USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 397 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 16 CYS SG : rot 45:sc= -0.249 USER MOD Set 1.2: A 34 CYS SG : rot -154:sc= 1.81 USER MOD Set 1.3: A 38 TYR OH : rot 180:sc= 0 USER MOD Set 1.4: A 43 CYS SG : rot -136:sc= 0.601 USER MOD Set 2.1: A 8 CYS SG : rot -172:sc= 0.086 USER MOD Set 2.2: A 15 TYR OH : rot 70:sc= -0.669 USER MOD Set 2.3: A 21 CYS SG : rot 163:sc= 0.244 USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HE2:sc= -2.41! C(o=-2.4!,f=-4!) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -161:sc= 1.21 (180deg=1.12) USER MOD Single : A 14 HIS : no HD1:sc= -0.449 X(o=-0.45,f=-0.92) USER MOD Single : A 18 LYS NZ :NH3+ 163:sc= -3.07! (180deg=-3.31!) USER MOD Single : A 28 GLN : amide:sc= -0.115 X(o=-0.11,f=-0.015) USER MOD Single : A 29 THR OG1 : rot 83:sc= 0.73 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 15:sc= 0.641 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -4.341 16.674 -9.017 1.00 0.00 N ATOM 2 CA ARG A 1 -2.996 16.941 -9.602 1.00 0.00 C ATOM 3 C ARG A 1 -2.567 15.775 -10.496 1.00 0.00 C ATOM 4 O ARG A 1 -3.389 15.053 -11.026 1.00 0.00 O ATOM 5 CB ARG A 1 -2.060 17.068 -8.399 1.00 0.00 C ATOM 6 CG ARG A 1 -1.283 18.383 -8.491 1.00 0.00 C ATOM 7 CD ARG A 1 -0.482 18.595 -7.205 1.00 0.00 C ATOM 8 NE ARG A 1 0.835 19.122 -7.654 1.00 0.00 N ATOM 9 CZ ARG A 1 1.764 19.391 -6.777 1.00 0.00 C ATOM 10 NH1 ARG A 1 1.495 20.155 -5.754 1.00 0.00 N ATOM 11 NH2 ARG A 1 2.962 18.895 -6.924 1.00 0.00 N ATOM 0 H1 ARG A 1 -4.621 17.472 -8.412 1.00 0.00 H new ATOM 0 H2 ARG A 1 -5.036 16.559 -9.782 1.00 0.00 H new ATOM 0 H3 ARG A 1 -4.306 15.804 -8.448 1.00 0.00 H new ATOM 0 HA ARG A 1 -2.986 17.837 -10.223 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -2.635 17.037 -7.473 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -1.368 16.226 -8.373 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -0.612 18.362 -9.350 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -1.971 19.214 -8.644 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -0.983 19.299 -6.540 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -0.367 17.662 -6.654 1.00 0.00 H new ATOM 0 HE ARG A 1 1.012 19.273 -8.647 1.00 0.00 H new ATOM 0 HH11 ARG A 1 0.558 20.542 -5.639 1.00 0.00 H new ATOM 0 HH12 ARG A 1 2.221 20.365 -5.069 1.00 0.00 H new ATOM 0 HH21 ARG A 1 3.172 18.298 -7.724 1.00 0.00 H new ATOM 0 HH22 ARG A 1 3.688 19.105 -6.239 1.00 0.00 H new ATOM 27 N LYS A 2 -1.288 15.583 -10.668 1.00 0.00 N ATOM 28 CA LYS A 2 -0.809 14.463 -11.528 1.00 0.00 C ATOM 29 C LYS A 2 0.259 13.649 -10.793 1.00 0.00 C ATOM 30 O LYS A 2 1.415 13.648 -11.164 1.00 0.00 O ATOM 31 CB LYS A 2 -0.213 15.139 -12.763 1.00 0.00 C ATOM 32 CG LYS A 2 -0.896 14.599 -14.022 1.00 0.00 C ATOM 33 CD LYS A 2 -0.482 15.443 -15.229 1.00 0.00 C ATOM 34 CE LYS A 2 -1.047 16.858 -15.081 1.00 0.00 C ATOM 35 NZ LYS A 2 -1.173 17.369 -16.474 1.00 0.00 N ATOM 0 H LYS A 2 -0.553 16.154 -10.250 1.00 0.00 H new ATOM 0 HA LYS A 2 -1.610 13.771 -11.788 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -0.346 16.219 -12.699 1.00 0.00 H new ATOM 0 HB3 LYS A 2 0.860 14.953 -12.810 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -0.618 13.557 -14.181 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -1.979 14.625 -13.901 1.00 0.00 H new ATOM 0 HD2 LYS A 2 0.605 15.480 -15.305 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -0.850 14.987 -16.148 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -2.013 16.847 -14.576 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -0.384 17.488 -14.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -1.555 18.336 -16.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.237 17.375 -16.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -1.815 16.754 -17.013 1.00 0.00 H new ATOM 49 N GLY A 3 -0.119 12.957 -9.753 1.00 0.00 N ATOM 50 CA GLY A 3 0.876 12.145 -8.996 1.00 0.00 C ATOM 51 C GLY A 3 1.363 12.936 -7.781 1.00 0.00 C ATOM 52 O GLY A 3 2.488 13.392 -7.736 1.00 0.00 O ATOM 0 H GLY A 3 -1.073 12.919 -9.395 1.00 0.00 H new ATOM 0 HA2 GLY A 3 0.426 11.206 -8.675 1.00 0.00 H new ATOM 0 HA3 GLY A 3 1.719 11.891 -9.639 1.00 0.00 H new ATOM 56 N HIS A 4 0.525 13.104 -6.795 1.00 0.00 N ATOM 57 CA HIS A 4 0.943 13.867 -5.583 1.00 0.00 C ATOM 58 C HIS A 4 -0.100 13.711 -4.472 1.00 0.00 C ATOM 59 O HIS A 4 -0.912 14.586 -4.243 1.00 0.00 O ATOM 60 CB HIS A 4 1.027 15.322 -6.042 1.00 0.00 C ATOM 61 CG HIS A 4 2.468 15.748 -6.094 1.00 0.00 C ATOM 62 ND1 HIS A 4 3.199 15.745 -7.272 1.00 0.00 N ATOM 63 CD2 HIS A 4 3.330 16.190 -5.121 1.00 0.00 C ATOM 64 CE1 HIS A 4 4.441 16.172 -6.981 1.00 0.00 C ATOM 65 NE2 HIS A 4 4.575 16.458 -5.683 1.00 0.00 N ATOM 0 H HIS A 4 -0.430 12.747 -6.775 1.00 0.00 H new ATOM 0 HA HIS A 4 1.891 13.512 -5.178 1.00 0.00 H new ATOM 0 HB2 HIS A 4 0.568 15.432 -7.025 1.00 0.00 H new ATOM 0 HB3 HIS A 4 0.471 15.963 -5.358 1.00 0.00 H new ATOM 0 HD1 HIS A 4 2.857 15.469 -8.192 1.00 0.00 H new ATOM 0 HD2 HIS A 4 3.080 16.311 -4.077 1.00 0.00 H new ATOM 0 HE1 HIS A 4 5.233 16.271 -7.708 1.00 0.00 H new ATOM 73 N PHE A 5 -0.086 12.602 -3.784 1.00 0.00 N ATOM 74 CA PHE A 5 -1.074 12.387 -2.688 1.00 0.00 C ATOM 75 C PHE A 5 -0.347 12.125 -1.364 1.00 0.00 C ATOM 76 O PHE A 5 0.640 12.763 -1.053 1.00 0.00 O ATOM 77 CB PHE A 5 -1.880 11.161 -3.122 1.00 0.00 C ATOM 78 CG PHE A 5 -2.467 11.406 -4.491 1.00 0.00 C ATOM 79 CD1 PHE A 5 -3.655 12.134 -4.621 1.00 0.00 C ATOM 80 CD2 PHE A 5 -1.824 10.906 -5.630 1.00 0.00 C ATOM 81 CE1 PHE A 5 -4.200 12.364 -5.889 1.00 0.00 C ATOM 82 CE2 PHE A 5 -2.370 11.136 -6.899 1.00 0.00 C ATOM 83 CZ PHE A 5 -3.558 11.865 -7.028 1.00 0.00 C ATOM 0 H PHE A 5 0.568 11.834 -3.934 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.713 13.255 -2.526 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -1.240 10.279 -3.141 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.675 10.962 -2.404 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.151 12.518 -3.742 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -0.908 10.343 -5.530 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -5.116 