USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 632 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 20 TYR OH : rot 23:sc= -0.278 USER MOD Set 1.2: A 70 THR OG1 : rot 49:sc= -0.121 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 146:sc= 0.768 (180deg=0.183) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0198 USER MOD Single : A 5 GLN : amide:sc= -1.97! C(o=-2!,f=-3.2!) USER MOD Single : A 6 THR OG1 : rot -104:sc= 0.449 USER MOD Single : A 17 THR OG1 : rot 75:sc= 1.4 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 166:sc= -7.01! (180deg=-8!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -61:sc= 1.33 USER MOD Single : A 29 THR OG1 : rot 100:sc= -3! USER MOD Single : A 35 LYS NZ :NH3+ 148:sc= -0.224 (180deg=-1.83!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0554) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -77:sc= 0.647 USER MOD Single : A 56 ASN : amide:sc= -0.0358 K(o=-0.036,f=-1.4!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.953 K(o=-0.95,f=-2.7!) USER MOD Single : A 76 MET CE :methyl 158:sc= 0 (180deg=-0.87) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.188 USER MOD Single : A 81 THR OG1 : rot 56:sc= 0.303 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.698 -1.787 -1.361 1.00 42.53 N ATOM 2 CA MET A 1 2.349 -0.378 -1.214 1.00 73.42 C ATOM 3 C MET A 1 1.588 0.124 -2.437 1.00 63.34 C ATOM 4 O MET A 1 1.791 -0.364 -3.549 1.00 34.21 O ATOM 5 CB MET A 1 3.609 0.462 -1.002 1.00 41.51 C ATOM 6 CG MET A 1 4.264 0.246 0.353 1.00 75.44 C ATOM 7 SD MET A 1 5.419 -1.138 0.352 1.00 24.21 S ATOM 8 CE MET A 1 6.785 -0.439 1.277 1.00 71.14 C ATOM 0 H1 MET A 1 3.615 -1.967 -0.904 1.00 42.53 H new ATOM 0 H2 MET A 1 1.966 -2.375 -0.913 1.00 42.53 H new ATOM 0 H3 MET A 1 2.762 -2.025 -2.371 1.00 42.53 H new ATOM 0 HA MET A 1 1.704 -0.278 -0.341 1.00 73.42 H new ATOM 0 HB2 MET A 1 4.329 0.226 -1.786 1.00 41.51 H new ATOM 0 HB3 MET A 1 3.355 1.517 -1.109 1.00 41.51 H new ATOM 0 HG2 MET A 1 4.791 1.154 0.647 1.00 75.44 H new ATOM 0 HG3 MET A 1 3.492 0.069 1.102 1.00 75.44 H new ATOM 0 HE1 MET A 1 7.582 -1.177 1.362 1.00 71.14 H new ATOM 0 HE2 MET A 1 7.161 0.443 0.759 1.00 71.14 H new ATOM 0 HE3 MET A 1 6.444 -0.157 2.273 1.00 71.14 H new ATOM 18 N ALA A 2 0.713 1.101 -2.225 1.00 31.24 N ATOM 19 CA ALA A 2 -0.076 1.670 -3.310 1.00 71.52 C ATOM 20 C ALA A 2 0.015 3.192 -3.316 1.00 65.35 C ATOM 21 O ALA A 2 -0.964 3.882 -3.601 1.00 3.32 O ATOM 22 CB ALA A 2 -1.527 1.227 -3.196 1.00 72.42 C ATOM 0 H ALA A 2 0.533 1.515 -1.311 1.00 31.24 H new ATOM 0 HA ALA A 2 0.331 1.304 -4.252 1.00 71.52 H new ATOM 0 HB1 ALA A 2 -2.105 1.659 -4.013 1.00 72.42 H new ATOM 0 HB2 ALA A 2 -1.581 0.140 -3.250 1.00 72.42 H new ATOM 0 HB3 ALA A 2 -1.937 1.564 -2.244 1.00 72.42 H new ATOM 28 N THR A 3 1.198 3.710 -3.000 1.00 42.24 N ATOM 29 CA THR A 3 1.417 5.151 -2.968 1.00 20.32 C ATOM 30 C THR A 3 0.985 5.802 -4.276 1.00 42.25 C ATOM 31 O THR A 3 0.908 5.143 -5.314 1.00 11.43 O ATOM 32 CB THR A 3 2.896 5.488 -2.703 1.00 44.31 C ATOM 33 OG1 THR A 3 3.740 4.500 -3.306 1.00 12.34 O ATOM 34 CG2 THR A 3 3.177 5.559 -1.210 1.00 34.25 C ATOM 0 H THR A 3 2.019 3.153 -2.763 1.00 42.24 H new ATOM 0 HA THR A 3 0.811 5.545 -2.152 1.00 20.32 H new ATOM 0 HB THR A 3 3.107 6.463 -3.143 1.00 44.31 H new ATOM 0 HG1 THR A 3 4.679 4.723 -3.134 1.00 12.34 H new ATOM 0 HG21 THR A 3 4.228 5.798 -1.049 1.00 34.25 H new ATOM 0 HG22 THR A 3 2.555 6.333 -0.759 1.00 34.25 H new ATOM 0 HG23 THR A 3 2.949 4.597 -0.751 1.00 34.25 H new ATOM 42 N PHE A 4 0.705 7.100 -4.222 1.00 2.23 N ATOM 43 CA PHE A 4 0.281 7.841 -5.404 1.00 14.22 C ATOM 44 C PHE A 4 0.784 9.281 -5.353 1.00 65.44 C ATOM 45 O PHE A 4 0.443 10.036 -4.444 1.00 51.53 O ATOM 46 CB PHE A 4 -1.245 7.827 -5.520 1.00 60.31 C ATOM 47 CG PHE A 4 -1.768 8.663 -6.653 1.00 3.22 C ATOM 48 CD1 PHE A 4 -2.005 10.017 -6.479 1.00 42.34 C ATOM 49 CD2 PHE A 4 -2.022 8.096 -7.891 1.00 24.41 C ATOM 50 CE1 PHE A 4 -2.487 10.789 -7.520 1.00 5.02 C ATOM 51 CE2 PHE A 4 -2.503 8.862 -8.935 1.00 51.43 C ATOM 52 CZ PHE A 4 -2.735 10.211 -8.750 1.00 2.24 C ATOM 0 H PHE A 4 0.764 7.661 -3.372 1.00 2.23 H new ATOM 0 HA PHE A 4 0.711 7.355 -6.280 1.00 14.22 H new ATOM 0 HB2 PHE A 4 -1.582 6.799 -5.652 1.00 60.31 H new ATOM 0 HB3 PHE A 4 -1.676 8.186 -4.585 1.00 60.31 H new ATOM 0 HD1 PHE A 4 -1.811 10.474 -5.520 1.00 42.34 H new ATOM 0 HD2 PHE A 4 -1.842 7.042 -8.042 1.00 24.41 H new ATOM 0 HE1 PHE A 4 -2.669 11.843 -7.372 1.00 5.02 H new ATOM 0 HE2 PHE A 4 -2.697 8.407 -9.895 1.00 51.43 H new ATOM 0 HZ PHE A 4 -3.109 10.813 -9.565 1.00 2.24 H new ATOM 62 N GLN A 5 1.599 9.651 -6.336 1.00 71.13 N ATOM 63 CA GLN A 5 2.151 10.999 -6.403 1.00 70.33 C ATOM 64 C GLN A 5 1.788 11.670 -7.724 1.00 4.43 C ATOM 65 O GLN A 5 1.875 11.058 -8.789 1.00 1.41 O ATOM 66 CB GLN A 5 3.671 10.959 -6.238 1.00 62.34 C ATOM 67 CG GLN A 5 4.349 12.291 -6.516 1.00 74.12 C ATOM 68 CD GLN A 5 4.836 12.411 -7.947 1.00 34.12 C ATOM 69 OE1 GLN A 5 4.677 11.490 -8.748 1.00 74.42 O ATOM 70 NE2 GLN A 5 5.433 13.550 -8.276 1.00 10.45 N ATOM 0 H GLN A 5 1.891 9.037 -7.096 1.00 71.13 H new ATOM 0 HA GLN A 5 1.720 11.582 -5.589 1.00 70.33 H new ATOM 0 HB2 GLN A 5 3.910 10.645 -5.222 1.00 62.34 H new ATOM 0 HB3 GLN A 5 4.081 10.205 -6.910 1.00 62.34 H new ATOM 0 HG2 GLN A 5 3.651 13.101 -6.305 1.00 74.12 H new ATOM 0 HG3 GLN A 5 5.193 12.413 -5.838 1.00 74.12 H new ATOM 0 HE21 GLN A 5 5.544 14.287 -7.580 1.00 10.45 H new ATOM 0 HE22 GLN A 5 5.781 13.688 -9.225 1.00 10.45 H new ATOM 79 N THR A 6 1.381 12.934 -7.647 1.00 62.33 N ATOM 80 CA THR A 6 1.004 13.688 -8.836 1.00 11.34 C ATOM 81 C THR A 6 1.565 15.105 -8.788 1.00 72.04 C ATOM 82 O THR A 6 1.291 15.861 -7.856 1.00 32.52 O ATOM 83 CB THR A 6 -0.527 13.759 -8.993 1.00 43.45 C ATOM 84 OG1 THR A 6 -0.865 14.562 -10.130 1.00 73.10 O ATOM 85 CG2 THR A 6 -1.173 14.341 -7.745 1.00 71.21 C ATOM 0 H THR A 6 1.304 13.456 -6.774 1.00 62.33 H new ATOM 0 HA THR A 6 1.426 13.162 -9.692 1.00 11.34 H new ATOM 0 HB THR A 6 -0.903 12.746 -9.138 1.00 43.45 H new ATOM 0 HG1 THR A 6 -1.177 15.441 -9.829 1.00 73.10 H new ATOM 0 HG21 THR A 6 -2.254 14.381 -7.880 1.00 71.21 H new ATOM 0 HG22 THR A 6 -0.937 13.712 -6.886 1.00 71.21 H new ATOM 0 HG23 THR A 6 -0.791 15.347 -7.573 1.00 71.21 H new ATOM 93 N ASP A 7 2.350 15.459 -9.800 1.00 2.24 N ATOM 94 CA ASP A 7 2.949 16.787 -9.874 1.00 75.02 C ATOM 95 C ASP A 7 2.066 17.736 -10.679 1.00 0.23 C ATOM 96 O ASP A 7 2.556 18.503 -11.507 1.00 2.21 O ATOM 97 CB ASP A 7 4.340 16.708 -10.504 1.00 23.14 C ATOM 98 CG ASP A 7 5.219 17.880 -10.115 1.00 0.44 C ATOM 99 OD1 ASP A 7 4.777 18.704 -9.287 1.00 34.01 O ATOM 100 OD2 ASP A 7 6.349 17.975 -10.639 1.00 11.05 O ATOM 0 H ASP A 7 2.586 14.845 -10.580 1.00 2.24 H new ATOM 0 HA ASP A 7 3.040 17.175 -8.860 1.00 75.02 H new ATOM 0 HB2 ASP A 7 4.822 15.779 -10.199 1.00 23.14 H new ATOM 0 HB3 ASP A 7 4.243 16.675 -11.589 1.00 23.14 H new ATOM 105 N ALA A 8 0.762 17.678 -10.430 1.00 31.24 N ATOM 106 CA ALA A 8 -0.189 18.533 -11.130 1.00 24.42 C ATOM 107 C ALA A 8 -1.606 18.319 -10.609 1.00 41.21 C ATOM 108 O ALA A 8 -1.878 17.349 -9.902 1.00 72.33 O ATOM 109 CB ALA A 8 -0.130 18.271 -12.628 1.00 4.34 C ATOM 0 H ALA A 8 0.340 17.048 -9.748 1.00 31.24 H new ATOM 0 HA ALA A 8 0.086 19.571 -10.942 1.00 24.42 H new ATOM 0 HB1 ALA A 8 -0.845 18.916 -13.139 1.00 4.34 H new ATOM 0 HB2 ALA A 8 0.875 18.481 -12.995 1.00 4.34 H new ATOM 0 HB3 ALA A 8 -0.377 17.228 -12.825 1.00 4.34 H new ATOM 115 N ASP A 9 -2.504 19.232 -10.962 1.00 74.21 N ATOM 116 CA ASP A 9 -3.895 19.143 -10.530 1.00 45.14 C ATOM 117 C ASP A 9 -4.478 17.772 -10.855 1.00 70.44 C ATOM 118 O ASP A 9 -3.971 17.059 -11.723 1.00 13.44 O ATOM 119 CB ASP A 9 -4.729 20.237 -11.198 1.00 40.31 C ATOM 120 CG ASP A 9 -4.508 20.300 -12.697 1.00 14.44 C ATOM 121 OD1 ASP A 9 -4.279 19.236 -13.308 1.00 61.13 O ATOM 122 OD2 ASP A 9 -4.566 21.414 -13.258 1.00 11.20 O ATOM 0 H ASP A 9 -2.294 20.042 -11.546 1.00 74.21 H new ATOM 0 HA ASP A 9 -3.924 19.283 -9.449 1.00 45.14 H new ATOM 0 HB2 ASP A 9 -5.785 20.058 -10.997 1.00 40.31 H new ATOM 0 HB3 ASP A 9 -4.479 21.201 -10.756 1.00 40.31 H new ATOM 127 N PHE A 10 -5.546 17.407 -10.153 1.00 64.12 N ATOM 128 CA PHE A 10 -6.197 16.120 -10.365 1.00 71.44 C ATOM 129 C PHE A 10 -7.699 16.222 -10.115 1.00 2.21 C ATOM 130 O PHE A 10 -8.194 17.251 -9.652 1.00 21.31 O ATOM 131 CB PHE A 10 -5.587 15.058 -9.448 1.00 20.11 C ATOM 132 CG PHE A 10 -5.496 15.487 -8.012 1.00 12.55 C ATOM 133 CD1 PHE A 10 -4.424 16.245 -7.568 1.00 31.14 C ATOM 134 CD2 PHE A 10 -6.483 15.134 -7.105 1.00 40.43 C ATOM 135 CE1 PHE A 10 -4.338 16.641 -6.246 1.00 61.33 C ATOM 136 CE2 PHE A 10 -6.402 15.528 -5.783 1.00 33.33 C ATOM 137 CZ PHE A 10 -5.329 16.283 -5.353 1.00 23.20 C ATOM 0 H PHE A 10 -5.979 17.985 -9.432 1.00 64.12 H new ATOM 0 HA PHE A 10 -6.038 15.828 -11.403 1.00 71.44 H new ATOM 0 HB2 PHE A 10 -6.185 14.149 -9.510 1.00 20.11 H new ATOM 0 HB3 PHE A 10 -4.589 14.808 -9.808 1.00 20.11 H new ATOM 0 HD1 PHE A 10 -3.647 16.530 -8.262 1.00 31.14 H new ATOM 0 HD2 PHE A 10 -7.325 14.544 -7.435 1.00 40.43 H new ATOM 0 HE1 PHE A 10 -3.497 17.230 -5.912 1.00 61.33 H new ATOM 0 