USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 614 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 THR OG1 : rot -73:sc= -0.803 USER MOD Set 1.2: A 18 THR OG1 : rot -67:sc= 2.54 USER MOD Set 1.3: A 20 THR OG1 : rot 81:sc= 1.22 USER MOD Set 1.4: A 67 ASN : amide:sc= -0.161 K(o=2.8,f=-8.9!) USER MOD Set 2.1: A 48 LYS NZ :NH3+ 162:sc= 1.7 (180deg=0.94) USER MOD Set 2.2: A 50 TYR OH : rot 30:sc= 0.567 USER MOD Set 3.1: A 37 THR OG1 : rot -62:sc= 1.34 USER MOD Set 3.2: A 40 THR OG1 : rot -173:sc= 2.02 USER MOD Set 3.3: A 41 ASN : amide:sc= -3.23! C(o=0.13!,f=-2.2!) USER MOD Set 4.1: A 23 GLN : amide:sc= -1.32 K(o=-3.7,f=-15!) USER MOD Set 4.2: A 33 HIS : +bothHN:sc= -2.35 K(o=-3.7,f=-10!) USER MOD Set 5.1: A 2 MET CE :methyl 150:sc= 0 (180deg=-0.357) USER MOD Set 5.2: A 79 GLN : amide:sc= -1.38 K(o=-1.4,f=-13!) USER MOD Single : A 5 ASN : amide:sc= 0.344 K(o=0.34,f=-2.1!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot -153:sc= -0.0289 USER MOD Single : A -3 ASN :FLIP amide:sc= -0.593 F(o=-2.9!,f=-0.59) USER MOD Single : A -4 SER N :NH3+ -138:sc= 0.0954 (180deg=0) USER MOD Single : A -4 SER OG : rot 160:sc= 0.734 USER MOD Single : A 12 LYS NZ :NH3+ -162:sc= -0.0744 (180deg=-0.394) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.826 K(o=-0.83,f=-8!) USER MOD Single : A 31 HIS : no HD1:sc= -2.48 K(o=-2.5,f=-4.3) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0.923 K(o=0.92,f=-4.8!) USER MOD Single : A 53 ASN : amide:sc= 0.614 K(o=0.61,f=-11!) USER MOD Single : A 64 TYR OH : rot 96:sc= -0.8 USER MOD Single : A 65 THR OG1 : rot -89:sc= -0.283 USER MOD Single : A 66 THR OG1 : rot -74:sc= 0.25 USER MOD Single : A 70 LYS NZ :NH3+ 176:sc= 0.774 (180deg=0.685) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 130:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A -4 1.099 37.327 1.049 1.00 0.00 N ATOM 2 CA SER A -4 1.892 36.686 -0.014 1.00 0.00 C ATOM 3 C SER A -4 1.110 35.513 -0.597 1.00 0.00 C ATOM 4 O SER A -4 -0.122 35.533 -0.607 1.00 0.00 O ATOM 5 CB SER A -4 3.227 36.213 0.569 1.00 0.00 C ATOM 6 OG SER A -4 3.022 35.339 1.667 1.00 0.00 O ATOM 0 H1 SER A -4 1.177 38.361 0.965 1.00 0.00 H new ATOM 0 H2 SER A -4 0.102 37.046 0.956 1.00 0.00 H new ATOM 0 H3 SER A -4 1.457 37.027 1.978 1.00 0.00 H new ATOM 0 HA SER A -4 2.091 37.399 -0.814 1.00 0.00 H new ATOM 0 HB2 SER A -4 3.805 35.704 -0.203 1.00 0.00 H new ATOM 0 HB3 SER A -4 3.813 37.074 0.890 1.00 0.00 H new ATOM 0 HG SER A -4 3.830 34.805 1.815 1.00 0.00 H new ATOM 14 N ASN A -3 1.817 34.496 -1.079 1.00 0.00 N ATOM 15 CA ASN A -3 1.182 33.246 -1.477 1.00 0.00 C ATOM 16 C ASN A -3 0.842 32.464 -0.212 1.00 0.00 C ATOM 17 O ASN A -3 0.093 31.483 -0.237 1.00 0.00 O ATOM 18 CB ASN A -3 2.128 32.435 -2.379 1.00 0.00 C ATOM 19 CG ASN A -3 1.515 31.140 -2.888 1.00 0.00 C ATOM 20 OD1 ASN A -3 2.344 30.121 -3.080 1.00 0.00 O flip ATOM 21 ND2 ASN A -3 0.306 31.055 -3.117 1.00 0.00 N flip ATOM 0 H ASN A -3 2.829 34.513 -1.203 1.00 0.00 H new ATOM 0 HA ASN A -3 0.273 33.446 -2.044 1.00 0.00 H new ATOM 0 HB2 ASN A -3 2.421 33.049 -3.231 1.00 0.00 H new ATOM 0 HB3 ASN A -3 3.038 32.204 -1.825 1.00 0.00 H new ATOM 0 HD21 ASN A -3 -0.301 31.859 -2.958 1.00 0.00 H new ATOM 0 HD22 ASN A -3 -0.087 30.181 -3.466 1.00 0.00 H new ATOM 28 N ALA A -2 1.409 32.944 0.901 1.00 0.00 N ATOM 29 CA ALA A -2 1.236 32.346 2.217 1.00 0.00 C ATOM 30 C ALA A -2 1.903 30.984 2.278 1.00 0.00 C ATOM 31 O ALA A -2 1.679 30.198 3.199 1.00 0.00 O ATOM 32 CB ALA A -2 -0.234 32.266 2.582 1.00 0.00 C ATOM 0 H ALA A -2 2.008 33.770 0.906 1.00 0.00 H new ATOM 0 HA ALA A -2 1.722 32.984 2.955 1.00 0.00 H new ATOM 0 HB1 ALA A -2 -0.340 31.816 3.569 1.00 0.00 H new ATOM 0 HB2 ALA A -2 -0.661 33.269 2.593 1.00 0.00 H new ATOM 0 HB3 ALA A -2 -0.759 31.656 1.847 1.00 0.00 H new ATOM 38 N ASP A -1 2.757 30.739 1.295 1.00 0.00 N ATOM 39 CA ASP A -1 3.522 29.511 1.209 1.00 0.00 C ATOM 40 C ASP A -1 4.842 29.705 1.938 1.00 0.00 C ATOM 41 O ASP A -1 5.934 29.482 1.411 1.00 0.00 O ATOM 42 CB ASP A -1 3.734 29.137 -0.255 1.00 0.00 C ATOM 43 CG ASP A -1 4.471 27.825 -0.444 1.00 0.00 C ATOM 44 OD1 ASP A -1 4.364 26.938 0.434 1.00 0.00 O ATOM 45 OD2 ASP A -1 5.153 27.681 -1.480 1.00 0.00 O ATOM 0 H ASP A -1 2.937 31.392 0.532 1.00 0.00 H new ATOM 0 HA ASP A -1 2.983 28.690 1.682 1.00 0.00 H new ATOM 0 HB2 ASP A -1 2.765 29.075 -0.750 1.00 0.00 H new ATOM 0 HB3 ASP A -1 4.293 29.933 -0.748 1.00 0.00 H new ATOM 50 N CYS A 1 4.700 30.174 3.157 1.00 0.00 N ATOM 51 CA CYS A 1 5.807 30.456 4.036 1.00 0.00 C ATOM 52 C CYS A 1 5.337 30.327 5.480 1.00 0.00 C ATOM 53 O CYS A 1 4.152 30.492 5.771 1.00 0.00 O ATOM 54 CB CYS A 1 6.365 31.857 3.756 1.00 0.00 C ATOM 55 SG CYS A 1 5.185 32.997 2.947 1.00 0.00 S ATOM 0 H CYS A 1 3.790 30.374 3.572 1.00 0.00 H new ATOM 0 HA CYS A 1 6.611 29.741 3.861 1.00 0.00 H new ATOM 0 HB2 CYS A 1 6.690 32.299 4.698 1.00 0.00 H new ATOM 0 HB3 CYS A 1 7.249 31.763 3.126 1.00 0.00 H new ATOM 60 N MET A 2 6.254 30.027 6.380 1.00 0.00 N ATOM 61 CA MET A 2 5.882 29.785 7.785 1.00 0.00 C ATOM 62 C MET A 2 6.017 31.026 8.655 1.00 0.00 C ATOM 63 O MET A 2 6.785 31.924 8.363 1.00 0.00 O ATOM 64 CB MET A 2 6.737 28.678 8.401 1.00 0.00 C ATOM 65 CG MET A 2 8.231 28.912 8.223 1.00 0.00 C ATOM 66 SD MET A 2 9.238 27.927 9.343 1.00 0.00 S ATOM 67 CE MET A 2 10.889 28.397 8.832 1.00 0.00 C ATOM 0 H MET A 2 7.251 29.943 6.181 1.00 0.00 H new ATOM 0 HA MET A 2 4.834 29.488 7.760 1.00 0.00 H new ATOM 0 HB2 MET A 2 6.511 28.601 9.465 1.00 0.00 H new ATOM 0 HB3 MET A 2 6.468 27.724 7.948 1.00 0.00 H new ATOM 0 HG2 MET A 2 8.509 28.680 7.195 1.00 0.00 H new ATOM 0 HG3 MET A 2 8.449 29.968 8.382 1.00 0.00 H new ATOM 0 HE1 MET A 2 11.566 28.334 9.684 1.00 0.00 H new ATOM 0 HE2 MET A 2 11.232 27.724 8.046 1.00 0.00 H new ATOM 0 HE3 MET A 2 10.876 29.419 8.454 1.00 0.00 H new ATOM 77 N PHE A 3 5.257 31.044 9.740 1.00 0.00 N ATOM 78 CA PHE A 3 5.247 32.156 10.670 1.00 0.00 C ATOM 79 C PHE A 3 5.824 31.692 11.993 1.00 0.00 C ATOM 80 O PHE A 3 5.119 31.108 12.813 1.00 0.00 O ATOM 81 CB PHE A 3 3.817 32.669 10.871 1.00 0.00 C ATOM 82 CG PHE A 3 3.188 33.238 9.628 1.00 0.00 C ATOM 83 CD1 PHE A 3 2.562 32.411 8.708 1.00 0.00 C ATOM 84 CD2 PHE A 3 3.220 34.600 9.382 1.00 0.00 C ATOM 85 CE1 PHE A 3 1.983 32.931 7.568 1.00 0.00 C ATOM 86 CE2 PHE A 3 2.640 35.128 8.244 1.00 0.00 C ATOM 87 CZ PHE A 3 2.022 34.292 7.336 1.00 0.00 C ATOM 0 H PHE A 3 4.629 30.283 9.998 1.00 0.00 H new ATOM 0 HA PHE A 3 5.850 32.971 10.270 1.00 0.00 H new ATOM 0 HB2 PHE A 3 3.197 31.851 11.237 1.00 0.00 H new ATOM 0 HB3 PHE A 3 3.823 33.436 11.646 1.00 0.00 H new ATOM 0 HD1 PHE A 3 2.527 31.346 8.886 1.00 0.00 H new ATOM 0 HD2 PHE A 3 3.704 35.258 10.088 1.00 0.00 H new ATOM 0 HE1 PHE A 3 1.500 32.275 6.859 1.00 0.00 H new ATOM 0 HE2 PHE A 3 2.670 36.193 8.066 1.00 0.00 H new ATOM 0 HZ PHE A 3 1.569 34.702 6.445 1.00 0.00 H new ATOM 97 N GLY A 4 7.107 31.925 12.188 1.00 0.00 N ATOM 98 CA GLY A 4 7.775 31.382 13.325 1.00 0.00 C ATOM 99 C GLY A 4 8.003 29.910 13.131 1.00 0.00 C ATOM 100 O GLY A 4 8.791 29.513 12.264 1.00 0.00 O ATOM 0 H GLY A 4 7.694 32.485 11.570 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.728 31.890 13.474 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.180 31.551 14.222 1.00 0.00 H new ATOM 104 N ASN A 5 7.219 29.126 13.859 1.00 0.00 N ATOM 105 CA ASN A 5 7.332 27.672 13.878 1.00 0.00 C ATOM 106 C ASN A 5 6.705 27.073 12.631 1.00 0.00 C ATOM 107 O ASN A 5 7.166 26.063 12.116 1.00 0.00 O ATOM 108 CB ASN A 5 6.589 27.107 15.095 1.00 0.00 C ATOM 109 CG ASN A 5 7.150 27.555 16.429 1.00 0.00 C ATOM 110 OD1 ASN A 5 7.927 28.503 16.518 1.00 0.00 O ATOM 111 ND2 ASN A 5 6.702 26.907 17.488 1.00 0.00 N ATOM 0 H ASN A 5 6.478 29.485 14.460 1.00 0.00 H new ATOM 0 HA ASN A 5 8.391 27.418 13.922 1.00 0.00 H new ATOM 0 HB2 ASN A 5 5.542 27.403 15.036 1.00 0.00 H new ATOM 0 HB3 ASN A 5 6.616 26.018 15.050 1.00 0.00 H new ATOM 0 HD21 ASN A 5 7.000 27.189 18.422 1.00 0.00 H new ATOM 0 HD22 ASN A 5 6.058 26.125 17.372 1.00 0.00 H new ATOM 118 N GLY A 6 5.622 27.681 12.169 1.00 0.00 N ATOM 119 CA GLY A 6 4.928 27.150 11.018 1.00 0.00 C ATOM 120 C GLY A 6 3.573 26.616 11.405 1.00 0.00 C ATOM 121 O GLY A 6 2.952 25.849 10.669 1.00 0.00 O ATOM 0 H GLY A 6 5.215 28.527 12.569 1.00 0.00 H new ATOM 0 HA2 GLY A 6 4.814 27.930 10.265 1.00 0.00 H new ATOM 0 HA3 GLY A 6 5.521 26.355 10.566 1.00 0.00 H new ATOM 125 N LYS A 7 3.116 27.041 12.567 1.00 0.00 N ATOM 126 CA LYS A 7 1.821 26.645 13.085 1.00 0.00 C ATOM 127 C LYS A 7 0.719 27.309 12.271 1.00 0.00 C ATOM 128 O LYS A 7 -0.348 26.735 12.057 1.00 0.00 O ATOM 129 CB LYS A 7 1.729 27.058 14.546 1.00 0.00 C ATOM 130 CG LYS A 7 2.795 26.434 15.411 1.00 0.00 C ATOM 131 CD LYS A 7 2.678 26.901 16.846 1.00 0.00 C ATOM 132 CE LYS A 7 2.759 28.414 16.968 1.00 0.00 C ATOM 133 NZ LYS A 7 2.560 28.866 18.369 1.00 0.00 N ATOM 0 H LYS A 7 3.633 27.672 13.179 1.00 0.00 H new ATOM 0 HA LYS A 7 1.701 25.564 13.009 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.804 28.143 14.615 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.749 26.781 14.933 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.710 25.348 15.371 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.780 26.691 15.021 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.732 26.555 17.262 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.472 26.448 17.439 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.730 28.756 16.610 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.004 28.871 16.