USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=8 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 Single : A 1 ALA N :NH3+ -144:sc= -2.48! (180deg=-5.43!) USER MOD Single : A 2 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 7 TYR OH : rot 180:sc= -0.732 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -2.14! C(o=-2.1!,f=-2.3!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -130:sc= -4.98! (180deg=-13.3!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -2.33! K(o=-2.3!,f=-1) USER MOD Single : B 1 ALA N :NH3+ -156:sc= -3.56! (180deg=-4.92!) USER MOD Single : B 2 ASN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : B 7 TYR OH : rot 180:sc= 0 USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 14 GLN : amide:sc= -7.35! C(o=-7.3!,f=-9.1!) 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 157:sc= -9.48! (180deg=-11!) USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 36 GLN : amide:sc= -2.34! K(o=-2.3!,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -0.974 1.824 -3.425 1.00 21.31 N ATOM 2 CA ALA A 1 -0.195 0.785 -2.773 1.00 40.34 C ATOM 3 C ALA A 1 1.254 1.255 -2.628 1.00 55.32 C ATOM 4 O ALA A 1 2.093 0.965 -3.480 1.00 54.31 O ATOM 5 CB ALA A 1 -0.309 -0.515 -3.571 1.00 65.51 C ATOM 0 H1 ALA A 1 -1.932 1.844 -3.022 1.00 21.31 H new ATOM 0 H2 ALA A 1 -0.516 2.746 -3.276 1.00 21.31 H new ATOM 0 H3 ALA A 1 -1.031 1.627 -4.444 1.00 21.31 H new ATOM 0 HA ALA A 1 -0.579 0.588 -1.772 1.00 40.34 H new ATOM 0 HB1 ALA A 1 0.275 -1.294 -3.082 1.00 65.51 H new ATOM 0 HB2 ALA A 1 -1.354 -0.821 -3.620 1.00 65.51 H new ATOM 0 HB3 ALA A 1 0.070 -0.357 -4.581 1.00 65.51 H new ATOM 11 N ASN A 2 1.504 1.973 -1.544 1.00 11.35 N ATOM 12 CA ASN A 2 2.837 2.487 -1.276 1.00 34.52 C ATOM 13 C ASN A 2 3.339 3.253 -2.501 1.00 20.22 C ATOM 14 O ASN A 2 3.797 2.650 -3.469 1.00 42.32 O ATOM 15 CB ASN A 2 3.820 1.348 -0.995 1.00 35.31 C ATOM 16 CG ASN A 2 3.429 0.586 0.273 1.00 2.33 C ATOM 17 OD1 ASN A 2 2.900 1.141 1.223 1.00 74.31 O ATOM 18 ND2 ASN A 2 3.719 -0.711 0.236 1.00 13.13 N ATOM 0 H ASN A 2 0.806 2.212 -0.840 1.00 11.35 H new ATOM 0 HA ASN A 2 2.779 3.137 -0.403 1.00 34.52 H new ATOM 0 HB2 ASN A 2 3.841 0.663 -1.843 1.00 35.31 H new ATOM 0 HB3 ASN A 2 4.827 1.751 -0.886 1.00 35.31 H new ATOM 0 HD21 ASN A 2 3.498 -1.306 1.035 1.00 13.13 H new ATOM 0 HD22 ASN A 2 4.162 -1.111 -0.591 1.00 13.13 H new ATOM 25 N GLU A 3 3.234 4.571 -2.418 1.00 13.20 N ATOM 26 CA GLU A 3 3.671 5.427 -3.508 1.00 24.04 C ATOM 27 C GLU A 3 5.157 5.199 -3.798 1.00 70.53 C ATOM 28 O GLU A 3 5.985 5.242 -2.889 1.00 72.34 O ATOM 29 CB GLU A 3 3.394 6.899 -3.196 1.00 31.45 C ATOM 30 CG GLU A 3 3.943 7.806 -4.298 1.00 23.11 C ATOM 31 CD GLU A 3 3.793 9.281 -3.919 1.00 32.43 C ATOM 32 OE1 GLU A 3 2.664 9.778 -3.795 1.00 31.43 O ATOM 33 OE2 GLU A 3 4.903 9.917 -3.752 1.00 21.21 O ATOM 0 H GLU A 3 2.853 5.067 -1.613 1.00 13.20 H new ATOM 0 HA GLU A 3 3.101 5.166 -4.400 1.00 24.04 H new ATOM 0 HB2 GLU A 3 2.320 7.056 -3.092 1.00 31.45 H new ATOM 0 HB3 GLU A 3 3.849 7.164 -2.242 1.00 31.45 H new ATOM 0 HG2 GLU A 3 4.994 7.577 -4.473 1.00 23.11 H new ATOM 0 HG3 GLU A 3 3.415 7.611 -5.231 1.00 23.11 H new ATOM 40 N GLY A 4 5.449 4.960 -5.068 1.00 51.43 N ATOM 41 CA GLY A 4 6.819 4.726 -5.490 1.00 75.04 C ATOM 42 C GLY A 4 7.129 3.228 -5.540 1.00 72.10 C ATOM 43 O GLY A 4 8.241 2.832 -5.883 1.00 33.01 O ATOM 0 H GLY A 4 4.760 4.923 -5.819 1.00 51.43 H new ATOM 0 HA2 GLY A 4 6.981 5.168 -6.473 1.00 75.04 H new ATOM 0 HA3 GLY A 4 7.505 5.220 -4.802 1.00 75.04 H new ATOM 47 N ASP A 5 6.124 2.437 -5.192 1.00 61.14 N ATOM 48 CA ASP A 5 6.274 0.992 -5.193 1.00 2.42 C ATOM 49 C ASP A 5 5.678 0.422 -6.481 1.00 50.14 C ATOM 50 O ASP A 5 4.684 0.937 -6.990 1.00 35.10 O ATOM 51 CB ASP A 5 5.537 0.360 -4.011 1.00 13.34 C ATOM 52 CG ASP A 5 6.100 0.716 -2.633 1.00 55.22 C ATOM 53 OD1 ASP A 5 6.428 1.955 -2.482 1.00 64.41 O ATOM 54 OD2 ASP A 5 6.218 -0.145 -1.749 1.00 11.11 O ATOM 0 H ASP A 5 5.203 2.770 -4.907 1.00 61.14 H new ATOM 0 HA ASP A 5 7.337 0.764 -5.118 1.00 2.42 H new ATOM 0 HB2 ASP A 5 4.491 0.665 -4.049 1.00 13.34 H new ATOM 0 HB3 ASP A 5 5.558 -0.724 -4.127 1.00 13.34 H new ATOM 59 N