12.927 -5.989 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -1.875 10.751 -7.778 1.00 0.00 H new ATOM 0 HZ PHE A 5 -3.979 12.042 -8.007 1.00 0.00 H new ATOM 93 N SER A 6 -0.823 11.195 -0.579 1.00 0.00 N ATOM 94 CA SER A 6 -0.153 10.904 0.722 1.00 0.00 C ATOM 95 C SER A 6 0.151 9.408 0.841 1.00 0.00 C ATOM 96 O SER A 6 -0.736 8.578 0.797 1.00 0.00 O ATOM 97 CB SER A 6 -1.158 11.334 1.789 1.00 0.00 C ATOM 98 OG SER A 6 -1.292 12.749 1.765 1.00 0.00 O ATOM 0 H SER A 6 -1.645 10.626 -0.782 1.00 0.00 H new ATOM 0 HA SER A 6 0.798 11.428 0.822 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.124 10.863 1.606 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.824 11.005 2.773 1.00 0.00 H new ATOM 0 HG SER A 6 -1.938 13.028 2.447 1.00 0.00 H new ATOM 104 N ARG A 7 1.399 9.058 0.997 1.00 0.00 N ATOM 105 CA ARG A 7 1.760 7.617 1.123 1.00 0.00 C ATOM 106 C ARG A 7 1.614 7.162 2.578 1.00 0.00 C ATOM 107 O ARG A 7 2.119 7.790 3.487 1.00 0.00 O ATOM 108 CB ARG A 7 3.222 7.536 0.679 1.00 0.00 C ATOM 109 CG ARG A 7 3.359 6.503 -0.442 1.00 0.00 C ATOM 110 CD ARG A 7 4.660 6.751 -1.209 1.00 0.00 C ATOM 111 NE ARG A 7 4.235 7.010 -2.614 1.00 0.00 N ATOM 112 CZ ARG A 7 5.130 7.241 -3.535 1.00 0.00 C ATOM 113 NH1 ARG A 7 6.218 6.523 -3.582 1.00 0.00 N ATOM 114 NH2 ARG A 7 4.935 8.190 -4.410 1.00 0.00 N ATOM 0 H ARG A 7 2.184 9.708 1.043 1.00 0.00 H new ATOM 0 HA ARG A 7 1.116 6.974 0.523 1.00 0.00 H new ATOM 0 HB2 ARG A 7 3.562 8.512 0.332 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.854 7.259 1.522 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.357 5.496 -0.025 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.507 6.570 -1.119 1.00 0.00 H new ATOM 0 HD2 ARG A 7 5.205 7.601 -0.798 1.00 0.00 H new ATOM 0 HD3 ARG A 7 5.324 5.888 -1.150 1.00 0.00 H new ATOM 0 HE ARG A 7 3.244 7.007 -2.856 1.00 0.00 H new ATOM 0 HH11 ARG A 7 6.369 5.781 -2.899 1.00 0.00 H new ATOM 0 HH12 ARG A 7 6.918 6.704 -4.302 1.00 0.00 H new ATOM 0 HH21 ARG A 7 4.083 8.750 -4.373 1.00 0.00 H new ATOM 0 HH22 ARG A 7 5.634 8.371 -5.130 1.00 0.00 H new ATOM 128 N CYS A 8 0.926 6.077 2.805 1.00 0.00 N ATOM 129 CA CYS A 8 0.748 5.587 4.202 1.00 0.00 C ATOM 130 C CYS A 8 2.028 4.902 4.693 1.00 0.00 C ATOM 131 O CYS A 8 2.595 4.079 4.002 1.00 0.00 O ATOM 132 CB CYS A 8 -0.400 4.580 4.125 1.00 0.00 C ATOM 133 SG CYS A 8 -1.796 5.180 5.108 1.00 0.00 S ATOM 0 H CYS A 8 0.480 5.509 2.085 1.00 0.00 H new ATOM 0 HA CYS A 8 0.535 6.398 4.898 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.705 4.439 3.088 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.071 3.609 4.495 1.00 0.00 H new ATOM 0 HG CYS A 8 -2.704 4.253 5.183 1.00 0.00 H new ATOM 138 N PRO A 9 2.440 5.270 5.877 1.00 0.00 N ATOM 139 CA PRO A 9 3.667 4.685 6.472 1.00 0.00 C ATOM 140 C PRO A 9 3.403 3.247 6.931 1.00 0.00 C ATOM 141 O PRO A 9 2.273 2.845 7.127 1.00 0.00 O ATOM 142 CB PRO A 9 3.954 5.592 7.664 1.00 0.00 C ATOM 143 CG PRO A 9 2.631 6.191 8.026 1.00 0.00 C ATOM 144 CD PRO A 9 1.811 6.256 6.763 1.00 0.00 C ATOM 0 HA PRO A 9 4.501 4.633 5.772 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.372 5.027 8.497 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.679 6.364 7.406 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.128 5.586 8.780 1.00 0.00 H new ATOM 0 HG3 PRO A 9 2.762 7.186 8.451 1.00 0.00 H new ATOM 0 HD2 PRO A 9 0.766 6.012 6.953 1.00 0.00 H new ATOM 0 HD3 PRO A 9 1.830 7.254 6.326 1.00 0.00 H new ATOM 152 N LYS A 10 4.438 2.471 7.104 1.00 0.00 N ATOM 153 CA LYS A 10 4.248 1.062 7.550 1.00 0.00 C ATOM 154 C LYS A 10 3.669 1.028 8.967 1.00 0.00 C ATOM 155 O LYS A 10 2.946 0.122 9.331 1.00 0.00 O ATOM 156 CB LYS A 10 5.647 0.447 7.529 1.00 0.00 C ATOM 157 CG LYS A 10 5.928 -0.139 6.145 1.00 0.00 C ATOM 158 CD LYS A 10 6.493 -1.553 6.293 1.00 0.00 C ATOM 159 CE LYS A 10 6.929 -2.075 4.922 1.00 0.00 C ATOM 160 NZ LYS A 10 5.854 -3.023 4.514 1.00 0.00 N ATOM 0 H LYS A 10 5.407 2.752 6.956 1.00 0.00 H new ATOM 0 HA LYS A 10 3.553 0.518 6.910 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.392 1.204 7.773 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.724 -0.332 8.288 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.011 -0.162 5.556 1.00 0.00 H new ATOM 0 HG3 LYS A 10 6.636 0.492 5.608 1.00 0.00 H new ATOM 0 HD2 LYS A 10 7.341 -1.547 6.978 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.740 -2.214 6.723 1.00 0.00 H new ATOM 0 HE2 LYS A 10 7.032 -1.262 4.204 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.896 -2.575 4.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 6.080 -3.424 3.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.784 -3.790 5.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 4.947 -2.517 4.462 1.00 0.00 H new ATOM 174 N GLN A 11 3.984 2.007 9.770 1.00 0.00 N ATOM 175 CA GLN A 11 3.454 2.029 11.163 1.00 0.00 C ATOM 176 C GLN A 11 1.929 2.160 11.151 1.00 0.00 C ATOM 177 O GLN A 11 1.269 1.921 12.142 1.00 0.00 O ATOM 178 CB GLN A 11 4.093 3.259 11.808 1.00 0.00 C ATOM 179 CG GLN A 11 5.479 2.894 12.343 1.00 0.00 C ATOM 180 CD GLN A 11 5.368 2.495 13.816 1.00 0.00 C ATOM 181 OE1 GLN A 11 4.893 1.422 14.132 1.00 0.00 O ATOM 182 NE2 GLN A 11 5.788 3.319 14.736 1.00 0.00 N ATOM 0 H GLN A 11 4.585 2.793 9.522 1.00 0.00 H new ATOM 0 HA GLN A 11 3.687 1.114 11.707 1.00 0.00 H new ATOM 0 HB2 GLN A 11 4.174 4.065 11.078 1.00 0.00 H new ATOM 0 HB3 GLN A 11 3.464 3.626 12.619 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.900 2.072 11.763 1.00 0.00 H new ATOM 0 HG3 GLN A 11 6.157 3.741 12.235 1.00 0.00 H new ATOM 0 HE21 GLN A 11 6.187 4.220 14.471 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.718 3.063 15.721 1.00 0.00 H new ATOM 191 N TYR A 12 1.363 2.538 10.036 1.00 0.00 N ATOM 192 CA TYR A 12 -0.120 2.685 9.967 1.00 0.00 C ATOM 193 C TYR A 12 -0.707 1.687 8.965 1.00 0.00 C ATOM 194 O TYR A 12 -1.905 1.620 8.772 1.00 0.00 O ATOM 195 CB TYR A 12 -0.355 4.120 9.494 1.00 0.00 C ATOM 196 CG TYR A 12 -1.004 4.913 10.602 1.00 0.00 C ATOM 197 CD1 TYR A 12 -2.372 4.763 10.861 1.00 0.00 C ATOM 198 CD2 TYR A 12 -0.238 5.797 11.372 1.00 0.00 C