USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 522 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 MET CE :methyl -171:sc= 0 (180deg=-0.194) USER MOD Set 1.2: A 46 SER OG : rot 180:sc= 0.00948 USER MOD Set 2.1: A 7 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 8 LYS NZ :NH3+ -129:sc= 0.652 (180deg=-0.515) USER MOD Single : A 1 ALA N :NH3+ 139:sc= 0.0315 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 164:sc= -0.0367 (180deg=-0.325) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -1.46 K(o=-1.5,f=-3) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 162:sc= -0.0673 (180deg=-0.491) USER MOD Single : A 20 LYS NZ :NH3+ -108:sc= -0.613 (180deg=-2.86!) USER MOD Single : A 21 LYS NZ :NH3+ -165:sc= -0.0459 (180deg=-0.367) USER MOD Single : A 27 LYS NZ :NH3+ -150:sc= -0.155 (180deg=-0.811) USER MOD Single : A 30 SER OG : rot 122:sc= 0.79 USER MOD Single : A 32 THR OG1 : rot 59:sc= 0.998 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 139:sc= -0.144 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -164:sc= -0.0281 (180deg=-0.357) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 MET CE :methyl 161:sc= -0.0303 (180deg=-0.422) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.64 X(o=-0.64,f=-0.72) USER MOD Single : A 62 LYS NZ :NH3+ 166:sc= -0.0318 (180deg=-0.331) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.272 0.969 8.829 1.00 0.00 N ATOM 2 CA ALA A 1 1.198 1.798 8.262 1.00 0.00 C ATOM 3 C ALA A 1 0.156 0.896 7.618 1.00 0.00 C ATOM 4 O ALA A 1 0.471 -0.131 7.019 1.00 0.00 O ATOM 5 CB ALA A 1 1.789 2.745 7.222 1.00 0.00 C ATOM 0 H1 ALA A 1 3.192 1.414 8.637 1.00 0.00 H new ATOM 0 H2 ALA A 1 2.137 0.882 9.857 1.00 0.00 H new ATOM 0 H3 ALA A 1 2.247 0.024 8.395 1.00 0.00 H new ATOM 0 HA ALA A 1 0.724 2.385 9.049 1.00 0.00 H new ATOM 0 HB1 ALA A 1 0.996 3.362 6.799 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.534 3.386 7.695 1.00 0.00 H new ATOM 0 HB3 ALA A 1 2.260 2.165 6.428 1.00 0.00 H new ATOM 13 N THR A 2 -1.102 1.280 7.741 1.00 0.00 N ATOM 14 CA THR A 2 -2.155 0.472 7.130 1.00 0.00 C ATOM 15 C THR A 2 -3.011 1.369 6.250 1.00 0.00 C ATOM 16 O THR A 2 -3.142 2.569 6.483 1.00 0.00 O ATOM 17 CB THR A 2 -3.014 -0.163 8.220 1.00 0.00 C ATOM 18 OG1 THR A 2 -3.521 0.855 9.071 1.00 0.00 O ATOM 19 CG2 THR A 2 -2.195 -1.151 9.047 1.00 0.00 C ATOM 0 H THR A 2 -1.417 2.113 8.238 1.00 0.00 H new ATOM 0 HA THR A 2 -1.713 -0.321 6.526 1.00 0.00 H new ATOM 0 HB THR A 2 -3.836 -0.701 7.748 1.00 0.00 H new ATOM 0 HG1 THR A 2 -4.075 0.450 9.771 1.00 0.00 H new ATOM 0 HG21 THR A 2 -2.827 -1.592 9.818 1.00 0.00 H new ATOM 0 HG22 THR A 2 -1.812 -1.938 8.398 1.00 0.00 H new ATOM 0 HG23 THR A 2 -1.361 -0.629 9.516 1.00 0.00 H new ATOM 27 N VAL A 3 -3.601 0.784 5.222 1.00 0.00 N ATOM 28 CA VAL A 3 -4.434 1.586 4.330 1.00 0.00 C ATOM 29 C VAL A 3 -5.841 1.008 4.339 1.00 0.00 C ATOM 30 O VAL A 3 -6.049 -0.188 4.143 1.00 0.00 O ATOM 31 CB VAL A 3 -3.842 1.544 2.921 1.00 0.00 C ATOM 32 CG1 VAL A 3 -4.729 2.312 1.944 1.00 0.00 C ATOM 33 CG2 VAL A 3 -2.449 2.168 2.930 1.00 0.00 C ATOM 0 H VAL A 3 -3.527 -0.205 4.986 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.469 2.624 4.661 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.780 0.503 2.602 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.292 2.271 0.946 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.722 1.863 1.924 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.807 3.351 2.263 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.030 2.137 1.924 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.516 3.204 3.263 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.805 1.610 3.609 1.00 0.00 H new ATOM 43 N LYS A 4 -6.824 1.858 4.577 1.00 0.00 N ATOM 44 CA LYS A 4 -8.196 1.358 4.610 1.00 0.00 C ATOM 45 C LYS A 4 -8.799 1.449 3.216 1.00 0.00 C ATOM 46 O LYS A 4 -9.022 2.533 2.678 1.00 0.00 O ATOM 47 CB LYS A 4 -9.014 2.197 5.588 1.00 0.00 C ATOM 48 CG LYS A 4 -8.501 2.020 7.015 1.00 0.00 C ATOM 49 CD LYS A 4 -9.313 2.884 7.976 1.00 0.00 C ATOM 50 CE LYS A 4 -8.856 2.687 9.420 1.00 0.00 C ATOM 51 NZ LYS A 4 -7.446 3.079 9.562 1.00 0.00 N ATOM 0 H LYS A 4 -6.713 2.858 4.745 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.204 0.318 4.936 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.961 3.248 5.305 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -10.063 1.906 5.535 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.572 0.972 7.308 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -7.448 2.295 7.068 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.211 3.933 7.700 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.370 2.633 7.889 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -9.476 3.282 10.090 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.983 1.644 9.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -7.220 3.203 10.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -6.837 2.338 9.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -7.282 3.974 9.058 1.00 0.00 H new ATOM 65 N PHE A 5 -9.073 0.301 2.623 1.00 0.00 N ATOM 66 CA PHE A 5 -9.673 0.315 1.291 1.00 0.00 C ATOM 67 C PHE A 5 -11.173 0.109 1.419 1.00 0.00 C ATOM 68 O PHE A 5 -11.659 -1.002 1.626 1.00 0.00 O ATOM 69 CB PHE A 5 -9.059 -0.806 0.457 1.00 0.00 C ATOM 70 CG PHE A 5 -9.676 -0.841 -0.920 1.00 0.00 C ATOM 71 CD1 PHE A 5 -9.561 0.219 -1.732 1.00 0.00 C ATOM 72 CD2 PHE A 5 -10.341 -1.931 -1.330 1.00 0.00 C ATOM 73 CE1 PHE A 5 -10.112 0.190 -2.953 1.00 0.00 C ATOM 74 CE2 PHE A 5 -10.891 -1.959 -2.551 1.00 0.00 C ATOM 75 CZ PHE A 5 -10.778 -0.899 -3.363 1.00 0.00 C ATOM 0 H PHE A 5 -8.900 -0.623 3.019 1.00 0.00 H new ATOM 0 HA PHE A 5 -9.484 1.271 0.803 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -7.982 -0.658 0.375 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -9.213 -1.763 0.955 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -9.024 1.096 -1.402 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -10.433 -2.786 -0.676 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -10.020 1.044 -3.607 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -11.426 -2.837 -2.881 1.00 0.00 H new ATOM 0 HZ PHE A 5 -11.223 -0.922 -4.347 1.00 0.00 H new ATOM 85 N LYS A 6 -11.927 1.187 1.301 1.00 0.00 N ATOM 86 CA LYS A 6 -13.374 1.059 1.458 1.00 0.00 C ATOM 87 C LYS A 6 -14.007 0.732 0.116 1.00 0.00 C ATOM 88 O LYS A 6 -13.611 1.245 -0.929 1.00 0.00 O ATOM 89 CB LYS A 6 -13.932 2.376 1.993 1.00 0.00 C ATOM 90 CG LYS A 6 -15.453 2.308 2.115 1.00 0.00 C ATOM 91 CD LYS A 6 -16.041 3.646 2.562 1.00 0.00 C ATOM 92 CE LYS A 6 -15.627 3.998 3.990 1.00 0.00 C ATOM 93 NZ LYS A 6 -16.273 5.254 4.395 1.00 0.00 N ATOM 0 H LYS A 6 -11.585 2.128 1.105 1.00 0.00 H new ATOM 0 HA LYS A 6 -13.602 0.255 2.158 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -13.493 2.594 2.967 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -13.652 3.193 1.328 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -15.883 2.023 1.155 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -15.727 1.532 2.830 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -15.712 4.433 1.883 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -17.128 3.605 2.498 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -15.911 3.195 4.670 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -14.543 4.098 4.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -15.990 5.492 5.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -15.981 6.018 3.