATOM 843 NE ARG A 52 10.423 -9.794 -0.300 1.00 0.00 N ATOM 844 CZ ARG A 52 11.600 -10.407 -0.203 1.00 0.00 C ATOM 845 NH1 ARG A 52 12.320 -10.304 0.908 1.00 0.00 N ATOM 846 NH2 ARG A 52 12.060 -11.123 -1.220 1.00 0.00 N ATOM 0 H ARG A 52 6.985 -8.979 2.921 1.00 0.00 H new ATOM 0 HA ARG A 52 8.607 -10.708 4.492 1.00 0.00 H new ATOM 0 HB2 ARG A 52 9.320 -8.091 3.114 1.00 0.00 H new ATOM 0 HB3 ARG A 52 10.441 -9.345 3.606 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.774 -10.808 1.897 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.213 -10.037 1.699 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.043 -8.359 0.352 1.00 0.00 H new ATOM 0 HD3 ARG A 52 10.592 -8.312 1.171 1.00 0.00 H new ATOM 0 HE ARG A 52 9.900 -9.895 -1.170 1.00 0.00 H new ATOM 0 HH11 ARG A 52 11.971 -9.753 1.692 1.00 0.00 H new ATOM 0 HH12 ARG A 52 13.222 -10.776 0.977 1.00 0.00 H new ATOM 0 HH21 ARG A 52 11.512 -11.204 -2.076 1.00 0.00 H new ATOM 0 HH22 ARG A 52 12.962 -11.593 -1.146 1.00 0.00 H new ATOM 860 N LYS A 53 8.217 -7.600 5.562 1.00 0.00 N ATOM 861 CA LYS A 53 8.338 -6.744 6.736 1.00 0.00 C ATOM 862 C LYS A 53 6.972 -6.222 7.172 1.00 0.00 C ATOM 863 O LYS A 53 6.637 -5.060 6.939 1.00 0.00 O ATOM 864 CB LYS A 53 9.276 -5.571 6.444 1.00 0.00 C ATOM 865 CG LYS A 53 8.938 -4.828 5.163 1.00 0.00 C ATOM 866 CD LYS A 53 10.025 -3.831 4.796 1.00 0.00 C ATOM 867 CE LYS A 53 10.255 -3.787 3.294 1.00 0.00 C ATOM 868 NZ LYS A 53 10.709 -2.442 2.842 1.00 0.00 N ATOM 0 H LYS A 53 7.812 -7.142 4.746 1.00 0.00 H new ATOM 0 HA LYS A 53 8.755 -7.340 7.548 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.242 -4.872 7.280 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.299 -5.942 6.380 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.808 -5.542 4.350 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.989 -4.306 5.283 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.746 -2.839 5.152 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.953 -4.101 5.300 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.000 -4.533 3.019 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.332 -4.052 2.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.936 -2.475 1.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.952 -1.747 3.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 11.556 -2.163 3.377 1.00 0.00 H new ATOM 882 N LYS A 54 6.187 -7.090 7.803 1.00 0.00 N ATOM 883 CA LYS A 54 4.858 -6.718 8.271 1.00 0.00 C ATOM 884 C LYS A 54 4.942 -5.694 9.399 1.00 0.00 C ATOM 885 O LYS A 54 4.048 -4.863 9.564 1.00 0.00 O ATOM 886 CB LYS A 54 4.098 -7.957 8.747 1.00 0.00 C ATOM 887 CG LYS A 54 3.797 -8.951 7.637 1.00 0.00 C ATOM 888 CD LYS A 54 3.038 -10.159 8.161 1.00 0.00 C ATOM 889 CE LYS A 54 1.972 -10.616 7.177 1.00 0.00 C ATOM 890 NZ LYS A 54 1.896 -12.100 7.089 1.00 0.00 N ATOM 0 H LYS A 54 6.449 -8.056 8.002 1.00 0.00 H new ATOM 0 HA LYS A 54 4.320 -6.267 7.437 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.681 -8.455 9.521 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.161 -7.644 9.206 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.212 -8.462 6.858 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.730 -9.278 7.177 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.736 -10.975 8.349 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.572 -9.912 9.115 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.003 -10.221 7.482 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.188 -10.205 6.