USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 920 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 Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -1.4! K(o=-1.4!,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 143:sc= 1.86 (180deg=0.929!) USER MOD Single : A 28 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.024) USER MOD Single : A 29 LYS NZ :NH3+ -156:sc= 1.17 (180deg=0.61) USER MOD Single : A 36 SER OG : rot 180:sc= -0.0653 USER MOD Single : A 42 ASN : amide:sc= -0.48 X(o=-0.48,f=-0.13) USER MOD Single : A 43 LYS NZ :NH3+ -110:sc= 1.85 (180deg=0.13) USER MOD Single : A 47 MET CE :methyl -138:sc= -0.126 (180deg=-0.243) USER MOD Single : A 50 CYS SG : rot 21:sc= 0.446 USER MOD Single : A 51 TYR OH : rot 159:sc= 0.642 USER MOD Single : A 52 LYS NZ :NH3+ -176:sc= 1.17 (180deg=0.859) USER MOD Single : A 54 LYS NZ :NH3+ -177:sc= 1.27 (180deg=1.19) USER MOD Single : A 57 SER OG : rot 180:sc= -0.423 USER MOD Single : A 58 SER OG : rot 170:sc= -0.169 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 159:sc= 0.0758 USER MOD Single : A 65 GLN : amide:sc= -1.89 K(o=-1.9,f=-0.1) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 ASN : amide:sc= -0.605 K(o=-0.61,f=-4.6!) USER MOD Single : B 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 75 THR OG1 : rot -70:sc= 0.284 USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 7.029 12.812 -6.487 1.00 0.00 N ATOM 19 CA ALA A 2 8.420 12.571 -6.071 1.00 0.00 C ATOM 20 C ALA A 2 8.794 11.110 -6.237 1.00 0.00 C ATOM 21 O ALA A 2 9.849 10.777 -6.781 1.00 0.00 O ATOM 22 CB ALA A 2 8.648 13.030 -4.641 1.00 0.00 C ATOM 0 HA ALA A 2 9.069 13.159 -6.721 1.00 0.00 H new ATOM 0 HB1 ALA A 2 9.684 12.840 -4.359 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.440 14.097 -4.564 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.984 12.482 -3.973 1.00 0.00 H new ATOM 28 N TYR A 3 7.948 10.259 -5.756 1.00 0.00 N ATOM 29 CA TYR A 3 8.086 8.846 -5.955 1.00 0.00 C ATOM 30 C TYR A 3 7.091 8.425 -6.997 1.00 0.00 C ATOM 31 O TYR A 3 6.018 9.027 -7.108 1.00 0.00 O ATOM 32 CB TYR A 3 7.849 8.060 -4.653 1.00 0.00 C ATOM 33 CG TYR A 3 8.954 8.169 -3.613 1.00 0.00 C ATOM 34 CD1 TYR A 3 9.112 9.310 -2.841 1.00 0.00 C ATOM 35 CD2 TYR A 3 9.826 7.112 -3.395 1.00 0.00 C ATOM 36 CE1 TYR A 3 10.105 9.400 -1.893 1.00 0.00 C ATOM 37 CE2 TYR A 3 10.827 7.193 -2.449 1.00 0.00 C ATOM 38 CZ TYR A 3 10.959 8.341 -1.699 1.00 0.00 C ATOM 39 OH TYR A 3 11.951 8.433 -0.751 1.00 0.00 O ATOM 0 H TYR A 3 7.131 10.524 -5.207 1.00 0.00 H new ATOM 0 HA TYR A 3 9.104 8.629 -6.279 1.00 0.00 H new ATOM 0 HB2 TYR A 3 6.917 8.405 -4.205 1.00 0.00 H new ATOM 0 HB3 TYR A 3 7.712 7.008 -4.904 1.00 0.00 H new ATOM 0 HD1 TYR A 3 8.442 10.145 -2.987 1.00 0.00 H new ATOM 0 HD2 TYR A 3 9.719 6.209 -3.977 1.00 0.00 H new ATOM 0 HE1 TYR A 3 10.213 10.299 -1.304 1.00 0.00 H new ATOM 0 HE2 TYR A 3 11.502 6.363 -2.298 1.00 0.00 H new ATOM 0 HH TYR A 3 12.468 7.601 -0.737 1.00 0.00 H new ATOM 49 N PHE A 4 7.449 7.450 -7.787 1.00 0.00 N ATOM 50 CA PHE A 4 6.532 6.920 -8.779 1.00 0.00 C ATOM 51 C PHE A 4 5.576 5.964 -8.081 1.00 0.00 C ATOM 52 O PHE A 4 5.826 5.568 -6.932 1.00 0.00 O ATOM 53 CB PHE A 4 7.293 6.197 -9.894 1.00 0.00 C ATOM 54 CG PHE A 4 8.390 7.025 -10.500 1.00 0.00 C ATOM 55 CD1 PHE A 4 8.110 8.242 -11.096 1.00 0.00 C ATOM 56 CD2 PHE A 4 9.703 6.600 -10.443 1.00 0.00 C ATOM 57 CE1 PHE A 4 9.123 9.012 -11.629 1.00 0.00 C ATOM 58 CE2 PHE A 4 10.718 7.365 -10.968 1.00 0.00 C ATOM 59 CZ PHE A 4 10.429 8.571 -11.562 1.00 0.00 C ATOM 0 H PHE A 4 8.365 7.002 -7.769 1.00 0.00 H new ATOM 0 HA PHE A 4 5.976 7.737 -9.239 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.720 5.277 -9.495 1.00 0.00 H new ATOM 0 HB3 PHE A 4 6.590 5.909 -10.676 1.00 0.00 H new ATOM 0 HD1 PHE A 4 7.089 8.592 -11.144 1.00 0.00 H new ATOM 0 HD2 PHE A 4 9.936 5.653 -9.979 1.00 0.00 H new ATOM 0 HE1 PHE A 4 8.895 9.958 -12.098 1.00 0.00 H new ATOM 0 HE2 PHE A 4 11.740 7.019 -10.914 1.00 0.00 H new ATOM 0 HZ PHE A 4 11.224 9.173 -11.976 1.00 0.00 H new ATOM 69 N LEU A 5 4.506 5.575 -8.729 1.00 0.00 N ATOM 70 CA LEU A 5 3.557 4.713 -8.094 1.00 0.00 C ATOM 71 C LEU A 5 3.457 3.385 -8.838 1.00 0.00 C ATOM 72 O LEU A 5 3.446 3.352 -10.072 1.00 0.00 O ATOM 73 CB LEU A 5 2.204 5.426 -8.027 1.00 0.00 C ATOM 74 CG LEU A 5 1.051 4.682 -7.384 1.00 0.00 C ATOM 75 CD1 LEU A 5 1.363 4.318 -5.934 1.00 0.00 C ATOM 76 CD2 LEU A 5 -0.182 5.533 -7.457 1.00 0.00 C ATOM 0 H LEU A 5 4.277 5.842 -9.687 1.00 0.00 H new ATOM 0 HA LEU A 5 3.884 4.487 -7.079 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.344 6.362 -7.486 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.911 5.687 -9.044 1.00 0.00 H new ATOM 0 HG LEU A 5 0.888 3.750 -7.925 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.516 3.785 -5.502 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.247 3.681 -5.901 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.549 5.227 -5.363 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.017 5.005 -6.996 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.009 6.470 -6.928 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.417 5.744 -8.500 1.00 0.00 H new ATOM 88 N ASP A 6 3.429 2.307 -8.094 1.00 0.00 N ATOM 89 CA ASP A 6 3.284 0.959 -8.663 1.00 0.00 C ATOM 90 C ASP A 6 2.293 0.179 -7.875 1.00 0.00 C ATOM 91 O ASP A 6 2.133 0.396 -6.674 1.00 0.00 O ATOM 92 CB ASP A 6 4.594 0.128 -8.686 1.00 0.00 C ATOM 93 CG ASP A 6 5.568 0.444 -9.798 1.00 0.00 C ATOM 94 OD1 ASP A 6 5.164 0.923 -10.862 1.00 0.00 O ATOM 95 OD2 ASP A 6 6.783 0.153 -9.643 1.00 0.00 O ATOM 0 H ASP A 6 3.505 2.322 -7.077 1.00 0.00 H new ATOM 0 HA ASP A 6 2.968 1.123 -9.693 1.00 0.00 H new ATOM 0 HB2 ASP A 6 5.105 0.268 -7.733 1.00 0.00 H new ATOM 0 HB3 ASP A 6 4.329 -0.927 -8.753 1.00 0.00 H new ATOM 100 N PHE A 7 1.626 -0.709 -8.530 1.00 0.00 N ATOM 101 CA PHE A 7 0.716 -1.625 -7.888 1.00 0.00 C ATOM 102 C PHE A 7 0.917 -2.995 -8.433 1.00 0.00 C ATOM 103 O PHE A 7 1.218 -3.161 -9.621 1.00 0.00 O ATOM 104 CB PHE A 7 -0.754 -1.231 -8.084 1.00 0.00 C ATOM 105 CG PHE A 7 -1.263 -0.156 -7.172 1.00 0.00 C ATOM 106 CD1 PHE A 7 -1.077 1.170 -7.469 1.00 0.00 C ATOM 107 CD2 PHE A 7 -1.960 -0.485 -6.025 1.00 0.00 C ATOM 108 CE1 PHE A 7 -1.569 2.154 -6.647 1.00 0.00 C ATOM 109 CE2 PHE A 7 -2.455 0.501 -5.193 1.00 0.00 C ATOM 110 CZ PHE A 7 -2.258 1.822 -5.507 1.00 0.00 C ATOM 0 H PHE A 7 1.691 -0.829 -9.541 1.00 0.00 H new ATOM 0 HA PHE A 7 0.934 -1.592 -6.821 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -0.889 -0.903 -9.115 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -1.371 -2.119 -7.949 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -0.536 1.444 -8.362 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -2.120 -1.524 -5.776 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -1.413 3.193 -6.898 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -2.996 0.232 -4.298 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.643 2.597 -4.861 1.00 0.00 H new ATOM 120 N ASP A 8 0.821 -3.958 -7.567 1.00 0.00 N ATOM 121 CA ASP A 8 0.804 -5.351 -7.945 1.00 0.00 C ATOM 122 C ASP A 8 -0.486 -5.628 -8.711 1.00 0.00 C ATOM 123 O ASP A 8 -1.521 -4.990 -8.441 1.00 0.00 O ATOM 124 CB ASP A 8 0.903 -6.220 -6.679 1.00 0.00 C ATOM 125 CG ASP A 8 0.344 -7.600 -6.863 1.00 0.00 C ATOM 126 OD1 ASP A 8 0.998 -8.456 -7.469 1.00 0.00 O ATOM 127 OD2 ASP A 8 -0.789 -7.825 -6.412 1.00 0.00 O ATOM 0 H ASP A 8 0.751 -3.803 -6.561 1.00 0.00 H new ATOM 0 HA ASP A 8 1.652 -5.592 -8.587 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.948 -6.296 -6.379 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.373 -5.726 -5.865 1.00 0.00 H new ATOM 132 N GLU A 9 -0.438 -6.533 -9.672 1.00 0.00 N ATOM 133 CA GLU A 9 -1.605 -6.820 -10.487 1.00 0.00 C ATOM 134 C GLU A 9 -2.797 -7.358 -9.710 1.00 0.00 C ATOM 135 O GLU A 9 -3.940 -7.222 -10.162 1.00 0.00 O ATOM 136 CB GLU A 9 -1.299 -7.697 -11.670 1.00 0.00 C ATOM 137 CG GLU A 9 -0.432 -7.036 -12.706 1.00 0.00 C ATOM 138 CD GLU A 9 -0.415 -7.817 -13.970 1.00 0.00 C ATOM 139 OE1 GLU A 9 -1.412 -7.748 -14.736 1.00 0.00 O ATOM 140 OE2 GLU A 9 0.566 -8.543 -14.238 1.00 0.00 O ATOM 0 H GLU A 9 0.391 -7.079 -9.906 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.901 -5.841 -10.865 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -0.805 -8.604 -11.321 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -2.236 -8.004 -12.135 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.799 -6.029 -12.903 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.584 -6.936 -12.324 1.00 0.00 H new ATOM 147 N ARG A 10 -2.566 -7.969 -8.575 1.00 0.00 N ATOM 148 CA ARG A 10 -3.658 -8.397 -7.749 1.00 0.00 C ATOM 149 C ARG A 10 -4.186 -7.230 -6.973 1.00 0.00 C ATOM 150 O ARG A 10 -5.383 -7.035 -6.916 1.00 0.00 O ATOM 151 CB ARG A 10 -3.296 -9.552 -6.824 1.00 0.00 C ATOM 152 CG ARG A 10 -3.426 -10.928 -7.431 1.00 0.00 C ATOM 153 CD ARG A 10 -4.867 -11.208 -7.848 1.00 0.00 C ATOM 154 NE ARG A 10 -5.842 -10.925 -6.768 1.00 0.00 N ATOM 155 CZ ARG A 10 -6.948 -11.636 -6.534 1.00 0.00 C ATOM 156 NH1 ARG A 10 -7.192 -12.758 -7.213 1.00 0.00 N ATOM 157 NH2 ARG A 10 -7.805 -11.224 -5.621 1.00 0.00 N ATOM 0 H ARG A 10 -1.638 -8.178 -8.207 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.435 -8.781 -8.410 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.268 -9.417 -6.486 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.932 -9.501 -5.940 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.770 -11.010 -8.298 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.099 -11.679 -6.712 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.112 -10.603 -8.721 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.957 -12.252 -8.149 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.654 -10.129 -6.159 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.531 -13.081 -7.919 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -8.040 -13.293 -7.026 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.621 -10.367 -5.099 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -8.652 -11.762 -5.437 1.00 0.00 H new ATOM 171 N ALA A 11 -3.273 -6.415 -6.433 1.00 0.00 N ATOM 172 CA ALA A 11 -3.617 -5.194 -5.683 1.00 0.00 C ATOM 173 C ALA A 11 -4.566 -4.294 -6.492 1.00 0.00 C ATOM 174 O ALA A 11 -5.449 -3.640 -5.928 1.00 0.00 O ATOM 175 CB ALA A 11 -2.357 -4.429 -5.306 1.00 0.00 C ATOM 0 H ALA A 11 -2.269 -6.581 -6.502 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.132 -5.495 -4.771 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.629 -3.530 -4.753 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.721 -5.059 -4.684 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.817 -4.149 -6.211 1.00 0.00 H new ATOM 181 N LEU A 12 -4.377 -4.289 -7.811 1.00 0.00 N ATOM 182 CA LEU A 12 -5.250 -3.569 -8.743 1.00 0.00 C ATOM 183 C LEU A 12 -6.705 -4.023 -8.578 1.00 0.00 C ATOM 184 O LEU A 12 -7.612 -3.216 -8.390 1.00 0.00 O ATOM 185 CB LEU A 12 -4.812 -3.838 -10.198 1.00 0.00 C ATOM 186 CG LEU A 12 -3.398 -3.412 -10.621 1.00 0.00 C ATOM 187 CD1 LEU A 12 -3.140 -3.840 -12.048 1.00 0.00 C ATOM 188 CD2 LEU A 12 -3.222 -1.920 -10.515 1.00 0.00 C ATOM 0 H LEU A 12 -3.612 -4.786 -8.267 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.173 -2.504 -8.522 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.906 -4.908 -10.382 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.522 -3.338 -10.857 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.688 -3.895 -9.950 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.136 -3.536 -12.343 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.228 -4.924 -12.124 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.870 -3.370 -12.707 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.211 -1.650 -10.821 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.943 -1.422 -11.163 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.384 -1.607 -9.484 1.00 0.00 H new ATOM 200 N LYS A 13 -6.893 -5.325 -8.576 1.00 0.00 N ATOM 201 CA LYS A 13 -8.225 -5.935 -8.554 1.00 0.00 C ATOM 202 C LYS A 13 -8.821 -5.795 -7.167 1.00 0.00 C ATOM 203 O LYS A 13 -10.044 -5.659 -7.001 1.00 0.00 O ATOM 204 CB LYS A 13 -8.114 -7.423 -8.919 1.00 0.00 C ATOM 205 CG LYS A 13 -7.174 -7.697 -10.085 1.00 0.00 C ATOM 206 CD LYS A 13 -7.591 -6.979 -11.354 1.00 0.00 C ATOM 207 CE LYS A 13 -6.474 -7.024 -12.373 1.00 0.00 C ATOM 208 NZ LYS A 13 -6.870 -6.438 -13.662 1.00 0.00 N ATOM 0 H LYS A 13 -6.130 -6.002 -8.590 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.867 -5.433 -9.277 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.768 -7.978 -8.047 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.105 -7.803 -9.166 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.165 -7.389 -9.813 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.139 -8.770 -10.274 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.487 -7.444 -11.765 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.845 -5.943 -11.128 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.608 -6.488 -11.984 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.166 -8.058 -12.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.072 -6.492 -14.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.679 -6.964 -14.