USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 657 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 33 GLN : amide:sc= 0.676 K(o=2.5,f=-5.7!) USER MOD Set 1.2: A 46 LYS NZ :NH3+ 175:sc= 1.8 (180deg=0.887) USER MOD Set 2.1: A 23 ASN : amide:sc= 1.01 K(o=2.3,f=-1.1!) USER MOD Set 2.2: A 26 THR OG1 : rot 144:sc= 1.28 USER MOD Single : A 1 GLY N :NH3+ -179:sc= 1.16 (180deg=1.07) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 88:sc= 0.96 USER MOD Single : A 9 LYS NZ :NH3+ 169:sc= 1.28 (180deg=1.21) USER MOD Single : A 12 GLN : amide:sc= 1.21 K(o=1.2,f=-6.6!) USER MOD Single : A 13 LYS NZ :NH3+ 168:sc= 1.18 (180deg=0.348) USER MOD Single : A 17 MET CE :methyl -159:sc= -0.467 (180deg=-1.85!) USER MOD Single : A 21 GLN : amide:sc= -0.0637 X(o=-0.064,f=0) USER MOD Single : A 28 THR OG1 : rot 81:sc= 1.25 USER MOD Single : A 29 GLN : amide:sc= 1.17 K(o=1.2,f=-0.014) USER MOD Single : A 32 SER OG : rot -83:sc= 0.796 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 1.43 (180deg=1.43) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 169:sc= -1.5 (180deg=-1.78) USER MOD Single : A 51 SER OG : rot -105:sc= 0.559 USER MOD Single : A 57 SER OG : rot -135:sc= 1.26 USER MOD Single : A 62 THR OG1 : rot -69:sc= 1.14 USER MOD Single : A 64 LYS NZ :NH3+ -164:sc= 0.545 (180deg=-0.0523) USER MOD Single : A 65 LYS NZ :NH3+ -136:sc= 1.17 (180deg=-0.679) USER MOD Single : A 67 GLN : amide:sc= -1.04 K(o=-1,f=-2.5!) USER MOD Single : A 74 LYS NZ :NH3+ -139:sc= 1.02! (180deg=-0.102!) USER MOD Single : A 77 LYS NZ :NH3+ -173:sc= 0.971 (180deg=0.454) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.773 0.032 4.020 1.00 0.00 N ATOM 2 CA GLY A 1 -16.242 -1.308 4.369 1.00 0.00 C ATOM 3 C GLY A 1 -15.128 -1.209 5.411 1.00 0.00 C ATOM 4 O GLY A 1 -14.366 -0.248 5.371 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.539 -0.069 3.324 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.142 0.493 4.876 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.011 0.613 3.615 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.048 -1.932 4.754 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.861 -1.796 3.472 1.00 0.00 H new ATOM 10 N TYR A 2 -14.968 -2.217 6.291 1.00 0.00 N ATOM 11 CA TYR A 2 -13.805 -2.367 7.197 1.00 0.00 C ATOM 12 C TYR A 2 -12.481 -2.234 6.440 1.00 0.00 C ATOM 13 O TYR A 2 -11.515 -1.642 6.929 1.00 0.00 O ATOM 14 CB TYR A 2 -13.869 -3.735 7.907 1.00 0.00 C ATOM 15 CG TYR A 2 -12.607 -4.137 8.664 1.00 0.00 C ATOM 16 CD1 TYR A 2 -12.338 -3.618 9.946 1.00 0.00 C ATOM 17 CD2 TYR A 2 -11.694 -5.043 8.082 1.00 0.00 C ATOM 18 CE1 TYR A 2 -11.175 -4.002 10.643 1.00 0.00 C ATOM 19 CE2 TYR A 2 -10.529 -5.428 8.772 1.00 0.00 C ATOM 20 CZ TYR A 2 -10.261 -4.914 10.061 1.00 0.00 C ATOM 21 OH TYR A 2 -9.137 -5.301 10.726 1.00 0.00 O ATOM 0 H TYR A 2 -15.654 -2.965 6.396 1.00 0.00 H new ATOM 0 HA TYR A 2 -13.849 -1.567 7.936 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -14.704 -3.724 8.607 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -14.086 -4.502 7.163 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -13.028 -2.921 10.398 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -11.891 -5.444 7.099 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -10.980 -3.599 11.626 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -9.837 -6.119 8.314 1.00 0.00 H new ATOM 0 HH TYR A 2 -8.630 -5.931 10.173 1.00 0.00 H new ATOM 31 N PHE A 3 -12.461 -2.762 5.214 1.00 0.00 N ATOM 32 CA PHE A 3 -11.352 -2.623 4.298 1.00 0.00 C ATOM 33 C PHE A 3 -10.880 -1.188 4.134 1.00 0.00 C ATOM 34 O PHE A 3 -9.682 -1.012 4.000 1.00 0.00 O ATOM 35 CB PHE A 3 -11.746 -3.088 2.902 1.00 0.00 C ATOM 36 CG PHE A 3 -11.717 -4.558 2.604 1.00 0.00 C ATOM 37 CD1 PHE A 3 -10.478 -5.136 2.275 1.00 0.00 C ATOM 38 CD2 PHE A 3 -12.908 -5.292 2.465 1.00 0.00 C ATOM 39 CE1 PHE A 3 -10.420 -6.448 1.792 1.00 0.00 C ATOM 40 CE2 PHE A 3 -12.851 -6.607 1.980 1.00 0.00 C ATOM 41 CZ PHE A 3 -11.612 -7.168 1.629 1.00 0.00 C ATOM 0 H PHE A 3 -13.235 -3.306 4.833 1.00 0.00 H new ATOM 0 HA PHE A 3 -10.556 -3.227 4.733 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -12.757 -2.730 2.706 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -11.088 -2.592 2.189 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -9.569 -4.566 2.395 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -13.857 -4.848 2.729 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -9.470 -6.900 1.548 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -13.757 -7.186 1.877 1.00 0.00 H new ATOM 0 HZ PHE A 3 -11.577 -8.170 1.227 1.00 0.00 H new ATOM 51 N CYS A 4 -11.763 -0.188 4.092 1.00 0.00 N ATOM 52 CA CYS A 4 -11.371 1.179 3.795 1.00 0.00 C ATOM 53 C CYS A 4 -10.345 1.743 4.773 1.00 0.00 C ATOM 54 O CYS A 4 -9.272 2.147 4.333 1.00 0.00 O ATOM 55 CB CYS A 4 -12.609 2.068 3.679 1.00 0.00 C ATOM 56 SG CYS A 4 -12.294 3.631 2.840 1.00 0.00 S ATOM 0 H CYS A 4 -12.761 -0.308 4.263 1.00 0.00 H new ATOM 0 HA CYS A 4 -10.861 1.166 2.832 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -13.387 1.526 3.141 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -12.995 2.272 4.678 1.00 0.00 H new ATOM 61 N GLU A 5 -10.640 1.772 6.077 1.00 0.00 N ATOM 62 CA GLU A 5 -9.698 2.313 7.059 1.00 0.00 C ATOM 63 C GLU A 5 -8.441 1.440 7.041 1.00 0.00 C ATOM 64 O GLU A 5 -7.336 1.962 6.937 1.00 0.00 O ATOM 65 CB GLU A 5 -10.319 2.464 8.455 1.00 0.00 C ATOM 66 CG GLU A 5 -9.559 3.485 9.332 1.00 0.00 C ATOM 67 CD GLU A 5 -8.121 3.119 9.728 1.00 0.00 C ATOM 68 OE1 GLU A 5 -7.882 1.957 10.124 1.00 0.00 O ATOM 69 OE2 GLU A 5 -7.245 4.022 9.760 1.00 0.00 O ATOM 0 H GLU A 5 -11.516 1.430 6.473 1.00 0.00 H new ATOM 0 HA GLU A 5 -9.424 3.332 6.784 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -11.358 2.778 8.355 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -10.325 1.495 8.954 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -9.534 4.437 8.802 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -10.133 3.644 10.245 1.00 0.00 H new ATOM 76 N SER A 6 -8.611 0.115 7.099 1.00 0.00 N ATOM 77 CA SER A 6 -7.519 -0.847 7.029 1.00 0.00 C ATOM 78 C SER A 6 -6.581 -0.547 5.848 1.00 0.00 C ATOM 79 O SER A 6 -5.378 -0.408 6.037 1.00 0.00 O ATOM 80 CB SER A 6 -8.102 -2.263 6.927 1.00 0.00 C ATOM 81 OG SER A 6 -9.029 -2.518 7.965 1.00 0.00 O ATOM 0 H SER A 6 -9.528 -0.321 7.197 1.00 0.00 H new ATOM 0 HA SER A 6 -6.920 -0.769 7.936 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.592 -2.387 5.961 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.295 -2.994 6.971 1.00 0.00 H new ATOM 0 HG SER A 6 -9.921 -2.223 7.687 1.00 0.00 H new ATOM 87 N CYS A 7 -7.122 -0.418 4.637 1.00 0.00 N ATOM 88 CA CYS A 7 -6.443 -0.068 3.398 1.00 0.00 C ATOM 89 C CYS A 7 -5.755 1.289 3.529 1.00 0.00 C ATOM 90 O CYS A 7 -4.576 1.399 3.199 1.00 0.00 O ATOM 91 CB CYS A 7 -7.457 -0.092 2.249 1.00 0.00 C ATOM 92 SG CYS A 7 -6.890 0.611 0.686 1.00 0.00 S ATOM 0 H CYS A 7 -8.120 -0.567 4.490 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.662 -0.797 3.182 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -7.755 -1.126 2.074 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -8.350 0.448 2.566 1.00 0.00 H new ATOM 97 N ARG A 8 -6.451 2.310 4.040 1.00 0.00 N ATOM 98 CA ARG A 8 -5.862 3.612 4.325 1.00 0.00 C ATOM 99 C ARG A 8 -4.626 3.435 5.192 1.00 0.00 C ATOM 100 O ARG A 8 -3.583 3.967 4.846 1.00 0.00 O ATOM 101 CB ARG A 8 -6.927 4.567 4.909 1.00 0.00 C ATOM 102 CG ARG A 8 -6.378 5.876 5.507 1.00 0.00 C ATOM 103 CD ARG A 8 -6.231 5.762 7.035 1.00 0.00 C ATOM 104 NE ARG A 8 -5.368 6.819 7.585 1.00 0.00 N ATOM 105 CZ ARG A 8 -5.218 7.116 8.880 1.00 0.00 C ATOM 106 NH1 ARG A 8 -5.874 6.444 9.827 1.00 0.00 N ATOM 107 NH2 ARG A 8 -4.385 8.099 9.206 1.00 0.00 N ATOM 0 H ARG A 8 -7.444 2.251 4.267 1.00 0.00 H new ATOM 0 HA ARG A 8 -5.520 4.090 3.407 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -7.639 4.816 4.122 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.481 4.037 5.684 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -5.411 6.107 5.061 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -7.047 6.701 5.262 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -7.215 5.819 7.499 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -5.816 4.786 7.288 1.00 0.00 H new ATOM 0 HE ARG A 8 -4.835 7.376 6.917 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -6.506 5.686 9.570 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -5.744 6.688 10.809 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -3.881 8.604 8.477 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -4.250 8.349 10.186 1.00 0.00 H new ATOM 121 N LYS A 9 -4.717 2.701 6.296 1.00 0.00 N ATOM 122 CA LYS A 9 -3.626 2.495 7.240 1.00 0.00 C ATOM 123 C LYS A 9 -2.475 1.720 6.593 1.00 0.00 C ATOM 124 O LYS A 9 -1.314 2.040 6.837 1.00 0.00 O ATOM 125 CB LYS A 9 -4.228 1.787 8.460 1.00 0.00 C ATOM 126 CG LYS A 9 -3.283 1.719 9.666 1.00 0.00 C ATOM 127 CD LYS A 9 -4.076 1.361 10.934 1.00 0.00 C ATOM 128 CE LYS A 9 -4.855 2.590 11.431 1.00 0.00 C ATOM 129 NZ LYS A 9 -6.124 2.239 12.099 1.00 0.00 N ATOM 0 H LYS A 9 -5.575 2.220 6.566 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.181 3.439 7.554 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.141 2.304 8.755 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.513 0.774 8.176 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.507 0.974 9.489 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.780 2.677 9.799 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.766 0.544 10.723 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.397 1.012 11.712 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.230 3.153 12.124 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.065 3.246 10.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.511 3.080 12.