ATOM 199 CE1 TYR A 12 -2.973 5.498 11.890 1.00 0.00 C ATOM 200 CE2 TYR A 12 -0.840 6.531 12.401 1.00 0.00 C ATOM 201 CZ TYR A 12 -2.209 6.382 12.659 1.00 0.00 C ATOM 202 OH TYR A 12 -2.801 7.106 13.673 1.00 0.00 O ATOM 0 H TYR A 12 1.862 2.751 9.172 1.00 0.00 H new ATOM 0 HA TYR A 12 -0.598 2.488 10.927 1.00 0.00 H new ATOM 0 HB2 TYR A 12 0.591 4.580 9.209 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.991 4.123 8.609 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.963 4.081 10.268 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.817 5.913 11.172 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -4.028 5.382 12.090 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -0.249 7.212 12.996 1.00 0.00 H new ATOM 0 HH TYR A 12 -2.128 7.671 14.108 1.00 0.00 H new ATOM 212 N LYS A 13 0.126 0.912 8.326 1.00 0.00 N ATOM 213 CA LYS A 13 -0.389 -0.081 7.338 1.00 0.00 C ATOM 214 C LYS A 13 -0.737 -1.395 8.042 1.00 0.00 C ATOM 215 O LYS A 13 -0.114 -2.415 7.821 1.00 0.00 O ATOM 216 CB LYS A 13 0.759 -0.292 6.351 1.00 0.00 C ATOM 217 CG LYS A 13 0.491 0.513 5.077 1.00 0.00 C ATOM 218 CD LYS A 13 1.699 1.401 4.771 1.00 0.00 C ATOM 219 CE LYS A 13 2.363 0.932 3.475 1.00 0.00 C ATOM 220 NZ LYS A 13 3.680 1.628 3.444 1.00 0.00 N ATOM 0 H LYS A 13 1.139 0.922 8.444 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.296 0.264 6.841 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.701 0.021 6.800 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.857 -1.351 6.111 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.301 -0.161 4.242 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -0.402 1.126 5.202 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.385 2.440 4.675 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.413 1.358 5.594 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.488 -0.151 3.465 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.759 1.191 2.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.052 1.625 2.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.562 2.610 3.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.348 1.136 4.072 1.00 0.00 H new ATOM 234 N HIS A 14 -1.737 -1.386 8.878 1.00 0.00 N ATOM 235 CA HIS A 14 -2.114 -2.639 9.588 1.00 0.00 C ATOM 236 C HIS A 14 -3.063 -3.450 8.713 1.00 0.00 C ATOM 237 O HIS A 14 -3.243 -4.636 8.900 1.00 0.00 O ATOM 238 CB HIS A 14 -2.819 -2.175 10.862 1.00 0.00 C ATOM 239 CG HIS A 14 -1.810 -1.584 11.808 1.00 0.00 C ATOM 240 ND1 HIS A 14 -1.954 -1.655 13.185 1.00 0.00 N ATOM 241 CD2 HIS A 14 -0.637 -0.905 11.588 1.00 0.00 C ATOM 242 CE1 HIS A 14 -0.893 -1.035 13.736 1.00 0.00 C ATOM 243 NE2 HIS A 14 -0.059 -0.561 12.807 1.00 0.00 N ATOM 0 H HIS A 14 -2.307 -0.570 9.100 1.00 0.00 H new ATOM 0 HA HIS A 14 -1.256 -3.273 9.812 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -3.582 -1.435 10.619 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.328 -3.015 11.335 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -0.225 -0.673 10.617 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -0.736 -0.934 14.800 1.00 0.00 H new ATOM 0 HE2 HIS A 14 0.814 -0.056 12.958 1.00 0.00 H new ATOM 251 N TYR A 15 -3.649 -2.818 7.738 1.00 0.00 N ATOM 252 CA TYR A 15 -4.562 -3.551 6.823 1.00 0.00 C ATOM 253 C TYR A 15 -3.761 -4.101 5.641 1.00 0.00 C ATOM 254 O TYR A 15 -4.304 -4.696 4.732 1.00 0.00 O ATOM 255 CB TYR A 15 -5.587 -2.517 6.350 1.00 0.00 C ATOM 256 CG TYR A 15 -4.876 -1.282 5.847 1.00 0.00 C ATOM 257 CD1 TYR A 15 -4.078 -1.349 4.698 1.00 0.00 C ATOM 258 CD2 TYR A 15 -5.017 -0.069 6.531 1.00 0.00 C ATOM 259 CE1 TYR A 15 -3.421 -0.202 4.234 1.00 0.00 C ATOM 260 CE2 TYR A 15 -4.362 1.078 6.068 1.00 0.00 C ATOM 261 CZ TYR A 15 -3.563 1.011 4.919 1.00 0.00 C ATOM 262 OH TYR A 15 -2.916 2.141 4.462 1.00 0.00 O ATOM 0 H TYR A 15 -3.535 -1.825 7.535 1.00 0.00 H new ATOM 0 HA TYR A 15 -5.051 -4.395 7.309 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -6.204 -2.940 5.558 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.256 -2.254 7.169 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -3.969 -2.285 4.170 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.632 -0.018 7.417 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -2.805 -0.253 3.348 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -4.472 2.014 6.596 1.00 0.00 H new ATOM 0 HH TYR A 15 -3.330 2.439 3.625 1.00 0.00 H new ATOM 272 N CYS A 16 -2.464 -3.908 5.646 1.00 0.00 N ATOM 273 CA CYS A 16 -1.632 -4.423 4.519 1.00 0.00 C ATOM 274 C CYS A 16 -0.168 -4.532 4.953 1.00 0.00 C ATOM 275 O CYS A 16 0.578 -3.574 4.902 1.00 0.00 O ATOM 276 CB CYS A 16 -1.786 -3.387 3.406 1.00 0.00 C ATOM 277 SG CYS A 16 -3.184 -3.840 2.349 1.00 0.00 S ATOM 0 H CYS A 16 -1.950 -3.419 6.379 1.00 0.00 H new ATOM 0 HA CYS A 16 -1.943 -5.416 4.195 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.946 -2.398 3.835 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.872 -3.334 2.815 1.00 0.00 H new ATOM 0 HG CYS A 16 -4.194 -4.187 3.090 1.00 0.00 H new ATOM 282 N ILE A 17 0.248 -5.692 5.382 1.00 0.00 N ATOM 283 CA ILE A 17 1.663 -5.859 5.822 1.00 0.00 C ATOM 284 C ILE A 17 2.622 -5.436 4.705 1.00 0.00 C ATOM 285 O ILE A 17 3.123 -4.330 4.691 1.00 0.00 O ATOM 286 CB ILE A 17 1.810 -7.349 6.124 1.00 0.00 C ATOM 287 CG1 ILE A 17 0.891 -7.723 7.290 1.00 0.00 C ATOM 288 CG2 ILE A 17 3.261 -7.653 6.503 1.00 0.00 C ATOM 289 CD1 ILE A 17 1.090 -6.730 8.436 1.00 0.00 C ATOM 0 H ILE A 17 -0.329 -6.530 5.447 1.00 0.00 H new ATOM 0 HA ILE A 17 1.901 -5.243 6.689 1.00 0.00 H new ATOM 0 HB ILE A 17 1.536 -7.928 5.242 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.149 -7.715 6.964 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.111 -8.735 7.630 1.00 0.00 H new ATOM 0 HG21 ILE A 17 3.366 -8.716 6.718 1.00 0.00 H new ATOM 0 HG22 ILE A 17 3.917 -7.384 5.675 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.535 -7.075 7.386 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.436 -6.996 9.266 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.128 -6.761 8.768 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.849 -5.724 8.092 1.00 0.00 H