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.139 -5.443 -13.523 1.00 0.00 H new ATOM 222 N GLU A 14 -7.940 -5.800 -6.197 1.00 0.00 N ATOM 223 CA GLU A 14 -8.260 -5.673 -4.806 1.00 0.00 C ATOM 224 C GLU A 14 -9.027 -4.390 -4.511 1.00 0.00 C ATOM 225 O GLU A 14 -10.014 -4.424 -3.771 1.00 0.00 O ATOM 226 CB GLU A 14 -6.983 -5.741 -3.961 1.00 0.00 C ATOM 227 CG GLU A 14 -6.696 -7.097 -3.285 1.00 0.00 C ATOM 228 CD GLU A 14 -6.563 -8.273 -4.226 1.00 0.00 C ATOM 229 OE1 GLU A 14 -7.593 -8.793 -4.680 1.00 0.00 O ATOM 230 OE2 GLU A 14 -5.431 -8.733 -4.468 1.00 0.00 O ATOM 0 H GLU A 14 -6.939 -5.897 -6.368 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.910 -6.507 -4.541 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.135 -5.487 -4.597 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.041 -4.976 -3.187 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.776 -7.009 -2.708 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.497 -7.308 -2.577 1.00 0.00 H new ATOM 237 N TRP A 15 -8.616 -3.259 -5.101 1.00 0.00 N ATOM 238 CA TRP A 15 -9.325 -2.024 -4.812 1.00 0.00 C ATOM 239 C TRP A 15 -10.625 -1.945 -5.587 1.00 0.00 C ATOM 240 O TRP A 15 -11.608 -1.361 -5.125 1.00 0.00 O ATOM 241 CB TRP A 15 -8.473 -0.732 -5.013 1.00 0.00 C ATOM 242 CG TRP A 15 -8.266 -0.211 -6.433 1.00 0.00 C ATOM 243 CD1 TRP A 15 -9.213 0.318 -7.277 1.00 0.00 C ATOM 244 CD2 TRP A 15 -7.027 -0.083 -7.128 1.00 0.00 C ATOM 245 NE1 TRP A 15 -8.636 0.742 -8.433 1.00 0.00 N ATOM 246 CE2 TRP A 15 -7.305 0.510 -8.375 1.00 0.00 C ATOM 247 CE3 TRP A 15 -5.716 -0.417 -6.830 1.00 0.00 C ATOM 248 CZ2 TRP A 15 -6.323 0.776 -9.305 1.00 0.00 C ATOM 249 CZ3 TRP A 15 -4.746 -0.148 -7.767 1.00 0.00 C ATOM 250 CH2 TRP A 15 -5.056 0.442 -8.984 1.00 0.00 C ATOM 0 H TRP A 15 -7.833 -3.180 -5.750 1.00 0.00 H new ATOM 0 HA TRP A 15 -9.549 -2.062 -3.746 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -8.937 0.065 -4.432 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -7.489 -0.912 -4.579 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -10.267 0.387 -7.053 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -9.129 1.167 -9.219 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -5.462 -0.877 -5.886 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.559 1.234 -10.254 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -3.719 -0.402 -7.551 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -4.264 0.639 -9.691 1.00 0.00 H new ATOM 261 N ARG A 16 -10.641 -2.572 -6.752 1.00 0.00 N ATOM 262 CA ARG A 16 -11.792 -2.508 -7.647 1.00 0.00 C ATOM 263 C ARG A 16 -13.029 -3.134 -7.015 1.00 0.00 C ATOM 264 O ARG A 16 -14.148 -2.695 -7.249 1.00 0.00 O ATOM 265 CB ARG A 16 -11.505 -3.217 -8.971 1.00 0.00 C ATOM 266 CG ARG A 16 -10.308 -2.708 -9.742 1.00 0.00 C ATOM 267 CD ARG A 16 -10.422 -1.254 -10.123 1.00 0.00 C ATOM 268 NE ARG A 16 -11.603 -0.947 -10.945 1.00 0.00 N ATOM 269 CZ ARG A 16 -11.711 0.126 -11.744 1.00 0.00 C ATOM 270 NH1 ARG A 16 -10.645 0.865 -12.016 1.00 0.00 N ATOM 271 NH2 ARG A 16 -12.863 0.411 -12.315 1.00 0.00 N ATOM 0 H ARG A 16 -9.867 -3.135 -7.104 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.981 -1.451 -7.834 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -11.360 -4.278 -8.769 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -12.386 -3.131 -9.606 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.410 -2.850 -9.141 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -10.185 -3.305 -10.646 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -10.456 -0.652 -9.215 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -9.525 -0.959 -10.668 1.00 0.00 H new ATOM 0 HE ARG A 16 -12.392 -1.592 -10.905 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -9.739 0.619 -11.618 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -10.731 1.680 -12.624 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -13.675 -0.184 -12.150 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -12.943 1.227 -12.922 1.00 0.00 H new ATOM 285 N LYS A 17 -12.823 -4.141 -6.197 1.00 0.00 N ATOM 286 CA LYS A 17 -13.933 -4.853 -5.599 1.00 0.00 C ATOM 287 C LYS A 17 -14.384 -4.253 -4.264 1.00 0.00 C ATOM 288 O LYS A 17 -15.428 -4.631 -3.740 1.00 0.00 O ATOM 289 CB LYS A 17 -13.632 -6.372 -5.513 1.00 0.00 C ATOM 290 CG LYS A 17 -12.352 -6.761 -4.751 1.00 0.00 C ATOM 291 CD LYS A 17 -12.530 -6.852 -3.231 1.00 0.00 C ATOM 292 CE LYS A 17 -13.418 -8.036 -2.844 1.00 0.00 C ATOM 293 NZ LYS A 17 -13.454 -8.260 -1.385 1.00 0.00 N ATOM 0 H LYS A 17 -11.901 -4.486 -5.930 1.00 0.00 H new ATOM 0 HA LYS A 17 -14.790 -4.730 -6.261 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -14.480 -6.864 -5.036 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -13.563 -6.767 -6.527 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.999 -7.723 -5.123 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -11.575 -6.030 -4.972 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.555 -6.955 -2.754 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.971 -5.927 -2.859 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -14.431 -7.861 -3.207 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -13.054 -8.937 -3.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -14.068 -9.072 -1.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.492 -8.454 -1.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.827 -7.412 -0.913 1.00 0.00 H new ATOM 307 N LEU A 18 -13.630 -3.299 -3.736 1.00 0.00 N ATOM 308 CA LEU A 18 -13.989 -2.721 -2.449 1.00 0.00 C ATOM 309 C LEU A 18 -14.824 -1.438 -2.559 1.00 0.00 C ATOM 310 O LEU A 18 -15.782 -1.248 -1.791 1.00 0.00 O ATOM 311 CB LEU A 18 -12.781 -2.622 -1.471 1.00 0.00 C ATOM 312 CG LEU A 18 -11.511 -1.889 -1.943 1.00 0.00 C ATOM 313 CD1 LEU A 18 -11.675 -0.387 -1.958 1.00 0.00 C ATOM 314 CD2 LEU A 18 -10.321 -2.282 -1.102 1.00 0.00 C ATOM 0 H LEU A 18 -12.787 -2.917 -4.165 1.00 0.00 H new ATOM 0 HA LEU A 18 -14.668 -3.435 -1.983 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -13.129 -2.130 -0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -12.495 -3.637 -1.194 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.337 -2.200 -2.973 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.749 0.077 -2.299 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -12.486 -0.116 -2.634 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.908 -0.036 -0.953 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.436 -1.752 -1.454 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.510 -2.022 -0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.157 -3.356 -1.184 1.00 0.00 H new ATOM 326 N GLY A 19 -14.499 -0.579 -3.507 1.00 0.00 N ATOM 327 CA GLY A 19 -15.277 0.630 -3.682 1.00 0.00 C ATOM 328 C GLY A 19 -14.438 1.835 -4.053 1.00 0.00 C ATOM 329 O GLY A 19 -13.243 1.903 -3.732 1.00 0.00 O ATOM 0 H GLY A 19 -13.719 -0.692 -4.154 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -16.024 0.464 -4.458 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -15.817 0.843 -2.760 1.00 0.00 H new ATOM 333 N SER A 20 -15.067 2.795 -4.691 1.00 0.00 N ATOM 334 CA SER A 20 -14.393 3.968 -5.178 1.00 0.00 C ATOM 335 C SER A 20 -14.038 4.961 -4.055 1.00 0.00 C ATOM 336 O SER A 20 -12.939 5.470 -4.022 1.00 0.00 O ATOM 337 CB SER A 20 -15.237 4.623 -6.268 1.00 0.00 C ATOM 338 OG SER A 20 -15.538 3.671 -7.290 1.00 0.00 O ATOM 0 H SER A 20 -16.068 2.780 -4.886 1.00 0.00 H new ATOM 0 HA SER A 20 -13.439 3.657 -5.604 1.00 0.00 H new ATOM 0 HB2 SER A 20 -16.160 5.013 -5.840 1.00 0.00 H new ATOM 0 HB3 SER A 20 -14.701 5.470 -6.695 1.00 0.00 H new ATOM 0 HG SER A 20 -16.081 4.098 -7.985 1.00 0.00 H new ATOM 344 N THR A 21 -14.937 5.186 -3.114 1.00 0.00 N ATOM 345 CA THR A 21 -14.679 6.141 -2.040 1.00 0.00 C ATOM 346 C THR A 21 -13.539 5.649 -1.141 1.00 0.00 C ATOM 347 O THR A 21 -12.680 6.434 -0.714 1.00 0.00 O ATOM 348 CB THR A 21 -15.959 6.414 -1.217 1.00 0.00 C ATOM 349 OG1 THR A 21 -16.975 6.929 -2.103 1.00 0.00 O ATOM 350 CG2 THR A 21 -15.711 7.425 -0.100 1.00 0.00 C ATOM 0 H THR A 21 -15.847 4.727 -3.067 1.00 0.00 H new ATOM 0 HA THR A 21 -14.371 7.084 -2.492 1.00 0.00 H new ATOM 0 HB THR A 21 -16.277 5.479 -0.757 1.00 0.00 H new ATOM 0 HG1 THR A 21 -17.794 7.105 -1.594 1.00 0.00 H new ATOM 0 HG21 THR A 21 -16.635 7.589 0.454 1.00 0.00 H new ATOM 0 HG22 THR A 21 -14.946 7.041 0.575 1.00 0.00 H new ATOM 0 HG23 THR A 21 -15.374 8.368 -0.531 1.00 0.00 H new ATOM 358 N VAL A 22 -13.507 4.355 -0.900 1.00 0.00 N ATOM 359 CA VAL A 22 -12.451 3.770 -0.106 1.00 0.00 C ATOM 360 C VAL A 22 -11.096 3.927 -0.812 1.00 0.00 C ATOM 361 O VAL A 22 -10.112 4.349 -0.191 1.00 0.00 O ATOM 362 CB VAL A 22 -12.725 2.281 0.232 1.00 0.00 C ATOM 363 CG1 VAL A 22 -11.589 1.703 1.053 1.00 0.00 C ATOM 364 CG2 VAL A 22 -14.037 2.139 0.986 1.00 0.00 C ATOM 0 H VAL A 22 -14.200 3.690 -1.243 1.00 0.00 H new ATOM 0 HA VAL A 22 -12.421 4.311 0.840 1.00 0.00 H new ATOM 0 HB VAL A 22 -12.797 1.727 -0.704 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.799 0.658 1.280 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -10.660 1.771 0.487 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.490 2.264 1.983 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -14.213 1.088 1.215 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -13.987 2.709 1.914 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -14.853 2.518 0.371 1.00 0.00 H new ATOM 374 N ARG A 23 -11.073 3.677 -2.125 1.00 0.00 N ATOM 375 CA ARG A 23 -9.833 3.761 -2.883 1.00 0.00 C ATOM 376 C ARG A 23 -9.340 5.219 -2.944 1.00 0.00 C ATOM 377 O ARG A 23 -8.157 5.467 -2.916 1.00 0.00 O ATOM 378 CB ARG A 23 -9.981 3.190 -4.322 1.00 0.00 C ATOM 379 CG ARG A 23 -10.503 4.190 -5.343 1.00 0.00 C ATOM 380 CD ARG A 23 -10.662 3.609 -6.716 1.00 0.00 C ATOM 381 NE ARG A 23 -10.813 4.675 -7.712 1.00 0.00 N ATOM 382 CZ ARG A 23 -11.262 4.506 -8.959 1.00 0.00 C ATOM 383 NH1 ARG A 23 -11.889 3.391 -9.302 1.00 0.00 N ATOM 384 NH2 ARG A 23 -11.137 5.476 -9.843 1.00 0.00 N ATOM 0 H ARG A 23 -11.892 3.418 -2.675 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.097 3.149 -2.362 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.011 2.821 -4.655 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -10.655 2.334 -4.293 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -11.465 4.574 -5.005 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -9.820 5.038 -5.392 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.795 2.996 -6.960 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.533 2.954 -6.741 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.555 5.621 -7.430 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -12.032 2.654 -8.612 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -12.229 3.270 -10.256 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.697 6.356 -9.575 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.480 5.346 -10.795 1.00 0.00 H new ATOM 398 N GLU A 24 -10.269 6.173 -2.995 1.00 0.00 N ATOM 399 CA GLU A 24 -9.922 7.582 -3.095 1.00 0.00 C ATOM 400 C GLU A 24 -9.311 8.097 -1.807 1.00 0.00 C ATOM 401 O GLU A 24 -8.447 8.970 -1.832 1.00 0.00 O ATOM 402 CB GLU A 24 -11.120 8.427 -3.509 1.00 0.00 C ATOM 403 CG GLU A 24 -11.653 8.116 -4.909 1.00 0.00 C ATOM 404 CD GLU A 24 -10.623 8.310 -6.003 1.00 0.00 C ATOM 405 OE1 GLU A 24 -10.010 9.400 -6.088 1.00 0.00 O ATOM 406 OE2 GLU A 24 -10.407 7.383 -6.820 1.00 0.00 O ATOM 0 H GLU A 24 -11.272 5.990 -2.968 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.169 7.672 -3.878 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.922 8.279 -2.786 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -10.841 9.480 -3.464 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -12.008 7.086 -4.934 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.513 8.755 -5.112 1.00 0.00 H new ATOM 413 N GLN A 25 -9.748 7.551 -0.686 1.00 0.00 N ATOM 414 CA GLN A 25 -9.165 7.896 0.601 1.00 0.00 C ATOM 415 C GLN A 25 -7.717 7.423 0.639 1.00 0.00 C ATOM 416 O GLN A 25 -6.817 8.151 1.076 1.00 0.00 O ATOM 417 CB GLN A 25 -9.972 7.284 1.748 1.00 0.00 C ATOM 418 CG GLN A 25 -11.385 7.825 1.862 1.00 0.00 C ATOM 419 CD GLN A 25 -12.187 7.157 2.962 1.00 0.00 C ATOM 420 OE1 GLN A 25 -12.186 7.591 4.114 1.00 0.00 O ATOM 421 NE2 GLN A 25 -12.876 6.113 2.617 1.00 0.00 N ATOM 0 H GLN A 25 -10.504 6.868 -0.639 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.190 8.978 0.727 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.017 6.203 1.612 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -9.447 7.465 2.686 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.344 8.898 2.050 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.899 7.688 0.911 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.852 5.782 1.652 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.441 5.623 3.310 1.00 0.00 H new ATOM 430 N LEU A 26 -7.497 6.228 0.118 1.00 0.00 N ATOM 431 CA LEU A 26 -6.168 5.652 0.028 1.00 0.00 C ATOM 432 C LEU A 26 -5.278 6.503 -0.874 1.00 0.00 C ATOM 433 O LEU A 26 -4.145 6.769 -0.545 1.00 0.00 O ATOM 434 CB LEU A 26 -6.239 4.217 -0.497 1.00 0.00 C ATOM 435 CG LEU A 26 -6.995 3.218 0.382 1.00 0.00 C ATOM 436 CD1 LEU A 26 -7.101 1.881 -0.310 1.00 0.00 C ATOM 437 CD2 LEU A 26 -6.302 3.057 1.726 1.00 0.00 C ATOM 0 H LEU A 26 -8.235 5.631 -0.254 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.734 5.633 1.027 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.709 4.234 -1.480 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.222 3.851 -0.636 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.000 3.605 0.552 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.641 1.182 0.329 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.637 2.000 -1.252 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.102 1.493 -0.508 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.854 2.343 2.337 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.287 2.693 1.570 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.268 4.020 2.235 1.00 0.00 H new ATOM 449 N LYS A 27 -5.843 6.985 -1.965 1.00 0.00 N ATOM 450 CA LYS A 27 -5.130 7.793 -2.947 1.00 0.00 C ATOM 451 C LYS A 27 -4.672 9.130 -2.383 1.00 0.00 C ATOM 452 O LYS A 27 -3.736 9.739 -2.897 1.00 0.00 O ATOM 453 CB LYS A 27 -5.991 8.001 -4.189 1.00 0.00 C ATOM 454 CG LYS A 27 -6.176 6.741 -5.028 1.00 0.00 C ATOM 455 CD LYS A 27 -7.238 6.924 -6.105 1.00 0.00 C ATOM 456 CE LYS A 27 -6.950 8.113 -7.005 1.00 0.00 C ATOM 457 NZ LYS A 27 -8.019 8.322 -7.987 1.00 0.00 N ATOM 0 H LYS A 27 -6.823 6.826 -2.201 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.231 7.242 -3.222 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.970 8.370 -3.883 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.538 8.775 -4.808 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.228 6.474 -5.495 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.457 5.911 -4.379 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.298 6.019 -6.710 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.212 7.056 -5.633 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.834 9.010 -6.397 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.005 7.956 -7.