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.805 1.896 11.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.951 1.494 12.803 1.00 0.00 H new ATOM 143 N ILE A 10 -2.801 0.724 5.770 1.00 0.00 N ATOM 144 CA ILE A 10 -1.872 -0.084 4.991 1.00 0.00 C ATOM 145 C ILE A 10 -1.067 0.825 4.059 1.00 0.00 C ATOM 146 O ILE A 10 0.162 0.789 4.110 1.00 0.00 O ATOM 147 CB ILE A 10 -2.663 -1.216 4.287 1.00 0.00 C ATOM 148 CG1 ILE A 10 -2.983 -2.308 5.325 1.00 0.00 C ATOM 149 CG2 ILE A 10 -1.923 -1.831 3.095 1.00 0.00 C ATOM 150 CD1 ILE A 10 -4.109 -3.265 4.900 1.00 0.00 C ATOM 0 H ILE A 10 -3.772 0.447 5.623 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.133 -0.581 5.619 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.574 -0.775 3.881 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.080 -2.888 5.517 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.261 -1.831 6.265 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.536 -2.616 2.652 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.728 -1.059 2.351 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.978 -2.256 3.433 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.274 -4.004 5.684 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.026 -2.698 4.737 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.827 -3.772 3.977 1.00 0.00 H new ATOM 162 N ILE A 11 -1.736 1.644 3.239 1.00 0.00 N ATOM 163 CA ILE A 11 -1.055 2.616 2.395 1.00 0.00 C ATOM 164 C ILE A 11 -0.268 3.585 3.275 1.00 0.00 C ATOM 165 O ILE A 11 0.892 3.813 2.982 1.00 0.00 O ATOM 166 CB ILE A 11 -2.033 3.350 1.443 1.00 0.00 C ATOM 167 CG1 ILE A 11 -2.682 2.452 0.359 1.00 0.00 C ATOM 168 CG2 ILE A 11 -1.335 4.533 0.745 1.00 0.00 C ATOM 169 CD1 ILE A 11 -1.722 1.580 -0.451 1.00 0.00 C ATOM 0 H ILE A 11 -2.752 1.648 3.146 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.356 2.088 1.746 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.837 3.695 2.093 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.412 1.802 0.843 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.232 3.091 -0.332 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.041 5.033 0.082 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.979 5.240 1.495 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.490 4.165 0.163 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.286 0.996 -1.178 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.006 2.215 -0.973 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.188 0.907 0.220 1.00 0.00 H new ATOM 181 N GLN A 12 -0.841 4.133 4.346 1.00 0.00 N ATOM 182 CA GLN A 12 -0.176 5.160 5.140 1.00 0.00 C ATOM 183 C GLN A 12 1.178 4.705 5.664 1.00 0.00 C ATOM 184 O GLN A 12 2.130 5.459 5.516 1.00 0.00 O ATOM 185 CB GLN A 12 -1.067 5.640 6.288 1.00 0.00 C ATOM 186 CG GLN A 12 -2.249 6.463 5.764 1.00 0.00 C ATOM 187 CD GLN A 12 -2.107 7.953 6.037 1.00 0.00 C ATOM 188 OE1 GLN A 12 -2.833 8.471 6.888 1.00 0.00 O ATOM 189 NE2 GLN A 12 -1.238 8.656 5.327 1.00 0.00 N ATOM 0 H GLN A 12 -1.770 3.880 4.683 1.00 0.00 H new ATOM 0 HA GLN A 12 0.005 6.000 4.470 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.438 4.781 6.848 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.479 6.242 6.981 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.347 6.304 4.690 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.168 6.101 6.225 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.654 8.192 4.631 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.153 9.661 5.476 1.00 0.00 H new ATOM 198 N LYS A 13 1.308 3.511 6.264 1.00 0.00 N ATOM 199 CA LYS A 13 2.636 3.103 6.728 1.00 0.00 C ATOM 200 C LYS A 13 3.589 2.820 5.559 1.00 0.00 C ATOM 201 O LYS A 13 4.797 2.915 5.742 1.00 0.00 O ATOM 202 CB LYS A 13 2.599 2.021 7.824 1.00 0.00 C ATOM 203 CG LYS A 13 3.902 1.925 8.661 1.00 0.00 C ATOM 204 CD LYS A 13 4.476 3.290 9.103 1.00 0.00 C ATOM 205 CE LYS A 13 5.573 3.225 10.176 1.00 0.00 C ATOM 206 NZ LYS A 13 6.256 4.534 10.317 1.00 0.00 N ATOM 0 H LYS A 13 0.553 2.846 6.431 1.00 0.00 H new ATOM 0 HA LYS A 13 3.072 3.958 7.244 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.764 2.225 8.494 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.406 1.054 7.359 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.707 1.322 9.548 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.657 1.398 8.077 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.878 3.797 8.226 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.658 3.904 9.480 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.136 2.934 11.131 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.301 2.458 9.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.845 4.528 11.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.857 4.703 9.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.546 5.290 10.390 1.00 0.00 H new ATOM 220 N LEU A 14 3.085 2.403 4.395 1.00 0.00 N ATOM 221 CA LEU A 14 3.918 2.237 3.205 1.00 0.00 C ATOM 222 C LEU A 14 4.440 3.596 2.751 1.00 0.00 C ATOM 223 O LEU A 14 5.633 3.742 2.537 1.00 0.00 O ATOM 224 CB LEU A 14 3.110 1.554 2.091 1.00 0.00 C ATOM 225 CG LEU A 14 3.798 1.520 0.717 1.00 0.00 C ATOM 226 CD1 LEU A 14 5.157 0.817 0.784 1.00 0.00 C ATOM 227 CD2 LEU A 14 2.840 0.791 -0.232 1.00 0.00 C ATOM 0 H LEU A 14 2.101 2.174 4.253 1.00 0.00 H new ATOM 0 HA LEU A 14 4.772 1.602 3.442 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.891 0.531 2.397 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.154 2.067 1.989 1.00 0.00 H new ATOM 0 HG LEU A 14 4.003 2.531 0.364 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.613 0.812 -0.206 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.807 1.347 1.481 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.019 -0.209 1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.283 0.739 -1.227 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.659 -0.218 0.138 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.896 1.333 -0.283 1.00 0.00 H new ATOM 239 N GLU A 15 3.535 4.554 2.598 1.00 0.00 N ATOM 240 CA GLU A 15 3.731 5.920 2.141 1.00 0.00 C ATOM 241 C GLU A 15 4.751 6.617 3.045 1.00 0.00 C ATOM 242 O GLU A 15 5.722 7.180 2.554 1.00 0.00 O ATOM 243 CB GLU A 15 2.310 6.542 2.153 1.00 0.00 C ATOM 244 CG GLU A 15 2.093 7.961 1.615 1.00 0.00 C ATOM 245 CD GLU A 15 0.654 8.490 1.859 1.00 0.00 C ATOM 246 OE1 GLU A 15 -0.042 8.057 2.815 1.00 0.00 O ATOM 247 OE2 GLU A 15 0.221 9.381 1.084 1.00 0.00 O ATOM 0 H GLU A 15 2.554 4.375 2.811 1.00 0.00 H new ATOM 0 HA GLU A 15 4.153 6.011 1.140 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.659 5.877 1.586 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.958 6.528 3.185 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.807 8.636 2.087 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.302 7.974 0.545 1.00 0.00 H new ATOM 254 N ASP A 16 4.561 6.506 4.358 1.00 0.00 N ATOM 255 CA ASP A 16 5.462 6.968 5.415 1.00 0.00 C ATOM 256 C ASP A 16 6.871 6.414 5.234 1.00 0.00 C ATOM 257 O ASP A 16 7.827 7.185 5.246 1.00 0.00 O ATOM 258 CB ASP A 16 4.826 6.523 6.749 1.00 0.00 C ATOM 259 CG ASP A 16 5.703 6.405 8.002 1.00 0.00 C ATOM 260 OD1 ASP A 16 6.717 5.671 7.980 1.00 0.00 O ATOM 261 OD2 ASP A 16 5.192 6.686 9.112 1.00 0.00 O ATOM 0 H ASP A 16 3.723 6.064 4.737 1.00 0.00 H new ATOM 0 HA ASP A 16 5.578 8.051 5.389 1.00 0.00 H new ATOM 0 HB2 ASP A 16 4.023 7.223 6.977 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.363 5.551 6.582 1.00 0.00 H new ATOM 266 N MET A 17 7.005 5.096 5.058 1.00 0.00 N ATOM 267 CA MET A 17 8.323 4.486 5.010 1.00 0.00 C ATOM 268 C MET A 17 9.013 4.727 3.675 1.00 0.00 C ATOM 269 O MET A 17 10.213 4.990 3.680 1.00 0.00 O ATOM 270 CB MET A 17 8.251 2.978 5.267 1.00 0.00 C ATOM 271 CG MET A 17 7.904 2.634 6.722 1.00 0.00 C ATOM 272 SD MET A 17 7.976 0.862 7.162 1.00 0.00 S ATOM 273 CE MET A 17 7.323 0.106 5.645 1.00 0.00 C ATOM 0 H MET A 17 6.227 4.446 4.949 1.00 0.00 H new ATOM 0 HA MET A 17 8.907 4.960 5.799 1.00 0.00 H new ATOM 0 HB2 MET A 17 7.503 2.538 4.607 1.00 0.00 H new ATOM 0 HB3 MET A 17 9.209 2.525 5.011 1.00 0.00 H new ATOM 0 HG2 MET A 17 8.585 3.179 7.376 1.00 0.00 H new ATOM 0 HG3 MET A 17 6.899 3.000 6.932 1.00 0.00 H new ATOM 0 HE1 MET A 17 6.955 -0.896 5.867 1.00 0.00 H new ATOM 0 HE2 MET A 17 6.506 0.715 5.258 1.00 0.00 H new ATOM 0 HE3 MET A 17 8.115 0.045 4.899 1.00 0.00 H new ATOM 283 N VAL A 18 8.344 4.449 2.547 1.00 0.00 N ATOM 284 CA VAL A 18 8.976 4.643 1.247 1.00 0.00 C ATOM 285 C VAL A 18 9.328 6.129 1.050 1.00 0.00 C ATOM 286 O VAL A 18 10.307 6.448 0.380 1.00 0.00 O ATOM 287 CB VAL A 18 8.150 4.001 0.118 1.00 0.00 C ATOM 288 CG1 VAL A 18 6.978 4.840 -0.389 1.00 0.00 C ATOM 289 CG2 VAL A 18 9.057 3.497 -1.004 1.00 0.00 C ATOM 0 H VAL A 18 7.387 4.097 2.513 1.00 0.00 H new ATOM 0 HA VAL A 18 9.927 4.111 1.209 1.00 0.00 H new ATOM 0 HB VAL A 18 7.658 3.139 0.568 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.461 4.300 -1.182 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.286 5.031 0.431 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.350 5.788 -0.778 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.449 3.048 -1.789 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.624 4.332 -1.417 1.00 0.00 H new ATOM 0 HG23 VAL A 18 9.746 2.751 -0.608 1.00 0.00 H new ATOM 299 N GLY A 19 8.519 7.021 1.637 1.00 0.00 N ATOM 300 CA GLY A 19 8.673 8.458 1.586 1.00 0.00 C ATOM 301 C GLY A 19 8.161 9.034 0.259 1.00 0.00 C ATOM 302 O GLY A 19 7.508 8.338 -0.529 1.00 0.00 O ATOM 0 H GLY A 19 7.706 6.734 2.182 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.130 8.912 2.414 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.724 8.717 1.714 1.00 0.00 H new ATOM 306 N PRO A 20 8.371 10.340 0.019 1.00 0.00 N ATOM 307 CA PRO A 20 7.979 