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -17.306 5.142 4.353 1.00 0.00 H new ATOM 107 N TYR A 7 -15.013 -0.126 0.141 1.00 0.00 N ATOM 108 CA TYR A 7 -15.694 -0.462 -1.107 1.00 0.00 C ATOM 109 C TYR A 7 -17.189 -0.238 -0.918 1.00 0.00 C ATOM 110 O TYR A 7 -18.027 -0.738 -1.666 1.00 0.00 O ATOM 111 CB TYR A 7 -15.393 -1.919 -1.456 1.00 0.00 C ATOM 112 CG TYR A 7 -16.004 -2.300 -2.785 1.00 0.00 C ATOM 113 CD1 TYR A 7 -15.544 -1.755 -3.920 1.00 0.00 C ATOM 114 CD2 TYR A 7 -17.015 -3.180 -2.829 1.00 0.00 C ATOM 115 CE1 TYR A 7 -16.097 -2.085 -5.096 1.00 0.00 C ATOM 116 CE2 TYR A 7 -17.570 -3.507 -4.004 1.00 0.00 C ATOM 117 CZ TYR A 7 -17.111 -2.959 -5.137 1.00 0.00 C ATOM 118 OH TYR A 7 -17.682 -3.289 -6.337 1.00 0.00 O ATOM 0 H TYR A 7 -15.370 -0.590 0.976 1.00 0.00 H new ATOM 0 HA TYR A 7 -15.346 0.168 -1.926 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -14.314 -2.072 -1.491 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -15.782 -2.571 -0.674 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -14.727 -1.049 -3.887 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -17.382 -3.626 -1.916 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -15.725 -1.646 -6.010 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -18.387 -4.212 -4.038 1.00 0.00 H new ATOM 0 HH TYR A 7 -18.403 -3.936 -6.189 1.00 0.00 H new ATOM 128 N LYS A 8 -17.539 0.534 0.096 1.00 0.00 N ATOM 129 CA LYS A 8 -18.959 0.747 0.373 1.00 0.00 C ATOM 130 C LYS A 8 -19.649 -0.572 0.692 1.00 0.00 C ATOM 131 O LYS A 8 -20.851 -0.737 0.487 1.00 0.00 O ATOM 132 CB LYS A 8 -19.606 1.382 -0.855 1.00 0.00 C ATOM 133 CG LYS A 8 -19.488 0.444 -2.054 1.00 0.00 C ATOM 134 CD LYS A 8 -20.130 1.068 -3.290 1.00 0.00 C ATOM 135 CE LYS A 8 -20.060 0.108 -4.475 1.00 0.00 C ATOM 136 NZ LYS A 8 -18.659 -0.166 -4.821 1.00 0.00 N ATOM 0 H LYS A 8 -16.891 1.010 0.724 1.00 0.00 H new ATOM 0 HA LYS A 8 -19.062 1.403 1.237 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -20.655 1.596 -0.653 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -19.124 2.333 -1.079 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -18.438 0.229 -2.252 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -19.971 -0.507 -1.828 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -21.170 1.319 -3.079 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -19.622 2.000 -3.539 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -20.571 -0.823 -4.229 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -20.577 0.538 -5.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -18.516 -0.010 -5.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -18.038 0.471 -4.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -18.430 -1.153 -4.587 1.00 0.00 H new ATOM 150 N GLY A 9 -18.892 -1.526 1.204 1.00 0.00 N ATOM 151 CA GLY A 9 -19.505 -2.800 1.569 1.00 0.00 C ATOM 152 C GLY A 9 -18.768 -3.402 2.756 1.00 0.00 C ATOM 153 O GLY A 9 -19.363 -3.783 3.763 1.00 0.00 O ATOM 0 H GLY A 9 -17.889 -1.454 1.374 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -20.556 -2.651 1.818 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -19.473 -3.486 0.723 1.00 0.00 H new ATOM 157 N GLU A 10 -17.454 -3.480 2.647 1.00 0.00 N ATOM 158 CA GLU A 10 -16.680 -4.021 3.760 1.00 0.00 C ATOM 159 C GLU A 10 -15.320 -3.339 3.770 1.00 0.00 C ATOM 160 O GLU A 10 -14.686 -3.148 2.734 1.00 0.00 O ATOM 161 CB GLU A 10 -16.533 -5.530 3.576 1.00 0.00 C ATOM 162 CG GLU A 10 -15.780 -6.160 4.745 1.00 0.00 C ATOM 163 CD GLU A 10 -15.681 -7.666 4.567 1.00 0.00 C ATOM 164 OE1 GLU A 10 -16.701 -8.363 4.761 1.00 0.00 O ATOM 165 OE2 GLU A 10 -14.585 -8.163 4.231 1.00 0.00 O ATOM 0 H GLU A 10 -16.912 -3.189 1.833 1.00 0.00 H new ATOM 0 HA GLU A 10 -17.179 -3.837 4.711 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -17.519 -5.986 3.488 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -16.003 -5.735 2.646 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -14.781 -5.730 4.815 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -16.292 -5.932 5.680 1.00 0.00 H new ATOM 172 N GLU A 11 -14.862 -2.953 4.947 1.00 0.00 N ATOM 173 CA GLU A 11 -13.568 -2.278 5.009 1.00 0.00 C ATOM 174 C GLU A 11 -12.456 -3.315 4.976 1.00 0.00 C ATOM 175 O GLU A 11 -12.149 -3.965 5.973 1.00 0.00 O ATOM 176 CB GLU A 11 -13.487 -1.457 6.294 1.00 0.00 C ATOM 177 CG GLU A 11 -14.560 -0.370 6.310 1.00 0.00 C ATOM 178 CD GLU A 11 -14.454 0.465 7.575 1.00 0.00 C ATOM 179 OE1 GLU A 11 -13.507 1.273 7.686 1.00 0.00 O ATOM 180 OE2 GLU A 11 -15.318 0.319 8.467 1.00 0.00 O ATOM 0 H GLU A 11 -15.338 -3.085 5.840 1.00 0.00 H new ATOM 0 HA GLU A 11 -13.456 -1.611 4.154 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.612 -2.111 7.157 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -12.500 -1.002 6.379 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -14.450 0.270 5.435 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -15.548 -0.826 6.250 1.00 0.00 H new ATOM 187 N LEU A 12 -11.838 -3.473 3.819 1.00 0.00 N ATOM 188 CA LEU A 12 -10.749 -4.443 3.727 1.00 0.00 C ATOM 189 C LEU A 12 -9.448 -3.727 4.050 1.00 0.00 C ATOM 190 O LEU A 12 -8.957 -2.899 3.284 1.00 0.00 O ATOM 191 CB LEU A 12 -10.664 -5.038 2.320 1.00 0.00 C ATOM 192 CG LEU A 12 -11.660 -6.177 2.087 1.00 0.00 C ATOM 193 CD1 LEU A 12 -13.103 -5.684 2.018 1.00 0.00 C ATOM 194 CD2 LEU A 12 -11.316 -6.866 0.769 1.00 0.00 C ATOM 0 H LEU A 12 -12.055 -2.968 2.960 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.930 -5.257 4.429 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.844 -4.251 1.588 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.653 -5.407 2.149 1.00 0.00 H new ATOM 0 HG LEU A 12 -11.583 -6.863 2.930 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -13.769 -6.531 1.852 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -13.366 -5.195 2.956 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -13.206 -4.974 1.197 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.018 -7.680 0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.381 -6.145 -0.046 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.303 -7.265 0.821 1.00 0.00 H new ATOM 206 N GLN A 13 -8.874 -4.041 5.196 1.00 0.00 N ATOM 207 CA GLN A 13 -7.624 -3.381 5.563 1.00 0.00 C ATOM 208 C GLN A 13 -6.474 -4.103 4.880 1.00 0.00 C ATOM 209 O GLN A 13 -6.074 -5.199 5.272 1.00 0.00 O ATOM 210 CB GLN A 13 -7.418 -3.415 7.078 1.00 0.00 C ATOM 211 CG GLN A 13 -8.377 -2.483 7.822 1.00 0.00 C ATOM 212 CD GLN A 13 -9.819 -2.967 7.781 1.00 0.00 C ATOM 213 OE1 GLN A 13 -10.731 -2.241 7.388 1.00 0.00 O ATOM 214 NE2 GLN A 13 -10.047 -4.203 8.191 1.00 0.00 N ATOM 0 H GLN A 13 -9.230 -4.720 5.869 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.663 -2.339 5.245 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.556 -4.435 7.437 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.391 -3.132 7.308 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -8.058 -2.394 8.860 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -8.320 -1.486 7.385 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.273 -4.785 8.512 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.997 -4.575 8.186 1.00 0.00 H new ATOM 223 N VAL A 14 -5.924 -3.487 3.850 1.00 0.00 N ATOM 224 CA VAL A 14 -4.799 -4.122 3.170 1.00 0.00 C ATOM 225 C VAL A 14 -3.524 -3.832 3.946 1.00 0.00 C ATOM 226 O VAL A 14 -3.523 -3.093 4.930 1.00 0.00 O ATOM 227 CB VAL A 14 -4.697 -3.592 1.740 1.00 0.00 C ATOM 228 CG1 VAL A 14 -5.963 -3.946 0.963 1.00 0.00 C ATOM 229 CG2 VAL A 14 -4.503 -2.077 1.736 1.00 0.00 C ATOM 0 H VAL A 14 -6.218 -2.586 3.474 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.948 -5.201 3.125 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.833 -4.056 1.264 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.883 -3.565 -0.055 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.083 -5.029 0.937 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -6.827 -3.497 1.452 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.433 -1.722 0.708 