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.164 9.342 -8.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.752 7.880 -8.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.900 7.893 -7.638 1.00 0.00 H new ATOM 471 N LYS A 28 -5.315 9.586 -1.335 1.00 0.00 N ATOM 472 CA LYS A 28 -4.914 10.829 -0.714 1.00 0.00 C ATOM 473 C LYS A 28 -3.700 10.609 0.156 1.00 0.00 C ATOM 474 O LYS A 28 -2.731 11.375 0.119 1.00 0.00 O ATOM 475 CB LYS A 28 -6.048 11.463 0.093 1.00 0.00 C ATOM 476 CG LYS A 28 -7.288 11.799 -0.728 1.00 0.00 C ATOM 477 CD LYS A 28 -6.959 12.659 -1.954 1.00 0.00 C ATOM 478 CE LYS A 28 -6.279 13.990 -1.592 1.00 0.00 C ATOM 479 NZ LYS A 28 -7.112 14.827 -0.706 1.00 0.00 N ATOM 0 H LYS A 28 -6.110 9.122 -0.897 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.660 11.527 -1.512 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.331 10.783 0.896 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.679 12.375 0.563 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.767 10.875 -1.053 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.005 12.326 -0.099 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.308 12.095 -2.622 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.878 12.865 -2.503 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.326 13.787 -1.104 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.058 14.542 -2.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.632 15.733 -0.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.032 15.003 -1.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.260 14.335 0.198 1.00 0.00 H new ATOM 493 N LYS A 29 -3.704 9.540 0.893 1.00 0.00 N ATOM 494 CA LYS A 29 -2.576 9.262 1.737 1.00 0.00 C ATOM 495 C LYS A 29 -1.410 8.715 0.934 1.00 0.00 C ATOM 496 O LYS A 29 -0.283 8.672 1.387 1.00 0.00 O ATOM 497 CB LYS A 29 -2.964 8.419 2.929 1.00 0.00 C ATOM 498 CG LYS A 29 -3.568 7.055 2.650 1.00 0.00 C ATOM 499 CD LYS A 29 -4.423 6.612 3.842 1.00 0.00 C ATOM 500 CE LYS A 29 -3.676 6.727 5.166 1.00 0.00 C ATOM 501 NZ LYS A 29 -4.554 6.489 6.336 1.00 0.00 N ATOM 0 H LYS A 29 -4.459 8.856 0.930 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.221 10.201 2.162 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.076 8.275 3.544 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.677 8.988 3.527 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.178 7.095 1.748 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.777 6.327 2.468 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.327 7.220 3.884 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.740 5.579 3.695 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.855 6.010 5.180 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.233 7.720 5.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.150 6.955 7.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.500 6.878 6.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.629 5.467 6.511 1.00 0.00 H new ATOM 515 N LEU A 30 -1.708 8.331 -0.268 1.00 0.00 N ATOM 516 CA LEU A 30 -0.702 7.953 -1.224 1.00 0.00 C ATOM 517 C LEU A 30 -0.035 9.182 -1.832 1.00 0.00 C ATOM 518 O LEU A 30 1.131 9.147 -2.132 1.00 0.00 O ATOM 519 CB LEU A 30 -1.245 7.053 -2.336 1.00 0.00 C ATOM 520 CG LEU A 30 -1.672 5.637 -1.941 1.00 0.00 C ATOM 521 CD1 LEU A 30 -2.221 4.898 -3.150 1.00 0.00 C ATOM 522 CD2 LEU A 30 -0.505 4.865 -1.340 1.00 0.00 C ATOM 0 H LEU A 30 -2.663 8.269 -0.621 1.00 0.00 H new ATOM 0 HA LEU A 30 0.039 7.376 -0.671 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.103 7.552 -2.786 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.481 6.973 -3.109 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.455 5.715 -1.187 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.521 3.892 -2.856 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.085 5.434 -3.543 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.451 4.837 -3.919 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.834 3.862 -1.068 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.301 4.797 -2.071 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.145 5.383 -0.451 1.00 0.00 H new ATOM 534 N VAL A 31 -0.756 10.295 -1.977 1.00 0.00 N ATOM 535 CA VAL A 31 -0.129 11.481 -2.587 1.00 0.00 C ATOM 536 C VAL A 31 0.886 12.100 -1.623 1.00 0.00 C ATOM 537 O VAL A 31 1.849 12.750 -2.031 1.00 0.00 O ATOM 538 CB VAL A 31 -1.155 12.556 -3.119 1.00 0.00 C ATOM 539 CG1 VAL A 31 -1.861 13.312 -2.009 1.00 0.00 C ATOM 540 CG2 VAL A 31 -0.492 13.518 -4.101 1.00 0.00 C ATOM 0 H VAL A 31 -1.730 10.406 -1.697 1.00 0.00 H new ATOM 0 HA VAL A 31 0.391 11.127 -3.478 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.927 11.998 -3.649 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.552 14.035 -2.443 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.415 12.610 -1.386 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.124 13.835 -1.399 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.225 14.246 -4.449 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.327 14.038 -3.604 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.104 12.959 -4.952 1.00 0.00 H new ATOM 550 N GLU A 32 0.709 11.836 -0.341 1.00 0.00 N ATOM 551 CA GLU A 32 1.643 12.330 0.638 1.00 0.00 C ATOM 552 C GLU A 32 2.726 11.300 0.866 1.00 0.00 C ATOM 553 O GLU A 32 3.852 11.630 1.230 1.00 0.00 O ATOM 554 CB GLU A 32 0.928 12.707 1.932 1.00 0.00 C ATOM 555 CG GLU A 32 0.010 11.630 2.452 1.00 0.00 C ATOM 556 CD GLU A 32 -0.713 12.022 3.699 1.00 0.00 C ATOM 557 OE1 GLU A 32 -1.438 13.036 3.684 1.00 0.00 O ATOM 558 OE2 GLU A 32 -0.572 11.334 4.724 1.00 0.00 O ATOM 0 H GLU A 32 -0.064 11.289 0.037 1.00 0.00 H new ATOM 0 HA GLU A 32 2.112 13.240 0.264 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.672 12.937 2.694 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.350 13.616 1.766 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.719 11.380 1.681 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.592 10.729 2.645 1.00 0.00 H new ATOM 565 N VAL A 33 2.404 10.052 0.570 1.00 0.00 N ATOM 566 CA VAL A 33 3.335 8.970 0.757 1.00 0.00 C ATOM 567 C VAL A 33 4.402 9.032 -0.335 1.00 0.00 C ATOM 568 O VAL A 33 5.564 8.785 -0.098 1.00 0.00 O ATOM 569 CB VAL A 33 2.609 7.584 0.783 1.00 0.00 C ATOM 570 CG1 VAL A 33 2.581 6.855 -0.556 1.00 0.00 C ATOM 571 CG2 VAL A 33 3.170 6.725 1.844 1.00 0.00 C ATOM 0 H VAL A 33 1.497 9.770 0.197 1.00 0.00 H new ATOM 0 HA VAL A 33 3.818 9.080 1.728 1.00 0.00 H new ATOM 0 HB VAL A 33 1.565 7.805 1.005 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.058 5.905 -0.442 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.063 7.468 -1.293 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.602 6.670 -0.891 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.653 5.766 1.847 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.232 6.564 1.658 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.040 7.210 2.811 1.00 0.00 H new ATOM 581 N LEU A 34 3.987 9.485 -1.508 1.00 0.00 N ATOM 582 CA LEU A 34 4.864 9.642 -2.665 1.00 0.00 C ATOM 583 C LEU A 34 5.806 10.810 -2.463 1.00 0.00 C ATOM 584 O LEU A 34 6.653 11.082 -3.297 1.00 0.00 O ATOM 585 CB LEU A 34 4.051 9.841 -3.952 1.00 0.00 C ATOM 586 CG LEU A 34 3.150 8.676 -4.383 1.00 0.00 C ATOM 587 CD1 LEU A 34 2.299 9.083 -5.565 1.00 0.00 C ATOM 588 CD2 LEU A 34 3.977 7.467 -4.752 1.00 0.00 C ATOM 0 H LEU A 34 3.021 9.758 -1.689 1.00 0.00 H new ATOM 0 HA LEU A 34 5.449 8.728 -2.766 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.427 10.726 -3.827 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.746 10.053 -4.765 1.00 0.00 H new ATOM 0 HG LEU A 34 2.505 8.419 -3.543 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.664 8.248 -5.861 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.675 9.933 -5.289 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.944 9.362 -6.398 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.317 6.654 -5.054 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.643 7.720 -5.577 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.568 7.154 -3.891 1.00 0.00 H new ATOM 600 N GLU A 35 5.610 11.518 -1.382 1.00 0.00 N ATOM 601 CA GLU A 35 6.421 12.639 -1.040 1.00 0.00 C ATOM 602 C GLU A 35 7.284 12.319 0.194 1.00 0.00 C ATOM 603 O GLU A 35 8.443 12.741 0.283 1.00 0.00 O ATOM 604 CB GLU A 35 5.513 13.847 -0.829 1.00 0.00 C ATOM 605 CG GLU A 35 6.202 15.138 -0.456 1.00 0.00 C ATOM 606 CD GLU A 35 5.238 16.285 -0.490 1.00 0.00 C ATOM 607 OE1 GLU A 35 4.263 16.289 0.289 1.00 0.00 O ATOM 608 OE2 GLU A 35 5.411 17.200 -1.325 1.00 0.00 O ATOM 0 H GLU A 35 4.869 11.323 -0.709 1.00 0.00 H new ATOM 0 HA GLU A 35 7.116 12.873 -1.846 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.945 14.013 -1.744 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.794 13.603 -0.047 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.634 15.050 0.541 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.025 15.328 -1.145 1.00 0.00 H new ATOM 615 N SER A 36 6.731 11.549 1.124 1.00 0.00 N ATOM 616 CA SER A 36 7.426 11.154 2.358 1.00 0.00 C ATOM 617 C SER A 36 6.803 9.848 2.932 1.00 0.00 C ATOM 618 O SER A 36 5.882 9.894 3.749 1.00 0.00 O ATOM 619 CB SER A 36 7.365 12.291 3.407 1.00 0.00 C ATOM 620 OG SER A 36 7.948 13.500 2.901 1.00 0.00 O ATOM 0 H SER A 36 5.785 11.176 1.049 1.00 0.00 H new ATOM 0 HA SER A 36 8.473 10.966 2.120 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.328 12.475 3.687 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.890 11.983 4.311 1.00 0.00 H new ATOM 0 HG SER A 36 7.894 14.200 3.584 1.00 0.00 H new ATOM 626 N PRO A 37 7.280 8.677 2.468 1.00 0.00 N ATOM 627 CA PRO A 37 6.707 7.365 2.841 1.00 0.00 C ATOM 628 C PRO A 37 7.293 6.716 4.107 1.00 0.00 C ATOM 629 O PRO A 37 6.777 5.703 4.594 1.00 0.00 O ATOM 630 CB PRO A 37 7.052 6.517 1.625 1.00 0.00 C ATOM 631 CG PRO A 37 8.363 7.062 1.158 1.00 0.00 C ATOM 632 CD PRO A 37 8.367 8.532 1.479 1.00 0.00 C ATOM 0 HA PRO A 37 5.649 7.463 3.084 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.129 5.461 1.885 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.288 6.600 0.852 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.190 6.556 1.656 1.00 0.00 H new ATOM 0 HG3 PRO A 37 8.489 6.901 0.087 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.326 8.850 1.888 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.183 9.136 0.591 1.00 0.00 H new ATOM 640 N ARG A 38 8.331 7.273 4.658 1.00 0.00 N ATOM 641 CA ARG A 38 8.948 6.635 5.790 1.00 0.00 C ATOM 642 C ARG A 38 8.412 7.087 7.138 1.00 0.00 C ATOM 643 O ARG A 38 8.950 8.005 7.780 1.00 0.00 O ATOM 644 CB ARG A 38 10.473 6.628 5.724 1.00 0.00 C ATOM 645 CG ARG A 38 11.011 5.598 4.751 1.00 0.00 C ATOM 646 CD ARG A 38 12.522 5.596 4.703 1.00 0.00 C ATOM 647 NE ARG A 38 13.029 4.421 3.995 1.00 0.00 N ATOM 648 CZ ARG A 38 14.003 4.419 3.084 1.00 0.00 C ATOM 649 NH1 ARG A 38 14.519 5.561 2.641 1.00 0.00 N ATOM 650 NH2 ARG A 38 14.436 3.264 2.604 1.00 0.00 N ATOM 0 H ARG A 38 8.762 8.146 4.354 1.00 0.00 H new ATOM 0 HA ARG A 38 8.640 5.592 5.709 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.825 7.617 5.431 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.875 6.428 6.717 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.657 4.608 5.039 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.617 5.800 3.755 1.00 0.00 H new ATOM 0 HD2 ARG A 38 12.874 6.501 4.208 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.920 