10.987 -1.211 1.00 0.00 C ATOM 308 C PRO A 20 8.912 10.560 -2.342 1.00 0.00 C ATOM 309 O PRO A 20 10.044 10.138 -2.134 1.00 0.00 O ATOM 310 CB PRO A 20 8.087 12.489 -0.931 1.00 0.00 C ATOM 311 CG PRO A 20 9.262 12.559 0.039 1.00 0.00 C ATOM 312 CD PRO A 20 9.110 11.271 0.847 1.00 0.00 C ATOM 0 HA PRO A 20 6.969 10.719 -1.522 1.00 0.00 H new ATOM 0 HB2 PRO A 20 8.277 13.059 -1.841 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.173 12.887 -0.491 1.00 0.00 H new ATOM 0 HG2 PRO A 20 10.217 12.598 -0.485 1.00 0.00 H new ATOM 0 HG3 PRO A 20 9.210 13.443 0.674 1.00 0.00 H new ATOM 0 HD2 PRO A 20 10.086 10.863 1.111 1.00 0.00 H new ATOM 0 HD3 PRO A 20 8.581 11.461 1.781 1.00 0.00 H new ATOM 320 N GLN A 21 8.403 10.773 -3.548 1.00 0.00 N ATOM 321 CA GLN A 21 8.987 10.423 -4.845 1.00 0.00 C ATOM 322 C GLN A 21 9.782 9.097 -4.804 1.00 0.00 C ATOM 323 O GLN A 21 10.975 9.095 -5.107 1.00 0.00 O ATOM 324 CB GLN A 21 9.834 11.601 -5.371 1.00 0.00 C ATOM 325 CG GLN A 21 9.055 12.925 -5.449 1.00 0.00 C ATOM 326 CD GLN A 21 9.818 14.039 -6.167 1.00 0.00 C ATOM 327 OE1 GLN A 21 9.228 14.823 -6.896 1.00 0.00 O ATOM 328 NE2 GLN A 21 11.121 14.166 -5.967 1.00 0.00 N ATOM 0 H GLN A 21 7.499 11.232 -3.658 1.00 0.00 H new ATOM 0 HA GLN A 21 8.172 10.245 -5.546 1.00 0.00 H new ATOM 0 HB2 GLN A 21 10.700 11.735 -4.722 1.00 0.00 H new ATOM 0 HB3 GLN A 21 10.214 11.352 -6.362 1.00 0.00 H new ATOM 0 HG2 GLN A 21 8.110 12.752 -5.964 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.812 13.254 -4.439 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.610 13.510 -5.358 1.00 0.00 H new ATOM 0 HE22 GLN A 21 11.636 14.920 -6.422 1.00 0.00 H new ATOM 337 N PRO A 22 9.144 7.966 -4.445 1.00 0.00 N ATOM 338 CA PRO A 22 9.813 6.675 -4.412 1.00 0.00 C ATOM 339 C PRO A 22 9.963 6.124 -5.842 1.00 0.00 C ATOM 340 O PRO A 22 9.637 6.785 -6.830 1.00 0.00 O ATOM 341 CB PRO A 22 8.904 5.819 -3.539 1.00 0.00 C ATOM 342 CG PRO A 22 7.524 6.278 -3.979 1.00 0.00 C ATOM 343 CD PRO A 22 7.729 7.788 -4.130 1.00 0.00 C ATOM 0 HA PRO A 22 10.826 6.709 -4.012 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.055 4.754 -3.714 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.074 5.995 -2.477 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.217 5.811 -4.915 1.00 0.00 H new ATOM 0 HG3 PRO A 22 6.759 6.041 -3.239 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.098 8.191 -4.922 1.00 0.00 H new ATOM 0 HD3 PRO A 22 7.463 8.313 -3.212 1.00 0.00 H new ATOM 351 N ASN A 23 10.329 4.848 -5.961 1.00 0.00 N ATOM 352 CA ASN A 23 10.545 4.159 -7.226 1.00 0.00 C ATOM 353 C ASN A 23 9.932 2.767 -7.107 1.00 0.00 C ATOM 354 O ASN A 23 9.875 2.177 -6.030 1.00 0.00 O ATOM 355 CB ASN A 23 12.041 4.078 -7.576 1.00 0.00 C ATOM 356 CG ASN A 23 12.819 3.244 -6.566 1.00 0.00 C ATOM 357 OD1 ASN A 23 12.927 3.623 -5.407 1.00 0.00 O ATOM 358 ND2 ASN A 23 13.354 2.092 -6.944 1.00 0.00 N ATOM 0 H ASN A 23 10.488 4.249 -5.151 1.00 0.00 H new ATOM 0 HA ASN A 23 10.070 4.713 -8.035 1.00 0.00 H new ATOM 0 HB2 ASN A 23 12.158 3.646 -8.570 1.00 0.00 H new ATOM 0 HB3 ASN A 23 12.459 5.084 -7.615 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.858 1.518 -6.268 1.00 0.00 H new ATOM 0 HD22 ASN A 23 13.262 1.780 -7.911 1.00 0.00 H new ATOM 365 N GLU A 24 9.465 2.276 -8.253 1.00 0.00 N ATOM 366 CA GLU A 24 8.706 1.050 -8.480 1.00 0.00 C ATOM 367 C GLU A 24 9.164 -0.178 -7.687 1.00 0.00 C ATOM 368 O GLU A 24 8.312 -0.885 -7.141 1.00 0.00 O ATOM 369 CB GLU A 24 8.790 0.812 -9.998 1.00 0.00 C ATOM 370 CG GLU A 24 8.053 -0.417 -10.540 1.00 0.00 C ATOM 371 CD GLU A 24 6.552 -0.183 -10.675 1.00 0.00 C ATOM 372 OE1 GLU A 24 6.120 0.387 -11.700 1.00 0.00 O ATOM 373 OE2 GLU A 24 5.776 -0.698 -9.844 1.00 0.00 O ATOM 0 H GLU A 24 9.624 2.775 -9.128 1.00 0.00 H new ATOM 0 HA GLU A 24 7.688 1.186 -8.115 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.399 1.695 -10.504 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.842 0.727 -10.272 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.465 -0.684 -11.513 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.228 -1.264 -9.876 1.00 0.00 H new ATOM 380 N ASP A 25 10.473 -0.414 -7.559 1.00 0.00 N ATOM 381 CA ASP A 25 10.949 -1.564 -6.791 1.00 0.00 C ATOM 382 C ASP A 25 10.733 -1.306 -5.310 1.00 0.00 C ATOM 383 O ASP A 25 10.059 -2.085 -4.642 1.00 0.00 O ATOM 384 CB ASP A 25 12.420 -1.898 -7.035 1.00 0.00 C ATOM 385 CG ASP A 25 12.789 -3.055 -6.098 1.00 0.00 C ATOM 386 OD1 ASP A 25 12.335 -4.184 -6.380 1.00 0.00 O ATOM 387 OD2 ASP A 25 13.437 -2.781 -5.064 1.00 0.00 O ATOM 0 H ASP A 25 11.207 0.164 -7.968 1.00 0.00 H new ATOM 0 HA ASP A 25 10.372 -2.424 -7.130 1.00 0.00 H new ATOM 0 HB2 ASP A 25 12.582 -2.180 -8.075 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.049 -1.029 -6.838 1.00 0.00 H new ATOM 392 N THR A 26 11.241 -0.182 -4.806 1.00 0.00 N ATOM 393 CA THR A 26 11.221 0.139 -3.393 1.00 0.00 C ATOM 394 C THR A 26 9.784 0.128 -2.880 1.00 0.00 C ATOM 395 O THR A 26 9.539 -0.395 -1.797 1.00 0.00 O ATOM 396 CB THR A 26 11.893 1.502 -3.171 1.00 0.00 C ATOM 397 OG1 THR A 26 13.126 1.525 -3.861 1.00 0.00 O ATOM 398 CG2 THR A 26 12.243 1.728 -1.697 1.00 0.00 C ATOM 0 H THR A 26 11.682 0.536 -5.381 1.00 0.00 H new ATOM 0 HA THR A 26 11.779 -0.610 -2.831 1.00 0.00 H new ATOM 0 HB THR A 26 11.195 2.264 -3.518 1.00 0.00 H new ATOM 0 HG1 THR A 26 13.283 2.423 -4.220 1.00 0.00 H new ATOM 0 HG21 THR A 26 12.717 2.703 -1.581 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.333 1.693 -1.097 1.00 0.00 H new ATOM 0 HG23 THR A 26 12.929 0.949 -1.362 1.00 0.00 H new ATOM 406 N VAL A 27 8.814 0.629 -3.652 1.00 0.00 N ATOM 407 CA VAL A 27 7.412 0.533 -3.261 1.00 0.00 C ATOM 408 C VAL A 27 6.991 -0.944 -3.206 1.00 0.00 C ATOM 409 O VAL A 27 6.396 -1.363 -2.216 1.00 0.00 O ATOM 410 CB VAL A 27 6.489 1.360 -4.180 1.00 0.00 C ATOM 411 CG1 VAL A 27 5.077 1.380 -3.578 1.00 0.00 C ATOM 412 CG2 VAL A 27 6.909 2.829 -4.339 1.00 0.00 C ATOM 0 H VAL A 27 8.976 1.100 -4.542 1.00 0.00 H new ATOM 0 HA VAL A 27 7.305 0.965 -2.266 1.00 0.00 H new ATOM 0 HB VAL A 27 6.542 0.881 -5.158 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.416 1.962 -4.220 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.701 0.360 -3.499 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.110 1.832 -2.587 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.208 3.338 -5.000 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.907 3.316 -3.364 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.911 2.877 -4.766 1.00 0.00 H new ATOM 422 N THR A 28 7.288 -1.742 -4.232 1.00 0.00 N ATOM 423 CA THR A 28 6.951 -3.161 -4.308 1.00 0.00 C ATOM 424 C THR A 28 7.500 -3.935 -3.091 1.00 0.00 C ATOM 425 O THR A 28 6.738 -4.651 -2.417 1.00 0.00 O ATOM 426 CB THR A 28 7.440 -3.686 -5.676 1.00 0.00 C ATOM 427 OG1 THR A 28 6.715 -3.020 -6.693 1.00 0.00 O ATOM 428 CG2 THR A 28 7.240 -5.185 -5.896 1.00 0.00 C ATOM 0 H THR A 28 7.785 -1.407 -5.057 1.00 0.00 H new ATOM 0 HA THR A 28 5.873 -3.316 -4.254 1.00 0.00 H new ATOM 0 HB THR A 28 8.513 -3.495 -5.702 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.113 -2.139 -6.855 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.613 -5.461 -6.882 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.786 -5.741 -5.133 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.179 -5.424 -5.829 1.00 0.00 H new ATOM 436 N GLN A 29 8.790 -3.791 -2.772 1.00 0.00 N ATOM 437 CA GLN A 29 9.397 -4.471 -1.632 1.00 0.00 C ATOM 438 C GLN A 29 8.858 -3.899 -0.316 1.00 0.00 C ATOM 439 O GLN A 29 8.364 -4.653 0.532 1.00 0.00 O ATOM 440 CB GLN A 29 10.939 -4.478 -1.704 1.00 0.00 C ATOM 441 CG GLN A 29 11.665 -3.139 -1.875 1.00 0.00 C ATOM 442 CD GLN A 29 13.129 -3.249 -1.458 1.00 0.00 C ATOM 443 OE1 GLN A 29 13.421 -3.385 -0.273 1.00 0.00 O ATOM 444 NE2 GLN A 29 14.060 -3.192 -2.393 1.00 0.00 N ATOM 0 H GLN A 29 9.437 -3.202 -3.296 1.00 0.00 H new ATOM 0 HA GLN A 29 9.106 -5.521 -1.671 1.00 0.00 H new ATOM 0 HB2 GLN A 29 11.312 -4.944 -0.792 1.00 0.00 H new ATOM 0 HB3 GLN A 29 11.230 -5.122 -2.534 1.00 0.00 H new ATOM 0 HG2 GLN A 29 11.603 -2.819 -2.915 1.00 0.00 H new ATOM 0 HG3 GLN A 29 11.170 -2.375 -1.276 1.00 0.00 H new ATOM 0 HE21 GLN A 29 13.794 -3.079 -3.371 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.045 -3.261 -2.137 1.00 0.00 H new ATOM 453 N ALA A 30 8.877 -2.572 -0.149 1.00 0.00 N ATOM 454 CA ALA A 30 8.463 -1.926 1.086 1.00 0.00 C ATOM 455 C ALA A 30 7.000 -2.212 1.390 1.00 0.00 C ATOM 456 O ALA A 30 6.663 -2.253 2.563 1.00 0.00 O ATOM 457 CB ALA A 30 8.707 -0.413 1.057 1.00 0.00 C ATOM 0 H ALA A 30 9.182 -1.921 -0.872 1.00 0.00 H new ATOM 0 HA ALA A 30 9.078 -2.348 1.881 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.382 0.026 2.000 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.770 -0.219 0.913 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.143 0.031 0.237 1.00 0.00 H new ATOM 463 N ALA A 31 6.139 -2.428 0.390 1.00 0.00 N ATOM 464 CA ALA A 31 4.726 -2.750 0.550 1.00 0.00 C ATOM 465 C ALA A 31 4.526 -4.219 0.896 1.00 0.00 C ATOM 466 O ALA A 31 3.784 -4.531 1.820 1.00 0.00 O ATOM 467 CB ALA A 31 3.997 -2.479 -0.771 1.00 0.00 C ATOM 0 H ALA A 31 6.423 -2.380 -0.589 1.00 0.00 H new ATOM 0 HA ALA A 31 4.333 -2.134 1.358 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.939 -2.718 -0.659 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.105 -1.428 -1.037 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.427 -3.099 -1.558 1.00 0.00 H new ATOM 473 N SER A 32 5.133 -5.159 0.176 1.00 0.00 N ATOM 474 CA SER A 32 4.967 -6.569 0.540 1.00 0.00 C ATOM 475 C SER A 32 5.440 -6.823 1.974 1.00 0.00 C ATOM 476 O SER A 32 4.803 -7.595 2.704 1.00 0.00 O ATOM 477 CB SER A 32 5.612 -7.459 -0.529 1.00 0.00 C ATOM 478 OG SER A 32 6.923 -7.046 -0.852 1.00 0.00 O ATOM 0 H SER A 