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.158 -12.370 6.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.813 -12.476 6.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.664 -12.492 8.024 1.00 0.00 H new ATOM 904 N SER A 55 6.021 -5.759 10.173 1.00 0.00 N ATOM 905 CA SER A 55 6.221 -4.838 11.285 1.00 0.00 C ATOM 906 C SER A 55 6.243 -3.392 10.800 1.00 0.00 C ATOM 907 O SER A 55 5.430 -2.572 11.225 1.00 0.00 O ATOM 908 CB SER A 55 7.525 -5.163 12.014 1.00 0.00 C ATOM 909 OG SER A 55 7.892 -6.519 11.820 1.00 0.00 O ATOM 0 H SER A 55 6.770 -6.440 10.050 1.00 0.00 H new ATOM 0 HA SER A 55 5.386 -4.956 11.976 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.320 -4.512 11.651 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.410 -4.963 13.079 1.00 0.00 H new ATOM 0 HG SER A 55 8.730 -6.702 12.294 1.00 0.00 H new ATOM 915 N LYS A 56 7.180 -3.086 9.907 1.00 0.00 N ATOM 916 CA LYS A 56 7.307 -1.739 9.364 1.00 0.00 C ATOM 917 C LYS A 56 6.142 -1.412 8.436 1.00 0.00 C ATOM 918 O LYS A 56 6.000 -2.009 7.369 1.00 0.00 O ATOM 919 CB LYS A 56 8.629 -1.594 8.610 1.00 0.00 C ATOM 920 CG LYS A 56 9.100 -0.154 8.477 1.00 0.00 C ATOM 921 CD LYS A 56 9.757 0.341 9.757 1.00 0.00 C ATOM 922 CE LYS A 56 11.073 1.044 9.474 1.00 0.00 C ATOM 923 NZ LYS A 56 11.525 1.863 10.632 1.00 0.00 N ATOM 0 H LYS A 56 7.862 -3.753 9.545 1.00 0.00 H new ATOM 0 HA LYS A 56 7.291 -1.037 10.197 1.00 0.00 H new ATOM 0 HB2 LYS A 56 9.396 -2.172 9.125 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.519 -2.025 7.615 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.807 -0.077 7.651 1.00 0.00 H new ATOM 0 HG3 LYS A 56 8.252 0.486 8.232 1.00 0.00 H new ATOM 0 HD2 LYS A 56 9.082 1.025 10.272 1.00 0.00 H new ATOM 0 HD3 LYS A 56 9.930 -0.501 10.427 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.836 0.303 9.233 1.00 0.00 H new ATOM 0 HE3 LYS A 56 10.962 1.683 8.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 12.426 2.326 10.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 10.809 2.586 10.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 11.656 1.249 11.461 1.00 0.00 H new ATOM 937 N LYS A 57 5.312 -0.460 8.850 1.00 0.00 N ATOM 938 CA LYS A 57 4.158 -0.054 8.054 1.00 0.00 C ATOM 939 C LYS A 57 4.490 1.165 7.199 1.00 0.00 C ATOM 940 O LYS A 57 5.321 1.991 7.574 1.00 0.00 O ATOM 941 CB LYS A 57 2.968 0.254 8.966 1.00 0.00 C ATOM 942 CG LYS A 57 1.998 -0.909 9.112 1.00 0.00 C ATOM 943 CD LYS A 57 1.484 -1.032 10.537 1.00 0.00 C ATOM 944 CE LYS A 57 1.475 -2.479 11.004 1.00 0.00 C ATOM 945 NZ LYS A 57 1.878 -2.606 12.432 1.00 0.00 N ATOM 0 H LYS A 57 5.416 0.044 9.730 1.00 0.00 H new ATOM 0 HA LYS A 57 3.895 -0.878 7.391 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.339 0.533 9.952 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.432 1.117 8.571 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.158 -0.770 8.432 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.493 -1.836 8.822 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.110 -0.438 11.203 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.476 -0.623 10.598 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.477 -2.897 10.870 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.152 -3.065 10.