VAL A 6 6.310 -0.633 -6.972 1.00 22.31 N ATOM 60 CA VAL A 6 5.854 -1.279 -8.191 1.00 43.33 C ATOM 61 C VAL A 6 5.130 -2.579 -7.835 1.00 20.12 C ATOM 62 O VAL A 6 5.499 -3.256 -6.877 1.00 72.32 O ATOM 63 CB VAL A 6 7.033 -1.493 -9.143 1.00 62.42 C ATOM 64 CG1 VAL A 6 6.659 -2.454 -10.273 1.00 74.02 C ATOM 65 CG2 VAL A 6 7.537 -0.161 -9.701 1.00 10.52 C ATOM 0 H VAL A 6 7.135 -1.057 -6.548 1.00 22.31 H new ATOM 0 HA VAL A 6 5.141 -0.643 -8.716 1.00 43.33 H new ATOM 0 HB VAL A 6 7.844 -1.946 -8.573 1.00 62.42 H new ATOM 0 HG11 VAL A 6 7.515 -2.588 -10.935 1.00 74.02 H new ATOM 0 HG12 VAL A 6 6.372 -3.417 -9.851 1.00 74.02 H new ATOM 0 HG13 VAL A 6 5.824 -2.042 -10.839 1.00 74.02 H new ATOM 0 HG21 VAL A 6 8.375 -0.342 -10.374 1.00 10.52 H new ATOM 0 HG22 VAL A 6 6.733 0.332 -10.247 1.00 10.52 H new ATOM 0 HG23 VAL A 6 7.863 0.477 -8.880 1.00 10.52 H new ATOM 75 N TYR A 7 4.113 -2.888 -8.625 1.00 71.23 N ATOM 76 CA TYR A 7 3.334 -4.094 -8.406 1.00 20.42 C ATOM 77 C TYR A 7 3.215 -4.913 -9.693 1.00 64.11 C ATOM 78 O TYR A 7 2.950 -4.363 -10.761 1.00 4.05 O ATOM 79 CB TYR A 7 1.940 -3.625 -7.983 1.00 64.41 C ATOM 80 CG TYR A 7 1.767 -3.474 -6.471 1.00 32.10 C ATOM 81 CD1 TYR A 7 2.539 -2.566 -5.775 1.00 74.30 C ATOM 82 CD2 TYR A 7 0.838 -4.246 -5.802 1.00 40.10 C ATOM 83 CE1 TYR A 7 2.375 -2.424 -4.351 1.00 54.33 C ATOM 84 CE2 TYR A 7 0.674 -4.104 -4.378 1.00 62.23 C ATOM 85 CZ TYR A 7 1.451 -3.200 -3.724 1.00 11.43 C ATOM 86 OH TYR A 7 1.297 -3.065 -2.378 1.00 75.14 O ATOM 0 H TYR A 7 3.810 -2.323 -9.419 1.00 71.23 H new ATOM 0 HA TYR A 7 3.809 -4.725 -7.655 1.00 20.42 H new ATOM 0 HB2 TYR A 7 1.730 -2.668 -8.460 1.00 64.41 H new ATOM 0 HB3 TYR A 7 1.201 -4.335 -8.354 1.00 64.41 H new ATOM 0 HD1 TYR A 7 3.266 -1.962 -6.298 1.00 74.30 H new ATOM 0 HD2 TYR A 7 0.234 -4.957 -6.347 1.00 40.10 H new ATOM 0 HE1 TYR A 7 2.972 -1.717 -3.794 1.00 54.33 H new ATOM 0 HE2 TYR A 7 -0.049 -4.701 -3.843 1.00 62.23 H new ATOM 0 HH TYR A 7 0.602 -3.681 -2.065 1.00 75.14 H new ATOM 96 N LYS A 8 3.416 -6.215 -9.550 1.00 24.43 N ATOM 97 CA LYS A 8 3.335 -7.115 -10.688 1.00 43.21 C ATOM 98 C LYS A 8 2.080 -7.979 -10.560 1.00 53.35 C ATOM 99 O LYS A 8 1.560 -8.168 -9.461 1.00 61.23 O ATOM 100 CB LYS A 8 4.627 -7.924 -10.824 1.00 41.51 C ATOM 101 CG LYS A 8 4.813 -8.419 -12.260 1.00 43.51 C ATOM 102 CD LYS A 8 6.293 -8.662 -12.568 1.00 34.24 C ATOM 103 CE LYS A 8 6.507 -10.054 -13.163 1.00 65.54 C ATOM 104 NZ LYS A 8 7.928 -10.453 -13.050 1.00 65.53 N ATOM 0 H LYS A 8 3.635 -6.668 -8.663 1.00 24.43 H new ATOM 0 HA LYS A 8 3.241 -6.550 -11.615 1.00 43.21 H new ATOM 0 HB2 LYS A 8 5.478 -7.308 -10.534 1.00 41.51 H new ATOM 0 HB3 LYS A 8 4.602 -8.774 -10.142 1.00 41.51 H new ATOM 0 HG2 LYS A 8 4.251 -9.341 -12.406 1.00 43.51 H new ATOM 0 HG3 LYS A 8 4.408 -7.685 -12.957 1.00 43.51 H new ATOM 0 HD2 LYS A 8 6.652 -7.905 -13.266 1.00 34.24 H new ATOM 0 HD3 LYS A 8 6.880 -8.558 -11.655 1.00 34.24 H new ATOM 0 HE2 LYS A 8 5.878 -10.778 -12.645 1.00 65.54 H new ATOM 0 HE3 LYS A 8 6.204 -10.059 -14.210 1.00 65.54 H new ATOM 0 HZ1 LYS A 8 8.056 -11.401 -13.459 1.00 65.53 H new ATOM 0 HZ2 LYS A 8 8.522 -9.771 -13.564 1.00 65.53 H new ATOM 0 HZ3 LYS A 8 8.206 -10.468 -12.048 1.00 65.53 H new ATOM 117 N CYS A 9 1.627 -8.480 -11.700 1.00 73.24 N ATOM 118 CA CYS A 9 0.441 -9.320 -11.730 1.00 61.12 C ATOM 119 C CYS A 9 0.842 -10.731 -11.297 1.00 21.34 C ATOM 120 O CYS A 9 0.012 -11.490 -10.796 1.00 63.34 O ATOM 121 CB CYS A 9 -0.222 -9.313 -13.108 1.00 34.01 C ATOM 122 SG CYS A 9 -1.708 -10.375 -13.250 1.00 51.13 S ATOM 0 H CYS A 9 2.060 -8.320 -12.610 1.00 73.24 H new ATOM 0 HA CYS A 9 -0.305 -8.927 -11.039 1.00 61.12 H new ATOM 0 HB2 CYS A 9 -0.499 -8.289 -13.357 1.00 34.01 H new ATOM 0 HB3 CYS A 9 0.509 -9.634 -13.849 1.00 34.01 H new ATOM 127 N GLU A 10 2.113 -11.042 -11.504 1.00 73.53 N ATOM 128 CA GLU A 10 2.634 -12.349 -11.142 1.00 34.25 C ATOM 129 C GLU A 10 1.942 -13.441 -11.960 1.00 60.31 C ATOM 130 O GLU A 10 2.102 -14.628 -11.678 1.00 64.34 O ATOM 131 CB GLU A 10 2.475 -12.605 -9.642 1.00 21.31 C ATOM 132 CG GLU A 10 3.527 -11.836 -8.840 1.00 22.31 C ATOM 133 CD GLU A 10 4.892 -12.524 -8.925 1.00 54.13 C ATOM 134 