USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 494 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 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 ASN : amide:sc= -5.5! C(o=-5.5!,f=-3.2!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -3.88! C(o=-3.9!,f=-3.6!) USER MOD Single : A 17 LYS NZ :NH3+ -143:sc= -5.38! (180deg=-8.57!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -143:sc= -7.5! (180deg=-9.69!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -2 K(o=-2,f=-0.49) USER MOD Single : B 1 ALA N :NH3+ -165:sc= -0.0626 (180deg=-0.446) USER MOD Single : B 2 ASN : amide:sc= -6.15! C(o=-6.1!,f=-7!) USER MOD Single : B 7 TYR OH : rot 180:sc= 0 USER MOD Single : B 8 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.487) USER MOD Single : B 14 GLN : amide:sc= -6.55! C(o=-6.6!,f=-11!) USER MOD Single : B 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 33 MET CE :methyl -144:sc= -7.9! (180deg=-9.18!) USER MOD Single : B 35 LYS NZ :NH3+ -121:sc= 1.01 (180deg=-1.66!) USER MOD Single : B 36 GLN : amide:sc= -1.82! K(o=-1.8!,f=-0.86) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.730 -0.337 -0.834 1.00 44.41 N ATOM 2 CA ALA A 1 1.339 0.166 -2.054 1.00 33.15 C ATOM 3 C ALA A 1 1.784 1.614 -1.837 1.00 73.20 C ATOM 4 O ALA A 1 1.070 2.547 -2.200 1.00 5.13 O ATOM 5 CB ALA A 1 0.349 0.027 -3.213 1.00 64.02 C ATOM 0 H1 ALA A 1 0.426 -1.321 -0.978 1.00 44.41 H new ATOM 0 H2 ALA A 1 1.422 -0.298 -0.059 1.00 44.41 H new ATOM 0 H3 ALA A 1 -0.095 0.248 -0.591 1.00 44.41 H new ATOM 0 HA ALA A 1 2.224 -0.416 -2.310 1.00 33.15 H new ATOM 0 HB1 ALA A 1 0.805 0.404 -4.128 1.00 64.02 H new ATOM 0 HB2 ALA A 1 0.087 -1.023 -3.344 1.00 64.02 H new ATOM 0 HB3 ALA A 1 -0.551 0.601 -2.993 1.00 64.02 H new ATOM 11 N ASN A 2 2.962 1.755 -1.248 1.00 61.03 N ATOM 12 CA ASN A 2 3.511 3.073 -0.979 1.00 40.31 C ATOM 13 C ASN A 2 4.084 3.656 -2.273 1.00 1.22 C ATOM 14 O ASN A 2 4.803 2.973 -3.000 1.00 3.01 O ATOM 15 CB ASN A 2 4.642 2.999 0.048 1.00 44.23 C ATOM 16 CG ASN A 2 5.836 2.219 -0.507 1.00 0.12 C ATOM 17 OD1 ASN A 2 6.710 2.757 -1.166 1.00 41.31 O ATOM 18 ND2 ASN A 2 5.825 0.925 -0.202 1.00 73.45 N ATOM 0 H ASN A 2 3.552 0.978 -0.949 1.00 61.03 H new ATOM 0 HA ASN A 2 2.709 3.699 -0.588 1.00 40.31 H new ATOM 0 HB2 ASN A 2 4.956 4.006 0.321 1.00 44.23 H new ATOM 0 HB3 ASN A 2 4.281 2.520 0.958 1.00 44.23 H new ATOM 0 HD21 ASN A 2 6.579 0.319 -0.524 1.00 73.45 H new ATOM 0 HD22 ASN A 2 5.062 0.539 0.354 1.00 73.45 H new ATOM 25 N GLU A 3 3.743 4.913 -2.519 1.00 72.53 N ATOM 26 CA GLU A 3 4.214 5.595 -3.712 1.00 44.43 C ATOM 27 C GLU A 3 5.680 5.246 -3.980 1.00 11.23 C ATOM 28 O GLU A 3 6.505 5.274 -3.068 1.00 51.31 O ATOM 29 CB GLU A 3 4.024 7.109 -3.590 1.00 23.41 C ATOM 30 CG GLU A 3 4.673 7.839 -4.766 1.00 73.13 C ATOM 31 CD GLU A 3 4.618 9.356 -4.568 1.00 30.22 C ATOM 32 OE1 GLU A 3 4.472 9.827 -3.430 1.00 74.34 O ATOM 33 OE2 GLU A 3 4.733 10.052 -5.648 1.00 32.43 O ATOM 0 H GLU A 3 3.147 5.476 -1.913 1.00 72.53 H new ATOM 0 HA GLU A 3 3.619 5.255 -4.560 1.00 44.43 H new ATOM 0 HB2 GLU A 3 2.960 7.344 -3.554 1.00 23.41 H new ATOM 0 HB3 GLU A 3 4.460 7.460 -2.654 1.00 23.41 H new ATOM 0 HG2 GLU A 3 5.710 7.520 -4.869 1.00 73.13 H new ATOM 0 HG3 GLU A 3 4.163 7.571 -5.691 1.00 73.13 H new ATOM 40 N GLY A 4 5.960 4.926 -5.234 1.00 74.43 N ATOM 41 CA GLY A 4 7.311 4.571 -5.633 1.00 22.21 C ATOM 42 C GLY A 4 7.495 3.053 -5.660 1.00 21.03 C ATOM 43 O GLY A 4 8.574 2.560 -5.984 1.00 22.32 O ATOM 0 H GLY A 4 5.274 4.905 -5.988 1.00 74.43 H new ATOM 0 HA2 GLY A 4 7.523 4.984 -6.619 1.00 22.21 H new ATOM 0 HA3 GLY A 4 8.027 5.015 -4.941 1.00 22.21 H new ATOM 47 N ASP A 5 6.424 2.353 -5.314 1.00 31.14 N ATOM 48 CA ASP A 5 6.454 0.900 -5.294 1.00 1.23 C ATOM 49 C ASP A 5 5.866 0.364 -6.600 1.00 54.33 C ATOM 50 O ASP A 5 5.031 1.018 -7.224 1.00 50.13 O ATOM 51 CB ASP A 5 5.618 0.348 -4.138 1.00 24.43 C ATOM 52 CG ASP A 5 6.389 0.114 -2.837 1.00 32.43 C ATOM 53 OD1 ASP A 5 7.337 0.958 -2.605 1.00 31.40 O ATOM 54 OD2 ASP A 5 6.099 -0.827 -2.083 1.00 72.51 O ATOM 0 H ASP A 5 5.530 2.765 -5.045 1.00 31.14 H new ATOM 0 HA ASP A 5 7.491 0.586 -5.172 1.00 1.23 H new ATOM 0 HB2 ASP A 5 4.800 1.040 -3.938 1.00 24.43 H new ATOM 0 HB3 ASP A 5 5.169 -0.595 -4.451 1.00 24.43 H new ATOM 59 N VAL A 6 6.324 -0.820 -6.977 1.00 20.45 N ATOM 60 CA VAL A 6 5.854 -1.452 -8.198 1.00 1.43 C ATOM 61 C VAL A 6 5.154 -2.766 -7.850 1.00 33.50 C ATOM 62 O VAL A 6 5.536 -3.445 -6.898 1.00 60.33 O ATOM 63 CB VAL A 6 7.017 -1.634 -9.174 1.00 45.44 C ATOM 64 CG1 VAL A 6 6.706 -2.725 -10.202 1.00 10.34 C ATOM 65 CG2 VAL A 6 7.365 -0.314 -9.865 1.00 40.14 C ATOM 0 H VAL A 6 7.017 -1.359 -6.458 1.00 20.45 H new ATOM 0 HA VAL A 6 5.123 -0.818 -8.700 1.00 1.43 H new ATOM 0 HB VAL A 6 7.888 -1.952 -8.601 1.00 45.44 H new ATOM 0 HG11 VAL A 6 7.550 -2.834 -10.884 1.00 10.34 H new ATOM 0 HG12 VAL A 6 6.531 -3.670 -9.688 1.00 10.34 H new ATOM 0 HG13 VAL A 6 5.816 -2.449 -10.767 1.00 10.34 H new ATOM 0 HG21 VAL A 6 8.195 -0.472 -10.554 1.00 40.14 H new ATOM 0 HG22 VAL A 6 6.498 0.047 -10.418 1.00 40.14 H new ATOM 0 HG23 VAL A 6 7.650 0.425 -9.116 1.00 40.14 H new ATOM 75 N TYR A 7 4.140 -3.088 -8.641 1.00 4.02 N ATOM 76 CA TYR A 7 3.383 -4.309 -8.429 1.00 71.33 C ATOM 77 C TYR A 7 3.303 -5.135 -9.715 1.00 33.33 C ATOM 78 O TYR A 7 3.138 -4.583 -10.802 1.00 25.42 O ATOM 79 CB TYR A 7 1.973 -3.869 -8.031 1.00 5.20 C ATOM 80 CG TYR A 7 1.779 -3.687 -6.524 1.00 65.44 C ATOM 81 CD1 TYR A 7 2.537 -2.762 -5.837 1.00 44.52 C ATOM 82 CD2 TYR A 7 0.847 -4.451 -5.852 1.00 72.22 C ATOM 83 CE1 TYR A 7 2.355 -2.592 -4.419 1.00 44.41 C ATOM 84 CE2 TYR A 7 0.665 -4.281 -4.434 1.00 73.30 C ATOM 85 CZ TYR A 7 1.428 -3.360 -3.787 1.00 50.34 C ATOM 86 OH TYR A 7 1.256 -3.200 -2.448 1.00 11.55 O ATOM 0 H TYR A 7 3.826 -2.523 -9.430 1.00 4.02 H new ATOM 0 HA TYR A 7 3.858 -4.927 -7.667 1.00 71.33 H new ATOM 0 HB2 TYR A 7 1.742 -2.929 -8.533 1.00 5.20 H new ATOM 0 HB3 TYR A 7 1.258 -4.608 -8.392 1.00 5.20 H new ATOM 0 HD1 TYR A 7 3.267 -2.165 -6.363 1.00 44.52 H new ATOM 0 HD2 TYR A 7 0.254 -5.176 -6.390 1.00 72.22 H new ATOM 0 HE1 TYR A 7 2.942 -1.871 -3.870 1.00 44.41 H new ATOM 0 HE2 TYR A 7 -0.061 -4.872 -3.896 1.00 73.30 H new ATOM 0 HH TYR A 7 0.560 -3.814 -2.132 1.00 11.55 H new ATOM 96 N LYS A 8 3.423 -6.444 -9.548 1.00 35.04 N ATOM 97 CA LYS A 8 3.365 -7.352 -10.681 1.00 52.34 C ATOM 98 C LYS A 8 2.202 -8.327 -10.491 1.00 3.25 C ATOM 99 O LYS A 8 2.075 -8.948 -9.436 1.00 52.35 O ATOM 100 CB LYS A 8 4.716 -8.038 -10.886 1.00 62.33 C ATOM 101 CG LYS A 8 4.812 -8.655 -12.284 1.00 43.44 C ATOM 102 CD LYS A 8 6.246 -9.087 -12.596 1.00 2.21 C ATOM 103 CE LYS A 8 6.283 -10.041 -13.791 1.00 5.12 C ATOM 104 NZ LYS A 8 7.681 -10.306 -14.199 1.00 43.41 N ATOM 0 H LYS A 8 3.560 -6.898 -8.645 1.00 35.04 H new ATOM 0 HA LYS A 8 3.170 -6.801 -11.601 1.00 52.34 H new ATOM 0 HB2 LYS A 8 5.520 -7.315 -10.748 1.00 62.33 H new ATOM 0 HB3 LYS A 8 4.852 -8.814 -10.132 1.00 62.33 H new ATOM 0 HG2 LYS A 8 4.146 -9.515 -12.352 1.00 43.44 H new ATOM 0 HG3 LYS A 8 4.476 -7.933 -13.028 1.00 43.44 H new ATOM 0 HD2 LYS A 8 6.856 -8.209 -12.808 1.00 2.21 H new ATOM 0 HD3 LYS A 8 6.681 -9.574 -11.723 1.00 2.21 H new ATOM 0 HE2 LYS A 8 5.790 -10.978 -13.532 1.00 5.12 H new ATOM 0 HE3 LYS A 8 5.730 -9.610 -14.625 1.00 5.12 H new