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.351 -1.600 2.228 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.586 -1.826 2.270 1.00 0.00 H new ATOM 239 N ASP A 15 -2.424 -4.419 3.508 1.00 0.00 N ATOM 240 CA ASP A 15 -1.170 -4.205 4.227 1.00 0.00 C ATOM 241 C ASP A 15 -0.189 -3.484 3.314 1.00 0.00 C ATOM 242 O ASP A 15 -0.134 -3.723 2.109 1.00 0.00 O ATOM 243 CB ASP A 15 -0.610 -5.561 4.649 1.00 0.00 C ATOM 244 CG ASP A 15 0.679 -5.401 5.438 1.00 0.00 C ATOM 245 OD1 ASP A 15 0.811 -4.404 6.181 1.00 0.00 O ATOM 246 OD2 ASP A 15 1.569 -6.271 5.321 1.00 0.00 O ATOM 0 H ASP A 15 -2.366 -5.026 2.690 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.337 -3.595 5.115 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -1.347 -6.089 5.254 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.425 -6.172 3.766 1.00 0.00 H new ATOM 251 N ILE A 16 0.601 -2.591 3.885 1.00 0.00 N ATOM 252 CA ILE A 16 1.549 -1.850 3.054 1.00 0.00 C ATOM 253 C ILE A 16 2.790 -2.697 2.797 1.00 0.00 C ATOM 254 O ILE A 16 3.578 -2.424 1.893 1.00 0.00 O ATOM 255 CB ILE A 16 1.906 -0.524 3.733 1.00 0.00 C ATOM 256 CG1 ILE A 16 2.703 0.344 2.759 1.00 0.00 C ATOM 257 CG2 ILE A 16 2.706 -0.759 5.014 1.00 0.00 C ATOM 258 CD1 ILE A 16 2.906 1.757 3.303 1.00 0.00 C ATOM 0 H ILE A 16 0.612 -2.363 4.879 1.00 0.00 H new ATOM 0 HA ILE A 16 1.093 -1.625 2.090 1.00 0.00 H new ATOM 0 HB ILE A 16 0.984 -0.011 4.008 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.673 -0.117 2.570 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.181 0.393 1.803 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.945 0.200 5.474 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.115 -1.357 5.707 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.629 -1.287 4.775 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.476 2.345 2.584 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.936 2.226 3.468 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.451 1.709 4.246 1.00 0.00 H new ATOM 270 N SER A 17 2.979 -3.739 3.589 1.00 0.00 N ATOM 271 CA SER A 17 4.182 -4.550 3.412 1.00 0.00 C ATOM 272 C SER A 17 3.862 -5.786 2.586 1.00 0.00 C ATOM 273 O SER A 17 4.725 -6.623 2.326 1.00 0.00 O ATOM 274 CB SER A 17 4.706 -4.964 4.784 1.00 0.00 C ATOM 275 OG SER A 17 5.005 -3.807 5.552 1.00 0.00 O ATOM 0 H SER A 17 2.348 -4.039 4.332 1.00 0.00 H new ATOM 0 HA SER A 17 4.940 -3.968 2.888 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.963 -5.572 5.299 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.599 -5.579 4.672 1.00 0.00 H new ATOM 0 HG SER A 17 5.340 -4.077 6.433 1.00 0.00 H new ATOM 281 N LYS A 18 2.616 -5.918 2.166 1.00 0.00 N ATOM 282 CA LYS A 18 2.258 -7.100 1.384 1.00 0.00 C ATOM 283 C LYS A 18 2.085 -6.716 -0.077 1.00 0.00 C ATOM 284 O LYS A 18 1.640 -7.514 -0.900 1.00 0.00 O ATOM 285 CB LYS A 18 0.956 -7.690 1.917 1.00 0.00 C ATOM 286 CG LYS A 18 1.128 -8.164 3.359 1.00 0.00 C ATOM 287 CD LYS A 18 -0.188 -8.683 3.938 1.00 0.00 C ATOM 288 CE LYS A 18 -0.670 -9.949 3.232 1.00 0.00 C ATOM 289 NZ LYS A 18 0.338 -11.013 3.357 1.00 0.00 N ATOM 0 H LYS A 18 1.860 -5.256 2.340 1.00 0.00 H new ATOM 0 HA LYS A 18 3.052 -7.842 1.468 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.165 -6.942 1.867 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.646 -8.525 1.289 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.880 -8.953 3.397 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.497 -7.342 3.972 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.059 -8.888 5.001 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.951 -7.909 3.853 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.614 -10.279 3.665 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.859 -9.738 2.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.102 -11.934 3.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.109 -10.842 2.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.721 -11.017 4.324 1.00 0.00 H new ATOM 303 N ILE A 19 2.432 -5.488 -0.418 1.00 0.00 N ATOM 304 CA ILE A 19 2.262 -5.074 -1.808 1.00 0.00 C ATOM 305 C ILE A 19 3.547 -5.360 -2.569 1.00 0.00 C ATOM 306 O ILE A 19 4.390 -4.486 -2.767 1.00 0.00 O ATOM 307 CB ILE A 19 1.922 -3.585 -1.872 1.00 0.00 C ATOM 308 CG1 ILE A 19 0.667 -3.315 -1.038 1.00 0.00 C ATOM 309 CG2 ILE A 19 1.696 -3.186 -3.330 1.00 0.00 C ATOM 310 CD1 ILE A 19 0.234 -1.849 -1.083 1.00 0.00 C ATOM 0 H ILE A 19 2.817 -4.784 0.212 1.00 0.00 H new ATOM 0 HA ILE A 19 1.443 -5.631 -2.262 1.00 0.00 H new ATOM 0 HB ILE A 19 2.743 -2.994 -1.467 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.148 -3.942 -1.401 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.854 -3.603 -0.004 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.453 -2.125 -3.383 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.601 -3.380 -3.905 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.872 -3.768 -3.743 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.660 -1.715 -0.475 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.035 -1.221 -0.694 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.018 -1.565 -2.113 1.00 0.00 H new ATOM 322 N LYS A 20 3.706 -6.594 -3.011 1.00 0.00 N ATOM 323 CA LYS A 20 4.894 -6.908 -3.801 1.00 0.00 C ATOM 324 C LYS A 20 4.589 -6.634 -5.266 1.00 0.00 C ATOM 325 O LYS A 20 3.511 -6.940 -5.773 1.00 0.00 O ATOM 326 CB LYS A 20 5.282 -8.370 -3.585 1.00 0.00 C ATOM 327 CG LYS A 20 4.135 -9.306 -3.963 1.00 0.00 C ATOM 328 CD LYS A 20 4.425 -10.771 -3.622 1.00 0.00 C ATOM 329 CE LYS A 20 5.465 -11.412 -4.544 1.00 0.00 C ATOM 330 NZ LYS A 20 6.832 -11.002 -4.187 1.00 0.00 N ATOM 0 H LYS A 20 3.062 -7.368 -2.849 1.00 0.00 H new ATOM 0 HA LYS A 20 5.734 -6.287 -3.490 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.162 -8.608 -4.183 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.554 -8.527 -2.541 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.229 -8.990 -3.446 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.939 -9.219 -5.032 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.775 -10.835 -2.592 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.498 -11.341 -3.680 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.383 -12.497 -4.486 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.258 -11.131 -5.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.198 -10.348 -4.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.821 -10.526 -3.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.444 -11.841 -4.138 1.00 0.00 H new ATOM 344 N LYS A 21 5.538 -6.039 -5.962 1.00 0.00 N ATOM 345 CA LYS A 21 5.280 -5.718 -7.363 1.00 0.00 C ATOM 346 C LYS A 21 4.321 -4.541 -7.428 1.00 0.00 C ATOM 347 O LYS A 21 3.175 -4.614 -6.987 1.00 0.00 O ATOM 348 CB LYS A 21 4.669 -6.931 -8.063 1.00 0.00 C ATOM 349 CG LYS A 21 5.585 -8.154 -8.012 1.00 0.00 C ATOM 350 CD LYS A 21 6.875 -7.924 -8.800 1.00 0.00 C ATOM 351 CE LYS A 21 7.722 -9.195 -8.829 1.00 0.00 C ATOM 352 NZ LYS A 21 8.114 -9.571 -7.462 1.00 0.00 N ATOM 0 H LYS A 21 6.457 -5.775 -5.607 1.00 0.00 H new ATOM 0 HA LYS A 21 6.212 -5.457 -7.863 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.715 -7.175 -7.596 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.460 -6.680 -9.103 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.828 -8.385 -6.975 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.060 -9.020 -8.416 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.636 -7.617 -9.818 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.444 -7.112 -8.347 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.159 -10.006 -9.291 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.611 -9.036 -9.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.884 -10.269 -7.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.439 -8.726 -6.