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.859 -3.608 12.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.840 -2.231 12.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.217 -2.068 13.028 1.00 0.00 H new ATOM 959 N GLY A 58 3.834 1.269 6.048 1.00 0.00 N ATOM 960 CA GLY A 58 4.073 2.390 5.158 1.00 0.00 C ATOM 961 C GLY A 58 2.945 2.592 4.164 1.00 0.00 C ATOM 962 O GLY A 58 1.929 1.903 4.221 1.00 0.00 O ATOM 0 H GLY A 58 3.142 0.598 5.716 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.200 3.298 5.748 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.005 2.228 4.617 1.00 0.00 H new ATOM 966 N ILE A 59 3.125 3.542 3.251 1.00 0.00 N ATOM 967 CA ILE A 59 2.112 3.834 2.243 1.00 0.00 C ATOM 968 C ILE A 59 2.684 3.717 0.834 1.00 0.00 C ATOM 969 O ILE A 59 3.889 3.861 0.627 1.00 0.00 O ATOM 970 CB ILE A 59 1.513 5.245 2.428 1.00 0.00 C ATOM 971 CG1 ILE A 59 2.561 6.209 2.997 1.00 0.00 C ATOM 972 CG2 ILE A 59 0.292 5.184 3.336 1.00 0.00 C ATOM 973 CD1 ILE A 59 2.005 7.568 3.362 1.00 0.00 C ATOM 0 H ILE A 59 3.962 4.122 3.189 1.00 0.00 H new ATOM 0 HA ILE A 59 1.321 3.095 2.374 1.00 0.00 H new ATOM 0 HB ILE A 59 1.203 5.619 1.452 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.011 5.761 3.883 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.358 6.337 2.265 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.121 6.185 3.458 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.460 4.533 2.891 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.582 4.790 4.310 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.805 8.194 3.757 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.581 8.038 2.475 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.228 7.452 4.118 1.00 0.00 H new ATOM 985 N PHE A 60 1.809 3.453 -0.133 1.00 0.00 N ATOM 986 CA PHE A 60 2.225 3.313 -1.524 1.00 0.00 C ATOM 987 C PHE A 60 1.119 3.767 -2.475 1.00 0.00 C ATOM 988 O PHE A 60 -0.066 3.680 -2.149 1.00 0.00 O ATOM 989 CB PHE A 60 2.600 1.859 -1.819 1.00 0.00 C ATOM 990 CG PHE A 60 1.521 0.876 -1.462 1.00 0.00 C ATOM 991 CD1 PHE A 60 0.316 0.869 -2.148 1.00 0.00 C ATOM 992 CD2 PHE A 60 1.712 -0.041 -0.442 1.00 0.00 C ATOM 993 CE1 PHE A 60 -0.678 -0.033 -1.822 1.00 0.00 C ATOM 994 CE2 PHE A 60 0.720 -0.947 -0.112 1.00 0.00 C ATOM 995 CZ PHE A 60 -0.475 -0.941 -0.804 1.00 0.00 C ATOM 0 H PHE A 60 0.808 3.332 0.022 1.00 0.00 H new ATOM 0 HA PHE A 60 3.097 3.948 -1.682 1.00 0.00 H new ATOM 0 HB2 PHE A 60 2.834 1.761 -2.879 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.506 1.607 -1.268 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.153 1.577 -2.947 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.645 -0.049 0.102 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.613 -0.027 -2.363 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.880 -1.658 0.685 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.251 -1.647 -0.548 1.00 0.00 H new ATOM 1005 N PRO A 61 1.491 4.259 -3.672 1.00 0.00 N ATOM 1006 CA PRO A 61 0.528 4.725 -4.674 1.00 0.00 C ATOM 1007 C PRO A 61 -0.229 3.574 -5.334 1.00 0.00 C ATOM 1008 