HE2 PHE A 10 -7.178 15.246 -5.087 1.00 33.33 H new ATOM 0 HZ PHE A 10 -5.265 16.593 -4.320 1.00 23.20 H new ATOM 147 N LEU A 11 -8.419 15.150 -10.425 1.00 24.54 N ATOM 148 CA LEU A 11 -9.865 15.117 -10.234 1.00 44.31 C ATOM 149 C LEU A 11 -10.238 14.236 -9.047 1.00 21.14 C ATOM 150 O LEU A 11 -9.473 13.357 -8.648 1.00 31.44 O ATOM 151 CB LEU A 11 -10.554 14.606 -11.500 1.00 72.01 C ATOM 152 CG LEU A 11 -10.894 15.662 -12.553 1.00 21.14 C ATOM 153 CD1 LEU A 11 -11.512 15.012 -13.781 1.00 31.03 C ATOM 154 CD2 LEU A 11 -11.832 16.711 -11.973 1.00 22.43 C ATOM 0 H LEU A 11 -8.025 14.291 -10.810 1.00 24.54 H new ATOM 0 HA LEU A 11 -10.203 16.133 -10.028 1.00 44.31 H new ATOM 0 HB2 LEU A 11 -9.912 13.856 -11.961 1.00 72.01 H new ATOM 0 HB3 LEU A 11 -11.476 14.102 -11.210 1.00 72.01 H new ATOM 0 HG LEU A 11 -9.971 16.156 -12.855 1.00 21.14 H new ATOM 0 HD11 LEU A 11 -11.747 15.779 -14.519 1.00 31.03 H new ATOM 0 HD12 LEU A 11 -10.807 14.300 -14.210 1.00 31.03 H new ATOM 0 HD13 LEU A 11 -12.426 14.491 -13.496 1.00 31.03 H new ATOM 0 HD21 LEU A 11 -12.063 17.454 -12.736 1.00 22.43 H new ATOM 0 HD22 LEU A 11 -12.753 16.232 -11.642 1.00 22.43 H new ATOM 0 HD23 LEU A 11 -11.352 17.199 -11.125 1.00 22.43 H new ATOM 166 N LEU A 12 -11.419 14.476 -8.487 1.00 24.51 N ATOM 167 CA LEU A 12 -11.895 13.702 -7.346 1.00 34.13 C ATOM 168 C LEU A 12 -13.255 13.077 -7.641 1.00 52.22 C ATOM 169 O LEU A 12 -14.164 13.746 -8.133 1.00 41.43 O ATOM 170 CB LEU A 12 -11.989 14.591 -6.105 1.00 1.33 C ATOM 171 CG LEU A 12 -11.566 13.947 -4.784 1.00 14.22 C ATOM 172 CD1 LEU A 12 -12.255 12.604 -4.601 1.00 23.50 C ATOM 173 CD2 LEU A 12 -10.054 13.786 -4.729 1.00 32.31 C ATOM 0 H LEU A 12 -12.064 15.200 -8.804 1.00 24.51 H new ATOM 0 HA LEU A 12 -11.180 12.901 -7.159 1.00 34.13 H new ATOM 0 HB2 LEU A 12 -11.373 15.475 -6.269 1.00 1.33 H new ATOM 0 HB3 LEU A 12 -13.019 14.934 -6.006 1.00 1.33 H new ATOM 0 HG LEU A 12 -11.871 14.602 -3.968 1.00 14.22 H new ATOM 0 HD11 LEU A 12 -11.942 12.160 -3.656 1.00 23.50 H new ATOM 0 HD12 LEU A 12 -13.336 12.747 -4.595 1.00 23.50 H new ATOM 0 HD13 LEU A 12 -11.982 11.940 -5.421 1.00 23.50 H new ATOM 0 HD21 LEU A 12 -9.771 13.326 -3.782 1.00 32.31 H new ATOM 0 HD22 LEU A 12 -9.725 13.152 -5.553 1.00 32.31 H new ATOM 0 HD23 LEU A 12 -9.581 14.764 -4.813 1.00 32.31 H new ATOM 185 N VAL A 13 -13.389 11.790 -7.336 1.00 4.42 N ATOM 186 CA VAL A 13 -14.639 11.076 -7.565 1.00 65.34 C ATOM 187 C VAL A 13 -15.169 10.467 -6.272 1.00 52.22 C ATOM 188 O VAL A 13 -14.469 9.717 -5.594 1.00 30.12 O ATOM 189 CB VAL A 13 -14.462 9.959 -8.611 1.00 74.41 C ATOM 190 CG1 VAL A 13 -15.769 9.207 -8.815 1.00 22.44 C ATOM 191 CG2 VAL A 13 -13.959 10.535 -9.926 1.00 21.21 C ATOM 0 H VAL A 13 -12.647 11.221 -6.930 1.00 4.42 H new ATOM 0 HA VAL A 13 -15.357 11.805 -7.940 1.00 65.34 H new ATOM 0 HB VAL A 13 -13.718 9.254 -8.241 1.00 74.41 H new ATOM 0 HG11 VAL A 13 -15.625 8.422 -9.557 1.00 22.44 H new ATOM 0 HG12 VAL A 13 -16.083 8.761 -7.871 1.00 22.44 H new ATOM 0 HG13 VAL A 13 -16.536 9.899 -9.163 1.00 22.44 H new ATOM 0 HG21 VAL A 13 -13.840 9.732 -10.653 1.00 21.21 H new ATOM 0 HG22 VAL A 13 -14.678 11.262 -10.303 1.00 21.21 H new ATOM 0 HG23 VAL A 13 -12.998 11.024 -9.765 1.00 21.21 H new ATOM 201 N GLY A 14 -16.413 10.796 -5.937 1.00 31.15 N ATOM 202 CA GLY A 14 -17.017 10.273 -4.725 1.00 75.43 C ATOM 203 C GLY A 14 -18.482 10.642 -4.602 1.00 75.32 C ATOM 204 O GLY A 14 -19.227 10.590 -5.581 1.00 40.34 O ATOM 0 H GLY A 14 -17.013 11.415 -6.483 1.00 31.15 H new ATOM 0 HA2 GLY A 14 -16.916 9.188 -4.712 1.00 75.43 H new ATOM 0 HA3 GLY A 14 -16.476 10.654 -3.859 1.00 75.43 H new ATOM 208 N ASP A 15 -18.898 11.013 -3.396 1.00 41.34 N ATOM 209 CA ASP A 15 -20.284 11.392 -3.148 1.00 72.13 C ATOM 210 C ASP A 15 -20.446 12.909 -3.173 1.00 30.42 C ATOM 211 O ASP A 15 -21.355 13.456 -2.549 1.00 32.12 O ATOM 212 CB ASP A 15 -20.753 10.838 -1.802 1.00 13.10 C ATOM 213 CG ASP A 15 -22.250 10.599 -1.764 1.00 0.41 C ATOM 214 OD1 ASP A 15 -22.996 11.553 -1.455 1.00 64.24 O ATOM 215 OD2 ASP A 15 -22.676 9.459 -2.044 1.00 2.54 O ATOM 0 H ASP A 15 -18.295 11.059 -2.575 1.00 41.34 H new ATOM 0 HA ASP A 15 -20.899 10.967 -3.941 1.00 72.13 H new ATOM 0 HB2 ASP A 15 -20.233 9.902 -1.597 1.00 13.10 H new ATOM 0 HB3 ASP A 15 -20.479 11.535 -1.010 1.00 13.10 H new ATOM 220 N ASP A 16 -19.558 13.581 -3.896 1.00 40.42 N ATOM 221 CA ASP A 16 -19.602 15.035 -4.002 1.00 50.21 C ATOM 222 C ASP A 16 -19.913 15.669 -2.650 1.00 3.41 C ATOM 223 O ASP A 16 -20.709 16.605 -2.558 1.00 64.32 O ATOM 224 CB ASP A 16 -20.649 15.461 -5.032 1.00 15.41 C ATOM 225 CG ASP A 16 -22.061 15.114 -4.600 1.00 44.12 C ATOM 226 OD1 ASP A 16 -22.483 13.961 -4.827 1.00 11.25 O ATOM 227 OD2 ASP A 16 -22.743 15.996 -4.037 1.00 20.43 O ATOM 0 H ASP A 16 -18.799 13.143 -4.418 1.00 40.42 H new ATOM 0 HA ASP A 16 -18.621 15.381 -4.328 1.00 50.21 H new ATOM 0 HB2 ASP A 16 -20.576 16.536 -5.196 1.00 15.41 H new ATOM 0 HB3 ASP A 16 -20.435 14.978 -5.985 1.00 15.41 H new ATOM 232 N THR A 17 -19.280 15.154 -1.601 1.00 21.45 N ATOM 233 CA THR A 17 -19.490 15.667 -0.253 1.00 11.30 C ATOM 234 C THR A 17 -18.736 16.975 -0.039 1.00 54.04 C ATOM 235 O THR A 17 -17.685 17.202 -0.639 1.00 34.13 O ATOM 236 CB THR A 17 -19.041 14.649 0.813 1.00 54.44 C ATOM 237 OG1 THR A 17 -18.026 13.794 0.276 1.00 1.22 O ATOM 238 CG2 THR A 17 -20.218 13.811 1.289 1.00 1.14 C ATOM 0 H THR A 17 -18.617 14.381 -1.659 1.00 21.45 H new ATOM 0 HA THR A 17 -20.560 15.845 -0.146 1.00 11.30 H new ATOM 0 HB THR A 17 -18.639 15.199 1.664 1.00 54.44 H new ATOM 0 HG1 THR A 17 -17.178 14.283 0.229 1.00 1.22 H new ATOM 0 HG21 THR A 17 -19.877 13.099 2.041 1.00 1.14 H new ATOM 0 HG22 THR A 17 -20.977 14.462 1.723 1.00 1.14 H new ATOM 0 HG23 THR A 17 -20.645 13.270 0.444 1.00 1.14 H new ATOM 246 N SER A 18 -19.280 17.832 0.819 1.00 44.30 N ATOM 247 CA SER A 18 -18.659 19.120 1.109 1.00 33.34 C ATOM 248 C SER A 18 -17.338 18.932 1.849 1.00 70.34 C ATOM 249 O SER A 18 -16.523 19.851 1.929 1.00 21.20 O ATOM 250 CB SER A 18 -19.604 19.988 1.943 1.00 42.35 C ATOM 251 OG SER A 18 -20.864 20.124 1.309 1.00 31.31 O ATOM 0 H SER A 18 -20.148 17.658 1.325 1.00 44.30 H new ATOM 0 HA SER A 18 -18.457 19.620 0.162 1.00 33.34 H new ATOM 0 HB2 SER A 18 -19.736 19.543 2.929 1.00 42.35 H new ATOM 0 HB3 SER A 18 -19.161 20.972 2.094 1.00 42.35 H new ATOM 0 HG SER A 18 -21.450 20.681 1.862 1.00 31.31 H new ATOM 257 N ARG A 19 -17.134 17.734 2.387 1.00 22.11 N ATOM 258 CA ARG A 19 -15.913 17.424 3.121 1.00 3.41 C ATOM 259 C ARG A 19 -14.754 17.162 2.163 1.00 12.41 C ATOM 260 O ARG A 19 -13.587 17.282 2.537 1.00 32.50 O ATOM 261 CB ARG A 19 -16.129 16.207 4.022 1.00 3.11 C ATOM 262 CG ARG A 19 -17.425 16.258 4.814 1.00 72.32 C ATOM 263 CD ARG A 19 -17.550 15.069 5.754 1.00 12.55 C ATOM 264 NE ARG A 19 -18.491 15.328 6.841 1.00 10.21 N ATOM 265 CZ ARG A 19 -18.826 14.424 7.754 1.00 23.45 C ATOM 266 NH1 ARG A 19 -18.299 13.208 7.712 1.00 25.24 N ATOM 267 NH2 ARG A 19 -19.689 14.735 8.713 1.00 71.31 N ATOM 0 H ARG A 19 -17.798 16.962 2.328 1.00 22.11 H new ATOM 0 HA ARG A 19 -15.663 18.286 3.740 1.00 3.41 H new ATOM 0 HB2 ARG A 19 -16.123 15.306 3.409 1.00 3.11 H new ATOM 0 HB3 ARG A 19 -15.292 16.126 4.716 1.00 3.11 H new ATOM 0 HG2 ARG A 19 -17.465 17.183 5.389 1.00 72.32 H new ATOM 0 HG3 ARG A 19 -18.272 16.272 4.128 1.00 72.32 H new ATOM 0 HD2 ARG A 19 -17.878 14.195 5.191 1.00 12.55 H new ATOM 0 HD3 ARG A 19 -16.571 14.832 6.171 1.00 12.55 H new ATOM 0 HE ARG A 19 -18.914 16.254 6.902 1.00 10.21 H new ATOM 0 HH11 ARG A 19 -17.635 12.965 6.977 1.00 25.24 H new ATOM 0 HH12 ARG A 19 -18.558 12.515 8.415 1.00 25.24 H new ATOM 0 HH21 ARG A 19 -20.096 15.670 8.749 1.00 71.31 H new ATOM 0 HH22 ARG A 19 -19.945 14.039 9.414 1.00 71.31 H new ATOM 281 N TYR A 20 -15.085 16.805 0.927 1.00 23.13 N ATOM 282 CA TYR A 20 -14.072 16.523 -0.083 1.00 53.24 C ATOM 283 C TYR A 20 -13.189 17.744 -0.325 1.00 73.41 C ATOM 284 O TYR A 20 -11.966 17.633 -0.400 1.00 72.54 O ATOM 285 CB TYR A 20 -14.735 16.092 -1.393 1.00 21.22 C ATOM 286 CG TYR A 20 -14.913 14.596 -1.517 1.00 71.51 C ATOM 287 CD1 TYR A 20 -15.219 13.818 -0.407 1.00 62.33 C ATOM 288 CD2 TYR A 20 -14.776 13.960 -2.745 1.00 75.31 C ATOM 289 CE1 TYR A 20 -15.382 12.450 -0.516 1.00 44.33 C ATOM 290 CE2 TYR A 20 -14.939 12.593 -2.864 1.00 30.12 C ATOM 291 CZ TYR A 20 -15.241 11.843 -1.747 1.00 20.44 C ATOM 292 OH TYR A 20 -15.404 10.481 -1.860 1.00 22.14 O ATOM 0 H TYR A 20 -16.046 16.704 0.601 1.00 23.13 H new ATOM 0 HA TYR A 20 -13.445 15.711 0.284 1.00 53.24 H new ATOM 0 HB2 TYR A 20 -15.710 16.573 -1.473 1.00 21.22 H new ATOM 0 HB3 TYR A 20 -14.134 16.449 -2.229 1.00 21.22 H new ATOM 0 HD1 TYR A 20 -15.331 14.291 0.558 1.00 62.33 H new ATOM 0 HD2 TYR A 20 -14.538 14.544 -3.622 1.00 75.31 H new ATOM 0 HE1 TYR A 20 -15.618 11.860 0.357 1.00 44.33 H new ATOM 0 HE2 TYR A 20 -14.830 12.115 -3.826 1.00 30.12 H new ATOM 0 HH TYR A 20 -15.952 10.154 -1.116 1.00 22.14 H new ATOM 302 N GLU A 21 -13.820 18.908 -0.445 1.00 61.32 N ATOM 303 CA GLU A 21 -13.092 20.150 -0.678 1.00 71.55 C ATOM 304 C GLU A 21 -12.302 20.559 0.562 1.00 73.54 C ATOM 305 O GLU A 21 -11.184 