ATOM 0 HZ1 LYS A 8 7.688 -10.955 -15.011 1.00 43.41 H new ATOM 0 HZ2 LYS A 8 8.140 -9.412 -14.466 1.00 43.41 H new ATOM 0 HZ3 LYS A 8 8.198 -10.737 -13.406 1.00 43.41 H new ATOM 117 N CYS A 9 1.383 -8.431 -11.527 1.00 13.03 N ATOM 118 CA CYS A 9 0.234 -9.320 -11.486 1.00 33.02 C ATOM 119 C CYS A 9 0.712 -10.702 -11.038 1.00 61.41 C ATOM 120 O CYS A 9 -0.022 -11.433 -10.376 1.00 15.04 O ATOM 121 CB CYS A 9 -0.487 -9.375 -12.834 1.00 44.21 C ATOM 122 SG CYS A 9 -1.961 -10.462 -12.873 1.00 65.13 S ATOM 0 H CYS A 9 1.492 -7.915 -12.400 1.00 13.03 H new ATOM 0 HA CYS A 9 -0.497 -8.940 -10.772 1.00 33.02 H new ATOM 0 HB2 CYS A 9 -0.790 -8.365 -13.109 1.00 44.21 H new ATOM 0 HB3 CYS A 9 0.217 -9.714 -13.593 1.00 44.21 H new ATOM 127 N GLU A 10 1.941 -11.020 -11.418 1.00 41.32 N ATOM 128 CA GLU A 10 2.526 -12.302 -11.064 1.00 44.42 C ATOM 129 C GLU A 10 1.828 -13.432 -11.824 1.00 45.20 C ATOM 130 O GLU A 10 2.101 -14.607 -11.582 1.00 75.42 O ATOM 131 CB GLU A 10 2.463 -12.535 -9.554 1.00 21.20 C ATOM 132 CG GLU A 10 3.742 -12.048 -8.870 1.00 20.23 C ATOM 133 CD GLU A 10 4.701 -13.212 -8.606 1.00 55.45 C ATOM 134 OE1 GLU A 10 4.332 -14.175 -7.919 1.00 54.23 O ATOM 135 OE2 GLU A 10 5.866 -13.091 -9.147 1.00 22.15 O ATOM 0 H GLU A 10 2.548 -10.412 -11.968 1.00 41.32 H new ATOM 0 HA GLU A 10 3.577 -12.292 -11.353 1.00 44.42 H new ATOM 0 HB2 GLU A 10 1.602 -12.012 -9.137 1.00 21.20 H new ATOM 0 HB3 GLU A 10 2.320 -13.596 -9.352 1.00 21.20 H new ATOM 0 HG2 GLU A 10 4.233 -11.303 -9.497 1.00 20.23 H new ATOM 0 HG3 GLU A 10 3.491 -11.558 -7.929 1.00 20.23 H new ATOM 142 N LEU A 11 0.942 -13.036 -12.725 1.00 11.01 N ATOM 143 CA LEU A 11 0.203 -14.002 -13.521 1.00 40.32 C ATOM 144 C LEU A 11 0.435 -13.715 -15.006 1.00 63.31 C ATOM 145 O LEU A 11 1.278 -14.349 -15.639 1.00 51.52 O ATOM 146 CB LEU A 11 -1.273 -14.008 -13.120 1.00 34.24 C ATOM 147 CG LEU A 11 -1.601 -14.670 -11.780 1.00 52.42 C ATOM 148 CD1 LEU A 11 -3.113 -14.727 -11.552 1.00 53.42 C ATOM 149 CD2 LEU A 11 -0.954 -16.052 -11.678 1.00 34.20 C ATOM 0 H LEU A 11 0.719 -12.060 -12.922 1.00 11.01 H new ATOM 0 HA LEU A 11 0.566 -15.012 -13.330 1.00 40.32 H new ATOM 0 HB2 LEU A 11 -1.625 -12.977 -13.089 1.00 34.24 H new ATOM 0 HB3 LEU A 11 -1.839 -14.515 -13.901 1.00 34.24 H new ATOM 0 HG LEU A 11 -1.178 -14.057 -10.984 1.00 52.42 H new ATOM 0 HD11 LEU A 11 -3.319 -15.202 -10.593 1.00 53.42 H new ATOM 0 HD12 LEU A 11 -3.519 -13.715 -11.550 1.00 53.42 H new ATOM 0 HD13 LEU A 11 -3.580 -15.304 -12.350 1.00 53.42 H new ATOM 0 HD21 LEU A 11 -1.203 -16.500 -10.716 1.00 34.20 H new ATOM 0 HD22 LEU A 11 -1.325 -16.688 -12.482 1.00 34.20 H new ATOM 0 HD23 LEU A 11 0.128 -15.954 -11.763 1.00 34.20 H new ATOM 161 N CYS A 12 -0.328 -12.762 -15.519 1.00 14.31 N ATOM 162 CA CYS A 12 -0.216 -12.385 -16.918 1.00 23.02 C ATOM 163 C CYS A 12 1.220 -11.924 -17.178 1.00 71.33 C ATOM 164 O CYS A 12 1.821 -12.293 -18.186 1.00 53.20 O ATOM 165 CB CYS A 12 -1.237 -11.310 -17.298 1.00 33.30 C ATOM 166 SG CYS A 12 -1.196 -9.808 -16.254 1.00 30.22 S ATOM 0 H CYS A 12 -1.027 -12.239 -14.991 1.00 14.31 H new ATOM 0 HA CYS A 12 -0.441 -13.246 -17.548 1.00 23.02 H new ATOM 0 HB2 CYS A 12 -1.068 -11.019 -18.335 1.00 33.30 H new ATOM 0 HB3 CYS A 12 -2.236 -11.743 -17.247 1.00 33.30 H new ATOM 171 N GLY A 13 1.727 -11.125 -16.251 1.00 22.11 N ATOM 172 CA GLY A 13 3.081 -10.611 -16.367 1.00 1.33 C ATOM 173 C GLY A 13 3.077 -9.090 -16.537 1.00 65.51 C ATOM 174 O GLY A 13 3.995 -8.526 -17.132 1.00 53.42 O ATOM 0 H GLY A 13 1.225 -10.821 -15.417 1.00 22.11 H new ATOM 0 HA2 GLY A 13 3.653 -10.880 -15.479 1.00 1.33 H new ATOM 0 HA3 GLY A 13 3.578 -11.075 -17.219 1.00 1.33 H new ATOM 178 N GLN A 14 2.035 -8.470 -16.003 1.00 60.45 N ATOM 179 CA GLN A 14 1.900 -7.026 -16.089 1.00 75.02 C ATOM 180 C GLN A 14 2.550 -6.359 -14.875 1.00 71.43 C ATOM 181 O GLN A 14 2.380 -6.817 -13.746 1.00 23.12 O ATOM 182 CB GLN A 14 0.430 -6.620 -16.215 1.00 41.14 C ATOM 183 CG GLN A 14 0.256 -5.115 -15.995 1.00 22.35 C ATOM 184 CD GLN A 14 -0.702 -4.517 -17.028 1.00 23.05 C ATOM 185 OE1 GLN A 14 -0.313 -3.776 -17.915 1.00 52.11 O ATOM 186 NE2 GLN A 14 -1.971 -4.879 -16.862 1.00 62.01 N ATOM 0 H GLN A 14 1.277 -8.941 -15.509 1.00 60.45 H new ATOM 0 HA GLN A 14 2.416 -6.685 -16.986 1.00 75.02 H new ATOM 0 HB2 GLN A 14 0.057 -6.892 -17.202 1.00 41.14 H new ATOM 0 HB3 GLN A 14 -0.166 -7.169 -15.486 1.00 41.14 H new ATOM 0 HG2 GLN A 14 -0.126 -4.932 -14.991 1.00 22.35 H new ATOM 0 HG3 GLN A 14 1.225 -4.620 -16.062 1.00 22.35 H new ATOM 0 HE21 GLN A 14 -2.227 -5.503 -16.097 1.00 62.01 H new ATOM 0 HE22 GLN A 14 -2.688 -4.532 -17.500 1.00 62.01 H new ATOM 195 N VAL A 15 3.281 -5.289 -15.149 1.00 51.24 N ATOM 196 CA VAL A 15 3.958 -4.554 -14.094 1.00 64.12 C ATOM 197 C VAL A 15 3.519 -3.089 -14.135 1.00 71.51 C ATOM 198 O VAL A 15 3.495 -2.474 -15.200 1.00 72.53 O ATOM 199 CB VAL A 15 5.473 -4.728 -14.224 1.00 32.12 C ATOM 200 CG1 VAL A 15 6.211 -3.917 -13.158 1.00 4.44 C ATOM 201 CG2 VAL A 15 5.863 -6.207 -14.156 1.00 1.43 C ATOM 0 H VAL A 15 3.420 -4.913 -16.087 1.00 51.24 H new ATOM 0 HA VAL A 15 3.681 -4.949 -13.116 1.00 64.12 H new ATOM 0 HB VAL A 15 5.772 -4.347 -15.201 1.00 32.12 H new ATOM 0 HG11 VAL A 15 7.286 -4.058 -13.273 1.00 4.44 H new ATOM 0 HG12 VAL A 15 5.970 -2.860 -13.273 1.00 4.44 H new ATOM 0 HG13 VAL A 15 5.904 -4.254 -12.168 1.00 4.44 H new ATOM 0 HG21 VAL A 15 6.945 -6.303 -14.251 1.00 1.43 H new ATOM 0 HG22 VAL A 15 5.544 -6.624 -13.201 1.00 1.43 H new ATOM 0 HG23 VAL A 15 5.378 -6.749 -14.968 1.00 1.43 H new ATOM 211 N VAL A 16 3.183 -2.573 -12.962 1.00 55.15 N ATOM 212 CA VAL A 16 2.746 -1.192 -12.851 1.00 55.12 C ATOM 213 C VAL A 16 3.395 -0.553 -11.622 1.00 50.51 C ATOM 214 O VAL A 16 3.901 -1.254 -10.748 1.00 34.43 O ATOM 215 CB VAL A 16 1.217 -1.127 -12.821 1.00 51.13 C ATOM 216 CG1 VAL A 16 0.625 -1.504 -14.180 1.00 72.13 C ATOM 217 CG2 VAL A 16 0.652 -2.017 -11.711 1.00 63.31 C ATOM 0 H VAL A 16 3.205 -3.086 -12.081 1.00 55.15 H new ATOM 0 HA VAL A 16 3.065 -0.620 -13.722 1.00 55.12 H new ATOM 0 HB VAL A 16 0.930 -0.098 -12.605 1.00 51.13 H new ATOM 0 HG11 VAL A 16 -0.463 -1.450 -14.131 1.00 72.13 H new ATOM 0 HG12 VAL A 16 0.989 -0.812 -14.940 1.00 72.13 H new ATOM 0 HG13 VAL A 16 0.926 -2.519 -14.439 1.00 72.13 H new ATOM 0 HG21 VAL A 16 -0.436 -1.953 -11.711 1.00 63.31 H new ATOM 0 HG22 VAL A 16 0.954 -3.050 -11.883 1.00 63.31 H new ATOM 0 HG23 VAL A 16 1.035 -1.683 -10.747 1.00 63.31 H new ATOM 227 N LYS A 17 3.360 0.771 -11.595 1.00 0.35 N ATOM 228 CA LYS A 17 3.939 1.512 -10.488 1.00 2.14 C ATOM 229 C LYS A 17 2.831 2.261 -9.745 1.00 14.44 C ATOM 230 O LYS A 17 1.810 2.612 -10.336 1.00 62.41 O ATOM 231 CB LYS A 17 5.070 2.418 -10.981 1.00 55.43 C ATOM 232 CG LYS A 17 5.784 3.092 -9.808 1.00 40.45 C ATOM 233 CD LYS A 17 6.208 4.517 -10.171 1.00 25.22 C ATOM 234 CE LYS A 17 5.044 5.495 -10.001 1.00 42.10 C ATOM 235 NZ LYS A 17 4.015 5.261 -11.038 1.00 74.41 N ATOM 0 H LYS A 17 2.940 1.350 -12.322 1.00 0.35 H new ATOM 0 HA LYS A 17 4.398 0.829 -9.773 1.00 2.14 H new ATOM 0 HB2 LYS A 17 5.785 1.832 -11.558 1.00 55.43 H new ATOM 0 HB3 LYS A 17 4.667 3.178 -11.651 1.00 55.43 H new ATOM 0 HG2 LYS A 17 5.124 3.115 -8.940 1.00 40.45 H new ATOM 0 HG3 LYS A 17 6.661 2.508 -9.527 1.00 40.45 H new ATOM 0 HD2 LYS A 17 7.041 4.824 -9.539 1.00 25.22 