new ATOM 301 N LYS A 18 2.886 -6.308 3.768 1.00 0.00 N ATOM 302 CA LYS A 18 3.816 -5.948 2.659 1.00 0.00 C ATOM 303 C LYS A 18 3.039 -5.326 1.496 1.00 0.00 C ATOM 304 O LYS A 18 2.958 -5.882 0.418 1.00 0.00 O ATOM 305 CB LYS A 18 4.462 -7.268 2.233 1.00 0.00 C ATOM 306 CG LYS A 18 3.407 -8.179 1.603 1.00 0.00 C ATOM 307 CD LYS A 18 3.839 -9.638 1.752 1.00 0.00 C ATOM 308 CE LYS A 18 4.987 -9.931 0.784 1.00 0.00 C ATOM 309 NZ LYS A 18 6.227 -9.734 1.585 1.00 0.00 N ATOM 0 H LYS A 18 2.499 -7.251 3.723 1.00 0.00 H new ATOM 0 HA LYS A 18 4.561 -5.215 2.969 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.264 -7.078 1.520 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.912 -7.759 3.096 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.442 -8.023 2.085 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.280 -7.932 0.549 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.155 -9.832 2.777 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.998 -10.300 1.547 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.926 -10.947 0.395 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.961 -9.259 -0.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.029 -10.183 1.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.413 -8.716 1.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.106 -10.165 2.524 1.00 0.00 H new ATOM 323 N GLY A 19 2.468 -4.172 1.706 1.00 0.00 N ATOM 324 CA GLY A 19 1.698 -3.511 0.616 1.00 0.00 C ATOM 325 C GLY A 19 1.720 -1.995 0.823 1.00 0.00 C ATOM 326 O GLY A 19 1.879 -1.512 1.927 1.00 0.00 O ATOM 0 H GLY A 19 2.502 -3.658 2.586 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.129 -3.763 -0.353 1.00 0.00 H new ATOM 0 HA3 GLY A 19 0.670 -3.873 0.611 1.00 0.00 H new ATOM 330 N ARG A 20 1.558 -1.242 -0.229 1.00 0.00 N ATOM 331 CA ARG A 20 1.566 0.244 -0.091 1.00 0.00 C ATOM 332 C ARG A 20 0.158 0.798 -0.318 1.00 0.00 C ATOM 333 O ARG A 20 -0.547 0.374 -1.213 1.00 0.00 O ATOM 334 CB ARG A 20 2.526 0.743 -1.173 1.00 0.00 C ATOM 335 CG ARG A 20 1.856 0.643 -2.546 1.00 0.00 C ATOM 336 CD ARG A 20 2.771 1.260 -3.608 1.00 0.00 C ATOM 337 NE ARG A 20 1.874 1.564 -4.759 1.00 0.00 N ATOM 338 CZ ARG A 20 2.080 0.994 -5.915 1.00 0.00 C ATOM 339 NH1 ARG A 20 2.278 -0.295 -5.982 1.00 0.00 N ATOM 340 NH2 ARG A 20 2.087 1.712 -7.005 1.00 0.00 N ATOM 0 H ARG A 20 1.420 -1.589 -1.178 1.00 0.00 H new ATOM 0 HA ARG A 20 1.878 0.566 0.902 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.811 1.776 -0.971 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.442 0.152 -1.161 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.653 -0.400 -2.788 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.897 1.160 -2.533 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.255 2.163 -3.236 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.563 0.569 -3.896 1.00 0.00 H new ATOM 0 HE ARG A 20 1.099 2.217 -4.643 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.272 -0.857 -5.131 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.439 -0.740 -6.886 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.931 2.719 -6.954 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.248 1.266 -7.908 1.00 0.00 H new ATOM 354 N CYS A 21 -0.260 1.738 0.484 1.00 0.00 N ATOM 355 CA CYS A 21 -1.625 2.309 0.310 1.00 0.00 C ATOM 356 C CYS A 21 -1.552 3.829 0.145 1.00 0.00 C ATOM 357 O CYS A 21 -1.026 4.530 0.987 1.00 0.00 O ATOM 358 CB CYS A 21 -2.372 1.945 1.592 1.00 0.00 C ATOM 359 SG CYS A 21 -4.054 2.610 1.520 1.00 0.00 S ATOM 0 H CYS A 21 0.283 2.135 1.251 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.122 1.920 -0.578 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.403 0.862 1.713 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.847 2.348 2.458 1.00 0.00 H new ATOM 0 HG CYS A 21 -4.793 2.019 2.412 1.00 0.00 H new ATOM 364 N ARG A 22 -2.079 4.344 -0.931 1.00 0.00 N ATOM 365 CA ARG A 22 -2.045 5.819 -1.148 1.00 0.00 C ATOM 366 C ARG A 22 -3.383 6.437 -0.734 1.00 0.00 C ATOM 367 O ARG A 22 -4.396 6.234 -1.374 1.00 0.00 O ATOM 368 CB ARG A 22 -1.813 5.996 -2.649 1.00 0.00 C ATOM 369 CG ARG A 22 -1.678 7.485 -2.974 1.00 0.00 C ATOM 370 CD ARG A 22 -0.237 7.789 -3.390 1.00 0.00 C ATOM 371 NE ARG A 22 -0.287 7.940 -4.871 1.00 0.00 N ATOM 372 CZ ARG A 22 0.723 7.554 -5.602 1.00 0.00 C ATOM 373 NH1 ARG A 22 1.917 8.025 -5.364 1.00 0.00 N ATOM 374 NH2 ARG A 22 0.540 6.698 -6.570 1.00 0.00 N ATOM 0 H ARG A 22 -2.532 3.807 -1.671 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.269 6.308 -0.559 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.912 5.464 -2.953 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.643 5.565 -3.209 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.364 7.756 -3.776 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.951 8.084 -2.105 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.128 8.698 -2.913 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.436 6.983 -3.098 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.111 8.345 -5.314 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.060 8.694 -4.607 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.707 7.724 -5.935 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.393 6.330 -6.756 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.330 6.397 -7.141 1.00 0.00 H new ATOM 388 N PHE A 23 -3.396 7.186 0.334 1.00 0.00 N ATOM 389 CA PHE A 23 -4.670 7.811 0.789 1.00 0.00 C ATOM 390 C PHE A 23 -4.779 9.244 0.260 1.00 0.00 C ATOM 391 O PHE A 23 -4.059 10.127 0.680 1.00 0.00 O ATOM 392 CB PHE A 23 -4.587 7.809 2.316 1.00 0.00 C ATOM 393 CG PHE A 23 -5.978 7.853 2.901 1.00 0.00 C ATOM 394 CD1 PHE A 23 -6.865 8.868 2.521 1.00 0.00 C ATOM 395 CD2 PHE A 23 -6.380 6.880 3.824 1.00 0.00 C ATOM 396 CE1 PHE A 23 -8.155 8.910 3.065 1.00 0.00 C ATOM 397 CE2 PHE A 23 -7.670 6.922 4.368 1.00 0.00 C ATOM 398 CZ PHE A 23 -8.557 7.937 3.988 1.00 0.00 C ATOM 0 H PHE A 23 -2.580 7.392 0.911 1.00 0.00 H new ATOM 0 HA PHE A 23 -5.546 7.273 0.426 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -4.065 6.916 2.660 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.010 