5.612 5.717 1.00 0.00 H new ATOM 0 HE ARG A 38 12.599 3.523 4.218 1.00 0.00 H new ATOM 0 HH11 ARG A 38 14.170 6.451 2.998 1.00 0.00 H new ATOM 0 HH12 ARG A 38 15.264 5.548 1.944 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.025 2.390 2.931 1.00 0.00 H new ATOM 0 HH22 ARG A 38 15.180 3.248 1.907 1.00 0.00 H new ATOM 664 N ILE A 39 7.323 6.460 7.543 1.00 0.00 N ATOM 665 CA ILE A 39 6.735 6.675 8.842 1.00 0.00 C ATOM 666 C ILE A 39 6.843 5.351 9.576 1.00 0.00 C ATOM 667 O ILE A 39 6.059 4.429 9.307 1.00 0.00 O ATOM 668 CB ILE A 39 5.208 7.089 8.812 1.00 0.00 C ATOM 669 CG1 ILE A 39 4.914 8.315 7.922 1.00 0.00 C ATOM 670 CG2 ILE A 39 4.698 7.358 10.222 1.00 0.00 C ATOM 671 CD1 ILE A 39 4.833 8.019 6.437 1.00 0.00 C ATOM 0 H ILE A 39 6.821 5.782 6.970 1.00 0.00 H new ATOM 0 HA ILE A 39 7.264 7.502 9.317 1.00 0.00 H new ATOM 0 HB ILE A 39 4.683 6.241 8.372 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.972 8.760 8.241 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.691 9.061 8.087 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.646 7.641 10.181 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.808 6.458 10.827 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.275 8.168 10.669 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.623 8.940 5.893 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.782 7.605 6.096 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.036 7.299 6.252 1.00 0.00 H new ATOM 683 N GLU A 40 7.774 5.239 10.508 1.00 0.00 N ATOM 684 CA GLU A 40 8.035 3.953 11.153 1.00 0.00 C ATOM 685 C GLU A 40 6.937 3.571 12.137 1.00 0.00 C ATOM 686 O GLU A 40 6.954 2.491 12.716 1.00 0.00 O ATOM 687 CB GLU A 40 9.386 3.897 11.835 1.00 0.00 C ATOM 688 CG GLU A 40 9.516 4.770 13.052 1.00 0.00 C ATOM 689 CD GLU A 40 10.722 4.390 13.838 1.00 0.00 C ATOM 690 OE1 GLU A 40 10.681 3.335 14.517 1.00 0.00 O ATOM 691 OE2 GLU A 40 11.742 5.103 13.776 1.00 0.00 O ATOM 0 H GLU A 40 8.358 6.009 10.835 1.00 0.00 H new ATOM 0 HA GLU A 40 8.044 3.222 10.344 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.590 2.865 12.122 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.152 4.185 11.115 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.585 5.816 12.752 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.625 4.675 13.673 1.00 0.00 H new ATOM 698 N ALA A 41 5.988 4.447 12.313 1.00 0.00 N ATOM 699 CA ALA A 41 4.841 4.166 13.146 1.00 0.00 C ATOM 700 C ALA A 41 3.885 3.220 12.410 1.00 0.00 C ATOM 701 O ALA A 41 2.933 2.701 12.994 1.00 0.00 O ATOM 702 CB ALA A 41 4.130 5.454 13.535 1.00 0.00 C ATOM 0 H ALA A 41 5.983 5.374 11.887 1.00 0.00 H new ATOM 0 HA ALA A 41 5.181 3.682 14.061 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.270 5.220 14.162 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.817 6.096 14.086 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.794 5.970 12.636 1.00 0.00 H new ATOM 708 N ASN A 42 4.146 3.008 11.116 1.00 0.00 N ATOM 709 CA ASN A 42 3.327 2.111 10.304 1.00 0.00 C ATOM 710 C ASN A 42 4.161 0.978 9.741 1.00 0.00 C ATOM 711 O ASN A 42 3.679 0.224 8.900 1.00 0.00 O ATOM 712 CB ASN A 42 2.654 2.844 9.128 1.00 0.00 C ATOM 713 CG ASN A 42 1.736 3.968 9.538 1.00 0.00 C ATOM 714 OD1 ASN A 42 0.560 3.756 9.860 1.00 0.00 O ATOM 715 ND2 ASN A 42 2.237 5.168 9.488 1.00 0.00 N ATOM 0 H ASN A 42 4.917 3.446 10.612 1.00 0.00 H new ATOM 0 HA ASN A 42 2.555 1.719 10.967 1.00 0.00 H new ATOM 0 HB2 ASN A 42 3.429 3.244 8.474 1.00 0.00 H new ATOM 0 HB3 ASN A 42 2.085 2.121 8.543 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.655 5.974 9.719 1.00 0.00 H new ATOM 0 HD22 ASN A 42 3.211 5.303 9.218 1.00 0.00 H new ATOM 722 N LYS A 43 5.406 0.843 10.205 1.00 0.00 N ATOM 723 CA LYS A 43 6.306 -0.196 9.677 1.00 0.00 C ATOM 724 C LYS A 43 5.799 -1.591 10.007 1.00 0.00 C ATOM 725 O LYS A 43 5.012 -1.773 10.945 1.00 0.00 O ATOM 726 CB LYS A 43 7.761 -0.007 10.142 1.00 0.00 C ATOM 727 CG LYS A 43 7.991 -0.146 11.632 1.00 0.00 C ATOM 728 CD LYS A 43 9.459 0.044 11.974 1.00 0.00 C ATOM 729 CE LYS A 43 9.698 0.009 13.475 1.00 0.00 C ATOM 730 NZ LYS A 43 9.047 1.126 14.194 1.00 0.00 N ATOM 0 H LYS A 43 5.813 1.429 10.934 1.00 0.00 H new ATOM 0 HA LYS A 43 6.305 -0.086 8.593 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.387 -0.735 9.626 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.098 0.981 9.830 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.391 0.590 12.167 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.660 -1.130 11.965 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.048 -0.737 11.494 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.805 0.996 11.573 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.328 -0.936 13.873 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.771 0.038 13.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.773 1.783 14.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.407 1.629 13.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.503 0.752 14.997 1.00 0.00 H new ATOM 744 N LEU A 44 6.235 -2.553 9.245 1.00 0.00 N ATOM 745 CA LEU A 44 5.768 -3.895 9.381 1.00 0.00 C ATOM 746 C LEU A 44 6.710 -4.714 10.276 1.00 0.00 C ATOM 747 O LEU A 44 7.936 -4.568 10.217 1.00 0.00 O ATOM 748 CB LEU A 44 5.609 -4.526 7.991 1.00 0.00 C ATOM 749 CG LEU A 44 4.688 -5.741 7.894 1.00 0.00 C ATOM 750 CD1 LEU A 44 3.280 -5.367 8.307 1.00 0.00 C ATOM 751 CD2 LEU A 44 4.673 -6.295 6.482 1.00 0.00 C ATOM 0 H LEU A 44 6.929 -2.423 8.509 1.00 0.00 H new ATOM 0 HA LEU A 44 4.793 -3.890 9.868 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.237 -3.761 7.310 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.597 -4.818 7.634 1.00 0.00 H new ATOM 0 HG LEU A 44 5.070 -6.508 8.568 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.635 -6.242 8.233 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.286 -5.007 9.336 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.904 -4.583 7.650 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.011 -7.159 6.437 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.316 -5.528 5.794 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.682 -6.596 6.198 1.00 0.00 H new ATOM 763 N ARG A 45 6.098 -5.566 11.080 1.00 0.00 N ATOM 764 CA ARG A 45 6.733 -6.427 12.108 1.00 0.00 C ATOM 765 C ARG A 45 7.954 -7.211 11.609 1.00 0.00 C ATOM 766 O ARG A 45 8.939 -7.360 12.348 1.00 0.00 O ATOM 767 CB ARG A 45 5.652 -7.371 12.623 1.00 0.00 C ATOM 768 CG ARG A 45 5.977 -8.319 13.765 1.00 0.00 C ATOM 769 CD ARG A 45 4.677 -9.017 14.174 1.00 0.00 C ATOM 770 NE ARG A 45 4.800 -9.956 15.290 1.00 0.00 N ATOM 771 CZ ARG A 45 3.778 -10.709 15.751 1.00 0.00 C ATOM 772 NH1 ARG A 45 2.555 -10.573 15.223 1.00 0.00 N ATOM 773 NH2 ARG A 45 3.972 -11.560 16.738 1.00 0.00 N ATOM 0 H ARG A 45 5.087 -5.696 11.045 1.00 0.00 H new ATOM 0 HA ARG A 45 7.129 -5.789 12.898 1.00 0.00 H new ATOM 0 HB2 ARG A 45 4.805 -6.760 12.935 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.316 -7.976 11.781 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.723 -9.051 13.454 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.399 -7.772 14.608 1.00 0.00 H new ATOM 0 HD2 ARG A 45 3.942 -8.256 14.439 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.284 -9.553 13.310 1.00 0.00 H new ATOM 0 HE ARG A 45 5.708 -10.047 15.745 1.00 0.00 H new ATOM 0 HH11 ARG A 45 2.395 -9.901 14.473 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.783 -11.142 15.571 1.00 0.00 H new ATOM 0 HH21 ARG A 45 4.897 -11.652 17.157 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.197 -12.126 17.083 1.00 0.00 H new ATOM 787 N GLY A 46 7.896 -7.709 10.385 1.00 0.00 N ATOM 788 CA GLY A 46 9.008 -8.491 9.877 1.00 0.00 C ATOM 789 C GLY A 46 9.524 -8.026 8.536 1.00 0.00 C ATOM 790 O GLY A 46 10.375 -8.684 7.934 1.00 0.00 O ATOM 0 H GLY A 46 7.114 -7.590 9.741 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.823 -8.457 10.600 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.698 -9.533 9.794 1.00 0.00 H new ATOM 794 N MET A 47 9.017 -6.922 8.047 1.00 0.00 N ATOM 795 CA MET A 47 9.469 -6.403 6.757 1.00 0.00 C ATOM 796 C MET A 47 9.890 -4.943 6.847 1.00 0.00 C ATOM 797 O MET A 47 9.048 -4.060 7.052 1.00 0.00 O ATOM 798 CB MET A 47 8.404 -6.566 5.673 1.00 0.00 C ATOM 799 CG MET A 47 8.086 -8.002 5.303 1.00 0.00 C ATOM 800 SD MET A 47 9.495 -8.867 4.587 1.00 0.00 S ATOM 801 CE MET A 47 8.773 -10.472 4.272 1.00 0.00 C ATOM 0 H MET A 47 8.299 -6.363 8.507 1.00 0.00 H new ATOM 0 HA MET A 47 10.340 -6.997 6.480 1.00 0.00 H new ATOM 0 HB2 MET A 47 7.487 -6.081 6.008 1.00 0.00 H new ATOM 0 HB3 MET A 47 8.734 -6.040 4.777 1.00 0.00 H new ATOM 0 HG2 MET A 47 7.751 -8.536 6.192 1.00 0.00 H new ATOM 0 HG3 MET A 47 7.259 -8.015 4.593 1.00 0.00 H new ATOM 0 HE1 MET A 47 9.482 -11.251 4.551 1.00 0.00 H new ATOM 0 HE2 MET A 47 7.862 -10.583 4.860 1.00 0.00 H new ATOM 0 HE3 MET A 47 8.534 -10.562 3.212 1.00 0.00 H new ATOM 811 N PRO A 48 11.198 -4.669 6.722 1.00 0.00 N ATOM 812 CA PRO A 48 11.722 -3.302 6.705 1.00 0.00 C ATOM 813 C PRO A 48 11.242 -2.544 5.464 1.00 0.00 C ATOM 814 O PRO A 48 11.178 -3.112 4.366 1.00 0.00 O ATOM 815 CB PRO A 48 13.250 -3.484 6.649 1.00 0.00 C ATOM 816 CG PRO A 48 13.488 -4.900 7.048 1.00 0.00 C ATOM 817 CD PRO A 48 12.279 -5.664 6.601 1.00 0.00 C ATOM 0 HA PRO A 48 11.390 -2.726 7.569 1.00 0.00 H new ATOM 0 HB2 PRO A 48 13.634 -3.287 5.648 1.00 0.00 H new ATOM 0 HB3 PRO A 48 13.754 -2.794 7.326 1.00 0.00 H new ATOM 0 HG2 PRO A 48 14.391 -5.291 6.580 1.00 0.00 H new ATOM 0 HG3 PRO A 48 13.626 -4.984 8.126 1.00 0.00 H new ATOM 0 HD2 PRO A 48 12.384 -6.024 5.578 1.00 0.00 H new ATOM 0 HD3 PRO A 48 12.097 -6.536 7.229 1.00 0.00 H new ATOM 825 N ASP A 49 10.858 -1.290 5.665 1.00 0.00 N ATOM 826 CA ASP A 49 10.356 -0.387 4.603 1.00 0.00 C ATOM 827 C ASP A 49 9.036 -0.826 4.002 1.00 0.00 C ATOM 828 O ASP A 49 8.582 -0.291 2.981 1.00 0.00 O ATOM 829 CB ASP A 49 11.393 -0.015 3.522 1.00 0.00 C ATOM 830 CG ASP A 49 12.386 1.025 3.998 1.00 0.00 C ATOM 831 OD1 ASP A 49 11.975 2.021 4.657 1.00 0.00 O ATOM 832 OD2 ASP A 49 13.597 0.911 3.699 1.00 0.00 O ATOM 0 H ASP A 49 10.882 -0.850 6.585 1.00 0.00 H new ATOM 0 HA ASP A 49 10.159 0.541 5.139 1.00 0.00 H new ATOM 0 HB2 ASP A 49 11.931 -0.912 3.217 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.874 0.361 2.640 1.00 0.00 H new ATOM 837 N CYS A 50 8.403 -1.759 4.644 1.00 0.00 N ATOM 838 CA CYS A 50 7.086 -2.134 4.292 1.00 0.00 C ATOM 839 C CYS A 50 6.197 -1.483 5.316 1.00 0.00 C ATOM 840 O CYS A 50 6.451 -1.590 6.511 1.00 0.00 O ATOM 841 CB CYS A 50 6.922 -3.651 4.291 1.00 0.00 C ATOM 842 SG CYS A 50 5.333 -4.226 3.645 1.00 0.00 S ATOM 0 H CYS A 50 8.795 -2.279 5.429 1.00 0.00 H new ATOM 0 HA CYS A 50 6.833 -1.812 3.282 1.00 0.00 H new ATOM 0 HB2 CYS A 50 7.723 -4.091 3.697 1.00 0.00 H new ATOM 0 HB3 CYS A 50 7.041 -4.019 5.310 1.00 0.00 H new ATOM 0 HG CYS A 50 4.800 -3.294 2.912 1.00 0.00 H new ATOM 848 N TYR A 51 5.218 -0.762 4.869 1.00 0.00 N ATOM 849 CA TYR A 51 4.369 -0.030 5.762 1.00 0.00 C ATOM 850 C TYR A 51 2.935 -0.330 5.448 1.00 0.00 C ATOM 851 O TYR A 51 2.562 -0.470 4.276 1.00 0.00 O ATOM 852 CB TYR A 51 4.624 1.492 5.638 1.00 0.00 C ATOM 853 CG TYR A 51 6.057 1.894 5.903 1.00 0.00 C ATOM 854 CD1 TYR A 51 6.500 2.133 7.183 1.00 0.00 C ATOM 855 CD2 TYR A 51 6.975 1.996 4.870 1.00 0.00 C ATOM 856 CE1 TYR A 51 7.815 2.449 7.434 1.00 0.00 C ATOM 857 CE2 TYR A 51 8.289 2.324 5.119 1.00 0.00 C ATOM 858 CZ TYR A 51 8.701 2.546 6.399 1.00 0.00 C ATOM 859 OH TYR A 51 10.023 2.808 6.660 1.00 0.00 O ATOM 0 H TYR A 51 4.983 -0.663 3.881 1.00 0.00 H new ATOM 0 HA TYR A 51 4.593 -0.335 6.784 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.345 1.817 4.636 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.974 2.018 6.337 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.803 2.071 8.006 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.655 1.816 3.854 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.146 2.620 8.448 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.991 2.405 4.302 1.00 0.00 H new ATOM 0 HH TYR A 51 10.570 2.524 5.898 1.00 0.00 H new ATOM 869 N LYS A 52 2.146 -0.471 6.466 1.00 0.00 N ATOM 870 CA LYS A 52 0.748 -0.653 6.287 1.00 0.00 C ATOM 871 C LYS A 52 0.049 0.499 6.956 1.00 0.00 C ATOM 872 O LYS A 52 0.343 0.828 8.106 1.00 0.00 O ATOM 873 CB LYS A 52 0.230 -2.018 6.826 1.00 0.00 C ATOM 874 CG LYS A 52 0.021 -2.152 8.346 1.00 0.00 C ATOM 875 CD LYS A 52 1.299 -2.146 9.165 1.00 0.00 C ATOM 876 CE LYS A 52 0.943 -2.192 10.637 1.00 0.00 C ATOM 877 NZ LYS A 52 2.118 -2.284 11.524 1.00 0.00 N ATOM 0 H LYS A 52 2.455 -0.463 7.438 1.00 0.00 H new ATOM 0 HA LYS A 52 0.531 -0.672 5.219 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.719 -2.234 6.336 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.933 -2.791 6.514 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.615 -1.335 8.685 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.517 -3.079 8.545 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.919 -3.003 8.901 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.882 -1.251 8.947 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.374 -1.299 10.893 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.293 -3.048 10.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.802 -2.380 12.