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.297 -9.983 -6.968 1.00 0.00 H new ATOM 366 N VAL A 22 4.791 -3.436 -7.980 1.00 0.00 N ATOM 367 CA VAL A 22 3.925 -2.263 -8.067 1.00 0.00 C ATOM 368 C VAL A 22 4.172 -1.577 -9.402 1.00 0.00 C ATOM 369 O VAL A 22 5.303 -1.447 -9.866 1.00 0.00 O ATOM 370 CB VAL A 22 4.221 -1.333 -6.888 1.00 0.00 C ATOM 371 CG1 VAL A 22 5.672 -0.855 -6.916 1.00 0.00 C ATOM 372 CG2 VAL A 22 3.292 -0.122 -6.910 1.00 0.00 C ATOM 0 H VAL A 22 5.730 -3.321 -8.363 1.00 0.00 H new ATOM 0 HA VAL A 22 2.874 -2.546 -8.014 1.00 0.00 H new ATOM 0 HB VAL A 22 4.053 -1.901 -5.973 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.854 -0.196 -6.067 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.339 -1.715 -6.858 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.859 -0.313 -7.843 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.519 0.526 -6.064 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.436 0.430 -7.839 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.257 -0.456 -6.843 1.00 0.00 H new ATOM 382 N TRP A 23 3.101 -1.145 -10.045 1.00 0.00 N ATOM 383 CA TRP A 23 3.272 -0.504 -11.346 1.00 0.00 C ATOM 384 C TRP A 23 2.169 0.525 -11.537 1.00 0.00 C ATOM 385 O TRP A 23 0.988 0.258 -11.319 1.00 0.00 O ATOM 386 CB TRP A 23 3.229 -1.565 -12.447 1.00 0.00 C ATOM 387 CG TRP A 23 1.880 -2.246 -12.520 1.00 0.00 C ATOM 388 CD1 TRP A 23 0.815 -1.893 -13.352 1.00 0.00 C ATOM 389 CD2 TRP A 23 1.457 -3.343 -11.813 1.00 0.00 C ATOM 390 NE1 TRP A 23 -0.264 -2.762 -13.159 1.00 0.00 N ATOM 391 CE2 TRP A 23 0.194 -3.642 -12.190 1.00 0.00 C ATOM 392 CE3 TRP A 23 2.105 -4.058 -10.899 1.00 0.00 C ATOM 393 CZ2 TRP A 23 -0.456 -4.671 -11.651 1.00 0.00 C ATOM 394 CZ3 TRP A 23 1.451 -5.096 -10.347 1.00 0.00 C ATOM 395 CH2 TRP A 23 0.187 -5.398 -10.718 1.00 0.00 C ATOM 0 H TRP A 23 2.140 -1.219 -9.710 1.00 0.00 H new ATOM 0 HA TRP A 23 4.237 0.001 -11.396 1.00 0.00 H new ATOM 0 HB2 TRP A 23 3.454 -1.101 -13.407 1.00 0.00 H new ATOM 0 HB3 TRP A 23 4.003 -2.310 -12.264 1.00 0.00 H new ATOM 0 HD1 TRP A 23 0.823 -1.066 -14.046 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -1.173 -2.751 -13.622 1.00 0.00 H new ATOM 0 HE3 TRP A 23 3.117 -3.815 -10.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -1.464 -4.914 -11.952 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 1.943 -5.697 -9.596 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -0.316 -6.236 -10.258 1.00 0.00 H new ATOM 406 N ARG A 24 2.552 1.724 -11.936 1.00 0.00 N ATOM 407 CA ARG A 24 1.542 2.767 -12.112 1.00 0.00 C ATOM 408 C ARG A 24 1.308 2.998 -13.596 1.00 0.00 C ATOM 409 O ARG A 24 2.231 3.006 -14.408 1.00 0.00 O ATOM 410 CB ARG A 24 2.017 4.049 -11.429 1.00 0.00 C ATOM 411 CG ARG A 24 3.353 4.518 -12.006 1.00 0.00 C ATOM 412 CD ARG A 24 3.881 5.736 -11.249 1.00 0.00 C ATOM 413 NE ARG A 24 2.932 6.840 -11.355 1.00 0.00 N ATOM 414 CZ ARG A 24 3.209 7.981 -10.750 1.00 0.00 C ATOM 415 NH1 ARG A 24 4.329 8.112 -10.063 1.00 0.00 N ATOM 416 NH2 ARG A 24 2.365 8.993 -10.832 1.00 0.00 N ATOM 0 H ARG A 24 3.513 2.000 -12.139 1.00 0.00 H new ATOM 0 HA ARG A 24 0.601 2.459 -11.658 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.268 4.831 -11.556 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.120 3.877 -10.358 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.081 3.708 -11.951 1.00 0.00 H new ATOM 0 HG3 ARG A 24 3.231 4.766 -13.060 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.040 5.482 -10.201 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.847 6.036 -11.655 1.00 0.00 H new ATOM 0 HE ARG A 24 2.069 6.732 -11.888 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.982 7.331 -9.999 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.541 8.994 -9.597 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.499 8.894 -11.362 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.579 9.874 -10.365 1.00 0.00 H new ATOM 430 N VAL A 25 0.053 3.189 -13.963 1.00 0.00 N ATOM 431 CA VAL A 25 -0.243 3.430 -15.372 1.00 0.00 C ATOM 432 C VAL A 25 -1.646 4.010 -15.480 1.00 0.00 C ATOM 433 O VAL A 25 -2.599 3.519 -14.877 1.00 0.00 O ATOM 434 CB VAL A 25 -0.100 2.124 -16.158 1.00 0.00 C ATOM 435 CG1 VAL A 25 -1.073 1.062 -15.649 1.00 0.00 C ATOM 436 CG2 VAL A 25 -0.351 2.370 -17.644 1.00 0.00 C ATOM 0 H VAL A 25 -0.752 3.184 -13.337 1.00 0.00 H new ATOM 0 HA VAL A 25 0.460 4.145 -15.800 1.00 0.00 H new ATOM 0 HB VAL A 25 0.918 1.761 -16.014 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.947 0.146 -16.227 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.871 0.858 -14.597 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.096 1.423 -15.759 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.246 1.433 -18.191 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.359 2.760 -17.783 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.373 3.093 -18.020 1.00 0.00 H new ATOM 446 N GLY A 26 -1.783 5.079 -16.242 1.00 0.00 N ATOM 447 CA GLY A 26 -3.102 5.696 -16.360 1.00 0.00 C ATOM 448 C GLY A 26 -3.251 6.795 -15.320 1.00 0.00 C ATOM 449 O GLY A 26 -2.391 7.661 -15.171 1.00 0.00 O ATOM 0 H GLY A 26 -1.035 5.528 -16.771 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.232 6.109 -17.360 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.879 4.944 -16.222 1.00 0.00 H new ATOM 453 N LYS A 27 -4.353 6.769 -14.592 1.00 0.00 N ATOM 454 CA LYS A 27 -4.567 7.822 -13.601 1.00 0.00 C ATOM 455 C LYS A 27 -5.081 7.257 -12.280 1.00 0.00 C ATOM 456 O LYS A 27 -5.563 7.986 -11.416 1.00 0.00 O ATOM 457 CB LYS A 27 -5.469 8.921 -14.172 1.00 0.00 C ATOM 458 CG LYS A 27 -6.563 8.450 -15.136 1.00 0.00 C ATOM 459 CD LYS A 27 -7.719 7.719 -14.454 1.00 0.00 C ATOM 460 CE LYS A 27 -7.578 6.197 -14.508 1.00 0.00 C ATOM 461 NZ LYS A 27 -7.565 5.738 -15.904 1.00 0.00 N ATOM 0 H LYS A 27 -5.088 6.065 -14.657 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.606 8.283 -13.373 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.943 9.444 -13.341 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.842 9.647 -14.690 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.958 9.314 -15.671 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.118 7.790 -15.880 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.779 8.036 -13.413 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.656 8.009 -14.930 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.659 5.892 -14.009 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.403 5.729 -13.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.969 4.781 -15.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.130 6.387 -16.