O PRO A 61 0.336 2.509 -5.584 1.00 0.00 O ATOM 1009 CB PRO A 61 1.394 5.455 -5.714 1.00 0.00 C ATOM 1010 CG PRO A 61 2.763 5.541 -5.121 1.00 0.00 C ATOM 1011 CD PRO A 61 2.871 4.404 -4.148 1.00 0.00 C ATOM 0 HA PRO A 61 -0.239 5.356 -4.225 1.00 0.00 H new ATOM 0 HB2 PRO A 61 1.411 4.911 -6.659 1.00 0.00 H new ATOM 0 HB3 PRO A 61 0.997 6.448 -5.925 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.527 5.465 -5.894 1.00 0.00 H new ATOM 0 HG3 PRO A 61 2.910 6.498 -4.620 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.233 3.494 -4.626 1.00 0.00 H new ATOM 0 HD3 PRO A 61 3.559 4.631 -3.334 1.00 0.00 H new ATOM 1019 N ALA A 62 -1.508 3.802 -5.614 1.00 0.00 N ATOM 1020 CA ALA A 62 -2.349 2.793 -6.250 1.00 0.00 C ATOM 1021 C ALA A 62 -1.966 2.572 -7.713 1.00 0.00 C ATOM 1022 O ALA A 62 -2.451 1.639 -8.354 1.00 0.00 O ATOM 1023 CB ALA A 62 -3.811 3.201 -6.152 1.00 0.00 C ATOM 0 H ALA A 62 -1.986 4.679 -5.410 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.194 1.852 -5.722 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.433 2.443 -6.629 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.093 3.295 -5.103 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.956 4.158 -6.654 1.00 0.00 H new ATOM 1029 N SER A 63 -1.107 3.438 -8.239 1.00 0.00 N ATOM 1030 CA SER A 63 -0.674 3.346 -9.631 1.00 0.00 C ATOM 1031 C SER A 63 -0.149 1.954 -9.981 1.00 0.00 C ATOM 1032 O SER A 63 -0.127 1.574 -11.153 1.00 0.00 O ATOM 1033 CB SER A 63 0.407 4.392 -9.917 1.00 0.00 C ATOM 1034 OG SER A 63 1.599 4.101 -9.208 1.00 0.00 O ATOM 0 H SER A 63 -0.695 4.214 -7.722 1.00 0.00 H new ATOM 0 HA SER A 63 -1.548 3.537 -10.254 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.615 4.422 -10.987 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.045 5.381 -9.635 1.00 0.00 H new ATOM 0 HG SER A 63 2.274 4.783 -9.409 1.00 0.00 H new ATOM 1040 N TYR A 64 0.284 1.196 -8.976 1.00 0.00 N ATOM 1041 CA TYR A 64 0.813 -0.142 -9.218 1.00 0.00 C ATOM 1042 C TYR A 64 0.350 -1.143 -8.164 1.00 0.00 C ATOM 1043 O TYR A 64 1.129 -1.980 -7.708 1.00 0.00 O ATOM 1044 CB TYR A 64 2.343 -0.103 -9.260 1.00 0.00 C ATOM 1045 CG TYR A 64 2.975 0.426 -7.991 1.00 0.00 C ATOM 1046 CD1 TYR A 64 3.308 -0.429 -6.947 1.00 0.00 C ATOM 1047 CD2 TYR A 64 3.240 1.780 -7.838 1.00 0.00 C ATOM 1048 CE1 TYR A 64 3.889 0.052 -5.788 1.00 0.00 C ATOM 1049 CE2 TYR A 64 3.822 2.268 -6.683 1.00 0.00 C ATOM 1050 CZ TYR A 64 4.142 1.399 -5.662 1.00 0.00 C ATOM 1051 OH TYR A 64 4.720 1.882 -4.510 1.00 0.00 O ATOM 0 H TYR A 64 0.279 1.482 -7.997 1.00 0.00 H new ATOM 0 HA TYR A 64 0.426 -0.475 -10.181 1.00 0.00 H new ATOM 0 HB2 TYR A 64 2.718 -1.109 -9.450 1.00 0.00 H new ATOM 0 HB3 TYR A 64 2.659 0.518 -10.098 1.00 0.00 H new ATOM 0 HD1 TYR A 64 3.110 -1.486 -7.043 1.00 0.00 H new ATOM 0 HD2 TYR A 64 2.987 2.464 -8.635 1.00 0.00 H new ATOM 0 HE1 TYR A 64 4.143 -0.626 -4.986 1.00 0.00 H new ATOM 0 HE2 TYR A 64 4.025 3.324 -6.581 1.00 0.00 H new ATOM 0 HH TYR A 64 5.424 2.524 -4.741 1.00 0.00 H new ATOM 1061 N ILE A 65 -0.920 -1.068 -7.782 1.00 0.00 N ATOM 1062 CA ILE A 65 -1.462 -1.988 -6.786 1.00 0.00 C ATOM 1063 C ILE A 65 -2.590 -2.831 -7.370 1.00 0.00 C ATOM 1064 O ILE A 65 -3.512 -2.309 -7.995 1.00 0.00 O ATOM 1065 CB ILE A 65 -1.983 -1.245 -5.542 1.00 0.00 C