21.061 0.459 1.00 24.42 O ATOM 306 CB GLU A 21 -14.060 21.268 -1.072 1.00 63.40 C ATOM 307 CG GLU A 21 -15.222 21.435 -0.107 1.00 63.42 C ATOM 308 CD GLU A 21 -16.082 22.640 -0.433 1.00 4.32 C ATOM 309 OE1 GLU A 21 -15.784 23.738 0.082 1.00 41.44 O ATOM 310 OE2 GLU A 21 -17.053 22.485 -1.203 1.00 3.12 O ATOM 0 H GLU A 21 -14.832 19.017 -0.385 1.00 61.32 H new ATOM 0 HA GLU A 21 -12.390 19.982 -1.495 1.00 71.55 H new ATOM 0 HB2 GLU A 21 -13.511 22.208 -1.133 1.00 63.40 H new ATOM 0 HB3 GLU A 21 -14.452 21.063 -2.068 1.00 63.40 H new ATOM 0 HG2 GLU A 21 -15.839 20.537 -0.128 1.00 63.42 H new ATOM 0 HG3 GLU A 21 -14.836 21.533 0.908 1.00 63.42 H new ATOM 317 N GLU A 22 -12.894 20.340 1.732 1.00 72.13 N ATOM 318 CA GLU A 22 -12.247 20.687 2.991 1.00 4.12 C ATOM 319 C GLU A 22 -11.019 19.813 3.230 1.00 5.45 C ATOM 320 O GLU A 22 -9.946 20.311 3.574 1.00 71.11 O ATOM 321 CB GLU A 22 -13.229 20.535 4.154 1.00 21.34 C ATOM 322 CG GLU A 22 -12.669 20.999 5.489 1.00 53.15 C ATOM 323 CD GLU A 22 -11.809 19.945 6.159 1.00 53.41 C ATOM 324 OE1 GLU A 22 -12.190 18.757 6.122 1.00 64.42 O ATOM 325 OE2 GLU A 22 -10.755 20.310 6.721 1.00 52.33 O ATOM 0 H GLU A 22 -13.820 19.924 1.834 1.00 72.13 H new ATOM 0 HA GLU A 22 -11.926 21.727 2.930 1.00 4.12 H new ATOM 0 HB2 GLU A 22 -14.133 21.102 3.932 1.00 21.34 H new ATOM 0 HB3 GLU A 22 -13.522 19.488 4.237 1.00 21.34 H new ATOM 0 HG2 GLU A 22 -12.078 21.902 5.337 1.00 53.15 H new ATOM 0 HG3 GLU A 22 -13.493 21.265 6.151 1.00 53.15 H new ATOM 332 N VAL A 23 -11.184 18.507 3.047 1.00 41.31 N ATOM 333 CA VAL A 23 -10.090 17.563 3.242 1.00 40.31 C ATOM 334 C VAL A 23 -8.942 17.846 2.280 1.00 43.41 C ATOM 335 O VAL A 23 -7.772 17.748 2.648 1.00 4.01 O ATOM 336 CB VAL A 23 -10.561 16.110 3.048 1.00 74.13 C ATOM 337 CG1 VAL A 23 -9.394 15.146 3.194 1.00 32.30 C ATOM 338 CG2 VAL A 23 -11.669 15.773 4.035 1.00 41.14 C ATOM 0 H VAL A 23 -12.065 18.078 2.764 1.00 41.31 H new ATOM 0 HA VAL A 23 -9.741 17.690 4.267 1.00 40.31 H new ATOM 0 HB VAL A 23 -10.961 16.008 2.039 1.00 74.13 H new ATOM 0 HG11 VAL A 23 -9.746 14.124 3.054 1.00 32.30 H new ATOM 0 HG12 VAL A 23 -8.637 15.375 2.444 1.00 32.30 H new ATOM 0 HG13 VAL A 23 -8.961 15.247 4.189 1.00 32.30 H new ATOM 0 HG21 VAL A 23 -11.990 14.742 3.884 1.00 41.14 H new ATOM 0 HG22 VAL A 23 -11.298 15.892 5.053 1.00 41.14 H new ATOM 0 HG23 VAL A 23 -12.514 16.443 3.876 1.00 41.14 H new ATOM 348 N MET A 24 -9.285 18.199 1.045 1.00 2.13 N ATOM 349 CA MET A 24 -8.282 18.499 0.030 1.00 63.51 C ATOM 350 C MET A 24 -7.618 19.844 0.302 1.00 4.52 C ATOM 351 O MET A 24 -6.433 20.031 0.025 1.00 5.10 O ATOM 352 CB MET A 24 -8.919 18.503 -1.361 1.00 43.11 C ATOM 353 CG MET A 24 -8.995 17.125 -1.999 1.00 12.41 C ATOM 354 SD MET A 24 -7.378 16.495 -2.488 1.00 10.53 S ATOM 355 CE MET A 24 -7.353 14.924 -1.628 1.00 4.52 C ATOM 0 H MET A 24 -10.249 18.284 0.724 1.00 2.13 H new ATOM 0 HA MET A 24 -7.518 17.723 0.070 1.00 63.51 H new ATOM 0 HB2 MET A 24 -9.925 18.917 -1.290 1.00 43.11 H new ATOM 0 HB3 MET A 24 -8.347 19.165 -2.012 1.00 43.11 H new ATOM 0 HG2 MET A 24 -9.455 16.429 -1.297 1.00 12.41 H new ATOM 0 HG3 MET A 24 -9.643 17.170 -2.874 1.00 12.41 H new ATOM 0 HE1 MET A 24 -6.543 14.308 -2.019 1.00 4.52 H new ATOM 0 HE2 MET A 24 -7.198 15.095 -0.563 1.00 4.52 H new ATOM 0 HE3 MET A 24 -8.303 14.412 -1.779 1.00 4.52 H new ATOM 365 N LYS A 25 -8.388 20.780 0.846 1.00 12.22 N ATOM 366 CA LYS A 25 -7.875 22.109 1.157 1.00 11.11 C ATOM 367 C LYS A 25 -6.765 22.033 2.200 1.00 2.33 C ATOM 368 O LYS A 25 -5.818 22.821 2.174 1.00 75.00 O ATOM 369 CB LYS A 25 -9.005 23.009 1.664 1.00 63.24 C ATOM 370 CG LYS A 25 -9.348 24.145 0.717 1.00 51.55 C ATOM 371 CD LYS A 25 -9.724 23.628 -0.662 1.00 44.51 C ATOM 372 CE LYS A 25 -9.977 24.770 -1.635 1.00 62.44 C ATOM 373 NZ LYS A 25 -11.290 25.427 -1.390 1.00 34.21 N ATOM 0 H LYS A 25 -9.371 20.643 1.081 1.00 12.22 H new ATOM 0 HA LYS A 25 -7.462 22.535 0.243 1.00 11.11 H new ATOM 0 HB2 LYS A 25 -9.896 22.402 1.828 1.00 63.24 H new ATOM 0 HB3 LYS A 25 -8.721 23.426 2.630 1.00 63.24 H new ATOM 0 HG2 LYS A 25 -10.175 24.725 1.127 1.00 51.55 H new ATOM 0 HG3 LYS A 25 -8.496 24.820 0.634 1.00 51.55 H new ATOM 0 HD2 LYS A 25 -8.925 22.993 -1.044 1.00 44.51 H new ATOM 0 HD3 LYS A 25 -10.617 23.007 -0.588 1.00 44.51 H new ATOM 0 HE2 LYS A 25 -9.179 25.507 -1.545 1.00 62.44 H new ATOM 0 HE3 LYS A 25 -9.946 24.390 -2.656 1.00 62.44 H new ATOM 0 HZ1 LYS A 25 -11.425 26.199 -2.073 1.00 34.21 H new ATOM 0 HZ2 LYS A 25 -12.053 24.729 -1.501 1.00 34.21 H new ATOM 0 HZ3 LYS A 25 -11.311 25.812 -0.424 1.00 34.21 H new ATOM 387 N THR A 26 -6.885 21.079 3.118 1.00 14.12 N ATOM 388 CA THR A 26 -5.892 20.900 4.170 1.00 52.23 C ATOM 389 C THR A 26 -4.507 20.656 3.582 1.00 71.11 C ATOM 390 O THR A 26 -3.493 20.882 4.242 1.00 42.50 O ATOM 391 CB THR A 26 -6.259 19.725 5.095 1.00 33.02 C ATOM 392 OG1 THR A 26 -6.034 18.482 4.421 1.00 24.24 O ATOM 393 CG2 THR A 26 -7.714 19.814 5.532 1.00 42.00 C ATOM 0 H THR A 26 -7.661 20.418 3.154 1.00 14.12 H new ATOM 0 HA THR A 26 -5.879 21.821 4.753 1.00 52.23 H new ATOM 0 HB THR A 26 -5.626 19.778 5.981 1.00 33.02 H new ATOM 0 HG1 THR A 26 -6.596 18.438 3.620 1.00 24.24 H new ATOM 0 HG21 THR A 26 -7.950 18.973 6.185 1.00 42.00 H new ATOM 0 HG22 THR A 26 -7.876 20.748 6.070 1.00 42.00 H new ATOM 0 HG23 THR A 26 -8.360 19.784 4.654 1.00 42.00 H new ATOM 401 N PHE A 27 -4.471 20.193 2.337 1.00 71.22 N ATOM 402 CA PHE A 27 -3.209 19.917 1.660 1.00 52.42 C ATOM 403 C PHE A 27 -2.604 21.199 1.095 1.00 50.12 C ATOM 404 O PHE A 27 -3.193 21.848 0.230 1.00 61.54 O ATOM 405 CB PHE A 27 -3.420 18.901 0.536 1.00 54.03 C ATOM 406 CG PHE A 27 -2.945 17.519 0.880 1.00 21.43 C ATOM 407 CD1 PHE A 27 -1.593 17.214 0.871 1.00 52.22 C ATOM 408 CD2 PHE A 27 -3.849 16.524 1.214 1.00 35.33 C ATOM 409 CE1 PHE A 27 -1.153 15.943 1.187 1.00 72.33 C ATOM 410 CE2 PHE A 27 -3.415 15.250 1.532 1.00 53.34 C ATOM 411 CZ PHE A 27 -2.065 14.960 1.519 1.00 72.13 C ATOM 0 H PHE A 27 -5.301 20.001 1.776 1.00 71.22 H new ATOM 0 HA PHE A 27 -2.517 19.500 2.391 1.00 52.42 H new ATOM 0 HB2 PHE A 27 -4.481 18.861 0.288 1.00 54.03 H new ATOM 0 HB3 PHE A 27 -2.897 19.245 -0.356 1.00 54.03 H new ATOM 0 HD1 PHE A 27 -0.875 17.979 0.614 1.00 52.22 H new ATOM 0 HD2 PHE A 27 -4.906 16.746 1.226 1.00 35.33 H new ATOM 0 HE1 PHE A 27 -0.097 15.718 1.174 1.00 72.33 H new ATOM 0 HE2 PHE A 27 -4.131 14.483 1.790 1.00 53.34 H new ATOM 0 HZ PHE A 27 -1.723 13.966 1.768 1.00 72.13 H new ATOM 421 N ASP A 28 -1.425 21.558 1.591 1.00 51.12 N ATOM 422 CA ASP A 28 -0.739 22.762 1.136 1.00 22.31 C ATOM 423 C ASP A 28 -0.590 22.762 -0.382 1.00 71.22 C ATOM 424 O ASP A 28 -0.572 23.818 -1.016 1.00 34.34 O ATOM 425 CB ASP A 28 0.637 22.870 1.796 1.00 51.13 C ATOM 426 CG ASP A 28 0.557 23.379 3.221 1.00 11.34 C ATOM 427 OD1 ASP A 28 0.000 24.477 3.428 1.00 12.44 O ATOM 428 OD2 ASP A 28 1.052 22.680 4.130 1.00 1.12 O ATOM 0 H ASP A 28 -0.924 21.033 2.308 1.00 51.12 H new ATOM 0 HA ASP A 28 -1.341 23.624 1.424 1.00 22.31 H new ATOM 0 HB2 ASP A 28 1.118 21.892 1.789 1.00 51.13 H new ATOM 0 HB3 ASP A 28 1.267 23.539 1.209 1.00 51.13 H new ATOM 433 N THR A 29 -0.482 21.570 -0.961 1.00 72.13 N ATOM 434 CA THR A 29 -0.333 21.432 -2.404 1.00 44.14 C ATOM 435 C THR A 29 -1.589 21.894 -3.134 1.00 43.40 C ATOM 436 O THR A 29 -1.520 22.373 -4.266 1.00 55.21 O ATOM 437 CB THR A 29 -0.029 19.975 -2.801 1.00 72.11 C ATOM 438 OG1 THR A 29 -0.047 19.842 -4.227 1.00 21.53 O ATOM 439 CG2 THR A 29 -1.044 19.024 -2.185 1.00 71.21 C ATOM 0 H THR A 29 -0.495 20.686 -0.452 1.00 72.13 H new ATOM 0 HA THR A 29 0.506 22.063 -2.696 1.00 44.14 H new ATOM 0 HB THR A 29 0.961 19.718 -2.425 1.00 72.11 H new ATOM 0 HG1 THR A 29 0.872 19.850 -4.568 1.00 21.53 H new ATOM 0 HG21 THR A 29 -0.809 18.001 -2.479 1.00 71.21 H new ATOM 0 HG22 THR A 29 -1.008 19.107 -1.099 1.00 71.21 H new ATOM 0 HG23 THR A 29 -2.043 19.282 -2.535 1.00 71.21 H new ATOM 447 N VAL A 30 -2.736 21.749 -2.478 1.00 62.23 N ATOM 448 CA VAL A 30 -4.008 22.153 -3.064 1.00 50.44 C ATOM 449 C VAL A 30 -4.207 23.661 -2.959 1.00 1.22 C ATOM 450 O VAL A 30 -4.004 24.251 -1.898 1.00 31.31 O ATOM 451 CB VAL A 30 -5.192 21.442 -2.383 1.00 23.43 C ATOM 452 CG1 VAL A 30 -6.512 21.923 -2.965 1.00 42.20 C ATOM 453 CG2 VAL A 30 -5.057 19.933 -2.522 1.00 30.34 C ATOM 0 H VAL A 30 -2.810 21.355 -1.540 1.00 62.23 H new ATOM 0 HA VAL A 30 -3.977 21.865 -4.115 1.00 50.44 H new ATOM 0 HB VAL A 30 -5.180 21.690 -1.322 1.00 23.43 H new ATOM 0 HG11 VAL A 30 -7.336 21.409 -2.471 1.00 42.20 H new ATOM 0 HG12 VAL A 30 -6.609 22.997 -2.809 1.00 42.20 H new ATOM 0 HG13 VAL A 30 -6.539 21.708 -4.033 1.00 42.20 H new ATOM 0 HG21 VAL A 30 -5.902 19.446 -2.035 1.00 30.34 H new ATOM 0 HG22 VAL A 30 -5.043 19.665 -3.578 1.00 30.34 H new ATOM 0 HG23 VAL A 30 -4.130 19.606 -2.052 1.00 30.34 H new ATOM 463 N GLU A 31 -4.606 24.279 -4.066 1.00 45.13 N ATOM 464 CA GLU A 31 -4.832 25.719 -4.098 1.00 5.34 C ATOM 465 C GLU A 31 -6.324 26.037 -4.059 1.00 64.12 C ATOM 466 O GLU A 31 -6.762 26.919 -3.322 1.00 14.11 O ATOM 467 CB GLU A 31 -4.201 26.330 -5.351 1.00 72.21 C ATOM 468 CG GLU A 31 -4.004 27.834 -5.263 1.00 