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.688 -3.113 11.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.694 -1.424 11.427 1.00 0.00 H new ATOM 891 N ILE A 53 -0.814 1.147 6.257 1.00 0.00 N ATOM 892 CA ILE A 53 -1.519 2.247 6.839 1.00 0.00 C ATOM 893 C ILE A 53 -2.999 1.976 6.689 1.00 0.00 C ATOM 894 O ILE A 53 -3.454 1.595 5.601 1.00 0.00 O ATOM 895 CB ILE A 53 -1.164 3.609 6.164 1.00 0.00 C ATOM 896 CG1 ILE A 53 0.359 3.742 5.944 1.00 0.00 C ATOM 897 CG2 ILE A 53 -1.632 4.744 7.071 1.00 0.00 C ATOM 898 CD1 ILE A 53 0.775 5.004 5.199 1.00 0.00 C ATOM 0 H ILE A 53 -1.052 0.941 5.287 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.230 2.332 7.887 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.660 3.656 5.194 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.858 3.725 6.913 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.712 2.873 5.389 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.390 5.702 6.610 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.710 4.673 7.215 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.131 4.669 8.036 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.859 5.020 5.087 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.308 5.016 4.214 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.456 5.881 5.762 1.00 0.00 H new ATOM 910 N LYS A 54 -3.736 2.113 7.760 1.00 0.00 N ATOM 911 CA LYS A 54 -5.162 1.876 7.712 1.00 0.00 C ATOM 912 C LYS A 54 -5.912 3.184 7.543 1.00 0.00 C ATOM 913 O LYS A 54 -5.325 4.260 7.642 1.00 0.00 O ATOM 914 CB LYS A 54 -5.692 1.113 8.955 1.00 0.00 C ATOM 915 CG LYS A 54 -5.187 -0.329 9.105 1.00 0.00 C ATOM 916 CD LYS A 54 -3.860 -0.460 9.833 1.00 0.00 C ATOM 917 CE LYS A 54 -4.006 -0.168 11.321 1.00 0.00 C ATOM 918 NZ LYS A 54 -2.813 -0.606 12.081 1.00 0.00 N ATOM 0 H LYS A 54 -3.378 2.386 8.675 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.341 1.237 6.847 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.416 1.672 9.849 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.781 1.096 8.913 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.939 -0.910 9.639 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.088 -0.771 8.113 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.467 -1.467 9.696 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.135 0.227 9.396 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.161 0.901 11.469 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.891 -0.675 11.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.967 -0.439 13.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.651 -1.620 11.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.982 -0.067 11.764 1.00 0.00 H new ATOM 932 N LEU A 55 -7.170 3.088 7.228 1.00 0.00 N ATOM 933 CA LEU A 55 -8.043 4.223 7.128 1.00 0.00 C ATOM 934 C LEU A 55 -8.873 4.288 8.379 1.00 0.00 C ATOM 935 O LEU A 55 -9.794 3.482 8.552 1.00 0.00 O ATOM 936 CB LEU A 55 -8.980 4.111 5.915 1.00 0.00 C ATOM 937 CG LEU A 55 -8.354 4.179 4.533 1.00 0.00 C ATOM 938 CD1 LEU A 55 -9.409 3.903 3.474 1.00 0.00 C ATOM 939 CD2 LEU A 55 -7.746 5.546 4.305 1.00 0.00 C ATOM 0 H LEU A 55 -7.629 2.199 7.029 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.437 5.121 7.004 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.519 3.167 5.993 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.720 4.908 5.988 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.570 3.425 4.463 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.954 3.953 2.485 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.830 2.910 3.630 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.201 4.648 3.547 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.300 5.585 3.311 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.522 6.307 4.384 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.978 5.732 5.055 1.00 0.00 H new ATOM 951 N ARG A 56 -8.553 5.243 9.233 1.00 0.00 N ATOM 952 CA ARG A 56 -9.233 5.426 10.527 1.00 0.00 C ATOM 953 C ARG A 56 -10.747 5.596 10.365 1.00 0.00 C ATOM 954 O ARG A 56 -11.515 5.194 11.222 1.00 0.00 O ATOM 955 CB ARG A 56 -8.658 6.644 11.270 1.00 0.00 C ATOM 956 CG ARG A 56 -8.821 7.945 10.502 1.00 0.00 C ATOM 957 CD ARG A 56 -8.325 9.136 11.276 1.00 0.00 C ATOM 958 NE ARG A 56 -8.495 10.359 10.492 1.00 0.00 N ATOM 959 CZ ARG A 56 -8.547 11.596 10.972 1.00 0.00 C ATOM 960 NH1 ARG A 56 -8.496 11.817 12.281 1.00 0.00 N ATOM 961 NH2 ARG A 56 -8.665 12.608 10.131 1.00 0.00 N ATOM 0 H ARG A 56 -7.813 5.923 9.059 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.056 4.522 11.109 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.150 6.737 12.238 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.599 6.475 11.466 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.279 7.877 9.559 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.873 8.088 10.255 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.870 9.220 12.216 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.273 9.001 11.529 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.582 10.252 9.481 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.416 11.032 12.928 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.537 12.771 12.639 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.715 12.434 9.127 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.706 13.564 10.485 1.00 0.00 H new ATOM 975 N SER A 57 -11.157 6.151 9.256 1.00 0.00 N ATOM 976 CA SER A 57 -12.551 6.424 9.015 1.00 0.00 C ATOM 977 C SER A 57 -13.137 5.442 7.977 1.00 0.00 C ATOM 978 O SER A 57 -14.098 5.754 7.296 1.00 0.00 O ATOM 979 CB SER A 57 -12.668 7.871 8.526 1.00 0.00 C ATOM 980 OG SER A 57 -11.970 8.761 9.416 1.00 0.00 O ATOM 0 H SER A 57 -10.537 6.427 8.495 1.00 0.00 H new ATOM 0 HA SER A 57 -13.122 6.291 9.934 1.00 0.00 H new ATOM 0 HB2 SER A 57 -12.256 7.956 7.520 1.00 0.00 H new ATOM 0 HB3 SER A 57 -13.718 8.157 8.466 1.00 0.00 H new ATOM 0 HG SER A 57 -12.052 9.681 9.089 1.00 0.00 H new ATOM 986 N SER A 58 -12.570 4.246 7.882 1.00 0.00 N ATOM 987 CA SER A 58 -13.073 3.273 6.932 1.00 0.00 C ATOM 988 C SER A 58 -12.842 1.829 7.421 1.00 0.00 C ATOM 989 O SER A 58 -13.796 1.040 7.523 1.00 0.00 O ATOM 990 CB SER A 58 -12.462 3.516 5.541 1.00 0.00 C ATOM 991 OG SER A 58 -12.982 2.634 4.572 1.00 0.00 O ATOM 0 H SER A 58 -11.776 3.934 8.442 1.00 0.00 H new ATOM 0 HA SER A 58 -14.152 3.403 6.850 1.00 0.00 H new ATOM 0 HB2 SER A 58 -12.655 4.544 5.235 1.00 0.00 H new ATOM 0 HB3 SER A 58 -11.380 3.397 5.595 1.00 0.00 H new ATOM 0 HG SER A 58 -12.695 2.921 3.680 1.00 0.00 H new ATOM 997 N GLY A 59 -11.608 1.490 7.752 1.00 0.00 N ATOM 998 CA GLY A 59 -11.308 0.143 8.206 1.00 0.00 C ATOM 999 C GLY A 59 -10.440 -0.611 7.228 1.00 0.00 C ATOM 1000 O GLY A 59 -9.766 -1.572 7.591 1.00 0.00 O ATOM 0 H GLY A 59 -10.806 2.120 7.716 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.806 0.191 9.172 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.239 -0.403 8.358 1.00 0.00 H new ATOM 1004 N TYR A 60 -10.459 -0.179 5.988 1.00 0.00 N ATOM 1005 CA TYR A 60 -9.634 -0.786 4.959 1.00 0.00 C ATOM 1006 C TYR A 60 -8.221 -0.277 5.087 1.00 0.00 C ATOM 1007 O TYR A 60 -7.995 0.763 5.686 1.00 0.00 O ATOM 1008 CB TYR A 60 -10.183 -0.487 3.568 1.00 0.00 C ATOM 1009 CG TYR A 60 -11.530 -1.125 3.279 1.00 0.00 C ATOM 1010 CD1 TYR A 60 -12.718 -0.517 3.669 1.00 0.00 C ATOM 1011 CD2 TYR A 60 -11.608 -2.337 2.612 1.00 0.00 C ATOM 1012 CE1 TYR A 60 -13.940 -1.101 3.403 1.00 0.00 C ATOM 1013 CE2 TYR A 60 -12.825 -2.926 2.343 1.00 0.00 C ATOM 1014 CZ TYR A 60 -13.987 -2.307 2.737 1.00 0.00 C ATOM 1015 OH TYR A 60 -15.200 -2.908 2.484 1.00 0.00 O ATOM 0 H TYR A 60 -11.039 0.594 5.662 1.00 0.00 H new ATOM 0 HA TYR A 60 -9.644 -1.868 5.094 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -10.272 0.593 3.450 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -9.464 -0.831 2.824 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -12.684 0.429 4.189 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -10.699 -2.829 2.297 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -14.853 -0.616 3.715 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -12.865 -3.872 1.824 1.00 0.00 H new ATOM 0 HH TYR A 60 -15.054 -3.751 2.006 1.00 0.00 H new ATOM 1025 N ARG A 61 -7.280 -0.987 4.540 1.00 0.00 N ATOM 1026 CA ARG A 61 -5.898 -0.604 4.662 1.00 0.00 C ATOM 1027 C ARG A 61 -5.206 -0.710 3.319 1.00 0.00 C ATOM 1028 O ARG A 61 -5.785 -1.191 2.344 1.00 0.00 O ATOM 1029 CB ARG A 61 -5.175 -1.513 5.672 1.00 0.00 C ATOM 1030 CG ARG A 61 -4.908 -2.923 5.159 1.00 0.00 C ATOM 1031 CD ARG A 61 -4.226 -3.788 6.181 1.00 0.00 C ATOM 1032 NE ARG A 61 -5.075 -4.047 7.346 1.00 0.00 N ATOM 1033 CZ ARG A 61 -4.676 -4.060 8.614 1.00 0.00 C ATOM 1034 NH1 ARG A 61 -3.428 -3.709 8.931 1.00 0.00 N ATOM 1035 NH2 ARG A 61 -5.531 -4.415 9.557 1.00 0.00 N ATOM 0 H ARG A 61 -7.441 -1.839 4.002 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.861 0.427 5.013 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.226 -1.052 5.946 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.773 -1.576 6.581 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.851 -3.385 4.868 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.290 -2.869 4.263 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.944 -4.736 5.722 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.305 -3.305 6.506 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.062 -4.234 7.168 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.775 -3.429 8.199 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.127 -3.721 9.905 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.485 -4.675 9.308 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.237 -4.429 10.533 1.00 0.00 H new ATOM 1049 N LEU A 62 -3.998 -0.253 3.276 1.00 0.00 N ATOM 1050 CA LEU A 62 -3.162 -0.402 2.134 1.00 0.00 C ATOM 1051 C LEU A 62 -1.782 -0.766 2.636 1.00 0.00 C ATOM 1052 O LEU A 62 -1.305 -0.202 3.628 1.00 0.00 O ATOM 1053 CB LEU A 62 -3.198 0.875 1.268 1.00 0.00 C ATOM 1054 CG LEU A 62 -2.369 0.893 -0.027 1.00 0.00 C ATOM 1055 CD1 LEU A 62 -2.954 1.900 -0.991 1.00 0.00 C ATOM 1056 CD2 LEU A 62 -0.919 1.273 0.259 1.00 0.00 C ATOM 0 H LEU A 62 -3.557 0.244 4.050 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.509 -1.198 1.475 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.237 1.069 1.002 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.867 1.708 1.888 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.396 -0.107 -0.461 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.365 1.911 -1.908 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.983 1.625 -1.224 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.937 2.891 -0.537 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.354 1.279 -0.673 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.885 2.265 0.710 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.481 0.547 0.945 1.00 0.00 H new ATOM 1068 N VAL A 63 -1.187 -1.743 2.013 1.00 0.00 N ATOM 1069 CA VAL A 63 0.095 -2.270 2.421 1.00 0.00 C ATOM 1070 C VAL A 63 1.046 -2.149 1.256 1.00 0.00 C ATOM 1071 O VAL A 63 0.750 -2.649 0.174 1.00 0.00 O ATOM 1072 CB VAL A 63 -0.035 -3.769 2.809 1.00 0.00 C ATOM 1073 CG1 VAL A 63 1.252 -4.314 3.416 1.00 0.00 C ATOM 1074 CG2 VAL A 63 -1.221 -3.989 3.733 1.00 0.00 C ATOM 0 H VAL A 63 -1.581 -2.207 1.194 1.00 0.00 H new ATOM 0 HA VAL A 63 0.460 -1.713 3.284 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.214 -4.329 1.891 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.117 -5.365 3.673 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.064 -4.218 2.695 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.498 -3.750 4.316 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.291 -5.046 3.990 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.088 -3.402 4.642 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -2.137 -3.677 3.231 1.00 0.00 H new ATOM 1084 N TYR A 64 2.160 -1.496 1.459 1.00 0.00 N ATOM 1085 CA TYR A 64 3.111 -1.273 0.393 1.00 0.00 C ATOM 1086 C TYR A 64 4.522 -1.460 0.917 1.00 0.00 C ATOM 1087 O TYR A 64 4.719 -1.665 2.112 1.00 0.00 O ATOM 1088 CB TYR A 64 2.952 0.156 -0.180 1.00 0.00 C ATOM 1089 CG TYR A 64 3.342 1.270 0.782 1.00 0.00 C ATOM 1090 CD1 TYR A 64 2.455 1.734 1.743 1.00 0.00 C ATOM 1091 CD2 TYR A 64 4.606 1.851 0.724 1.00 0.00 C ATOM 1092 CE1 TYR A 64 2.816 2.737 2.614 1.00 0.00 C ATOM 1093 CE2 TYR A 64 4.968 2.850 1.590 1.00 0.00 C ATOM 1094 CZ TYR A 64 4.076 3.287 2.532 1.00 0.00 C ATOM 1095 OH TYR A 64 4.443 4.278 3.392 1.00 0.00 O ATOM 0 H TYR A 64 2.436 -1.105 2.360 1.00 0.00 H new ATOM 0 HA TYR A 64 2.921 -1.994 -0.402 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.560 0.242 -1.081 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.914 0.300 -0.481 1.00 0.00 H new ATOM 0 HD1 TYR A 64 1.467 1.302 1.809 1.00 0.00 H new ATOM 0 HD2 TYR A 64 5.314 1.509 -0.016 1.00 0.00 H new ATOM 0 HE1 TYR A 64 2.116 3.090 3.357 1.00 0.00 H new ATOM 0 HE2 TYR A 64 5.952 3.290 1.529 1.00 0.00 H new ATOM 0 HH TYR A 64 5.421 4.326 3.438 1.00 0.00 H new ATOM 1105 N GLN A 65 5.477 -1.386 0.040 1.00 0.00 N ATOM 1106 CA GLN A 65 6.864 -1.439 0.395 1.00 0.00 C ATOM 1107 C GLN A 65 7.534 -0.339 -0.407 1.00 0.00 C ATOM 1108 O GLN A 65 7.419 -0.306 -1.644 1.00 0.00 O ATOM 1109 