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.622 29.903 18.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.623 28.562 18.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.295 28.450 18.976 1.00 0.00 H new ATOM 147 N GLY A 8 1.000 28.534 11.839 1.00 0.00 N ATOM 148 CA GLY A 8 0.144 29.233 10.910 1.00 0.00 C ATOM 149 C GLY A 8 0.729 29.247 9.509 1.00 0.00 C ATOM 150 O GLY A 8 0.378 30.094 8.692 1.00 0.00 O ATOM 0 H GLY A 8 1.825 29.061 12.126 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.837 28.757 10.890 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -0.005 30.257 11.252 1.00 0.00 H new ATOM 154 N TYR A 9 1.651 28.326 9.243 1.00 0.00 N ATOM 155 CA TYR A 9 2.155 28.106 7.893 1.00 0.00 C ATOM 156 C TYR A 9 1.040 27.540 7.021 1.00 0.00 C ATOM 157 O TYR A 9 0.624 26.406 7.218 1.00 0.00 O ATOM 158 CB TYR A 9 3.329 27.119 7.932 1.00 0.00 C ATOM 159 CG TYR A 9 3.727 26.577 6.579 1.00 0.00 C ATOM 160 CD1 TYR A 9 3.726 27.384 5.454 1.00 0.00 C ATOM 161 CD2 TYR A 9 4.065 25.242 6.425 1.00 0.00 C ATOM 162 CE1 TYR A 9 4.053 26.880 4.216 1.00 0.00 C ATOM 163 CE2 TYR A 9 4.386 24.726 5.187 1.00 0.00 C ATOM 164 CZ TYR A 9 4.377 25.552 4.083 1.00 0.00 C ATOM 165 OH TYR A 9 4.666 25.046 2.835 1.00 0.00 O ATOM 0 H TYR A 9 2.065 27.718 9.949 1.00 0.00 H new ATOM 0 HA TYR A 9 2.497 29.053 7.477 1.00 0.00 H new ATOM 0 HB2 TYR A 9 4.190 27.614 8.381 1.00 0.00 H new ATOM 0 HB3 TYR A 9 3.066 26.285 8.582 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.464 28.427 5.550 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.077 24.595 7.289 1.00 0.00 H new ATOM 0 HE1 TYR A 9 4.055 27.527 3.351 1.00 0.00 H new ATOM 0 HE2 TYR A 9 4.643 23.682 5.083 1.00 0.00 H new ATOM 0 HH TYR A 9 4.451 24.090 2.812 1.00 0.00 H new ATOM 175 N ARG A 10 0.542 28.326 6.078 1.00 0.00 N ATOM 176 CA ARG A 10 -0.577 27.891 5.244 1.00 0.00 C ATOM 177 C ARG A 10 -0.126 27.762 3.788 1.00 0.00 C ATOM 178 O ARG A 10 -0.789 28.250 2.871 1.00 0.00 O ATOM 179 CB ARG A 10 -1.741 28.886 5.345 1.00 0.00 C ATOM 180 CG ARG A 10 -1.836 29.613 6.684 1.00 0.00 C ATOM 181 CD ARG A 10 -2.473 28.786 7.801 1.00 0.00 C ATOM 182 NE ARG A 10 -1.743 27.566 8.105 1.00 0.00 N ATOM 183 CZ ARG A 10 -1.796 26.956 9.282 1.00 0.00 C ATOM 184 NH1 ARG A 10 -2.674 27.346 10.203 1.00 0.00 N ATOM 185 NH2 ARG A 10 -0.977 25.948 9.533 1.00 0.00 N ATOM 0 H ARG A 10 0.889 29.262 5.869 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.918 26.919 5.600 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.641 29.625 4.550 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.675 28.353 5.168 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.835 29.912 6.994 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.414 30.527 6.549 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.538 29.396 8.702 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.493 28.529 7.516 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.159 27.158 7.375 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.311 28.118 10.006 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.710 26.873 11.106 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.310 25.644 8.824 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.013 25.475 10.436 1.00 0.00 H new ATOM 199 N GLY A 11 1.002 27.094 3.590 1.00 0.00 N ATOM 200 CA GLY A 11 1.616 27.034 2.276 1.00 0.00 C ATOM 201 C GLY A 11 1.325 25.749 1.530 1.00 0.00 C ATOM 202 O GLY A 11 0.346 25.057 1.826 1.00 0.00 O ATOM 0 H GLY A 11 1.506 26.590 4.319 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.265 27.877 1.681 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.695 27.146 2.383 1.00 0.00 H new ATOM 206 N LYS A 12 2.193 25.414 0.579 1.00 0.00 N ATOM 207 CA LYS A 12 1.931 24.334 -0.354 1.00 0.00 C ATOM 208 C LYS A 12 3.195 23.544 -0.649 1.00 0.00 C ATOM 209 O LYS A 12 3.239 22.772 -1.607 1.00 0.00 O ATOM 210 CB LYS A 12 1.388 24.933 -1.646 1.00 0.00 C ATOM 211 CG LYS A 12 2.340 25.944 -2.255 1.00 0.00 C ATOM 212 CD LYS A 12 1.631 26.856 -3.226 1.00 0.00 C ATOM 213 CE LYS A 12 1.223 26.125 -4.497 1.00 0.00 C ATOM 214 NZ LYS A 12 2.402 25.589 -5.231 1.00 0.00 N ATOM 0 H LYS A 12 3.088 25.882 0.438 1.00 0.00 H new ATOM 0 HA LYS A 12 1.205 23.651 0.087 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.201 24.134 -2.364 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.430 25.413 -1.447 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.797 26.538 -1.463 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.148 25.422 -2.768 1.00 0.00 H new ATOM 0 HD2 LYS A 12 0.746 27.276 -2.749 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.283 27.692 -3.481 1.00 0.00 H new ATOM 0 HE2 LYS A 12 0.549 25.306 -4.245 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.670 26.805 -5.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 2.132 25.375 -6.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 3.164 26.297 -5.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 2.735 24.720 -4.766 1.00 0.00 H new ATOM 228 N ARG A 13 4.226 23.745 0.157 1.00 0.00 N ATOM 229 CA ARG A 13 5.445 22.981 -0.005 1.00 0.00 C ATOM 230 C ARG A 13 5.131 21.528 0.316 1.00 0.00 C ATOM 231 O ARG A 13 4.402 21.252 1.260 1.00 0.00 O ATOM 232 CB ARG A 13 6.545 23.511 0.909 1.00 0.00 C ATOM 233 CG ARG A 13 6.841 24.998 0.752 1.00 0.00 C ATOM 234 CD ARG A 13 7.463 25.328 -0.596 1.00 0.00 C ATOM 235 NE ARG A 13 7.752 26.760 -0.724 1.00 0.00 N ATOM 236 CZ ARG A 13 8.510 27.286 -1.689 1.00 0.00 C ATOM 237 NH1 ARG A 13 9.042 26.510 -2.620 1.00 0.00 N ATOM 238 NH2 ARG A 13 8.706 28.598 -1.744 1.00 0.00 N ATOM 0 H ARG A 13 4.241 24.422 0.919 1.00 0.00 H new ATOM 0 HA ARG A 13 5.808 23.070 -1.029 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.263 23.318 1.944 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.460 22.950 0.717 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.917 25.564 0.871 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.514 25.317 1.547 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.384 24.758 -0.721 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.787 25.020 -1.394 1.00 0.00 H new ATOM 0 HE ARG A 13 7.349 27.393 -0.033 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.874 25.504 -2.603 1.00 0.00 H new ATOM 0 HH12 ARG A 13 9.620 26.918 -3.355 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.277 29.207 -1.048 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.286 28.997 -2.483 1.00 0.00 H new ATOM 252 N VAL A 14 5.644 20.607 -0.474 1.00 0.00 N ATOM 253 CA VAL A 14 5.224 19.208 -0.372 1.00 0.00 C ATOM 254 C VAL A 14 6.404 18.250 -0.465 1.00 0.00 C ATOM 255 O VAL A 14 6.295 17.152 -1.013 1.00 0.00 O ATOM 256 CB VAL A 14 4.192 18.869 -1.462 1.00 0.00 C ATOM 257 CG1 VAL A 14 2.825 19.408 -1.081 1.00 0.00 C ATOM 258 CG2 VAL A 14 4.622 19.451 -2.797 1.00 0.00 C ATOM 0 H VAL A 14 6.347 20.791 -1.190 1.00 0.00 H new ATOM 0 HA VAL A 14 4.766 19.084 0.610 1.00 0.00 H new ATOM 0 HB VAL A 14 4.132 17.784 -1.553 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.106 19.160 -1.862 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.507 18.960 -0.139 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.879 20.491 -0.968 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.882 19.203 -3.558 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.705 20.534 -2.712 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.588 19.034 -3.081 1.00 0.00 H new ATOM 268 N THR A 15 7.517 18.666 0.100 1.00 0.00 N ATOM 269 CA THR A 15 8.733 17.892 0.092 1.00 0.00 C ATOM 270 C THR A 15 9.526 18.217 1.336 1.00 0.00 C ATOM 271 O THR A 15 9.500 19.353 1.811 1.00 0.00 O ATOM 272 CB THR A 15 9.587 18.212 -1.140 1.00 0.00 C ATOM 273 OG1 THR A 15 9.129 19.409 -1.782 1.00 0.00 O ATOM 274 CG2 THR A 15 9.557 17.066 -2.117 1.00 0.00 C ATOM 0 H THR A 15 7.601 19.561 0.582 1.00 0.00 H new ATOM 0 HA THR A 15 8.471 16.834 0.064 1.00 0.00 H new ATOM 0 HB THR A 15 10.613 18.366 -0.805 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.689 19.595 -2.564 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.169 17.312 -2.985 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.950 16.169 -1.638 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.530 16.887 -2.436 1.00 0.00 H new ATOM 282 N THR A 16 10.227 17.237 1.854 1.00 0.00 N ATOM 283 CA THR A 16 10.996 17.421 3.059 1.00 0.00 C ATOM 284 C THR A 16 12.253 18.231 2.776 1.00 0.00 C ATOM 285 O THR A 16 12.456 18.704 1.654 1.00 0.00 O ATOM 286 CB THR A 16 11.391 16.065 3.644 1.00 0.00 C ATOM 287 OG1 THR A 16 12.105 15.324 2.651 1.00 0.00 O ATOM 288 CG2 THR A 16 10.161 15.285 4.071 1.00 0.00 C ATOM 0 H THR A 16 10.280 16.299 1.456 1.00 0.00 H new ATOM 0 HA THR A 16 10.378 17.962 3.776 1.00 0.00 H new ATOM 0 HB THR A 16 12.019 16.225 4.521 1.00 0.00 H new ATOM 0 HG1 THR A 16 11.480 15.011 1.964 1.00 0.00 H new ATOM 0 HG21 THR A 16 10.465 14.323 4.484 1.00 0.00 H new ATOM 0 HG22 THR A 16 9.617 15.850 4.828 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.516 15.121 3.208 1.00 0.00 H new ATOM 296 N VAL A 17 13.106 18.367 3.774 1.00 0.00 N ATOM 297 CA VAL A 17 14.370 19.053 3.600 1.00 0.00 C ATOM 298 C VAL A 17 15.278 18.278 2.662 1.00 0.00 C ATOM 299 O VAL A 17 16.234 18.816 2.105 1.00 0.00 O ATOM 300 CB VAL A 17 15.105 19.276 4.928 1.00 0.00 C ATOM 301 CG1 VAL A 17 14.459 20.402 5.717 1.00 0.00 C ATOM 302 CG2 VAL A 17 15.143 18.000 5.749 1.00 0.00 C ATOM 0 H VAL A 17 12.945 18.010 4.716 1.00 0.00 H new ATOM 0 HA VAL A 17 14.132 20.027 