H new ATOM 0 HD3 LYS A 17 6.563 4.544 -11.201 1.00 25.22 H new ATOM 0 HE2 LYS A 17 4.604 5.377 -9.011 1.00 42.10 H new ATOM 0 HE3 LYS A 17 5.410 6.520 -10.068 1.00 42.10 H new ATOM 0 HZ1 LYS A 17 3.612 6.171 -11.339 1.00 74.41 H new ATOM 0 HZ2 LYS A 17 4.448 4.786 -11.856 1.00 74.41 H new ATOM 0 HZ3 LYS A 17 3.260 4.661 -10.649 1.00 74.41 H new ATOM 248 N VAL A 18 3.069 2.485 -8.461 1.00 63.53 N ATOM 249 CA VAL A 18 2.103 3.185 -7.632 1.00 42.52 C ATOM 250 C VAL A 18 2.482 4.666 -7.555 1.00 65.55 C ATOM 251 O VAL A 18 3.206 5.079 -6.652 1.00 2.41 O ATOM 252 CB VAL A 18 2.013 2.520 -6.257 1.00 20.22 C ATOM 253 CG1 VAL A 18 1.182 3.367 -5.292 1.00 32.51 C ATOM 254 CG2 VAL A 18 1.448 1.103 -6.370 1.00 64.52 C ATOM 0 H VAL A 18 3.917 2.194 -7.975 1.00 63.53 H new ATOM 0 HA VAL A 18 1.108 3.125 -8.073 1.00 42.52 H new ATOM 0 HB VAL A 18 3.023 2.447 -5.853 1.00 20.22 H new ATOM 0 HG11 VAL A 18 1.134 2.872 -4.322 1.00 32.51 H new ATOM 0 HG12 VAL A 18 1.645 4.347 -5.176 1.00 32.51 H new ATOM 0 HG13 VAL A 18 0.174 3.487 -5.689 1.00 32.51 H new ATOM 0 HG21 VAL A 18 1.394 0.653 -5.379 1.00 64.52 H new ATOM 0 HG22 VAL A 18 0.449 1.143 -6.805 1.00 64.52 H new ATOM 0 HG23 VAL A 18 2.097 0.502 -7.007 1.00 64.52 H new ATOM 264 N LEU A 19 1.976 5.424 -8.517 1.00 14.42 N ATOM 265 CA LEU A 19 2.251 6.849 -8.570 1.00 44.42 C ATOM 266 C LEU A 19 1.556 7.543 -7.397 1.00 50.13 C ATOM 267 O LEU A 19 2.133 8.423 -6.760 1.00 63.14 O ATOM 268 CB LEU A 19 1.867 7.419 -9.937 1.00 63.43 C ATOM 269 CG LEU A 19 2.283 8.868 -10.201 1.00 75.23 C ATOM 270 CD1 LEU A 19 3.671 8.932 -10.842 1.00 3.42 C ATOM 271 CD2 LEU A 19 1.231 9.597 -11.040 1.00 31.44 C ATOM 0 H LEU A 19 1.377 5.077 -9.266 1.00 14.42 H new ATOM 0 HA LEU A 19 3.320 7.034 -8.462 1.00 44.42 H new ATOM 0 HB2 LEU A 19 2.309 6.789 -10.709 1.00 63.43 H new ATOM 0 HB3 LEU A 19 0.785 7.347 -10.048 1.00 63.43 H new ATOM 0 HG LEU A 19 2.346 9.385 -9.243 1.00 75.23 H new ATOM 0 HD11 LEU A 19 3.942 9.973 -11.019 1.00 3.42 H new ATOM 0 HD12 LEU A 19 4.401 8.475 -10.174 1.00 3.42 H new ATOM 0 HD13 LEU A 19 3.659 8.394 -11.790 1.00 3.42 H new ATOM 0 HD21 LEU A 19 1.551 10.624 -11.213 1.00 31.44 H new ATOM 0 HD22 LEU A 19 1.112 9.088 -11.997 1.00 31.44 H new ATOM 0 HD23 LEU A 19 0.279 9.598 -10.509 1.00 31.44 H new ATOM 283 N GLU A 20 0.324 7.123 -7.148 1.00 61.41 N ATOM 284 CA GLU A 20 -0.456 7.692 -6.063 1.00 34.23 C ATOM 285 C GLU A 20 -1.428 6.651 -5.504 1.00 51.25 C ATOM 286 O GLU A 20 -2.421 6.316 -6.148 1.00 30.04 O ATOM 287 CB GLU A 20 -1.201 8.946 -6.524 1.00 1.35 C ATOM 288 CG GLU A 20 -0.410 10.211 -6.184 1.00 62.12 C ATOM 289 CD GLU A 20 -0.465 11.218 -7.334 1.00 72.41 C ATOM 290 OE1 GLU A 20 -1.555 11.514 -7.846 1.00 42.32 O ATOM 291 OE2 GLU A 20 0.677 11.700 -7.693 1.00 74.20 O ATOM 0 H GLU A 20 -0.153 6.395 -7.680 1.00 61.41 H new ATOM 0 HA GLU A 20 0.227 7.986 -5.266 1.00 34.23 H new ATOM 0 HB2 GLU A 20 -1.371 8.897 -7.600 1.00 1.35 H new ATOM 0 HB3 GLU A 20 -2.181 8.987 -6.048 1.00 1.35 H new ATOM 0 HG2 GLU A 20 -0.814 10.665 -5.279 1.00 62.12 H new ATOM 0 HG3 GLU A 20 0.627 9.950 -5.974 1.00 62.12 H new ATOM 298 N GLU A 21 -1.107 6.168 -4.313 1.00 12.52 N ATOM 299 CA GLU A 21 -1.940 5.172 -3.661 1.00 11.45 C ATOM 300 C GLU A 21 -3.283 5.785 -3.256 1.00 40.01 C ATOM 301 O GLU A 21 -3.370 6.984 -3.000 1.00 52.20 O ATOM 302 CB GLU A 21 -1.226 4.569 -2.449 1.00 12.34 C ATOM 303 CG GLU A 21 -1.077 5.603 -1.330 1.00 42.22 C ATOM 304 CD GLU A 21 -0.968 4.921 0.035 1.00 23.13 C ATOM 305 OE1 GLU A 21 -0.393 3.826 0.137 1.00 32.05 O ATOM 306 OE2 GLU A 21 -1.503 5.570 1.013 1.00 75.30 O ATOM 0 H GLU A 21 -0.282 6.448 -3.783 1.00 12.52 H new ATOM 0 HA GLU A 21 -2.129 4.365 -4.369 1.00 11.45 H new ATOM 0 HB2 GLU A 21 -1.787 3.709 -2.082 1.00 12.34 H new ATOM 0 HB3 GLU A 21 -0.242 4.205 -2.746 1.00 12.34 H new ATOM 0 HG2 GLU A 21 -0.191 6.212 -1.508 1.00 42.22 H new ATOM 0 HG3 GLU A 21 -1.933 6.277 -1.336 1.00 42.22 H new ATOM 313 N GLY A 22 -4.296 4.932 -3.212 1.00 53.34 N ATOM 314 CA GLY A 22 -5.631 5.375 -2.845 1.00 62.13 C ATOM 315 C GLY A 22 -6.325 4.341 -1.956 1.00 31.24 C ATOM 316 O GLY A 22 -5.666 3.520 -1.320 1.00 3.04 O ATOM 0 H GLY A 22 -4.220 3.937 -3.424 1.00 53.34 H new ATOM 0 HA2 GLY A 22 -5.571 6.329 -2.321 1.00 62.13 H new ATOM 0 HA3 GLY A 22 -6.223 5.543 -3.745 1.00 62.13 H new ATOM 320 N GLY A 23 -7.648 4.415 -1.939 1.00 44.11 N ATOM 321 CA GLY A 23 -8.439 3.496 -1.139 1.00 31.33 C ATOM 322 C GLY A 23 -8.942 2.325 -1.985 1.00 51.31 C ATOM 323 O GLY A 23 -10.138 2.036 -2.003 1.00 10.23 O ATOM 0 H GLY A 23 -8.192 5.098 -2.467 1.00 44.11 H new ATOM 0 HA2 GLY A 23 -7.838 3.119 -0.311 1.00 31.33 H new ATOM 0 HA3 GLY A 23 -9.287 4.025 -0.703 1.00 31.33 H new ATOM 327 N GLY A 24 -8.004 1.682 -2.666 1.00 33.15 N ATOM 328 CA GLY A 24 -8.338 0.549 -3.511 1.00 71.52 C ATOM 329 C GLY A 24 -7.155 -0.413 -3.631 1.00 23.01 C ATOM 330 O GLY A 24 -6.050 -0.102 -3.188 1.00 3.23 O ATOM 0 H GLY A 24 -7.013 1.925 -2.649 1.00 33.15 H new ATOM 0 HA2 GLY A 24 -9.198 0.023 -3.097 1.00 71.52 H new ATOM 0 HA3 GLY A 24 -8.626 0.902 -4.501 1.00 71.52 H new ATOM 334 N THR A 25 -7.425 -1.561 -4.233 1.00 60.51 N ATOM 335 CA THR A 25 -6.396 -2.571 -4.417 1.00 22.40 C ATOM 336 C THR A 25 -6.218 -2.886 -5.903 1.00 51.04 C ATOM 337 O THR A 25 -7.189 -2.912 -6.657 1.00 31.41 O ATOM 338 CB THR A 25 -6.777 -3.793 -3.578 1.00 50.32 C ATOM 339 OG1 THR A 25 -6.458 -3.410 -2.243 1.00 21.32 O ATOM 340 CG2 THR A 25 -5.869 -4.994 -3.849 1.00 21.11 C ATOM 0 H THR A 25 -8.342 -1.815 -4.600 1.00 60.51 H new ATOM 0 HA THR A 25 -5.425 -2.213 -4.074 1.00 22.40 H new ATOM 0 HB THR A 25 -7.812 -4.067 -3.783 1.00 50.32 H new ATOM 0 HG1 THR A 25 -6.675 -4.144 -1.631 1.00 21.32 H new ATOM 0 HG21 THR A 25 -6.182 -5.834 -3.229 1.00 21.11 H new ATOM 0 HG22 THR A 25 -5.939 -5.273 -4.900 1.00 21.11 H new ATOM 0 HG23 THR A 25 -4.838 -4.732 -3.611 1.00 21.11 H new ATOM 348 N LEU A 26 -4.969 -3.117 -6.281 1.00 51.01 N ATOM 349 CA LEU A 26 -4.651 -3.429 -7.664 1.00 65.10 C ATOM 350 C LEU A 26 -5.043 -4.878 -7.959 1.00 33.44 C ATOM 351 O LEU A 26 -4.455 -5.808 -7.409 1.00 62.42 O ATOM 352 CB LEU A 26 -3.182 -3.118 -7.960 1.00 20.35 C ATOM 353 CG LEU A 26 -2.701 -1.720 -7.567 1.00 3.04 C ATOM 354 CD1 LEU A 26 -1.193 -1.712 -7.305 1.00 34.32 C ATOM 355 CD2 LEU A 26 -3.104 -0.685 -8.619 1.00 34.23 C ATOM 0 H LEU A 26 -4.165 -3.094 -5.653 1.00 51.01 H new ATOM 0 HA LEU A 26 -5.229 -2.798 -8.339 1.00 65.10 H new ATOM 0 HB2 LEU A 26 -2.564 -3.852 -7.443 1.00 20.35 H new ATOM 0 HB3 LEU A 26 -3.010 -3.253 -9.028 1.00 20.35 H new ATOM 0 HG LEU A 26 -3.192 -1.440 -6.635 1.00 3.04 H new ATOM 0 HD11 LEU A 26 -0.877 -0.706 -7.028 1.00 34.32 H new ATOM 0 HD12 LEU A 26 -0.961 -2.402 -6.494 1.00 34.32 H new ATOM 0 HD13 LEU A 26 -0.665 -2.022 -8.207 1.00 34.32 H new ATOM 0 HD21 LEU A 26 -2.750 0.300 -8.315 1.00 34.23 H new ATOM 0 HD22 LEU A 26 -2.660 -0.950 -9.579 1.00 34.23 H new ATOM 0 HD23 LEU A 26 -4.190 -0.667 -8.714 1.00 34.23 H new ATOM 367 N VAL A 27 -6.036 -5.024 -8.824 1.00 31.44 N ATOM 368 CA VAL A 27 -6.514 -6.345 -9.198 1.00 54.22 C ATOM 369 C VAL A 27 -6.191 -6.601 -10.671 1.00 41.00 C ATOM 370 O VAL A 27 -6.274 -5.692 -11.496 1.00 33.40 O ATOM 371 CB VAL A 27 -8.006 -6.469 -8.883 1.00 42.11 C ATOM 372 CG1 VAL A 27 -8.651 -7.582 -9.712 1.00 41.25 C ATOM 373 CG2 VAL A 27 -8.233 -6.698 -7.388 1.00 52.20 C ATOM 0 H VAL A 27 -6.523 -4.250 -9.277 1.00 31.44 H new ATOM 0 HA VAL A 27 -6.007 -7.114 -8.616 1.00 54.22 H new ATOM 0 HB VAL A 27 -8.485 -5.528 -9.155 1.00 42.11 H new ATOM 0 HG11 VAL A 27 -9.711 -7.649 -9.469 1.00 41.25 H new ATOM 0 HG12 VAL A 27 -8.535 -7.359 -10.773 1.00 41.25 H new ATOM 0 HG13 VAL A 27 -8.166 -8.532 -9.486 1.00 41.25 H new ATOM 0 HG21 VAL A 27 -9.302 -6.783 -7.191 1.00 52.20 H new ATOM 0 HG22 VAL A 27 -7.733 -7.617 -7.081 1.00 52.20 H new ATOM 0 HG23 VAL A 27 -7.826 -5.858 -6.825 1.00 52.20 H new ATOM 383 N CYS A 28 -5.827 -7.843 -10.957 1.00 20.30 N ATOM 384 CA CYS A 28 -5.491 -8.231 -12.317 1.00 3.42 C ATOM 385 C CYS A 28 -5.617 -9.751 -12.427 1.00 44.33 C ATOM 386 O CYS A 28 -5.032 -10.485 -11.634 1.00 21.45 O ATOM 387 CB CYS A 28 -4.096 -7.742 -12.715 1.00 33.23 C ATOM 388 SG CYS A 28 -3.756 -7.779 -14.512 1.00 43.23 S ATOM 0 H CYS A 28 -5.757 -8.594 -10.270 1.00 20.30 H new ATOM 0 HA CYS A 28 -6.182 -7.759 -13.015 1.00 3.42 H new ATOM 0 HB2 CYS A 28 -3.968 -6.721 -12.356 1.00 33.23 H new ATOM 0 HB3 CYS A 28 -3.352 -8.355 -12.206 1.00 33.23 H new ATOM 393 N CYS A 29 -6.384 -10.178 -13.420 1.00 72.15 N ATOM 394 CA CYS A 29 -6.594 -11.599 -13.646 1.00 11.51 C ATOM 395 C CYS A 29 -7.159 -12.210 -12.361 1.00 45.15 C ATOM 396 O CYS A 29 -6.585 -13.150 -11.813 1.00 53.04 O ATOM 397 CB CYS A 29 -5.308 -12.296 -14.093 1.00 22.45 C ATOM 398 SG CYS A 29 -4.483 -11.534 -15.537 1.00 52.55 S ATOM 0 H CYS A 29 -6.867 -9.566 -14.077 1.00 72.15 H new ATOM 0 HA CYS A 29 -7.307 -11.741 -14.459 1.00 11.51 H new ATOM 0 HB2 CYS A 29 -4.608 -12.307 -13.257 1.00 22.45 H new ATOM 0 HB3 CYS A 29 -5.538 -13.335 -14.330 1.00 22.45 H new ATOM 403 N GLY A 30 -8.276 -11.652 -11.920 1.00 63.22 N ATOM 404 CA GLY A 30 -8.925 -12.132 -10.712 1.00 11.53 C ATOM 405 C GLY A 30 -7.899 -12.399 -9.608 1.00 54.42 C ATOM 406 O GLY A 30 -8.137 -13.213 -8.718 1.00 75.51 O ATOM 0 H GLY A 30 -8.748 -10.872 -12.377 1.00 63.22 H new ATOM 0 HA2 GLY A 30 -9.652 -11.396 -10.368 1.00 11.53 H new ATOM 0 HA3 GLY A 30 -9.477 -13.047 -10.930 1.00 11.53 H new ATOM 410 N GLU A 31 -6.779 -11.696 -9.702 1.00 12.21 N ATOM 411 CA GLU A 31 -5.717 -11.847 -8.723 1.00 64.12 C ATOM 412 C GLU A 31 -5.307 -10.481 -8.169 1.00 24.40 C ATOM 413 O GLU A 31 -5.340 -9.481 -8.885 1.00 72.02 O ATOM 414 CB GLU A 31 -4.515 -12.578 -9.326 1.00 1.53 C ATOM 415 CG GLU A 31 -3.290 -12.462 -8.416 1.00 70.02 C ATOM 416 CD GLU A 31 -2.260 -13.544 -8.745 1.00 12.41 C ATOM 417 OE1 GLU A 31 -2.590 -14.739 -8.730 1.00 43.33 O ATOM 418 OE2 GLU A 31 -1.079 -13.106 -9.022 1.00 51.15 O ATOM 0 H GLU A 31 -6.585 -11.021 -10.441 1.00 12.21 H new ATOM 0 HA GLU A 31 -6.093 -12.453 -7.899 1.00 64.12 H new ATOM 0 HB2 GLU A 31 -4.762 -13.629 -9.477 1.00 1.53 H new ATOM 0 HB3 GLU A 31 -4.285 -12.161 -10.306 1.00 1.53 H new ATOM 0 HG2 GLU A 31 -2.838 -11.477 -8.532 1.00 70.02 H new ATOM 0 HG3 GLU A 31 -3.597 -12.551 -7.374 1.00 70.02 H new ATOM 425 N ASP A 32 -4.930 -10.482 -6.899 1.00 3.12 N ATOM 426 CA ASP A 32 -4.514 -9.255 -6.242 1.00 21.24 C ATOM 427 C ASP A 32 -3.058 -8.955 -6.605 1.00 14.53 C ATOM 428 O ASP A 32 -2.138 -9.515 -6.010 1.00 71.03 O ATOM 429 CB ASP A 32 -4.604 -9.388 -4.720 1.00 1.22 C ATOM 430 CG ASP A 32 -4.169 -10.745 -4.163 1.00 12.12 C ATOM 431 OD1 ASP A 32 -4.974 -11.684 -4.070 1.00 32.42 O ATOM 432 OD2 ASP A 32 -2.930 -10.818 -3.810 1.00 74.41 O ATOM 0 H ASP A 32 -4.904 -11.313 -6.308 1.00 3.12 H new ATOM 0 HA ASP A 32 -5.174 -8.454 -6.574 1.00 21.24 H new ATOM 0 HB2 ASP A 32 -3.989 -8.611 -4.265 1.00 1.22 H new ATOM 0 HB3 ASP A 32 -5.633 -9.199 -4.414 1.00 1.22 H new ATOM 437 N MET A 33 -2.894 -8.071 -7.578 1.00 74.40 N ATOM 438 CA MET A 33 -1.567 -7.690 -8.028 1.00 2.44 C ATOM 439 C MET A 33 -0.558 -7.760 -6.879 1.00 42.21 C ATOM 440 O MET A 33 -0.770 -7.163 -5.825 1.00 23.52 O ATOM 441 CB MET A 33 -1.605 -6.266 -8.587 1.00 75.03 C ATOM 442 CG MET A 33 -1.854 -6.277 -10.096 1.00 70.23 C ATOM 443 SD MET A 33 -1.192 -4.793 -10.834 1.00 52.24 S ATOM 444 CE MET A 33 0.484 -5.321 -11.144 1.00 33.23 C ATOM 0 H MET A 33 -3.659 -7.607 -8.068 1.00 74.40 H new ATOM 0 HA MET A 33 -1.254 -8.386 -8.806 1.00 2.44 H new ATOM 0 HB2 MET A 33 -2.390 -5.697 -8.089 1.00 75.03 H new ATOM 0 HB3 MET A 33 -0.662 -5.762 -8.374 1.00 75.03 H new ATOM 0 HG2 MET A 33 -1.388 -7.155 -10.544 1.00 70.23 H new ATOM 0 HG3 MET A 33 -2.923 -6.347 -10.296 1.00 70.23 H new ATOM 0 HE1 MET A 33 1.166 -4.489 -10.967 1.00 33.23 H new ATOM 0 HE2 MET A 33 0.735 -6.145 -10.476 1.00 33.23 H new ATOM 0 HE3 MET A 33 0.576 -5.652 -12.179 1.00 33.23 H new ATOM 454 N VAL A 34 0.518 -8.494 -7.123 1.00 33.40 N ATOM 455 CA VAL A 34 1.560 -8.650 -6.122 1.00 73.15 C ATOM 456 C VAL A 34 2.452 -7.408 -6.124 1.00 14.11 C ATOM 457 O VAL A 34 2.436 -6.629 -7.076 1.00 13.44 O ATOM 458 CB VAL A 34 2.337 -9.944 -6.373 1.00 73.23 C ATOM 459 CG1 VAL A 34 3.222 -10.293 -5.176 1.00 11.05 C ATOM 460 CG2 VAL A 34 1.388 -11.097 -6.709 1.00 44.34 C ATOM 0 H VAL A 34 0.691 -8.987 -7.999 1.00 33.40 H new ATOM 0 HA VAL A 34 1.124 -8.736 -5.127 1.00 73.15 H new ATOM 0 HB VAL A 34 2.986 -9.783 -7.234 1.00 73.23 H new ATOM 0 HG11 VAL A 34 3.763 -11.217 -5.381 1.00 11.05 H new ATOM 0 HG12 VAL A 34 3.934 -9.486 -5.002 1.00 11.05 H new ATOM 0 HG13 VAL A 34 2.601 -10.425 -4.290 1.00 11.05 H new ATOM 0 HG21 VAL A 34 1.966 -12.005 -6.883 1.00 44.34 H new ATOM 0 HG22 VAL A 34 0.702 -11.257 -5.878 1.00 44.34 H new ATOM 0 HG23 VAL A 34 0.820 -10.851 -7.606 1.00 44.34 H new ATOM 470 N LYS A 35 3.210 -7.260 -5.047 1.00 34.54 N ATOM 471 CA LYS A 35 4.106 -6.126 -4.912 1.00 23.33 C ATOM 472 C LYS A 35 5.554 -6.623 -4.906 1.00 72.44 C ATOM 473 O LYS A 35 5.873 -7.607 -4.241 1.00 62.32 O ATOM 474 CB LYS A 35 3.737 -5.295 -3.681 1.00 23.21 C ATOM 475 CG LYS A 35 4.449 -5.820 -2.432 1.00 13.20 C ATOM 476 CD LYS A 35 5.727 -5.027 -2.155 1.00 42.32 C ATOM 477 CE LYS A 35 5.420 -3.744 -1.378 1.00 73.43 C ATOM 478 NZ LYS A 35 5.454 -4.000 0.079 1.00 51.23 N ATOM 0 H LYS A 35 3.221 -7.908 -4.259 1.00 34.54 H new ATOM 0 HA LYS A 35 4.002 -5.455 -5.765 1.00 23.33 H new ATOM 0 HB2 LYS A 35 4.008 -4.252 -3.847 1.00 23.21 H new ATOM 0 HB3 LYS A 35 2.658 -5.324 -3.528 1.00 23.21 H new ATOM 0 HG2 LYS A 35 3.781 -5.752 -1.573 1.00 13.20 H new ATOM 0 HG3 LYS A 35 4.692 -6.874 -2.564 1.00 13.20 H new ATOM 0 HD2 LYS A 35 6.425 -5.642 -1.587 1.00 42.32 H new ATOM 0 HD3 LYS A 35 6.216 -4.778 -3.097 1.00 42.32 H new ATOM 0 HE2 LYS A 35 6.147 -2.973 -1.635 1.00 73.43 H new ATOM 0 HE3 LYS A 35 4.439 -3.365 -1.664 1.00 73.43 H new ATOM 0 HZ1 LYS A 35 5.244 -3.120 0.591 1.00 51.23 H new ATOM 0 HZ2 LYS A 35 4.744 -4.720 0.322 1.00 51.23 H new ATOM 0 HZ3 LYS A 35 6.399 -4.341 0.350 1.00 51.23 H new ATOM 491 N GLN A 36 6.389 -5.920 -5.657 1.00 25.14 N ATOM 492 CA GLN A 36 7.795 -6.278 -5.747 1.00 73.04 C ATOM 493 C GLN A 36 8.535 -5.847 -4.479 1.00 2.51 C ATOM 494 O GLN A 36 9.149 -4.781 -4.447 1.00 24.00 O ATOM 495 CB GLN A 36 8.438 -5.664 -6.993 1.00 70.42 C ATOM 496 CG GLN A 36 7.514 -5.792 -8.206 1.00 33.23 C ATOM 497 CD GLN A 36 7.493 -7.229 -8.730 1.00 11.21 C ATOM 498 OE1 GLN A 36 8.437 -7.710 -9.335 1.00 71.21 O ATOM 499 NE2 GLN A 36 6.366 -7.885 -8.467 1.00 1.13 N ATOM 0 H GLN A 36 6.120 -5.105 -6.208 1.00 25.14 H new ATOM 0 HA GLN A 36 7.869 -7.362 -5.836 1.00 73.04 H new