32 5.725 -4.983 -0.636 1.00 0.00 H new ATOM 0 HA SER A 32 3.911 -6.839 0.551 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.635 -8.490 -0.175 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.997 -7.445 -1.429 1.00 0.00 H new ATOM 0 HG SER A 32 6.885 -6.316 -1.504 1.00 0.00 H new ATOM 484 N GLN A 33 6.434 -6.062 2.427 1.00 0.00 N ATOM 485 CA GLN A 33 6.906 -6.082 3.793 1.00 0.00 C ATOM 486 C GLN A 33 6.176 -5.066 4.687 1.00 0.00 C ATOM 487 O GLN A 33 6.223 -5.248 5.900 1.00 0.00 O ATOM 488 CB GLN A 33 8.441 -6.117 3.851 1.00 0.00 C ATOM 489 CG GLN A 33 8.988 -7.451 3.276 1.00 0.00 C ATOM 490 CD GLN A 33 8.508 -8.687 4.056 1.00 0.00 C ATOM 491 OE1 GLN A 33 7.558 -9.378 3.670 1.00 0.00 O ATOM 492 NE2 GLN A 33 9.102 -8.939 5.214 1.00 0.00 N ATOM 0 H GLN A 33 6.939 -5.403 1.835 1.00 0.00 H new ATOM 0 HA GLN A 33 6.621 -7.023 4.263 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.849 -5.279 3.286 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.773 -5.998 4.883 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.680 -7.544 2.235 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.078 -7.424 3.285 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.885 -8.362 5.522 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.776 -9.710 5.797 1.00 0.00 H new ATOM 501 N VAL A 34 5.480 -4.034 4.170 1.00 0.00 N ATOM 502 CA VAL A 34 4.672 -3.108 4.992 1.00 0.00 C ATOM 503 C VAL A 34 3.678 -3.987 5.740 1.00 0.00 C ATOM 504 O VAL A 34 3.488 -3.870 6.947 1.00 0.00 O ATOM 505 CB VAL A 34 3.882 -2.012 4.210 1.00 0.00 C ATOM 506 CG1 VAL A 34 2.518 -2.315 3.553 1.00 0.00 C ATOM 507 CG2 VAL A 34 3.639 -0.806 5.091 1.00 0.00 C ATOM 0 H VAL A 34 5.461 -3.818 3.173 1.00 0.00 H new ATOM 0 HA VAL A 34 5.358 -2.546 5.626 1.00 0.00 H new ATOM 0 HB VAL A 34 4.567 -1.883 3.372 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.143 -1.417 3.062 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.638 -3.108 2.815 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.809 -2.634 4.317 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.087 -0.051 4.531 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.060 -1.105 5.965 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.595 -0.392 5.413 1.00 0.00 H new ATOM 517 N CYS A 35 3.115 -4.944 5.003 1.00 0.00 N ATOM 518 CA CYS A 35 2.129 -5.866 5.484 1.00 0.00 C ATOM 519 C CYS A 35 2.779 -6.790 6.476 1.00 0.00 C ATOM 520 O CYS A 35 2.206 -7.065 7.521 1.00 0.00 O ATOM 521 CB CYS A 35 1.651 -6.717 4.311 1.00 0.00 C ATOM 522 SG CYS A 35 0.995 -5.835 2.898 1.00 0.00 S ATOM 0 H CYS A 35 3.353 -5.090 4.022 1.00 0.00 H new ATOM 0 HA CYS A 35 1.301 -5.323 5.940 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.486 -7.331 3.972 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.882 -7.398 4.675 1.00 0.00 H new ATOM 527 N ASP A 36 3.920 -7.354 6.087 1.00 0.00 N ATOM 528 CA ASP A 36 4.651 -8.260 6.958 1.00 0.00 C ATOM 529 C ASP A 36 4.904 -7.654 8.350 1.00 0.00 C ATOM 530 O ASP A 36 4.714 -8.307 9.373 1.00 0.00 O ATOM 531 CB ASP A 36 5.939 -8.695 6.290 1.00 0.00 C ATOM 532 CG ASP A 36 6.414 -10.003 6.903 1.00 0.00 C ATOM 533 OD1 ASP A 36 5.599 -10.959 6.813 1.00 0.00 O ATOM 534 OD2 ASP A 36 7.580 -10.105 7.315 1.00 0.00 O ATOM 0 H ASP A 36 4.354 -7.198 5.177 1.00 0.00 H new ATOM 0 HA ASP A 36 4.032 -9.142 7.122 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.781 -8.820 5.219 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.702 -7.926 6.412 1.00 0.00 H new ATOM 539 N LYS A 37 5.291 -6.373 8.355 1.00 0.00 N ATOM 540 CA LYS A 37 5.670 -5.548 9.499 1.00 0.00 C ATOM 541 C LYS A 37 4.437 -5.157 10.320 1.00 0.00 C ATOM 542 O LYS A 37 4.508 -5.099 11.549 1.00 0.00 O ATOM 543 CB LYS A 37 6.440 -4.327 8.953 1.00 0.00 C ATOM 544 CG LYS A 37 7.195 -3.514 10.016 1.00 0.00 C ATOM 545 CD LYS A 37 7.953 -2.308 9.420 1.00 0.00 C ATOM 546 CE LYS A 37 9.059 -2.713 8.425 1.00 0.00 C ATOM 547 NZ LYS A 37 9.879 -1.561 7.969 1.00 0.00 N ATOM 0 H LYS A 37 5.351 -5.846 7.483 1.00 0.00 H new ATOM 0 HA LYS A 37 6.315 -6.097 10.185 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.153 -4.670 8.204 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.736 -3.669 8.445 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.488 -3.158 10.765 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.903 -4.165 10.529 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.242 -1.654 8.915 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.397 -1.730 10.231 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.709 -3.452 8.894 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.603 -3.193 7.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.605 -1.894 7.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.268 -0.865 7.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.339 -1.116 8.789 1.00 0.00 H new ATOM 561 N LEU A 38 3.309 -4.862 9.669 1.00 0.00 N ATOM 562 CA LEU A 38 2.061 -4.506 10.335 1.00 0.00 C ATOM 563 C LEU A 38 1.516 -5.806 10.934 1.00 0.00 C ATOM 564 O LEU A 38 0.828 -6.578 10.264 1.00 0.00 O ATOM 565 CB LEU A 38 1.054 -3.907 9.325 1.00 0.00 C ATOM 566 CG LEU A 38 1.347 -2.463 8.862 1.00 0.00 C ATOM 567 CD1 LEU A 38 0.567 -2.154 7.576 1.00 0.00 C ATOM 568 CD2 LEU A 38 0.962 -1.420 9.920 1.00 0.00 C ATOM 0 H LEU A 38 3.240 -4.865 8.651 1.00 0.00 H new ATOM 0 HA LEU A 38 2.223 -3.751 11.104 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.023 -4.551 8.446 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.061 -3.931 9.773 1.00 0.00 H new ATOM 0 HG LEU A 38 2.422 -2.402 8.690 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.780 -1.134 7.257 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.868 -2.849 6.792 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.501 -2.260 7.764 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.188 -0.422 9.546 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.104 -1.495 10.134 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.529 -1.602 10.833 1.00 0.00 H new ATOM 580 N LYS A 39 1.730 -6.033 12.235 1.00 0.00 N ATOM 581 CA LYS A 39 1.354 -7.320 12.829 1.00 0.00 C ATOM 582 C LYS A 39 -0.158 -7.300 13.043 1.00 0.00 C ATOM 583 O LYS A 39 -0.754 -6.229 13.143 1.00 0.00 O ATOM 584 CB LYS A 39 2.159 -7.560 14.127 1.00 0.00 C ATOM 585 CG LYS A 39 1.903 -6.543 15.263 1.00 0.00 C ATOM 586 CD LYS A 39 3.073 -6.448 16.264 1.00 0.00 C ATOM 587 CE LYS A 39 3.265 -7.675 17.175 1.00 0.00 C ATOM 588 NZ LYS A 39 2.405 -7.646 18.385 1.00 0.00 N ATOM 0 H LYS A 39 2.149 -5.364 12.881 1.00 0.00 H new ATOM 0 HA LYS A 39 1.597 -8.157 12.175 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.929 -8.559 14.498 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.221 -7.547 13.883 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.723 -5.560 14.829 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.997 -6.826 15.798 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.994 -6.284 15.705 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.921 -5.570 16.892 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.050 -8.579 16.606 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.310 -7.732 17.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.581 -8.497 18.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.626 -6.800 18.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.405 -7.621 18.100 1.00 0.00 H new ATOM 602 N ILE A 40 -0.769 -8.487 13.149 1.00 0.00 N ATOM 603 CA ILE A 40 -2.220 -8.736 13.213 1.00 0.00 C ATOM 604 C ILE A 40 -2.812 -8.444 11.827 1.00 0.00 C ATOM 605 O ILE A 40 -3.324 -9.339 11.159 1.00 0.00 O ATOM 606 CB ILE A 40 -2.963 -7.971 14.348 1.00 0.00 C ATOM 607 CG1 ILE A 40 -2.417 -8.310 15.753 1.00 0.00 C ATOM 608 CG2 ILE A 40 -4.492 -8.177 14.274 1.00 0.00 C ATOM 609 CD1 ILE A 40 -2.513 -9.787 16.162 1.00 0.00 C ATOM 0 H ILE A 40 -0.233 -9.354 13.195 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.370 -9.782 13.481 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.763 -6.913 14.182 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.372 -8.005 15.800 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.957 -7.712 16.487 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.973 -7.627 15.083 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.862 -7.811 13.316 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.721 -9.238 14.370 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.103 -9.915 17.164 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.557 -10.099 16.155 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.947 -10.397 15.458 1.00 0.00 H new ATOM 621 N LEU A 41 -2.610 -7.230 11.319 1.00 0.00 N ATOM 622 CA LEU A 41 -3.201 -6.717 10.090 1.00 0.00 C ATOM 623 C LEU A 41 -2.398 -7.157 8.842 1.00 0.00 C ATOM 624 O LEU A 41 -2.764 -6.840 7.706 1.00 0.00 O ATOM 625 CB LEU A 41 -3.269 -5.189 10.336 1.00 0.00 C ATOM 626 CG LEU A 41 -4.242 -4.310 9.529 1.00 0.00 C ATOM 627 CD1 LEU A 41 -3.563 -3.637 8.344 1.00 0.00 C ATOM 628 CD2 LEU A 41 -5.527 -5.029 9.111 1.00 0.00 C ATOM 0 H LEU A 41 -2.003 -6.549 11.775 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.193 -7.111 9.869 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.503 -5.043 11.391 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.267 -4.792 10.174 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.554 -3.526 10.219 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.290 -3.028 7.806 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.752 -3.003 8.702 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.161 -4.398 7.675 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.160 -4.344 8.547 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.277 -5.888 8.489 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.060 -5.367 9.999 1.00 0.00 H new ATOM 640 N ARG A 42 -1.421 -8.058 9.036 1.00 0.00 N ATOM 641 CA ARG A 42 -0.608 -8.722 8.016 1.00 0.00 C ATOM 642 C ARG A 42 -1.496 -9.490 7.055 1.00 0.00 C ATOM 643 O ARG A 42 -1.209 -9.478 5.862 1.00 0.00 O ATOM 644 CB ARG A 42 0.431 -9.642 8.703 1.00 0.00 C ATOM 645 CG ARG A 42 1.287 -10.427 7.690 1.00 0.00 C ATOM 646 CD ARG A 42 2.642 -10.919 8.226 1.00 0.00 C ATOM 647 NE ARG A 42 2.606 -12.109 9.094 1.00 0.00 N ATOM 648 CZ ARG A 42 3.710 -12.784 9.475 1.00 0.00 C ATOM 649 NH1 ARG A 42 4.920 -12.467 9.015 1.00 0.00 N ATOM 650 NH2 ARG A 42 3.598 -13.800 10.329 1.00 0.00 N ATOM 0 H ARG A 42 -1.164 -8.359 9.976 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.067 -7.977 7.432 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.083 -9.039 9.335 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.086 -10.344 9.357 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.715 -11.289 7.345 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.465 -9.794 6.821 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.289 -11.135 7.376 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.107 -10.104 8.781 1.00 0.00 H new ATOM 0 HE ARG A 42 1.699 -12.440 9.424 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.029 -11.696 8.357 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.737 -12.996 9.321 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.681 -14.063 10.691 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.429 -14.315 10.621 1.00 0.00 H new ATOM 664 N GLY A 43 -2.559 -10.138 7.540 1.00 0.00 N ATOM 665 CA GLY A 43 -3.442 -10.932 6.697 1.00 0.00 C ATOM 666 C GLY A 43 -4.096 -10.082 5.610 1.00 0.00 C ATOM 667 O GLY A 43 -4.030 -10.432 4.431 1.00 0.00 O ATOM 0 H GLY A 43 -2.826 -10.124 8.524 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.875 -11.741 6.236 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.214 -11.394 7.312 1.00 0.00 H new ATOM 671 N LEU A 44 -4.714 -8.960 6.002 1.00 0.00 N ATOM 672 CA LEU A 44 -5.482 -8.108 5.103 1.00 0.00 C ATOM 673 C LEU A 44 -4.519 -7.546 4.060 1.00 0.00 C ATOM 674 O LEU A 44 -4.672 -7.805 2.869 1.00 0.00 O ATOM 675 CB LEU A 44 -6.207 -7.026 5.935 1.00 0.00 C ATOM 676 CG LEU A 44 -7.419 -6.320 5.299 1.00 0.00 C ATOM 677 CD1 LEU A 44 -7.068 -5.567 4.018 1.00 0.00 C ATOM 678 CD2 LEU A 44 -8.582 -7.283 5.034 1.00 0.00 C ATOM 0 H LEU A 44 -4.691 -8.620 6.964 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.260 -8.654 4.570 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.539 -7.486 6.866 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.476 -6.262 6.200 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.738 -5.586 6.039 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.964 -5.091 3.619 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.320 -4.805 4.237 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.670 -6.266 3.283 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.412 -6.737 4.585 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.255 -8.070 4.354 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.907 -7.728 5.974 1.00 0.00 H new ATOM 690 N CYS A 45 -3.484 -6.838 4.516 1.00 0.00 N ATOM 691 CA CYS A 45 -2.446 -6.269 3.693 1.00 0.00 C ATOM 692 C CYS A 45 -1.809 -7.298 2.754 1.00 0.00 C ATOM 693 O CYS A 45 -1.787 -7.060 1.549 1.00 0.00 O ATOM 694 CB CYS A 45 -1.453 -5.608 4.643 1.00 0.00 C ATOM 695 SG CYS A 45 -0.229 -4.553 3.849 1.00 0.00 S ATOM 0 H CYS A 45 -3.352 -6.645 5.509 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.854 -5.524 3.010 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -2.008 -5.013 5.368 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.933 -6.387 5.201 1.00 0.00 H new ATOM 700 N LYS A 46 -1.305 -8.441 3.242 1.00 0.00 N ATOM 701 CA LYS A 46 -0.690 -9.426 2.342 1.00 0.00 C ATOM 702 C LYS A 46 -1.688 -9.875 1.273 1.00 0.00 C ATOM 703 O LYS A 46 -1.262 -10.038 0.132 1.00 0.00 O ATOM 704 CB LYS A 46 0.115 -10.549 3.036 1.00 0.00 C ATOM 705 CG LYS A 46 1.476 -9.969 3.491 1.00 0.00 C ATOM 706 CD LYS A 46 2.588 -10.946 3.899 1.00 0.00 C ATOM 707 CE LYS A 46 3.964 -10.264 3.686 1.00 0.00 C ATOM 708 NZ LYS A 46 5.168 -11.051 4.067 1.00 0.00 N ATOM 0 H LYS A 46 -1.310 -8.702 4.228 1.00 0.00 H new ATOM 0 HA LYS A 46 0.114 -8.916 1.812 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.437 -10.937 3.892 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.269 -11.383 2.352 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.860 -9.349 2.681 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.289 -9.308 4.337 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.469 -11.236 4.943 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.524 -11.858 3.305 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.052 -9.997 2.633 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.973 -9.333 4.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.025 -10.525 3.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.166 -11.213 5.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.155 -11.966 3.573 1.00 0.00 H new ATOM 722 N LYS A 47 -2.985 -10.062 1.571 1.00 0.00 N ATOM 723 CA LYS A 47 -3.954 -10.352 0.508 1.00 0.00 C ATOM 724 C LYS A 47 -4.013 -9.193 -0.491 1.00 0.00 C ATOM 725 O LYS A 47 -3.972 -9.471 -1.688 1.00 0.00 O ATOM 726 CB LYS A 47 -5.336 -10.720 1.053 1.00 0.00 C ATOM 727 CG LYS A 47 -6.384 -10.907 -0.065 1.00 0.00 C ATOM 728 CD LYS A 47 -6.076 -11.935 -1.176 1.00 0.00 C ATOM 729 CE LYS A 47 -6.977 -11.759 -2.415 1.00 0.00 C ATOM 730 NZ LYS A 47 -8.402 -12.095 -2.181 1.00 0.00 N ATOM 0 H LYS A 47 -3.376 -10.019 2.512 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.605 -11.238 -0.023 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.261 -11.640 1.633 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.673 -9.940 1.735 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.326 -11.192 0.403 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.544 -9.939 -0.539 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.032 -11.840 -1.474 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.203 -12.942 -0.779 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.910 -10.726 -2.756 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.595 -12.386 -3.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.941 -11.952 -3.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.480 -13.089 -1.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.786 -11.480 -1.435 1.00 0.00 H new ATOM 744 N ILE A 48 -4.131 -7.940 -0.038 1.00 0.00 N ATOM 745 CA ILE A 48 -4.234 -6.755 -0.898 1.00 0.00 C ATOM 746 C ILE A 48 -3.042 -6.773 -1.852 1.00 0.00 C ATOM 747 O ILE A 48 -3.229 -6.792 -3.064 1.00 0.00 O ATOM 748 CB ILE A 48 -4.295 -5.453 -0.053 1.00 0.00 C ATOM 749 CG1 ILE A 48 -5.527 -5.409 0.881 1.00 0.00 C ATOM 750 CG2 ILE A 48 -4.188 -4.174 -0.907 1.00 0.00 C ATOM 751 CD1 ILE A 48 -6.790 -4.728 0.351 1.00 0.00 C ATOM 0 H ILE A 48 -4.158 -7.716 0.957 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.159 -6.777 -1.474 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.410 -5.479 0.583 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.784 -6.434 1.147 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.234 -4.904 1.802 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.237 -3.299 -0.259 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.240 -4.174 -1.446 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.011 -4.143 -1.621 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -7.572 -4.771 1.109 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -6.570 -3.687 0.115 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -7.129 -5.240 -0.549 1.00 0.00 H new ATOM 763 N MET A 49 -1.825 -6.826 -1.312 1.00 0.00 N ATOM 764 CA MET A 49 -0.592 -6.830 -2.076 1.00 0.00 C ATOM 765 C MET A 49 -0.551 -8.034 -3.016 1.00 0.00 C ATOM 766 O MET A 49 -0.374 -7.839 -4.211 1.00 0.00 O ATOM 767 CB MET A 49 0.605 -6.751 -1.117 1.00 0.00 C ATOM 768 CG MET A 49 0.870 -5.309 -0.650 1.00 0.00 C ATOM 769 SD MET A 49 -0.512 -4.367 0.062 1.00 0.00 S ATOM 770 CE MET A 49 0.371 -2.851 0.495 1.00 0.00 C ATOM 0 H MET A 49 -1.673 -6.868 -0.304 1.00 0.00 H new ATOM 0 HA MET A 49 -0.539 -5.951 -2.718 1.00 0.00 H new ATOM 0 HB2 MET A 49 0.419 -7.385 -0.250 1.00 0.00 H new ATOM 0 HB3 MET A 49 1.494 -7.142 -1.612 1.00 0.00 H new ATOM 0 HG2 MET A 49 1.668 -5.341 0.092 1.00 0.00 H new ATOM 0 HG3 MET A 49 1.251 -4.748 -1.503 1.00 0.00 H new ATOM 0 HE1 MET A 49 -0.347 -2.077 0.767 1.00 0.00 H new ATOM 0 HE2 MET A 49 1.033 -3.044 1.339 1.00 0.00 H new ATOM 0 HE3 MET A 49 0.960 -2.516 -0.359 1.00 0.00 H new ATOM 780 N ARG A 50 -0.772 -9.273 -2.559 1.00 0.00 N ATOM 781 CA ARG A 50 -0.702 -10.437 -3.457 1.00 0.00 C ATOM 782 C ARG A 50 -1.667 -10.303 -4.631 1.00 0.00 C ATOM 783 O ARG A 50 -1.393 -10.834 -5.707 1.00 0.00 O ATOM 784 CB ARG A 50 -0.976 -11.730 -2.672 1.00 0.00 C ATOM 785 CG ARG A 50 -0.443 -12.997 -3.371 1.00 0.00 C ATOM 786 CD ARG A 50 -1.471 -13.702 -4.272 1.00 0.00 C ATOM 787 NE ARG A 50 -0.828 -14.666 -5.186 1.00 0.00 N ATOM 788 CZ ARG A 50 -0.389 -14.418 -6.432 1.00 0.00 C ATOM 789 NH1 ARG A 50 -0.469 -13.199 -6.967 1.00 0.00 N ATOM 790 NH2 ARG A 50 0.139 -15.411 -7.146 1.00 0.00 N ATOM 0 H ARG A 50 -0.997 -9.496 -1.589 1.00 0.00 H new ATOM 0 HA ARG A 50 0.306 -10.481 -3.869 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.521 -11.650 -1.685 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -2.050 -11.833 -2.520 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.426 -12.728 -3.972 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.100 -13.700 -2.612 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.202 -14.221 -3.652 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.016 -12.958 -4.853 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.704 -15.616 -4.837 