3.173 1.00 0.00 H new ATOM 0 HB VAL A 17 16.132 19.562 4.701 1.00 0.00 H new ATOM 0 HG11 VAL A 17 14.996 20.543 6.655 1.00 0.00 H new ATOM 0 HG12 VAL A 17 14.497 21.323 5.135 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.420 20.149 5.928 1.00 0.00 H new ATOM 0 HG21 VAL A 17 15.669 18.185 6.685 1.00 0.00 H new ATOM 0 HG22 VAL A 17 14.125 17.675 5.963 1.00 0.00 H new ATOM 0 HG23 VAL A 17 15.662 17.222 5.189 1.00 0.00 H new ATOM 312 N THR A 18 14.942 17.017 2.474 1.00 0.00 N ATOM 313 CA THR A 18 15.713 16.133 1.626 1.00 0.00 C ATOM 314 C THR A 18 15.140 16.153 0.223 1.00 0.00 C ATOM 315 O THR A 18 15.771 15.702 -0.735 1.00 0.00 O ATOM 316 CB THR A 18 15.648 14.692 2.152 1.00 0.00 C ATOM 317 OG1 THR A 18 14.315 14.191 1.979 1.00 0.00 O ATOM 318 CG2 THR A 18 16.010 14.642 3.627 1.00 0.00 C ATOM 0 H THR A 18 14.128 16.578 2.904 1.00 0.00 H new ATOM 0 HA THR A 18 16.748 16.475 1.623 1.00 0.00 H new ATOM 0 HB THR A 18 16.359 14.082 1.595 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.703 14.678 2.569 1.00 0.00 H new ATOM 0 HG21 THR A 18 15.958 13.612 3.980 1.00 0.00 H new ATOM 0 HG22 THR A 18 17.022 15.022 3.766 1.00 0.00 H new ATOM 0 HG23 THR A 18 15.310 15.256 4.194 1.00 0.00 H new ATOM 326 N GLY A 19 13.933 16.687 0.110 1.00 0.00 N ATOM 327 CA GLY A 19 13.235 16.641 -1.142 1.00 0.00 C ATOM 328 C GLY A 19 12.396 15.393 -1.256 1.00 0.00 C ATOM 329 O GLY A 19 11.907 15.071 -2.337 1.00 0.00 O ATOM 0 H GLY A 19 13.431 17.150 0.868 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.598 17.520 -1.238 1.00 0.00 H new ATOM 0 HA3 GLY A 19 13.952 16.676 -1.962 1.00 0.00 H new ATOM 333 N THR A 20 12.241 14.670 -0.149 1.00 0.00 N ATOM 334 CA THR A 20 11.342 13.535 -0.128 1.00 0.00 C ATOM 335 C THR A 20 9.902 14.028 -0.059 1.00 0.00 C ATOM 336 O THR A 20 9.537 14.750 0.864 1.00 0.00 O ATOM 337 CB THR A 20 11.619 12.602 1.064 1.00 0.00 C ATOM 338 OG1 THR A 20 12.943 12.051 0.964 1.00 0.00 O ATOM 339 CG2 THR A 20 10.597 11.479 1.108 1.00 0.00 C ATOM 0 H THR A 20 12.723 14.852 0.731 1.00 0.00 H new ATOM 0 HA THR A 20 11.506 12.966 -1.043 1.00 0.00 H new ATOM 0 HB THR A 20 11.542 13.184 1.983 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.595 12.704 1.294 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.808 10.828 1.957 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.597 11.901 1.213 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.652 10.901 0.186 1.00 0.00 H new ATOM 347 N PRO A 21 9.087 13.689 -1.068 1.00 0.00 N ATOM 348 CA PRO A 21 7.666 14.040 -1.101 1.00 0.00 C ATOM 349 C PRO A 21 6.946 13.775 0.208 1.00 0.00 C ATOM 350 O PRO A 21 6.957 12.649 0.725 1.00 0.00 O ATOM 351 CB PRO A 21 7.125 13.101 -2.154 1.00 0.00 C ATOM 352 CG PRO A 21 8.236 12.969 -3.125 1.00 0.00 C ATOM 353 CD PRO A 21 9.489 12.954 -2.288 1.00 0.00 C ATOM 0 HA PRO A 21 7.524 15.103 -1.294 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.853 12.136 -1.726 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.229 13.505 -2.626 1.00 0.00 H new ATOM 0 HG2 PRO A 21 8.142 12.054 -3.710 1.00 0.00 H new ATOM 0 HG3 PRO A 21 8.243 13.799 -3.831 1.00 0.00 H new ATOM 0 HD2 PRO A 21 9.809 11.937 -2.059 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.320 13.442 -2.797 1.00 0.00 H new ATOM 361 N CYS A 22 6.325 14.808 0.738 1.00 0.00 N ATOM 362 CA CYS A 22 5.483 14.658 1.908 1.00 0.00 C ATOM 363 C CYS A 22 4.268 13.811 1.573 1.00 0.00 C ATOM 364 O CYS A 22 3.663 13.952 0.510 1.00 0.00 O ATOM 365 CB CYS A 22 5.049 16.022 2.434 1.00 0.00 C ATOM 366 SG CYS A 22 6.443 17.074 2.925 1.00 0.00 S ATOM 0 H CYS A 22 6.387 15.760 0.378 1.00 0.00 H new ATOM 0 HA CYS A 22 6.057 14.156 2.687 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.469 16.533 1.665 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.389 15.881 3.290 1.00 0.00 H new ATOM 371 N GLN A 23 3.961 12.900 2.473 1.00 0.00 N ATOM 372 CA GLN A 23 2.783 12.063 2.377 1.00 0.00 C ATOM 373 C GLN A 23 1.550 12.900 2.565 1.00 0.00 C ATOM 374 O GLN A 23 1.616 14.015 3.086 1.00 0.00 O ATOM 375 CB GLN A 23 2.797 11.022 3.480 1.00 0.00 C ATOM 376 CG GLN A 23 1.809 9.889 3.296 1.00 0.00 C ATOM 377 CD GLN A 23 1.969 8.869 4.385 1.00 0.00 C ATOM 378 OE1 GLN A 23 2.790 7.984 4.268 1.00 0.00 O ATOM 379 NE2 GLN A 23 1.139 8.936 5.411 1.00 0.00 N ATOM 0 H GLN A 23 4.529 12.718 3.301 1.00 0.00 H new ATOM 0 HA GLN A 23 2.781 11.585 1.398 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.800 10.602 3.552 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.589 11.516 4.429 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.792 10.281 3.304 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.962 9.419 2.324 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.463 9.698 5.471 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.174 8.226 6.143 1.00 0.00 H new ATOM 388 N ASP A 24 0.427 12.336 2.201 1.00 0.00 N ATOM 389 CA ASP A 24 -0.826 12.994 2.399 1.00 0.00 C ATOM 390 C ASP A 24 -1.145 12.822 3.854 1.00 0.00 C ATOM 391 O ASP A 24 -1.095 11.709 4.387 1.00 0.00 O ATOM 392 CB ASP A 24 -1.910 12.350 1.553 1.00 0.00 C ATOM 393 CG ASP A 24 -3.098 13.252 1.295 1.00 0.00 C ATOM 394 OD1 ASP A 24 -3.981 13.337 2.173 1.00 0.00 O ATOM 395 OD2 ASP A 24 -3.176 13.844 0.199 1.00 0.00 O ATOM 0 H ASP A 24 0.361 11.417 1.764 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.774 14.044 2.110 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.481 12.047 0.598 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.255 11.443 2.049 1.00 0.00 H new ATOM 400 N TRP A 25 -1.416 13.918 4.495 1.00 0.00 N ATOM 401 CA TRP A 25 -1.717 13.920 5.913 1.00 0.00 C ATOM 402 C TRP A 25 -2.896 13.012 6.183 1.00 0.00 C ATOM 403 O TRP A 25 -3.005 12.405 7.243 1.00 0.00 O ATOM 404 CB TRP A 25 -2.024 15.332 6.386 1.00 0.00 C ATOM 405 CG TRP A 25 -0.929 16.297 6.090 1.00 0.00 C ATOM 406 CD1 TRP A 25 -0.791 17.039 4.966 1.00 0.00 C ATOM 407 CD2 TRP A 25 0.182 16.630 6.930 1.00 0.00 C ATOM 408 NE1 TRP A 25 0.332 17.809 5.052 1.00 0.00 N ATOM 409 CE2 TRP A 25 0.945 17.586 6.252 1.00 0.00 C ATOM 410 CE3 TRP A 25 0.596 16.217 8.189 1.00 0.00 C ATOM 411 CZ2 TRP A 25 2.103 18.140 6.796 1.00 0.00 C ATOM 412 CZ3 TRP A 25 1.743 16.758 8.734 1.00 0.00 C ATOM 413 CH2 TRP A 25 2.485 17.715 8.041 1.00 0.00 C ATOM 0 H TRP A 25 -1.437 14.840 4.060 1.00 0.00 H new ATOM 0 HA TRP A 25 -0.849 13.553 6.461 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -2.942 15.677 5.911 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -2.207 15.317 7.460 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -1.469 17.024 4.126 1.00 0.00 H new ATOM 0 HE1 TRP A 25 0.662 18.451 4.332 1.00 0.00 H new ATOM 0 HE3 TRP A 25 0.027 15.480 8.736 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 2.678 18.877 6.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 2.071 16.436 9.711 1.00 0.00 H new ATOM 0 HH2 TRP A 25 3.375 18.127 8.493 1.00 0.00 H new ATOM 424 N ALA A 26 -3.774 12.931 5.200 1.00 0.00 N ATOM 425 CA ALA A 26 -4.941 12.072 5.282 1.00 0.00 C ATOM 426 C ALA A 26 -4.611 10.603 5.007 1.00 0.00 C ATOM 427 O ALA A 26 -5.390 9.723 5.378 1.00 0.00 O ATOM 428 CB ALA A 26 -6.027 12.558 4.336 1.00 0.00 C ATOM 0 H ALA A 26 -3.699 13.455 4.328 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.306 12.130 6.308 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.895 11.902 4.410 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.316 13.574 4.605 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.650 12.547 3.313 1.00 0.00 H new ATOM 434 N ALA A 27 -3.462 10.312 4.383 1.00 0.00 N ATOM 435 CA ALA A 27 -3.194 8.969 3.944 1.00 0.00 C ATOM 436 C ALA A 27 -2.332 8.278 4.966 1.00 0.00 C ATOM 437 O ALA A 27 -1.553 8.917 5.643 1.00 0.00 O ATOM 438 CB ALA A 27 -2.513 8.982 2.588 1.00 0.00 C ATOM 0 H ALA A 27 -2.725 10.987 4.181 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.133 8.425 3.842 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.317 7.958 2.270 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.161 9.471 1.860 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.571 9.527 2.659 1.00 0.00 H new ATOM 444 N GLN A 28 -2.462 6.983 5.055 1.00 0.00 N ATOM 445 CA GLN A 28 -1.698 6.180 5.975 1.00 0.00 C ATOM 446 C GLN A 28 -0.658 5.495 5.139 1.00 0.00 C ATOM 447 O GLN A 28 -0.271 4.352 5.392 1.00 0.00 O ATOM 448 CB GLN A 28 -2.596 5.125 6.630 1.00 0.00 C ATOM 449 CG GLN A 28 -3.819 5.689 7.323 1.00 0.00 C ATOM 450 CD GLN A 28 -3.444 6.635 8.431 1.00 0.00 C ATOM 451 OE1 GLN A 28 -3.216 6.214 9.558 1.00 0.00 O ATOM 452 NE2 GLN A 28 -3.372 7.917 8.121 1.00 0.00 N ATOM 0 H GLN A 28 -3.112 6.445 4.482 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.261 6.787 6.768 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -2.920 4.417 5.867 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.008 4.565 7.356 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.442 6.209 6.595 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.417 4.872 7.728 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.570 8.223 7.169 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.118 8.601 8.834 1.00 0.00 H new ATOM 461 N GLU A 29 -0.226 6.208 4.115 1.00 0.00 N ATOM 462 CA GLU A 29 0.356 5.554 2.983 1.00 0.00 C ATOM 463 C GLU A 29 1.489 6.319 2.326 1.00 0.00 C ATOM 464 O GLU A 29 1.294 7.421 1.823 1.00 0.00 O ATOM 465 CB GLU A 29 -0.754 5.313 1.976 1.00 0.00 C ATOM 466 CG GLU A 29 -1.738 4.239 2.401 1.00 0.00 C ATOM 467 CD GLU A 29 -2.709 3.872 1.307 1.00 0.00 C ATOM 468 OE1 GLU A 29 -3.472 4.754 0.868 1.00 0.00 O