33.24 C ATOM 469 CD GLU A 31 -3.168 28.381 -6.403 1.00 60.20 C ATOM 470 OE1 GLU A 31 -2.871 27.614 -7.343 1.00 23.05 O ATOM 471 OE2 GLU A 31 -2.811 29.577 -6.356 1.00 30.24 O ATOM 0 H GLU A 31 -4.779 23.805 -4.952 1.00 45.13 H new ATOM 0 HA GLU A 31 -4.363 26.154 -3.216 1.00 5.34 H new ATOM 0 HB2 GLU A 31 -3.236 25.856 -5.529 1.00 72.21 H new ATOM 0 HB3 GLU A 31 -4.831 26.105 -6.211 1.00 72.21 H new ATOM 0 HG2 GLU A 31 -4.977 28.325 -5.263 1.00 33.24 H new ATOM 0 HG3 GLU A 31 -3.524 28.079 -4.316 1.00 33.24 H new ATOM 478 N ALA A 32 -7.098 25.311 -4.859 1.00 42.24 N ATOM 479 CA ALA A 32 -8.540 25.514 -4.916 1.00 71.24 C ATOM 480 C ALA A 32 -9.222 24.391 -5.691 1.00 30.25 C ATOM 481 O ALA A 32 -8.632 23.800 -6.595 1.00 74.41 O ATOM 482 CB ALA A 32 -8.859 26.861 -5.547 1.00 13.44 C ATOM 0 H ALA A 32 -6.750 24.577 -5.476 1.00 42.24 H new ATOM 0 HA ALA A 32 -8.924 25.503 -3.896 1.00 71.24 H new ATOM 0 HB1 ALA A 32 -9.940 26.999 -5.583 1.00 13.44 H new ATOM 0 HB2 ALA A 32 -8.411 27.657 -4.952 1.00 13.44 H new ATOM 0 HB3 ALA A 32 -8.455 26.894 -6.559 1.00 13.44 H new ATOM 488 N VAL A 33 -10.468 24.101 -5.329 1.00 21.31 N ATOM 489 CA VAL A 33 -11.230 23.048 -5.990 1.00 14.40 C ATOM 490 C VAL A 33 -12.620 23.539 -6.380 1.00 33.14 C ATOM 491 O VAL A 33 -13.252 24.295 -5.642 1.00 34.34 O ATOM 492 CB VAL A 33 -11.370 21.806 -5.090 1.00 0.31 C ATOM 493 CG1 VAL A 33 -11.975 22.185 -3.747 1.00 4.44 C ATOM 494 CG2 VAL A 33 -12.208 20.741 -5.779 1.00 72.45 C ATOM 0 H VAL A 33 -10.971 24.580 -4.582 1.00 21.31 H new ATOM 0 HA VAL A 33 -10.678 22.775 -6.889 1.00 14.40 H new ATOM 0 HB VAL A 33 -10.376 21.395 -4.911 1.00 0.31 H new ATOM 0 HG11 VAL A 33 -12.066 21.295 -3.125 1.00 4.44 H new ATOM 0 HG12 VAL A 33 -11.331 22.911 -3.250 1.00 4.44 H new ATOM 0 HG13 VAL A 33 -12.962 22.622 -3.903 1.00 4.44 H new ATOM 0 HG21 VAL A 33 -12.297 19.871 -5.129 1.00 72.45 H new ATOM 0 HG22 VAL A 33 -13.201 21.139 -5.990 1.00 72.45 H new ATOM 0 HG23 VAL A 33 -11.729 20.449 -6.713 1.00 72.45 H new ATOM 504 N ARG A 34 -13.091 23.103 -7.544 1.00 4.42 N ATOM 505 CA ARG A 34 -14.406 23.499 -8.032 1.00 71.34 C ATOM 506 C ARG A 34 -15.139 22.309 -8.645 1.00 21.54 C ATOM 507 O ARG A 34 -14.559 21.533 -9.405 1.00 34.31 O ATOM 508 CB ARG A 34 -14.274 24.617 -9.067 1.00 52.45 C ATOM 509 CG ARG A 34 -13.446 25.798 -8.587 1.00 22.54 C ATOM 510 CD ARG A 34 -14.220 26.655 -7.598 1.00 4.24 C ATOM 511 NE ARG A 34 -13.777 28.047 -7.616 1.00 62.24 N ATOM 512 CZ ARG A 34 -14.385 29.020 -6.948 1.00 3.51 C ATOM 513 NH1 ARG A 34 -15.455 28.756 -6.211 1.00 61.44 N ATOM 514 NH2 ARG A 34 -13.922 30.262 -7.015 1.00 1.31 N ATOM 0 H ARG A 34 -12.581 22.476 -8.166 1.00 4.42 H new ATOM 0 HA ARG A 34 -14.986 23.864 -7.184 1.00 71.34 H new ATOM 0 HB2 ARG A 34 -13.822 24.211 -9.972 1.00 52.45 H new ATOM 0 HB3 ARG A 34 -15.269 24.969 -9.338 1.00 52.45 H new ATOM 0 HG2 ARG A 34 -12.531 25.436 -8.118 1.00 22.54 H new ATOM 0 HG3 ARG A 34 -13.148 26.406 -9.441 1.00 22.54 H new ATOM 0 HD2 ARG A 34 -15.283 26.610 -7.834 1.00 4.24 H new ATOM 0 HD3 ARG A 34 -14.099 26.249 -6.594 1.00 4.24 H new ATOM 0 HE ARG A 34 -12.956 28.284 -8.172 1.00 62.24 H new ATOM 0 HH11 ARG A 34 -15.814 27.803 -6.156 1.00 61.44 H new ATOM 0 HH12 ARG A 34 -15.919 29.506 -5.699 1.00 61.44 H new ATOM 0 HH21 ARG A 34 -13.099 30.470 -7.580 1.00 1.31 H new ATOM 0 HH22 ARG A 34 -14.390 31.009 -6.502 1.00 1.31 H new ATOM 528 N LYS A 35 -16.417 22.170 -8.308 1.00 3.23 N ATOM 529 CA LYS A 35 -17.230 21.076 -8.824 1.00 34.22 C ATOM 530 C LYS A 35 -17.200 21.047 -10.349 1.00 4.05 C ATOM 531 O LYS A 35 -16.908 22.055 -10.992 1.00 63.00 O ATOM 532 CB LYS A 35 -18.674 21.212 -8.335 1.00 31.33 C ATOM 533 CG LYS A 35 -19.455 22.307 -9.041 1.00 21.43 C ATOM 534 CD LYS A 35 -20.458 21.730 -10.026 1.00 21.23 C ATOM 535 CE LYS A 35 -21.625 21.067 -9.309 1.00 44.24 C ATOM 536 NZ LYS A 35 -22.232 19.980 -10.126 1.00 65.21 N ATOM 0 H LYS A 35 -16.912 22.802 -7.679 1.00 3.23 H new ATOM 0 HA LYS A 35 -16.813 20.140 -8.452 1.00 34.22 H new ATOM 0 HB2 LYS A 35 -19.188 20.261 -8.477 1.00 31.33 H new ATOM 0 HB3 LYS A 35 -18.668 21.414 -7.264 1.00 31.33 H new ATOM 0 HG2 LYS A 35 -19.977 22.916 -8.303 1.00 21.43 H new ATOM 0 HG3 LYS A 35 -18.765 22.966 -9.567 1.00 21.43 H new ATOM 0 HD2 LYS A 35 -20.831 22.523 -10.674 1.00 21.23 H new ATOM 0 HD3 LYS A 35 -19.962 21.001 -10.667 1.00 21.23 H new ATOM 0 HE2 LYS A 35 -21.282 20.659 -8.358 1.00 44.24 H new ATOM 0 HE3 LYS A 35 -22.383 21.816 -9.080 1.00 44.24 H new ATOM 0 HZ1 LYS A 35 -22.598 19.237 -9.498 1.00 65.21 H new ATOM 0 HZ2 LYS A 35 -23.012 20.367 -10.695 1.00 65.21 H new ATOM 0 HZ3 LYS A 35 -21.511 19.576 -10.757 1.00 65.21 H new ATOM 550 N SER A 36 -17.504 19.886 -10.920 1.00 41.33 N ATOM 551 CA SER A 36 -17.509 19.726 -12.370 1.00 2.23 C ATOM 552 C SER A 36 -18.914 19.915 -12.932 1.00 73.24 C ATOM 553 O SER A 36 -19.809 19.108 -12.681 1.00 31.43 O ATOM 554 CB SER A 36 -16.975 18.345 -12.753 1.00 62.31 C ATOM 555 OG SER A 36 -16.274 18.393 -13.984 1.00 23.53 O ATOM 0 H SER A 36 -17.750 19.043 -10.401 1.00 41.33 H new ATOM 0 HA SER A 36 -16.860 20.490 -12.798 1.00 2.23 H new ATOM 0 HB2 SER A 36 -16.314 17.977 -11.968 1.00 62.31 H new ATOM 0 HB3 SER A 36 -17.803 17.640 -12.829 1.00 62.31 H new ATOM 0 HG SER A 36 -15.941 17.498 -14.206 1.00 23.53 H new ATOM 561 N ASP A 37 -19.100 20.986 -13.695 1.00 52.41 N ATOM 562 CA ASP A 37 -20.396 21.282 -14.295 1.00 40.24 C ATOM 563 C ASP A 37 -20.913 20.086 -15.089 1.00 44.54 C ATOM 564 O ASP A 37 -22.121 19.866 -15.184 1.00 62.23 O ATOM 565 CB ASP A 37 -20.293 22.508 -15.204 1.00 70.14 C ATOM 566 CG ASP A 37 -20.091 23.792 -14.424 1.00 61.12 C ATOM 567 OD1 ASP A 37 -21.079 24.302 -13.855 1.00 5.42 O ATOM 568 OD2 ASP A 37 -18.945 24.286 -14.382 1.00 60.02 O ATOM 0 H ASP A 37 -18.370 21.664 -13.913 1.00 52.41 H new ATOM 0 HA ASP A 37 -21.101 21.494 -13.491 1.00 40.24 H new ATOM 0 HB2 ASP A 37 -19.463 22.373 -15.898 1.00 70.14 H new ATOM 0 HB3 ASP A 37 -21.200 22.589 -15.803 1.00 70.14 H new ATOM 573 N LEU A 38 -19.991 19.318 -15.659 1.00 43.42 N ATOM 574 CA LEU A 38 -20.353 18.145 -16.447 1.00 24.13 C ATOM 575 C LEU A 38 -20.884 17.031 -15.551 1.00 31.32 C ATOM 576 O LEU A 38 -21.917 16.427 -15.841 1.00 20.31 O ATOM 577 CB LEU A 38 -19.143 17.645 -17.239 1.00 32.13 C ATOM 578 CG LEU A 38 -18.579 18.610 -18.282 1.00 62.42 C ATOM 579 CD1 LEU A 38 -17.391 17.986 -18.998 1.00 70.14 C ATOM 580 CD2 LEU A 38 -19.657 19.007 -19.280 1.00 31.32 C ATOM 0 H LEU A 38 -18.987 19.486 -15.590 1.00 43.42 H new ATOM 0 HA LEU A 38 -21.141 18.434 -17.143 1.00 24.13 H new ATOM 0 HB2 LEU A 38 -18.349 17.399 -16.534 1.00 32.13 H new ATOM 0 HB3 LEU A 38 -19.421 16.719 -17.742 1.00 32.13 H new ATOM 0 HG LEU A 38 -18.238 19.510 -17.770 1.00 62.42 H new ATOM 0 HD11 LEU A 38 -17.002 18.687 -19.737 1.00 70.14 H new ATOM 0 HD12 LEU A 38 -16.611 17.753 -18.273 1.00 70.14 H new ATOM 0 HD13 LEU A 38 -17.707 17.070 -19.498 1.00 70.14 H new ATOM 0 HD21 LEU A 38 -19.237 19.694 -20.015 1.00 31.32 H new ATOM 0 HD22 LEU A 38 -20.029 18.117 -19.787 1.00 31.32 H new ATOM 0 HD23 LEU A 38 -20.478 19.495 -18.754 1.00 31.32 H new ATOM 592 N ASP A 39 -20.173 16.765 -14.461 1.00 0.34 N ATOM 593 CA ASP A 39 -20.575 15.726 -13.520 1.00 23.02 C ATOM 594 C ASP A 39 -20.545 16.249 -12.087 1.00 60.11 C ATOM 595 O ASP A 39 -19.523 16.752 -11.621 1.00 1.35 O ATOM 596 CB ASP A 39 -19.659 14.508 -13.651 1.00 4.25 C ATOM 597 CG ASP A 39 -20.112 13.347 -12.787 1.00 3.51 C ATOM 598 OD1 ASP A 39 -21.114 13.505 -12.059 1.00 13.21 O ATOM 599 OD2 ASP A 39 -19.464 12.281 -12.840 1.00 13.23 O ATOM 0 H ASP A 39 -19.315 17.255 -14.207 1.00 0.34 H new ATOM 0 HA ASP A 39 -21.597 15.430 -13.758 1.00 23.02 H new ATOM 0 HB2 ASP A 39 -19.628 14.191 -14.693 1.00 4.25 H new ATOM 0 HB3 ASP A 39 -18.643 14.789 -13.373 1.00 4.25 H new ATOM 604 N ASP A 40 -21.672 16.127 -11.395 1.00 13.20 N ATOM 605 CA ASP A 40 -21.776 16.588 -10.015 1.00 62.41 C ATOM 606 C ASP A 40 -20.926 15.723 -9.089 1.00 11.33 C ATOM 607 O ASP A 40 -20.571 16.141 -7.986 1.00 72.04 O ATOM 608 CB ASP A 40 -23.235 16.567 -9.556 1.00 43.13 C ATOM 609 CG ASP A 40 -23.411 17.138 -8.163 1.00 35.10 C ATOM 610 OD1 ASP A 40 -22.601 18.002 -7.768 1.00 40.53 O ATOM 611 OD2 ASP A 40 -24.361 16.721 -7.467 1.00 62.24 O ATOM 0 H ASP A 40 -22.527 15.713 -11.767 1.00 13.20 H new ATOM 0 HA ASP A 40 -21.404 17.612 -9.970 1.00 62.41 H new ATOM 0 HB2 ASP A 40 -23.842 17.137 -10.259 1.00 43.13 H new ATOM 0 HB3 ASP A 40 -23.604 15.542 -9.575 1.00 43.13 H new ATOM 616 N ARG A 41 -20.605 14.517 -9.543 1.00 65.44 N ATOM 617 CA ARG A 41 -19.799 13.593 -8.754 1.00 64.35 C ATOM 618 C ARG A 41 -18.324 13.698 -9.133 1.00 31.12 C ATOM 619 O ARG A 41 -17.573 12.728 -9.023 1.00 55.33 O ATOM 620 CB ARG A 41 -20.287 12.157 -8.956 1.00 23.11 C ATOM 621 CG ARG A 41 -21.781 11.985 -8.735 1.00 25.33 C ATOM 622 CD ARG A 41 -22.132 12.016 -7.256 1.00 21.35 C ATOM 623 NE ARG A 41 -23.564 12.199 -7.037 1.00 12.11 N ATOM 624 CZ ARG A 41 -24.183 11.874 -5.907 1.00 43.40 C ATOM 625 NH1 ARG A 41 -23.498 11.353 -4.899 1.00 3.14 N ATOM 626 NH2 ARG A 41 -25.489 12.071 -5.784 1.00 51.51 N ATOM 0 H ARG A 41 -20.891 14.156 -10.453 1.00 65.44 