OE1 GLU A 10 5.507 -12.376 -10.049 1.00 24.30 O ATOM 135 OE2 GLU A 10 5.325 -13.163 -7.955 1.00 61.42 O ATOM 0 H GLU A 10 2.798 -10.410 -11.918 1.00 73.53 H new ATOM 0 HA GLU A 10 3.699 -12.371 -11.371 1.00 34.25 H new ATOM 0 HB2 GLU A 10 1.477 -12.305 -9.322 1.00 21.31 H new ATOM 0 HB3 GLU A 10 2.567 -13.672 -9.440 1.00 21.31 H new ATOM 0 HG2 GLU A 10 3.605 -10.817 -9.219 1.00 22.31 H new ATOM 0 HG3 GLU A 10 3.215 -11.766 -7.798 1.00 22.31 H new ATOM 142 N LEU A 11 1.187 -13.002 -12.957 1.00 2.12 N ATOM 143 CA LEU A 11 0.472 -13.927 -13.818 1.00 33.30 C ATOM 144 C LEU A 11 0.755 -13.580 -15.281 1.00 1.34 C ATOM 145 O LEU A 11 1.665 -14.142 -15.891 1.00 15.21 O ATOM 146 CB LEU A 11 -1.018 -13.943 -13.467 1.00 22.01 C ATOM 147 CG LEU A 11 -1.399 -14.701 -12.193 1.00 54.44 C ATOM 148 CD1 LEU A 11 -2.919 -14.818 -12.061 1.00 25.53 C ATOM 149 CD2 LEU A 11 -0.711 -16.066 -12.141 1.00 52.41 C ATOM 0 H LEU A 11 1.055 -12.017 -13.187 1.00 2.12 H new ATOM 0 HA LEU A 11 0.825 -14.946 -13.658 1.00 33.30 H new ATOM 0 HB2 LEU A 11 -1.359 -12.912 -13.369 1.00 22.01 H new ATOM 0 HB3 LEU A 11 -1.563 -14.381 -14.303 1.00 22.01 H new ATOM 0 HG LEU A 11 -1.044 -14.130 -11.335 1.00 54.44 H new ATOM 0 HD11 LEU A 11 -3.164 -15.361 -11.148 1.00 25.53 H new ATOM 0 HD12 LEU A 11 -3.358 -13.821 -12.020 1.00 25.53 H new ATOM 0 HD13 LEU A 11 -3.319 -15.356 -12.921 1.00 25.53 H new ATOM 0 HD21 LEU A 11 -0.999 -16.584 -11.226 1.00 52.41 H new ATOM 0 HD22 LEU A 11 -1.014 -16.659 -13.004 1.00 52.41 H new ATOM 0 HD23 LEU A 11 0.370 -15.929 -12.156 1.00 52.41 H new ATOM 161 N CYS A 12 -0.039 -12.657 -15.801 1.00 2.53 N ATOM 162 CA CYS A 12 0.116 -12.227 -17.181 1.00 74.11 C ATOM 163 C CYS A 12 1.524 -11.654 -17.351 1.00 11.50 C ATOM 164 O CYS A 12 2.109 -11.745 -18.429 1.00 44.10 O ATOM 165 CB CYS A 12 -0.964 -11.220 -17.584 1.00 64.23 C ATOM 166 SG CYS A 12 -0.912 -9.634 -16.673 1.00 15.12 S ATOM 0 H CYS A 12 -0.792 -12.194 -15.292 1.00 2.53 H new ATOM 0 HA CYS A 12 -0.009 -13.081 -17.847 1.00 74.11 H new ATOM 0 HB2 CYS A 12 -0.869 -11.014 -18.650 1.00 64.23 H new ATOM 0 HB3 CYS A 12 -1.942 -11.677 -17.434 1.00 64.23 H new ATOM 171 N GLY A 13 2.027 -11.076 -16.270 1.00 12.24 N ATOM 172 CA GLY A 13 3.356 -10.487 -16.286 1.00 15.44 C ATOM 173 C GLY A 13 3.282 -8.973 -16.496 1.00 31.42 C ATOM 174 O GLY A 13 4.128 -8.395 -17.176 1.00 71.24 O ATOM 0 H GLY A 13 1.539 -11.003 -15.378 1.00 12.24 H new ATOM 0 HA2 GLY A 13 3.865 -10.703 -15.347 1.00 15.44 H new ATOM 0 HA3 GLY A 13 3.949 -10.940 -17.081 1.00 15.44 H new ATOM 178 N GLN A 14 2.263 -8.374 -15.897 1.00 62.13 N ATOM 179 CA GLN A 14 2.068 -6.938 -16.010 1.00 24.32 C ATOM 180 C GLN A 14 2.750 -6.217 -14.845 1.00 31.01 C ATOM 181 O GLN A 14 2.628 -6.637 -13.695 1.00 65.12 O ATOM 182 CB GLN A 14 0.580 -6.591 -16.076 1.00 11.14 C ATOM 183 CG GLN A 14 0.365 -5.079 -15.964 1.00 74.13 C ATOM 184 CD GLN A 14 -0.670 -4.597 -16.983 1.00 71.05 C ATOM 185 OE1 GLN A 14 -0.363 -3.902 -17.937 1.00 22.14 O ATOM 186 NE2 GLN A 14 -1.911 -5.003 -16.727 1.00 2.10 N ATOM 0 H GLN A 14 1.564 -8.856 -15.332 1.00 62.13 H new ATOM 0 HA GLN A 14 2.527 -6.600 -16.939 1.00 24.32 H new ATOM 0 HB2 GLN A 14 0.159 -6.953 -17.014 1.00 11.14 H new ATOM 0 HB3 GLN A 14 0.048 -7.098 -15.271 1.00 11.14 H new ATOM 0 HG2 GLN A 14 0.033 -4.829 -14.956 1.00 74.13 H new ATOM 0 HG3 GLN A 14 1.310 -4.560 -16.126 1.00 74.13 H new ATOM 0 HE21 GLN A 14 -2.099 -5.584 -15.910 1.00 2.10 H new ATOM 0 HE22 GLN A 14 -2.674 -4.733 -17.348 1.00 2.10 H new ATOM 195 N VAL A 15 3.451 -5.145 -15.183 1.00 55.21 N ATOM 196 CA VAL A 15 4.151 -4.362 -14.179 1.00 70.02 C ATOM 197 C VAL A 15 3.613 -2.929 -14.189 1.00 62.35 C ATOM 198 O VAL A 15 3.497 -2.314 -15.248 1.00 1.23 O ATOM 199 CB VAL A 15 5.661 -4.435 -14.417 1.00 53.04 C ATOM 200 CG1 VAL A 15 6.428 -3.743 -13.289 1.00 50.33 C ATOM 201 CG2 VAL A 15 6.120 -5.885 -14.583 1.00 32.52 C ATOM 0 H VAL A 15 3.549 -4.800 -16.138 1.00 55.21 H new ATOM 0 HA VAL A 15 3.972 -4.770 -13.184 1.00 70.02 H new ATOM 0 HB VAL A 15 5.880 -3.906 -15.344 1.00 53.04 H new ATOM 0 HG11 VAL A 15 7.499 -3.809 -13.483 1.00 50.33 H new ATOM 0 HG12 VAL A 15 6.133 -2.695 -13.238 1.00 50.33 H new