ATOM 1066 CG1 ILE A 65 -0.960 -0.212 -5.068 1.00 0.00 C ATOM 1067 CG2 ILE A 65 -2.291 -2.238 -4.433 1.00 0.00 C ATOM 1068 CD1 ILE A 65 0.381 -0.813 -4.707 1.00 0.00 C ATOM 0 H ILE A 65 -1.589 -0.387 -8.142 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.640 -2.638 -6.487 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.901 -0.720 -5.806 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.817 0.532 -5.852 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.360 0.312 -4.200 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.659 -1.703 -3.557 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.051 -2.941 -4.775 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.384 -2.783 -4.171 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.057 -0.023 -4.379 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.251 -1.536 -3.902 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.802 -1.313 -5.579 1.00 0.00 H new ATOM 1080 N HIS A 66 -2.508 -4.142 -7.159 1.00 0.00 N ATOM 1081 CA HIS A 66 -3.520 -5.064 -7.661 1.00 0.00 C ATOM 1082 C HIS A 66 -3.809 -6.158 -6.637 1.00 0.00 C ATOM 1083 O HIS A 66 -2.944 -6.977 -6.329 1.00 0.00 O ATOM 1084 CB HIS A 66 -3.060 -5.689 -8.980 1.00 0.00 C ATOM 1085 CG HIS A 66 -4.183 -6.230 -9.808 1.00 0.00 C ATOM 1086 ND1 HIS A 66 -4.243 -6.088 -11.179 1.00 0.00 N ATOM 1087 CD2 HIS A 66 -5.295 -6.916 -9.454 1.00 0.00 C ATOM 1088 CE1 HIS A 66 -5.343 -6.663 -11.632 1.00 0.00 C ATOM 1089 NE2 HIS A 66 -5.999 -7.174 -10.606 1.00 0.00 N ATOM 0 H HIS A 66 -1.750 -4.589 -6.643 1.00 0.00 H new ATOM 0 HA HIS A 66 -4.438 -4.502 -7.836 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -2.520 -4.940 -9.559 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -2.357 -6.494 -8.766 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -5.577 -7.207 -8.453 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -5.653 -6.708 -12.666 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -6.884 -7.678 -10.660 1.00 0.00 H new ATOM 1098 N LEU A 67 -5.031 -6.164 -6.113 1.00 0.00 N ATOM 1099 CA LEU A 67 -5.434 -7.156 -5.122 1.00 0.00 C ATOM 1100 C LEU A 67 -5.365 -8.566 -5.700 1.00 0.00 C ATOM 1101 O LEU A 67 -5.646 -8.779 -6.879 1.00 0.00 O ATOM 1102 CB LEU A 67 -6.851 -6.864 -4.626 1.00 0.00 C ATOM 1103 CG LEU A 67 -6.948 -5.779 -3.552 1.00 0.00 C ATOM 1104 CD1 LEU A 67 -6.310 -4.487 -4.038 1.00 0.00 C ATOM 1105 CD2 LEU A 67 -8.399 -5.546 -3.161 1.00 0.00 C ATOM 0 H LEU A 67 -5.759 -5.493 -6.358 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.742 -7.095 -4.282 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.464 -6.568 -5.477 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.279 -7.785 -4.230 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.404 -6.118 -2.670 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.389 -3.727 -3.260 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.259 -4.664 -4.267 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.824 -4.142 -4.935 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.450 -4.771 -2.396 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -8.965 -5.229 -4.037 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.823 -6.471 -2.770 1.00 0.00 H new ATOM 1117 N LYS A 68 -4.988 -9.525 -4.861 1.00 0.00 N ATOM 1118 CA LYS