8.668 2.660 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -6.554 9.618 1.809 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.696 6.097 4.116 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -8.839 9.693 2.773 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -7.981 6.172 5.080 1.00 0.00 H new ATOM 0 HZ PHE A 23 -9.552 7.969 4.407 1.00 0.00 H new ATOM 408 N VAL A 24 -5.677 9.481 -0.659 1.00 0.00 N ATOM 409 CA VAL A 24 -5.831 10.858 -1.209 1.00 0.00 C ATOM 410 C VAL A 24 -6.651 11.720 -0.247 1.00 0.00 C ATOM 411 O VAL A 24 -7.798 11.426 0.040 1.00 0.00 O ATOM 412 CB VAL A 24 -6.573 10.682 -2.532 1.00 0.00 C ATOM 413 CG1 VAL A 24 -6.507 11.984 -3.332 1.00 0.00 C ATOM 414 CG2 VAL A 24 -5.918 9.557 -3.337 1.00 0.00 C ATOM 0 H VAL A 24 -6.308 8.783 -1.051 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.871 11.355 -1.346 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.615 10.430 -2.333 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -7.037 11.858 -4.276 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -6.972 12.787 -2.760 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -5.465 12.236 -3.531 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -6.447 9.430 -4.282 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.876 9.810 -3.535 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -5.964 8.628 -2.768 1.00 0.00 H new ATOM 424 N VAL A 25 -6.070 12.778 0.253 1.00 0.00 N ATOM 425 CA VAL A 25 -6.805 13.665 1.200 1.00 0.00 C ATOM 426 C VAL A 25 -7.743 14.602 0.433 1.00 0.00 C ATOM 427 O VAL A 25 -8.949 14.516 0.554 1.00 0.00 O ATOM 428 CB VAL A 25 -5.716 14.464 1.916 1.00 0.00 C ATOM 429 CG1 VAL A 25 -6.355 15.361 2.977 1.00 0.00 C ATOM 430 CG2 VAL A 25 -4.739 13.498 2.589 1.00 0.00 C ATOM 0 H VAL A 25 -5.114 13.067 0.045 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.424 13.101 1.897 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.182 15.081 1.193 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.578 15.931 3.487 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.054 16.048 2.500 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.888 14.745 3.701 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.961 14.065 3.100 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.275 12.883 3.312 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.284 12.857 1.834 1.00 0.00 H new ATOM 440 N ALA A 26 -7.200 15.494 -0.357 1.00 0.00 N ATOM 441 CA ALA A 26 -8.068 16.430 -1.132 1.00 0.00 C ATOM 442 C ALA A 26 -9.266 15.669 -1.698 1.00 0.00 C ATOM 443 O ALA A 26 -10.398 16.096 -1.588 1.00 0.00 O ATOM 444 CB ALA A 26 -7.180 16.953 -2.262 1.00 0.00 C ATOM 0 H ALA A 26 -6.197 15.614 -0.498 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.460 17.242 -0.520 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.748 17.650 -2.878 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.316 17.465 -1.838 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.842 16.118 -2.876 1.00 0.00 H new ATOM 450 N GLU A 27 -9.022 14.532 -2.285 1.00 0.00 N ATOM 451 CA GLU A 27 -10.138 13.720 -2.842 1.00 0.00 C ATOM 452 C GLU A 27 -10.243 12.410 -2.058 1.00 0.00 C ATOM 453 O GLU A 27 -9.611 11.428 -2.393 1.00 0.00 O ATOM 454 CB GLU A 27 -9.757 13.453 -4.299 1.00 0.00 C ATOM 455 CG GLU A 27 -10.445 14.478 -5.204 1.00 0.00 C ATOM 456 CD GLU A 27 -10.382 14.002 -6.657 1.00 0.00 C ATOM 457 OE1 GLU A 27 -10.915 12.940 -6.936 1.00 0.00 O ATOM 458 OE2 GLU A 27 -9.801 14.707 -7.466 1.00 0.00 O ATOM 0 H GLU A 27 -8.093 14.128 -2.404 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.103 14.223 -2.774 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.675 13.514 -4.420 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -10.053 12.444 -4.584 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.483 14.610 -4.898 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.959 15.449 -5.107 1.00 0.00 H new ATOM 465 N GLN A 28 -11.020 12.405 -1.004 1.00 0.00 N ATOM 466 CA GLN A 28 -11.167 11.175 -0.164 1.00 0.00 C ATOM 467 C GLN A 28 -11.096 9.910 -1.022 1.00 0.00 C ATOM 468 O GLN A 28 -12.092 9.436 -1.531 1.00 0.00 O ATOM 469 CB GLN A 28 -12.545 11.304 0.483 1.00 0.00 C ATOM 470 CG GLN A 28 -12.423 11.095 1.994 1.00 0.00 C ATOM 471 CD GLN A 28 -12.676 12.420 2.715 1.00 0.00 C ATOM 472 OE1 GLN A 28 -13.407 12.466 3.685 1.00 0.00 O ATOM 473 NE2 GLN A 28 -12.100 13.507 2.281 1.00 0.00 N ATOM 0 H GLN A 28 -11.564 13.207 -0.686 1.00 0.00 H new ATOM 0 HA GLN A 28 -10.368 11.091 0.573 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -12.965 12.288 0.274 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -13.228 10.569 0.058 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.140 10.345 2.327 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -11.430 10.718 2.241 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -11.486 13.469 1.467 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -12.263 14.395 2.756 1.00 0.00 H new ATOM 482 N THR A 29 -9.924 9.356 -1.182 1.00 0.00 N ATOM 483 CA THR A 29 -9.794 8.117 -2.004 1.00 0.00 C ATOM 484 C THR A 29 -8.680 7.226 -1.452 1.00 0.00 C ATOM 485 O THR A 29 -7.564 7.254 -1.932 1.00 0.00 O ATOM 486 CB THR A 29 -9.446 8.605 -3.411 1.00 0.00 C ATOM 487 OG1 THR A 29 -10.540 9.341 -3.941 1.00 0.00 O ATOM 488 CG2 THR A 29 -9.153 7.404 -4.311 1.00 0.00 C ATOM 0 H THR A 29 -9.054 9.706 -0.781 1.00 0.00 H new ATOM 0 HA THR A 29 -10.707 7.522 -1.995 1.00 0.00 H new ATOM 0 HB THR A 29 -8.566 9.246 -3.366 1.00 0.00 H new ATOM 0 HG1 THR A 29 -10.499 10.266 -3.619 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.905 7.753 -5.314 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.313 6.841 -3.904 1.00 0.00 H new ATOM 0 HG23 THR A 29 -10.032 6.761 -4.357 1.00 0.00 H new ATOM 496 N PRO A 30 -9.027 6.456 -0.456 1.00 0.00 N ATOM 497 CA PRO A 30 -8.051 5.537 0.174 1.00 0.00 C ATOM 498 C PRO A 30 -7.848 4.296 -0.702 1.00 0.00 C ATOM 499 O PRO A 30 -8.659 3.391 -0.708 1.00 0.00 O ATOM 500 CB PRO A 30 -8.714 5.162 1.495 1.00 0.00 C ATOM 501 CG PRO A 30 -10.183 5.350 1.266 1.00 0.00 C ATOM 502 CD PRO A 30 -10.349 6.376 0.171 1.00 0.00 C ATOM 