CB GLN A 65 7.443 -2.850 0.082 1.00 0.00 C ATOM 1110 CG GLN A 65 8.789 -3.195 0.759 1.00 0.00 C ATOM 1111 CD GLN A 65 10.018 -2.498 0.184 1.00 0.00 C ATOM 1112 OE1 GLN A 65 10.971 -2.206 0.900 1.00 0.00 O ATOM 1113 NE2 GLN A 65 10.043 -2.295 -1.107 1.00 0.00 N ATOM 0 H GLN A 65 5.311 -1.285 -0.961 1.00 0.00 H new ATOM 0 HA GLN A 65 7.033 -1.282 1.460 1.00 0.00 H new ATOM 0 HB2 GLN A 65 6.707 -3.597 0.380 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.568 -2.938 -0.997 1.00 0.00 H new ATOM 0 HG2 GLN A 65 8.716 -2.947 1.818 1.00 0.00 H new ATOM 0 HG3 GLN A 65 8.942 -4.272 0.694 1.00 0.00 H new ATOM 0 HE21 GLN A 65 9.237 -2.547 -1.679 1.00 0.00 H new ATOM 0 HE22 GLN A 65 10.869 -1.884 -1.543 1.00 0.00 H new ATOM 1122 N VAL A 66 8.160 0.588 0.273 1.00 0.00 N ATOM 1123 CA VAL A 66 8.775 1.711 -0.393 1.00 0.00 C ATOM 1124 C VAL A 66 10.160 1.345 -0.919 1.00 0.00 C ATOM 1125 O VAL A 66 11.048 0.961 -0.167 1.00 0.00 O ATOM 1126 CB VAL A 66 8.831 3.002 0.496 1.00 0.00 C ATOM 1127 CG1 VAL A 66 9.525 2.765 1.823 1.00 0.00 C ATOM 1128 CG2 VAL A 66 9.502 4.141 -0.254 1.00 0.00 C ATOM 0 H VAL A 66 8.258 0.588 1.288 1.00 0.00 H new ATOM 0 HA VAL A 66 8.134 1.953 -1.241 1.00 0.00 H new ATOM 0 HB VAL A 66 7.800 3.277 0.717 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.536 3.691 2.398 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.990 1.997 2.381 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.549 2.437 1.645 1.00 0.00 H new ATOM 0 HG21 VAL A 66 9.531 5.027 0.380 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.519 3.852 -0.520 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.938 4.362 -1.160 1.00 0.00 H new ATOM 1138 N ILE A 67 10.316 1.432 -2.208 1.00 0.00 N ATOM 1139 CA ILE A 67 11.566 1.140 -2.854 1.00 0.00 C ATOM 1140 C ILE A 67 12.260 2.469 -3.120 1.00 0.00 C ATOM 1141 O ILE A 67 11.862 3.199 -4.010 1.00 0.00 O ATOM 1142 CB ILE A 67 11.319 0.415 -4.213 1.00 0.00 C ATOM 1143 CG1 ILE A 67 10.373 -0.783 -4.023 1.00 0.00 C ATOM 1144 CG2 ILE A 67 12.637 -0.052 -4.804 1.00 0.00 C ATOM 1145 CD1 ILE A 67 10.027 -1.522 -5.303 1.00 0.00 C ATOM 0 H ILE A 67 9.572 1.710 -2.848 1.00 0.00 H new ATOM 0 HA ILE A 67 12.173 0.492 -2.222 1.00 0.00 H new ATOM 0 HB ILE A 67 10.852 1.121 -4.900 1.00 0.00 H new ATOM 0 HG12 ILE A 67 10.831 -1.485 -3.326 1.00 0.00 H new ATOM 0 HG13 ILE A 67 9.451 -0.431 -3.561 1.00 0.00 H new ATOM 0 HG21 ILE A 67 12.452 -0.557 -5.752 1.00 0.00 H new ATOM 0 HG22 ILE A 67 13.286 0.808 -4.971 1.00 0.00 H new ATOM 0 HG23 ILE A 67 13.121 -0.743 -4.114 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.356 -2.350 -5.075 1.00 0.00 H new ATOM 0 HD12 ILE A 67 9.537 -0.839 -5.996 1.00 0.00 H new ATOM 0 HD13 ILE A 67 10.939 -1.908 -5.758 1.00 0.00 H new ATOM 1157 N ASP A 68 13.279 2.797 -2.360 1.00 0.00 N ATOM 1158 CA ASP A 68 13.908 4.115 -2.510 1.00 0.00 C ATOM 1159 C ASP A 68 14.969 4.118 -3.596 1.00 0.00 C ATOM 1160 O ASP A 68 15.358 5.174 -4.087 1.00 0.00 O ATOM 1161 CB ASP A 68 14.464 4.677 -1.181 1.00 0.00 C ATOM 1162 CG ASP A 68 15.660 3.936 -0.625 1.00 0.00 C ATOM 1163 OD1 ASP A 68 15.475 2.937 0.091 1.00 0.00 O ATOM 1164 OD2 ASP A 68 16.801 4.373 -0.848 1.00 0.00 O ATOM 0 H ASP A 68 13.691 2.197 -1.646 1.00 0.00 H new ATOM 0 HA ASP A 68 13.110 4.789 -2.822 1.00 0.00 H new ATOM 0 HB2 ASP A 68 14.740 5.721 -1.332 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.668 4.663 -0.436 1.00 0.00 H new ATOM 1169 N GLU A 69 15.409 2.940 -3.996 1.00 0.00 N ATOM 1170 CA GLU A 69 16.405 2.823 -5.059 1.00 0.00 C ATOM 1171 C GLU A 69 15.771 3.074 -6.443 1.00 0.00 C ATOM 1172 O GLU A 69 16.337 3.758 -7.281 1.00 0.00 O ATOM 1173 CB GLU A 69 17.103 1.456 -4.982 1.00 0.00 C ATOM 1174 CG GLU A 69 16.171 0.271 -5.139 1.00 0.00 C ATOM 1175 CD GLU A 69 16.799 -1.021 -4.727 1.00 0.00 C ATOM 1176 OE1 GLU A 69 16.855 -1.296 -3.515 1.00 0.00 O ATOM 1177 OE2 GLU A 69 17.224 -1.796 -5.601 1.00 0.00 O ATOM 0 H GLU A 69 15.098 2.050 -3.606 1.00 0.00 H new ATOM 0 HA GLU A 69 17.164 3.592 -4.917 1.00 0.00 H new ATOM 0 HB2 GLU A 69 17.868 1.407 -5.757 1.00 0.00 H new ATOM 0 HB3 GLU A 69 17.615 1.376 -4.023 1.00 0.00 H new ATOM 0 HG2 GLU A 69 15.274 0.439 -4.543 1.00 0.00 H new ATOM 0 HG3 GLU A 69 15.854 0.200 -6.179 1.00 0.00 H new ATOM 1184 N LYS A 70 14.573 2.536 -6.649 1.00 0.00 N ATOM 1185 CA LYS A 70 13.829 2.729 -7.905 1.00 0.00 C ATOM 1186 C LYS A 70 12.900 3.904 -7.783 1.00 0.00 C ATOM 1187 O LYS A 70 12.295 4.326 -8.755 1.00 0.00 O ATOM 1188 CB LYS A 70 13.032 1.479 -8.268 1.00 0.00 C ATOM 1189 CG LYS A 70 13.874 0.301 -8.726 1.00 0.00 C ATOM 1190 CD LYS A 70 14.549 0.555 -10.082 1.00 0.00 C ATOM 1191 CE LYS A 70 13.529 0.793 -11.201 1.00 0.00 C ATOM 1192 NZ LYS A 70 14.181 0.986 -12.516 1.00 0.00 N ATOM 0 H LYS A 70 14.088 1.958 -5.962 1.00 0.00 H new ATOM 0 HA LYS A 70 14.552 2.921 -8.698 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.446 1.174 -7.401 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.325 1.732 -9.058 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.638 0.091 -7.977 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.245 -0.586 -8.797 1.00 0.00 H new ATOM 0 HD2 LYS A 70 15.207 1.421 -10.002 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.176 -0.299 -10.340 1.00 0.00 H new ATOM 0 HE2 LYS A 70 12.847 -0.055 -11.256 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.928 1.670 -10.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 13.455 1.144 -13.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 14.813 1.811 -12.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.734 0.139 -12.757 1.00 0.00 H new ATOM 1206 N VAL A 71 12.807 4.406 -6.557 1.00 0.00 N ATOM 1207 CA VAL A 71 11.994 5.554 -6.185 1.00 0.00 C ATOM 1208 C VAL A 71 10.535 5.313 -6.553 1.00 0.00 C ATOM 1209 O VAL A 71 9.985 5.950 -7.438 1.00 0.00 O ATOM 1210 CB VAL A 71 12.494 6.867 -6.834 1.00 0.00 C ATOM 1211 CG1 VAL A 71 11.858 8.061 -6.168 1.00 0.00 C ATOM 1212 CG2 VAL A 71 13.995 6.953 -6.772 1.00 0.00 C ATOM 0 H VAL A 71 13.315 4.009 -5.767 1.00 0.00 H new ATOM 0 HA VAL A 71 12.083 5.670 -5.105 1.00 0.00 H new ATOM 0 HB VAL A 71 12.200 6.866 -7.884 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.221 8.975 -6.637 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.775 8.003 -6.275 1.00 0.00 H new ATOM 0 HG13 VAL A 71 12.118 8.068 -5.109 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.326 7.883 -7.234 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.318 6.929 -5.731 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.430 6.108 -7.306 1.00 0.00 H new ATOM 1222 N VAL A 72 9.927 4.381 -5.891 1.00 0.00 N ATOM 1223 CA VAL A 72 8.587 4.014 -6.207 1.00 0.00 C ATOM 1224 C VAL A 72 7.915 3.338 -5.020 1.00 0.00 C ATOM 1225 O VAL A 72 8.546 2.579 -4.278 1.00 0.00 O ATOM 1226 CB VAL A 72 8.540 3.098 -7.479 1.00 0.00 C ATOM 1227 CG1 VAL A 72 9.327 1.807 -7.291 1.00 0.00 C ATOM 1228 CG2 VAL A 72 7.120 2.803 -7.889 1.00 0.00 C ATOM 0 H VAL A 72 10.343 3.857 -5.121 1.00 0.00 H new ATOM 0 HA VAL A 72 8.032 4.925 -6.432 1.00 0.00 H new ATOM 0 HB VAL A 72 9.020 3.655 -8.283 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.264 1.207 -8.199 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.371 2.044 -7.084 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.910 1.245 -6.455 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.122 2.166 -8.774 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.605 2.293 -7.075 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.605 3.737 -8.115 1.00 0.00 H new ATOM 1238 N VAL A 73 6.679 3.667 -4.813 1.00 0.00 N ATOM 1239 CA VAL A 73 5.875 3.062 -3.807 1.00 0.00 C ATOM 1240 C VAL A 73 5.145 1.904 -4.441 1.00 0.00 C ATOM 1241 O VAL A 73 4.219 2.097 -5.230 1.00 0.00 O ATOM 1242 CB VAL A 73 4.873 4.085 -3.220 1.00 0.00 C ATOM 1243 CG1 VAL A 73 3.931 3.443 -2.217 1.00 0.00 C ATOM 1244 CG2 VAL A 73 5.633 5.222 -2.575 1.00 0.00 C ATOM 0 H VAL A 73 6.192 4.382 -5.354 1.00 0.00 H new ATOM 0 HA VAL A 73 6.498 2.711 -2.984 1.00 0.00 H new ATOM 0 HB VAL A 73 4.262 4.468 -4.037 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.244 4.196 -1.829 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.363 2.651 -2.706 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.508 3.020 -1.395 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.928 5.943 -2.161 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.263 4.831 -1.776 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.257 5.713 -3.322 1.00 0.00 H new ATOM 1254 N PHE A 74 5.612 0.723 -4.166 1.00 0.00 N ATOM 1255 CA PHE A 74 5.031 -0.459 -4.722 1.00 0.00 C ATOM 1256 C PHE A 74 4.033 -1.050 -3.752 1.00 0.00 C ATOM 1257 O PHE A 74 4.403 -1.584 -2.708 1.00 0.00 O ATOM 1258 CB PHE A 74 6.134 -1.465 -5.105 1.00 0.00 C ATOM 1259 CG PHE A 74 5.633 -2.795 -5.606 1.00 0.00 C ATOM 1260 CD1 PHE A 74 4.611 -2.869 -6.537 1.00 0.00 C ATOM 1261 CD2 PHE A 74 6.195 -3.970 -5.145 1.00 0.00 C ATOM 1262 CE1 PHE A 74 4.159 -4.086 -6.989 1.00 0.00 C ATOM 1263 CE2 PHE A 74 5.746 -5.191 -5.598 1.00 0.00 C ATOM 1264 CZ PHE A 74 4.725 -5.246 -6.522 1.00 0.00 C ATOM 0 H PHE A 74 6.407 0.553 -3.550 1.00 0.00 H new ATOM 0 HA PHE A 74 4.492 -0.206 -5.635 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.763 -1.017 -5.874 1.00 0.00 H new ATOM 0 HB3 PHE A 74 6.768 -1.636 -4.235 1.00 0.00 H new ATOM 0 HD1 PHE A 74 4.164 -1.960 -6.912 1.00 0.00 H new ATOM 0 HD2 PHE A 74 6.996 -3.931 -4.421 1.00 0.00 H new ATOM 0 HE1 PHE A 74 3.358 -4.129 -7.712 1.00 0.00 H new ATOM 0 HE2 PHE A 74 6.193 -6.103 -5.230 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.370 -6.202 -6.879 1.00 0.00 H new ATOM 1274 N VAL A 75 2.780 -0.898 -4.074 1.00 0.00 N ATOM 1275 CA VAL A 75 1.716 -1.401 -3.262 1.00 0.00 C ATOM 1276 C VAL A 75 1.508 -2.886 -3.528 1.00 0.00 C ATOM 1277 O VAL A 75 1.348 -3.318 -4.678 1.00 0.00 O ATOM 1278 CB VAL A 75 0.409 -0.622 -3.486 1.00 0.00 C ATOM 1279 CG1 VAL A 75 -0.683 -1.120 -2.553 1.00 0.00 C ATOM 1280 CG2 VAL A 75 0.639 0.876 -3.300 1.00 0.00 C ATOM 0 H VAL A 75 2.468 -0.416 -4.917 1.00 0.00 H new ATOM 0 HA VAL A 75 2.001 -1.264 -2.219 1.00 0.00 H new ATOM 0 HB VAL A 75 0.081 -0.793 -4.511 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -1.598 -0.555 -2.729 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.868 -2.178 -2.741 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.367 -0.985 -1.519 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -0.297 1.411 -3.462 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.995 1.067 -2.287 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.384 1.222 -4.017 1.00 0.00 H new ATOM 1290 N ILE A 76 1.521 -3.632 -2.459 1.00 0.00 N ATOM 1291 CA ILE A 76 1.441 -5.070 -2.475 1.00 0.00 C ATOM 1292 C ILE A 76 -0.020 -5.528 -2.399 1.00 0.00 C ATOM 1293 O ILE A 76 -0.468 -6.356 -3.189 1.00 0.00 O ATOM 1294 CB ILE A 76 2.193 -5.638 -1.240 1.00 0.00 C ATOM 1295 CG1 ILE A 76 3.619 -5.058 -1.137 1.00 0.00 C ATOM 1296 CG2 ILE A 76 2.233 -7.159 -1.281 1.00 0.00 C ATOM 1297 CD1 ILE A 76 4.538 -5.411 -2.287 1.00 0.00 C ATOM 0 H ILE A 76 1.590 -3.244 -1.518 1.00 0.00 H new ATOM 0 HA ILE A 76 1.888 -5.431 -3.401 1.00 0.00 H new ATOM 0 HB ILE A 76 1.643 -5.334 -0.349 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.549 -3.972 -1.067 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.071 -5.408 -0.209 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.765 -7.533 -0.406 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.215 -7.550 -1.282 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.748 -7.485 -2.185 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.516 -4.958 -2.124 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.645 -6.494 -2.348 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.115 -5.036 -3.219 1.00 0.00 H new ATOM 1309 N SER A 77 -0.752 -4.996 -1.437 1.00 0.00 N ATOM 1310 CA SER A 77 -2.124 -5.388 -1.230 1.00 0.00 C ATOM 1311 C SER A 77 -2.956 -4.169 -0.863 1.00 0.00 C ATOM 1312 O SER A 77 -2.439 -3.202 -0.281 1.00 0.00 O ATOM 1313 CB SER A 77 -2.206 -6.465 -0.123 1.00 0.00 C ATOM 1314 OG SER A 77 -3.546 -6.878 0.122 1.00 0.00 O ATOM 0 H SER A 77 -0.412 -4.288 -0.786 1.00 0.00 H new ATOM 0 HA SER A 77 -2.522 -5.815 -2.151 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.608 -7.329 -0.413 1.00 0.00 H new ATOM 0 HB3 SER A 77 -1.774 -6.072 0.797 1.00 0.00 H new ATOM 0 HG SER A 77 -3.555 -7.560 0.826 1.00 0.00 H new ATOM 1320 N VAL A 78 -4.220 -4.209 -1.216 1.00 0.00 N ATOM 1321 CA VAL A 78 -5.159 -3.151 -0.942 1.00 0.00 C ATOM 1322 C VAL A 78 -6.431 -3.803 -0.434 1.00 0.00 C ATOM 1323 O VAL A 78 -6.972 -4.691 -1.081 1.00 0.00 O ATOM 1324 CB VAL A 78 -5.510 -2.331 -2.225 1.00 0.00 C ATOM 1325 CG1 VAL A 78 -6.478 -1.212 -1.894 1.00 0.00 C ATOM 1326 CG2 VAL A 78 -4.270 -1.760 -2.886 1.00 0.00 C ATOM 0 H VAL A 78 -4.632 -4.998 -1.714 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.718 -2.466 -0.218 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.980 -3.018 -2.928 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.711 -0.652 -2.800 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.395 -1.634 -1.483 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.025 -0.544 -1.161 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.558 -1.197 -3.774 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.757 -1.099 -2.188 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.603 -2.573 -3.172 1.00 0.00 H new ATOM 1336 N GLY A 79 -6.875 -3.426 0.713 1.00 0.00 N ATOM 1337 CA GLY A 79 -8.080 -3.978 1.229 1.00 0.00 C ATOM 1338 C GLY A 79 -7.962 -4.190 2.683 1.00 0.00 C ATOM 1339 O GLY A 79 -7.070 -3.654 3.299 1.00 0.00 O ATOM 0 H GLY A 79 -6.422 -2.737 1.313 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.914 -3.309 1.018 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.297 -4.924 0.733 1.00 0.00 H new ATOM 1343 N LYS A 80 -8.830 -4.944 3.247 1.00 0.00 N ATOM 1344 CA LYS A 80 -8.750 -5.187 4.648 1.00 0.00 C ATOM 1345 C LYS A 80 -8.268 -6.588 4.959 1.00 0.00 C ATOM 1346 O LYS A 80 -9.021 -7.580 4.873 1.00 0.00 O ATOM 1347 CB LYS A 80 -10.049 -4.825 5.380 1.00 0.00 C ATOM 1348 CG LYS A 80 -11.308 -5.380 4.750 1.00 0.00 C ATOM 1349 CD LYS A 80 -12.554 -4.997 5.537 1.00 0.00 C ATOM 1350 CE LYS A 80 -12.545 -5.583 6.942 1.00 0.00 C ATOM 1351 NZ LYS A 80 -13.774 -5.249 7.680 1.00 0.00 N ATOM 0 H LYS A 80 -9.603 -5.405 2.768 1.00 0.00 H new ATOM 0 HA LYS A 80 -7.989 -4.512 5.040 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -9.984 -5.186 6.407 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.132 -3.739 5.428 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.396 -5.010 3.728 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.236 -6.466 4.691 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.625 -3.911 5.598 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.440 -5.345 5.005 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -12.439 -6.666 6.884 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -11.680 -5.207 7.