H new ATOM 0 HA ARG A 41 -19.907 13.862 -7.703 1.00 64.35 H new ATOM 0 HB2 ARG A 41 -20.039 11.837 -9.968 1.00 23.11 H new ATOM 0 HB3 ARG A 41 -19.749 11.500 -8.273 1.00 23.11 H new ATOM 0 HG2 ARG A 41 -22.320 12.777 -9.255 1.00 25.33 H new ATOM 0 HG3 ARG A 41 -22.108 11.039 -9.168 1.00 25.33 H new ATOM 0 HD2 ARG A 41 -21.810 11.086 -6.787 1.00 21.35 H new ATOM 0 HD3 ARG A 41 -21.585 12.824 -6.770 1.00 21.35 H new ATOM 0 HE ARG A 41 -24.120 12.598 -7.793 1.00 12.11 H new ATOM 0 HH11 ARG A 41 -22.494 11.201 -4.990 1.00 3.14 H new ATOM 0 HH12 ARG A 41 -23.975 11.104 -4.033 1.00 3.14 H new ATOM 0 HH21 ARG A 41 -26.019 12.472 -6.557 1.00 51.51 H new ATOM 0 HH22 ARG A 41 -25.963 11.821 -4.916 1.00 51.51 H new ATOM 640 N VAL A 42 -17.916 14.882 -9.579 1.00 61.41 N ATOM 641 CA VAL A 42 -16.532 15.114 -9.973 1.00 44.13 C ATOM 642 C VAL A 42 -16.066 16.503 -9.552 1.00 12.31 C ATOM 643 O VAL A 42 -16.755 17.497 -9.785 1.00 4.34 O ATOM 644 CB VAL A 42 -16.348 14.963 -11.495 1.00 74.01 C ATOM 645 CG1 VAL A 42 -14.894 15.185 -11.883 1.00 34.03 C ATOM 646 CG2 VAL A 42 -16.829 13.595 -11.956 1.00 3.11 C ATOM 0 H VAL A 42 -18.524 15.695 -9.676 1.00 61.41 H new ATOM 0 HA VAL A 42 -15.929 14.362 -9.465 1.00 44.13 H new ATOM 0 HB VAL A 42 -16.951 15.722 -11.993 1.00 74.01 H new ATOM 0 HG11 VAL A 42 -14.784 15.074 -12.962 1.00 34.03 H new ATOM 0 HG12 VAL A 42 -14.588 16.189 -11.588 1.00 34.03 H new ATOM 0 HG13 VAL A 42 -14.266 14.451 -11.377 1.00 34.03 H new ATOM 0 HG21 VAL A 42 -16.692 13.505 -13.034 1.00 3.11 H new ATOM 0 HG22 VAL A 42 -16.255 12.818 -11.451 1.00 3.11 H new ATOM 0 HG23 VAL A 42 -17.886 13.480 -11.714 1.00 3.11 H new ATOM 656 N TYR A 43 -14.893 16.565 -8.931 1.00 54.12 N ATOM 657 CA TYR A 43 -14.336 17.833 -8.475 1.00 61.11 C ATOM 658 C TYR A 43 -12.892 17.992 -8.942 1.00 12.53 C ATOM 659 O TYR A 43 -12.061 17.109 -8.737 1.00 23.24 O ATOM 660 CB TYR A 43 -14.404 17.924 -6.950 1.00 3.53 C ATOM 661 CG TYR A 43 -15.728 18.438 -6.432 1.00 74.22 C ATOM 662 CD1 TYR A 43 -16.824 17.593 -6.312 1.00 34.42 C ATOM 663 CD2 TYR A 43 -15.883 19.768 -6.063 1.00 15.33 C ATOM 664 CE1 TYR A 43 -18.037 18.058 -5.840 1.00 63.42 C ATOM 665 CE2 TYR A 43 -17.092 20.242 -5.589 1.00 23.24 C ATOM 666 CZ TYR A 43 -18.165 19.383 -5.480 1.00 33.23 C ATOM 667 OH TYR A 43 -19.371 19.850 -5.008 1.00 62.41 O ATOM 0 H TYR A 43 -14.310 15.752 -8.732 1.00 54.12 H new ATOM 0 HA TYR A 43 -14.929 18.639 -8.907 1.00 61.11 H new ATOM 0 HB2 TYR A 43 -14.216 16.937 -6.527 1.00 3.53 H new ATOM 0 HB3 TYR A 43 -13.607 18.579 -6.598 1.00 3.53 H new ATOM 0 HD1 TYR A 43 -16.727 16.555 -6.592 1.00 34.42 H new ATOM 0 HD2 TYR A 43 -15.045 20.443 -6.148 1.00 15.33 H new ATOM 0 HE1 TYR A 43 -18.879 17.388 -5.754 1.00 63.42 H new ATOM 0 HE2 TYR A 43 -17.195 21.279 -5.306 1.00 23.24 H new ATOM 0 HH TYR A 43 -19.293 20.804 -4.798 1.00 62.41 H new ATOM 677 N MET A 44 -12.602 19.127 -9.570 1.00 55.03 N ATOM 678 CA MET A 44 -11.259 19.405 -10.065 1.00 20.41 C ATOM 679 C MET A 44 -10.436 20.145 -9.016 1.00 4.02 C ATOM 680 O MET A 44 -10.785 21.252 -8.606 1.00 1.10 O ATOM 681 CB MET A 44 -11.326 20.229 -11.352 1.00 74.21 C ATOM 682 CG MET A 44 -12.057 21.552 -11.189 1.00 75.51 C ATOM 683 SD MET A 44 -13.469 21.707 -12.300 1.00 61.44 S ATOM 684 CE MET A 44 -12.963 23.106 -13.297 1.00 63.24 C ATOM 0 H MET A 44 -13.279 19.869 -9.748 1.00 55.03 H new ATOM 0 HA MET A 44 -10.773 18.453 -10.278 1.00 20.41 H new ATOM 0 HB2 MET A 44 -10.312 20.424 -11.702 1.00 74.21 H new ATOM 0 HB3 MET A 44 -11.822 19.642 -12.124 1.00 74.21 H new ATOM 0 HG2 MET A 44 -12.398 21.650 -10.158 1.00 75.51 H new ATOM 0 HG3 MET A 44 -11.363 22.372 -11.374 1.00 75.51 H new ATOM 0 HE1 MET A 44 -13.735 23.326 -14.034 1.00 63.24 H new ATOM 0 HE2 MET A 44 -12.815 23.975 -12.656 1.00 63.24 H new ATOM 0 HE3 MET A 44 -12.030 22.870 -13.809 1.00 63.24 H new ATOM 694 N VAL A 45 -9.341 19.527 -8.584 1.00 62.45 N ATOM 695 CA VAL A 45 -8.467 20.128 -7.584 1.00 34.34 C ATOM 696 C VAL A 45 -7.245 20.766 -8.233 1.00 65.42 C ATOM 697 O VAL A 45 -6.399 20.074 -8.802 1.00 72.40 O ATOM 698 CB VAL A 45 -8.001 19.087 -6.548 1.00 41.12 C ATOM 699 CG1 VAL A 45 -7.071 19.728 -5.529 1.00 33.42 C ATOM 700 CG2 VAL A 45 -9.197 18.446 -5.862 1.00 34.31 C ATOM 0 H VAL A 45 -9.038 18.610 -8.911 1.00 62.45 H new ATOM 0 HA VAL A 45 -9.048 20.899 -7.078 1.00 34.34 H new ATOM 0 HB VAL A 45 -7.448 18.305 -7.068 1.00 41.12 H new ATOM 0 HG11 VAL A 45 -6.752 18.978 -4.805 1.00 33.42 H new ATOM 0 HG12 VAL A 45 -6.198 20.135 -6.039 1.00 33.42 H new ATOM 0 HG13 VAL A 45 -7.596 20.531 -5.012 1.00 33.42 H new ATOM 0 HG21 VAL A 45 -8.849 17.713 -5.134 1.00 34.31 H new ATOM 0 HG22 VAL A 45 -9.780 19.214 -5.354 1.00 34.31 H new ATOM 0 HG23 VAL A 45 -9.820 17.950 -6.606 1.00 34.31 H new ATOM 710 N CYS A 46 -7.157 22.088 -8.144 1.00 63.04 N ATOM 711 CA CYS A 46 -6.036 22.821 -8.724 1.00 75.50 C ATOM 712 C CYS A 46 -4.934 23.033 -7.692 1.00 42.41 C ATOM 713 O CYS A 46 -5.114 23.763 -6.716 1.00 51.44 O ATOM 714 CB CYS A 46 -6.509 24.169 -9.269 1.00 12.23 C ATOM 715 SG CYS A 46 -7.243 24.083 -10.919 1.00 64.42 S ATOM 0 H CYS A 46 -7.848 22.675 -7.676 1.00 63.04 H new ATOM 0 HA CYS A 46 -5.631 22.229 -9.544 1.00 75.50 H new ATOM 0 HB2 CYS A 46 -7.240 24.591 -8.580 1.00 12.23 H new ATOM 0 HB3 CYS A 46 -5.663 24.855 -9.295 1.00 12.23 H new ATOM 0 HG CYS A 46 -7.614 25.272 -11.292 1.00 64.42 H new ATOM 721 N LEU A 47 -3.792 22.390 -7.913 1.00 14.44 N ATOM 722 CA LEU A 47 -2.660 22.508 -7.001 1.00 23.32 C ATOM 723 C LEU A 47 -1.927 23.829 -7.210 1.00 12.25 C ATOM 724 O LEU A 47 -2.230 24.580 -8.138 1.00 24.44 O ATOM 725 CB LEU A 47 -1.694 21.339 -7.203 1.00 30.32 C ATOM 726 CG LEU A 47 -2.293 19.940 -7.055 1.00 75.35 C ATOM 727 CD1 LEU A 47 -1.296 18.882 -7.501 1.00 22.11 C ATOM 728 CD2 LEU A 47 -2.728 19.694 -5.618 1.00 4.22 C ATOM 0 H LEU A 47 -3.626 21.782 -8.715 1.00 14.44 H new ATOM 0 HA LEU A 47 -3.043 22.484 -5.981 1.00 23.32 H new ATOM 0 HB2 LEU A 47 -1.258 21.422 -8.198 1.00 30.32 H new ATOM 0 HB3 LEU A 47 -0.878 21.440 -6.488 1.00 30.32 H new ATOM 0 HG LEU A 47 -3.173 19.874 -7.695 1.00 75.35 H new ATOM 0 HD11 LEU A 47 -1.740 17.893 -7.388 1.00 22.11 H new ATOM 0 HD12 LEU A 47 -1.035 19.046 -8.547 1.00 22.11 H new ATOM 0 HD13 LEU A 47 -0.397 18.948 -6.888 1.00 22.11 H new ATOM 0 HD21 LEU A 47 -3.152 18.693 -5.532 1.00 4.22 H new ATOM 0 HD22 LEU A 47 -1.866 19.781 -4.957 1.00 4.22 H new ATOM 0 HD23 LEU A 47 -3.479 20.431 -5.334 1.00 4.22 H new ATOM 740 N LYS A 48 -0.960 24.107 -6.341 1.00 55.34 N ATOM 741 CA LYS A 48 -0.181 25.336 -6.431 1.00 50.34 C ATOM 742 C LYS A 48 1.039 25.143 -7.326 1.00 70.52 C ATOM 743 O LYS A 48 1.268 24.053 -7.851 1.00 33.04 O ATOM 744 CB LYS A 48 0.262 25.787 -5.038 1.00 20.35 C ATOM 745 CG LYS A 48 -0.712 26.740 -4.368 1.00 54.32 C ATOM 746 CD LYS A 48 -0.211 27.183 -3.004 1.00 32.13 C ATOM 747 CE LYS A 48 -1.363 27.463 -2.051 1.00 31.44 C ATOM 748 NZ LYS A 48 -1.825 28.876 -2.138 1.00 60.43 N ATOM 0 H LYS A 48 -0.698 23.497 -5.567 1.00 55.34 H new ATOM 0 HA LYS A 48 -0.815 26.106 -6.871 1.00 50.34 H new ATOM 0 HB2 LYS A 48 0.391 24.909 -4.405 1.00 20.35 H new ATOM 0 HB3 LYS A 48 1.236 26.271 -5.115 1.00 20.35 H new ATOM 0 HG2 LYS A 48 -0.862 27.613 -5.003 1.00 54.32 H new ATOM 0 HG3 LYS A 48 -1.682 26.254 -4.260 1.00 54.32 H new ATOM 0 HD2 LYS A 48 0.432 26.410 -2.583 1.00 32.13 H new ATOM 0 HD3 LYS A 48 0.399 28.080 -3.113 1.00 32.13 H new ATOM 0 HE2 LYS A 48 -2.193 26.795 -2.279 1.00 31.44 H new ATOM 0 HE3 LYS A 48 -1.050 27.246 -1.030 1.00 31.44 H new ATOM 0 HZ1 LYS A 48 -2.684 28.997 -1.564 1.00 60.43 H new ATOM 0 HZ2 LYS A 48 -1.079 29.508 -1.783 1.00 60.43 H new ATOM 0 HZ3 LYS A 48 -2.035 29.112 -3.129 1.00 60.43 H new ATOM 762 N GLN A 49 1.819 26.206 -7.494 1.00 73.35 N ATOM 763 CA GLN A 49 3.016 26.151 -8.325 1.00 74.24 C ATOM 764 C GLN A 49 4.241 25.792 -7.492 1.00 2.14 C ATOM 765 O GLN A 49 4.661 26.558 -6.625 1.00 35.22 O ATOM 766 CB GLN A 49 3.236 27.492 -9.028 1.00 25.43 C ATOM 767 CG GLN A 49 4.352 27.461 -10.060 1.00 51.20 C ATOM 768 CD GLN A 49 4.144 28.469 -11.174 1.00 21.34 C ATOM 769 OE1 GLN A 49 4.268 29.676 -10.965 1.00 73.01 O ATOM 770 NE2 GLN A 49 3.827 27.977 -12.365 1.00 54.05 N ATOM 0 H GLN A 49 1.644 27.115 -7.066 1.00 73.35 H new ATOM 0 HA GLN A 49 2.871 25.375 -9.076 1.00 74.24 H new ATOM 0 HB2 GLN A 49 2.309 27.793 -9.516 1.00 25.43 H new ATOM 0 HB3 GLN A 49 3.464 28.252 -8.280 1.00 25.43 H new ATOM 0 HG2 GLN A 49 5.303 27.661 -9.567 1.00 51.20 H new ATOM 0 HG3 GLN A 49 4.419 26.461 -10.488 1.00 51.20 H new ATOM 0 HE21 GLN A 49 3.735 26.969 -12.492 1.00 54.05 H new ATOM 0 HE22 GLN A 49 3.676 28.607 -13.153 1.00 54.05 H new ATOM 779 N GLY A 50 4.812 24.621 -7.760 1.00 14.22 N ATOM 780 CA GLY A 50 5.983 24.181 -7.025 1.00 43.32 C ATOM 781 C GLY A 50 5.665 23.082 -6.031 1.00 3.21 C ATOM 782 O GLY A 50 6.559 22.365 -5.582 1.00 30.33 O ATOM 0 H GLY A 50 4.484 23.970 -8.473 1.00 14.22 H new ATOM 0 HA2 GLY A 50 6.736 23.824 -7.728 1.00 43.32 H new ATOM 0 HA3 GLY A 50 6.417 25.030 -6.497 1.00 43.32 H new ATOM 786 N SER A 51 4.389 22.951 -5.685 1.00 32.52 N ATOM 787 CA SER A 51 3.956 21.934 -4.733 1.00 12.43 C ATOM 788 C SER A 51 