ATOM 469 OE2 GLU A 29 -2.724 2.694 0.888 1.00 0.00 O ATOM 0 H GLU A 29 -0.271 7.225 4.054 1.00 0.00 H new ATOM 0 HA GLU A 29 0.808 4.627 3.336 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.295 6.245 1.814 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.311 5.031 1.021 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.188 3.349 2.706 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.293 4.585 3.273 1.00 0.00 H new ATOM 476 N PRO A 30 2.684 5.705 2.276 1.00 0.00 N ATOM 477 CA PRO A 30 2.918 4.359 2.808 1.00 0.00 C ATOM 478 C PRO A 30 3.300 4.365 4.289 1.00 0.00 C ATOM 479 O PRO A 30 3.999 3.480 4.772 1.00 0.00 O ATOM 480 CB PRO A 30 4.080 3.868 1.949 1.00 0.00 C ATOM 481 CG PRO A 30 4.863 5.096 1.624 1.00 0.00 C ATOM 482 CD PRO A 30 3.899 6.263 1.663 1.00 0.00 C ATOM 0 HA PRO A 30 2.028 3.732 2.763 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.689 3.142 2.487 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.722 3.376 1.044 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.670 5.239 2.342 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.324 5.010 0.640 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.298 7.090 2.250 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.700 6.649 0.663 1.00 0.00 H new ATOM 490 N HIS A 31 2.836 5.375 5.005 1.00 0.00 N ATOM 491 CA HIS A 31 3.124 5.513 6.418 1.00 0.00 C ATOM 492 C HIS A 31 1.824 5.699 7.164 1.00 0.00 C ATOM 493 O HIS A 31 1.143 6.726 7.037 1.00 0.00 O ATOM 494 CB HIS A 31 4.097 6.675 6.683 1.00 0.00 C ATOM 495 CG HIS A 31 5.465 6.427 6.129 1.00 0.00 C ATOM 496 ND1 HIS A 31 5.713 6.313 4.783 1.00 0.00 N ATOM 497 CD2 HIS A 31 6.656 6.239 6.744 1.00 0.00 C ATOM 498 CE1 HIS A 31 6.990 6.060 4.591 1.00 0.00 C ATOM 499 NE2 HIS A 31 7.592 6.013 5.762 1.00 0.00 N ATOM 0 H HIS A 31 2.252 6.119 4.623 1.00 0.00 H new ATOM 0 HA HIS A 31 3.617 4.609 6.775 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.693 7.588 6.245 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.171 6.843 7.757 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.838 6.262 7.808 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.466 5.915 3.632 1.00 0.00 H new ATOM 0 HE2 HIS A 31 8.585 5.838 5.915 1.00 0.00 H new ATOM 508 N ARG A 32 1.459 4.675 7.902 1.00 0.00 N ATOM 509 CA ARG A 32 0.212 4.672 8.630 1.00 0.00 C ATOM 510 C ARG A 32 0.326 5.596 9.824 1.00 0.00 C ATOM 511 O ARG A 32 1.167 5.393 10.699 1.00 0.00 O ATOM 512 CB ARG A 32 -0.165 3.249 9.078 1.00 0.00 C ATOM 513 CG ARG A 32 0.945 2.216 8.894 1.00 0.00 C ATOM 514 CD ARG A 32 2.108 2.442 9.852 1.00 0.00 C ATOM 515 NE ARG A 32 3.326 1.785 9.381 1.00 0.00 N ATOM 516 CZ ARG A 32 4.470 1.733 10.064 1.00 0.00 C ATOM 517 NH1 ARG A 32 4.548 2.238 11.290 1.00 0.00 N ATOM 518 NH2 ARG A 32 5.533 1.156 9.517 1.00 0.00 N ATOM 0 H ARG A 32 2.014 3.827 8.014 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.581 5.029 7.972 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.450 3.276 10.130 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.043 2.925 8.518 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.538 1.217 9.049 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.309 2.256 7.867 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.289 3.511 9.960 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.847 2.061 10.839 1.00 0.00 H new ATOM 0 HE ARG A 32 3.299 1.335 8.466 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.728 2.670 11.717 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.427 2.194 11.805 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.471 0.756 8.581 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.412 1.112 10.033 1.00 0.00 H new ATOM 532 N HIS A 33 -0.502 6.625 9.845 1.00 0.00 N ATOM 533 CA HIS A 33 -0.441 7.613 10.909 1.00 0.00 C ATOM 534 C HIS A 33 -1.824 8.193 11.170 1.00 0.00 C ATOM 535 O HIS A 33 -2.323 9.052 10.445 1.00 0.00 O ATOM 536 CB HIS A 33 0.565 8.726 10.581 1.00 0.00 C ATOM 537 CG HIS A 33 0.145 9.579 9.437 1.00 0.00 C ATOM 538 ND1 HIS A 33 -0.033 10.926 9.528 1.00 0.00 N ATOM 539 CD2 HIS A 33 -0.189 9.248 8.193 1.00 0.00 C ATOM 540 CE1 HIS A 33 -0.460 11.401 8.387 1.00 0.00 C ATOM 541 NE2 HIS A 33 -0.562 10.403 7.547 1.00 0.00 N ATOM 0 H HIS A 33 -1.221 6.799 9.142 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.095 7.115 11.815 1.00 0.00 H new ATOM 0 HB2 HIS A 33 0.703 9.353 11.462 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.532 8.277 10.355 1.00 0.00 H new ATOM 0 HD1 HIS A 33 0.141 11.483 10.364 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -0.171 8.255 7.768 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.688 12.435 8.175 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -0.867 10.471 6.576 1.00 0.00 H new ATOM 550 N SER A 34 -2.449 7.696 12.194 1.00 0.00 N ATOM 551 CA SER A 34 -3.747 8.194 12.615 1.00 0.00 C ATOM 552 C SER A 34 -3.575 9.458 13.462 1.00 0.00 C ATOM 553 O SER A 34 -4.379 9.749 14.347 1.00 0.00 O ATOM 554 CB SER A 34 -4.484 7.113 13.403 1.00 0.00 C ATOM 555 OG SER A 34 -4.591 5.916 12.642 1.00 0.00 O ATOM 0 H SER A 34 -2.085 6.935 12.768 1.00 0.00 H new ATOM 0 HA SER A 34 -4.338 8.448 11.735 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.955 6.911 14.334 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.479 7.468 13.673 1.00 0.00 H new ATOM 0 HG SER A 34 -5.065 5.237 13.166 1.00 0.00 H new ATOM 561 N ILE A 35 -2.515 10.205 13.163 1.00 0.00 N ATOM 562 CA ILE A 35 -2.142 11.383 13.903 1.00 0.00 C ATOM 563 C ILE A 35 -1.645 12.429 12.932 1.00 0.00 C ATOM 564 O ILE A 35 -1.050 12.094 11.896 1.00 0.00 O ATOM 565 CB ILE A 35 -1.042 11.094 14.948 1.00 0.00 C ATOM 566 CG1 ILE A 35 0.153 10.412 14.276 1.00 0.00 C ATOM 567 CG2 ILE A 35 -1.585 10.241 16.088 1.00 0.00 C ATOM 568 CD1 ILE A 35 1.298 10.103 15.220 1.00 0.00 C ATOM 0 H ILE A 35 -1.889 9.996 12.386 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.021 11.735 14.442 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.709 12.041 15.373 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.184 9.484 13.814 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.520 11.052 13.474 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.791 10.051 16.811 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.404 10.768 16.578 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.949 9.293 15.692 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.105 9.621 14.668 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.664 11.029 15.663 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.949 9.436 16.009 1.00 0.00 H new ATOM 580 N PHE A 36 -1.889 13.678 13.270 1.00 0.00 N ATOM 581 CA PHE A 36 -1.555 14.798 12.426 1.00 0.00 C ATOM 582 C PHE A 36 -2.124 14.618 11.027 1.00 0.00 C ATOM 583 O PHE A 36 -1.431 14.758 10.021 1.00 0.00 O ATOM 584 CB PHE A 36 -0.049 15.034 12.413 1.00 0.00 C ATOM 585 CG PHE A 36 0.536 15.063 13.794 1.00 0.00 C ATOM 586 CD1 PHE A 36 0.269 16.117 14.650 1.00 0.00 C ATOM 587 CD2 PHE A 36 1.337 14.028 14.240 1.00 0.00 C ATOM 588 CE1 PHE A 36 0.792 16.138 15.927 1.00 0.00 C ATOM 589 CE2 PHE A 36 1.863 14.042 15.518 1.00 0.00 C ATOM 590 CZ PHE A 36 1.590 15.098 16.361 1.00 0.00 C ATOM 0 H PHE A 36 -2.330 13.943 14.150 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.017 15.694 12.841 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.434 14.248 11.833 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.164 15.978 11.911 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.355 16.932 14.315 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.554 13.199 13.582 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.577 16.966 16.586 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.487 13.227 15.855 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.000 15.112 17.360 1.00 0.00 H new ATOM 600 N THR A 37 -3.391 14.254 10.996 1.00 0.00 N ATOM 601 CA THR A 37 -4.167 14.233 9.773 1.00 0.00 C ATOM 602 C THR A 37 -5.023 15.497 9.726 1.00 0.00 C ATOM 603 O THR A 37 -5.033 16.263 10.691 1.00 0.00 O ATOM 604 CB THR A 37 -5.091 12.989 9.710 1.00 0.00 C ATOM 605 OG1 THR A 37 -6.186 13.130 10.633 1.00 0.00 O ATOM 606 CG2 THR A 37 -4.319 11.717 10.035 1.00 0.00 C ATOM 0 H THR A 37 -3.913 13.963 11.823 1.00 0.00 H new ATOM 0 HA THR A 37 -3.485 14.189 8.924 1.00 0.00 H new ATOM 0 HB THR A 37 -5.479 12.915 8.694 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.838 13.185 11.548 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.991 10.860 9.984 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.511 11.588 9.315 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.902 11.791 11.039 1.00 0.00 H new ATOM 614 N PRO A 38 -5.763 15.748 8.638 1.00 0.00 N ATOM 615 CA PRO A 38 -6.723 16.851 8.608 1.00 0.00 C ATOM 616 C PRO A 38 -7.861 16.617 9.597 1.00 0.00 C ATOM 617 O PRO A 38 -8.579 17.540 9.979 1.00 0.00 O ATOM 618 CB PRO A 38 -7.268 16.838 7.178 1.00 0.00 C ATOM 619 CG PRO A 38 -6.329 15.983 6.394 1.00 0.00 C ATOM 620 CD PRO A 38 -5.721 15.016 7.367 1.00 0.00 C ATOM 0 HA PRO A 38 -6.262 17.799 8.883 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.281 16.436 7.149 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.314 17.847 6.768 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.856 15.454 5.600 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.559 16.589 5.917 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -6.288 14.087 7.419 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.701 14.752 7.088 1.00 0.00 H new ATOM 628 N GLU A 39 -7.997 15.365 