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -13.731 -5.665 8.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -13.862 -4.216 7.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -14.598 -5.630 7.172 1.00 0.00 H new ATOM 1715 N GLU B 54 -1.839 -8.233 12.900 1.00 0.00 N ATOM 1716 CA GLU B 54 -2.178 -7.918 11.509 1.00 0.00 C ATOM 1717 C GLU B 54 -0.888 -7.874 10.676 1.00 0.00 C ATOM 1718 O GLU B 54 -0.862 -8.253 9.504 1.00 0.00 O ATOM 1719 CB GLU B 54 -2.903 -6.556 11.476 1.00 0.00 C ATOM 1720 CG GLU B 54 -2.082 -5.420 12.061 1.00 0.00 C ATOM 1721 CD GLU B 54 -2.855 -4.143 12.274 1.00 0.00 C ATOM 1722 OE1 GLU B 54 -3.531 -4.003 13.322 1.00 0.00 O ATOM 1723 OE2 GLU B 54 -2.786 -3.243 11.414 1.00 0.00 O ATOM 0 HA GLU B 54 -2.835 -8.679 11.088 1.00 0.00 H new ATOM 0 HB2 GLU B 54 -3.160 -6.315 10.445 1.00 0.00 H new ATOM 0 HB3 GLU B 54 -3.840 -6.638 12.027 1.00 0.00 H new ATOM 0 HG2 GLU B 54 -1.665 -5.742 13.015 1.00 0.00 H new ATOM 0 HG3 GLU B 54 -1.241 -5.216 11.398 1.00 0.00 H new ATOM 1730 N ASP B 55 0.188 -7.443 11.336 1.00 0.00 N ATOM 1731 CA ASP B 55 1.521 -7.387 10.774 1.00 0.00 C ATOM 1732 C ASP B 55 1.980 -8.733 10.347 1.00 0.00 C ATOM 1733 O ASP B 55 2.568 -8.858 9.322 1.00 0.00 O ATOM 1734 CB ASP B 55 2.525 -6.866 11.781 1.00 0.00 C ATOM 1735 CG ASP B 55 2.452 -5.398 12.065 1.00 0.00 C ATOM 1736 OD1 ASP B 55 1.539 -4.958 12.770 1.00 0.00 O ATOM 1737 OD2 ASP B 55 3.357 -4.660 11.616 1.00 0.00 O ATOM 0 H ASP B 55 0.146 -7.116 12.301 1.00 0.00 H new ATOM 0 HA ASP B 55 1.464 -6.715 9.918 1.00 0.00 H new ATOM 0 HB2 ASP B 55 2.388 -7.407 12.718 1.00 0.00 H new ATOM 0 HB3 ASP B 55 3.527 -7.099 11.422 1.00 0.00 H new ATOM 1742 N ALA B 56 1.700 -9.738 11.144 1.00 0.00 N ATOM 1743 CA ALA B 56 2.154 -11.104 10.853 1.00 0.00 C ATOM 1744 C ALA B 56 1.534 -11.629 9.562 1.00 0.00 C ATOM 1745 O ALA B 56 2.235 -12.238 8.741 1.00 0.00 O ATOM 1746 CB ALA B 56 1.857 -12.035 12.021 1.00 0.00 C ATOM 0 H ALA B 56 1.159 -9.648 12.004 1.00 0.00 H new ATOM 0 HA ALA B 56 3.234 -11.074 10.712 1.00 0.00 H new ATOM 0 HB1 ALA B 56 2.202 -13.041 11.782 1.00 0.00 H new ATOM 0 HB2 ALA B 56 2.373 -11.677 12.912 1.00 0.00 H new ATOM 0 HB3 ALA B 56 0.783 -12.055 12.207 1.00 0.00 H new ATOM 1752 N GLU B 57 0.238 -11.370 9.358 1.00 0.00 N ATOM 1753 CA GLU B 57 -0.398 -11.804 8.129 1.00 0.00 C ATOM 1754 C GLU B 57 0.095 -10.982 6.944 1.00 0.00 C ATOM 1755 O GLU B 57 0.368 -11.512 5.877 1.00 0.00 O ATOM 1756 CB GLU B 57 -1.939 -11.831 8.192 1.00 0.00 C ATOM 1757 CG GLU B 57 -2.541 -12.169 6.809 1.00 0.00 C ATOM 1758 CD GLU B 57 -4.008 -12.534 6.763 1.00 0.00 C ATOM 1759 OE1 GLU B 57 -4.887 -11.635 6.650 1.00 0.00 O ATOM 1760 OE2 GLU B 57 -4.309 -13.751 6.724 1.00 0.00 O ATOM 0 H GLU B 57 -0.369 -10.876 10.012 1.00 0.00 H new ATOM 0 HA GLU B 57 -0.098 -12.843 7.989 1.00 0.00 H new ATOM 0 HB2 GLU B 57 -2.264 -12.569 8.925 1.00 0.00 H new ATOM 0 HB3 GLU B 57 -2.310 -10.863 8.528 1.00 0.00 H new ATOM 0 HG2 GLU B 57 -2.386 -11.311 6.155 1.00 0.00 H new ATOM 0 HG3 GLU B 57 -1.973 -12.998 6.387 1.00 0.00 H new ATOM 1767 N LEU B 58 0.269 -9.701 7.147 1.00 0.00 N ATOM 1768 CA LEU B 58 0.755 -8.842 6.080 1.00 0.00 C ATOM 1769 C LEU B 58 2.162 -9.221 5.657 1.00 0.00 C ATOM 1770 O LEU B 58 2.516 -9.090 4.505 1.00 0.00 O ATOM 1771 CB LEU B 58 0.673 -7.385 6.473 1.00 0.00 C ATOM 1772 CG LEU B 58 -0.733 -6.849 6.663 1.00 0.00 C ATOM 1773 CD1 LEU B 58 -0.725 -5.400 7.046 1.00 0.00 C ATOM 1774 CD2 LEU B 58 -1.577 -7.109 5.433 1.00 0.00 C ATOM 0 H LEU B 58 0.085 -9.226 8.031 1.00 0.00 H new ATOM 0 HA LEU B 58 0.105 -8.991 5.217 1.00 0.00 H new ATOM 0 HB2 LEU B 58 1.228 -7.243 7.400 1.00 0.00 H new ATOM 0 HB3 LEU B 58 1.172 -6.790 5.708 1.00 0.00 H new ATOM 0 HG LEU B 58 -1.190 -7.387 7.494 1.00 0.00 H new ATOM 0 HD11 LEU B 58 -1.750 -5.052 7.173 1.00 0.00 H new ATOM 0 HD12 LEU B 58 -0.180 -5.274 7.982 1.00 0.00 H new ATOM 0 HD13 LEU B 58 -0.239 -4.819 6.262 1.00 0.00 H new ATOM 0 HD21 LEU B 58 -2.581 -6.716 5.591 1.00 0.00 H new ATOM 0 HD22 LEU B 58 -1.126 -6.616 4.572 1.00 0.00 H new ATOM 0 HD23 LEU B 58 -1.632 -8.182 5.249 1.00 0.00 H new ATOM 1786 N VAL B 59 2.922 -9.731 6.596 1.00 0.00 N ATOM 1787 CA VAL B 59 4.262 -10.218 6.370 1.00 0.00 C ATOM 1788 C VAL B 59 4.240 -11.454 5.461 1.00 0.00 C ATOM 1789 O VAL B 59 5.055 -11.567 4.535 1.00 0.00 O ATOM 1790 CB VAL B 59 4.982 -10.499 7.739 1.00 0.00 C ATOM 1791 CG1 VAL B 59 6.160 -11.410 7.618 1.00 0.00 C ATOM 1792 CG2 VAL B 59 5.440 -9.207 8.375 1.00 0.00 C ATOM 0 H VAL B 59 2.617 -9.821 7.565 1.00 0.00 H new ATOM 0 HA VAL B 59 4.837 -9.450 5.853 1.00 0.00 H new ATOM 0 HB VAL B 59 4.239 -10.996 8.362 1.00 0.00 H new ATOM 0 HG11 VAL B 59 6.607 -11.559 8.601 1.00 0.00 H new ATOM 0 HG12 VAL B 59 5.837 -12.371 7.217 1.00 0.00 H new ATOM 0 HG13 VAL B 59 6.896 -10.966 6.948 1.00 0.00 H new ATOM 0 HG21 VAL B 59 5.936 -9.423 9.321 1.00 0.00 H new ATOM 0 HG22 VAL B 59 6.137 -8.700 7.708 1.00 0.00 H new ATOM 0 HG23 VAL B 59 4.578 -8.565 8.555 1.00 0.00 H new ATOM 1802 N GLU B 60 3.281 -12.349 5.675 1.00 0.00 N ATOM 1803 CA GLU B 60 3.194 -13.539 4.845 1.00 0.00 C ATOM 1804 C GLU B 60 2.589 -13.228 3.468 1.00 0.00 C ATOM 1805 O GLU B 60 2.945 -13.860 2.471 1.00 0.00 O ATOM 1806 CB GLU B 60 2.474 -14.701 5.542 1.00 0.00 C ATOM 1807 CG GLU B 60 1.047 -14.420 5.941 1.00 0.00 C ATOM 1808 CD GLU B 60 0.383 -15.583 6.618 1.00 0.00 C ATOM 1809 OE1 GLU B 60 0.621 -15.798 7.830 1.00 0.00 O ATOM 1810 OE2 GLU B 60 -0.376 -16.311 5.957 1.00 0.00 O ATOM 0 H GLU B 60 2.568 -12.274 6.401 1.00 0.00 H new ATOM 0 HA GLU B 60 4.218 -13.875 4.681 1.00 0.00 H new ATOM 0 HB2 GLU B 60 2.486 -15.566 4.879 1.00 0.00 H new ATOM 0 HB3 GLU B 60 3.037 -14.975 6.434 1.00 0.00 H new ATOM 0 HG2 GLU B 60 1.026 -13.559 6.609 1.00 0.00 H new ATOM 0 HG3 GLU B 60 0.475 -14.149 5.054 1.00 0.00 H new ATOM 1817 N ILE B 61 1.704 -12.241 3.418 1.00 0.00 N ATOM 1818 CA ILE B 61 1.096 -11.814 2.159 1.00 0.00 C ATOM 1819 C ILE B 61 2.144 -11.150 1.263 1.00 0.00 C ATOM 1820 O ILE B 61 2.227 -11.434 0.073 1.00 0.00 O ATOM 1821 CB ILE B 61 -0.095 -10.830 2.379 1.00 0.00 C ATOM 1822 CG1 ILE B 61 -1.211 -11.503 3.186 1.00 0.00 C ATOM 1823 CG2 ILE B 61 -0.648 -10.327 1.039 1.00 0.00 C ATOM 1824 CD1 ILE B 61 -2.361 -10.579 3.529 1.00 0.00 C ATOM 0 H ILE B 61 1.389 -11.718 4.235 1.00 0.00 H new ATOM 0 HA ILE B 61 0.705 -12.709 1.676 1.00 0.00 H new ATOM 0 HB ILE B 61 0.280 -9.975 2.941 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -1.595 -12.351 2.619 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -0.790 -11.901 4.109 1.00 0.00 H new ATOM 0 HG21 ILE B 61 -1.477 -9.643 1.221 1.00 0.00 H new ATOM 0 HG22 ILE B 61 0.139 -9.806 0.493 1.00 0.00 H new ATOM 0 HG23 ILE B 61 -0.999 -11.174 0.449 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -3.110 -11.127 4.100 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -1.992 -9.743 4.123 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -2.810 -10.200 2.611 1.00 0.00 H new ATOM 1836 N VAL B 62 2.963 -10.290 1.848 1.00 0.00 N ATOM 1837 CA VAL B 62 3.965 -9.573 1.084 1.00 0.00 C ATOM 1838 C VAL B 62 5.083 -10.502 0.625 1.00 0.00 C ATOM 1839 O VAL B 62 5.472 -10.464 -0.534 1.00 0.00 O ATOM 1840 CB VAL B 62 4.516 -8.292 1.813 1.00 0.00 C ATOM 1841 CG1 VAL B 62 5.227 -8.620 3.105 1.00 0.00 C ATOM 1842 CG2 VAL B 62 5.432 -7.490 0.908 1.00 0.00 C ATOM 0 H VAL B 62 2.952 -10.074 2.845 1.00 0.00 H new ATOM 0 HA VAL B 62 3.458 -9.199 0.194 1.00 0.00 H new ATOM 0 HB VAL B 62 3.644 -7.687 2.059 1.00 0.00 H new ATOM 0 HG11 VAL B 62 5.587 -7.700 3.566 1.00 0.00 H new ATOM 0 HG12 VAL B 62 4.536 -9.120 3.784 1.00 0.00 H new ATOM 0 HG13 VAL B 62 6.072 -9.277 2.899 1.00 0.00 H new ATOM 0 HG21 VAL B 62 5.795 -6.612 1.443 1.00 0.00 H new ATOM 0 HG22 VAL B 62 6.279 -8.107 0.608 1.00 0.00 H new ATOM 0 HG23 VAL B 62 4.882 -7.173 0.022 1.00 0.00 H new ATOM 1852 N LYS B 63 5.528 -11.402 1.508 1.00 0.00 N ATOM 1853 CA LYS B 63 6.599 -12.337 1.175 1.00 0.00 C ATOM 1854 C LYS B 63 6.154 -13.261 0.023 1.00 0.00 C ATOM 1855 O LYS B 63 6.968 -13.718 -0.781 1.00 0.00 O ATOM 1856 CB LYS B 63 7.022 -13.143 2.420 1.00 0.00 C ATOM 1857 CG LYS B 63 6.063 -14.240 2.836 1.00 0.00 C ATOM 1858 CD LYS B 63 6.428 -14.827 4.198 1.00 0.00 C ATOM 1859 CE LYS B 63 7.841 -15.363 4.236 1.00 0.00 C ATOM 1860 NZ LYS B 63 8.144 -15.981 5.542 1.00 0.00 N ATOM 0 H LYS B 63 5.162 -11.500 2.455 1.00 0.00 H new ATOM 0 HA LYS B 63 7.471 -11.776 0.839 1.00 0.00 H new ATOM 0 HB2 LYS B 63 7.998 -13.589 2.230 1.00 0.00 H new ATOM 0 HB3 LYS B 63 7.144 -12.453 3.255 1.00 0.00 H new ATOM 0 HG2 LYS B 63 5.049 -13.842 2.872 1.00 0.00 H new ATOM 0 HG3 LYS B 63 6.068 -15.031 2.086 1.00 0.00 H new ATOM 0 HD2 LYS B 63 6.313 -14.060 4.964 1.00 0.00 H new ATOM 0 HD3 LYS B 63 5.732 -15.629 4.443 1.00 0.00 H new ATOM 0 HE2 LYS B 63 7.975 -16.099 3.443 1.00 0.00 H new ATOM 0 HE3 LYS B 63 8.545 -14.554 4.042 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 9.120 -16.340 5.538 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 8.039 -15.271 6.295 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 7.487 -16.768 5.714 1.00 0.00 H new ATOM 1874 N GLU B 64 4.851 -13.477 -0.065 1.00 0.00 N ATOM 1875 CA GLU B 64 4.262 -14.274 -1.108 1.00 0.00 C ATOM 1876 C GLU B 64 4.199 -13.474 -2.410 1.00 0.00 C ATOM 1877 O GLU B 64 4.597 -13.944 -3.460 1.00 0.00 O ATOM 1878 CB GLU B 64 2.852 -14.663 -0.720 1.00 0.00 C ATOM 1879 CG GLU B 64 2.164 -15.520 -1.743 1.00 0.00 C ATOM 1880 CD GLU B 64 2.640 -16.960 -1.743 1.00 0.00 C ATOM 1881 OE1 GLU B 64 3.648 -17.282 -2.407 1.00 0.00 O ATOM 1882 OE2 GLU B 64 2.018 -17.804 -1.083 1.00 0.00 O ATOM 0 H GLU B 64 4.174 -13.097 0.596 1.00 0.00 H new ATOM 0 HA GLU B 64 4.874 -15.165 -1.249 1.00 0.00 H new ATOM 0 HB2 GLU B 64 2.879 -15.196 0.230 1.00 0.00 H new ATOM 0 HB3 GLU B 64 2.265 -13.759 -0.561 1.00 0.00 H new ATOM 0 HG2 GLU B 64 1.090 -15.501 -1.559 1.00 0.00 H new ATOM 0 HG3 GLU B 64 2.326 -15.092 -2.732 1.00 0.00 H new ATOM 1889 N ARG B 65 3.711 -12.257 -2.342 1.00 0.00 N ATOM 1890 CA ARG B 65 3.565 -11.443 -3.536 1.00 0.00 C ATOM 1891 C ARG B 65 4.891 -10.877 -3.989 1.00 0.00 C ATOM 1892 O ARG B 65 5.003 -10.366 -5.070 1.00 0.00 O ATOM 1893 CB ARG B 65 2.507 -10.337 -3.379 1.00 0.00 C ATOM 1894 CG ARG B 65 1.089 -10.860 -3.186 1.00 0.00 C ATOM 1895 CD ARG B 65 0.060 -9.735 -3.200 1.00 0.00 C ATOM 1896 NE ARG B 65 -1.303 -10.247 -3.009 1.00 0.00 N ATOM 1897 CZ ARG B 65 -2.438 -9.613 -3.357 1.00 0.00 C ATOM 1898 NH1 ARG B 65 -2.403 -8.422 -3.943 1.00 0.00 N ATOM 1899 NH2 ARG B 65 -3.610 -10.185 -3.130 1.00 0.00 N ATOM 0 H ARG B 65 3.408 -11.806 -1.478 1.00 0.00 H new ATOM 0 HA ARG B 65 3.202 -12.110 -4.318 1.00 0.00 H new ATOM 0 HB2 ARG B 65 2.772 -9.713 -2.526 1.00 0.00 H new ATOM 0 HB3 ARG B 65 2.531 -9.698 -4.261 1.00 0.00 H new ATOM 0 HG2 ARG B 65 0.856 -11.575 -3.975 1.00 0.00 H new ATOM 0 HG3 ARG B 65 1.026 -11.397 -2.240 1.00 0.00 H new ATOM 0 HD2 ARG B 65 0.293 -9.018 -2.413 1.00 0.00 H new ATOM 0 HD3 ARG B 65 0.119 -9.199 -4.147 1.00 0.00 H new ATOM 0 HE ARG B 65 -1.398 -11.165 -2.574 1.00 0.00 H new ATOM 0 HH11 ARG B 65 -1.507 -7.975 -4.136 1.00 0.00 H new ATOM 0 HH12 ARG B 65 -3.272 -7.955 -4.201 1.00 0.00 H new ATOM 0 HH21 ARG B 65 -3.652 -11.105 -2.692 1.00 0.00 H new ATOM 0 HH22 ARG B 65 -4.471 -9.706 -3.393 1.00 0.00 H new ATOM 1913 N LEU B 66 5.903 -11.012 -3.167 1.00 0.00 N ATOM 1914 CA LEU B 66 7.235 -10.524 -3.555 1.00 0.00 C ATOM 1915 C LEU B 66 7.983 -11.519 -4.412 1.00 0.00 C ATOM 1916 O LEU B 66 8.941 -11.160 -5.093 1.00 0.00 O ATOM 1917 CB LEU B 66 8.104 -10.079 -2.371 1.00 0.00 C ATOM 1918 CG LEU B 66 7.730 -8.749 -1.707 1.00 0.00 C ATOM 1919 CD1 LEU B 