3.569 20.646 -5.452 1.00 24.41 C ATOM 789 O SER A 51 3.361 20.636 -6.666 1.00 20.43 O ATOM 790 CB SER A 51 2.772 22.447 -3.910 1.00 42.42 C ATOM 791 OG SER A 51 3.109 23.639 -3.221 1.00 34.35 O ATOM 0 H SER A 51 3.637 23.536 -6.049 1.00 32.52 H new ATOM 0 HA SER A 51 4.790 21.720 -4.064 1.00 12.43 H new ATOM 0 HB2 SER A 51 1.921 22.630 -4.566 1.00 42.42 H new ATOM 0 HB3 SER A 51 2.464 21.684 -3.195 1.00 42.42 H new ATOM 0 HG SER A 51 2.336 23.948 -2.704 1.00 34.35 H new ATOM 797 N THR A 52 3.475 19.557 -4.694 1.00 4.53 N ATOM 798 CA THR A 52 3.116 18.262 -5.257 1.00 14.32 C ATOM 799 C THR A 52 2.276 17.451 -4.277 1.00 25.44 C ATOM 800 O THR A 52 2.615 17.339 -3.098 1.00 50.21 O ATOM 801 CB THR A 52 4.366 17.449 -5.640 1.00 45.31 C ATOM 802 OG1 THR A 52 5.230 18.239 -6.466 1.00 73.52 O ATOM 803 CG2 THR A 52 3.979 16.175 -6.375 1.00 23.44 C ATOM 0 H THR A 52 3.643 19.547 -3.688 1.00 4.53 H new ATOM 0 HA THR A 52 2.532 18.459 -6.156 1.00 14.32 H new ATOM 0 HB THR A 52 4.889 17.176 -4.724 1.00 45.31 H new ATOM 0 HG1 THR A 52 4.873 18.269 -7.378 1.00 73.52 H new ATOM 0 HG21 THR A 52 4.879 15.617 -6.635 1.00 23.44 H new ATOM 0 HG22 THR A 52 3.346 15.563 -5.733 1.00 23.44 H new ATOM 0 HG23 THR A 52 3.435 16.431 -7.284 1.00 23.44 H new ATOM 811 N PHE A 53 1.181 16.884 -4.771 1.00 14.32 N ATOM 812 CA PHE A 53 0.292 16.082 -3.938 1.00 3.24 C ATOM 813 C PHE A 53 0.740 14.624 -3.913 1.00 32.32 C ATOM 814 O PHE A 53 0.418 13.848 -4.813 1.00 15.20 O ATOM 815 CB PHE A 53 -1.146 16.177 -4.450 1.00 53.50 C ATOM 816 CG PHE A 53 -2.171 15.731 -3.447 1.00 22.24 C ATOM 817 CD1 PHE A 53 -2.234 14.407 -3.043 1.00 63.35 C ATOM 818 CD2 PHE A 53 -3.071 16.635 -2.907 1.00 14.00 C ATOM 819 CE1 PHE A 53 -3.175 13.992 -2.120 1.00 51.40 C ATOM 820 CE2 PHE A 53 -4.015 16.227 -1.983 1.00 25.41 C ATOM 821 CZ PHE A 53 -4.067 14.904 -1.590 1.00 33.51 C ATOM 0 H PHE A 53 0.887 16.965 -5.744 1.00 14.32 H new ATOM 0 HA PHE A 53 0.334 16.475 -2.922 1.00 3.24 H new ATOM 0 HB2 PHE A 53 -1.354 17.208 -4.736 1.00 53.50 H new ATOM 0 HB3 PHE A 53 -1.243 15.571 -5.351 1.00 53.50 H new ATOM 0 HD1 PHE A 53 -1.539 13.690 -3.455 1.00 63.35 H new ATOM 0 HD2 PHE A 53 -3.035 17.671 -3.211 1.00 14.00 H new ATOM 0 HE1 PHE A 53 -3.213 12.957 -1.814 1.00 51.40 H new ATOM 0 HE2 PHE A 53 -4.711 16.942 -1.569 1.00 25.41 H new ATOM 0 HZ PHE A 53 -4.804 14.583 -0.869 1.00 33.51 H new ATOM 831 N VAL A 54 1.486 14.257 -2.875 1.00 55.22 N ATOM 832 CA VAL A 54 1.978 12.892 -2.731 1.00 54.34 C ATOM 833 C VAL A 54 1.211 12.143 -1.648 1.00 32.13 C ATOM 834 O VAL A 54 0.845 12.717 -0.621 1.00 74.21 O ATOM 835 CB VAL A 54 3.480 12.870 -2.391 1.00 14.22 C ATOM 836 CG1 VAL A 54 3.946 11.447 -2.125 1.00 20.00 C ATOM 837 CG2 VAL A 54 4.289 13.505 -3.512 1.00 20.25 C ATOM 0 H VAL A 54 1.763 14.886 -2.122 1.00 55.22 H new ATOM 0 HA VAL A 54 1.823 12.397 -3.690 1.00 54.34 H new ATOM 0 HB VAL A 54 3.639 13.454 -1.484 1.00 14.22 H new ATOM 0 HG11 VAL A 54 5.010 11.451 -1.886 1.00 20.00 H new ATOM 0 HG12 VAL A 54 3.388 11.032 -1.286 1.00 20.00 H new ATOM 0 HG13 VAL A 54 3.775 10.837 -3.012 1.00 20.00 H new ATOM 0 HG21 VAL A 54 5.348 13.481 -3.255 1.00 20.25 H new ATOM 0 HG22 VAL A 54 4.127 12.951 -4.437 1.00 20.25 H new ATOM 0 HG23 VAL A 54 3.972 14.539 -3.649 1.00 20.25 H new ATOM 847 N LEU A 55 0.971 10.858 -1.882 1.00 31.51 N ATOM 848 CA LEU A 55 0.247 10.027 -0.925 1.00 44.40 C ATOM 849 C LEU A 55 1.153 8.943 -0.351 1.00 22.21 C ATOM 850 O LEU A 55 1.449 7.951 -1.016 1.00 50.21 O ATOM 851 CB LEU A 55 -0.972 9.389 -1.593 1.00 64.12 C ATOM 852 CG LEU A 55 -2.179 10.304 -1.802 1.00 22.12 C ATOM 853 CD1 LEU A 55 -3.184 9.656 -2.742 1.00 25.03 C ATOM 854 CD2 LEU A 55 -2.832 10.638 -0.468 1.00 65.04 C ATOM 0 H LEU A 55 1.267 10.368 -2.726 1.00 31.51 H new ATOM 0 HA LEU A 55 -0.088 10.665 -0.107 1.00 44.40 H new ATOM 0 HB2 LEU A 55 -0.666 8.997 -2.563 1.00 64.12 H new ATOM 0 HB3 LEU A 55 -1.287 8.537 -0.990 1.00 64.12 H new ATOM 0 HG LEU A 55 -1.833 11.232 -2.257 1.00 22.12 H new ATOM 0 HD11 LEU A 55 -4.036 10.322 -2.879 1.00 25.03 H new ATOM 0 HD12 LEU A 55 -2.712 9.468 -3.706 1.00 25.03 H new ATOM 0 HD13 LEU A 55 -3.525 8.713 -2.316 1.00 25.03 H new ATOM 0 HD21 LEU A 55 -3.689 11.290 -0.636 1.00 65.04 H new ATOM 0 HD22 LEU A 55 -3.164 9.719 0.015 1.00 65.04 H new ATOM 0 HD23 LEU A 55 -2.111 11.145 0.173 1.00 65.04 H new ATOM 866 N ASN A 56 1.589 9.138 0.890 1.00 53.14 N ATOM 867 CA ASN A 56 2.460 8.176 1.554 1.00 34.44 C ATOM 868 C ASN A 56 1.748 6.839 1.745 1.00 44.25 C ATOM 869 O ASN A 56 2.386 5.790 1.820 1.00 22.04 O ATOM 870 CB ASN A 56 2.916 8.720 2.909 1.00 2.33 C ATOM 871 CG ASN A 56 3.954 9.818 2.771 1.00 30.52 C ATOM 872 OD1 ASN A 56 4.497 10.041 1.689 1.00 11.22 O ATOM 873 ND2 ASN A 56 4.234 10.508 3.870 1.00 25.04 N ATOM 0 H ASN A 56 1.353 9.954 1.455 1.00 53.14 H new ATOM 0 HA ASN A 56 3.333 8.017 0.921 1.00 34.44 H new ATOM 0 HB2 ASN A 56 2.053 9.106 3.452 1.00 2.33 H new ATOM 0 HB3 ASN A 56 3.329 7.906 3.504 1.00 2.33 H new ATOM 0 HD21 ASN A 56 4.924 11.258 3.839 1.00 25.04 H new ATOM 0 HD22 ASN A 56 3.759 10.288 4.745 1.00 25.04 H new ATOM 880 N GLY A 57 0.422 6.886 1.820 1.00 13.42 N ATOM 881 CA GLY A 57 -0.355 5.674 2.000 1.00 24.52 C ATOM 882 C GLY A 57 -1.289 5.405 0.837 1.00 0.32 C ATOM 883 O GLY A 57 -2.290 4.705 0.984 1.00 25.25 O ATOM 0 H GLY A 57 -0.129 7.743 1.759 1.00 13.42 H new ATOM 0 HA2 GLY A 57 0.321 4.828 2.122 1.00 24.52 H new ATOM 0 HA3 GLY A 57 -0.937 5.752 2.918 1.00 24.52 H new ATOM 887 N GLY A 58 -0.963 5.966 -0.324 1.00 21.23 N ATOM 888 CA GLY A 58 -1.792 5.773 -1.499 1.00 43.02 C ATOM 889 C GLY A 58 -3.135 6.466 -1.382 1.00 4.32 C ATOM 890 O GLY A 58 -3.276 7.438 -0.639 1.00 1.02 O ATOM 0 H GLY A 58 -0.140 6.550 -0.471 1.00 21.23 H new ATOM 0 HA2 GLY A 58 -1.267 6.151 -2.376 1.00 43.02 H new ATOM 0 HA3 GLY A 58 -1.950 4.706 -1.657 1.00 43.02 H new ATOM 894 N ILE A 59 -4.122 5.968 -2.118 1.00 33.25 N ATOM 895 CA ILE A 59 -5.460 6.546 -2.093 1.00 1.54 C ATOM 896 C ILE A 59 -6.229 6.100 -0.854 1.00 0.12 C ATOM 897 O ILE A 59 -7.167 6.768 -0.420 1.00 3.22 O ATOM 898 CB ILE A 59 -6.264 6.161 -3.349 1.00 24.04 C ATOM 899 CG1 ILE A 59 -5.486 6.534 -4.613 1.00 12.05 C ATOM 900 CG2 ILE A 59 -7.624 6.842 -3.337 1.00 20.15 C ATOM 901 CD1 ILE A 59 -5.278 8.023 -4.776 1.00 51.34 C ATOM 0 H ILE A 59 -4.021 5.165 -2.739 1.00 33.25 H new ATOM 0 HA ILE A 59 -5.335 7.629 -2.070 1.00 1.54 H new ATOM 0 HB ILE A 59 -6.420 5.082 -3.346 1.00 24.04 H new ATOM 0 HG12 ILE A 59 -4.515 6.040 -4.591 1.00 12.05 H new ATOM 0 HG13 ILE A 59 -6.019 6.152 -5.484 1.00 12.05 H new ATOM 0 HG21 ILE A 59 -8.180 6.560 -4.231 1.00 20.15 H new ATOM 0 HG22 ILE A 59 -8.179 6.531 -2.452 1.00 20.15 H new ATOM 0 HG23 ILE A 59 -7.489 7.923 -3.320 1.00 20.15 H new ATOM 0 HD11 ILE A 59 -4.720 8.214 -5.692 1.00 51.34 H new ATOM 0 HD12 ILE A 59 -6.246 8.522 -4.830 1.00 51.34 H new ATOM 0 HD13 ILE A 59 -4.718 8.408 -3.923 1.00 51.34 H new ATOM 913 N GLU A 60 -5.824 4.967 -0.289 1.00 2.13 N ATOM 914 CA GLU A 60 -6.475 4.432 0.901 1.00 0.45 C ATOM 915 C GLU A 60 -6.359 5.407 2.070 1.00 42.44 C ATOM 916 O GLU A 60 -7.333 5.664 2.776 1.00 53.14 O ATOM 917 CB GLU A 60 -5.860 3.085 1.285 1.00 62.24 C ATOM 918 CG GLU A 60 -5.726 2.123 0.116 1.00 24.22 C ATOM 919 CD GLU A 60 -5.312 0.730 0.552 1.00 53.35 C ATOM 920 OE1 GLU A 60 -4.547 0.619 1.532 1.00 64.31 O ATOM 921 OE2 GLU A 60 -5.754 -0.247 -0.088 1.00 22.34 O ATOM 0 H GLU A 60 -5.049 4.402 -0.636 1.00 2.13 H new ATOM 0 HA GLU A 60 -7.531 4.289 0.672 1.00 0.45 H new ATOM 0 HB2 GLU A 60 -4.875 3.255 1.720 1.00 62.24 H new ATOM 0 HB3 GLU A 60 -6.474 2.622 2.058 1.00 62.24 H new ATOM 0 HG2 GLU A 60 -6.677 2.066 -0.414 1.00 24.22 H new ATOM 0 HG3 GLU A 60 -4.991 2.513 -0.588 1.00 24.22 H new ATOM 928 N GLU A 61 -5.160 5.946 2.266 1.00 5.31 N ATOM 929 CA GLU A 61 -4.916 6.892 3.349 1.00 22.43 C ATOM 930 C GLU A 61 -5.785 8.136 3.191 1.00 21.13 C ATOM 931 O GLU A 61 -6.206 8.743 4.177 1.00 24.43 O ATOM 932 CB GLU A 61 -3.439 7.289 3.386 1.00 3.14 C ATOM 933 CG GLU A 61 -3.051 8.293 2.314 1.00 74.05 C ATOM 934 CD GLU A 61 -3.157 9.728 2.792 1.00 71.01 C ATOM 935 OE1 GLU A 61 -2.408 10.102 3.719 1.00 75.32 O ATOM 936 OE2 GLU A 61 -3.989 10.477 2.238 1.00 1.45 O ATOM 0 H GLU A 61 -4.343 5.744 1.690 1.00 5.31 H new ATOM 0 HA GLU A 61 -5.177 6.405 4.288 1.00 22.43 H new ATOM 0 HB2 GLU A 61 -3.209 7.709 4.365 1.00 3.14 H new ATOM 0 HB3 GLU A 61 -2.828 6.394 3.271 1.00 3.14 H new ATOM 0 HG2 GLU A 61 -2.029 8.096 1.991 1.00 74.05 H new ATOM 0 HG3 GLU A 61 -3.693 8.156 1.444 1.00 74.05 H new ATOM 943 N LEU A 62 -6.049 8.511 1.945 1.00 74.03 N ATOM 944 CA LEU A 62 -6.868 9.683 1.656 1.00 41.52 C ATOM 945 C LEU A 62 -8.330 9.426 2.004 1.00 34.20 C ATOM 946 O LEU A 62 -9.000 10.280 2.585 1.00 72.11 O ATOM 947 CB LEU A 62 -6.743 10.066 0.180 1.00 40.00 C ATOM 948 CG LEU A 62 -7.059 11.522 -0.165 1.00 64.10 C ATOM 949 CD1 LEU A 62 -6.139 12.463 0.598 1.00 70.32 C ATOM 950 CD2 LEU A 62 -6.937 11.753 -1.664 1.00 43.22 C ATOM 0 H LEU A 62 -5.708 8.021 1.118 1.00 74.03 H new ATOM 0 HA LEU A 62 -6.507 10.507 2.271 1.00 41.52 H new ATOM 0 HB2 LEU A 62 -5.726 9.849 -0.146 1.00 40.00 H new ATOM 0 HB3 LEU A 62 -7.407 