ATOM 0 HB2 GLN A 36 8.662 -4.613 -6.811 1.00 70.42 H new ATOM 0 HB3 GLN A 36 9.386 -6.160 -7.200 1.00 70.42 H new ATOM 0 HG2 GLN A 36 6.504 -5.486 -7.932 1.00 33.23 H new ATOM 0 HG3 GLN A 36 7.848 -5.118 -8.995 1.00 33.23 H new ATOM 0 HE21 GLN A 36 5.614 -7.423 -7.956 1.00 1.13 H new ATOM 0 HE22 GLN A 36 6.254 -8.850 -8.777 1.00 1.13 H new TER 508 GLN A 36 ATOM 509 N ALA B 1 -2.518 0.169 -24.294 1.00 61.02 N ATOM 510 CA ALA B 1 -1.926 0.880 -23.174 1.00 41.41 C ATOM 511 C ALA B 1 -0.509 1.321 -23.545 1.00 52.14 C ATOM 512 O ALA B 1 0.003 2.299 -23.004 1.00 13.12 O ATOM 513 CB ALA B 1 -1.952 -0.012 -21.931 1.00 1.43 C ATOM 0 H1 ALA B 1 -3.545 0.091 -24.152 1.00 61.02 H new ATOM 0 H2 ALA B 1 -2.329 0.689 -25.175 1.00 61.02 H new ATOM 0 H3 ALA B 1 -2.105 -0.783 -24.358 1.00 61.02 H new ATOM 0 HA ALA B 1 -2.500 1.777 -22.944 1.00 41.41 H new ATOM 0 HB1 ALA B 1 -1.508 0.522 -21.091 1.00 1.43 H new ATOM 0 HB2 ALA B 1 -2.983 -0.272 -21.691 1.00 1.43 H new ATOM 0 HB3 ALA B 1 -1.384 -0.922 -22.124 1.00 1.43 H new ATOM 519 N ASN B 2 0.084 0.579 -24.469 1.00 2.05 N ATOM 520 CA ASN B 2 1.432 0.881 -24.920 1.00 5.14 C ATOM 521 C ASN B 2 2.310 1.204 -23.709 1.00 31.11 C ATOM 522 O ASN B 2 2.298 2.329 -23.212 1.00 43.31 O ATOM 523 CB ASN B 2 1.442 2.095 -25.849 1.00 3.54 C ATOM 524 CG ASN B 2 0.571 3.222 -25.290 1.00 22.04 C ATOM 525 OD1 ASN B 2 -0.647 3.190 -25.356 1.00 2.31 O ATOM 526 ND2 ASN B 2 1.261 4.215 -24.736 1.00 35.22 N ATOM 0 H ASN B 2 -0.344 -0.231 -24.918 1.00 2.05 H new ATOM 0 HA ASN B 2 1.810 0.012 -25.458 1.00 5.14 H new ATOM 0 HB2 ASN B 2 2.464 2.451 -25.977 1.00 3.54 H new ATOM 0 HB3 ASN B 2 1.079 1.805 -26.835 1.00 3.54 H new ATOM 0 HD21 ASN B 2 0.771 5.013 -24.333 1.00 35.22 H new ATOM 0 HD22 ASN B 2 2.280 4.178 -24.715 1.00 35.22 H new ATOM 533 N GLU B 3 3.050 0.197 -23.269 1.00 11.10 N ATOM 534 CA GLU B 3 3.932 0.360 -22.126 1.00 23.13 C ATOM 535 C GLU B 3 4.355 1.823 -21.986 1.00 45.42 C ATOM 536 O GLU B 3 4.766 2.450 -22.962 1.00 63.43 O ATOM 537 CB GLU B 3 5.152 -0.556 -22.240 1.00 3.21 C ATOM 538 CG GLU B 3 6.175 -0.245 -21.145 1.00 55.11 C ATOM 539 CD GLU B 3 7.384 -1.178 -21.243 1.00 74.34 C ATOM 540 OE1 GLU B 3 7.266 -2.291 -21.776 1.00 23.24 O ATOM 541 OE2 GLU B 3 8.476 -0.708 -20.743 1.00 23.41 O ATOM 0 H GLU B 3 3.057 -0.735 -23.684 1.00 11.10 H new ATOM 0 HA GLU B 3 3.387 0.073 -21.227 1.00 23.13 H new ATOM 0 HB2 GLU B 3 4.838 -1.597 -22.164 1.00 3.21 H new ATOM 0 HB3 GLU B 3 5.614 -0.433 -23.220 1.00 3.21 H new ATOM 0 HG2 GLU B 3 6.503 0.791 -21.232 1.00 55.11 H new ATOM 0 HG3 GLU B 3 5.708 -0.350 -20.166 1.00 55.11 H new ATOM 548 N GLY B 4 4.240 2.326 -20.766 1.00 72.43 N ATOM 549 CA GLY B 4 4.606 3.704 -20.487 1.00 11.04 C ATOM 550 C GLY B 4 3.362 4.571 -20.280 1.00 21.14 C ATOM 551 O GLY B 4 3.460 5.794 -20.191 1.00 22.22 O ATOM 0 H GLY B 4 3.898 1.804 -19.959 1.00 72.43 H new ATOM 0 HA2 GLY B 4 5.234 3.744 -19.597 1.00 11.04 H new ATOM 0 HA3 GLY B 4 5.197 4.101 -21.312 1.00 11.04 H new ATOM 555 N ASP B 5 2.219 3.902 -20.210 1.00 44.31 N ATOM 556 CA ASP B 5 0.958 4.596 -20.016 1.00 22.14 C ATOM 557 C ASP B 5 0.689 4.748 -18.516 1.00 62.23 C ATOM 558 O ASP B 5 1.278 4.037 -17.702 1.00 51.42 O ATOM 559 CB ASP B 5 -0.203 3.809 -20.626 1.00 41.24 C ATOM 560 CG ASP B 5 -0.841 4.451 -21.860 1.00 20.01 C ATOM 561 OD1 ASP B 5 -0.241 5.319 -22.511 1.00 40.00 O ATOM 562 OD2 ASP B 5 -2.022 4.018 -22.151 1.00 4.42 O ATOM 0 H ASP B 5 2.141 2.888 -20.284 1.00 44.31 H new ATOM 0 HA ASP B 5 1.030 5.569 -20.503 1.00 22.14 H new ATOM 0 HB2 ASP B 5 0.153 2.815 -20.895 1.00 41.24 H new ATOM 0 HB3 ASP B 5 -0.972 3.677 -19.865 1.00 41.24 H new ATOM 567 N VAL B 6 -0.199 5.677 -18.198 1.00 21.11 N ATOM 568 CA VAL B 6 -0.553 5.931 -16.812 1.00 32.24 C ATOM 569 C VAL B 6 -2.063 5.764 -16.636 1.00 60.11 C ATOM 570 O VAL B 6 -2.843 6.222 -17.470 1.00 12.31 O ATOM 571 CB VAL B 6 -0.051 7.312 -16.388 1.00 43.02 C ATOM 572 CG1 VAL B 6 -0.829 7.830 -15.177 1.00 4.34 C ATOM 573 CG2 VAL B 6 1.452 7.286 -16.104 1.00 43.23 C ATOM 0 H VAL B 6 -0.685 6.264 -18.877 1.00 21.11 H new ATOM 0 HA VAL B 6 -0.068 5.208 -16.156 1.00 32.24 H new ATOM 0 HB VAL B 6 -0.223 8.000 -17.216 1.00 43.02 H new ATOM 0 HG11 VAL B 6 -0.452 8.813 -14.896 1.00 4.34 H new ATOM 0 HG12 VAL B 6 -1.887 7.905 -15.429 1.00 4.34 H new ATOM 0 HG13 VAL B 6 -0.703 7.141 -14.342 1.00 4.34 H new ATOM 0 HG21 VAL B 6 1.783 8.280 -15.805 1.00 43.23 H new ATOM 0 HG22 VAL B 6 1.658 6.578 -15.301 1.00 43.23 H new ATOM 0 HG23 VAL B 6 1.987 6.981 -17.003 1.00 43.23 H new ATOM 583 N TYR B 7 -2.432 5.106 -15.547 1.00 3.11 N ATOM 584 CA TYR B 7 -3.835 4.873 -15.251 1.00 43.10 C ATOM 585 C TYR B 7 -4.210 5.448 -13.883 1.00 63.34 C ATOM 586 O TYR B 7 -3.475 5.276 -12.912 1.00 55.22 O ATOM 587 CB TYR B 7 -4.013 3.355 -15.220 1.00 32.55 C ATOM 588 CG TYR B 7 -4.390 2.743 -16.570 1.00 74.33 C ATOM 589 CD1 TYR B 7 -3.548 2.891 -17.654 1.00 40.12 C ATOM 590 CD2 TYR B 7 -5.572 2.044 -16.706 1.00 13.54 C ATOM 591 CE1 TYR B 7 -3.903 2.316 -18.926 1.00 40.42 C ATOM 592 CE2 TYR B 7 -5.927 1.470 -17.978 1.00 33.24 C ATOM 593 CZ TYR B 7 -5.075 1.634 -19.024 1.00 74.13 C ATOM 594 OH TYR B 7 -5.411 1.091 -20.226 1.00 44.22 O ATOM 0 H TYR B 7 -1.783 4.726 -14.858 1.00 3.11 H new ATOM 0 HA TYR B 7 -4.469 5.353 -15.997 1.00 43.10 H new ATOM 0 HB2 TYR B 7 -3.086 2.898 -14.872 1.00 32.55 H new ATOM 0 HB3 TYR B 7 -4.785 3.105 -14.492 1.00 32.55 H new ATOM 0 HD1 TYR B 7 -2.623 3.438 -17.548 1.00 40.12 H new ATOM 0 HD2 TYR B 7 -6.231 1.927 -15.858 1.00 13.54 H new ATOM 0 HE1 TYR B 7 -3.253 2.424 -19.782 1.00 40.42 H new ATOM 0 HE2 TYR B 7 -6.850 0.922 -18.098 1.00 33.24 H new ATOM 0 HH TYR B 7 -6.273 0.632 -20.148 1.00 44.22 H new ATOM 604 N LYS B 8 -5.352 6.118 -13.852 1.00 33.43 N ATOM 605 CA LYS B 8 -5.835 6.718 -12.619 1.00 44.04 C ATOM 606 C LYS B 8 -7.307 6.351 -12.420 1.00 3.44 C ATOM 607 O LYS B 8 -8.020 6.084 -13.386 1.00 3.01 O ATOM 608 CB LYS B 8 -5.569 8.225 -12.618 1.00 55.12 C ATOM 609 CG LYS B 8 -6.562 8.955 -11.711 1.00 22.12 C ATOM 610 CD LYS B 8 -6.130 10.405 -11.481 1.00 21.41 C ATOM 611 CE LYS B 8 -6.508 10.873 -10.074 1.00 64.52 C ATOM 612 NZ LYS B 8 -5.365 11.562 -9.433 1.00 23.33 N ATOM 0 H LYS B 8 -5.957 6.259 -14.661 1.00 33.43 H new ATOM 0 HA LYS B 8 -5.290 6.321 -11.762 1.00 44.04 H new ATOM 0 HB2 LYS B 8 -4.551 8.418 -12.279 1.00 55.12 H new ATOM 0 HB3 LYS B 8 -5.646 8.612 -13.634 1.00 55.12 H new ATOM 0 HG2 LYS B 8 -7.554 8.934 -12.161 1.00 22.12 H new ATOM 0 HG3 LYS B 8 -6.635 8.437 -10.755 1.00 22.12 H new ATOM 0 HD2 LYS B 8 -5.053 10.494 -11.620 1.00 21.41 H new ATOM 0 HD3 LYS B 8 -6.602 11.051 -12.222 1.00 21.41 H new ATOM 0 HE2 LYS B 8 -7.364 11.546 -10.126 1.00 64.52 H new ATOM 0 HE3 LYS B 8 -6.811 10.018 -9.469 1.00 64.52 H new ATOM 0 HZ1 LYS B 8 -5.718 12.220 -8.710 1.00 23.33 H new ATOM 0 HZ2 LYS B 8 -4.742 10.859 -8.987 1.00 23.33 H new ATOM 0 HZ3 LYS B 8 -4.831 12.091 -10.152 1.00 23.33 H new ATOM 625 N CYS B 9 -7.718 6.352 -11.161 1.00 22.34 N ATOM 626 CA CYS B 9 -9.092 6.023 -10.821 1.00 41.35 C ATOM 627 C CYS B 9 -9.827 7.321 -10.482 1.00 0.13 C ATOM 628 O CYS B 9 -9.200 8.364 -10.304 1.00 1.54 O ATOM 629 CB CYS B 9 -9.166 5.008 -9.678 1.00 40.43 C ATOM 630 SG CYS B 9 -10.843 4.353 -9.341 1.00 61.32 S ATOM 0 H CYS B 9 -7.123 6.576 -10.363 1.00 22.34 H new ATOM 0 HA CYS B 9 -9.575 5.545 -11.673 1.00 41.35 H new ATOM 0 HB2 CYS B 9 -8.505 4.173 -9.909 1.00 40.43 H new ATOM 0 HB3 CYS B 9 -8.784 5.475 -8.770 1.00 40.43 H new ATOM 635 N GLU B 10 -11.145 7.214 -10.402 1.00 2.23 N ATOM 636 CA GLU B 10 -11.971 8.367 -10.087 1.00 32.41 C ATOM 637 C GLU B 10 -12.538 8.242 -8.670 1.00 43.24 C ATOM 638 O GLU B 10 -12.930 9.239 -8.065 1.00 62.22 O ATOM 639 CB GLU B 10 -13.094 8.533 -11.112 1.00 54.53 C ATOM 640 CG GLU B 10 -12.528 8.857 -12.496 1.00 72.34 C ATOM 641 CD GLU B 10 -11.838 10.223 -12.501 1.00 72.42 C ATOM 642 OE1 GLU B 10 -12.318 11.162 -11.849 1.00 64.13 O ATOM 643 OE2 GLU B 10 -10.765 10.289 -13.214 1.00 64.13 O ATOM 0 H GLU B 10 -11.661 6.347 -10.550 1.00 2.23 H new ATOM 0 HA GLU B 10 -11.347 9.260 -10.132 1.00 32.41 H new ATOM 0 HB2 GLU B 10 -13.684 7.618 -11.161 1.00 54.53 H new ATOM 0 HB3 GLU B 10 -13.767 9.330 -10.794 1.00 54.53 H new ATOM 0 HG2 GLU B 10 -11.817 8.086 -12.792 1.00 72.34 H new ATOM 0 HG3 GLU B 10 -13.332 8.849 -13.232 1.00 72.34 H new ATOM 650 N LEU B 11 -12.562 7.010 -8.183 1.00 5.40 N ATOM 651 CA LEU B 11 -13.073 6.743 -6.850 1.00 70.20 C ATOM 652 C LEU B 11 -11.924 6.827 -5.841 1.00 53.13 C ATOM 653 O LEU B 11 -11.798 7.815 -5.121 1.00 4.35 O ATOM 654 CB LEU B 11 -13.821 5.408 -6.821 1.00 24.04 C ATOM 655 CG LEU B 11 -14.427 4.950 -8.148 1.00 32.45 C ATOM 656 CD1 LEU B 11 -14.927 3.507 -8.053 1.00 3.31 C ATOM 657 CD2 LEU B 11 -15.528 5.909 -8.607 1.00 32.11 C ATOM 0 H LEU B 11 -12.236 6.186 -8.688 1.00 5.40 H new ATOM 0 HA LEU B 11 -13.805 7.499 -6.564 1.00 70.20 H new ATOM 0 HB2 LEU B 11 -13.134 4.637 -6.473 1.00 24.04 H new ATOM 0 HB3 LEU B 11 -14.621 5.478 -6.084 1.00 24.04 H new ATOM 0 HG LEU B 11 -13.645 4.970 -8.907 1.00 32.45 H new ATOM 0 HD11 LEU B 11 -15.353 3.206 -9.010 1.00 3.31 H new ATOM 0 HD12 LEU B 11 -14.094 2.849 -7.804 1.00 3.31 H new ATOM 0 HD13 LEU B 11 -15.690 3.437 -7.278 1.00 3.31 H new ATOM 0 HD21 LEU B 11 -15.943 5.561 -9.553 1.00 32.11 H new ATOM 0 HD22 LEU B 11 -16.317 5.943 -7.856 1.00 32.11 H new ATOM 0 HD23 LEU B 11 -15.109 6.907 -8.740 1.00 32.11 H new ATOM 669 N CYS B 12 -11.117 5.776 -5.823 1.00 53.45 N ATOM 670 CA CYS B 12 -9.984 5.719 -4.916 1.00 31.24 C ATOM 671 C CYS B 12 -9.011 6.838 -5.290 1.00 41.55 C ATOM 672 O CYS B 12 -8.282 7.342 -4.439 1.00 4.35 O ATOM 673 CB CYS B 12 -9.311 4.345 -4.938 1.00 42.41 C ATOM 674 SG CYS B 12 -8.893 3.722 -6.607 1.00 54.42 S ATOM 0 H CYS B 12 -11.226 4.958 -6.422 1.00 53.45 H new ATOM 0 HA CYS B 12 -10.327 5.866 -3.892 1.00 31.24 H new ATOM 0 HB2 CYS B 12 -8.398 4.394 -4.345 1.00 42.41 H new ATOM 0 HB3 CYS B 12 -9.970 3.626 -4.451 1.00 42.41 H new ATOM 679 N GLY B 13 -9.032 7.194 -6.566 1.00 42.14 N ATOM 680 CA GLY B 13 -8.161 8.244 -7.065 1.00 42.43 C ATOM 681 C GLY B 13 -6.703 7.780 -7.094 1.00 52.23 C ATOM 682 O GLY B 13 -5.786 8.591 -6.970 1.00 15.04 O ATOM 0 H GLY B 13 -9.639 6.773 -7.270 1.00 42.14 H new ATOM 0 HA2 GLY B 13 -8.474 8.535 -8.068 1.00 42.43 H new ATOM 0 HA3 GLY B 13 -8.253 9.128 -6.434 1.00 42.43 H new ATOM 686 N GLN B 14 -6.534 6.476 -7.259 1.00 22.30 N ATOM 687 CA GLN B 14 -5.204 5.894 -7.306 1.00 41.21 C ATOM 688 C GLN B 14 -4.621 6.014 -8.716 1.00 41.40 C ATOM 689 O GLN B 14 -5.335 5.847 -9.703 1.00 52.21 O ATOM 690 CB GLN B 14 -5.226 4.435 -6.846 1.00 14.53 C ATOM 691 CG GLN B 14 -3.847 3.792 -6.994 1.00 1.02 C ATOM 692 CD GLN B 14 -3.947 2.435 -7.695 1.00 1.01 C ATOM 693 OE1 GLN B 14 -3.554 2.268 -8.838 1.00 33.44 O ATOM 694 NE2 GLN B 14 -4.493 1.479 -6.948 1.00 41.34 N ATOM 0 H GLN B 14 -7.296 5.806 -7.362 1.00 22.30 H new ATOM 0 HA GLN B 14 -4.563 6.448 -6.620 1.00 41.21 H new ATOM 0 HB2 GLN B 14 -5.545 4.383 -5.805 1.00 14.53 H new ATOM 0 HB3 GLN B 14 -5.956 3.876 -7.432 1.00 14.53 H new ATOM 0 HG2 GLN B 14 -3.193 4.452 -7.564 1.00 1.02 H new ATOM 0 HG3 GLN B 14 -3.394 3.665 -6.011 1.00 1.02 H new ATOM 0 HE21 GLN B 14 -4.801 1.687 -5.998 1.00 41.34 H new ATOM 0 HE22 GLN B 14 -4.604 0.538 -7.325 1.00 41.34 H new ATOM 703 N VAL B 15 -3.329 6.305 -8.765 1.00 22.34 N ATOM 704 CA VAL B 15 -2.642 6.449 -10.037 1.00 22.11 C ATOM 705 C VAL B 15 -1.457 5.483 -10.085 1.00 5.24 C ATOM 706 O VAL B 15 -0.708 5.365 -9.116 1.00 0.41 O ATOM 707 CB VAL B 15 -2.233 7.908 -10.248 1.00 45.11 C ATOM 708 CG1 VAL B 15 -1.470 8.079 -11.563 1.00 51.41 C ATOM 709 CG2 VAL B 15 -3.451 8.832 -10.197 1.00 2.04 C ATOM 0 H VAL B 15 -2.740 6.445 -7.944 1.00 22.34 H new ATOM 0 HA VAL B 15 -3.306 6.189 -10.861 1.00 22.11 H new ATOM 0 HB VAL B 15 -1.565 8.189 -9.434 1.00 45.11 H new ATOM 0 HG11 VAL B 15 -1.191 9.125 -11.688 1.00 51.41 H new ATOM 0 HG12 VAL B 15 -0.571 7.463 -11.545 1.00 51.41 H new ATOM 0 HG13 VAL B 15 -2.104 7.770 -12.394 1.00 51.41 H new ATOM 0 HG21 VAL B 15 -3.132 9.863 -10.350 1.00 2.04 H new ATOM 0 HG22 VAL B 15 -4.155 8.550 -10.980 1.00 2.04 H new ATOM 0 HG23 VAL B 15 -3.935 8.742 -9.225 1.00 2.04 H new ATOM 719 N VAL B 16 -1.323 4.816 -11.222 1.00 15.53 N ATOM 720 CA VAL B 16 -0.242 3.863 -11.408 1.00 2.41 C ATOM 721 C VAL B 16 0.280 3.967 -12.843 1.00 23.33 C ATOM 722 O VAL B 16 -0.368 4.561 -13.702 1.00 1.25 O ATOM 723 CB VAL B 16 -0.716 2.456 -11.044 1.00 24.40 C ATOM 724 CG1 VAL B 16 -0.915 2.317 -9.534 1.00 32.24 C ATOM 725 CG2 VAL B 16 -1.995 2.095 -11.801 1.00 33.20 C ATOM 0 H VAL B 16 -1.945 4.917 -12.024 1.00 15.53 H new ATOM 0 HA VAL B 16 0.589 4.092 -10.742 1.00 2.41 H new ATOM 0 HB VAL B 16 0.061 1.753 -11.345 1.00 24.40 H new ATOM 0 HG11 VAL B 16 -1.252 1.307 -9.303 1.00 32.24 H new ATOM 0 HG12 VAL B 16 0.028 2.510 -9.023 1.00 32.24 H new ATOM 0 HG13 VAL B 16 -1.663 3.035 -9.198 1.00 32.24 H new ATOM 0 HG21 VAL B 16 -2.310 1.089 -11.524 1.00 33.20 H new ATOM 0 HG22 VAL B 16 -2.782 2.805 -11.546 1.00 33.20 H new ATOM 0 HG23 VAL B 16 -1.806 2.133 -12.874 1.00 33.20 H new ATOM 735 N LYS B 17 1.448 3.377 -13.057 1.00 4.34 N ATOM 736 CA LYS B 17 2.065 3.396 -14.372 1.00 71.53 C ATOM 737 C LYS B 17 2.073 1.977 -14.947 1.00 10.14 C ATOM 738 O LYS B 17 1.954 1.003 -14.205 1.00 30.12 O ATOM 739 CB LYS B 17 3.451 4.040 -14.305 1.00 44.14 C ATOM 740 CG LYS B 17 4.035 4.232 -15.707 1.00 0.42 C ATOM 741 CD LYS B 17 5.461 4.780 -15.636 1.00 4.11 C ATOM 742 CE LYS B 17 5.513 6.237 -16.098 1.00 12.54 C ATOM 743 NZ LYS B 17 6.652 6.449 -17.019 1.00 15.13 N ATOM 0 H LYS B 17 1.982 2.883 -12.342 1.00 4.34 H new ATOM 0 HA LYS B 17 1.485 4.015 -15.056 1.00 71.53 H new ATOM 0 HB2 LYS B 17 3.384 5.004 -13.800 1.00 44.14 H new ATOM 0 HB3 LYS B 17 4.118 3.415 -13.712 1.00 44.14 H new ATOM 0 HG2 LYS B 17 4.033 3.281 -16.239 1.00 0.42 H new ATOM 0 HG3 LYS B 17 3.406 4.917 -16.276 1.00 0.42 H new ATOM 0 HD2 LYS B 17 5.832 4.706 -14.614 1.00 4.11 H new ATOM 0 HD3 LYS B 17 6.119 4.174 -16.259 1.00 4.11 H new ATOM 0 HE2 LYS B 17 4.580 6.500 -16.597 1.00 12.54 H new ATOM 0 HE3 LYS B 17 5.609 6.895 -15.234 1.00 12.54 H new ATOM 0 HZ1 LYS B 17 6.672 7.443 -17.323 1.00 15.13 H new ATOM 0 HZ2 LYS B 17 7.541 6.218 -16.531 1.00 15.13 H new ATOM 0 HZ3 LYS B 17 6.544 5.835 -17.851 1.00 15.13 H new ATOM 756 N VAL B 18 2.216 1.907 -16.261 1.00 61.32 N ATOM 757 CA VAL B 18 2.241 0.624 -16.944 1.00 24.10 C ATOM 758 C VAL B 18 3.677 0.305 -17.367 1.00 34.11 C ATOM 759 O VAL B 18 4.073 0.591 -18.495 1.00 2.21 O ATOM 760 CB VAL B 18 1.260 0.636 -18.118 1.00 31.13 C ATOM 761 CG1 VAL B 18 1.404 -0.630 -18.965 1.00 15.31 C ATOM 762 CG2 VAL B 18 -0.178 