ATOM 0 HG13 VAL A 15 6.200 -4.231 -12.341 1.00 50.33 H new ATOM 0 HG21 VAL A 15 7.197 -5.909 -14.751 1.00 32.52 H new ATOM 0 HG22 VAL A 15 5.881 -6.448 -13.681 1.00 32.52 H new ATOM 0 HG23 VAL A 15 5.610 -6.333 -15.436 1.00 32.52 H new ATOM 211 N VAL A 16 3.299 -2.441 -12.999 1.00 11.12 N ATOM 212 CA VAL A 16 2.777 -1.093 -12.858 1.00 14.13 C ATOM 213 C VAL A 16 3.400 -0.435 -11.625 1.00 32.01 C ATOM 214 O VAL A 16 3.959 -1.118 -10.768 1.00 65.53 O ATOM 215 CB VAL A 16 1.248 -1.127 -12.809 1.00 11.34 C ATOM 216 CG1 VAL A 16 0.664 -1.531 -14.163 1.00 51.12 C ATOM 217 CG2 VAL A 16 0.756 -2.058 -11.699 1.00 72.15 C ATOM 0 H VAL A 16 3.396 -2.955 -12.123 1.00 11.12 H new ATOM 0 HA VAL A 16 3.048 -0.486 -13.722 1.00 14.13 H new ATOM 0 HB VAL A 16 0.898 -0.120 -12.582 1.00 11.34 H new ATOM 0 HG11 VAL A 16 -0.424 -1.547 -14.100 1.00 51.12 H new ATOM 0 HG12 VAL A 16 0.973 -0.812 -14.922 1.00 51.12 H new ATOM 0 HG13 VAL A 16 1.026 -2.523 -14.434 1.00 51.12 H new ATOM 0 HG21 VAL A 16 -0.334 -2.064 -11.686 1.00 72.15 H new ATOM 0 HG22 VAL A 16 1.122 -3.068 -11.882 1.00 72.15 H new ATOM 0 HG23 VAL A 16 1.129 -1.706 -10.737 1.00 72.15 H new ATOM 227 N LYS A 17 3.284 0.884 -11.574 1.00 31.30 N ATOM 228 CA LYS A 17 3.829 1.642 -10.461 1.00 31.44 C ATOM 229 C LYS A 17 2.689 2.345 -9.721 1.00 71.01 C ATOM 230 O LYS A 17 1.651 2.640 -10.311 1.00 3.12 O ATOM 231 CB LYS A 17 4.926 2.591 -10.945 1.00 2.22 C ATOM 232 CG LYS A 17 5.741 3.134 -9.768 1.00 53.13 C ATOM 233 CD LYS A 17 6.413 4.459 -10.132 1.00 12.03 C ATOM 234 CE LYS A 17 7.670 4.686 -9.290 1.00 70.44 C ATOM 235 NZ LYS A 17 8.885 4.530 -10.121 1.00 72.32 N ATOM 0 H LYS A 17 2.820 1.447 -12.287 1.00 31.30 H new ATOM 0 HA LYS A 17 4.310 0.975 -9.745 1.00 31.44 H new ATOM 0 HB2 LYS A 17 5.585 2.067 -11.637 1.00 2.22 H new ATOM 0 HB3 LYS A 17 4.479 3.419 -11.495 1.00 2.22 H new ATOM 0 HG2 LYS A 17 5.090 3.277 -8.905 1.00 53.13 H new ATOM 0 HG3 LYS A 17 6.498 2.405 -9.478 1.00 53.13 H new ATOM 0 HD2 LYS A 17 6.675 4.459 -11.190 1.00 12.03 H new ATOM 0 HD3 LYS A 17 5.714 5.280 -9.976 1.00 12.03 H new ATOM 0 HE2 LYS A 17 7.647 5.684 -8.853 1.00 70.44 H new ATOM 0 HE3 LYS A 17 7.694 3.976 -8.463 1.00 70.44 H new ATOM 0 HZ1 LYS A 17 9.729 4.687 -9.534 1.00 72.32 H new ATOM 0 HZ2 LYS A 17 8.913 3.569 -10.518 1.00 72.32 H new ATOM 0 HZ3 LYS A 17 8.867 5.224 -10.895 1.00 72.32 H new ATOM 248 N VAL A 18 2.922 2.593 -8.440 1.00 41.14 N ATOM 249 CA VAL A 18 1.927 3.256 -7.614 1.00 44.11 C ATOM 250 C VAL A 18 2.280 4.740 -7.491 1.00 71.11 C ATOM 251 O VAL A 18 2.956 5.144 -6.546 1.00 0.13 O ATOM 252 CB VAL A 18 1.819 2.553 -6.260 1.00 3.00 C ATOM 253 CG1 VAL A 18 0.910 3.334 -5.308 1.00 72.41 C ATOM 254 CG2 VAL A 18 1.331 1.113 -6.427 1.00 74.45 C ATOM 0 H VAL A 18 3.785 2.347 -7.954 1.00 41.14 H new ATOM 0 HA VAL A 18 0.942 3.193 -8.077 1.00 44.11 H new ATOM 0 HB VAL A 18 2.815 2.519 -5.819 1.00 3.00 H new ATOM 0 HG11 VAL A 18 0.850 2.813 -4.353 1.00 72.41 H new ATOM 0 HG12 VAL A 18 1.319 4.332 -5.152 1.00 72.41 H new ATOM 0 HG13 VAL A 18 -0.087 3.414 -5.741 1.00 72.41 H new ATOM 0 HG21 VAL A 18 1.263 0.636 -5.449 1.00 74.45 H new ATOM 0 HG22 VAL A 18 0.349 1.114 -6.899 1.00 74.45 H new ATOM 0 HG23 VAL A 18 2.033 0.561 -7.052 1.00 74.45 H new ATOM 264 N LEU A 19 1.807 5.510 -8.459 1.00 61.01 N ATOM 265 CA LEU A 19 2.064 6.940 -8.472 1.00 3.44 C ATOM 266 C LEU A 19 1.332 7.595 -7.298 1.00 5.51 C ATOM 267 O LEU A 19 1.888 8.457 -6.618 1.00 45.22 O ATOM 268 CB LEU A 19 1.703 7.538 -9.832 1.00 42.13 C ATOM 269 CG LEU A 19 2.843 8.229 -10.584 1.00 40.24 C ATOM 270 CD1 LEU A 19 3.505 7.272 -11.577 1.00 23.44 C ATOM 271 CD2 LEU A 19 2.354 9.510 -11.264 1.00 23.10 C ATOM 0 H LEU A 19 1.247 5.171 -9.241 1.00 61.01 H new ATOM 0 HA LEU A 19 3.127 7.137 -8.336 1.00 3.44 H new ATOM 0 HB2 LEU A 19 1.307 6.742 -10.463 1.00 42.13 H new ATOM 0 HB3 LEU A 19 0.899 8.260 -9.688 1.00 42.13 H new ATOM 0 HG LEU A 19 3.604 8.518 -9.859 1.00 40.24 H new ATOM 0 HD11 LEU A 19 4.311 7.788 -12.098 1.00 23.44 H new ATOM 0 HD12 LEU A 19 3.910 6.414 -11.041 1.00 23.44 H new ATOM 0 HD13 LEU A 19 2.766 6.931 -12.301 1.00 23.44 H new ATOM 0 HD21 LEU A 19 3.183 9.981 -11.791 1.00 23.10 H