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.870 -12.431 -6.429 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -0.129 -13.035 -7.915 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.207 -16.347 -6.746 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.476 -15.235 -8.093 1.00 0.00 H new ATOM 804 N SER A 51 -2.803 -9.660 -4.394 1.00 0.00 N ATOM 805 CA SER A 51 -3.861 -9.464 -5.368 1.00 0.00 C ATOM 806 C SER A 51 -3.602 -8.262 -6.292 1.00 0.00 C ATOM 807 O SER A 51 -3.954 -8.345 -7.465 1.00 0.00 O ATOM 808 CB SER A 51 -5.166 -9.286 -4.576 1.00 0.00 C ATOM 809 OG SER A 51 -6.329 -9.548 -5.330 1.00 0.00 O ATOM 0 H SER A 51 -3.017 -9.248 -3.486 1.00 0.00 H new ATOM 0 HA SER A 51 -3.916 -10.327 -6.031 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.148 -9.948 -3.711 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.213 -8.266 -4.195 1.00 0.00 H new ATOM 0 HG SER A 51 -6.770 -8.702 -5.556 1.00 0.00 H new ATOM 815 N PHE A 52 -2.980 -7.172 -5.818 1.00 0.00 N ATOM 816 CA PHE A 52 -2.825 -5.936 -6.589 1.00 0.00 C ATOM 817 C PHE A 52 -1.469 -5.233 -6.367 1.00 0.00 C ATOM 818 O PHE A 52 -1.415 -4.009 -6.454 1.00 0.00 O ATOM 819 CB PHE A 52 -3.970 -4.964 -6.192 1.00 0.00 C ATOM 820 CG PHE A 52 -5.363 -5.532 -5.957 1.00 0.00 C ATOM 821 CD1 PHE A 52 -6.089 -6.115 -7.013 1.00 0.00 C ATOM 822 CD2 PHE A 52 -5.933 -5.478 -4.670 1.00 0.00 C ATOM 823 CE1 PHE A 52 -7.374 -6.638 -6.782 1.00 0.00 C ATOM 824 CE2 PHE A 52 -7.220 -5.993 -4.440 1.00 0.00 C ATOM 825 CZ PHE A 52 -7.943 -6.571 -5.497 1.00 0.00 C ATOM 0 H PHE A 52 -2.570 -7.126 -4.885 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.866 -6.207 -7.644 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.665 -4.449 -5.281 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.049 -4.209 -6.974 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.658 -6.161 -8.002 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.377 -5.038 -3.855 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -7.925 -7.092 -7.592 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.653 -5.945 -3.452 1.00 0.00 H new ATOM 0 HZ PHE A 52 -8.934 -6.963 -5.323 1.00 0.00 H new ATOM 835 N LEU A 53 -0.337 -5.936 -6.241 1.00 0.00 N ATOM 836 CA LEU A 53 0.947 -5.309 -5.880 1.00 0.00 C ATOM 837 C LEU A 53 1.376 -4.213 -6.853 1.00 0.00 C ATOM 838 O LEU A 53 1.555 -3.075 -6.427 1.00 0.00 O ATOM 839 CB LEU A 53 2.065 -6.356 -5.708 1.00 0.00 C ATOM 840 CG LEU A 53 3.373 -5.807 -5.097 1.00 0.00 C ATOM 841 CD1 LEU A 53 3.169 -4.971 -3.827 1.00 0.00 C ATOM 842 CD2 LEU A 53 4.250 -7.009 -4.719 1.00 0.00 C ATOM 0 H LEU A 53 -0.281 -6.944 -6.384 1.00 0.00 H new ATOM 0 HA LEU A 53 0.778 -4.826 -4.918 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.695 -7.163 -5.075 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.289 -6.792 -6.682 1.00 0.00 H new ATOM 0 HG LEU A 53 3.823 -5.153 -5.844 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.135 -4.623 -3.461 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.537 -4.113 -4.054 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.690 -5.582 -3.062 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.184 -6.655 -4.283 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.724 -7.630 -3.994 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.466 -7.597 -5.611 1.00 0.00 H new ATOM 854 N ARG A 54 1.533 -4.524 -8.144 1.00 0.00 N ATOM 855 CA ARG A 54 1.895 -3.512 -9.139 1.00 0.00 C ATOM 856 C ARG A 54 0.925 -2.320 -9.129 1.00 0.00 C ATOM 857 O ARG A 54 1.348 -1.200 -9.399 1.00 0.00 O ATOM 858 CB ARG A 54 1.998 -4.162 -10.535 1.00 0.00 C ATOM 859 CG ARG A 54 2.658 -3.272 -11.605 1.00 0.00 C ATOM 860 CD ARG A 54 4.179 -3.157 -11.422 1.00 0.00 C ATOM 861 NE ARG A 54 4.745 -2.070 -12.231 1.00 0.00 N ATOM 862 CZ ARG A 54 5.184 -2.077 -13.494 1.00 0.00 C ATOM 863 NH1 ARG A 54 5.057 -3.162 -14.259 1.00 0.00 N ATOM 864 NH2 ARG A 54 5.752 -0.984 -13.983 1.00 0.00 N ATOM 0 H ARG A 54 1.416 -5.464 -8.522 1.00 0.00 H new ATOM 0 HA ARG A 54 2.872 -3.107 -8.876 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.566 -5.088 -10.450 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.997 -4.432 -10.871 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.445 -3.679 -12.593 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.215 -2.277 -11.568 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.406 -2.984 -10.370 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.651 -4.100 -11.699 1.00 0.00 H new ATOM 0 HE ARG A 54 4.814 -1.170 -11.756 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.620 -4.003 -13.883 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.397 -3.151 -15.221 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.849 -0.154 -13.398 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.092 -0.973 -14.944 1.00 0.00 H new ATOM 878 N ARG A 55 -0.368 -2.507 -8.812 1.00 0.00 N ATOM 879 CA ARG A 55 -1.272 -1.391 -8.681 1.00 0.00 C ATOM 880 C ARG A 55 -0.892 -0.577 -7.443 1.00 0.00 C ATOM 881 O ARG A 55 -0.774 0.634 -7.556 1.00 0.00 O ATOM 882 CB ARG A 55 -2.729 -1.870 -8.614 1.00 0.00 C ATOM 883 CG ARG A 55 -3.294 -2.577 -9.861 1.00 0.00 C ATOM 884 CD ARG A 55 -3.251 -1.776 -11.176 1.00 0.00 C ATOM 885 NE ARG A 55 -4.210 -0.656 -11.220 1.00 0.00 N ATOM 886 CZ ARG A 55 -5.381 -0.588 -11.873 1.00 0.00 C ATOM 887 NH1 ARG A 55 -5.876 -1.647 -12.513 1.00 0.00 N ATOM 888 NH2 ARG A 55 -6.056 0.557 -11.883 1.00 0.00 N ATOM 0 H ARG A 55 -0.792 -3.420 -8.646 1.00 0.00 H new ATOM 0 HA ARG A 55 -1.187 -0.752 -9.560 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -2.823 -2.551 -7.768 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.359 -1.007 -8.400 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -2.742 -3.506 -10.008 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -4.330 -2.850 -9.660 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.244 -1.386 -11.321 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.454 -2.450 -12.008 1.00 0.00 H new ATOM 0 HE ARG A 55 -3.950 0.173 -10.686 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -5.363 -2.529 -12.512 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.767 -1.576 -13.004 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -5.683 1.373 -11.398 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -6.947 0.620 -12.376 1.00 0.00 H new ATOM 902 N ILE A 56 -0.666 -1.195 -6.283 1.00 0.00 N ATOM 903 CA ILE A 56 -0.301 -0.428 -5.093 1.00 0.00 C ATOM 904 C ILE A 56 0.966 0.400 -5.347 1.00 0.00 C ATOM 905 O ILE A 56 1.057 1.517 -4.843 1.00 0.00 O ATOM 906 CB ILE A 56 -0.222 -1.319 -3.834 1.00 0.00 C ATOM 907 CG1 ILE A 56 -1.521 -2.123 -3.575 1.00 0.00 C ATOM 908 CG2 ILE A 56 0.092 -0.444 -2.609 1.00 0.00 C ATOM 909 CD1 ILE A 56 -2.829 -1.350 -3.801 1.00 0.00 C ATOM 0 H ILE A 56 -0.728 -2.203 -6.143 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.098 0.286 -4.884 1.00 0.00 H new ATOM 0 HB ILE A 56 0.572 -2.046 -4.006 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.521 -3.000 -4.222 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.505 -2.485 -2.547 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.148 -1.071 -1.719 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.046 0.061 -2.758 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.696 0.298 -2.481 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.677 -2.002 -3.593 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.862 -0.488 -3.135 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.877 -1.011 -4.836 1.00 0.00 H new ATOM 921 N SER A 57 1.870 -0.069 -6.210 1.00 0.00 N ATOM 922 CA SER A 57 3.038 0.701 -6.589 1.00 0.00 C ATOM 923 C SER A 57 2.606 1.914 -7.423 1.00 0.00 C ATOM 924 O SER A 57 2.870 3.036 -6.995 1.00 0.00 O ATOM 925 CB SER A 57 4.016 -0.228 -7.312 1.00 0.00 C ATOM 926 OG SER A 57 5.226 0.416 -7.598 1.00 0.00 O ATOM 0 H SER A 57 1.807 -0.984 -6.657 1.00 0.00 H new ATOM 0 HA SER A 57 3.556 1.102 -5.718 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.208 -1.106 -6.695 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.564 -0.582 -8.239 1.00 0.00 H new ATOM 0 HG SER A 57 5.496 0.211 -8.518 1.00 0.00 H new ATOM 932 N TRP A 58 1.867 1.733 -8.532 1.00 0.00 N ATOM 933 CA TRP A 58 1.293 2.834 -9.325 1.00 0.00 C ATOM 934 C TRP A 58 0.629 3.868 -8.413 1.00 0.00 C ATOM 935 O TRP A 58 0.815 5.071 -8.593 1.00 0.00 O ATOM 936 CB TRP A 58 0.304 2.315 -10.394 1.00 0.00 C ATOM 937 CG TRP A 58 -0.952 3.128 -10.622 1.00 0.00 C ATOM 938 CD1 TRP A 58 -1.025 4.383 -11.119 1.00 0.00 C ATOM 939 CD2 TRP A 58 -2.325 2.796 -10.268 1.00 0.00 C ATOM 940 NE1 TRP A 58 -2.334 4.834 -11.086 1.00 0.00 N ATOM 941 CE2 TRP A 58 -3.203 3.837 -10.686 1.00 0.00 C ATOM 942 CE3 TRP A 58 -2.917 1.725 -9.586 1.00 0.00 C ATOM 943 CZ2 TRP A 58 -4.605 3.730 -10.552 1.00 0.00 C ATOM 944 CZ3 TRP A 58 -4.282 1.672 -9.326 1.00 0.00 C ATOM 945 CH2 TRP A 58 -5.145 2.642 -9.836 1.00 0.00 C ATOM 0 H TRP A 58 1.650 0.809 -8.906 1.00 0.00 H new ATOM 0 HA TRP A 58 2.111 3.321 -9.855 1.00 0.00 H new ATOM 0 HB2 TRP A 58 0.837 2.243 -11.342 1.00 0.00 H new ATOM 0 HB3 TRP A 58 0.007 1.303 -10.118 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -0.184 4.952 -11.488 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -2.621 5.783 -11.327 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -2.291 0.912 -9.