0 HA PRO A 30 -7.066 5.983 0.308 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -8.487 4.132 1.771 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -8.358 5.795 2.308 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.649 4.407 0.981 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -10.673 5.684 2.181 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -11.111 6.072 -0.546 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -10.657 7.341 0.574 1.00 0.00 H new ATOM 510 N SER A 31 -6.774 4.247 -1.441 1.00 0.00 N ATOM 511 CA SER A 31 -6.525 3.063 -2.314 1.00 0.00 C ATOM 512 C SER A 31 -5.403 2.203 -1.730 1.00 0.00 C ATOM 513 O SER A 31 -4.281 2.645 -1.580 1.00 0.00 O ATOM 514 CB SER A 31 -6.105 3.648 -3.662 1.00 0.00 C ATOM 515 OG SER A 31 -7.107 4.549 -4.115 1.00 0.00 O ATOM 0 H SER A 31 -6.059 4.973 -1.479 1.00 0.00 H new ATOM 0 HA SER A 31 -7.403 2.423 -2.403 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.151 4.166 -3.565 1.00 0.00 H new ATOM 0 HB3 SER A 31 -5.962 2.849 -4.390 1.00 0.00 H new ATOM 0 HG SER A 31 -6.840 4.928 -4.979 1.00 0.00 H new ATOM 521 N CYS A 32 -5.695 0.975 -1.397 1.00 0.00 N ATOM 522 CA CYS A 32 -4.644 0.089 -0.820 1.00 0.00 C ATOM 523 C CYS A 32 -4.059 -0.817 -1.908 1.00 0.00 C ATOM 524 O CYS A 32 -4.736 -1.203 -2.839 1.00 0.00 O ATOM 525 CB CYS A 32 -5.365 -0.742 0.240 1.00 0.00 C ATOM 526 SG CYS A 32 -6.515 -1.884 -0.567 1.00 0.00 S ATOM 0 H CYS A 32 -6.615 0.547 -1.499 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.813 0.654 -0.398 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.641 -1.298 0.835 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.905 -0.088 0.924 1.00 0.00 H new ATOM 0 HG CYS A 32 -6.242 -1.950 -1.836 1.00 0.00 H new ATOM 531 N VAL A 33 -2.805 -1.160 -1.794 1.00 0.00 N ATOM 532 CA VAL A 33 -2.175 -2.042 -2.818 1.00 0.00 C ATOM 533 C VAL A 33 -1.151 -2.969 -2.158 1.00 0.00 C ATOM 534 O VAL A 33 -0.552 -2.633 -1.155 1.00 0.00 O ATOM 535 CB VAL A 33 -1.483 -1.087 -3.792 1.00 0.00 C ATOM 536 CG1 VAL A 33 -0.974 -1.873 -5.001 1.00 0.00 C ATOM 537 CG2 VAL A 33 -2.480 -0.024 -4.259 1.00 0.00 C ATOM 0 H VAL A 33 -2.189 -0.868 -1.036 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.904 -2.679 -3.320 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.643 -0.604 -3.292 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.481 -1.193 -5.696 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.264 -2.631 -4.670 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.814 -2.356 -5.501 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.987 0.657 -4.953 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.319 -0.507 -4.759 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.844 0.536 -3.398 1.00 0.00 H new ATOM 547 N CYS A 34 -0.946 -4.133 -2.710 1.00 0.00 N ATOM 548 CA CYS A 34 0.038 -5.079 -2.111 1.00 0.00 C ATOM 549 C CYS A 34 1.133 -5.419 -3.125 1.00 0.00 C ATOM 550 O CYS A 34 0.973 -5.224 -4.314 1.00 0.00 O ATOM 551 CB CYS A 34 -0.774 -6.325 -1.759 1.00 0.00 C ATOM 552 SG CYS A 34 -2.239 -5.842 -0.812 1.00 0.00 S ATOM 0 H CYS A 34 -1.417 -4.470 -3.550 1.00 0.00 H new ATOM 0 HA CYS A 34 0.536 -4.657 -1.238 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.071 -6.847 -2.668 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.164 -7.018 -1.178 1.00 0.00 H new ATOM 0 HG CYS A 34 -2.616 -6.833 -0.060 1.00 0.00 H new ATOM 557 N ASP A 35 2.245 -5.925 -2.666 1.00 0.00 N ATOM 558 CA ASP A 35 3.349 -6.277 -3.605 1.00 0.00 C ATOM 559 C ASP A 35 2.856 -7.279 -4.652 1.00 0.00 C ATOM 560 O ASP A 35 2.299 -8.308 -4.324 1.00 0.00 O ATOM 561 CB ASP A 35 4.431 -6.906 -2.726 1.00 0.00 C ATOM 562 CG ASP A 35 5.537 -5.883 -2.465 1.00 0.00 C ATOM 563 OD1 ASP A 35 6.261 -5.572 -3.396 1.00 0.00 O ATOM 564 OD2 ASP A 35 5.641 -5.427 -1.338 1.00 0.00 O ATOM 0 H ASP A 35 2.437 -6.110 -1.682 1.00 0.00 H new ATOM 0 HA ASP A 35 3.720 -5.409 -4.149 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.999 -7.239 -1.782 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.845 -7.787 -3.216 1.00 0.00 H new ATOM 569 N GLU A 36 3.058 -6.990 -5.909 1.00 0.00 N ATOM 570 CA GLU A 36 2.599 -7.930 -6.972 1.00 0.00 C ATOM 571 C GLU A 36 3.084 -9.351 -6.666 1.00 0.00 C ATOM 572 O GLU A 36 2.346 -10.308 -6.789 1.00 0.00 O ATOM 573 CB GLU A 36 3.238 -7.413 -8.262 1.00 0.00 C ATOM 574 CG GLU A 36 2.220 -7.490 -9.402 1.00 0.00 C ATOM 575 CD GLU A 36 2.455 -8.768 -10.209 1.00 0.00 C ATOM 576 OE1 GLU A 36 2.663 -9.803 -9.597 1.00 0.00 O ATOM 577 OE2 GLU A 36 2.422 -8.691 -11.427 1.00 0.00 O ATOM 0 H GLU A 36 3.520 -6.145 -6.246 1.00 0.00 H new ATOM 0 HA GLU A 36 1.512 -7.973 -7.044 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.573 -6.384 -8.128 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.120 -8.006 -8.507 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.207 -7.482 -9.000 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.314 -6.617 -10.048 1.00 0.00 H new ATOM 584 N GLY A 37 4.318 -9.493 -6.268 1.00 0.00 N ATOM 585 CA GLY A 37 4.849 -10.850 -5.955 1.00 0.00 C ATOM 586 C GLY A 37 4.605 -11.167 -4.478 1.00 0.00 C ATOM 587 O GLY A 37 5.467 -11.681 -3.793 1.00 0.00 O ATOM 0 H GLY A 37 4.982 -8.728 -6.146 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.362 -11.596 -6.583 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.915 -10.894 -6.176 1.00 0.00 H new ATOM 591 N TYR A 38 3.436 -10.865 -3.981 1.00 0.00 N ATOM 592 CA TYR A 38 3.141 -11.150 -2.547 1.00 0.00 C ATOM 593 C TYR A 38 2.035 -12.208 -2.433 1.00 0.00 C ATOM 594 O TYR A 38 1.409 -12.575 -3.407 1.00 0.00 O ATOM 595 CB TYR A 38 2.702 -9.797 -1.956 1.00 0.00 C ATOM 596 CG TYR A 38 1.194 -9.652 -1.989 1.00 0.00 C ATOM 597 CD1 TYR A 38 0.499 -9.775 -3.199 1.00 0.00 C ATOM 598 CD2 TYR A 38 0.494 -9.394 -0.805 1.00 0.00 C ATOM 599 CE1 TYR A 38 -0.894 -9.640 -3.223 1.00 0.00 C ATOM 600 CE2 TYR A 38 -0.899 -9.259 -0.830 1.00 0.00 C ATOM 601 CZ TYR A 38 -1.593 -9.383 -2.039 1.00 0.00 C ATOM 602 OH TYR A 38 -2.967 -9.250 -2.063 1.00 0.00 O ATOM 0 H TYR A 38 2.674 -10.434 -4.504 1.00 0.00 H new ATOM 0 HA TYR A 38 4.000 -11.554 -2.012 