new ATOM 0 HD22 LEU A 19 1.564 9.266 -11.974 1.00 23.10 H new ATOM 0 HD23 LEU A 19 1.966 10.196 -10.511 1.00 23.10 H new ATOM 283 N GLU A 20 0.096 7.162 -7.097 1.00 24.35 N ATOM 284 CA GLU A 20 -0.717 7.696 -6.018 1.00 71.41 C ATOM 285 C GLU A 20 -1.541 6.580 -5.372 1.00 24.34 C ATOM 286 O GLU A 20 -2.437 6.021 -6.002 1.00 54.40 O ATOM 287 CB GLU A 20 -1.621 8.824 -6.519 1.00 51.14 C ATOM 288 CG GLU A 20 -0.809 10.087 -6.813 1.00 42.41 C ATOM 289 CD GLU A 20 -1.420 10.873 -7.976 1.00 32.25 C ATOM 290 OE1 GLU A 20 -2.489 11.482 -7.817 1.00 51.32 O ATOM 291 OE2 GLU A 20 -0.744 10.838 -9.073 1.00 1.14 O ATOM 0 H GLU A 20 -0.362 6.448 -7.663 1.00 24.35 H new ATOM 0 HA GLU A 20 -0.053 8.115 -5.262 1.00 71.41 H new ATOM 0 HB2 GLU A 20 -2.142 8.504 -7.421 1.00 51.14 H new ATOM 0 HB3 GLU A 20 -2.383 9.043 -5.772 1.00 51.14 H new ATOM 0 HG2 GLU A 20 -0.773 10.716 -5.923 1.00 42.41 H new ATOM 0 HG3 GLU A 20 0.219 9.815 -7.053 1.00 42.41 H new ATOM 298 N GLU A 21 -1.206 6.287 -4.124 1.00 42.40 N ATOM 299 CA GLU A 21 -1.903 5.248 -3.386 1.00 32.31 C ATOM 300 C GLU A 21 -3.329 5.695 -3.058 1.00 23.03 C ATOM 301 O GLU A 21 -3.581 6.884 -2.864 1.00 30.31 O ATOM 302 CB GLU A 21 -1.139 4.873 -2.114 1.00 75.51 C ATOM 303 CG GLU A 21 -1.121 6.037 -1.122 1.00 51.12 C ATOM 304 CD GLU A 21 -0.641 5.576 0.256 1.00 63.10 C ATOM 305 OE1 GLU A 21 0.573 5.503 0.497 1.00 31.43 O ATOM 306 OE2 GLU A 21 -1.581 5.289 1.092 1.00 43.30 O ATOM 0 H GLU A 21 -0.461 6.751 -3.605 1.00 42.40 H new ATOM 0 HA GLU A 21 -1.958 4.358 -4.013 1.00 32.31 H new ATOM 0 HB2 GLU A 21 -1.603 4.002 -1.650 1.00 75.51 H new ATOM 0 HB3 GLU A 21 -0.117 4.592 -2.369 1.00 75.51 H new ATOM 0 HG2 GLU A 21 -0.467 6.826 -1.494 1.00 51.12 H new ATOM 0 HG3 GLU A 21 -2.120 6.464 -1.039 1.00 51.12 H new ATOM 313 N GLY A 22 -4.224 4.720 -3.004 1.00 45.15 N ATOM 314 CA GLY A 22 -5.617 4.998 -2.703 1.00 72.12 C ATOM 315 C GLY A 22 -6.182 3.970 -1.721 1.00 10.12 C ATOM 316 O GLY A 22 -5.440 3.153 -1.177 1.00 41.34 O ATOM 0 H GLY A 22 -4.011 3.735 -3.164 1.00 45.15 H new ATOM 0 HA2 GLY A 22 -5.709 5.998 -2.280 1.00 72.12 H new ATOM 0 HA3 GLY A 22 -6.201 4.986 -3.623 1.00 72.12 H new ATOM 320 N GLY A 23 -7.490 4.043 -1.524 1.00 12.20 N ATOM 321 CA GLY A 23 -8.163 3.128 -0.616 1.00 42.54 C ATOM 322 C GLY A 23 -8.661 1.887 -1.359 1.00 41.21 C ATOM 323 O GLY A 23 -9.763 1.406 -1.103 1.00 21.24 O ATOM 0 H GLY A 23 -8.102 4.721 -1.977 1.00 12.20 H new ATOM 0 HA2 GLY A 23 -7.479 2.830 0.179 1.00 42.54 H new ATOM 0 HA3 GLY A 23 -9.004 3.634 -0.141 1.00 42.54 H new ATOM 327 N GLY A 24 -7.823 1.403 -2.265 1.00 15.21 N ATOM 328 CA GLY A 24 -8.165 0.227 -3.047 1.00 22.44 C ATOM 329 C GLY A 24 -6.920 -0.608 -3.352 1.00 63.21 C ATOM 330 O GLY A 24 -5.800 -0.193 -3.055 1.00 15.11 O ATOM 0 H GLY A 24 -6.909 1.804 -2.475 1.00 15.21 H new ATOM 0 HA2 GLY A 24 -8.889 -0.379 -2.502 1.00 22.44 H new ATOM 0 HA3 GLY A 24 -8.641 0.531 -3.979 1.00 22.44 H new ATOM 334 N THR A 25 -7.156 -1.771 -3.942 1.00 73.31 N ATOM 335 CA THR A 25 -6.068 -2.668 -4.291 1.00 71.53 C ATOM 336 C THR A 25 -6.016 -2.879 -5.806 1.00 3.12 C ATOM 337 O THR A 25 -7.042 -2.814 -6.482 1.00 3.52 O ATOM 338 CB THR A 25 -6.255 -3.966 -3.504 1.00 21.55 C ATOM 339 OG1 THR A 25 -5.702 -3.678 -2.222 1.00 63.25 O ATOM 340 CG2 THR A 25 -5.384 -5.106 -4.038 1.00 60.12 C ATOM 0 H THR A 25 -8.085 -2.113 -4.187 1.00 73.31 H new ATOM 0 HA THR A 25 -5.102 -2.242 -4.020 1.00 71.53 H new ATOM 0 HB THR A 25 -7.303 -4.263 -3.539 1.00 21.55 H new ATOM 0 HG1 THR A 25 -5.783 -4.467 -1.646 1.00 63.25 H new ATOM 0 HG21 THR A 25 -5.555 -6.004 -3.444 1.00 60.12 H new ATOM 0 HG22 THR A 25 -5.642 -5.304 -5.078 1.00 60.12 H new ATOM 0 HG23 THR A 25 -4.334 -4.823 -3.973 1.00 60.12 H new ATOM 348 N LEU A 26 -4.809 -3.127 -6.296 1.00 12.35 N ATOM 349 CA LEU A 26 -4.610 -3.347 -7.717 1.00 43.34 C ATOM 350 C LEU A 26 -4.922 -4.807 -8.052 1.00 52.51 C ATOM 351 O LEU A 26 -4.359 -5.719 -7.451 1.00 22.12 O ATOM 352 CB LEU A 26 -3.204 -2.908 -8.135 1.00 52.11 C ATOM 353 CG LEU A 26 -2.639 -1.687 -7.407 1.00 44.14 C ATOM 354 CD1 LEU A 26 -1.119 -1.787 -7.267 1.00 23.11 C ATOM 355 CD2 LEU A 26 -3.065 -0.391 -8.098 1.00 55.55 C ATOM 0 H LEU A 