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.255 4.472 -10.992 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -4.679 0.870 -8.722 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -6.211 2.561 -9.685 1.00 0.00 H new ATOM 956 N ASP A 59 -0.203 3.399 -7.486 1.00 0.00 N ATOM 957 CA ASP A 59 -0.902 4.220 -6.516 1.00 0.00 C ATOM 958 C ASP A 59 0.058 5.161 -5.781 1.00 0.00 C ATOM 959 O ASP A 59 -0.193 6.367 -5.784 1.00 0.00 O ATOM 960 CB ASP A 59 -1.751 3.341 -5.580 1.00 0.00 C ATOM 961 CG ASP A 59 -3.085 2.940 -6.219 1.00 0.00 C ATOM 962 OD1 ASP A 59 -3.446 1.745 -6.165 1.00 0.00 O ATOM 963 OD2 ASP A 59 -3.898 3.862 -6.806 1.00 0.00 O ATOM 0 H ASP A 59 -0.412 2.405 -7.391 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.599 4.874 -7.040 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.190 2.444 -5.319 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.942 3.879 -4.652 1.00 0.00 H new ATOM 969 N ILE A 60 1.121 4.654 -5.140 1.00 0.00 N ATOM 970 CA ILE A 60 2.121 5.525 -4.511 1.00 0.00 C ATOM 971 C ILE A 60 2.806 6.419 -5.555 1.00 0.00 C ATOM 972 O ILE A 60 2.950 7.614 -5.325 1.00 0.00 O ATOM 973 CB ILE A 60 3.171 4.762 -3.672 1.00 0.00 C ATOM 974 CG1 ILE A 60 2.604 3.727 -2.678 1.00 0.00 C ATOM 975 CG2 ILE A 60 3.988 5.774 -2.846 1.00 0.00 C ATOM 976 CD1 ILE A 60 1.336 4.114 -1.925 1.00 0.00 C ATOM 0 H ILE A 60 1.308 3.656 -5.044 1.00 0.00 H new ATOM 0 HA ILE A 60 1.570 6.151 -3.809 1.00 0.00 H new ATOM 0 HB ILE A 60 3.763 4.212 -4.403 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.405 2.805 -3.225 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.378 3.502 -1.945 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.731 5.243 -2.251 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.491 6.470 -3.517 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.321 6.326 -2.184 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.045 3.300 -1.261 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.522 5.013 -1.337 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.534 4.306 -2.638 1.00 0.00 H new ATOM 988 N LEU A 61 3.257 5.851 -6.680 1.00 0.00 N ATOM 989 CA LEU A 61 4.040 6.552 -7.704 1.00 0.00 C ATOM 990 C LEU A 61 3.285 7.748 -8.291 1.00 0.00 C ATOM 991 O LEU A 61 3.897 8.766 -8.588 1.00 0.00 O ATOM 992 CB LEU A 61 4.447 5.586 -8.833 1.00 0.00 C ATOM 993 CG LEU A 61 5.460 4.495 -8.427 1.00 0.00 C ATOM 994 CD1 LEU A 61 5.494 3.403 -9.502 1.00 0.00 C ATOM 995 CD2 LEU A 61 6.879 5.040 -8.237 1.00 0.00 C ATOM 0 H LEU A 61 3.084 4.872 -6.908 1.00 0.00 H new ATOM 0 HA LEU A 61 4.936 6.932 -7.213 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.549 5.102 -9.217 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.871 6.167 -9.652 1.00 0.00 H new ATOM 0 HG LEU A 61 5.127 4.096 -7.469 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.210 2.632 -9.215 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.503 2.959 -9.601 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.793 3.840 -10.455 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.546 4.226 -7.952 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.226 5.484 -9.170 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.876 5.798 -7.453 1.00 0.00 H new ATOM 1007 N THR A 62 1.961 7.661 -8.432 1.00 0.00 N ATOM 1008 CA THR A 62 1.112 8.776 -8.865 1.00 0.00 C ATOM 1009 C THR A 62 0.779 9.735 -7.706 1.00 0.00 C ATOM 1010 O THR A 62 -0.149 10.535 -7.813 1.00 0.00 O ATOM 1011 CB THR A 62 -0.128 8.248 -9.623 1.00 0.00 C ATOM 1012 OG1 THR A 62 -0.828 7.201 -8.959 1.00 0.00 O ATOM 1013 CG2 THR A 62 0.280 7.732 -11.007 1.00 0.00 C ATOM 0 H THR A 62 1.440 6.804 -8.247 1.00 0.00 H new ATOM 0 HA THR A 62 1.671 9.386 -9.574 1.00 0.00 H new ATOM 0 HB THR A 62 -0.802 9.102 -9.685 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.279 6.389 -8.959 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.601 7.363 -11.532 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.730 8.543 -11.580 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.002 6.923 -10.895 1.00 0.00 H new ATOM 1021 N GLY A 63 1.516 9.637 -6.593 1.00 0.00 N ATOM 1022 CA GLY A 63 1.342 10.323 -5.324 1.00 0.00 C ATOM 1023 C GLY A 63 -0.124 10.412 -4.943 1.00 0.00 C ATOM 1024 O GLY A 63 -0.584 11.457 -4.471 1.00 0.00 O ATOM 0 H GLY A 63 2.323 9.014 -6.564 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.891 9.795 -4.544 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.765 11.326 -5.389 1.00 0.00 H new ATOM 1028 N LYS A 64 -0.854 9.295 -5.026 1.00 0.00 N ATOM 1029 CA LYS A 64 -2.283 9.358 -4.787 1.00 0.00 C ATOM 1030 C LYS A 64 -2.456 9.153 -3.291 1.00 0.00 C ATOM 1031 O LYS A 64 -1.707 8.422 -2.646 1.00 0.00 O ATOM 1032 CB LYS A 64 -2.948 8.304 -5.684 1.00 0.00 C ATOM 1033 CG LYS A 64 -4.477 8.426 -5.745 1.00 0.00 C ATOM 1034 CD LYS A 64 -5.101 7.293 -6.573 1.00 0.00 C ATOM 1035 CE LYS A 64 -4.472 7.179 -7.970 1.00 0.00 C ATOM 1036 NZ LYS A 64 -4.995 6.013 -8.696 1.00 0.00 N ATOM 0 H LYS A 64 -0.487 8.370 -5.250 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.762 10.303 -5.044 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.544 8.391 -6.693 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.685 7.311 -5.320 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.885 8.406 -4.734 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.749 9.388 -6.180 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.978 6.348 -6.043 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.173 7.466 -6.672 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.676 8.086 -8.539 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -3.389 7.098 -7.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.376 5.801 -9.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.026 5.192 -8.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.954 6.220 -9.040 1.00 0.00 H new ATOM 1050 N LYS A 65 -3.414 9.856 -2.697 1.00 0.00 N ATOM 1051 CA LYS A 65 -3.643 9.754 -1.253 1.00 0.00 C ATOM 1052 C LYS A 65 -4.272 8.412 -0.870 1.00 0.00 C ATOM 1053 O LYS A 65 -5.005 7.845 -1.673 1.00 0.00 O ATOM 1054 CB LYS A 65 -4.329 11.028 -0.731 1.00 0.00 C ATOM 1055 CG LYS A 65 -3.359 12.209 -0.462 1.00 0.00 C ATOM 1056 CD LYS A 65 -2.239 12.555 -1.474 1.00 0.00 C ATOM 1057 CE LYS A 65 -0.972 11.668 -1.440 1.00 0.00 C ATOM 1058 NZ LYS A 65 -0.261 11.667 -0.141 1.00 0.00 N ATOM 0 H LYS A 65 -4.041 10.497 -3.183 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.694 9.725 -0.717 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.079 11.346 -1.455 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.858 10.790 0.192 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.969 13.104 -0.339 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -2.878 12.017 0.497 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.661 12.507 -2.478 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.935 13.588 -1.305 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.253 10.644 -1.687 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.285 12.006 -2.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.762 11.752 -0.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.588 12.470 0.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.458 10.778 0.362 1.00 0.00 H new ATOM 1072 N PRO A 66 -4.148 7.969 0.391 1.00 0.00 N ATOM 1073 CA PRO A 66 -4.582 6.652 0.851 1.00 0.00 C ATOM 1074 C PRO A 66 -6.090 6.442 0.765 1.00 0.00 C ATOM 1075 O PRO A 66 -6.532 5.444 0.203 1.00 0.00 O ATOM 1076 CB PRO A 66 -4.061 6.529 2.288 1.00 0.00 C ATOM 1077 CG PRO A 66 -3.826 7.970 2.723 1.00 0.00 C ATOM 1078 CD PRO A 66 -3.369 8.611 1.427 1.00 0.00 C ATOM 0 HA PRO A 66 -4.180 5.872 0.205 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.785 6.031 2.933 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.142 5.945 2.330 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.733 8.433 3.112 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.070 8.044 3.505 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.540 9.687 1.438 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.301 8.460 1.268 1.00 0.00 H new ATOM 1086 N GLN A 67 -6.886 7.367 1.312 1.00 0.00 N ATOM 1087 CA GLN A 67 -8.344 7.306 1.230 1.00 0.00 C ATOM 1088 C GLN A 67 -8.791 7.213 -0.233 1.00 0.00 C ATOM 1089 O GLN A 67 -9.719 6.459 -0.534 1.00 0.00 O ATOM 1090 CB GLN A 67 -8.935 8.510 1.991 1.00 0.00 C ATOM 1091 CG GLN A 67 -10.446 8.751 1.793 1.00 0.00 C ATOM 1092 CD GLN A 67 -10.789 9.462 0.478 1.00 0.00 C ATOM 1093 OE1 GLN A 67 -9.942 10.089 -0.146 1.00 0.00 O ATOM 1094 NE2 GLN A 67 -12.027 9.377 0.020 1.00 0.00 N ATOM 0 H GLN A 67 -6.535 8.177 1.823 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.726 6.405 1.709 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.744 8.373 3.055 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.399 9.408 1.684 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -10.965 7.793 1.824 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -10.823 9.345 2.626 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -12.729 8.854 0.543 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -12.279 9.835 -0.856 1.00 0.00 H new ATOM 1103 N ALA A 68 -8.081 7.889 -1.139 1.00 0.00 N ATOM 1104 CA ALA A 68 -8.465 7.926 -2.532 1.00 0.00 C ATOM 1105 C ALA A 68 -8.040 6.613 -3.177 1.00 0.00 C ATOM 1106 O ALA A 68 -8.851 6.046 -3.892 1.00 0.00 O ATOM 1107 CB ALA A 68 -7.819 9.126 -3.233 1.00 0.00 C ATOM 0 H ALA A 68 -7.236 8.417 -0.921 1.00 0.00 H new ATOM 0 HA ALA A 68 -9.545 8.043 -2.625 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.118 9.139 -4.281 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.145 10.048 -2.751 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.734 9.046 -3.166 1.00 0.00 H new ATOM 1113 N ILE A 69 -6.848 6.079 -2.877 1.00 0.00 N ATOM 1114 CA ILE A 69 -6.379 4.782 -3.378 1.00 0.00 C ATOM 1115 C ILE A 69 -7.418 3.687 -3.094 1.00 0.00 C ATOM 1116 O ILE A 69 -7.760 2.888 -3.965 1.00 0.00 O ATOM 1117 CB ILE A 69 -4.985 4.457 -2.785 1.00 0.00 C ATOM 1118 CG1 ILE A 69 -3.934 5.375 -3.443 1.00 0.00 C ATOM 1119 CG2 ILE A 69 -4.611 2.974 -2.998 1.00 0.00 C ATOM 1120 CD1 ILE A 69 -2.609 5.456 -2.677 1.00 0.00 C ATOM 0 H ILE A 69 -6.173 6.544 -2.270 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.264 4.828 -4.461 