10.018 1.00 0.00 N ATOM 629 CA GLU A 39 -9.092 14.949 10.879 1.00 0.00 C ATOM 630 C GLU A 39 -8.715 15.147 12.341 1.00 0.00 C ATOM 631 O GLU A 39 -9.537 15.558 13.161 1.00 0.00 O ATOM 632 CB GLU A 39 -9.406 13.476 10.622 1.00 0.00 C ATOM 633 CG GLU A 39 -9.503 13.128 9.147 1.00 0.00 C ATOM 634 CD GLU A 39 -9.411 11.640 8.896 1.00 0.00 C ATOM 635 OE1 GLU A 39 -8.289 11.089 8.965 1.00 0.00 O ATOM 636 OE2 GLU A 39 -10.453 11.009 8.632 1.00 0.00 O ATOM 0 H GLU A 39 -7.353 14.614 9.772 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.971 15.555 10.658 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.632 12.862 11.082 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.347 13.222 11.110 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.446 13.503 8.750 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.705 13.635 8.604 1.00 0.00 H new ATOM 643 N THR A 40 -7.461 14.866 12.655 1.00 0.00 N ATOM 644 CA THR A 40 -6.979 14.956 14.021 1.00 0.00 C ATOM 645 C THR A 40 -6.430 16.344 14.324 1.00 0.00 C ATOM 646 O THR A 40 -6.380 16.757 15.482 1.00 0.00 O ATOM 647 CB THR A 40 -5.905 13.890 14.298 1.00 0.00 C ATOM 648 OG1 THR A 40 -5.101 13.693 13.130 1.00 0.00 O ATOM 649 CG2 THR A 40 -6.545 12.572 14.707 1.00 0.00 C ATOM 0 H THR A 40 -6.757 14.572 11.978 1.00 0.00 H new ATOM 0 HA THR A 40 -7.829 14.773 14.679 1.00 0.00 H new ATOM 0 HB THR A 40 -5.277 14.241 15.117 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.493 12.939 13.275 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.767 11.833 14.898 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.135 12.719 15.612 1.00 0.00 H new ATOM 0 HG23 THR A 40 -7.193 12.218 13.905 1.00 0.00 H new ATOM 657 N ASN A 41 -6.033 17.070 13.284 1.00 0.00 N ATOM 658 CA ASN A 41 -5.504 18.418 13.462 1.00 0.00 C ATOM 659 C ASN A 41 -6.144 19.389 12.482 1.00 0.00 C ATOM 660 O ASN A 41 -5.483 19.927 11.602 1.00 0.00 O ATOM 661 CB ASN A 41 -3.987 18.429 13.283 1.00 0.00 C ATOM 662 CG ASN A 41 -3.278 17.649 14.363 1.00 0.00 C ATOM 663 OD1 ASN A 41 -3.089 16.444 14.262 1.00 0.00 O ATOM 664 ND2 ASN A 41 -2.868 18.343 15.402 1.00 0.00 N ATOM 0 H ASN A 41 -6.067 16.751 12.316 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.745 18.737 14.476 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -3.735 18.009 12.309 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.630 19.459 13.288 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -2.372 17.878 16.162 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -3.046 19.346 15.447 1.00 0.00 H new ATOM 671 N PRO A 42 -7.435 19.664 12.644 1.00 0.00 N ATOM 672 CA PRO A 42 -8.165 20.554 11.741 1.00 0.00 C ATOM 673 C PRO A 42 -7.775 22.023 11.917 1.00 0.00 C ATOM 674 O PRO A 42 -8.360 22.910 11.292 1.00 0.00 O ATOM 675 CB PRO A 42 -9.626 20.339 12.134 1.00 0.00 C ATOM 676 CG PRO A 42 -9.583 19.886 13.554 1.00 0.00 C ATOM 677 CD PRO A 42 -8.290 19.133 13.719 1.00 0.00 C ATOM 0 HA PRO A 42 -7.951 20.331 10.696 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -10.202 21.259 12.031 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -10.100 19.593 11.496 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -9.627 20.736 14.235 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -10.436 19.248 13.785 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -7.850 19.304 14.701 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -8.438 18.058 13.619 1.00 0.00 H new ATOM 685 N ARG A 43 -6.768 22.276 12.749 1.00 0.00 N ATOM 686 CA ARG A 43 -6.392 23.633 13.097 1.00 0.00 C ATOM 687 C ARG A 43 -5.226 24.120 12.251 1.00 0.00 C ATOM 688 O ARG A 43 -5.082 25.317 12.011 1.00 0.00 O ATOM 689 CB ARG A 43 -6.009 23.690 14.571 1.00 0.00 C ATOM 690 CG ARG A 43 -4.766 22.882 14.901 1.00 0.00 C ATOM 691 CD ARG A 43 -4.610 22.707 16.395 1.00 0.00 C ATOM 692 NE ARG A 43 -3.344 22.069 16.754 1.00 0.00 N ATOM 693 CZ ARG A 43 -3.246 21.011 17.562 1.00 0.00 C ATOM 694 NH1 ARG A 43 -4.346 20.403 17.995 1.00 0.00 N ATOM 695 NH2 ARG A 43 -2.052 20.542 17.909 1.00 0.00 N ATOM 0 H ARG A 43 -6.200 21.554 13.193 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.246 24.283 12.905 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -5.845 24.729 14.857 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -6.842 23.323 15.170 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.826 21.905 14.422 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.886 23.382 14.497 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.673 23.681 16.880 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -5.437 22.107 16.776 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.485 22.456 16.364 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -5.264 20.745 17.710 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.272 19.594 18.612 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.206 20.991 17.558 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.982 19.733 18.527 1.00 0.00 H new ATOM 709 N ALA A 44 -4.396 23.197 11.780 1.00 0.00 N ATOM 710 CA ALA A 44 -3.184 23.590 11.094 1.00 0.00 C ATOM 711 C ALA A 44 -3.359 23.515 9.587 1.00 0.00 C ATOM 712 O ALA A 44 -2.421 23.718 8.824 1.00 0.00 O ATOM 713 CB ALA A 44 -2.000 22.754 11.561 1.00 0.00 C ATOM 0 H ALA A 44 -4.541 22.191 11.861 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.975 24.629 11.347 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.101 23.068 11.031 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.857 22.893 12.633 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.194 21.701 11.354 1.00 0.00 H new ATOM 719 N GLY A 45 -4.585 23.212 9.178 1.00 0.00 N ATOM 720 CA GLY A 45 -4.931 23.214 7.771 1.00 0.00 C ATOM 721 C GLY A 45 -4.114 22.220 6.982 1.00 0.00 C ATOM 722 O GLY A 45 -3.583 22.543 5.923 1.00 0.00 O ATOM 0 H GLY A 45 -5.352 22.963 9.803 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.990 22.982 7.659 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.778 24.213 7.362 1.00 0.00 H new ATOM 726 N LEU A 46 -4.008 21.015 7.519 1.00 0.00 N ATOM 727 CA LEU A 46 -3.220 19.959 6.904 1.00 0.00 C ATOM 728 C LEU A 46 -3.912 19.462 5.645 1.00 0.00 C ATOM 729 O LEU A 46 -4.690 18.509 5.675 1.00 0.00 O ATOM 730 CB LEU A 46 -2.996 18.811 7.899 1.00 0.00 C ATOM 731 CG LEU A 46 -2.174 19.181 9.147 1.00 0.00 C ATOM 732 CD1 LEU A 46 -3.009 19.938 10.148 1.00 0.00 C ATOM 733 CD2 LEU A 46 -1.582 17.948 9.802 1.00 0.00 C ATOM 0 H LEU A 46 -4.464 20.742 8.390 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.245 20.358 6.626 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.967 18.435 8.221 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.494 17.994 7.381 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.360 19.824 8.814 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.400 20.185 11.018 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.380 20.856 9.692 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.852 19.321 10.459 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.007 18.243 10.680 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.385 17.275 10.103 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.928 17.439 9.094 1.00 0.00 H new ATOM 745 N GLU A 47 -3.632 20.129 4.542 1.00 0.00 N ATOM 746 CA GLU A 47 -4.294 19.848 3.293 1.00 0.00 C ATOM 747 C GLU A 47 -3.386 19.042 2.403 1.00 0.00 C ATOM 748 O GLU A 47 -2.173 19.246 2.409 1.00 0.00 O ATOM 749 CB GLU A 47 -4.665 21.148 2.598 1.00 0.00 C ATOM 750 CG GLU A 47 -5.787 21.002 1.592 1.00 0.00 C ATOM 751 CD GLU A 47 -6.081 22.290 0.855 1.00 0.00 C ATOM 752 OE1 GLU A 47 -6.834 23.133 1.387 1.00 0.00 O ATOM 753 OE2 GLU A 47 -5.565 22.460 -0.268 1.00 0.00 O ATOM 0 H GLU A 47 -2.941 20.877 4.491 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.201 19.278 3.494 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.956 21.881 3.350 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.784 21.543 2.092 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.525 20.227 0.871 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.689 20.668 2.105 1.00 0.00 H new ATOM 760 N LYS A 48 -3.991 18.158 1.627 1.00 0.00 N ATOM 761 CA LYS A 48 -3.265 17.285 0.718 1.00 0.00 C ATOM 762 C LYS A 48 -2.032 16.694 1.397 1.00 0.00 C ATOM 763 O LYS A 48 -2.133 15.853 2.287 1.00 0.00 O ATOM 764 CB LYS A 48 -2.854 18.055 -0.542 1.00 0.00 C ATOM 765 CG LYS A 48 -3.977 18.303 -1.549 1.00 0.00 C ATOM 766 CD LYS A 48 -5.231 18.868 -0.907 1.00 0.00 C ATOM 767 CE LYS A 48 -6.142 19.537 -1.924 1.00 0.00 C ATOM 768 NZ LYS A 48 -5.596 20.842 -2.383 1.00 0.00 N ATOM 0 H LYS A 48 -5.002 18.025 1.609 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.925 16.466 0.434 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.439 19.017 -0.241 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.056 17.505 -1.040 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.625 18.993 -2.316 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.222 17.367 -2.051 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.774 18.067 -0.406 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.951 19.591 -0.141 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.275 18.877 -2.781 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.127 19.690 -1.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.061 21.120 -3.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.773 21.567 -1.