9.424 -0.399 1.00 40.00 H new ATOM 0 HG LEU A 62 -8.087 11.731 0.132 1.00 64.10 H new ATOM 0 HD11 LEU A 62 -6.378 13.495 0.340 1.00 70.32 H new ATOM 0 HD12 LEU A 62 -6.276 12.316 1.669 1.00 70.32 H new ATOM 0 HD13 LEU A 62 -5.103 12.254 0.332 1.00 70.32 H new ATOM 0 HD21 LEU A 62 -7.165 12.794 -1.891 1.00 43.22 H new ATOM 0 HD22 LEU A 62 -5.921 11.526 -1.986 1.00 43.22 H new ATOM 0 HD23 LEU A 62 -7.638 11.105 -2.190 1.00 43.22 H new ATOM 962 N ARG A 63 -8.819 8.242 1.647 1.00 3.41 N ATOM 963 CA ARG A 63 -10.201 7.872 1.923 1.00 75.22 C ATOM 964 C ARG A 63 -10.468 7.843 3.425 1.00 4.50 C ATOM 965 O ARG A 63 -11.524 8.277 3.888 1.00 61.44 O ATOM 966 CB ARG A 63 -10.517 6.505 1.312 1.00 21.03 C ATOM 967 CG ARG A 63 -10.513 6.501 -0.208 1.00 5.14 C ATOM 968 CD ARG A 63 -9.987 5.186 -0.760 1.00 25.52 C ATOM 969 NE ARG A 63 -10.722 4.038 -0.235 1.00 55.41 N ATOM 970 CZ ARG A 63 -10.731 2.843 -0.815 1.00 13.21 C ATOM 971 NH1 ARG A 63 -10.047 2.640 -1.932 1.00 71.41 N ATOM 972 NH2 ARG A 63 -11.425 1.849 -0.277 1.00 33.53 N ATOM 0 H ARG A 63 -8.278 7.523 1.166 1.00 3.41 H new ATOM 0 HA ARG A 63 -10.848 8.624 1.471 1.00 75.22 H new ATOM 0 HB2 ARG A 63 -9.787 5.779 1.671 1.00 21.03 H new ATOM 0 HB3 ARG A 63 -11.494 6.176 1.665 1.00 21.03 H new ATOM 0 HG2 ARG A 63 -11.525 6.673 -0.576 1.00 5.14 H new ATOM 0 HG3 ARG A 63 -9.897 7.323 -0.573 1.00 5.14 H new ATOM 0 HD2 ARG A 63 -10.058 5.195 -1.848 1.00 25.52 H new ATOM 0 HD3 ARG A 63 -8.931 5.085 -0.511 1.00 25.52 H new ATOM 0 HE ARG A 63 -11.258 4.161 0.624 1.00 55.41 H new ATOM 0 HH11 ARG A 63 -9.512 3.402 -2.348 1.00 71.41 H new ATOM 0 HH12 ARG A 63 -10.055 1.721 -2.375 1.00 71.41 H new ATOM 0 HH21 ARG A 63 -11.952 2.002 0.583 1.00 33.53 H new ATOM 0 HH22 ARG A 63 -11.431 0.932 -0.723 1.00 33.53 H new ATOM 986 N LEU A 64 -9.504 7.331 4.182 1.00 64.33 N ATOM 987 CA LEU A 64 -9.633 7.245 5.632 1.00 13.22 C ATOM 988 C LEU A 64 -9.735 8.635 6.253 1.00 70.23 C ATOM 989 O LEU A 64 -10.445 8.836 7.239 1.00 23.43 O ATOM 990 CB LEU A 64 -8.441 6.494 6.227 1.00 3.52 C ATOM 991 CG LEU A 64 -8.488 4.970 6.123 1.00 21.44 C ATOM 992 CD1 LEU A 64 -7.149 4.366 6.519 1.00 12.01 C ATOM 993 CD2 LEU A 64 -9.605 4.410 6.992 1.00 1.22 C ATOM 0 H LEU A 64 -8.624 6.969 3.815 1.00 64.33 H new ATOM 0 HA LEU A 64 -10.548 6.698 5.859 1.00 13.22 H new ATOM 0 HB2 LEU A 64 -7.534 6.844 5.734 1.00 3.52 H new ATOM 0 HB3 LEU A 64 -8.356 6.764 7.280 1.00 3.52 H new ATOM 0 HG LEU A 64 -8.692 4.702 5.086 1.00 21.44 H new ATOM 0 HD11 LEU A 64 -7.202 3.280 6.439 1.00 12.01 H new ATOM 0 HD12 LEU A 64 -6.370 4.742 5.856 1.00 12.01 H new ATOM 0 HD13 LEU A 64 -6.915 4.643 7.547 1.00 12.01 H new ATOM 0 HD21 LEU A 64 -9.623 3.324 6.905 1.00 1.22 H new ATOM 0 HD22 LEU A 64 -9.432 4.688 8.032 1.00 1.22 H new ATOM 0 HD23 LEU A 64 -10.561 4.817 6.662 1.00 1.22 H new ATOM 1005 N LEU A 65 -9.023 9.592 5.668 1.00 73.34 N ATOM 1006 CA LEU A 65 -9.035 10.964 6.161 1.00 2.44 C ATOM 1007 C LEU A 65 -10.450 11.534 6.153 1.00 44.31 C ATOM 1008 O LEU A 65 -11.059 11.730 7.205 1.00 4.42 O ATOM 1009 CB LEU A 65 -8.114 11.841 5.310 1.00 14.14 C ATOM 1010 CG LEU A 65 -6.718 12.097 5.878 1.00 10.52 C ATOM 1011 CD1 LEU A 65 -5.761 12.516 4.773 1.00 61.11 C ATOM 1012 CD2 LEU A 65 -6.772 13.157 6.969 1.00 51.31 C ATOM 0 H LEU A 65 -8.430 9.443 4.852 1.00 73.34 H new ATOM 0 HA LEU A 65 -8.672 10.957 7.189 1.00 2.44 H new ATOM 0 HB2 LEU A 65 -8.006 11.376 4.330 1.00 14.14 H new ATOM 0 HB3 LEU A 65 -8.603 12.803 5.154 1.00 14.14 H new ATOM 0 HG LEU A 65 -6.350 11.170 6.318 1.00 10.52 H new ATOM 0 HD11 LEU A 65 -4.772 12.694 5.196 1.00 61.11 H new ATOM 0 HD12 LEU A 65 -5.699 11.725 4.026 1.00 61.11 H new ATOM 0 HD13 LEU A 65 -6.125 13.430 4.304 1.00 61.11 H new ATOM 0 HD21 LEU A 65 -5.769 13.326 7.362 1.00 51.31 H new ATOM 0 HD22 LEU A 65 -7.161 14.087 6.554 1.00 51.31 H new ATOM 0 HD23 LEU A 65 -7.424 12.818 7.774 1.00 51.31 H new ATOM 1024 N THR A 66 -10.969 11.797 4.958 1.00 73.03 N ATOM 1025 CA THR A 66 -12.313 12.343 4.812 1.00 45.15 C ATOM 1026 C THR A 66 -13.359 11.385 5.368 1.00 32.21 C ATOM 1027 O THR A 66 -14.436 11.803 5.791 1.00 1.51 O ATOM 1028 CB THR A 66 -12.640 12.642 3.336 1.00 1.44 C ATOM 1029 OG1 THR A 66 -13.894 13.327 3.242 1.00 2.31 O ATOM 1030 CG2 THR A 66 -12.695 11.358 2.523 1.00 13.10 C ATOM 0 H THR A 66 -10.479 11.641 4.077 1.00 73.03 H new ATOM 0 HA THR A 66 -12.339 13.274 5.379 1.00 45.15 H new ATOM 0 HB THR A 66 -11.850 13.275 2.932 1.00 1.44 H new ATOM 0 HG1 THR A 66 -14.094 13.515 2.301 1.00 2.31 H new ATOM 0 HG21 THR A 66 -12.927 11.594 1.485 1.00 13.10 H new ATOM 0 HG22 THR A 66 -11.730 10.854 2.573 1.00 13.10 H new ATOM 0 HG23 THR A 66 -13.467 10.704 2.928 1.00 13.10 H new ATOM 1038 N GLY A 67 -13.035 10.095 5.366 1.00 53.14 N ATOM 1039 CA GLY A 67 -13.959 9.097 5.874 1.00 44.45 C ATOM 1040 C GLY A 67 -14.837 8.513 4.785 1.00 14.33 C ATOM 1041 O GLY A 67 -15.905 7.968 5.066 1.00 23.41 O ATOM 0 H GLY A 67 -12.150 9.723 5.022 1.00 53.14 H new ATOM 0 HA2 GLY A 67 -13.396 8.295 6.352 1.00 44.45 H new ATOM 0 HA3 GLY A 67 -14.588 9.546 6.642 1.00 44.45 H new ATOM 1045 N ASP A 68 -14.390 8.629 3.540 1.00 42.00 N ATOM 1046 CA ASP A 68 -15.143 8.109 2.405 1.00 33.41 C ATOM 1047 C ASP A 68 -14.280 7.176 1.561 1.00 30.03 C ATOM 1048 O ASP A 68 -13.231 7.574 1.054 1.00 14.01 O ATOM 1049 CB ASP A 68 -15.667 9.258 1.543 1.00 11.20 C ATOM 1050 CG ASP A 68 -17.085 9.022 1.062 1.00 33.23 C ATOM 1051 OD1 ASP A 68 -17.545 7.862 1.120 1.00 52.44 O ATOM 1052 OD2 ASP A 68 -17.735 9.996 0.628 1.00 52.01 O ATOM 0 H ASP A 68 -13.509 9.079 3.291 1.00 42.00 H new ATOM 0 HA ASP A 68 -15.989 7.541 2.792 1.00 33.41 H new ATOM 0 HB2 ASP A 68 -15.631 10.184 2.116 1.00 11.20 H new ATOM 0 HB3 ASP A 68 -15.012 9.390 0.682 1.00 11.20 H new ATOM 1057 N SER A 69 -14.728 5.933 1.416 1.00 22.13 N ATOM 1058 CA SER A 69 -13.994 4.942 0.638 1.00 22.11 C ATOM 1059 C SER A 69 -14.252 5.124 -0.855 1.00 23.45 C ATOM 1060 O SER A 69 -13.690 4.409 -1.686 1.00 35.02 O ATOM 1061 CB SER A 69 -14.392 3.528 1.068 1.00 43.53 C ATOM 1062 OG SER A 69 -13.610 3.090 2.165 1.00 65.31 O ATOM 0 H SER A 69 -15.596 5.588 1.827 1.00 22.13 H new ATOM 0 HA SER A 69 -12.930 5.085 0.825 1.00 22.11 H new ATOM 0 HB2 SER A 69 -15.447 3.511 1.340 1.00 43.53 H new ATOM 0 HB3 SER A 69 -14.267 2.841 0.231 1.00 43.53 H new ATOM 0 HG SER A 69 -13.885 2.185 2.422 1.00 65.31 H new ATOM 1068 N THR A 70 -15.106 6.086 -1.188 1.00 50.13 N ATOM 1069 CA THR A 70 -15.441 6.362 -2.580 1.00 4.44 C ATOM 1070 C THR A 70 -14.463 7.359 -3.193 1.00 33.24 C ATOM 1071 O THR A 70 -14.298 7.412 -4.412 1.00 70.01 O ATOM 1072 CB THR A 70 -16.872 6.916 -2.714 1.00 61.40 C ATOM 1073 OG1 THR A 70 -16.960 8.203 -2.094 1.00 2.14 O ATOM 1074 CG2 THR A 70 -17.879 5.970 -2.077 1.00 54.31 C ATOM 0 H THR A 70 -15.579 6.687 -0.513 1.00 50.13 H new ATOM 0 HA THR A 70 -15.374 5.415 -3.115 1.00 4.44 H new ATOM 0 HB THR A 70 -17.104 7.009 -3.775 1.00 61.40 H new ATOM 0 HG1 THR A 70 -16.222 8.767 -2.406 1.00 2.14 H new ATOM 0 HG21 THR A 70 -18.883 6.382 -2.184 1.00 54.31 H new ATOM 0 HG22 THR A 70 -17.830 5.000 -2.572 1.00 54.31 H new ATOM 0 HG23 THR A 70 -17.647 5.850 -1.019 1.00 54.31 H new ATOM 1082 N LEU A 71 -13.817 8.147 -2.341 1.00 22.24 N ATOM 1083 CA LEU A 71 -12.854 9.142 -2.799 1.00 1.21 C ATOM 1084 C LEU A 71 -11.806 8.508 -3.708 1.00 51.01 C ATOM 1085 O LEU A 71 -11.098 7.585 -3.305 1.00 55.44 O ATOM 1086 CB LEU A 71 -12.172 9.809 -1.603 1.00 63.01 C ATOM 1087 CG LEU A 71 -10.966 10.693 -1.925 1.00 70.41 C ATOM 1088 CD1 LEU A 71 -10.972 11.941 -1.056 1.00 25.51 C ATOM 1089 CD2 LEU A 71 -9.671 9.916 -1.738 1.00 43.13 C ATOM 0 H LEU A 71 -13.943 8.116 -1.329 1.00 22.24 H new ATOM 0 HA LEU A 71 -13.394 9.898 -3.370 1.00 1.21 H new ATOM 0 HB2 LEU A 71 -12.912 10.415 -1.080 1.00 63.01 H new ATOM 0 HB3 LEU A 71 -11.852 9.030 -0.912 1.00 63.01 H new ATOM 0 HG LEU A 71 -11.034 11.002 -2.968 1.00 70.41 H new ATOM 0 HD11 LEU A 71 -10.107 12.558 -1.299 1.00 25.51 H new ATOM 0 HD12 LEU A 71 -11.885 12.508 -1.240 1.00 25.51 H new ATOM 0 HD13 LEU A 71 -10.929 11.653 -0.006 1.00 25.51 H new ATOM 0 HD21 LEU A 71 -8.823 10.560 -1.971 1.00 43.13 H new ATOM 0 HD22 LEU A 71 -9.596 9.577 -0.705 1.00 43.13 H new ATOM 0 HD23 LEU A 71 -9.665 9.053 -2.404 1.00 43.13 H new ATOM 1101 N GLU A 72 -11.712 9.011 -4.935 1.00 0.10 N ATOM 1102 CA GLU A 72 -10.749 8.494 -5.900 1.00 71.12 C ATOM 1103 C GLU A 72 -10.050 9.634 -6.636 1.00 75.30 C ATOM 1104 O GLU A 72 -10.613 10.717 -6.801 1.00 22.40 O ATOM 1105 CB GLU A 72 -11.445 7.574 -6.906 1.00 11.05 C ATOM 1106 CG GLU A 72 -12.267 6.473 -6.256 1.00 10.51 C ATOM 1107 CD GLU A 72 -12.010 5.112 -6.872 1.00 41.14 C ATOM 1108 OE1 GLU A 72 -11.767 5.052 -8.096 1.00 4.11 O ATOM 1109 OE2 GLU A 72 -12.052 4.107 -6.132 1.00 52.52 O ATOM 0 H GLU A 72 -12.290 9.775 -5.284 1.00 0.10 H new ATOM 0 HA GLU A 72 -9.998 7.922 -5.354 1.00 71.12 H new ATOM 0 HB2 GLU A 72 -12.095 8.173 -7.544 1.00 11.05 H new ATOM 0 HB3 GLU A 72 -10.693 7.121 -7.552 1.00 11.05 H new ATOM 0 HG2 GLU A 72 -12.038 6.435 -5.191 1.00 10.51 H new ATOM 0 HG3 GLU A 72 -13.326 6.714 -6.346 1.00 10.51 H new ATOM 1116 N ILE A 73 -8.822 9.381 -7.075 1.00 10.40 N ATOM 1117 