A 68 -4.883 -10.916 -5.286 1.00 0.00 C ATOM 1119 C LYS A 68 -5.603 -11.840 -4.309 1.00 0.00 C ATOM 1120 O LYS A 68 -5.996 -11.422 -3.220 1.00 0.00 O ATOM 1121 CB LYS A 68 -3.412 -11.322 -5.406 1.00 0.00 C ATOM 1122 CG LYS A 68 -2.911 -11.382 -6.842 1.00 0.00 C ATOM 1123 CD LYS A 68 -2.372 -12.761 -7.191 1.00 0.00 C ATOM 1124 CE LYS A 68 -1.044 -12.671 -7.927 1.00 0.00 C ATOM 1125 NZ LYS A 68 -0.133 -13.791 -7.567 1.00 0.00 N ATOM 0 H LYS A 68 -4.750 -9.364 -3.882 1.00 0.00 H new ATOM 0 HA LYS A 68 -5.360 -11.011 -6.262 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.801 -10.613 -4.846 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.274 -12.298 -4.941 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.723 -11.126 -7.522 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.128 -10.638 -6.986 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -2.245 -13.344 -6.279 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.097 -13.290 -7.810 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -1.223 -12.680 -9.002 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.563 -11.722 -7.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.761 -13.693 -8.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.059 -13.768 -6.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.581 -14.696 -7.814 1.00 0.00 H new ATOM 1139 N GLU A 69 -5.773 -13.097 -4.706 1.00 0.00 N ATOM 1140 CA GLU A 69 -6.447 -14.080 -3.865 1.00 0.00 C ATOM 1141 C GLU A 69 -5.614 -14.398 -2.627 1.00 0.00 C ATOM 1142 O GLU A 69 -4.733 -15.255 -2.663 1.00 0.00 O ATOM 1143 CB GLU A 69 -6.719 -15.362 -4.656 1.00 0.00 C ATOM 1144 CG GLU A 69 -8.069 -15.989 -4.352 1.00 0.00 C ATOM 1145 CD GLU A 69 -8.118 -17.464 -4.698 1.00 0.00 C ATOM 1146 OE1 GLU A 69 -7.653 -18.282 -3.876 1.00 0.00 O ATOM 1147 OE2 GLU A 69 -8.621 -17.802 -5.789 1.00 0.00 O ATOM 0 H GLU A 69 -5.453 -13.459 -5.604 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.397 -13.654 -3.543 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.662 -15.140 -5.722 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.934 -16.086 -4.439 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.295 -15.860 -3.294 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.844 -15.463 -4.910 1.00 0.00 H new ATOM 1154 N ALA A 70 -5.904 -13.701 -1.533 1.00 0.00 N ATOM 1155 CA ALA A 70 -5.182 -13.907 -0.283 1.00 0.00 C ATOM 1156 C ALA A 70 -5.534 -15.255 0.336 1.00 0.00 C ATOM 1157 O ALA A 70 -6.669 -15.479 0.758 1.00 0.00 O ATOM 1158 CB ALA A 70 -5.485 -12.780 0.692 1.00 0.00 C ATOM 0 H ALA A 70 -6.633 -12.989 -1.487 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.114 -13.905 -0.502 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.940 -12.946 1.621 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.178 -11.829 0.256 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.555 -12.756 0.899 1.00 0.00 H new ATOM 1164 N ILE A 71 -4.554 -16.151 0.390 1.00 0.00 N ATOM 1165 CA ILE A 71 -4.759 -17.477 0.959 1.00 0.00 C ATOM 1166 C ILE A 71 -5.121 -17.389 2.437 1.00 0.00 C ATOM 1167 O ILE A 71 -4.535 -16.606 3.186 1.00 0.00 O ATOM 1168 CB ILE A 71 -3.504 -18.357 0.801 1.00 0.00 C ATOM 1169 CG1 ILE A 71 -2.261 -17.603 1.274 1.00 0.00 C ATOM 1170 CG2 ILE A 71 -3.347 -18.799 -0.646 1.00 0.00 C