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.572 20.754 -2.541 1.00 0.00 H new ATOM 782 N ASN A 49 -0.874 17.196 1.010 1.00 0.00 N ATOM 783 CA ASN A 49 0.375 16.793 1.602 1.00 0.00 C ATOM 784 C ASN A 49 1.246 18.017 1.796 1.00 0.00 C ATOM 785 O ASN A 49 2.466 17.921 1.907 1.00 0.00 O ATOM 786 CB ASN A 49 1.075 15.752 0.724 1.00 0.00 C ATOM 787 CG ASN A 49 1.416 16.247 -0.670 1.00 0.00 C ATOM 788 OD1 ASN A 49 0.702 17.065 -1.254 1.00 0.00 O ATOM 789 ND2 ASN A 49 2.511 15.743 -1.222 1.00 0.00 N ATOM 0 H ASN A 49 -0.780 17.896 0.274 1.00 0.00 H new ATOM 0 HA ASN A 49 0.189 16.331 2.572 1.00 0.00 H new ATOM 0 HB2 ASN A 49 1.992 15.432 1.219 1.00 0.00 H new ATOM 0 HB3 ASN A 49 0.435 14.874 0.640 1.00 0.00 H new ATOM 0 HD21 ASN A 49 2.787 16.030 -2.161 1.00 0.00 H new ATOM 0 HD22 ASN A 49 3.077 15.068 -0.708 1.00 0.00 H new ATOM 796 N TYR A 50 0.595 19.176 1.846 1.00 0.00 N ATOM 797 CA TYR A 50 1.311 20.441 2.021 1.00 0.00 C ATOM 798 C TYR A 50 1.882 20.506 3.424 1.00 0.00 C ATOM 799 O TYR A 50 1.153 20.318 4.392 1.00 0.00 O ATOM 800 CB TYR A 50 0.390 21.644 1.812 1.00 0.00 C ATOM 801 CG TYR A 50 -0.442 21.588 0.554 1.00 0.00 C ATOM 802 CD1 TYR A 50 0.146 21.533 -0.702 1.00 0.00 C ATOM 803 CD2 TYR A 50 -1.824 21.601 0.629 1.00 0.00 C ATOM 804 CE1 TYR A 50 -0.624 21.492 -1.847 1.00 0.00 C ATOM 805 CE2 TYR A 50 -2.601 21.558 -0.506 1.00 0.00 C ATOM 806 CZ TYR A 50 -1.998 21.503 -1.742 1.00 0.00 C ATOM 807 OH TYR A 50 -2.770 21.457 -2.878 1.00 0.00 O ATOM 0 H TYR A 50 -0.418 19.268 1.769 1.00 0.00 H new ATOM 0 HA TYR A 50 2.106 20.479 1.276 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -0.277 21.727 2.670 1.00 0.00 H new ATOM 0 HB3 TYR A 50 0.996 22.550 1.791 1.00 0.00 H new ATOM 0 HD1 TYR A 50 1.223 21.522 -0.785 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.302 21.646 1.597 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.153 21.452 -2.818 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.678 21.567 -0.427 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.294 20.963 -3.577 1.00 0.00 H new ATOM 817 N CYS A 51 3.175 20.793 3.526 1.00 0.00 N ATOM 818 CA CYS A 51 3.875 20.790 4.797 1.00 0.00 C ATOM 819 C CYS A 51 3.150 21.632 5.831 1.00 0.00 C ATOM 820 O CYS A 51 2.511 22.631 5.494 1.00 0.00 O ATOM 821 CB CYS A 51 5.290 21.311 4.604 1.00 0.00 C ATOM 822 SG CYS A 51 6.284 20.309 3.464 1.00 0.00 S ATOM 0 H CYS A 51 3.763 21.034 2.728 1.00 0.00 H new ATOM 0 HA CYS A 51 3.908 19.764 5.164 1.00 0.00 H new ATOM 0 HB2 CYS A 51 5.244 22.334 4.230 1.00 0.00 H new ATOM 0 HB3 CYS A 51 5.790 21.348 5.572 1.00 0.00 H new ATOM 827 N ARG A 52 3.259 21.228 7.087 1.00 0.00 N ATOM 828 CA ARG A 52 2.556 21.885 8.180 1.00 0.00 C ATOM 829 C ARG A 52 3.294 21.681 9.481 1.00 0.00 C ATOM 830 O ARG A 52 4.169 20.828 9.572 1.00 0.00 O ATOM 831 CB ARG A 52 1.130 21.340 8.320 1.00 0.00 C ATOM 832 CG ARG A 52 0.157 21.935 7.326 1.00 0.00 C ATOM 833 CD ARG A 52 0.326 23.441 7.271 1.00 0.00 C ATOM 834 NE ARG A 52 -0.788 24.103 6.619 1.00 0.00 N ATOM 835 CZ ARG A 52 -0.886 24.295 5.300 1.00 0.00 C ATOM 836 NH1 ARG A 52 0.091 23.900 4.490 1.00 0.00 N ATOM 837 NH2 ARG A 52 -1.961 24.885 4.794 1.00 0.00 N ATOM 0 H ARG A 52 3.835 20.438 7.378 1.00 0.00 H new ATOM 0 HA ARG A 52 2.509 22.950 7.951 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.149 20.257 8.194 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.771 21.537 9.330 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.326 21.506 6.338 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.865 21.686 7.612 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.432 23.828 8.284 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.247 23.681 6.740 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.548 24.445 7.207 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.921 23.448 4.874 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.011 24.049 3.484 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.713 25.192 5.412 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -2.036 25.032 3.787 1.00 0.00 H new ATOM 851 N ASN A 53 2.962 22.471 10.486 1.00 0.00 N ATOM 852 CA ASN A 53 3.511 22.240 11.807 1.00 0.00 C ATOM 853 C ASN A 53 2.386 22.129 12.831 1.00 0.00 C ATOM 854 O ASN A 53 2.123 23.072 13.572 1.00 0.00 O ATOM 855 CB ASN A 53 4.470 23.362 12.200 1.00 0.00 C ATOM 856 CG ASN A 53 5.499 22.891 13.199 1.00 0.00 C ATOM 857 OD1 ASN A 53 5.341 21.833 13.809 1.00 0.00 O ATOM 858 ND2 ASN A 53 6.541 23.681 13.400 1.00 0.00 N ATOM 0 H ASN A 53 2.326 23.265 10.415 1.00 0.00 H new ATOM 0 HA ASN A 53 4.068 21.303 11.788 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.973 23.740 11.310 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.905 24.192 12.623 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.253 23.422 14.083 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.632 24.549 12.872 1.00 0.00 H new ATOM 865 N PRO A 54 1.693 20.974 12.878 1.00 0.00 N ATOM 866 CA PRO A 54 0.593 20.764 13.815 1.00 0.00 C ATOM 867 C PRO A 54 1.066 20.633 15.261 1.00 0.00 C ATOM 868 O PRO A 54 0.275 20.764 16.194 1.00 0.00 O ATOM 869 CB PRO A 54 -0.080 19.480 13.333 1.00 0.00 C ATOM 870 CG PRO A 54 0.934 18.773 12.502 1.00 0.00 C ATOM 871 CD PRO A 54 1.916 19.807 12.010 1.00 0.00 C ATOM 0 HA PRO A 54 -0.086 21.617 13.826 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.393 18.863 14.176 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.975 19.703 12.752 1.00 0.00 H new ATOM 0 HG2 PRO A 54 1.444 18.008 13.087 1.00 0.00 H new ATOM 0 HG3 PRO A 54 0.457 18.267 11.663 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.942 19.447 12.086 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.741 20.053 10.963 1.00 0.00 H new ATOM 879 N ASP A 55 2.357 20.377 15.433 1.00 0.00 N ATOM 880 CA ASP A 55 2.972 20.375 16.755 1.00 0.00 C ATOM 881 C ASP A 55 3.481 21.759 17.076 1.00 0.00 C ATOM 882 O ASP A 55 3.559 22.167 18.237 1.00 0.00 O ATOM 883 CB ASP A 55 4.158 19.407 16.827 1.00 0.00 C ATOM 884 CG ASP A 55 3.749 17.964 16.990 1.00 0.00 C ATOM 885 OD1 ASP A 55 3.302 17.593 18.100 1.00 0.00 O ATOM 886 OD2 ASP A 55 3.902 17.193 16.026 1.00 0.00 O ATOM 0 H ASP A 55 3.001 20.167 14.670 1.00 0.00 H new ATOM 0 HA ASP A 55 2.211 20.059 17.469 1.00 0.00 H new ATOM 0 HB2 ASP A 55 4.754 19.507 15.920 1.00 0.00 H new ATOM 0 HB3 ASP A 55 4.798 19.691 17.662 1.00 0.00 H new ATOM 891 N GLY A 56 3.808 22.479 16.019 1.00 0.00 N ATOM 892 CA GLY A 56 4.517 23.721 16.150 1.00 0.00 C ATOM 893 C GLY A 56 5.882 23.492 16.735 1.00 0.00 C ATOM 894 O GLY A 56 6.298 24.179 17.663 1.00 0.00 O ATOM 0 H GLY A 56 3.589 22.216 15.058 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.609 24.198 15.174 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.953 24.403 16.786 1.00 0.00 H new ATOM 898 N ASP A 57 6.559 22.494 16.186 1.00 0.00 N ATOM 899 CA ASP A 57 7.928 22.187 16.549 1.00 0.00 C ATOM 900 C ASP A 57 8.772 23.436 16.381 1.00 0.00 C ATOM 901 O ASP A 57 8.645 24.132 15.370 1.00 0.00 O ATOM 902 CB ASP A 57 8.477 21.082 15.640 1.00 0.00 C ATOM 903 CG ASP A 57 9.669 20.360 16.235 1.00 0.00 C ATOM 904 OD1 ASP A 57 10.723 20.996 16.417 1.00 0.00 O ATOM 905 OD2 ASP A 57 9.558 19.144 16.505 1.00 0.00 O ATOM 0 H ASP A 57 6.170 21.875 15.475 1.00 0.00 H new ATOM 0 HA ASP A 57 7.961 21.846 17.584 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.686 20.360 15.438 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.764 21.517 14.682 1.00 0.00 H new ATOM 910 N VAL A 58 9.631 23.715 17.350 1.00 0.00 N ATOM 911 CA VAL A 58 10.479 24.900 17.300 1.00 0.00 C ATOM 912 C VAL A 58 11.620 24.685 16.302 1.00 0.00 C ATOM 913 O VAL A 58 12.625 25.395 16.300 1.00 0.00 O ATOM 914 CB VAL A 58 11.050 25.248 18.697 1.00 0.00 C ATOM 915 CG1 VAL A 58 11.581 26.676 18.733 1.00 0.00 C ATOM 916 CG2 VAL A 58 9.996 25.039 19.777 1.00 0.00 C ATOM 0 H VAL A 58 9.760 23.138 18.181 1.00 0.00 H new ATOM 0 HA VAL A 58 9.866 25.739 16.972 1.00 0.00 H new ATOM 0 HB VAL A 58 11.884 24.575 18.895 1.00 0.00 H new ATOM 0 HG11 VAL A 58 11.976 26.893 19.726 1.00 0.00 H new ATOM 0 HG12 VAL A 58 12.375 26.788 17.995 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.773 27.371 18.504 1.00 0.00 H new ATOM 0 HG21 VAL A 58 10.418 25.289 20.750 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.138 25.681 19.577 1.00 0.00 H new ATOM 0 HG23 VAL A 58 9.677 23.997 19.777 1.00 0.00 H new ATOM 926 N GLY A 59 11.450 23.681 15.456 1.00 0.00 N ATOM 927 CA GLY A 59 12.396 23.416 14.410 1.00 0.00 C ATOM 928 C GLY A 59 11.854 23.868 13.081 1.00 0.00 C ATOM 929 O GLY A 59 12.612 24.111 12.142 1.00 0.00 O ATOM 0 H GLY A 59 10.658 23.039 15.483 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.334 23.931 14.621 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.619 22.350 14.375 1.00 0.00 H new ATOM 933 N GLY A 60 10.533 24.003 13.006 1.00 0.00 N ATOM 934 CA GLY A 60 9.916 24.426 11.776 1.00 0.00 C ATOM 935 C GLY A 60 8.886 23.432 11.315 1.00 0.00 C ATOM 936 O GLY A 60 8.720 22.382 11.942 1.00 0.00 O ATOM 0 H GLY A 60 9.887 23.826 13.775 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.448 25.400 11.917 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.678 24.547 11.006 1.00 0.00 H new ATOM 940 N PRO A 61 8.169 23.727 10.228 1.00 0.00 N ATOM 941 CA PRO A 61 7.127 22.854 9.727 1.00 0.00 C ATOM 942 C PRO A 61 7.700 21.585 9.135 1.00 0.00 C ATOM 943 O PRO A 61 8.867 21.523 8.740 1.00 0.00 O ATOM 944 CB PRO A 61 6.432 23.682 8.657 1.00 0.00 C ATOM 945 CG PRO A 61 7.470 24.627 8.199 1.00 0.00 C ATOM 946 CD PRO A 61 8.329 24.922 9.396 1.00 0.00 C ATOM 0 HA PRO A 61 6.451 22.529 10.517 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.074 