CA ILE A 73 -8.047 10.385 -7.793 1.00 42.42 C ATOM 1118 C ILE A 73 -7.875 10.002 -9.259 1.00 62.11 C ATOM 1119 O ILE A 73 -7.516 8.868 -9.576 1.00 3.24 O ATOM 1120 CB ILE A 73 -6.657 10.583 -7.159 1.00 52.15 C ATOM 1121 CG1 ILE A 73 -6.796 11.006 -5.695 1.00 63.35 C ATOM 1122 CG2 ILE A 73 -5.861 11.617 -7.942 1.00 24.33 C ATOM 1123 CD1 ILE A 73 -5.469 11.209 -4.997 1.00 74.30 C ATOM 0 H ILE A 73 -8.343 8.490 -6.946 1.00 10.40 H new ATOM 0 HA ILE A 73 -8.604 11.320 -7.727 1.00 42.42 H new ATOM 0 HB ILE A 73 -6.119 9.636 -7.194 1.00 52.15 H new ATOM 0 HG12 ILE A 73 -7.369 11.932 -5.645 1.00 63.35 H new ATOM 0 HG13 ILE A 73 -7.367 10.248 -5.159 1.00 63.35 H new ATOM 0 HG21 ILE A 73 -4.881 11.746 -7.482 1.00 24.33 H new ATOM 0 HG22 ILE A 73 -5.737 11.278 -8.971 1.00 24.33 H new ATOM 0 HG23 ILE A 73 -6.394 12.568 -7.935 1.00 24.33 H new ATOM 0 HD11 ILE A 73 -5.644 11.508 -3.963 1.00 74.30 H new ATOM 0 HD12 ILE A 73 -4.902 10.278 -5.015 1.00 74.30 H new ATOM 0 HD13 ILE A 73 -4.904 11.988 -5.509 1.00 74.30 H new ATOM 1135 N GLN A 74 -8.132 10.955 -10.149 1.00 1.54 N ATOM 1136 CA GLN A 74 -8.004 10.717 -11.581 1.00 51.44 C ATOM 1137 C GLN A 74 -7.163 11.805 -12.241 1.00 41.11 C ATOM 1138 O GLN A 74 -7.082 12.937 -11.763 1.00 71.13 O ATOM 1139 CB GLN A 74 -9.386 10.658 -12.235 1.00 62.11 C ATOM 1140 CG GLN A 74 -10.394 9.833 -11.452 1.00 72.31 C ATOM 1141 CD GLN A 74 -11.428 9.175 -12.344 1.00 73.33 C ATOM 1142 OE1 GLN A 74 -12.549 9.666 -12.482 1.00 61.12 O ATOM 1143 NE2 GLN A 74 -11.057 8.056 -12.957 1.00 3.45 N ATOM 0 H GLN A 74 -8.430 11.899 -9.903 1.00 1.54 H new ATOM 0 HA GLN A 74 -7.502 9.760 -11.721 1.00 51.44 H new ATOM 0 HB2 GLN A 74 -9.769 11.672 -12.348 1.00 62.11 H new ATOM 0 HB3 GLN A 74 -9.287 10.241 -13.237 1.00 62.11 H new ATOM 0 HG2 GLN A 74 -9.867 9.065 -10.885 1.00 72.31 H new ATOM 0 HG3 GLN A 74 -10.899 10.474 -10.729 1.00 72.31 H new ATOM 0 HE21 GLN A 74 -10.118 7.684 -12.815 1.00 3.45 H new ATOM 0 HE22 GLN A 74 -11.711 7.569 -13.570 1.00 3.45 H new ATOM 1152 N PRO A 75 -6.520 11.456 -13.366 1.00 13.43 N ATOM 1153 CA PRO A 75 -5.674 12.389 -14.115 1.00 44.22 C ATOM 1154 C PRO A 75 -6.483 13.484 -14.801 1.00 54.20 C ATOM 1155 O PRO A 75 -7.040 13.275 -15.878 1.00 60.14 O ATOM 1156 CB PRO A 75 -4.995 11.495 -15.156 1.00 31.33 C ATOM 1157 CG PRO A 75 -5.927 10.346 -15.333 1.00 22.12 C ATOM 1158 CD PRO A 75 -6.571 10.125 -13.992 1.00 73.14 C ATOM 0 HA PRO A 75 -4.976 12.917 -13.465 1.00 44.22 H new ATOM 0 HB2 PRO A 75 -4.840 12.027 -16.094 1.00 31.33 H new ATOM 0 HB3 PRO A 75 -4.016 11.161 -14.813 1.00 31.33 H new ATOM 0 HG2 PRO A 75 -6.676 10.565 -16.094 1.00 22.12 H new ATOM 0 HG3 PRO A 75 -5.391 9.455 -15.660 1.00 22.12 H new ATOM 0 HD2 PRO A 75 -7.596 9.767 -14.092 1.00 73.14 H new ATOM 0 HD3 PRO A 75 -6.030 9.383 -13.404 1.00 73.14 H new ATOM 1166 N MET A 76 -6.544 14.652 -14.170 1.00 13.23 N ATOM 1167 CA MET A 76 -7.285 15.781 -14.721 1.00 73.32 C ATOM 1168 C MET A 76 -6.644 16.272 -16.015 1.00 2.21 C ATOM 1169 O MET A 76 -5.443 16.540 -16.060 1.00 2.41 O ATOM 1170 CB MET A 76 -7.349 16.922 -13.704 1.00 74.03 C ATOM 1171 CG MET A 76 -8.417 17.957 -14.019 1.00 52.12 C ATOM 1172 SD MET A 76 -7.836 19.232 -15.154 1.00 24.12 S ATOM 1173 CE MET A 76 -7.725 20.640 -14.053 1.00 4.24 C ATOM 0 H MET A 76 -6.089 14.842 -13.277 1.00 13.23 H new ATOM 0 HA MET A 76 -8.298 15.445 -14.943 1.00 73.32 H new ATOM 0 HB2 MET A 76 -7.538 16.506 -12.715 1.00 74.03 H new ATOM 0 HB3 MET A 76 -6.378 17.415 -13.662 1.00 74.03 H new ATOM 0 HG2 MET A 76 -9.284 17.458 -14.452 1.00 52.12 H new ATOM 0 HG3 MET A 76 -8.748 18.425 -13.092 1.00 52.12 H new ATOM 0 HE1 MET A 76 -7.037 21.375 -14.471 1.00 4.24 H new ATOM 0 HE2 MET A 76 -8.711 21.090 -13.938 1.00 4.24 H new ATOM 0 HE3 MET A 76 -7.360 20.313 -13.080 1.00 4.24 H new ATOM 1183 N ILE A 77 -7.451 16.388 -17.064 1.00 32.42 N ATOM 1184 CA ILE A 77 -6.961 16.848 -18.357 1.00 75.43 C ATOM 1185 C ILE A 77 -7.608 18.172 -18.751 1.00 22.53 C ATOM 1186 O ILE A 77 -8.814 18.357 -18.591 1.00 52.51 O ATOM 1187 CB ILE A 77 -7.230 15.809 -19.463 1.00 14.43 C ATOM 1188 CG1 ILE A 77 -6.592 14.468 -19.099 1.00 22.54 C ATOM 1189 CG2 ILE A 77 -6.701 16.309 -20.799 1.00 11.04 C ATOM 1190 CD1 ILE A 77 -5.096 14.548 -18.887 1.00 71.33 C ATOM 0 H ILE A 77 -8.447 16.170 -17.044 1.00 32.42 H new ATOM 0 HA ILE A 77 -5.885 16.988 -18.255 1.00 75.43 H new ATOM 0 HB ILE A 77 -8.307 15.665 -19.552 1.00 14.43 H new ATOM 0 HG12 ILE A 77 -7.060 14.087 -18.191 1.00 22.54 H new ATOM 0 HG13 ILE A 77 -6.801 13.749 -19.891 1.00 22.54 H new ATOM 0 HG21 ILE A 77 -6.898 15.564 -21.570 1.00 11.04 H new ATOM 0 HG22 ILE A 77 -7.198 17.243 -21.061 1.00 11.04 H new ATOM 0 HG23 ILE A 77 -5.627 16.478 -20.725 1.00 11.04 H new ATOM 0 HD11 ILE A 77 -4.711 13.561 -18.632 1.00 71.33 H new ATOM 0 HD12 ILE A 77 -4.617 14.899 -19.801 1.00 71.33 H new ATOM 0 HD13 ILE A 77 -4.880 15.242 -18.075 1.00 71.33 H new ATOM 1202 N VAL A 78 -6.797 19.089 -19.268 1.00 2.13 N ATOM 1203 CA VAL A 78 -7.290 20.396 -19.687 1.00 65.44 C ATOM 1204 C VAL A 78 -7.758 20.366 -21.138 1.00 4.40 C ATOM 1205 O VAL A 78 -7.078 19.849 -22.025 1.00 54.22 O ATOM 1206 CB VAL A 78 -6.208 21.481 -19.530 1.00 64.53 C ATOM 1207 CG1 VAL A 78 -6.747 22.838 -19.955 1.00 2.04 C ATOM 1208 CG2 VAL A 78 -5.701 21.523 -18.097 1.00 2.34 C ATOM 0 H VAL A 78 -5.796 18.951 -19.407 1.00 2.13 H new ATOM 0 HA VAL A 78 -8.133 20.639 -19.041 1.00 65.44 H new ATOM 0 HB VAL A 78 -5.370 21.231 -20.180 1.00 64.53 H new ATOM 0 HG11 VAL A 78 -5.969 23.592 -19.837 1.00 2.04 H new ATOM 0 HG12 VAL A 78 -7.056 22.796 -20.999 1.00 2.04 H new ATOM 0 HG13 VAL A 78 -7.603 23.100 -19.333 1.00 2.04 H new ATOM 0 HG21 VAL A 78 -4.937 22.295 -18.004 1.00 2.34 H new ATOM 0 HG22 VAL A 78 -6.529 21.748 -17.425 1.00 2.34 H new ATOM 0 HG23 VAL A 78 -5.273 20.556 -17.834 1.00 2.34 H new ATOM 1218 N PRO A 79 -8.946 20.935 -21.388 1.00 14.13 N ATOM 1219 CA PRO A 79 -9.532 20.988 -22.730 1.00 51.24 C ATOM 1220 C PRO A 79 -8.775 21.934 -23.656 1.00 50.31 C ATOM 1221 O PRO A 79 -8.851 23.155 -23.511 1.00 63.01 O ATOM 1222 CB PRO A 79 -10.950 21.507 -22.479 1.00 0.33 C ATOM 1223 CG PRO A 79 -10.853 22.272 -21.204 1.00 45.52 C ATOM 1224 CD PRO A 79 -9.810 21.571 -20.378 1.00 71.54 C ATOM 0 HA PRO A 79 -9.500 20.018 -23.226 1.00 51.24 H new ATOM 0 HB2 PRO A 79 -11.290 22.142 -23.297 1.00 0.33 H new ATOM 0 HB3 PRO A 79 -11.663 20.687 -22.395 1.00 0.33 H new ATOM 0 HG2 PRO A 79 -10.571 23.308 -21.391 1.00 45.52 H new ATOM 0 HG3 PRO A 79 -11.812 22.291 -20.687 1.00 45.52 H new ATOM 0 HD2 PRO A 79 -9.253 22.271 -19.756 1.00 71.54 H new ATOM 0 HD3 PRO A 79 -10.255 20.835 -19.709 1.00 71.54 H new ATOM 1232 N THR A 80 -8.044 21.364 -24.609 1.00 75.12 N ATOM 1233 CA THR A 80 -7.273 22.156 -25.558 1.00 40.33 C ATOM 1234 C THR A 80 -8.177 23.078 -26.368 1.00 55.21 C ATOM 1235 O THR A 80 -9.393 22.888 -26.415 1.00 54.43 O ATOM 1236 CB THR A 80 -6.478 21.258 -26.524 1.00 45.23 C ATOM 1237 OG1 THR A 80 -5.694 22.065 -27.410 1.00 42.14 O ATOM 1238 CG2 THR A 80 -7.412 20.371 -27.332 1.00 35.42 C ATOM 0 H THR A 80 -7.970 20.356 -24.744 1.00 75.12 H new ATOM 0 HA THR A 80 -6.575 22.757 -24.974 1.00 40.33 H new ATOM 0 HB THR A 80 -5.819 20.622 -25.933 1.00 45.23 H new ATOM 0 HG1 THR A 80 -5.190 21.487 -28.020 1.00 42.14 H new ATOM 0 HG21 THR A 80 -6.827 19.746 -28.007 1.00 35.42 H new ATOM 0 HG22 THR A 80 -7.986 19.737 -26.657 1.00 35.42 H new ATOM 0 HG23 THR A 80 -8.093 20.993 -27.913 1.00 35.42 H new ATOM 1246 N THR A 81 -7.577 24.078 -27.006 1.00 0.20 N ATOM 1247 CA THR A 81 -8.329 25.030 -27.814 1.00 5.31 C ATOM 1248 C THR A 81 -7.926 24.944 -29.282 1.00 3.44 C ATOM 1249 O THR A 81 -7.174 25.783 -29.778 1.00 31.11 O ATOM 1250 CB THR A 81 -8.120 26.474 -27.320 1.00 11.23 C ATOM 1251 OG1 THR A 81 -6.721 26.758 -27.212 1.00 63.00 O ATOM 1252 CG2 THR A 81 -8.791 26.687 -25.971 1.00 70.31 C ATOM 0 H THR A 81 -6.572 24.250 -26.979 1.00 0.20 H new ATOM 0 HA THR A 81 -9.382 24.768 -27.713 1.00 5.31 H new ATOM 0 HB THR A 81 -8.573 27.151 -28.045 1.00 11.23 H new ATOM 0 HG1 THR A 81 -6.285 26.585 -28.072 1.00 63.00 H new ATOM 0 HG21 THR A 81 -8.630 27.714 -25.643 1.00 70.31 H new ATOM 0 HG22 THR A 81 -9.861 26.499 -26.063 1.00 70.31 H new ATOM 0 HG23 THR A 81 -8.364 26.001 -25.240 1.00 70.31 H new ATOM 1260 N GLU A 82 -8.431 23.926 -29.971 1.00 10.12 N ATOM 1261 CA GLU A 82 -8.122 23.732 -31.383 1.00 15.14 C ATOM 1262 C GLU A 82 -8.511 24.962 -32.198 1.00 73.35 C ATOM 1263 O GLU A 82 -9.388 25.729 -31.803 1.00 1.22 O ATOM 1264 CB GLU A 82 -8.849 22.498 -31.922 1.00 13.25 C ATOM 1265 CG GLU A 82 -8.187 21.888 -33.146 1.00 13.05 C ATOM 1266 CD GLU A 82 -8.161 22.837 -34.328 1.00 61.43 C ATOM 1267 OE1 GLU A 82 -9.244 23.302 -34.741 1.00 22.22 O ATOM 1268 OE2 GLU A 82 -7.056 23.114 -34.841 1.00 74.32 O ATOM 0 H GLU A 82 -9.055 23.223 -29.575 1.00 10.12 H new ATOM 0 HA GLU A 82 -7.047 23.580 -31.476 1.00 15.14 H new ATOM 0 HB2 GLU A 82 -8.902 21.746 -31.135 1.00 13.25 H new ATOM 0 HB3 GLU A 82 -9.874 22.771 -32.172 1.00 13.25 H new ATOM 0 HG2 GLU A 82 -7.167 21.597 -32.896 1.00 13.05 H new ATOM 0 HG3 GLU A 82 -8.718 20.978 -33.427 1.00 13.05 H new TER 1275 GLU A 82