0.807 -17.628 1.00 14.41 C ATOM 0 H VAL B 18 2.316 2.718 -16.872 1.00 61.32 H new ATOM 0 HA VAL B 18 1.915 -0.172 -16.274 1.00 24.10 H new ATOM 0 HB VAL B 18 1.503 1.491 -18.749 1.00 31.13 H new ATOM 0 HG11 VAL B 18 0.696 -0.597 -19.793 1.00 15.31 H new ATOM 0 HG12 VAL B 18 2.419 -0.691 -19.358 1.00 15.31 H new ATOM 0 HG13 VAL B 18 1.200 -1.505 -18.348 1.00 15.31 H new ATOM 0 HG21 VAL B 18 -0.855 0.812 -18.482 1.00 14.41 H new ATOM 0 HG22 VAL B 18 -0.437 -0.018 -16.965 1.00 14.41 H new ATOM 0 HG23 VAL B 18 -0.269 1.749 -17.087 1.00 14.41 H new ATOM 772 N LEU B 19 4.416 -0.285 -16.439 1.00 33.14 N ATOM 773 CA LEU B 19 5.798 -0.647 -16.701 1.00 40.20 C ATOM 774 C LEU B 19 5.839 -1.761 -17.748 1.00 41.45 C ATOM 775 O LEU B 19 6.677 -1.740 -18.650 1.00 0.15 O ATOM 776 CB LEU B 19 6.516 -1.001 -15.397 1.00 50.33 C ATOM 777 CG LEU B 19 7.759 -0.171 -15.069 1.00 43.24 C ATOM 778 CD1 LEU B 19 8.837 -0.350 -16.140 1.00 2.51 C ATOM 779 CD2 LEU B 19 7.396 1.301 -14.862 1.00 24.04 C ATOM 0 H LEU B 19 4.083 -0.521 -15.504 1.00 33.14 H new ATOM 0 HA LEU B 19 6.342 0.201 -17.117 1.00 40.20 H new ATOM 0 HB2 LEU B 19 5.807 -0.897 -14.575 1.00 50.33 H new ATOM 0 HB3 LEU B 19 6.805 -2.051 -15.438 1.00 50.33 H new ATOM 0 HG LEU B 19 8.175 -0.536 -14.130 1.00 43.24 H new ATOM 0 HD11 LEU B 19 9.709 0.251 -15.882 1.00 2.51 H new ATOM 0 HD12 LEU B 19 9.123 -1.400 -16.196 1.00 2.51 H new ATOM 0 HD13 LEU B 19 8.447 -0.028 -17.106 1.00 2.51 H new ATOM 0 HD21 LEU B 19 8.297 1.869 -14.630 1.00 24.04 H new ATOM 0 HD22 LEU B 19 6.943 1.695 -15.771 1.00 24.04 H new ATOM 0 HD23 LEU B 19 6.689 1.389 -14.037 1.00 24.04 H new ATOM 791 N GLU B 20 4.925 -2.707 -17.595 1.00 32.50 N ATOM 792 CA GLU B 20 4.847 -3.829 -18.517 1.00 51.40 C ATOM 793 C GLU B 20 3.388 -4.117 -18.878 1.00 12.42 C ATOM 794 O GLU B 20 2.580 -4.436 -18.007 1.00 63.32 O ATOM 795 CB GLU B 20 5.521 -5.069 -17.930 1.00 24.43 C ATOM 796 CG GLU B 20 5.069 -6.336 -18.658 1.00 21.41 C ATOM 797 CD GLU B 20 5.521 -6.320 -20.119 1.00 63.45 C ATOM 798 OE1 GLU B 20 5.420 -5.281 -20.788 1.00 22.12 O ATOM 799 OE2 GLU B 20 5.993 -7.439 -20.556 1.00 40.31 O ATOM 0 H GLU B 20 4.232 -2.721 -16.847 1.00 32.50 H new ATOM 0 HA GLU B 20 5.382 -3.563 -19.429 1.00 51.40 H new ATOM 0 HB2 GLU B 20 6.604 -4.969 -18.006 1.00 24.43 H new ATOM 0 HB3 GLU B 20 5.282 -5.150 -16.870 1.00 24.43 H new ATOM 0 HG2 GLU B 20 5.478 -7.213 -18.157 1.00 21.41 H new ATOM 0 HG3 GLU B 20 3.983 -6.419 -18.610 1.00 21.41 H new ATOM 806 N GLU B 21 3.095 -3.993 -20.165 1.00 31.14 N ATOM 807 CA GLU B 21 1.748 -4.236 -20.652 1.00 31.53 C ATOM 808 C GLU B 21 1.165 -5.491 -19.997 1.00 3.44 C ATOM 809 O GLU B 21 1.907 -6.354 -19.529 1.00 63.14 O ATOM 810 CB GLU B 21 1.730 -4.356 -22.177 1.00 30.42 C ATOM 811 CG GLU B 21 2.073 -3.019 -22.836 1.00 1.20 C ATOM 812 CD GLU B 21 2.132 -3.157 -24.359 1.00 14.44 C ATOM 813 OE1 GLU B 21 2.611 -4.179 -24.871 1.00 32.45 O ATOM 814 OE2 GLU B 21 1.654 -2.154 -25.015 1.00 42.15 O ATOM 0 H GLU B 21 3.767 -3.728 -20.885 1.00 31.14 H new ATOM 0 HA GLU B 21 1.125 -3.384 -20.380 1.00 31.53 H new ATOM 0 HB2 GLU B 21 2.444 -5.116 -22.494 1.00 30.42 H new ATOM 0 HB3 GLU B 21 0.745 -4.687 -22.508 1.00 30.42 H new ATOM 0 HG2 GLU B 21 1.326 -2.273 -22.564 1.00 1.20 H new ATOM 0 HG3 GLU B 21 3.032 -2.661 -22.462 1.00 1.20 H new ATOM 821 N GLY B 22 -0.158 -5.552 -19.982 1.00 75.42 N ATOM 822 CA GLY B 22 -0.849 -6.685 -19.392 1.00 61.44 C ATOM 823 C GLY B 22 -1.856 -7.287 -20.375 1.00 42.42 C ATOM 824 O GLY B 22 -1.785 -7.030 -21.577 1.00 33.33 O ATOM 0 H GLY B 22 -0.770 -4.834 -20.370 1.00 75.42 H new ATOM 0 HA2 GLY B 22 -0.124 -7.444 -19.098 1.00 61.44 H new ATOM 0 HA3 GLY B 22 -1.365 -6.369 -18.485 1.00 61.44 H new ATOM 828 N GLY B 23 -2.769 -8.075 -19.828 1.00 72.45 N ATOM 829 CA GLY B 23 -3.790 -8.715 -20.643 1.00 64.01 C ATOM 830 C GLY B 23 -5.167 -8.597 -19.988 1.00 62.40 C ATOM 831 O GLY B 23 -6.154 -8.301 -20.659 1.00 42.15 O ATOM 0 H GLY B 23 -2.824 -8.286 -18.831 1.00 72.45 H new ATOM 0 HA2 GLY B 23 -3.813 -8.255 -21.631 1.00 64.01 H new ATOM 0 HA3 GLY B 23 -3.540 -9.766 -20.786 1.00 64.01 H new ATOM 835 N GLY B 24 -5.190 -8.837 -18.685 1.00 5.11 N ATOM 836 CA GLY B 24 -6.430 -8.762 -17.932 1.00 0.32 C ATOM 837 C GLY B 24 -6.887 -7.310 -17.772 1.00 22.44 C ATOM 838 O GLY B 24 -6.651 -6.481 -18.649 1.00 13.13 O ATOM 0 H GLY B 24 -4.369 -9.084 -18.132 1.00 5.11 H new ATOM 0 HA2 GLY B 24 -7.204 -9.337 -18.441 1.00 0.32 H new ATOM 0 HA3 GLY B 24 -6.291 -9.214 -16.950 1.00 0.32 H new ATOM 842 N THR B 25 -7.532 -7.048 -16.645 1.00 10.32 N ATOM 843 CA THR B 25 -8.024 -5.711 -16.359 1.00 21.13 C ATOM 844 C THR B 25 -7.464 -5.211 -15.025 1.00 43.40 C ATOM 845 O THR B 25 -7.213 -6.001 -14.118 1.00 32.52 O ATOM 846 CB THR B 25 -9.553 -5.751 -16.397 1.00 62.54 C ATOM 847 OG1 THR B 25 -9.867 -5.669 -17.785 1.00 50.40 O ATOM 848 CG2 THR B 25 -10.188 -4.496 -15.796 1.00 32.34 C ATOM 0 H THR B 25 -7.725 -7.738 -15.919 1.00 10.32 H new ATOM 0 HA THR B 25 -7.684 -4.996 -17.108 1.00 21.13 H new ATOM 0 HB THR B 25 -9.906 -6.629 -15.857 1.00 62.54 H new ATOM 0 HG1 THR B 25 -10.840 -5.690 -17.902 1.00 50.40 H new ATOM 0 HG21 THR B 25 -11.274 -4.577 -15.848 1.00 32.34 H new ATOM 0 HG22 THR B 25 -9.881 -4.396 -14.755 1.00 32.34 H new ATOM 0 HG23 THR B 25 -9.862 -3.619 -16.356 1.00 32.34 H new ATOM 856 N LEU B 26 -7.284 -3.900 -14.950 1.00 73.23 N ATOM 857 CA LEU B 26 -6.758 -3.284 -13.744 1.00 23.24 C ATOM 858 C LEU B 26 -7.921 -2.806 -12.872 1.00 2.14 C ATOM 859 O LEU B 26 -8.340 -1.653 -12.969 1.00 34.43 O ATOM 860 CB LEU B 26 -5.759 -2.181 -14.097 1.00 24.23 C ATOM 861 CG LEU B 26 -4.505 -2.628 -14.851 1.00 10.25 C ATOM 862 CD1 LEU B 26 -3.495 -1.483 -14.963 1.00 72.31 C ATOM 863 CD2 LEU B 26 -3.891 -3.872 -14.205 1.00 23.24 C ATOM 0 H LEU B 26 -7.493 -3.247 -15.705 1.00 73.23 H new ATOM 0 HA LEU B 26 -6.198 -4.012 -13.157 1.00 23.24 H new ATOM 0 HB2 LEU B 26 -6.273 -1.432 -14.699 1.00 24.23 H new ATOM 0 HB3 LEU B 26 -5.449 -1.690 -13.174 1.00 24.23 H new ATOM 0 HG LEU B 26 -4.796 -2.902 -15.865 1.00 10.25 H new ATOM 0 HD11 LEU B 26 -2.613 -1.827 -15.503 1.00 72.31 H new ATOM 0 HD12 LEU B 26 -3.948 -0.650 -15.501 1.00 72.31 H new ATOM 0 HD13 LEU B 26 -3.204 -1.155 -13.965 1.00 72.31 H new ATOM 0 HD21 LEU B 26 -3.001 -4.169 -14.760 1.00 23.24 H new ATOM 0 HD22 LEU B 26 -3.618 -3.649 -13.174 1.00 23.24 H new ATOM 0 HD23 LEU B 26 -4.616 -4.686 -14.220 1.00 23.24 H new ATOM 875 N VAL B 27 -8.408 -3.714 -12.040 1.00 23.03 N ATOM 876 CA VAL B 27 -9.514 -3.399 -11.151 1.00 65.25 C ATOM 877 C VAL B 27 -8.984 -2.633 -9.938 1.00 31.43 C ATOM 878 O VAL B 27 -7.799 -2.711 -9.618 1.00 70.24 O ATOM 879 CB VAL B 27 -10.261 -4.679 -10.772 1.00 1.23 C ATOM 880 CG1 VAL B 27 -10.845 -4.574 -9.362 1.00 22.34 C ATOM 881 CG2 VAL B 27 -11.352 -5.000 -11.794 1.00 75.34 C ATOM 0 H VAL B 27 -8.057 -4.669 -11.962 1.00 23.03 H new ATOM 0 HA VAL B 27 -10.236 -2.754 -11.652 1.00 65.25 H new ATOM 0 HB VAL B 27 -9.544 -5.500 -10.779 1.00 1.23 H new ATOM 0 HG11 VAL B 27 -11.371 -5.497 -9.116 1.00 22.34 H new ATOM 0 HG12 VAL B 27 -10.039 -4.414 -8.645 1.00 22.34 H new ATOM 0 HG13 VAL B 27 -11.541 -3.737 -9.318 1.00 22.34 H new ATOM 0 HG21 VAL B 27 -11.868 -5.915 -11.501 1.00 75.34 H new ATOM 0 HG22 VAL B 27 -12.066 -4.178 -11.834 1.00 75.34 H new ATOM 0 HG23 VAL B 27 -10.901 -5.137 -12.777 1.00 75.34 H new ATOM 891 N CYS B 28 -9.889 -1.911 -9.293 1.00 1.52 N ATOM 892 CA CYS B 28 -9.529 -1.132 -8.121 1.00 4.25 C ATOM 893 C CYS B 28 -10.815 -0.631 -7.462 1.00 1.25 C ATOM 894 O CYS B 28 -11.735 -0.187 -8.147 1.00 11.32 O ATOM 895 CB CYS B 28 -8.583 0.019 -8.475 1.00 75.30 C ATOM 896 SG CYS B 28 -9.368 1.408 -9.372 1.00 34.32 S ATOM 0 H CYS B 28 -10.871 -1.849 -9.560 1.00 1.52 H new ATOM 0 HA CYS B 28 -8.983 -1.761 -7.418 1.00 4.25 H new ATOM 0 HB2 CYS B 28 -8.140 0.402 -7.556 1.00 75.30 H new ATOM 0 HB3 CYS B 28 -7.767 -0.373 -9.083 1.00 75.30 H new ATOM 901 N CYS B 29 -10.839 -0.719 -6.140 1.00 63.41 N ATOM 902 CA CYS B 29 -11.997 -0.281 -5.381 1.00 32.50 C ATOM 903 C CYS B 29 -13.252 -0.850 -6.048 1.00 31.32 C ATOM 904 O CYS B 29 -14.075 -0.101 -6.572 1.00 1.04 O ATOM 905 CB CYS B 29 -12.054 1.243 -5.266 1.00 10.01 C ATOM 906 SG CYS B 29 -12.401 2.120 -6.834 1.00 75.54 S ATOM 0 H CYS B 29 -10.074 -1.088 -5.575 1.00 63.41 H new ATOM 0 HA CYS B 29 -11.928 -0.655 -4.359 1.00 32.50 H new ATOM 0 HB2 CYS B 29 -12.822 1.510 -4.540 1.00 10.01 H new ATOM 0 HB3 CYS B 29 -11.103 1.599 -4.870 1.00 10.01 H new ATOM 911 N GLY B 30 -13.358 -2.170 -6.006 1.00 72.21 N ATOM 912 CA GLY B 30 -14.498 -2.848 -6.600 1.00 33.33 C ATOM 913 C GLY B 30 -14.921 -2.171 -7.905 1.00 1.33 C ATOM 914 O GLY B 30 -16.102 -2.154 -8.245 1.00 53.25 O ATOM 0 H GLY B 30 -12.674 -2.788 -5.570 1.00 72.21 H new ATOM 0 HA2 GLY B 30 -14.245 -3.891 -6.793 1.00 33.33 H new ATOM 0 HA3 GLY B 30 -15.332 -2.846 -5.899 1.00 33.33 H new ATOM 918 N GLU B 31 -13.932 -1.628 -8.600 1.00 2.44 N ATOM 919 CA GLU B 31 -14.187 -0.950 -9.859 1.00 41.31 C ATOM 920 C GLU B 31 -13.091 -1.283 -10.873 1.00 64.34 C ATOM 921 O GLU B 31 -12.372 -2.269 -10.714 1.00 50.11 O ATOM 922 CB GLU B 31 -14.303 0.562 -9.655 1.00 23.12 C ATOM 923 CG GLU B 31 -15.692 1.064 -10.051 1.00 52.31 C ATOM 924 CD GLU B 31 -15.657 1.757 -11.415 1.00 12.12 C ATOM 925 OE1 GLU B 31 -14.979 1.278 -12.336 1.00 43.53 O ATOM 926 OE2 GLU B 31 -16.369 2.830 -11.501 1.00 25.20 O ATOM 0 H GLU B 31 -12.953 -1.644 -8.315 1.00 2.44 H new ATOM 0 HA GLU B 31 -15.140 -1.304 -10.253 1.00 41.31 H new ATOM 0 HB2 GLU B 31 -14.108 0.808 -8.611 1.00 23.12 H new ATOM 0 HB3 GLU B 31 -13.545 1.072 -10.250 1.00 23.12 H new ATOM 0 HG2 GLU B 31 -16.390 0.227 -10.082 1.00 52.31 H new ATOM 0 HG3 GLU B 31 -16.061 1.758 -9.296 1.00 52.31 H new ATOM 933 N ASP B 32 -12.997 -0.444 -11.894 1.00 52.12 N ATOM 934 CA ASP B 32 -12.001 -0.638 -12.933 1.00 43.34 C ATOM 935 C ASP B 32 -11.269 0.682 -13.183 1.00 44.44 C ATOM 936 O ASP B 32 -11.829 1.605 -13.774 1.00 3.25 O ATOM 937 CB ASP B 32 -12.652 -1.073 -14.247 1.00 14.13 C ATOM 938 CG ASP B 32 -11.848 -2.087 -15.063 1.00 55.22 C ATOM 939 OD1 ASP B 32 -10.571 -1.905 -15.052 1.00 12.40 O ATOM 940 OD2 ASP B 32 -12.413 -3.003 -15.679 1.00 12.15 O ATOM 0 H ASP B 32 -13.595 0.372 -12.024 1.00 52.12 H new ATOM 0 HA ASP B 32 -11.312 -1.413 -12.599 1.00 43.34 H new ATOM 0 HB2 ASP B 32 -13.630 -1.501 -14.026 1.00 14.13 H new ATOM 0 HB3 ASP B 32 -12.822 -0.189 -14.861 1.00 14.13 H new ATOM 945 N MET B 33 -10.027 0.729 -12.723 1.00 41.33 N ATOM 946 CA MET B 33 -9.211 1.921 -12.891 1.00 13.42 C ATOM 947 C MET B 33 -9.420 2.538 -14.275 1.00 30.22 C ATOM 948 O MET B 33 -9.856 1.858 -15.203 1.00 11.24 O ATOM 949 CB MET B 33 -7.736 1.560 -12.709 1.00 64.12 C ATOM 950 CG MET B 33 -7.065 2.489 -11.695 1.00 24.53 C ATOM 951 SD MET B 33 -5.517 1.785 -11.153 1.00 65.21 S ATOM 952 CE MET B 33 -4.879 1.201 -12.715 1.00 41.10 C ATOM 0 H MET B 33 -9.566 -0.038 -12.234 1.00 41.33 H new ATOM 0 HA MET B 33 -9.510 2.652 -12.140 1.00 13.42 H new ATOM 0 HB2 MET B 33 -7.650 0.527 -12.373 1.00 64.12 H new ATOM 0 HB3 MET B 33 -7.220 1.628 -13.667 1.00 64.12 H new ATOM 0 HG2 MET B 33 -6.892 3.467 -12.144 1.00 24.53 H new ATOM 0 HG3 MET B 33 -7.723 2.643 -10.840 1.00 24.53 H new ATOM 0 HE1 MET B 33 -4.342 0.265 -12.562 1.00 41.10 H new ATOM 0 HE2 MET B 33 -5.705 1.036 -13.407 1.00 41.10 H new ATOM 0 HE3 MET B 33 -4.200 1.945 -13.132 1.00 41.10 H new ATOM 962 N VAL B 34 -9.097 3.819 -14.371 1.00 44.22 N ATOM 963 CA VAL B 34 -9.243 4.536 -15.628 1.00 30.55 C ATOM 964 C VAL B 34 -7.860 4.778 -16.235 1.00 13.32 C ATOM 965 O VAL B 34 -6.858 4.790 -15.521 1.00 53.32 O ATOM 966 CB VAL B 34 -10.033 5.827 -15.404 1.00 41.33 C ATOM 967 CG1 VAL B 34 -10.670 6.312 -16.708 1.00 41.32 C ATOM 968 CG2 VAL B 34 -11.089 5.642 -14.313 1.00 52.32 C ATOM 0 H VAL B 34 -8.735 4.380 -13.600 1.00 44.22 H new ATOM 0 HA VAL B 34 -9.812 3.943 -16.344 1.00 30.55 H new ATOM 0 HB VAL B 34 -9.335 6.593 -15.067 1.00 41.33 H new ATOM 0 HG11 VAL B 34 -11.226 7.231 -16.522 1.00 41.32 H new ATOM 0 HG12 VAL B 34 -9.890 6.503 -17.445 1.00 41.32 H new ATOM 0 HG13 VAL B 34 -11.349 5.548 -17.088 1.00 41.32 H new ATOM 0 HG21 VAL B 34 -11.636 6.575 -14.174 1.00 52.32 H new ATOM 0 HG22 VAL B 34 -11.783 4.855 -14.608 1.00 52.32 H new ATOM 0 HG23 VAL B 34 -10.602 5.364 -13.378 1.00 52.32 H new ATOM 978 N LYS B 35 -7.849 4.965 -17.547 1.00 35.10 N ATOM 979 CA LYS B 35 -6.606 5.206 -18.259 1.00 22.23 C ATOM 980 C LYS B 35 -6.572 6.659 -18.738 1.00 24.23 C ATOM 981 O LYS B 35 -7.591 7.202 -19.157 1.00 53.41 O ATOM 982 CB LYS B 35 -6.425 4.184 -19.382 1.00 35.53 C ATOM 983 CG LYS B 35 -7.028 4.695 -20.692 1.00 14.22 C ATOM 984 CD LYS B 35 -5.960 5.352 -21.568 1.00 13.33 C ATOM 985 CE LYS B 35 -5.092 4.298 -22.257 1.00 45.30 C ATOM 986 NZ LYS B 35 -4.106 4.943 -23.153 1.00 43.51 N ATOM 0 H LYS B 35 -8.682 4.954 -18.135 1.00 35.10 H new ATOM 0 HA LYS B 35 -5.753 5.069 -17.594 1.00 22.23 H new ATOM 0 HB2 LYS B 35 -5.364 3.977 -19.522 1.00 35.53 H new ATOM 0 HB3 LYS B 35 -6.899 3.243 -19.102 1.00 35.53 H new ATOM 0 HG2 LYS B 35 -7.488 3.867 -21.232 1.00 14.22 H new ATOM 0 HG3 LYS B 35 -7.819 5.413 -20.477 1.00 14.22 H new ATOM 0 HD2 LYS B 35 -6.437 5.982 -22.318 1.00 13.33 H new ATOM 0 HD3 LYS B 35 -5.333 6.002 -20.958 1.00 13.33 H new ATOM 0 HE2 LYS B 35 -4.574 3.699 -21.508 1.00 45.30 H new ATOM 0 HE3 LYS B 35 -5.722 3.617 -22.830 1.00 45.30 H new ATOM 0 HZ1 LYS B 35 -4.245 4.601 -24.125 1.00 43.51 H new ATOM 0 HZ2 LYS B 35 -4.236 5.975 -23.126 1.00 43.51 H new ATOM 0 HZ3 LYS B 35 -3.144 4.707 -22.837 1.00 43.51 H new ATOM 999 N GLN B 36 -5.386 7.245 -18.659 1.00 11.43 N ATOM 1000 CA GLN B 36 -5.205 8.624 -19.079 1.00 51.53 C ATOM 1001 C GLN B 36 -5.016 8.697 -20.596 1.00 34.25 C ATOM 1002 O GLN B 36 -4.184 9.459 -21.086 1.00 70.52 O ATOM 1003 CB GLN B 36 -4.026 9.269 -18.349 1.00 3.42 C ATOM 1004 CG GLN B 36 -4.004 8.861 -16.875 1.00 0.23 C ATOM 1005 CD GLN B 36 -5.012 9.677 -16.064 1.00 32.00 C ATOM 1006 OE1 GLN B 36 -4.772 10.814 -15.691 1.00 24.35 O ATOM 1007 NE2 GLN B 36 -6.150 9.037 -15.814 1.00 31.32 N ATOM 0 H GLN B 36 -4.542 6.790 -18.311 1.00 11.43 H new ATOM 0 HA GLN B 36 -6.103 9.184 -18.817 1.00 51.53 H new ATOM 0 HB2 GLN B 36 -3.092 8.972 -18.826 1.00 3.42 H new ATOM 0 HB3 GLN B 36 -4.094 10.354 -18.429 1.00 3.42 H new ATOM 0 HG2 GLN B 36 -4.234 7.799 -16.785 1.00 0.23 H new ATOM 0 HG3 GLN B 36 -3.003 9.006 -16.469 1.00 0.23 H new ATOM 0 HE21 GLN B 36 -6.286 8.086 -16.156 1.00 31.32 H new ATOM 0 HE22 GLN B 36 -6.887 9.497 -15.280 1.00 31.32 H new TER 1016 GLN B 36 HETATM 1017 ZN ZN A 37 -2.927 -10.073 -14.788 1.00 73.43 ZN HETATM 1018 ZN ZN B 37 -10.577 2.815 -7.819 1.00 71.24 ZN