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.586 5.721 -16.255 1.00 0.00 H new ATOM 475 N MET A 28 -4.900 5.962 -12.077 1.00 0.00 N ATOM 476 CA MET A 28 -5.031 5.426 -10.721 1.00 0.00 C ATOM 477 C MET A 28 -3.868 4.469 -10.512 1.00 0.00 C ATOM 478 O MET A 28 -3.296 3.932 -11.459 1.00 0.00 O ATOM 479 CB MET A 28 -6.338 4.661 -10.509 1.00 0.00 C ATOM 480 CG MET A 28 -7.479 5.563 -10.036 1.00 0.00 C ATOM 481 SD MET A 28 -8.010 6.661 -11.354 1.00 0.00 S ATOM 482 CE MET A 28 -9.330 7.530 -10.495 1.00 0.00 C ATOM 0 H MET A 28 -4.670 5.280 -12.800 1.00 0.00 H new ATOM 0 HA MET A 28 -5.031 6.256 -10.014 1.00 0.00 H new ATOM 0 HB2 MET A 28 -6.626 4.176 -11.442 1.00 0.00 H new ATOM 0 HB3 MET A 28 -6.177 3.871 -9.776 1.00 0.00 H new ATOM 0 HG2 MET A 28 -8.319 4.952 -9.705 1.00 0.00 H new ATOM 0 HG3 MET A 28 -7.153 6.149 -9.177 1.00 0.00 H new ATOM 0 HE1 MET A 28 -9.884 8.143 -11.205 1.00 0.00 H new ATOM 0 HE2 MET A 28 -10.004 6.806 -10.037 1.00 0.00 H new ATOM 0 HE3 MET A 28 -8.902 8.168 -9.721 1.00 0.00 H new ATOM 492 N ILE A 29 -3.503 4.245 -9.262 1.00 0.00 N ATOM 493 CA ILE A 29 -2.375 3.352 -9.008 1.00 0.00 C ATOM 494 C ILE A 29 -2.895 1.934 -8.832 1.00 0.00 C ATOM 495 O ILE A 29 -3.750 1.657 -7.994 1.00 0.00 O ATOM 496 CB ILE A 29 -1.626 3.807 -7.753 1.00 0.00 C ATOM 497 CG1 ILE A 29 -1.102 5.230 -7.960 1.00 0.00 C ATOM 498 CG2 ILE A 29 -0.468 2.849 -7.477 1.00 0.00 C ATOM 499 CD1 ILE A 29 -0.437 5.780 -6.699 1.00 0.00 C ATOM 0 H ILE A 29 -3.946 4.647 -8.436 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.684 3.379 -9.851 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.301 3.801 -6.897 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.385 5.237 -8.781 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.926 5.882 -8.250 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.066 3.172 -6.583 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.857 1.843 -7.323 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.214 2.848 -8.327 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.079 6.792 -6.888 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.161 5.798 -5.884 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.404 5.143 -6.424 1.00 0.00 H new ATOM 511 N SER A 30 -2.365 1.020 -9.626 1.00 0.00 N ATOM 512 CA SER A 30 -2.790 -0.372 -9.491 1.00 0.00 C ATOM 513 C SER A 30 -1.687 -1.161 -8.806 1.00 0.00 C ATOM 514 O SER A 30 -0.517 -0.782 -8.821 1.00 0.00 O ATOM 515 CB SER A 30 -3.069 -0.946 -10.877 1.00 0.00 C ATOM 516 OG SER A 30 -1.894 -0.865 -11.672 1.00 0.00 O ATOM 0 H SER A 30 -1.666 1.200 -10.346 1.00 0.00 H new ATOM 0 HA SER A 30 -3.699 -0.434 -8.892 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.393 -1.983 -10.794 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.881 -0.396 -11.353 1.00 0.00 H new ATOM 0 HG SER A 30 -1.642 -1.762 -11.976 1.00 0.00 H new ATOM 522 N PHE A 31 -2.052 -2.271 -8.192 1.00 0.00 N ATOM 523 CA PHE A 31 -1.035 -3.060 -7.504 1.00 0.00 C ATOM 524 C PHE A 31 -1.591 -4.442 -7.205 1.00 0.00 C ATOM 525 O PHE A 31 -2.714 -4.781 -7.578 1.00 0.00 O ATOM 526 CB PHE A 31 -0.607 -2.349 -6.217 1.00 0.00 C ATOM 527 CG PHE A 31 -1.758 -2.179 -5.246 1.00 0.00 C ATOM 528 CD1 PHE A 31 -2.532 -1.087 -5.306 1.00 0.00 C ATOM 529 CD2 PHE A 31 -1.983 -3.102 -4.299 1.00 0.00 C ATOM 530 CE1 PHE A 31 -3.539 -0.926 -4.437 1.00 0.00 C ATOM 531 CE2 PHE A 31 -2.990 -2.942 -3.430 1.00 0.00 C ATOM 532 CZ PHE A 31 -3.771 -1.855 -3.499 1.00 0.00 C ATOM 0 H PHE A 31 -3.002 -2.640 -8.152 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.156 -3.167 -8.139 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.189 -2.918 -5.737 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.195 -1.371 -6.464 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.344 -0.334 -6.057 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.351 -3.976 -4.237 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.164 -0.047 -4.492 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.173 -3.690 -2.673 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.585 -1.728 -2.801 1.00 0.00 H new ATOM 542 N THR A 32 -0.804 -5.258 -6.526 1.00 0.00 N ATOM 543 CA THR A 32 -1.293 -6.595 -6.198 1.00 0.00 C ATOM 544 C THR A 32 -0.810 -6.990 -4.810 1.00 0.00 C ATOM 545 O THR A 32 0.384 -7.039 -4.518 1.00 0.00 O ATOM 546 CB THR A 32 -0.833 -7.597 -7.258 1.00 0.00 C ATOM 547 OG1 THR A 32 -1.272 -8.897 -6.890 1.00 0.00 O ATOM 548 CG2 THR A 32 0.688 -7.612 -7.409 1.00 0.00 C ATOM 0 H THR A 32 0.137 -5.037 -6.201 1.00 0.00 H new ATOM 0 HA THR A 32 -2.383 -6.596 -6.192 1.00 0.00 H new ATOM 0 HB THR A 32 -1.264 -7.295 -8.213 1.00 0.00 H new ATOM 0 HG1 THR A 32 -2.248 -8.901 -6.806 1.00 0.00 H new ATOM 0 HG21 THR A 32 0.971 -8.337 -8.172 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.034 -6.621 -7.704 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.145 -7.888 -6.459 1.00 0.00 H new ATOM 556 N TYR A 33 -1.756 -7.285 -3.936 1.00 0.00 N ATOM 557 CA TYR A 33 -1.372 -7.777 -2.615 1.00 0.00 C ATOM 558 C TYR A 33 -1.357 -9.295 -2.682 1.00 0.00 C ATOM 559 O TYR A 33 -1.509 -9.884 -3.750 1.00 0.00 O ATOM 560 CB TYR A 33 -2.354 -7.271 -1.557 1.00 0.00 C ATOM 561 CG TYR A 33 -3.770 -7.735 -1.818 1.00 0.00 C ATOM 562 CD1 TYR A 33 -4.574 -7.027 -2.626 1.00 0.00 C ATOM 563 CD2 TYR A 33 -4.238 -8.835 -1.212 1.00 0.00 C ATOM 564 CE1 TYR A 33 -5.835 -7.427 -2.838 1.00 0.00 C ATOM 565 CE2 TYR A 33 -5.499 -9.234 -1.422 1.00 0.00 C ATOM 566 CZ TYR A 33 -6.298 -8.531 -2.236 1.00 0.00 C ATOM 567 OH TYR A 33 -7.589 -8.938 -2.450 1.00 0.00 O ATOM 0 H TYR A 33 -2.759 -7.199 -4.101 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.385 -7.411 -2.332 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.036 -7.618 -0.574 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.330 -6.182 -1.534 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.204 -6.133 -3.106 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.597 -9.401 -0.553 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -6.478 -6.860 -3.494 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.872 -10.123 -0.935 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.763 -9.756 -1.939 1.00 0.00 H new ATOM 577 N ASP A 34 -1.166 -9.951 -1.552 1.00 0.00 N ATOM 578 CA ASP A 34 -1.111 -11.411 -1.596 1.00 0.00 C ATOM 579 C ASP A 34 -1.638 -11.992 -0.296 1.00 0.00 C ATOM 580 O ASP A 34 -1.123 -11.723 0.789 1.00 0.00 O ATOM 581 CB ASP A 34 0.337 -11.845 -1.808 1.00 0.00 C ATOM 582 CG ASP A 34 0.453 -13.362 -1.828 1.00 0.00 C ATOM 583 OD1 ASP A 34 0.469 -13.978 -0.741 1.00 0.00 O ATOM 584 OD2 ASP A 34 0.531 -13.945 -2.930 1.00 0.00 O ATOM 0 H ASP A 34 -1.051 -9.527 -0.631 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.730 -11.775 -2.416 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.710 -11.436 -2.747 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.962 -11.439 -1.013 1.00 0.00 H new ATOM 589 N GLU A 35 -2.662 -12.820 -0.400 1.00 0.00 N ATOM 590 CA GLU A 35 -3.165 -13.477 0.805 1.00 0.00 C ATOM 591 C GLU A 35 -3.381 -14.954 0.514 1.00 0.00 C ATOM 592 O GLU A 35 -4.234 -15.617 1.102 1.00 0.00 O ATOM 593 CB GLU A 35 -4.437 -12.776 1.290 1.00 0.00 C ATOM 594 CG GLU A 35 -5.524 -12.650 0.219 1.00 0.00 C ATOM 595 CD GLU A 35 -6.227 -13.969 -0.060 1.00 0.00 C ATOM 596 OE1 GLU A 35 -5.918 -14.720 -0.984 1.00 0.00 O ATOM 597 OE2 GLU A 35 -7.237 -14.209 0.834 1.00 0.00 O ATOM 0 H GLU A 35 -3.149 -13.051 -1.266 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.438 -13.403 1.614 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.841 -13.325 2.140 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.177 -11.780 1.648 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.259 -11.911 0.538 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.078 -12.278 -0.704 1.00 0.00 H new ATOM 605 N GLY A 36 -2.593 -15.488 -0.402 1.00 0.00 N ATOM 606 CA GLY A 36 -2.760 -16.900 -0.737 1.00 0.00 C ATOM 607 C GLY A 36 -1.606 -17.375 -1.606 1.00 0.00 C ATOM 608 O GLY A 36 -0.614 -17.919 -1.125 1.00 0.00 O ATOM 0 H GLY A 36 -1.859 -14.995 -0.911 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.806 -17.494 0.175 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.704 -17.047 -1.261 1.00 0.00 H new ATOM 612 N GLY A 37 -1.731 -17.181 -2.906 1.00 0.00 N ATOM 613 CA GLY A 37 -0.664 -17.639 -3.791 1.00 0.00 C ATOM 614 C GLY A 37 -0.993 -17.273 -5.229 1.00 0.00 C ATOM 615 O GLY A 37 -0.332 -16.444 -5.854 1.00 0.00 O ATOM 0 H GLY A 37 -2.523 -16.730 -3.363 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.283 -17.185 -3.499 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.542 -18.718 -3.700 1.00 0.00 H new ATOM 619 N GLY A 38 -2.035 -17.882 -5.765 1.00 0.00 N ATOM 620 CA GLY A 38 -2.435 -17.532 -7.126 1.00 0.00 C ATOM 621 C GLY A 38 -3.372 -16.334 -7.087 1.00 0.00 C ATOM 622 O GLY A 38 -3.627 -15.675 -8.094 1.00 0.00 O ATOM 0 H GLY A 38 -2.603 -18.594 -5.306 