23.056 7.839 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.566 24.207 9.060 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.062 24.194 7.393 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.020 25.540 7.809 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.370 25.080 9.115 1.00 0.00 H new ATOM 0 HD3 PRO A 61 7.999 25.821 9.916 1.00 0.00 H new ATOM 954 N TRP A 62 6.859 20.596 9.043 1.00 0.00 N ATOM 955 CA TRP A 62 7.278 19.269 8.706 1.00 0.00 C ATOM 956 C TRP A 62 6.161 18.575 7.971 1.00 0.00 C ATOM 957 O TRP A 62 5.189 19.207 7.547 1.00 0.00 O ATOM 958 CB TRP A 62 7.628 18.504 9.987 1.00 0.00 C ATOM 959 CG TRP A 62 6.514 18.511 10.987 1.00 0.00 C ATOM 960 CD1 TRP A 62 6.148 19.547 11.781 1.00 0.00 C ATOM 961 CD2 TRP A 62 5.618 17.441 11.292 1.00 0.00 C ATOM 962 NE1 TRP A 62 5.070 19.193 12.550 1.00 0.00 N ATOM 963 CE2 TRP A 62 4.734 17.906 12.276 1.00 0.00 C ATOM 964 CE3 TRP A 62 5.475 16.142 10.827 1.00 0.00 C ATOM 965 CZ2 TRP A 62 3.723 17.121 12.807 1.00 0.00 C ATOM 966 CZ3 TRP A 62 4.471 15.360 11.357 1.00 0.00 C ATOM 967 CH2 TRP A 62 3.605 15.851 12.335 1.00 0.00 C ATOM 0 H TRP A 62 5.856 20.690 9.201 1.00 0.00 H new ATOM 0 HA TRP A 62 8.160 19.305 8.067 1.00 0.00 H new ATOM 0 HB2 TRP A 62 7.877 17.473 9.733 1.00 0.00 H new ATOM 0 HB3 TRP A 62 8.517 18.945 10.437 1.00 0.00 H new ATOM 0 HD1 TRP A 62 6.635 20.511 11.804 1.00 0.00 H new ATOM 0 HE1 TRP A 62 4.596 19.799 13.220 1.00 0.00 H new ATOM 0 HE3 TRP A 62 6.135 15.752 10.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 3.055 17.503 13.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 4.352 14.345 11.008 1.00 0.00 H new ATOM 0 HH2 TRP A 62 2.827 15.211 12.724 1.00 0.00 H new ATOM 978 N CYS A 63 6.312 17.290 7.817 1.00 0.00 N ATOM 979 CA CYS A 63 5.326 16.472 7.165 1.00 0.00 C ATOM 980 C CYS A 63 5.666 15.019 7.411 1.00 0.00 C ATOM 981 O CYS A 63 6.638 14.717 8.094 1.00 0.00 O ATOM 982 CB CYS A 63 5.294 16.784 5.673 1.00 0.00 C ATOM 983 SG CYS A 63 6.847 16.419 4.796 1.00 0.00 S ATOM 0 H CYS A 63 7.130 16.775 8.143 1.00 0.00 H new ATOM 0 HA CYS A 63 4.335 16.680 7.569 1.00 0.00 H new ATOM 0 HB2 CYS A 63 4.488 16.214 5.212 1.00 0.00 H new ATOM 0 HB3 CYS A 63 5.055 17.839 5.540 1.00 0.00 H new ATOM 988 N TYR A 64 4.875 14.127 6.866 1.00 0.00 N ATOM 989 CA TYR A 64 5.200 12.717 6.900 1.00 0.00 C ATOM 990 C TYR A 64 5.779 12.369 5.564 1.00 0.00 C ATOM 991 O TYR A 64 5.396 12.966 4.571 1.00 0.00 O ATOM 992 CB TYR A 64 3.972 11.881 7.224 1.00 0.00 C ATOM 993 CG TYR A 64 3.664 11.872 8.699 1.00 0.00 C ATOM 994 CD1 TYR A 64 4.421 11.101 9.566 1.00 0.00 C ATOM 995 CD2 TYR A 64 2.632 12.629 9.227 1.00 0.00 C ATOM 996 CE1 TYR A 64 4.159 11.077 10.918 1.00 0.00 C ATOM 997 CE2 TYR A 64 2.362 12.614 10.583 1.00 0.00 C ATOM 998 CZ TYR A 64 3.131 11.835 11.422 1.00 0.00 C ATOM 999 OH TYR A 64 2.864 11.809 12.766 1.00 0.00 O ATOM 0 H TYR A 64 4.000 14.350 6.392 1.00 0.00 H new ATOM 0 HA TYR A 64 5.923 12.502 7.687 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.114 12.272 6.678 1.00 0.00 H new ATOM 0 HB3 TYR A 64 4.130 10.858 6.881 1.00 0.00 H new ATOM 0 HD1 TYR A 64 5.233 10.507 9.174 1.00 0.00 H new ATOM 0 HD2 TYR A 64 2.030 13.240 8.571 1.00 0.00 H new ATOM 0 HE1 TYR A 64 4.758 10.466 11.577 1.00 0.00 H new ATOM 0 HE2 TYR A 64 1.554 13.209 10.983 1.00 0.00 H new ATOM 0 HH TYR A 64 3.308 12.566 13.203 1.00 0.00 H new ATOM 1009 N THR A 65 6.714 11.453 5.512 1.00 0.00 N ATOM 1010 CA THR A 65 7.412 11.239 4.274 1.00 0.00 C ATOM 1011 C THR A 65 6.900 9.988 3.614 1.00 0.00 C ATOM 1012 O THR A 65 6.536 9.025 4.287 1.00 0.00 O ATOM 1013 CB THR A 65 8.937 11.123 4.475 1.00 0.00 C ATOM 1014 OG1 THR A 65 9.307 9.761 4.745 1.00 0.00 O ATOM 1015 CG2 THR A 65 9.404 12.017 5.612 1.00 0.00 C ATOM 0 H THR A 65 7.002 10.860 6.290 1.00 0.00 H new ATOM 0 HA THR A 65 7.226 12.107 3.641 1.00 0.00 H new ATOM 0 HB THR A 65 9.421 11.448 3.554 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.267 9.596 5.710 1.00 0.00 H new ATOM 0 HG21 THR A 65 10.483 11.917 5.734 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.159 13.054 5.383 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.906 11.721 6.535 1.00 0.00 H new ATOM 1023 N THR A 66 6.839 10.008 2.300 1.00 0.00 N ATOM 1024 CA THR A 66 6.580 8.798 1.559 1.00 0.00 C ATOM 1025 C THR A 66 7.866 7.965 1.436 1.00 0.00 C ATOM 1026 O THR A 66 7.952 7.051 0.621 1.00 0.00 O ATOM 1027 CB THR A 66 6.011 9.129 0.167 1.00 0.00 C ATOM 1028 OG1 THR A 66 6.869 10.065 -0.501 1.00 0.00 O ATOM 1029 CG2 THR A 66 4.608 9.714 0.280 1.00 0.00 C ATOM 0 H THR A 66 6.965 10.843 1.728 1.00 0.00 H new ATOM 0 HA THR A 66 5.838 8.210 2.099 1.00 0.00 H new ATOM 0 HB THR A 66 5.958 8.205 -0.409 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.751 10.955 -0.108 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.227 9.940 -0.716 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.951 8.992 0.765 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.642 10.629 0.872 1.00 0.00 H new ATOM 1037 N ASN A 67 8.847 8.275 2.289 1.00 0.00 N ATOM 1038 CA ASN A 67 10.156 7.632 2.263 1.00 0.00 C ATOM 1039 C ASN A 67 10.193 6.465 3.244 1.00 0.00 C ATOM 1040 O ASN A 67 9.928 6.645 4.430 1.00 0.00 O ATOM 1041 CB ASN A 67 11.220 8.668 2.642 1.00 0.00 C ATOM 1042 CG ASN A 67 12.643 8.197 2.471 1.00 0.00 C ATOM 1043 OD1 ASN A 67 12.939 7.007 2.493 1.00 0.00 O ATOM 1044 ND2 ASN A 67 13.541 9.150 2.333 1.00 0.00 N ATOM 0 H ASN A 67 8.751 8.982 3.018 1.00 0.00 H new ATOM 0 HA ASN A 67 10.353 7.245 1.263 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.071 9.561 2.035 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.070 8.960 3.681 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.528 8.911 2.239 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.250 10.127 2.320 1.00 0.00 H new ATOM 1051 N PRO A 68 10.544 5.256 2.775 1.00 0.00 N ATOM 1052 CA PRO A 68 10.594 4.058 3.626 1.00 0.00 C ATOM 1053 C PRO A 68 11.725 4.093 4.654 1.00 0.00 C ATOM 1054 O PRO A 68 11.962 3.120 5.376 1.00 0.00 O ATOM 1055 CB PRO A 68 10.802 2.916 2.630 1.00 0.00 C ATOM 1056 CG PRO A 68 11.456 3.552 1.452 1.00 0.00 C ATOM 1057 CD PRO A 68 10.908 4.952 1.377 1.00 0.00 C ATOM 0 HA PRO A 68 9.689 3.960 4.225 1.00 0.00 H new ATOM 0 HB2 PRO A 68 11.428 2.131 3.054 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.854 2.454 2.354 1.00 0.00 H new ATOM 0 HG2 PRO A 68 12.540 3.563 1.567 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.238 2.998 0.539 1.00 0.00 H new ATOM 0 HD2 PRO A 68 11.650 5.653 0.994 1.00 0.00 H new ATOM 0 HD3 PRO A 68 10.043 5.010 0.716 1.00 0.00 H new ATOM 1065 N ARG A 69 12.429 5.208 4.705 1.00 0.00 N ATOM 1066 CA ARG A 69 13.451 5.423 5.708 1.00 0.00 C ATOM 1067 C ARG A 69 12.842 5.963 6.994 1.00 0.00 C ATOM 1068 O ARG A 69 12.961 5.354 8.054 1.00 0.00 O ATOM 1069 CB ARG A 69 14.486 6.411 5.188 1.00 0.00 C ATOM 1070 CG ARG A 69 15.375 5.853 4.093 1.00 0.00 C ATOM 1071 CD ARG A 69 16.221 4.698 4.597 1.00 0.00 C ATOM 1072 NE ARG A 69 17.060 5.079 5.733 1.00 0.00 N ATOM 1073 CZ ARG A 69 18.315 4.673 5.901 1.00 0.00 C ATOM 1074 NH1 ARG A 69 18.922 3.963 4.959 1.00 0.00 N ATOM 1075 NH2 ARG A 69 18.972 5.011 7.003 1.00 0.00 N ATOM 0 H ARG A 69 12.309 5.985 4.056 1.00 0.00 H new ATOM 0 HA ARG A 69 13.928 4.466 5.920 1.00 0.00 H new ATOM 0 HB2 ARG A 69 13.972 7.295 4.810 1.00 0.00 H new ATOM 0 HB3 ARG A 69 15.112 6.737 6.019 1.00 0.00 H new ATOM 0 HG2 ARG A 69 14.759 5.517 3.259 1.00 0.00 H new ATOM 0 HG3 ARG A 69 16.024 6.642 3.713 1.00 0.00 H new ATOM 0 HD2 ARG A 69 15.570 3.874 4.889 1.00 0.00 H new ATOM 0 HD3 ARG A 69 16.853 4.333 3.787 1.00 0.00 H new ATOM 0 HE ARG A 69 16.657 5.694 6.440 1.00 0.00 H new ATOM 0 HH11 ARG A 69 18.426 3.726 4.100 1.00 0.00 H new ATOM 0 HH12 ARG A 69 19.885 3.654 5.094 1.00 0.00 H new ATOM 0 HH21 ARG A 69 18.514 5.579 7.716 1.00 0.00 H new ATOM 0 HH22 ARG A 69 19.935 4.703 7.138 1.00 0.00 H new ATOM 1089 N LYS A 70 12.174 7.098 6.882 1.00 0.00 N ATOM 1090 CA LYS A 70 11.683 7.809 8.048 1.00 0.00 C ATOM 1091 C LYS A 70 10.175 7.993 7.971 1.00 0.00 C ATOM 1092 O LYS A 70 9.577 7.919 6.895 1.00 0.00 O ATOM 1093 CB LYS A 70 12.371 9.173 8.141 1.00 0.00 C ATOM 1094 CG LYS A 70 11.909 10.148 7.073 1.00 0.00 C ATOM 1095 CD LYS A 70 13.061 10.939 6.486 1.00 0.00 C ATOM 1096 CE LYS A 70 13.815 11.719 7.557 1.00 0.00 C ATOM 1097 NZ LYS A 70 14.863 12.605 6.978 1.00 0.00 N ATOM 0 H LYS A 70 11.959 7.548 5.992 1.00 0.00 H new ATOM 0 HA LYS A 70 11.911 7.223 8.938 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.180 9.603 9.124 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.449 9.036 8.057 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.403 9.601 6.278 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.179 10.835 7.501 1.00 0.00 H new ATOM 0 HD2 LYS A 70 13.747 10.260 5.980 1.00 0.00 H new ATOM 0 HD3 LYS A 70 12.682 11.629 5.733 1.00 0.00 H new ATOM 0 HE2 LYS A 70 13.109 12.321 8.130 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.277 11.020 8.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.302 13.165 7.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.589 12.025 6.