ATOM 1171 CD1 ILE A 71 -1.301 -18.461 2.070 1.00 0.00 C ATOM 0 H ILE A 71 -3.609 -15.982 0.046 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.584 -17.933 0.411 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.621 -19.246 1.421 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.740 -17.197 0.407 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.571 -16.755 1.885 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.456 -19.420 -0.742 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.223 -19.372 -0.948 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.249 -17.922 -1.286 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.443 -17.861 2.373 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.806 -18.846 2.956 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.962 -19.295 1.455 1.00 0.00 H new ATOM 1183 N VAL A 72 -6.090 -18.198 2.853 1.00 0.00 N ATOM 1184 CA VAL A 72 -6.530 -18.213 4.243 1.00 0.00 C ATOM 1185 C VAL A 72 -6.228 -19.556 4.898 1.00 0.00 C ATOM 1186 O VAL A 72 -7.082 -20.442 4.943 1.00 0.00 O ATOM 1187 CB VAL A 72 -8.040 -17.925 4.358 1.00 0.00 C ATOM 1188 CG1 VAL A 72 -8.447 -17.779 5.817 1.00 0.00 C ATOM 1189 CG2 VAL A 72 -8.410 -16.678 3.568 1.00 0.00 C ATOM 0 H VAL A 72 -6.586 -18.852 2.247 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.979 -17.427 4.759 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.584 -18.770 3.935 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -9.516 -17.576 5.878 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -8.222 -18.702 6.352 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.895 -16.954 6.268 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -9.480 -16.492 3.662 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -7.857 -15.823 3.958 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.158 -16.825 2.518 1.00 0.00 H new ATOM 1199 N GLU A 73 -5.009 -19.701 5.404 1.00 0.00 N ATOM 1200 CA GLU A 73 -4.593 -20.937 6.056 1.00 0.00 C ATOM 1201 C GLU A 73 -4.674 -22.116 5.093 1.00 0.00 C ATOM 1202 O GLU A 73 -5.746 -22.679 4.876 1.00 0.00 O ATOM 1203 CB GLU A 73 -5.464 -21.208 7.285 1.00 0.00 C ATOM 1204 CG GLU A 73 -5.065 -22.459 8.050 1.00 0.00 C ATOM 1205 CD GLU A 73 -5.646 -22.496 9.450 1.00 0.00 C ATOM 1206 OE1 GLU A 73 -5.266 -21.639 10.274 1.00 0.00 O ATOM 1207 OE2 GLU A 73 -6.481 -23.384 9.721 1.00 0.00 O ATOM 0 H GLU A 73 -4.291 -18.977 5.375 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.556 -20.820 6.371 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -5.410 -20.350 7.955 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.503 -21.301 6.970 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.398 -23.339 7.499 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -3.978 -22.513 8.110 1.00 0.00 H new ATOM 1214 N GLY A 74 -3.534 -22.482 4.516 1.00 0.00 N ATOM 1215 CA GLY A 74 -3.498 -23.591 3.580 1.00 0.00 C ATOM 1216 C GLY A 74 -2.409 -24.592 3.911 1.00 0.00 C ATOM 1217 O GLY A 74 -2.689 -25.808 3.881 1.00 0.00 O ATOM 1218 OXT GLY A 74 -1.272 -24.159 4.198 1.00 0.00 O ATOM 0 H GLY A 74 -2.634 -22.030 4.680 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.464 -24.096 3.582 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -3.341 -23.207 2.572 1.00 0.00 H new TER 1222 GLY A 74