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.056 -9.713 -0.929 1.00 0.00 H new ATOM 0 HB3 TYR A 38 3.161 -8.984 -2.519 1.00 0.00 H new ATOM 0 HD1 TYR A 38 1.038 -9.974 -4.113 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.029 -9.299 0.128 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.429 -9.734 -4.156 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -1.438 -9.059 0.084 1.00 0.00 H new ATOM 0 HH TYR A 38 -3.295 -9.075 -1.156 1.00 0.00 H new ATOM 612 N ILE A 39 1.793 -12.702 -1.248 1.00 0.00 N ATOM 613 CA ILE A 39 0.732 -13.734 -1.073 1.00 0.00 C ATOM 614 C ILE A 39 0.115 -13.632 0.325 1.00 0.00 C ATOM 615 O ILE A 39 0.597 -12.909 1.175 1.00 0.00 O ATOM 616 CB ILE A 39 1.450 -15.072 -1.246 1.00 0.00 C ATOM 617 CG1 ILE A 39 2.117 -15.117 -2.623 1.00 0.00 C ATOM 618 CG2 ILE A 39 0.440 -16.215 -1.132 1.00 0.00 C ATOM 619 CD1 ILE A 39 2.653 -16.526 -2.885 1.00 0.00 C ATOM 0 H ILE A 39 2.284 -12.435 -0.395 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.083 -13.612 -1.787 1.00 0.00 H new ATOM 0 HB ILE A 39 2.207 -15.180 -0.470 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.400 -14.840 -3.395 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.930 -14.393 -2.669 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.954 -17.168 -1.256 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.036 -16.184 -0.152 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.319 -16.109 -1.907 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.128 -16.558 -3.866 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.384 -16.786 -2.119 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.829 -17.240 -2.857 1.00 0.00 H new ATOM 631 N GLY A 40 -0.947 -14.350 0.568 1.00 0.00 N ATOM 632 CA GLY A 40 -1.593 -14.293 1.910 1.00 0.00 C ATOM 633 C GLY A 40 -2.796 -13.348 1.861 1.00 0.00 C ATOM 634 O GLY A 40 -2.990 -12.625 0.902 1.00 0.00 O ATOM 0 H GLY A 40 -1.395 -14.973 -0.104 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.913 -15.290 2.213 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.877 -13.948 2.655 1.00 0.00 H new ATOM 638 N ALA A 41 -3.604 -13.346 2.885 1.00 0.00 N ATOM 639 CA ALA A 41 -4.793 -12.446 2.894 1.00 0.00 C ATOM 640 C ALA A 41 -4.407 -11.066 3.433 1.00 0.00 C ATOM 641 O ALA A 41 -4.825 -10.049 2.917 1.00 0.00 O ATOM 642 CB ALA A 41 -5.796 -13.125 3.829 1.00 0.00 C ATOM 0 H ALA A 41 -3.493 -13.928 3.715 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.204 -12.294 1.896 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.702 -12.522 3.890 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.043 -14.114 3.442 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.358 -13.223 4.822 1.00 0.00 H new ATOM 648 N ARG A 42 -3.611 -11.025 4.467 1.00 0.00 N ATOM 649 CA ARG A 42 -3.199 -9.711 5.038 1.00 0.00 C ATOM 650 C ARG A 42 -1.833 -9.296 4.481 1.00 0.00 C ATOM 651 O ARG A 42 -1.135 -8.488 5.060 1.00 0.00 O ATOM 652 CB ARG A 42 -3.112 -9.945 6.546 1.00 0.00 C ATOM 653 CG ARG A 42 -4.521 -10.120 7.118 1.00 0.00 C ATOM 654 CD ARG A 42 -4.492 -9.875 8.629 1.00 0.00 C ATOM 655 NE ARG A 42 -5.858 -9.386 8.965 1.00 0.00 N ATOM 656 CZ ARG A 42 -6.007 -8.304 9.680 1.00 0.00 C ATOM 657 NH1 ARG A 42 -5.269 -8.115 10.740 1.00 0.00 N ATOM 658 NH2 ARG A 42 -6.894 -7.411 9.334 1.00 0.00 N ATOM 0 H ARG A 42 -3.229 -11.844 4.940 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.900 -8.915 4.788 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.511 -10.831 6.753 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.615 -9.103 7.027 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.209 -9.423 6.639 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.888 -11.125 6.909 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -4.255 -10.789 9.173 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -3.733 -9.140 8.895 1.00 0.00 H new ATOM 0 HE ARG A 42 -6.677 -9.897 8.636 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -4.576 -8.813 11.010 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.386 -7.269 11.298 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -7.470 -7.559 8.505 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.011 -6.565 9.892 1.00 0.00 H new ATOM 672 N CYS A 43 -1.448 -9.846 3.360 1.00 0.00 N ATOM 673 CA CYS A 43 -0.127 -9.485 2.763 1.00 0.00 C ATOM 674 C CYS A 43 1.009 -9.925 3.691 1.00 0.00 C ATOM 675 O CYS A 43 2.048 -9.300 3.755 1.00 0.00 O ATOM 676 CB CYS A 43 -0.146 -7.958 2.629 1.00 0.00 C ATOM 677 SG CYS A 43 -1.737 -7.417 1.955 1.00 0.00 S ATOM 0 H CYS A 43 -1.990 -10.529 2.831 1.00 0.00 H new ATOM 0 HA CYS A 43 0.035 -9.974 1.802 1.00 0.00 H new ATOM 0 HB2 CYS A 43 0.022 -7.497 3.602 1.00 0.00 H new ATOM 0 HB3 CYS A 43 0.665 -7.631 1.977 1.00 0.00 H new ATOM 0 HG CYS A 43 -1.536 -6.521 1.035 1.00 0.00 H new ATOM 682 N GLU A 44 0.817 -10.997 4.413 1.00 0.00 N ATOM 683 CA GLU A 44 1.885 -11.473 5.340 1.00 0.00 C ATOM 684 C GLU A 44 2.792 -12.488 4.639 1.00 0.00 C ATOM 685 O GLU A 44 3.896 -12.749 5.073 1.00 0.00 O ATOM 686 CB GLU A 44 1.136 -12.139 6.495 1.00 0.00 C ATOM 687 CG GLU A 44 0.460 -11.069 7.353 1.00 0.00 C ATOM 688 CD GLU A 44 -0.770 -11.666 8.039 1.00 0.00 C ATOM 689 OE1 GLU A 44 -1.267 -12.668 7.552 1.00 0.00 O ATOM 690 OE2 GLU A 44 -1.195 -11.111 9.039 1.00 0.00 O ATOM 0 H GLU A 44 -0.032 -11.563 4.401 1.00 0.00 H new ATOM 0 HA GLU A 44 2.526 -10.659 5.678 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.390 -12.832 6.106 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.828 -12.723 7.102 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.159 -10.692 8.100 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.168 -10.222 6.733 1.00 0.00 H new ATOM 697 N ARG A 45 2.338 -13.066 3.560 1.00 0.00 N ATOM 698 CA ARG A 45 3.182 -14.065 2.842 1.00 0.00 C ATOM 699 C ARG A 45 3.898 -13.405 1.662 1.00 0.00 C ATOM 700 O ARG A 45 3.541 -12.325 1.233 1.00 0.00 O ATOM 701 CB ARG A 45 2.202 -15.132 2.352 1.00 0.00 C ATOM 702 CG ARG A 45 1.992 -16.177 3.451 1.00 0.00 C ATOM 703 CD ARG A 45 0.682 -15.888 4.187 1.00 0.00 C ATOM 704 NE ARG A 45 -0.070 -17.174 4.151 1.00 0.00 N ATOM 705 CZ ARG A 45 0.380 -18.213 4.800 1.00 