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -1.556 -17.300 -7.727 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.930 -18.379 -7.600 1.00 0.00 H new ATOM 626 N LYS A 39 -3.883 -16.042 -5.906 1.00 0.00 N ATOM 627 CA LYS A 39 -4.756 -14.878 -5.775 1.00 0.00 C ATOM 628 C LYS A 39 -4.605 -14.349 -4.351 1.00 0.00 C ATOM 629 O LYS A 39 -5.156 -14.965 -3.440 1.00 0.00 O ATOM 630 CB LYS A 39 -6.198 -15.317 -6.004 1.00 0.00 C ATOM 631 CG LYS A 39 -7.145 -14.126 -5.872 1.00 0.00 C ATOM 632 CD LYS A 39 -8.606 -14.550 -6.020 1.00 0.00 C ATOM 633 CE LYS A 39 -8.912 -15.046 -7.432 1.00 0.00 C ATOM 634 NZ LYS A 39 -10.341 -15.372 -7.543 1.00 0.00 N ATOM 0 H LYS A 39 -3.721 -16.569 -5.048 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.495 -14.106 -6.499 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.297 -15.760 -6.995 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.469 -16.087 -5.282 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.000 -13.651 -4.902 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.903 -13.382 -6.631 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.830 -15.338 -5.301 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.255 -13.707 -5.782 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.646 -14.282 -8.162 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.310 -15.926 -7.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.546 -15.709 -8.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.582 -16.115 -6.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.907 -14.522 -7.346 1.00 0.00 H new ATOM 648 N THR A 40 -3.888 -13.269 -4.041 1.00 0.00 N ATOM 649 CA THR A 40 -3.234 -12.399 -5.030 1.00 0.00 C ATOM 650 C THR A 40 -4.245 -11.722 -5.944 1.00 0.00 C ATOM 651 O THR A 40 -4.405 -12.064 -7.116 1.00 0.00 O ATOM 652 CB THR A 40 -2.090 -13.077 -5.787 1.00 0.00 C ATOM 653 OG1 THR A 40 -1.187 -13.643 -4.851 1.00 0.00 O ATOM 654 CG2 THR A 40 -1.347 -12.046 -6.635 1.00 0.00 C ATOM 0 H THR A 40 -3.740 -12.965 -3.079 1.00 0.00 H new ATOM 0 HA THR A 40 -2.748 -11.606 -4.462 1.00 0.00 H new ATOM 0 HB THR A 40 -2.496 -13.854 -6.435 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.899 -14.525 -5.167 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.534 -12.534 -7.172 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.037 -11.598 -7.351 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.940 -11.269 -5.989 1.00 0.00 H new ATOM 662 N GLY A 41 -4.925 -10.731 -5.401 1.00 0.00 N ATOM 663 CA GLY A 41 -5.907 -10.016 -6.213 1.00 0.00 C ATOM 664 C GLY A 41 -5.273 -8.778 -6.827 1.00 0.00 C ATOM 665 O GLY A 41 -4.065 -8.561 -6.742 1.00 0.00 O ATOM 0 H GLY A 41 -4.827 -10.407 -4.439 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.285 -10.669 -7.000 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.761 -9.730 -5.598 1.00 0.00 H new ATOM 669 N ARG A 42 -6.092 -7.952 -7.456 1.00 0.00 N ATOM 670 CA ARG A 42 -5.546 -6.745 -8.072 1.00 0.00 C ATOM 671 C ARG A 42 -6.468 -5.573 -7.775 1.00 0.00 C ATOM 672 O ARG A 42 -7.430 -5.309 -8.494 1.00 0.00 O ATOM 673 CB ARG A 42 -5.439 -6.953 -9.581 1.00 0.00 C ATOM 674 CG ARG A 42 -4.545 -8.146 -9.908 1.00 0.00 C ATOM 675 CD ARG A 42 -4.449 -8.327 -11.421 1.00 0.00 C ATOM 676 NE ARG A 42 -3.595 -9.467 -11.749 1.00 0.00 N ATOM 677 CZ ARG A 42 -3.404 -9.774 -13.019 1.00 0.00 C ATOM 678 NH1 ARG A 42 -3.978 -9.058 -13.968 1.00 0.00 N ATOM 679 NH2 ARG A 42 -2.638 -10.800 -13.341 1.00 0.00 N ATOM 0 H ARG A 42 -7.099 -8.082 -7.555 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.555 -6.536 -7.668 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.432 -7.113 -10.001 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -5.037 -6.054 -10.048 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.551 -7.992 -9.488 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.948 -9.049 -9.450 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.444 -8.479 -11.838 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -4.047 -7.422 -11.876 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.155 -10.015 -11.010 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -4.571 -8.265 -13.721 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -3.829 -9.297 -14.948 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.194 -11.355 -12.609 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.490 -11.038 -14.322 1.00 0.00 H new ATOM 693 N GLY A 43 -6.174 -4.855 -6.707 1.00 0.00 N ATOM 694 CA GLY A 43 -7.016 -3.710 -6.373 1.00 0.00 C ATOM 695 C GLY A 43 -6.405 -2.438 -6.938 1.00 0.00 C ATOM 696 O GLY A 43 -5.416 -2.464 -7.668 1.00 0.00 O ATOM 0 H GLY A 43 -5.392 -5.029 -6.075 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.018 -3.854 -6.778 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.118 -3.626 -5.291 1.00 0.00 H new ATOM 700 N ALA A 44 -6.988 -1.303 -6.599 1.00 0.00 N ATOM 701 CA ALA A 44 -6.423 -0.049 -7.091 1.00 0.00 C ATOM 702 C ALA A 44 -6.894 1.091 -6.204 1.00 0.00 C ATOM 703 O ALA A 44 -7.778 0.934 -5.362 1.00 0.00 O ATOM 704 CB ALA A 44 -6.875 0.184 -8.531 1.00 0.00 C ATOM 0 H ALA A 44 -7.817 -1.216 -6.011 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.334 -0.098 -7.067 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.453 1.120 -8.898 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.532 -0.639 -9.158 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.963 0.238 -8.567 1.00 0.00 H new ATOM 710 N VAL A 45 -6.302 2.256 -6.385 1.00 0.00 N ATOM 711 CA VAL A 45 -6.712 3.387 -5.559 1.00 0.00 C ATOM 712 C VAL A 45 -6.241 4.670 -6.229 1.00 0.00 C ATOM 713 O VAL A 45 -5.124 4.763 -6.736 1.00 0.00 O ATOM 714 CB VAL A 45 -6.127 3.226 -4.155 1.00 0.00 C ATOM 715 CG1 VAL A 45 -4.600 3.218 -4.195 1.00 0.00 C ATOM 716 CG2 VAL A 45 -6.608 4.357 -3.248 1.00 0.00 C ATOM 0 H VAL A 45 -5.566 2.446 -7.065 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.797 3.429 -5.461 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.470 2.271 -3.757 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.210 3.102 -3.184 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.257 2.389 -4.813 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.242 4.157 -4.617 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.184 4.230 -2.252 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.288 5.314 -3.659 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.696 4.335 -3.185 1.00 0.00 H new ATOM 726 N SER A 46 -7.101 5.669 -6.255 1.00 0.00 N ATOM 727 CA SER A 46 -6.712 6.914 -6.911 1.00 0.00 C ATOM 728 C SER A 46 -5.601 7.581 -6.116 1.00 0.00 C ATOM 729 O SER A 46 -5.479 7.409 -4.904 1.00 0.00 O ATOM 730 CB SER A 46 -7.925 7.835 -6.998 1.00 0.00 C ATOM 731 OG SER A 46 -7.560 9.048 -7.641 1.00 0.00 O ATOM 0 H SER A 46 -8.037 5.655 -5.850 1.00 0.00 H new ATOM 0 HA SER A 46 -6.348 6.705 -7.917 1.00 0.00 H new ATOM 0 HB2 SER A 46 -8.726 7.346 -7.552 1.00 0.00 H new ATOM 0 HB3 SER A 46 -8.308 8.043 -5.999 1.00 0.00 H new ATOM 0 HG SER A 46 -8.342 9.637 -7.697 1.00 0.00 H new ATOM 737 N GLU A 47 -4.777 8.350 -6.803 1.00 0.00 N ATOM 738 CA GLU A 47 -3.666 9.000 -6.109 1.00 0.00 C ATOM 739 C GLU A 47 -4.052 10.421 -5.725 1.00 0.00 C ATOM 740 O GLU A 47 -3.218 11.224 -5.311 1.00 0.00 O ATOM 741 CB GLU A 47 -2.439 9.011 -7.021 1.00 0.00 C ATOM 742 CG GLU A 47 -2.702 9.791 -8.308 1.00 0.00 C ATOM 743 CD GLU A 47 -1.468 9.779 -9.195 1.00 0.00 C ATOM 744 OE1 GLU A 47 -1.251 8.777 -9.912 1.00 0.00 O ATOM 745 OE2 GLU A 47 -0.707 10.771 -9.182 1.00 0.00 O ATOM 0 H GLU A 47 -4.844 8.540 -7.803 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.432 8.448 -5.199 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.596 9.455 -6.492 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.158 7.987 -7.266 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.545 