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.012 4.634 -1.710 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.736 5.017 -4.454 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.350 6.378 -3.536 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.627 2.782 -2.570 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.350 2.339 -2.510 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.591 2.753 -4.065 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.924 6.120 -3.204 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.791 5.844 -1.675 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.168 4.462 -2.607 1.00 0.00 H new ATOM 1132 N CYS A 70 -7.899 3.594 -1.861 1.00 0.00 N ATOM 1133 CA CYS A 70 -8.881 2.581 -1.516 1.00 0.00 C ATOM 1134 C CYS A 70 -10.187 2.722 -2.303 1.00 0.00 C ATOM 1135 O CYS A 70 -10.781 1.701 -2.632 1.00 0.00 O ATOM 1136 CB CYS A 70 -9.095 2.598 -0.002 1.00 0.00 C ATOM 1137 SG CYS A 70 -7.529 2.528 0.910 1.00 0.00 S ATOM 0 H CYS A 70 -7.626 4.204 -1.090 1.00 0.00 H new ATOM 0 HA CYS A 70 -8.495 1.604 -1.807 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -9.636 3.502 0.277 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -9.719 1.752 0.285 1.00 0.00 H new ATOM 1142 N VAL A 71 -10.697 3.928 -2.556 1.00 0.00 N ATOM 1143 CA VAL A 71 -11.882 4.100 -3.406 1.00 0.00 C ATOM 1144 C VAL A 71 -11.542 3.819 -4.887 1.00 0.00 C ATOM 1145 O VAL A 71 -12.328 3.176 -5.579 1.00 0.00 O ATOM 1146 CB VAL A 71 -12.522 5.478 -3.124 1.00 0.00 C ATOM 1147 CG1 VAL A 71 -13.709 5.813 -4.042 1.00 0.00 C ATOM 1148 CG2 VAL A 71 -13.038 5.531 -1.670 1.00 0.00 C ATOM 0 H VAL A 71 -10.312 4.798 -2.188 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.645 3.362 -3.161 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.733 6.207 -3.309 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -14.104 6.795 -3.782 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -13.376 5.819 -5.080 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -14.490 5.063 -3.915 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -13.488 6.505 -1.479 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -13.785 4.751 -1.520 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -12.207 5.374 -0.983 1.00 0.00 H new ATOM 1158 N ASP A 72 -10.373 4.249 -5.358 1.00 0.00 N ATOM 1159 CA ASP A 72 -9.781 4.113 -6.696 1.00 0.00 C ATOM 1160 C ASP A 72 -9.762 2.688 -7.247 1.00 0.00 C ATOM 1161 O ASP A 72 -10.366 2.443 -8.287 1.00 0.00 O ATOM 1162 CB ASP A 72 -8.390 4.753 -6.622 1.00 0.00 C ATOM 1163 CG ASP A 72 -7.442 4.514 -7.784 1.00 0.00 C ATOM 1164 OD1 ASP A 72 -7.548 5.171 -8.840 1.00 0.00 O ATOM 1165 OD2 ASP A 72 -6.397 3.871 -7.519 1.00 0.00 O ATOM 0 H ASP A 72 -9.741 4.761 -4.742 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.410 4.627 -7.423 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.521 5.829 -6.512 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -7.904 4.396 -5.714 1.00 0.00 H new ATOM 1170 N ILE A 73 -9.130 1.728 -6.565 1.00 0.00 N ATOM 1171 CA ILE A 73 -9.161 0.309 -6.998 1.00 0.00 C ATOM 1172 C ILE A 73 -10.357 -0.456 -6.410 1.00 0.00 C ATOM 1173 O ILE A 73 -10.537 -1.647 -6.644 1.00 0.00 O ATOM 1174 CB ILE A 73 -7.806 -0.381 -6.762 1.00 0.00 C ATOM 1175 CG1 ILE A 73 -7.220 0.048 -5.406 1.00 0.00 C ATOM 1176 CG2 ILE A 73 -6.867 -0.051 -7.926 1.00 0.00 C ATOM 1177 CD1 ILE A 73 -5.973 -0.725 -5.046 1.00 0.00 C ATOM 0 H ILE A 73 -8.591 1.896 -5.715 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.321 0.296 -8.076 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.936 -1.463 -6.725 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.989 1.113 -5.434 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.970 -0.095 -4.628 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.904 -0.537 -7.766 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.303 -0.409 -8.858 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.724 1.028 -7.983 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.600 -0.384 -4.080 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.207 -1.788 -4.989 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.211 -0.562 -5.808 1.00 0.00 H new ATOM 1189 N LYS A 74 -11.159 0.266 -5.639 1.00 0.00 N ATOM 1190 CA LYS A 74 -12.416 0.002 -5.007 1.00 0.00 C ATOM 1191 C LYS A 74 -12.351 -1.188 -4.052 1.00 0.00 C ATOM 1192 O LYS A 74 -12.826 -2.296 -4.273 1.00 0.00 O ATOM 1193 CB LYS A 74 -13.556 0.096 -6.023 1.00 0.00 C ATOM 1194 CG LYS A 74 -14.812 0.226 -5.172 1.00 0.00 C ATOM 1195 CD LYS A 74 -16.069 0.810 -5.844 1.00 0.00 C ATOM 1196 CE LYS A 74 -15.889 2.196 -6.486 1.00 0.00 C ATOM 1197 NZ LYS A 74 -15.075 3.121 -5.668 1.00 0.00 N ATOM 0 H LYS A 74 -10.873 1.219 -5.414 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.675 0.789 -4.299 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.431 0.956 -6.682 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -13.596 -0.789 -6.658 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -15.064 -0.764 -4.790 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -14.571 0.848 -4.310 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -16.407 0.114 -6.612 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -16.862 0.873 -5.099 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -15.420 2.078 -7.463 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -16.870 2.640 -6.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -15.498 4.071 -5.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -15.045 2.781 -4.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -14.108 3.162 -6.049 1.00 0.00 H new ATOM 1211 N ILE A 75 -11.755 -0.844 -2.926 1.00 0.00 N ATOM 1212 CA ILE A 75 -11.403 -1.556 -1.719 1.00 0.00 C ATOM 1213 C ILE A 75 -12.127 -0.907 -0.542 1.00 0.00 C ATOM 1214 O ILE A 75 -12.334 -1.564 0.471 1.00 0.00 O ATOM 1215 CB ILE A 75 -9.869 -1.536 -1.543 1.00 0.00 C ATOM 1216 CG1 ILE A 75 -9.249 -2.454 -2.617 1.00 0.00 C ATOM 1217 CG2 ILE A 75 -9.416 -1.930 -0.121 1.00 0.00 C ATOM 1218 CD1 ILE A 75 -7.727 -2.460 -2.563 1.00 0.00 C ATOM 0 H ILE A 75 -11.454 0.126 -2.829 1.00 0.00 H new ATOM 0 HA ILE A 75 -11.712 -2.600 -1.775 1.00 0.00 H new ATOM 0 HB ILE A 75 -9.516 -0.513 -1.675 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.619 -3.470 -2.481 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.574 -2.126 -3.604 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.328 -1.896 -0.063 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -9.840 -1.233 0.602 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -9.760 -2.940 0.104 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -7.338 -3.120 -3.338 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -7.353 -1.449 -2.726 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -7.399 -2.815 -1.586 1.00 0.00 H new ATOM 1230 N CYS A 76 -12.632 0.323 -0.656 1.00 0.00 N ATOM 1231 CA CYS A 76 -13.173 0.983 0.521 1.00 0.00 C ATOM 1232 C CYS A 76 -14.608 0.533 0.806 1.00 0.00 C ATOM 1233 O CYS A 76 -14.976 0.363 1.973 1.00 0.00 O ATOM 1234 CB CYS A 76 -13.184 2.488 0.190 1.00 0.00 C ATOM 1235 SG CYS A 76 -13.780 3.633 1.461 1.00 0.00 S ATOM 0 H CYS A 76 -12.676 0.862 -1.521 1.00 0.00 H new ATOM 0 HA CYS A 76 -12.573 0.743 1.399 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -12.167 2.780 -0.072 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -13.796 2.630 -0.701 1.00 0.00 H new ATOM 1240 N LYS A 77 -15.330 0.132 -0.225 1.00 0.00 N ATOM 1241 CA LYS A 77 -16.707 -0.323 -0.185 1.00 0.00 C ATOM 1242 C LYS A 77 -17.614 0.735 0.404 1.00 0.00 C ATOM 1243 O LYS A 77 -17.856 0.764 1.614 1.00 0.00 O ATOM 1244 CB LYS A 77 -16.962 -1.759 0.309 1.00 0.00 C ATOM 1245 CG LYS A 77 -18.472 -2.095 0.445 1.00 0.00 C ATOM 1246 CD LYS A 77 -19.338 -1.863 -0.814 1.00 0.00 C ATOM 1247 CE LYS A 77 -20.848 -1.940 -0.509 1.00 0.00 C ATOM 1248 NZ LYS A 77 -21.438 -0.640 -0.100 1.00 0.00 N ATOM 0 H LYS A 77 -14.946 0.115 -1.170 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.989 -0.446 -1.231 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -16.500 -2.463 -0.383 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -16.476 -1.897 1.275 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -18.565 -3.141 0.737 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -18.884 -1.499 1.259 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -19.105 -0.886 -1.238 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -19.084 -2.607 -1.569 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -21.371 -2.305 -1.393 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -21.014 -2.670 0.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -22.422 -0.785 0.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -20.888 -0.242 0.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -21.417 0.019 -0.904 1.00 0.00 H new ATOM 1262 N GLU A 78 -17.935 1.616 -0.519 1.00 0.00 N ATOM 1263 CA GLU A 78 -18.832 2.730 -0.575 1.00 0.00 C ATOM 1264 C GLU A 78 -20.193 2.087 -0.287 1.00 0.00 C ATOM 1265 O GLU A 78 -20.854 1.657 -1.255 1.00 0.00 O ATOM 1266 CB GLU A 78 -18.712 3.280 -2.031 1.00 0.00 C ATOM 1267 CG GLU A 78 -17.328 3.664 -2.628 1.00 0.00 C ATOM 1268 CD GLU A 78 -16.225 2.592 -2.727 1.00 0.00 C ATOM 1269 OE1 GLU A 78 -16.500 1.378 -2.770 1.00 0.00 O ATOM 1270 OE2 GLU A 78 -15.046 2.963 -2.913 1.00 0.00 O ATOM 1271 OXT GLU A 78 -20.451 1.690 0.870 1.00 0.00 O ATOM 0 H GLU A 78 -17.469 1.536 -1.423 1.00 0.00 H new ATOM 0 HA GLU A 78 -18.652 3.555 0.114 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -19.149 2.532 -2.692 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -19.343 4.167 -2.091 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -17.500 4.050 -3.633 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -16.932 4.487 -2.034 1.00 0.00 H new TER 1278 GLU A 78