26 -3.960 -3.180 -5.733 1.00 12.35 H new ATOM 0 HA LEU A 26 -5.298 -2.732 -8.297 1.00 43.34 H new ATOM 0 HB2 LEU A 26 -2.523 -3.745 -7.982 1.00 52.11 H new ATOM 0 HB3 LEU A 26 -3.214 -2.697 -9.204 1.00 52.11 H new ATOM 0 HG LEU A 26 -3.055 -1.668 -6.400 1.00 44.14 H new ATOM 0 HD11 LEU A 26 -0.743 -0.907 -6.746 1.00 23.11 H new ATOM 0 HD12 LEU A 26 -0.864 -2.681 -6.699 1.00 23.11 H new ATOM 0 HD13 LEU A 26 -0.665 -1.844 -8.257 1.00 23.11 H new ATOM 0 HD21 LEU A 26 -2.650 0.461 -7.560 1.00 55.55 H new ATOM 0 HD22 LEU A 26 -2.696 -0.387 -9.124 1.00 55.55 H new ATOM 0 HD23 LEU A 26 -4.153 -0.322 -8.103 1.00 55.55 H new ATOM 367 N VAL A 27 -5.822 -4.981 -9.010 1.00 4.12 N ATOM 368 CA VAL A 27 -6.217 -6.314 -9.432 1.00 21.14 C ATOM 369 C VAL A 27 -5.896 -6.490 -10.918 1.00 33.24 C ATOM 370 O VAL A 27 -5.970 -5.535 -11.689 1.00 71.01 O ATOM 371 CB VAL A 27 -7.693 -6.550 -9.106 1.00 23.14 C ATOM 372 CG1 VAL A 27 -8.267 -7.687 -9.954 1.00 3.31 C ATOM 373 CG2 VAL A 27 -7.887 -6.826 -7.614 1.00 75.31 C ATOM 0 H VAL A 27 -6.288 -4.221 -9.505 1.00 4.12 H new ATOM 0 HA VAL A 27 -5.653 -7.071 -8.886 1.00 21.14 H new ATOM 0 HB VAL A 27 -8.240 -5.640 -9.352 1.00 23.14 H new ATOM 0 HG11 VAL A 27 -9.317 -7.834 -9.702 1.00 3.31 H new ATOM 0 HG12 VAL A 27 -8.179 -7.433 -11.010 1.00 3.31 H new ATOM 0 HG13 VAL A 27 -7.714 -8.605 -9.754 1.00 3.31 H new ATOM 0 HG21 VAL A 27 -8.945 -6.990 -7.409 1.00 75.31 H new ATOM 0 HG22 VAL A 27 -7.321 -7.713 -7.331 1.00 75.31 H new ATOM 0 HG23 VAL A 27 -7.534 -5.971 -7.037 1.00 75.31 H new ATOM 383 N CYS A 28 -5.547 -7.717 -11.273 1.00 73.34 N ATOM 384 CA CYS A 28 -5.216 -8.031 -12.653 1.00 11.11 C ATOM 385 C CYS A 28 -5.418 -9.532 -12.866 1.00 50.25 C ATOM 386 O CYS A 28 -4.933 -10.345 -12.081 1.00 62.41 O ATOM 387 CB CYS A 28 -3.795 -7.589 -13.008 1.00 22.34 C ATOM 388 SG CYS A 28 -3.412 -7.598 -14.797 1.00 41.12 S ATOM 0 H CYS A 28 -5.486 -8.506 -10.629 1.00 73.34 H new ATOM 0 HA CYS A 28 -5.875 -7.479 -13.323 1.00 11.11 H new ATOM 0 HB2 CYS A 28 -3.636 -6.582 -12.622 1.00 22.34 H new ATOM 0 HB3 CYS A 28 -3.088 -8.242 -12.496 1.00 22.34 H new ATOM 393 N CYS A 29 -6.134 -9.854 -13.933 1.00 73.43 N ATOM 394 CA CYS A 29 -6.406 -11.244 -14.260 1.00 63.15 C ATOM 395 C CYS A 29 -7.109 -11.891 -13.065 1.00 2.44 C ATOM 396 O CYS A 29 -6.750 -12.991 -12.650 1.00 60.20 O ATOM 397 CB CYS A 29 -5.130 -11.995 -14.646 1.00 1.24 C ATOM 398 SG CYS A 29 -4.203 -11.264 -16.044 1.00 5.31 S ATOM 0 H CYS A 29 -6.534 -9.177 -14.582 1.00 73.43 H new ATOM 0 HA CYS A 29 -7.057 -11.293 -15.133 1.00 63.15 H new ATOM 0 HB2 CYS A 29 -4.474 -12.039 -13.777 1.00 1.24 H new ATOM 0 HB3 CYS A 29 -5.392 -13.022 -14.900 1.00 1.24 H new ATOM 403 N GLY A 30 -8.097 -11.178 -12.544 1.00 72.13 N ATOM 404 CA GLY A 30 -8.853 -11.668 -11.404 1.00 45.31 C ATOM 405 C GLY A 30 -7.921 -12.067 -10.258 1.00 52.53 C ATOM 406 O GLY A 30 -8.233 -12.972 -9.486 1.00 44.25 O ATOM 0 H GLY A 30 -8.391 -10.265 -12.890 1.00 72.13 H new ATOM 0 HA2 GLY A 30 -9.545 -10.897 -11.063 1.00 45.31 H new ATOM 0 HA3 GLY A 30 -9.455 -12.526 -11.704 1.00 45.31 H new ATOM 410 N GLU A 31 -6.796 -11.370 -10.184 1.00 3.02 N ATOM 411 CA GLU A 31 -5.817 -11.640 -9.145 1.00 42.11 C ATOM 412 C GLU A 31 -5.388 -10.337 -8.468 1.00 14.31 C ATOM 413 O GLU A 31 -5.468 -9.266 -9.067 1.00 73.10 O ATOM 414 CB GLU A 31 -4.608 -12.387 -9.712 1.00 45.42 C ATOM 415 CG GLU A 31 -4.463 -13.766 -9.068 1.00 30.21 C ATOM 416 CD GLU A 31 -3.356 -13.765 -8.011 1.00 53.03 C ATOM 417 OE1 GLU A 31 -3.336 -12.887 -7.135 1.00 54.45 O ATOM 418 OE2 GLU A 31 -2.497 -14.720 -8.121 1.00 1.12 O ATOM 0 H GLU A 31 -6.541 -10.620 -10.826 1.00 3.02 H new ATOM 0 HA GLU A 31 -6.280 -12.281 -8.395 1.00 42.11 H new ATOM 0 HB2 GLU A 31 -4.717 -12.496 -10.791 1.00 45.42 H new ATOM 0 HB3 GLU A 31 -3.703 -11.805 -9.540 1.00 45.42 H new ATOM 0 HG2 GLU A 31 -5.408 -14.058 -8.610 1.00 30.21 H new ATOM 0 HG3 GLU A 31 -4.238 -14.507 -9.835 1.00 30.21 H new ATOM 425 N ASP A 32 -4.943 -10.470 -7.227 1.00 32.24 N ATOM 426 CA ASP A 32 -4.503 -9.317 -6.461 1.00 11.30 C ATOM 427 C ASP A 32 -3.036 -9.026 -6.784 1.00 11.23 C ATOM 428 O ASP A 32 -2.139 -9.671 -6.243 1.00 23.10 O ATOM 429 CB ASP