9.352 -8.841 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.976 10.819 -8.069 1.00 0.00 H new ATOM 752 N LYS A 48 -5.323 10.748 -5.864 1.00 0.00 N ATOM 753 CA LYS A 48 -5.740 12.105 -5.515 1.00 0.00 C ATOM 754 C LYS A 48 -5.934 12.202 -4.010 1.00 0.00 C ATOM 755 O LYS A 48 -5.793 13.268 -3.413 1.00 0.00 O ATOM 756 CB LYS A 48 -7.045 12.455 -6.231 1.00 0.00 C ATOM 757 CG LYS A 48 -6.914 12.406 -7.755 1.00 0.00 C ATOM 758 CD LYS A 48 -5.939 13.462 -8.273 1.00 0.00 C ATOM 759 CE LYS A 48 -5.904 13.444 -9.799 1.00 0.00 C ATOM 760 NZ LYS A 48 -4.964 14.465 -10.286 1.00 0.00 N ATOM 0 H LYS A 48 -6.061 10.129 -6.200 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.969 12.809 -5.828 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.825 11.762 -5.915 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.364 13.453 -5.930 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.574 11.416 -8.059 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.893 12.560 -8.209 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.239 14.449 -7.921 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.941 13.272 -7.877 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.601 12.459 -10.154 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.901 13.634 -10.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.943 14.450 -11.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.271 15.404 -9.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.012 14.265 -9.917 1.00 0.00 H new ATOM 774 N ASP A 49 -6.262 11.087 -3.379 1.00 0.00 N ATOM 775 CA ASP A 49 -6.464 11.126 -1.933 1.00 0.00 C ATOM 776 C ASP A 49 -5.755 9.943 -1.294 1.00 0.00 C ATOM 777 O ASP A 49 -6.216 9.368 -0.309 1.00 0.00 O ATOM 778 CB ASP A 49 -7.959 11.057 -1.625 1.00 0.00 C ATOM 779 CG ASP A 49 -8.694 12.245 -2.225 1.00 0.00 C ATOM 780 OD1 ASP A 49 -8.741 13.313 -1.578 1.00 0.00 O ATOM 781 OD2 ASP A 49 -9.229 12.116 -3.347 1.00 0.00 O ATOM 0 H ASP A 49 -6.391 10.176 -3.819 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.056 12.054 -1.531 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -8.373 10.130 -2.022 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -8.111 11.038 -0.546 1.00 0.00 H new ATOM 786 N ALA A 50 -4.618 9.566 -1.851 1.00 0.00 N ATOM 787 CA ALA A 50 -3.895 8.437 -1.273 1.00 0.00 C ATOM 788 C ALA A 50 -3.045 8.950 -0.114 1.00 0.00 C ATOM 789 O ALA A 50 -2.672 10.121 -0.095 1.00 0.00 O ATOM 790 CB ALA A 50 -3.008 7.823 -2.355 1.00 0.00 C ATOM 0 H ALA A 50 -4.186 9.999 -2.667 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.584 7.678 -0.903 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.460 6.977 -1.940 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.628 7.482 -3.184 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.302 8.571 -2.715 1.00 0.00 H new ATOM 796 N PRO A 51 -2.715 8.116 0.865 1.00 0.00 N ATOM 797 CA PRO A 51 -1.881 8.546 1.983 1.00 0.00 C ATOM 798 C PRO A 51 -0.605 9.223 1.505 1.00 0.00 C ATOM 799 O PRO A 51 -0.013 8.850 0.493 1.00 0.00 O ATOM 800 CB PRO A 51 -1.595 7.217 2.680 1.00 0.00 C ATOM 801 CG PRO A 51 -2.797 6.336 2.344 1.00 0.00 C ATOM 802 CD PRO A 51 -3.166 6.729 0.915 1.00 0.00 C ATOM 0 HA PRO A 51 -2.350 9.289 2.627 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.666 6.773 2.321 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.490 7.349 3.757 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -2.546 5.278 2.413 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -3.624 6.513 3.031 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -2.661 6.107 0.176 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -4.236 6.639 0.729 1.00 0.00 H new ATOM 810 N LYS A 52 -0.178 10.245 2.224 1.00 0.00 N ATOM 811 CA LYS A 52 0.982 10.999 1.755 1.00 0.00 C ATOM 812 C LYS A 52 2.265 10.240 2.055 1.00 0.00 C ATOM 813 O LYS A 52 3.278 10.395 1.375 1.00 0.00 O ATOM 814 CB LYS A 52 1.008 12.355 2.456 1.00 0.00 C ATOM 815 CG LYS A 52 -0.285 13.125 2.201 1.00 0.00 C ATOM 816 CD LYS A 52 -0.240 14.479 2.905 1.00 0.00 C ATOM 817 CE LYS A 52 -1.545 15.245 2.696 1.00 0.00 C ATOM 818 NZ LYS A 52 -1.746 15.522 1.266 1.00 0.00 N ATOM 0 H LYS A 52 -0.592 10.567 3.099 1.00 0.00 H new ATOM 0 HA LYS A 52 0.908 11.139 0.677 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.146 12.212 3.528 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.858 12.937 2.100 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.426 13.268 1.130 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.137 12.548 2.560 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.066 14.334 3.971 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.596 15.065 2.522 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.382 14.664 3.083 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.520 16.180 3.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.471 16.259 1.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.852 15.848 0.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.058 14.654 0.785 1.00 0.00 H new ATOM 832 N GLU A 53 2.243 9.411 3.084 1.00 0.00 N ATOM 833 CA GLU A 53 3.478 8.724 3.460 1.00 0.00 C ATOM 834 C GLU A 53 3.774 7.580 2.499 1.00 0.00 C ATOM 835 O GLU A 53 4.877 7.038 2.468 1.00 0.00 O ATOM 836 CB GLU A 53 3.354 8.203 4.891 1.00 0.00 C ATOM 837 CG GLU A 53 2.201 7.211 5.036 1.00 0.00 C ATOM 838 CD GLU A 53 2.110 6.712 6.469 1.00 0.00 C ATOM 839 OE1 GLU A 53 2.932 5.856 6.861 1.00 0.00 O ATOM 840 OE2 GLU A 53 1.216 7.173 7.212 1.00 0.00 O ATOM 0 H GLU A 53 1.425 9.199 3.656 1.00 0.00 H new ATOM 0 HA GLU A 53 4.307 9.429 3.405 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.287 7.721 5.185 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.200 9.041 5.571 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.264 7.688 4.750 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.349 6.369 4.360 1.00 0.00 H new ATOM 847 N LEU A 54 2.791 7.193 1.707 1.00 0.00 N ATOM 848 CA LEU A 54 3.018 6.078 0.793 1.00 0.00 C ATOM 849 C LEU A 54 3.694 6.613 -0.464 1.00 0.00 C ATOM 850 O LEU A 54 4.513 5.944 -1.092 1.00 0.00 O ATOM 851 CB LEU A 54 1.657 5.434 0.504 1.00 0.00 C ATOM 852 CG LEU A 54 1.730 3.987 0.005 1.00 0.00 C ATOM 853 CD1 LEU A 54 0.322 3.400 0.033 1.00 0.00 C ATOM 854 CD2 LEU A 54 2.263 3.884 -1.422 1.00 0.00 C ATOM 0 H LEU A 54 1.861 7.611 1.672 1.00 0.00 H new ATOM 0 HA LEU A 54 3.674 5.318 1.216 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.056 5.461 1.413 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.136 6.036 -0.241 1.00 0.00 H new ATOM 0 HG LEU A 54 2.415 3.444 0.656 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.351 2.369 -0.319 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.062 3.425 1.053 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.330 3.986 -0.615 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.294 2.837 -1.724 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.609 4.437 -2.096 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.268 4.304 -1.466 1.00 0.00 H new ATOM 866 N LEU A 55 3.357 7.829 -0.855 1.00 0.00 N ATOM 867 CA LEU A 55 3.896 8.335 -2.116 1.00 0.00 C ATOM 868 C LEU A 55 5.346 8.755 -1.943 1.00 0.00 C ATOM 869 O LEU A 55 6.163 8.631 -2.854 1.00 0.00 O ATOM 870 CB LEU A 55 3.068 9.534 -2.579 1.00 0.00 C ATOM 871 CG LEU A 55 1.594 9.180 -2.785 1.00 0.00 C ATOM 872 CD1 LEU A 55 0.820 10.453 -3.117 1.00 0.00 C ATOM 873 CD2 LEU A 55 1.424 8.182 -3.928 1.00 0.00 C ATOM 0 H LEU A 55 2.741 8.465 -0.348 1.00 0.00 H new ATOM 0 HA LEU A 55 3.847 7.543 -2.863 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.147 10.333 -1.842 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.480 9.918 -3.512 1.00 0.00 H new ATOM 0 HG LEU A 55 1.214 8.727 -1.869 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.232 