66 8.685 -8.444 -0.565 1.00 0.00 C ATOM 1920 CD2 LEU B 66 7.741 -7.608 -2.724 1.00 0.00 C ATOM 0 H LEU B 66 5.850 -11.443 -2.244 1.00 0.00 H new ATOM 0 HA LEU B 66 7.037 -9.633 -4.151 1.00 0.00 H new ATOM 0 HB2 LEU B 66 8.071 -10.860 -1.612 1.00 0.00 H new ATOM 0 HB3 LEU B 66 9.137 -10.011 -2.713 1.00 0.00 H new ATOM 0 HG LEU B 66 6.720 -8.840 -1.308 1.00 0.00 H new ATOM 0 HD11 LEU B 66 8.408 -7.497 -0.102 1.00 0.00 H new ATOM 0 HD12 LEU B 66 8.630 -9.240 0.177 1.00 0.00 H new ATOM 0 HD13 LEU B 66 9.702 -8.376 -0.950 1.00 0.00 H new ATOM 0 HD21 LEU B 66 7.472 -6.676 -2.228 1.00 0.00 H new ATOM 0 HD22 LEU B 66 8.737 -7.515 -3.156 1.00 0.00 H new ATOM 0 HD23 LEU B 66 7.021 -7.819 -3.515 1.00 0.00 H new ATOM 1932 N ARG B 67 7.557 -12.763 -4.398 1.00 0.00 N ATOM 1933 CA ARG B 67 8.223 -13.767 -5.209 1.00 0.00 C ATOM 1934 C ARG B 67 7.741 -13.653 -6.655 1.00 0.00 C ATOM 1935 O ARG B 67 8.503 -13.863 -7.592 1.00 0.00 O ATOM 1936 CB ARG B 67 7.994 -15.184 -4.639 1.00 0.00 C ATOM 1937 CG ARG B 67 6.565 -15.671 -4.746 1.00 0.00 C ATOM 1938 CD ARG B 67 6.288 -16.881 -3.888 1.00 0.00 C ATOM 1939 NE ARG B 67 6.998 -18.080 -4.304 1.00 0.00 N ATOM 1940 CZ ARG B 67 6.648 -19.312 -3.922 1.00 0.00 C ATOM 1941 NH1 ARG B 67 5.543 -19.493 -3.176 1.00 0.00 N ATOM 1942 NH2 ARG B 67 7.372 -20.367 -4.308 1.00 0.00 N ATOM 0 H ARG B 67 6.769 -13.103 -3.847 1.00 0.00 H new ATOM 0 HA ARG B 67 9.298 -13.590 -5.187 1.00 0.00 H new ATOM 0 HB2 ARG B 67 8.645 -15.884 -5.163 1.00 0.00 H new ATOM 0 HB3 ARG B 67 8.292 -15.195 -3.591 1.00 0.00 H new ATOM 0 HG2 ARG B 67 5.890 -14.865 -4.457 1.00 0.00 H new ATOM 0 HG3 ARG B 67 6.346 -15.912 -5.786 1.00 0.00 H new ATOM 0 HD2 ARG B 67 6.558 -16.651 -2.857 1.00 0.00 H new ATOM 0 HD3 ARG B 67 5.217 -17.084 -3.900 1.00 0.00 H new ATOM 0 HE ARG B 67 7.805 -17.975 -4.919 1.00 0.00 H new ATOM 0 HH11 ARG B 67 4.975 -18.691 -2.903 1.00 0.00 H new ATOM 0 HH12 ARG B 67 5.274 -20.432 -2.883 1.00 0.00 H new ATOM 0 HH21 ARG B 67 8.195 -20.233 -4.896 1.00 0.00 H new ATOM 0 HH22 ARG B 67 7.102 -21.306 -4.015 1.00 0.00 H new ATOM 1956 N ASN B 68 6.490 -13.267 -6.816 1.00 0.00 N ATOM 1957 CA ASN B 68 5.862 -13.132 -8.127 1.00 0.00 C ATOM 1958 C ASN B 68 4.872 -11.973 -8.105 1.00 0.00 C ATOM 1959 O ASN B 68 3.671 -12.181 -7.900 1.00 0.00 O ATOM 1960 CB ASN B 68 5.139 -14.437 -8.553 1.00 0.00 C ATOM 1961 CG ASN B 68 6.075 -15.586 -8.907 1.00 0.00 C ATOM 1962 OD1 ASN B 68 6.472 -16.373 -8.047 1.00 0.00 O ATOM 1963 ND2 ASN B 68 6.409 -15.717 -10.168 1.00 0.00 N ATOM 0 H ASN B 68 5.872 -13.035 -6.038 1.00 0.00 H new ATOM 0 HA ASN B 68 6.647 -12.934 -8.857 1.00 0.00 H new ATOM 0 HB2 ASN B 68 4.482 -14.755 -7.744 1.00 0.00 H new ATOM 0 HB3 ASN B 68 4.504 -14.223 -9.413 1.00 0.00 H new ATOM 0 HD21 ASN B 68 7.013 -16.486 -10.458 1.00 0.00 H new ATOM 0 HD22 ASN B 68 6.065 -15.050 -10.859 1.00 0.00 H new ATOM 1970 N PRO B 69 5.354 -10.729 -8.235 1.00 0.00 N ATOM 1971 CA PRO B 69 4.504 -9.550 -8.187 1.00 0.00 C ATOM 1972 C PRO B 69 3.981 -9.067 -9.553 1.00 0.00 C ATOM 1973 O PRO B 69 2.818 -9.275 -9.872 1.00 0.00 O ATOM 1974 CB PRO B 69 5.413 -8.486 -7.550 1.00 0.00 C ATOM 1975 CG PRO B 69 6.815 -9.043 -7.602 1.00 0.00 C ATOM 1976 CD PRO B 69 6.755 -10.353 -8.357 1.00 0.00 C ATOM 0 HA PRO B 69 3.589 -9.763 -7.634 1.00 0.00 H new ATOM 0 HB2 PRO B 69 5.348 -7.543 -8.093 1.00 0.00 H new ATOM 0 HB3 PRO B 69 5.113 -8.283 -6.522 1.00 0.00 H new ATOM 0 HG2 PRO B 69 7.487 -8.344 -8.100 1.00 0.00 H new ATOM 0 HG3 PRO B 69 7.204 -9.198 -6.596 1.00 0.00 H new ATOM 0 HD2 PRO B 69 7.053 -10.234 -9.399 1.00 0.00 H new ATOM 0 HD3 PRO B 69 7.415 -11.103 -7.920 1.00 0.00 H new ATOM 1984 N LYS B 70 4.872 -8.486 -10.370 1.00 0.00 N ATOM 1985 CA LYS B 70 4.508 -7.817 -11.631 1.00 0.00 C ATOM 1986 C LYS B 70 3.778 -6.502 -11.371 1.00 0.00 C ATOM 1987 O LYS B 70 2.552 -6.461 -11.240 1.00 0.00 O ATOM 1988 CB LYS B 70 3.735 -8.710 -12.642 1.00 0.00 C ATOM 1989 CG LYS B 70 4.603 -9.626 -13.504 1.00 0.00 C ATOM 1990 CD LYS B 70 5.389 -10.636 -12.698 1.00 0.00 C ATOM 1991 CE LYS B 70 6.264 -11.485 -13.610 1.00 0.00 C ATOM 1992 NZ LYS B 70 7.100 -12.430 -12.854 1.00 0.00 N ATOM 0 H LYS B 70 5.873 -8.466 -10.174 1.00 0.00 H new ATOM 0 HA LYS B 70 5.457 -7.599 -12.121 1.00 0.00 H new ATOM 0 HB2 LYS B 70 3.025 -9.325 -12.089 1.00 0.00 H new ATOM 0 HB3 LYS B 70 3.153 -8.065 -13.300 1.00 0.00 H new ATOM 0 HG2 LYS B 70 3.968 -10.154 -14.215 1.00 0.00 H new ATOM 0 HG3 LYS B 70 5.295 -9.017 -14.086 1.00 0.00 H new ATOM 0 HD2 LYS B 70 6.010 -10.121 -11.966 1.00 0.00 H new ATOM 0 HD3 LYS B 70 4.705 -11.277 -12.141 1.00 0.00 H new ATOM 0 HE2 LYS B 70 5.632 -12.037 -14.306 1.00 0.00 H new ATOM 0 HE3 LYS B 70 6.903 -10.834 -14.207 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 7.679 -12.987 -13.515 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 7.722 -11.903 -12.208 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 6.491 -13.069 -12.304 1.00 0.00 H new ATOM 2006 N PRO B 71 4.543 -5.414 -11.214 1.00 0.00 N ATOM 2007 CA PRO B 71 3.990 -4.101 -10.979 1.00 0.00 C ATOM 2008 C PRO B 71 3.622 -3.371 -12.272 1.00 0.00 C ATOM 2009 O PRO B 71 4.262 -3.544 -13.331 1.00 0.00 O ATOM 2010 CB PRO B 71 5.127 -3.371 -10.271 1.00 0.00 C ATOM 2011 CG PRO B 71 6.373 -3.982 -10.816 1.00 0.00 C ATOM 2012 CD PRO B 71 6.024 -5.393 -11.221 1.00 0.00 C ATOM 0 HA PRO B 71 3.061 -4.150 -10.410 1.00 0.00 H new ATOM 0 HB2 PRO B 71 5.093 -2.300 -10.469 1.00 0.00 H new ATOM 0 HB3 PRO B 71 5.065 -3.497 -9.190 1.00 0.00 H new ATOM 0 HG2 PRO B 71 6.741 -3.414 -11.671 1.00 0.00 H new ATOM 0 HG3 PRO B 71 7.165 -3.979 -10.067 1.00 0.00 H new ATOM 0 HD2 PRO B 71 6.422 -5.635 -12.207 1.00 0.00 H new ATOM 0 HD3 PRO B 71 6.436 -6.122 -10.523 1.00 0.00 H new ATOM 2020 N VAL B 72 2.585 -2.597 -12.196 1.00 0.00 N ATOM 2021 CA VAL B 72 2.171 -1.756 -13.282 1.00 0.00 C ATOM 2022 C VAL B 72 2.411 -0.314 -12.858 1.00 0.00 C ATOM 2023 O VAL B 72 1.894 0.109 -11.819 1.00 0.00 O ATOM 2024 CB VAL B 72 0.661 -1.960 -13.620 1.00 0.00 C ATOM 2025 CG1 VAL B 72 0.234 -1.084 -14.794 1.00 0.00 C ATOM 2026 CG2 VAL B 72 0.367 -3.426 -13.922 1.00 0.00 C ATOM 0 H VAL B 72 1.993 -2.528 -11.369 1.00 0.00 H new ATOM 0 HA VAL B 72 2.740 -2.008 -14.177 1.00 0.00 H new ATOM 0 HB VAL B 72 0.084 -1.661 -12.745 1.00 0.00 H new ATOM 0 HG11 VAL B 72 -0.823 -1.249 -15.005 1.00 0.00 H new ATOM 0 HG12 VAL B 72 0.395 -0.036 -14.543 1.00 0.00 H new ATOM 0 HG13 VAL B 72 0.824 -1.341 -15.673 1.00 0.00 H new ATOM 0 HG21 VAL B 72 -0.691 -3.544 -14.155 1.00 0.00 H new ATOM 0 HG22 VAL B 72 0.964 -3.749 -14.775 1.00 0.00 H new ATOM 0 HG23 VAL B 72 0.617 -4.034 -13.053 1.00 0.00 H new ATOM 2036 N ARG B 73 3.234 0.405 -13.619 1.00 0.00 N ATOM 2037 CA ARG B 73 3.528 1.808 -13.334 1.00 0.00 C ATOM 2038 C ARG B 73 2.275 2.643 -13.487 1.00 0.00 C ATOM 2039 O ARG B 73 1.691 2.725 -14.591 1.00 0.00 O ATOM 2040 CB ARG B 73 4.621 2.370 -14.268 1.00 0.00 C ATOM 2041 CG ARG B 73 4.863 3.873 -14.071 1.00 0.00 C ATOM 2042 CD ARG B 73 5.602 4.177 -12.774 1.00 0.00 C ATOM 2043 NE ARG B 73 7.062 4.046 -12.928 1.00 0.00 N ATOM 2044 CZ ARG B 73 7.869 3.317 -12.150 1.00 0.00 C ATOM 2045 NH1 ARG B 73 7.371 2.424 -11.315 1.00 0.00 N ATOM 2046 NH2 ARG B 73 9.185 3.447 -12.273 1.00 0.00 N ATOM 0 H ARG B 73 3.711 0.037 -14.442 1.00 0.00 H new ATOM 0 HA ARG B 73 3.893 1.858 -12.308 1.00 0.00 H new ATOM 0 HB2 ARG B 73 5.553 1.832 -14.093 1.00 0.00 H new ATOM 0 HB3 ARG B 73 4.336 2.186 -15.304 1.00 0.00 H new ATOM 0 HG2 ARG B 73 5.438 4.259 -14.913 1.00 0.00 H new ATOM 0 HG3 ARG B 73 3.906 4.396 -14.072 1.00 0.00 H new ATOM 0 HD2 ARG B 73 5.361 5.189 -12.448 1.00 0.00 H new ATOM 0 HD3 ARG B 73 5.257 3.500 -11.993 1.00 0.00 H new ATOM 0 HE ARG B 73 7.496 4.557 -13.697 1.00 0.00 H new ATOM 0 HH11 ARG B 73 6.362 2.285 -11.259 1.00 0.00 H new ATOM 0 HH12 ARG B 73 7.995 1.873 -10.726 1.00 0.00 H new ATOM 0 HH21 ARG B 73 9.571 4.098 -12.956 1.00 0.00 H new ATOM 0 HH22 ARG B 73 9.809 2.895 -11.684 1.00 0.00 H new ATOM 2060 N VAL B 74 1.865 3.250 -12.422 1.00 0.00 N ATOM 2061 CA VAL B 74 0.696 4.076 -12.423 1.00 0.00 C ATOM 2062 C VAL B 74 0.951 5.368 -11.665 1.00 0.00 C ATOM 2063 O VAL B 74 2.043 5.600 -11.121 1.00 0.00 O ATOM 2064 CB VAL B 74 -0.558 3.356 -11.817 1.00 0.00 C ATOM 2065 CG1 VAL B 74 -1.024 2.195 -12.683 1.00 0.00 C ATOM 2066 CG2 VAL B 74 -0.272 2.873 -10.411 1.00 0.00 C ATOM 0 H VAL B 74 2.333 3.188 -11.518 1.00 0.00 H new ATOM 0 HA VAL B 74 0.478 4.295 -13.468 1.00 0.00 H new ATOM 0 HB VAL B 74 -1.363 4.090 -11.785 1.00 0.00 H new ATOM 0 HG11 VAL B 74 -1.895 1.726 -12.225 1.00 0.00 H new ATOM 0 HG12 VAL B 74 -1.290 2.564 -13.674 1.00 0.00 H new ATOM 0 HG13 VAL B 74 -0.222 1.462 -12.772 1.00 0.00 H new ATOM 0 HG21 VAL B 74 -1.156 2.377 -10.010 1.00 0.00 H new ATOM 0 HG22 VAL B 74 0.561 2.171 -10.430 1.00 0.00 H new ATOM 0 HG23 VAL B 74 -0.016 3.723 -9.779 1.00 0.00 H new ATOM 2076 N THR B 75 -0.028 6.207 -11.694 1.00 0.00 N ATOM 2077 CA THR B 75 -0.054 7.436 -10.987 1.00 0.00 C ATOM 2078 C THR B 75 -1.415 7.505 -10.317 1.00 0.00 C ATOM 2079 O THR B 75 -2.328 6.786 -10.720 1.00 0.00 O ATOM 2080 CB THR B 75 0.122 8.646 -11.944 1.00 0.00 C ATOM 2081 OG1 THR B 75 -0.837 8.570 -13.002 1.00 0.00 O ATOM 2082 CG2 THR B 75 1.531 8.709 -12.526 1.00 0.00 C ATOM 0 H THR B 75 -0.874 6.043 -12.240 1.00 0.00 H new ATOM 0 HA THR B 75 0.763 7.481 -10.267 1.00 0.00 H new ATOM 0 HB THR B 75 -0.038 9.555 -11.364 1.00 0.00 H new ATOM 0 HG1 THR B 75 -0.610 7.825 -13.596 1.00 0.00 H new ATOM 0 HG21 THR B 75 1.612 9.570 -13.190 1.00 0.00 H new ATOM 0 HG22 THR B 75 2.255 8.805 -11.717 1.00 0.00 H new ATOM 0 HG23 THR B 75 1.734 7.797 -13.088 1.00 0.00 H new ATOM 2090 N LEU B 76 -1.572 8.346 -9.339 1.00 0.00 N ATOM 2091 CA LEU B 76 -2.869 8.506 -8.669 1.00 0.00 C ATOM 2092 C LEU B 76 -3.867 9.162 -9.605 1.00 0.00 C ATOM 2093 O LEU B 76 -5.076 8.978 -9.484 1.00 0.00 O ATOM 2094 CB LEU B 76 -2.685 9.338 -7.425 1.00 0.00 C ATOM 2095 CG LEU B 76 -1.762 8.730 -6.403 1.00 0.00 C ATOM 2096 CD1 LEU B 76 -1.409 9.739 -5.350 1.00 0.00 C ATOM 2097 CD2 LEU B 76 -2.396 7.514 -5.764 1.00 0.00 C ATOM 0 H LEU B 76 -0.830 8.942 -8.972 1.00 0.00 H new ATOM 0 HA LEU B 76 -3.258 7.526 -8.391 1.00 0.00 H new ATOM 0 HB2 LEU B 76 -2.298 10.316 -7.710 1.00 0.00 H new ATOM 0 HB3 LEU B 76 -3.659 9.503 -6.965 1.00 0.00 H new ATOM 0 HG LEU B 76 -0.850 8.418 -6.912 1.00 0.00 H new ATOM 0 HD11 LEU B 76 -0.741 9.283 -4.619 1.00 0.00 H new ATOM 0 HD12 LEU B 76 -0.912 10.591 -5.814 1.00 0.00 H new ATOM 0 HD13 LEU B 76 -2.317 10.077 -4.851 1.00 0.00 H new ATOM 0 HD21 LEU B 76 -1.712 7.091 -5.029 1.00 0.00 H new ATOM 0 HD22 LEU B 76 -3.324 7.804 -5.271 1.00 0.00 H new ATOM 0 HD23 LEU B 76 -2.610 6.770 -6.531 1.00 0.00 H new ATOM 2109 N ASP B 77 -3.325 9.864 -10.572 1.00 0.00 N ATOM 2110 CA ASP B 77 -4.084 10.590 -11.570 1.00 0.00 C ATOM 2111 C ASP B 77 -4.838 9.642 -12.495 1.00 0.00 C ATOM 2112 O ASP B 77 -5.888 9.981 -13.033 1.00 0.00 O ATOM 2113 CB ASP B 77 -3.127 11.464 -12.389 1.00 0.00 C ATOM 2114 CG ASP B 77 -3.818 12.226 -13.490 1.00 0.00 C ATOM 2115 OD1 ASP B 77 -4.471 13.240 -13.198 1.00 0.00 O ATOM 2116 OD2 ASP B 77 -3.692 11.845 -14.670 1.00 0.00 O ATOM 0 H ASP B 77 -2.316 9.950 -10.692 1.00 0.00 H new ATOM 0 HA ASP B 77 -4.820 11.213 -11.061 1.00 0.00 H new ATOM 0 HB2 ASP B 77 -2.630 12.170 -11.724 1.00 0.00 H new ATOM 0 HB3 ASP B 77 -2.351 10.834 -12.823 1.00 0.00 H new ATOM 2121 N GLU B 78 -4.319 8.452 -12.658 1.00 0.00 N ATOM 2122 CA GLU B 78 -4.922 7.495 -13.556 1.00 0.00 C ATOM 2123 C GLU B 78 -5.602 6.359 -12.812 1.00 0.00 C ATOM 2124 O GLU B 78 -6.033 5.382 -13.431 1.00 0.00 O ATOM 2125 CB GLU B 78 -3.887 6.952 -14.507 1.00 0.00 C ATOM 2126 CG GLU B 78 -2.784 6.198 -13.823 1.00 0.00 C ATOM 2127 CD GLU B 78 -1.737 5.774 -14.779 1.00 0.00 C ATOM 2128 OE1 GLU B 78 -1.975 4.847 -15.574 1.00 0.00 O ATOM 2129 OE2 GLU B 78 -0.657 6.380 -14.765 1.00 0.00 O ATOM 0 H GLU B 78 -3.480 8.121 -12.182 1.00 0.00 H new ATOM 0 HA GLU B 78 -5.693 8.019 -14.121 1.00 0.00 H new ATOM 0 HB2 GLU B 78 -4.375 6.294 -15.226 1.00 0.00 H new ATOM 0 HB3 GLU B 78 -3.456 7.778 -15.073 1.00 0.00 H new ATOM 0 HG2 GLU B 78 -2.339 6.825 -13.050 1.00 0.00 H new ATOM 0 HG3 GLU B 78 -3.197 5.322 -13.324 1.00 0.00 H new ATOM 2136 N LEU B 79 -5.665 6.446 -11.504 1.00 0.00 N ATOM 2137 CA LEU B 79 -6.380 5.436 -10.750 1.00 0.00 C ATOM 2138 C LEU B 79 -7.861 5.780 -10.714 1.00 0.00 C ATOM 2139 O LEU B 79 -8.290 6.493 -9.799 1.00 0.00 O ATOM 2140 CB LEU B 79 -5.829 5.290 -9.332 1.00 0.00 C ATOM 2141 CG LEU B 79 -4.356 4.919 -9.207 1.00 0.00 C ATOM 2142 CD1 LEU B 79 -3.988 4.730 -7.754 1.00 0.00 C ATOM 2143 CD2 LEU B 79 -4.032 3.669 -10.009 1.00 0.00 C ATOM 2144 OXT LEU B 79 -8.597 5.381 -11.644 1.00 0.00 O ATOM 0 H LEU B 79 -5.241 7.188 -10.947 1.00 0.00 H new ATOM 0 HA LEU B 79 -6.241 4.477 -11.250 1.00 0.00 H new ATOM 0 HB2 LEU B 79 -5.989 6.231 -8.806 1.00 0.00 H new ATOM 0 HB3 LEU B 79 -6.416 4.531 -8.815 1.00 0.00 H new ATOM 0 HG LEU B 79 -3.764 5.737 -9.616 1.00 0.00 H new ATOM 0 HD11 LEU B 79 -2.933 4.465 -7.677 1.00 0.00 H new ATOM 0 HD12 LEU B 79 -4.170 5.656 -7.209 1.00 0.00 H new ATOM 0 HD13 LEU B 79 -4.595 3.932 -7.326 1.00 0.00 H new ATOM 0 HD21 LEU B 79 -2.974 3.430 -9.899 1.00 0.00 H new ATOM 0 HD22 LEU B 79 -4.632 2.836 -9.642 1.00 0.00 H new ATOM 0 HD23 LEU B 79 -4.258 3.843 -11.061 1.00 0.00 H new