A 32 -4.614 -9.577 -4.958 1.00 32.03 C ATOM 430 CG ASP A 32 -5.869 -10.338 -4.525 1.00 1.42 C ATOM 431 OD1 ASP A 32 -6.970 -9.771 -4.462 1.00 4.32 O ATOM 432 OD2 ASP A 32 -5.681 -11.582 -4.240 1.00 71.45 O ATOM 0 H ASP A 32 -4.878 -11.360 -6.733 1.00 32.24 H new ATOM 0 HA ASP A 32 -5.139 -8.473 -6.728 1.00 11.30 H new ATOM 0 HB2 ASP A 32 -3.737 -10.139 -4.636 1.00 32.03 H new ATOM 0 HB3 ASP A 32 -4.589 -8.620 -4.436 1.00 32.03 H new ATOM 437 N MET A 33 -2.837 -8.055 -7.664 1.00 31.41 N ATOM 438 CA MET A 33 -1.494 -7.673 -8.064 1.00 44.42 C ATOM 439 C MET A 33 -0.539 -7.687 -6.868 1.00 73.50 C ATOM 440 O MET A 33 -0.807 -7.053 -5.848 1.00 73.45 O ATOM 441 CB MET A 33 -1.524 -6.270 -8.677 1.00 22.52 C ATOM 442 CG MET A 33 -1.679 -6.340 -10.197 1.00 4.22 C ATOM 443 SD MET A 33 -0.733 -5.035 -10.966 1.00 73.55 S ATOM 444 CE MET A 33 -1.949 -3.728 -10.964 1.00 25.13 C ATOM 0 H MET A 33 -3.583 -7.522 -8.111 1.00 31.41 H new ATOM 0 HA MET A 33 -1.136 -8.394 -8.799 1.00 44.42 H new ATOM 0 HB2 MET A 33 -2.349 -5.700 -8.250 1.00 22.52 H new ATOM 0 HB3 MET A 33 -0.606 -5.739 -8.425 1.00 22.52 H new ATOM 0 HG2 MET A 33 -1.340 -7.310 -10.561 1.00 4.22 H new ATOM 0 HG3 MET A 33 -2.731 -6.247 -10.469 1.00 4.22 H new ATOM 0 HE1 MET A 33 -2.015 -3.291 -11.960 1.00 25.13 H new ATOM 0 HE2 MET A 33 -2.920 -4.135 -10.681 1.00 25.13 H new ATOM 0 HE3 MET A 33 -1.656 -2.959 -10.249 1.00 25.13 H new ATOM 454 N VAL A 34 0.554 -8.417 -7.034 1.00 52.51 N ATOM 455 CA VAL A 34 1.549 -8.523 -5.980 1.00 50.24 C ATOM 456 C VAL A 34 2.455 -7.290 -6.016 1.00 12.03 C ATOM 457 O VAL A 34 2.492 -6.571 -7.012 1.00 10.41 O ATOM 458 CB VAL A 34 2.322 -9.836 -6.119 1.00 55.34 C ATOM 459 CG1 VAL A 34 3.095 -10.156 -4.839 1.00 40.42 C ATOM 460 CG2 VAL A 34 1.383 -10.986 -6.495 1.00 4.04 C ATOM 0 H VAL A 34 0.773 -8.940 -7.882 1.00 52.51 H new ATOM 0 HA VAL A 34 1.068 -8.547 -5.002 1.00 50.24 H new ATOM 0 HB VAL A 34 3.046 -9.716 -6.925 1.00 55.34 H new ATOM 0 HG11 VAL A 34 3.635 -11.094 -4.965 1.00 40.42 H new ATOM 0 HG12 VAL A 34 3.804 -9.354 -4.632 1.00 40.42 H new ATOM 0 HG13 VAL A 34 2.398 -10.248 -4.006 1.00 40.42 H new ATOM 0 HG21 VAL A 34 1.956 -11.908 -6.588 1.00 4.04 H new ATOM 0 HG22 VAL A 34 0.626 -11.106 -5.720 1.00 4.04 H new ATOM 0 HG23 VAL A 34 0.897 -10.763 -7.445 1.00 4.04 H new ATOM 470 N LYS A 35 3.164 -7.085 -4.916 1.00 2.15 N ATOM 471 CA LYS A 35 4.068 -5.952 -4.808 1.00 13.53 C ATOM 472 C LYS A 35 5.512 -6.453 -4.839 1.00 23.22 C ATOM 473 O LYS A 35 5.815 -7.519 -4.305 1.00 41.00 O ATOM 474 CB LYS A 35 3.733 -5.115 -3.570 1.00 62.42 C ATOM 475 CG LYS A 35 4.562 -5.564 -2.365 1.00 12.40 C ATOM 476 CD LYS A 35 5.830 -4.718 -2.226 1.00 34.23 C ATOM 477 CE LYS A 35 5.538 -3.411 -1.487 1.00 31.13 C ATOM 478 NZ LYS A 35 6.231 -3.389 -0.180 1.00 3.25 N ATOM 0 H LYS A 35 3.131 -7.684 -4.091 1.00 2.15 H new ATOM 0 HA LYS A 35 3.944 -5.283 -5.660 1.00 13.53 H new ATOM 0 HB2 LYS A 35 3.924 -4.062 -3.776 1.00 62.42 H new ATOM 0 HB3 LYS A 35 2.671 -5.207 -3.340 1.00 62.42 H new ATOM 0 HG2 LYS A 35 3.964 -5.482 -1.457 1.00 12.40 H new ATOM 0 HG3 LYS A 35 4.832 -6.614 -2.475 1.00 12.40 H new ATOM 0 HD2 LYS A 35 6.591 -5.283 -1.687 1.00 34.23 H new ATOM 0 HD3 LYS A 35 6.235 -4.499 -3.214 1.00 34.23 H new ATOM 0 HE2 LYS A 35 5.862 -2.564 -2.092 1.00 31.13 H new ATOM 0 HE3 LYS A 35 4.464 -3.303 -1.338 1.00 31.13 H new ATOM 0 HZ1 LYS A 35 6.022 -2.495 0.309 1.00 3.25 H new ATOM 0 HZ2 LYS A 35 5.902 -4.186 0.401 1.00 3.25 H new ATOM 0 HZ3 LYS A 35 7.257 -3.470 -0.330 1.00 3.25 H new ATOM 491 N GLN A 36 6.366 -5.660 -5.470 1.00 2.35 N ATOM 492 CA GLN A 36 7.773 -6.010 -5.577 1.00 51.03 C ATOM 493 C GLN A 36 8.535 -5.529 -4.341 1.00 71.44 C ATOM 494 O GLN A 36 8.512 -4.343 -4.015 1.00 70.34 O ATOM 495 CB GLN A 36 8.384 -5.435 -6.857 1.00 50.23 C ATOM 496 CG GLN A 36 7.394 -5.514 -8.021 1.00 61.52 C ATOM 497 CD GLN A 36 7.341 -6.929 -8.600 1.00 61.11 C ATOM 498 OE1 GLN A 36 8.279 -7.413 -9.212 1.00 65.45 O ATOM 499 NE2 GLN A 36 6.195 -7.564 -8.372 1.00 52.04 N ATOM 0 H GLN A 36 6.111 -4.777 -5.912 1.00 2.35 H new ATOM 0 HA GLN A 36 7.855 -7.096 -5.630 1.00 51.03 H new ATOM 0 HB2 GLN A 36 8.674 -4.397 -6.691 1.00 50.23 H new