0.00 C ATOM 706 NH1 ARG A 45 1.202 -18.054 5.802 1.00 0.00 N ATOM 707 NH2 ARG A 45 0.007 -19.414 4.448 1.00 0.00 N ATOM 0 H ARG A 45 1.423 -12.891 3.145 1.00 0.00 H new ATOM 0 HA ARG A 45 3.956 -14.488 3.482 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.250 -14.672 2.086 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.588 -15.609 1.451 1.00 0.00 H new ATOM 0 HG2 ARG A 45 1.965 -17.176 3.017 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.827 -16.157 4.151 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.867 -15.567 5.212 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.123 -15.090 3.699 1.00 0.00 H new ATOM 0 HE ARG A 45 -0.937 -17.242 3.619 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.493 -17.117 6.079 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.553 -18.867 6.308 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.636 -19.540 3.666 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.358 -20.226 4.955 1.00 0.00 H new ATOM 721 N VAL A 46 4.906 -14.043 1.134 1.00 0.00 N ATOM 722 CA VAL A 46 5.644 -13.447 -0.017 1.00 0.00 C ATOM 723 C VAL A 46 6.170 -14.551 -0.939 1.00 0.00 C ATOM 724 O VAL A 46 6.432 -15.657 -0.513 1.00 0.00 O ATOM 725 CB VAL A 46 6.805 -12.677 0.612 1.00 0.00 C ATOM 726 CG1 VAL A 46 7.668 -13.634 1.436 1.00 0.00 C ATOM 727 CG2 VAL A 46 7.656 -12.050 -0.494 1.00 0.00 C ATOM 0 H VAL A 46 5.251 -14.950 1.449 1.00 0.00 H new ATOM 0 HA VAL A 46 5.008 -12.803 -0.624 1.00 0.00 H new ATOM 0 HB VAL A 46 6.412 -11.894 1.260 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.495 -13.084 1.884 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.063 -14.083 2.223 1.00 0.00 H new ATOM 0 HG13 VAL A 46 8.062 -14.418 0.789 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.485 -11.500 -0.048 1.00 0.00 H new ATOM 0 HG22 VAL A 46 8.048 -12.835 -1.141 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.043 -11.367 -1.082 1.00 0.00 H new ATOM 737 N ASP A 47 6.330 -14.256 -2.200 1.00 0.00 N ATOM 738 CA ASP A 47 6.841 -15.287 -3.148 1.00 0.00 C ATOM 739 C ASP A 47 8.332 -15.066 -3.412 1.00 0.00 C ATOM 740 O ASP A 47 8.747 -14.834 -4.530 1.00 0.00 O ATOM 741 CB ASP A 47 6.035 -15.082 -4.431 1.00 0.00 C ATOM 742 CG ASP A 47 5.948 -16.404 -5.195 1.00 0.00 C ATOM 743 OD1 ASP A 47 6.378 -17.409 -4.653 1.00 0.00 O ATOM 744 OD2 ASP A 47 5.451 -16.390 -6.310 1.00 0.00 O ATOM 0 H ASP A 47 6.129 -13.346 -2.615 1.00 0.00 H new ATOM 0 HA ASP A 47 6.732 -16.298 -2.756 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.035 -14.722 -4.191 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.507 -14.321 -5.052 1.00 0.00 H new ATOM 749 N LEU A 48 9.143 -15.135 -2.391 1.00 0.00 N ATOM 750 CA LEU A 48 10.606 -14.927 -2.587 1.00 0.00 C ATOM 751 C LEU A 48 11.399 -15.992 -1.824 1.00 0.00 C ATOM 752 O LEU A 48 11.008 -16.426 -0.759 1.00 0.00 O ATOM 753 CB LEU A 48 10.888 -13.537 -2.017 1.00 0.00 C ATOM 754 CG LEU A 48 10.985 -12.526 -3.160 1.00 0.00 C ATOM 755 CD1 LEU A 48 9.584 -12.035 -3.529 1.00 0.00 C ATOM 756 CD2 LEU A 48 11.841 -11.339 -2.715 1.00 0.00 C ATOM 0 H LEU A 48 8.856 -15.326 -1.431 1.00 0.00 H new ATOM 0 HA LEU A 48 10.898 -15.005 -3.634 1.00 0.00 H new ATOM 0 HB2 LEU A 48 10.095 -13.247 -1.328 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.817 -13.548 -1.447 1.00 0.00 H new ATOM 0 HG LEU A 48 11.442 -13.001 -4.028 1.00 0.00 H new ATOM 0 HD11 LEU A 48 9.654 -11.314 -4.344 1.00 0.00 H new ATOM 0 HD12 LEU A 48 8.973 -12.881 -3.844 1.00 0.00 H new ATOM 0 HD13 LEU A 48 9.125 -11.559 -2.662 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.912 -10.616 -3.528 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.383 -10.865 -1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.839 -11.689 -2.452 1.00 0.00 H new ATOM 768 N PHE A 49 12.511 -16.413 -2.362 1.00 0.00 N ATOM 769 CA PHE A 49 13.331 -17.448 -1.669 1.00 0.00 C ATOM 770 C PHE A 49 14.340 -16.782 -0.729 1.00 0.00 C ATOM 771 O PHE A 49 15.397 -17.316 -0.458 1.00 0.00 O ATOM 772 CB PHE A 49 14.057 -18.193 -2.789 1.00 0.00 C ATOM 773 CG PHE A 49 13.051 -18.916 -3.653 1.00 0.00 C ATOM 774 CD1 PHE A 49 12.094 -19.753 -3.066 1.00 0.00 C ATOM 775 CD2 PHE A 49 13.077 -18.752 -5.044 1.00 0.00 C ATOM 776 CE1 PHE A 49 11.164 -20.423 -3.869 1.00 0.00 C ATOM 777 CE2 PHE A 49 12.146 -19.422 -5.846 1.00 0.00 C ATOM 778 CZ PHE A 49 11.190 -20.258 -5.259 1.00 0.00 C ATOM 0 H PHE A 49 12.887 -16.085 -3.252 1.00 0.00 H new ATOM 0 HA PHE A 49 12.722 -18.117 -1.061 1.00 0.00 H new ATOM 0 HB2 PHE A 49 14.632 -17.491 -3.393 1.00 0.00 H new ATOM 0 HB3 PHE A 49 14.766 -18.905 -2.366 1.00 0.00 H new ATOM 0 HD1 PHE A 49 12.074 -19.881 -1.994 1.00 0.00 H new ATOM 0 HD2 PHE A 49 13.816 -18.108 -5.498 1.00 0.00 H new ATOM 0 HE1 PHE A 49 10.426 -21.068 -3.416 1.00 0.00 H new ATOM 0 HE2 PHE A 49 12.166 -19.294 -6.918 1.00 0.00 H new ATOM 0 HZ PHE A 49 10.472 -20.776 -5.878 1.00 0.00 H new ATOM 788 N TYR A 50 14.023 -15.616 -0.232 1.00 0.00 N ATOM 789 CA TYR A 50 14.969 -14.916 0.688 1.00 0.00 C ATOM 790 C TYR A 50 15.560 -15.908 1.693 1.00 0.00 C ATOM 791 O TYR A 50 15.013 -16.991 1.821 1.00 0.00 O ATOM 792 CB TYR A 50 14.124 -13.865 1.410 1.00 0.00 C ATOM 793 CG TYR A 50 13.203 -14.546 2.394 1.00 0.00 C ATOM 794 CD1 TYR A 50 13.694 -14.967 3.636 1.00 0.00 C ATOM 795 CD2 TYR A 50 11.859 -14.757 2.064 1.00 0.00 C ATOM 796 CE1 TYR A 50 12.841 -15.600 4.548 1.00 0.00 C ATOM 797 CE2 TYR A 50 11.006 -15.390 2.976 1.00 0.00 C ATOM 798 CZ TYR A 50 11.497 -15.811 4.218 1.00 0.00 C ATOM 799 OH TYR A 50 10.657 -16.435 5.117 1.00 0.00 O ATOM 800 OXT TYR A 50 16.551 -15.566 2.318 1.00 0.00 O ATOM 0 H TYR A 50 13.153 -15.119 -0.422 1.00 0.00 H new ATOM 0 HA TYR A 50 15.805 -14.467 0.152 1.00 0.00 H new ATOM 0 HB2 TYR A 50 14.771 -13.158 1.930 1.00 0.00 H new ATOM 0 HB3 TYR A 50 13.542 -13.292 0.688 1.00 0.00 H new ATOM 0 HD1 TYR A 50 14.731 -14.803 3.890 1.00 0.00 H new ATOM 0 HD2 TYR A 50 11.480 -14.432 1.106 1.00 0.00 H new ATOM 0 HE1 TYR A 50 13.220 -15.925 5.506 1.00 0.00 H new ATOM 0 HE2 TYR A 50 9.969 -15.554 2.722 1.00 0.00 H new ATOM 0 HH TYR A 50 9.758 -16.502 4.733 1.00 0.00 H new TER 810 TYR A 50