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.431 13.245 6.282 1.00 0.00 H new ATOM 1111 N LEU A 71 9.577 8.263 9.111 1.00 0.00 N ATOM 1112 CA LEU A 71 8.137 8.428 9.203 1.00 0.00 C ATOM 1113 C LEU A 71 7.769 9.862 8.888 1.00 0.00 C ATOM 1114 O LEU A 71 6.860 10.126 8.102 1.00 0.00 O ATOM 1115 CB LEU A 71 7.653 8.041 10.606 1.00 0.00 C ATOM 1116 CG LEU A 71 6.149 8.192 10.861 1.00 0.00 C ATOM 1117 CD1 LEU A 71 5.355 7.215 10.014 1.00 0.00 C ATOM 1118 CD2 LEU A 71 5.838 7.989 12.335 1.00 0.00 C ATOM 0 H LEU A 71 10.069 8.374 9.997 1.00 0.00 H new ATOM 0 HA LEU A 71 7.650 7.774 8.480 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.931 7.004 10.792 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.188 8.650 11.335 1.00 0.00 H new ATOM 0 HG LEU A 71 5.857 9.203 10.578 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.291 7.342 10.213 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.552 7.405 8.959 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.651 6.195 10.261 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.766 8.100 12.499 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.151 6.990 12.639 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.374 8.732 12.926 1.00 0.00 H new ATOM 1130 N TYR A 72 8.511 10.787 9.468 1.00 0.00 N ATOM 1131 CA TYR A 72 8.275 12.192 9.232 1.00 0.00 C ATOM 1132 C TYR A 72 9.598 12.933 9.191 1.00 0.00 C ATOM 1133 O TYR A 72 10.614 12.445 9.690 1.00 0.00 O ATOM 1134 CB TYR A 72 7.346 12.783 10.303 1.00 0.00 C ATOM 1135 CG TYR A 72 8.031 13.284 11.558 1.00 0.00 C ATOM 1136 CD1 TYR A 72 8.298 12.435 12.626 1.00 0.00 C ATOM 1137 CD2 TYR A 72 8.382 14.625 11.682 1.00 0.00 C ATOM 1138 CE1 TYR A 72 8.892 12.912 13.782 1.00 0.00 C ATOM 1139 CE2 TYR A 72 8.981 15.103 12.826 1.00 0.00 C ATOM 1140 CZ TYR A 72 9.232 14.247 13.873 1.00 0.00 C ATOM 1141 OH TYR A 72 9.812 14.736 15.018 1.00 0.00 O ATOM 0 H TYR A 72 9.282 10.587 10.106 1.00 0.00 H new ATOM 0 HA TYR A 72 7.777 12.307 8.269 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.789 13.609 9.860 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.618 12.023 10.586 1.00 0.00 H new ATOM 0 HD1 TYR A 72 8.039 11.389 12.553 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.181 15.303 10.866 1.00 0.00 H new ATOM 0 HE1 TYR A 72 9.088 12.244 14.608 1.00 0.00 H new ATOM 0 HE2 TYR A 72 9.253 16.146 12.901 1.00 0.00 H new ATOM 0 HH TYR A 72 9.987 15.694 14.912 1.00 0.00 H new ATOM 1151 N ASP A 73 9.574 14.097 8.582 1.00 0.00 N ATOM 1152 CA ASP A 73 10.769 14.909 8.409 1.00 0.00 C ATOM 1153 C ASP A 73 10.351 16.360 8.278 1.00 0.00 C ATOM 1154 O ASP A 73 9.166 16.653 8.173 1.00 0.00 O ATOM 1155 CB ASP A 73 11.531 14.453 7.156 1.00 0.00 C ATOM 1156 CG ASP A 73 12.932 15.029 7.035 1.00 0.00 C ATOM 1157 OD1 ASP A 73 13.418 15.658 7.995 1.00 0.00 O ATOM 1158 OD2 ASP A 73 13.570 14.815 5.982 1.00 0.00 O ATOM 0 H ASP A 73 8.728 14.512 8.191 1.00 0.00 H new ATOM 0 HA ASP A 73 11.429 14.797 9.269 1.00 0.00 H new ATOM 0 HB2 ASP A 73 11.597 13.365 7.160 1.00 0.00 H new ATOM 0 HB3 ASP A 73 10.957 14.734 6.273 1.00 0.00 H new ATOM 1163 N TYR A 74 11.313 17.255 8.268 1.00 0.00 N ATOM 1164 CA TYR A 74 11.027 18.679 8.191 1.00 0.00 C ATOM 1165 C TYR A 74 11.041 19.132 6.748 1.00 0.00 C ATOM 1166 O TYR A 74 11.670 18.505 5.906 1.00 0.00 O ATOM 1167 CB TYR A 74 12.066 19.480 8.975 1.00 0.00 C ATOM 1168 CG TYR A 74 12.039 19.232 10.468 1.00 0.00 C ATOM 1169 CD1 TYR A 74 12.775 18.196 11.029 1.00 0.00 C ATOM 1170 CD2 TYR A 74 11.281 20.034 11.321 1.00 0.00 C ATOM 1171 CE1 TYR A 74 12.758 17.961 12.389 1.00 0.00 C ATOM 1172 CE2 TYR A 74 11.261 19.803 12.683 1.00 0.00 C ATOM 1173 CZ TYR A 74 12.000 18.766 13.210 1.00 0.00 C ATOM 1174 OH TYR A 74 11.982 18.533 14.568 1.00 0.00 O ATOM 0 H TYR A 74 12.306 17.026 8.312 1.00 0.00 H new ATOM 0 HA TYR A 74 10.041 18.852 8.623 1.00 0.00 H new ATOM 0 HB2 TYR A 74 13.058 19.238 8.595 1.00 0.00 H new ATOM 0 HB3 TYR A 74 11.905 20.542 8.791 1.00 0.00 H new ATOM 0 HD1 TYR A 74 13.372 17.563 10.389 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.701 20.848 10.911 1.00 0.00 H new ATOM 0 HE1 TYR A 74 13.336 17.150 12.807 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.669 20.432 13.331 1.00 0.00 H new ATOM 0 HH TYR A 74 12.158 19.370 15.046 1.00 0.00 H new ATOM 1184 N CYS A 75 10.337 20.214 6.470 1.00 0.00 N ATOM 1185 CA CYS A 75 10.306 20.786 5.135 1.00 0.00 C ATOM 1186 C CYS A 75 11.149 22.052 5.093 1.00 0.00 C ATOM 1187 O CYS A 75 11.596 22.544 6.128 1.00 0.00 O ATOM 1188 CB CYS A 75 8.872 21.106 4.734 1.00 0.00 C ATOM 1189 SG CYS A 75 7.794 19.653 4.639 1.00 0.00 S ATOM 0 H CYS A 75 9.775 20.718 7.156 1.00 0.00 H new ATOM 0 HA CYS A 75 10.716 20.060 4.432 1.00 0.00 H new ATOM 0 HB2 CYS A 75 8.453 21.811 5.452 1.00 0.00 H new ATOM 0 HB3 CYS A 75 8.879 21.605 3.765 1.00 0.00 H new ATOM 1194 N ASP A 76 11.347 22.584 3.899 1.00 0.00 N ATOM 1195 CA ASP A 76 12.166 23.770 3.723 1.00 0.00 C ATOM 1196 C ASP A 76 11.318 24.928 3.206 1.00 0.00 C ATOM 1197 O ASP A 76 11.532 25.438 2.107 1.00 0.00 O ATOM 1198 CB ASP A 76 13.329 23.486 2.765 1.00 0.00 C ATOM 1199 CG ASP A 76 14.308 24.643 2.677 1.00 0.00 C ATOM 1200 OD1 ASP A 76 14.974 24.938 3.693 1.00 0.00 O ATOM 1201 OD2 ASP A 76 14.412 25.266 1.600 1.00 0.00 O ATOM 0 H ASP A 76 10.951 22.212 3.036 1.00 0.00 H new ATOM 0 HA ASP A 76 12.581 24.049 4.691 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.857 22.592 3.096 1.00 0.00 H new ATOM 0 HB3 ASP A 76 12.933 23.273 1.772 1.00 0.00 H new ATOM 1206 N VAL A 77 10.323 25.318 3.988 1.00 0.00 N ATOM 1207 CA VAL A 77 9.519 26.474 3.646 1.00 0.00 C ATOM 1208 C VAL A 77 10.008 27.702 4.400 1.00 0.00 C ATOM 1209 O VAL A 77 10.195 27.676 5.616 1.00 0.00 O ATOM 1210 CB VAL A 77 8.014 26.244 3.899 1.00 0.00 C ATOM 1211 CG1 VAL A 77 7.758 25.662 5.265 1.00 0.00 C ATOM 1212 CG2 VAL A 77 7.238 27.531 3.725 1.00 0.00 C ATOM 0 H VAL A 77 10.057 24.853 4.856 1.00 0.00 H new ATOM 0 HA VAL A 77 9.637 26.641 2.575 1.00 0.00 H new ATOM 0 HB VAL A 77 7.670 25.521 3.159 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.687 25.516 5.403 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.270 24.704 5.354 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.132 26.345 6.028 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.180 27.345 3.908 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.604 28.275 4.433 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.371 27.901 2.708 1.00 0.00 H new ATOM 1222 N PRO A 78 10.230 28.786 3.651 1.00 0.00 N ATOM 1223 CA PRO A 78 10.791 30.037 4.167 1.00 0.00 C ATOM 1224 C PRO A 78 9.922 30.703 5.202 1.00 0.00 C ATOM 1225 O PRO A 78 8.723 30.444 5.310 1.00 0.00 O ATOM 1226 CB PRO A 78 10.881 30.921 2.917 1.00 0.00 C ATOM 1227 CG PRO A 78 9.888 30.340 1.968 1.00 0.00 C ATOM 1228 CD PRO A 78 9.945 28.868 2.211 1.00 0.00 C ATOM 0 HA PRO A 78 11.741 29.864 4.673 1.00 0.00 H new ATOM 0 HB2 PRO A 78 10.646 31.960 3.149 1.00 0.00 H new ATOM 0 HB3 PRO A 78 11.886 30.908 2.495 1.00 0.00 H new ATOM 0 HG2 PRO A 78 8.888 30.733 2.152 1.00 0.00 H new ATOM 0 HG3 PRO A 78 10.140 30.581 0.935 1.00 0.00 H new ATOM 0 HD2 PRO A 78 9.004 28.379 1.956 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.724 28.390 1.617 1.00 0.00 H new ATOM 1236 N GLN A 79 10.556 31.567 5.960 1.00 0.00 N ATOM 1237 CA GLN A 79 9.893 32.317 6.986 1.00 0.00 C ATOM 1238 C GLN A 79 9.063 33.430 6.364 1.00 0.00 C ATOM 1239 O GLN A 79 9.595 34.372 5.778 1.00 0.00 O ATOM 1240 CB GLN A 79 10.920 32.887 7.958 1.00 0.00 C ATOM 1241 CG GLN A 79 10.296 33.678 9.072 1.00 0.00 C ATOM 1242 CD GLN A 79 9.338 32.843 9.883 1.00 0.00 C ATOM 1243 OE1 GLN A 79 8.324 33.352 10.330 1.00 0.00 O ATOM 1244 NE2 GLN A 79 9.654 31.554 10.064 1.00 0.00 N ATOM 0 H GLN A 79 11.553 31.766 5.877 1.00 0.00 H new ATOM 0 HA GLN A 79 9.224 31.657 7.538 1.00 0.00 H new ATOM 0 HB2 GLN A 79 11.504 32.070 8.382 1.00 0.00 H new ATOM 0 HB3 GLN A 79 11.615 33.525 7.412 1.00 0.00 H new ATOM 0 HG2 GLN A 79 11.078 34.069 9.723 1.00 0.00 H new ATOM 0 HG3 GLN A 79 9.768 34.537 8.657 1.00 0.00 H new ATOM 0 HE21 GLN A 79 10.516 31.180 9.667 1.00 0.00 H new ATOM 0 HE22 GLN A 79 9.033 30.947 10.598 1.00 0.00 H new ATOM 1253 N CYS A 80 7.758 33.286 6.478 1.00 0.00 N ATOM 1254 CA CYS A 80 6.822 34.266 5.981 1.00 0.00 C ATOM 1255 C CYS A 80 6.820 35.461 6.917 1.00 0.00 C ATOM 1256 O CYS A 80 6.822 36.615 6.486 1.00 0.00 O ATOM 1257 CB CYS A 80 5.423 33.660 5.907 1.00 0.00 C ATOM 1258 SG CYS A 80 4.461 34.161 4.448 1.00 0.00 S ATOM 0 H CYS A 80 7.318 32.480 6.921 1.00 0.00 H new ATOM 0 HA CYS A 80 7.117 34.582 4.981 1.00 0.00 H new ATOM 0 HB2 CYS A 80 5.511 32.574 5.913 1.00 0.00 H new ATOM 0 HB3 CYS A 80 4.871 33.941 6.804 1.00 0.00 H new ATOM 1263 N ALA A 81 6.845 35.165 8.214 1.00 0.00 N ATOM 1264 CA ALA A 81 6.892 36.209 9.231 1.00 0.00 C ATOM 1265 C ALA A 81 8.329 36.678 9.448 1.00 0.00 C ATOM 1266 O ALA A 81 8.849 36.642 10.565 1.00 0.00 O ATOM 1267 CB ALA A 81 6.286 35.718 10.539 1.00 0.00 C ATOM 0 H ALA A 81 6.834 34.214 8.583 1.00 0.00 H new ATOM 0 HA ALA A 81 6.301 37.055 8.880 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.332 36.514 11.283 1.00 0.00 H new ATOM 0 HB2 ALA A 81 5.246 35.435 10.375 1.00 0.00 H new ATOM 0 HB3 ALA A 81 6.845 34.854 10.897 1.00 0.00 H new ATOM 1273 N ALA A 82 8.967 37.092 8.363 1.00 0.00 N ATOM 1274 CA ALA A 82 10.330 37.592 8.413 1.00 0.00 C ATOM 1275 C ALA A 82 10.333 39.110 8.459 1.00 0.00 C ATOM 1276 O ALA A 82 10.558 39.669 9.553 1.00 0.00 O ATOM 1277 CB ALA A 82 11.122 37.094 7.213 1.00 0.00 C ATOM 1278 OXT ALA A 82 10.072 39.739 7.412 1.00 0.00 O ATOM 0 H ALA A 82 8.556 37.090 7.429 1.00 0.00 H new ATOM 0 HA ALA A 82 10.805 37.217 9.319 1.00 0.00 H new ATOM 0 HB1 ALA A 82 12.141 37.477 7.265 1.00 0.00 H new ATOM 0 HB2 ALA A 82 11.144 36.004 7.218 1.00 0.00 H new ATOM 0 HB3 ALA A 82 10.650 37.443 6.295 1.00 0.00 H new TER 1284 ALA A 82