10.211 -3.266 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.916 11.162 -2.295 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.222 10.896 -4.028 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.367 7.948 -4.052 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.811 8.616 -4.850 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.973 7.269 -3.698 1.00 0.00 H new ATOM 885 N GLN A 56 5.687 9.270 -0.774 1.00 0.00 N ATOM 886 CA GLN A 56 7.057 9.746 -0.592 1.00 0.00 C ATOM 887 C GLN A 56 7.969 8.590 -0.211 1.00 0.00 C ATOM 888 O GLN A 56 9.193 8.718 -0.187 1.00 0.00 O ATOM 889 CB GLN A 56 7.083 10.825 0.489 1.00 0.00 C ATOM 890 CG GLN A 56 6.620 10.275 1.837 1.00 0.00 C ATOM 891 CD GLN A 56 6.626 11.370 2.889 1.00 0.00 C ATOM 892 OE1 GLN A 56 5.978 12.406 2.750 1.00 0.00 O ATOM 893 NE2 GLN A 56 7.365 11.150 3.961 1.00 0.00 N ATOM 0 H GLN A 56 5.070 9.369 0.033 1.00 0.00 H new ATOM 0 HA GLN A 56 7.417 10.172 -1.528 1.00 0.00 H new ATOM 0 HB2 GLN A 56 8.093 11.222 0.584 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.441 11.654 0.193 1.00 0.00 H new ATOM 0 HG2 GLN A 56 5.617 9.860 1.742 1.00 0.00 H new ATOM 0 HG3 GLN A 56 7.274 9.460 2.148 1.00 0.00 H new ATOM 0 HE21 GLN A 56 7.892 10.281 4.048 1.00 0.00 H new ATOM 0 HE22 GLN A 56 7.409 11.849 4.702 1.00 0.00 H new ATOM 902 N MET A 57 7.385 7.447 0.098 1.00 0.00 N ATOM 903 CA MET A 57 8.221 6.312 0.481 1.00 0.00 C ATOM 904 C MET A 57 8.695 5.590 -0.770 1.00 0.00 C ATOM 905 O MET A 57 9.698 4.877 -0.759 1.00 0.00 O ATOM 906 CB MET A 57 7.406 5.373 1.369 1.00 0.00 C ATOM 907 CG MET A 57 8.242 4.177 1.821 1.00 0.00 C ATOM 908 SD MET A 57 9.712 4.747 2.692 1.00 0.00 S ATOM 909 CE MET A 57 8.949 5.354 4.206 1.00 0.00 C ATOM 0 H MET A 57 6.379 7.277 0.095 1.00 0.00 H new ATOM 0 HA MET A 57 9.094 6.656 1.035 1.00 0.00 H new ATOM 0 HB2 MET A 57 7.043 5.917 2.241 1.00 0.00 H new ATOM 0 HB3 MET A 57 6.529 5.022 0.824 1.00 0.00 H new ATOM 0 HG2 MET A 57 7.650 3.534 2.472 1.00 0.00 H new ATOM 0 HG3 MET A 57 8.530 3.577 0.958 1.00 0.00 H new ATOM 0 HE1 MET A 57 9.704 5.431 4.989 1.00 0.00 H new ATOM 0 HE2 MET A 57 8.513 6.336 4.025 1.00 0.00 H new ATOM 0 HE3 MET A 57 8.168 4.663 4.522 1.00 0.00 H new ATOM 919 N LEU A 58 7.973 5.761 -1.863 1.00 0.00 N ATOM 920 CA LEU A 58 8.356 5.046 -3.079 1.00 0.00 C ATOM 921 C LEU A 58 8.644 6.041 -4.192 1.00 0.00 C ATOM 922 O LEU A 58 8.349 5.803 -5.362 1.00 0.00 O ATOM 923 CB LEU A 58 7.222 4.114 -3.503 1.00 0.00 C ATOM 924 CG LEU A 58 6.873 3.088 -2.424 1.00 0.00 C ATOM 925 CD1 LEU A 58 5.662 2.280 -2.880 1.00 0.00 C ATOM 926 CD2 LEU A 58 8.042 2.136 -2.175 1.00 0.00 C ATOM 0 H LEU A 58 7.152 6.361 -1.941 1.00 0.00 H new ATOM 0 HA LEU A 58 9.253 4.459 -2.883 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.337 4.706 -3.736 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.507 3.593 -4.417 1.00 0.00 H new ATOM 0 HG LEU A 58 6.653 3.618 -1.497 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.406 1.546 -2.116 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.816 2.949 -3.038 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.897 1.767 -3.812 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.767 1.417 -1.403 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.282 1.606 -3.097 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.912 2.706 -1.847 1.00 0.00 H new ATOM 938 N GLU A 59 9.248 7.160 -3.844 1.00 0.00 N ATOM 939 CA GLU A 59 9.644 8.092 -4.895 1.00 0.00 C ATOM 940 C GLU A 59 10.599 9.121 -4.313 1.00 0.00 C ATOM 941 O GLU A 59 10.242 10.279 -4.103 1.00 0.00 O ATOM 942 CB GLU A 59 8.408 8.780 -5.473 1.00 0.00 C ATOM 943 CG GLU A 59 8.774 9.650 -6.674 1.00 0.00 C ATOM 944 CD GLU A 59 7.531 10.295 -7.262 1.00 0.00 C ATOM 945 OE1 GLU A 59 7.102 11.352 -6.753 1.00 0.00 O ATOM 946 OE2 GLU A 59 6.973 9.747 -8.239 1.00 0.00 O ATOM 0 H GLU A 59 9.470 7.443 -2.890 1.00 0.00 H new ATOM 0 HA GLU A 59 10.144 7.551 -5.698 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.677 8.029 -5.773 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.937 9.394 -4.705 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.482 10.421 -6.370 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.270 9.044 -7.432 1.00 0.00 H new ATOM 953 N LYS A 60 11.830 8.710 -4.065 1.00 0.00 N ATOM 954 CA LYS A 60 12.816 9.694 -3.618 1.00 0.00 C ATOM 955 C LYS A 60 13.003 10.704 -4.739 1.00 0.00 C ATOM 956 O LYS A 60 13.597 10.415 -5.776 1.00 0.00 O ATOM 957 CB LYS A 60 14.142 9.009 -3.289 1.00 0.00 C ATOM 958 CG LYS A 60 14.816 8.471 -4.549 1.00 0.00 C ATOM 959 CD LYS A 60 16.121 7.769 -4.188 1.00 0.00 C ATOM 960 CE LYS A 60 16.806 7.235 -5.442 1.00 0.00 C ATOM 961 NZ LYS A 60 18.062 6.564 -5.076 1.00 0.00 N ATOM 0 H LYS A 60 12.166 7.751 -4.157 1.00 0.00 H new ATOM 0 HA LYS A 60 12.470 10.193 -2.713 1.00 0.00 H new ATOM 0 HB2 LYS A 60 14.806 9.717 -2.793 1.00 0.00 H new ATOM 0 HB3 LYS A 60 13.968 8.191 -2.590 1.00 0.00 H new ATOM 0 HG2 LYS A 60 14.149 7.776 -5.059 1.00 0.00 H new ATOM 0 HG3 LYS A 60 15.014 9.289 -5.242 1.00 0.00 H new ATOM 0 HD2 LYS A 60 16.784 8.464 -3.672 1.00 0.00 H new ATOM 0 HD3 LYS A 60 15.921 6.949 -3.499 1.00 0.00 H new ATOM 0 HE2 LYS A 60 16.147 6.537 -5.958 1.00 0.00 H new ATOM 0 HE3 LYS A 60 17.008 8.053 -6.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 18.525 6.202 -5.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 18.693 7.242 -4.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 17.858 5.773 -4.432 1.00 0.00 H new ATOM 975 N GLN A 61 12.441 11.885 -4.558 1.00 0.00 N ATOM 976 CA GLN A 61 12.356 12.804 -5.689 1.00 0.00 C ATOM 977 C GLN A 61 13.249 14.010 -5.435 1.00 0.00 C ATOM 978 O GLN A 61 12.844 14.995 -4.823 1.00 0.00 O ATOM 979 CB GLN A 61 10.889 13.210 -5.833 1.00 0.00 C ATOM 980 CG GLN A 61 10.539 13.624 -7.262 1.00 0.00 C ATOM 981 CD GLN A 61 11.270 14.887 -7.689 1.00 0.00 C ATOM 982 OE1 GLN A 61 12.331 14.843 -8.310 1.00 0.00 O ATOM 983 NE2 GLN A 61 10.704 16.033 -7.360 1.00 0.00 N ATOM 0 H GLN A 61 12.050 12.225 -3.680 1.00 0.00 H new ATOM 0 HA GLN A 61 12.699 12.337 -6.612 1.00 0.00 H new ATOM 0 HB2 GLN A 61 10.253 12.378 -5.532 1.00 0.00 H new ATOM 0 HB3 GLN A 61 10.675 14.036 -5.155 1.00 0.00 H new ATOM 0 HG2 GLN A 61 10.790 12.813 -7.945 1.00 0.00 H new ATOM 0 HG3 GLN A 61 9.464 13.785 -7.339 1.00 0.00 H new ATOM 0 HE21 GLN A 61 9.824 16.038 -6.845 1.00 0.00 H new ATOM 0 HE22 GLN A 61 11.147 16.914 -7.621 1.00 0.00 H new ATOM 992 N LYS A 62 14.480 13.947 -5.910 1.00 0.00 N ATOM 993 CA LYS A 62 15.369 15.087 -5.700 1.00 0.00 C ATOM 994 C LYS A 62 14.892 16.227 -6.584 1.00 0.00 C ATOM 995 O LYS A 62 14.579 17.313 -6.048 1.00 0.00 O ATOM 996 CB LYS A 62 16.814 14.734 -6.064 1.00 0.00 C ATOM 997 CG LYS A 62 17.536 13.935 -4.974 1.00 0.00 C ATOM 998 CD LYS A 62 17.000 12.516 -4.770 1.00 0.00 C ATOM 999 CE LYS A 62 17.118 11.668 -6.035 1.00 0.00 C ATOM 1000 NZ LYS A 62 18.523 11.588 -6.461 1.00 0.00 N ATOM 1001 OXT LYS A 62 14.828 16.046 -7.819 1.00 0.00 O ATOM 0 H LYS A 62 14.879 13.160 -6.422 1.00 0.00 H new ATOM 0 HA LYS A 62 15.346 15.372 -4.648 1.00 0.00 H new ATOM 0 HB2 LYS A 62 16.818 14.158 -6.990 1.00 0.00 H new ATOM 0 HB3 LYS A 62 17.367 15.653 -6.258 1.00 0.00 H new ATOM 0 HG2 LYS A 62 18.595 13.878 -5.224 1.00 0.00 H new ATOM 0 HG3 LYS A 62 17.460 14.478 -4.032 1.00 0.00 H new ATOM 0 HD2 LYS A 62 17.548 12.035 -3.960 1.00 0.00 H new ATOM 0 HD3 LYS A 62 15.955 12.565 -4.463 1.00 0.00 H new ATOM 0 HE2 LYS A 62 16.729 10.667 -5.849 1.00 0.00 H new ATOM 0 HE3 LYS A 62 16.513 12.102 -6.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 18.629 10.831 -7.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 18.811 12.495 -6.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 19.124 11.381 -5.638 1.00 0.00 H new TER 1015 LYS A 62