ATOM 0 HB3 GLN A 36 9.292 -5.983 -7.109 1.00 50.23 H new ATOM 0 HG2 GLN A 36 6.402 -5.219 -7.680 1.00 61.52 H new ATOM 0 HG3 GLN A 36 7.686 -4.809 -8.800 1.00 61.52 H new ATOM 0 HE21 GLN A 36 5.450 -7.100 -7.852 1.00 52.04 H new ATOM 0 HE22 GLN A 36 6.061 -8.515 -8.717 1.00 52.04 H new TER 508 GLN A 36 ATOM 509 N ALA B 1 -1.129 -1.796 -22.069 1.00 3.20 N ATOM 510 CA ALA B 1 -1.735 -0.514 -22.386 1.00 11.41 C ATOM 511 C ALA B 1 -0.643 0.473 -22.804 1.00 32.41 C ATOM 512 O ALA B 1 -0.310 1.391 -22.056 1.00 73.02 O ATOM 513 CB ALA B 1 -2.538 -0.018 -21.181 1.00 22.25 C ATOM 0 H1 ALA B 1 -1.835 -2.551 -22.182 1.00 3.20 H new ATOM 0 H2 ALA B 1 -0.329 -1.970 -22.711 1.00 3.20 H new ATOM 0 H3 ALA B 1 -0.788 -1.785 -21.086 1.00 3.20 H new ATOM 0 HA ALA B 1 -2.427 -0.613 -23.222 1.00 11.41 H new ATOM 0 HB1 ALA B 1 -2.993 0.944 -21.418 1.00 22.25 H new ATOM 0 HB2 ALA B 1 -3.319 -0.740 -20.942 1.00 22.25 H new ATOM 0 HB3 ALA B 1 -1.875 0.096 -20.324 1.00 22.25 H new ATOM 519 N ASN B 2 -0.115 0.249 -23.998 1.00 43.22 N ATOM 520 CA ASN B 2 0.933 1.107 -24.526 1.00 55.21 C ATOM 521 C ASN B 2 1.923 1.441 -23.409 1.00 3.32 C ATOM 522 O ASN B 2 1.745 2.422 -22.690 1.00 4.54 O ATOM 523 CB ASN B 2 0.355 2.422 -25.053 1.00 74.43 C ATOM 524 CG ASN B 2 -0.602 2.171 -26.221 1.00 0.15 C ATOM 525 OD1 ASN B 2 -0.545 1.157 -26.896 1.00 54.35 O ATOM 526 ND2 ASN B 2 -1.482 3.148 -26.419 1.00 2.21 N ATOM 0 H ASN B 2 -0.393 -0.514 -24.615 1.00 43.22 H new ATOM 0 HA ASN B 2 1.424 0.576 -25.341 1.00 55.21 H new ATOM 0 HB2 ASN B 2 -0.172 2.939 -24.251 1.00 74.43 H new ATOM 0 HB3 ASN B 2 1.165 3.076 -25.376 1.00 74.43 H new ATOM 0 HD21 ASN B 2 -2.164 3.075 -27.174 1.00 2.21 H new ATOM 0 HD22 ASN B 2 -1.475 3.971 -25.816 1.00 2.21 H new ATOM 533 N GLU B 3 2.946 0.605 -23.298 1.00 15.40 N ATOM 534 CA GLU B 3 3.964 0.799 -22.281 1.00 3.12 C ATOM 535 C GLU B 3 4.249 2.290 -22.091 1.00 54.53 C ATOM 536 O GLU B 3 4.473 3.011 -23.063 1.00 31.11 O ATOM 537 CB GLU B 3 5.243 0.038 -22.633 1.00 62.42 C ATOM 538 CG GLU B 3 6.248 0.090 -21.481 1.00 63.30 C ATOM 539 CD GLU B 3 7.373 -0.926 -21.687 1.00 31.21 C ATOM 540 OE1 GLU B 3 8.293 -0.680 -22.481 1.00 34.41 O ATOM 541 OE2 GLU B 3 7.268 -2.004 -20.987 1.00 22.45 O ATOM 0 H GLU B 3 3.091 -0.208 -23.896 1.00 15.40 H new ATOM 0 HA GLU B 3 3.589 0.398 -21.339 1.00 3.12 H new ATOM 0 HB2 GLU B 3 5.001 -1.000 -22.862 1.00 62.42 H new ATOM 0 HB3 GLU B 3 5.690 0.467 -23.530 1.00 62.42 H new ATOM 0 HG2 GLU B 3 6.668 1.093 -21.406 1.00 63.30 H new ATOM 0 HG3 GLU B 3 5.738 -0.113 -20.539 1.00 63.30 H new ATOM 548 N GLY B 4 4.229 2.710 -20.834 1.00 72.54 N ATOM 549 CA GLY B 4 4.482 4.102 -20.506 1.00 1.51 C ATOM 550 C GLY B 4 3.171 4.873 -20.341 1.00 14.13 C ATOM 551 O GLY B 4 3.159 6.102 -20.391 1.00 34.25 O ATOM 0 H GLY B 4 4.041 2.110 -20.031 1.00 72.54 H new ATOM 0 HA2 GLY B 4 5.062 4.163 -19.585 1.00 1.51 H new ATOM 0 HA3 GLY B 4 5.082 4.561 -21.292 1.00 1.51 H new ATOM 555 N ASP B 5 2.098 4.120 -20.148 1.00 71.52 N ATOM 556 CA ASP B 5 0.785 4.716 -19.975 1.00 54.34 C ATOM 557 C ASP B 5 0.481 4.847 -18.482 1.00 55.50 C ATOM 558 O ASP B 5 0.922 4.025 -17.680 1.00 62.43 O ATOM 559 CB ASP B 5 -0.303 3.845 -20.605 1.00 55.15 C ATOM 560 CG ASP B 5 -0.459 3.997 -22.120 1.00 11.54 C ATOM 561 OD1 ASP B 5 0.403 4.581 -22.795 1.00 23.43 O ATOM 562 OD2 ASP B 5 -1.534 3.481 -22.612 1.00 41.40 O ATOM 0 H ASP B 5 2.112 3.101 -20.108 1.00 71.52 H new ATOM 0 HA ASP B 5 0.792 5.692 -20.461 1.00 54.34 H new ATOM 0 HB2 ASP B 5 -0.086 2.801 -20.381 1.00 55.15 H new ATOM 0 HB3 ASP B 5 -1.256 4.082 -20.132 1.00 55.15 H new ATOM 567 N VAL B 6 -0.271 5.887 -18.152 1.00 52.02 N ATOM 568 CA VAL B 6 -0.640 6.136 -16.769 1.00 43.21 C ATOM 569 C VAL B 6 -2.158 6.019 -16.621 1.00 24.44 C ATOM 570 O VAL B 6 -2.907 6.503 -17.468 1.00 64.40 O ATOM 571 CB VAL B 6 -0.098 7.495 -16.319 1.00 61.40 C ATOM 572 CG1 VAL B 6 -0.927 8.060 -15.164 1.00 62.11 C ATOM 573 CG2 VAL B 6 1.381 7.397 -15.937 1.00 73.10 C ATOM 0 H VAL B 6 -0.635 6.567 -18.819 1.00 52.02 H new ATOM 0 HA VAL B 6 -0.191 5.389 -16.114 1.00 43.21 H new ATOM 0 HB VAL B 6 -0.181 8.184 -17.159 1.00 61.40 H new ATOM 0 HG11 VAL B 6 -0.521 9.026 -14.863 1.00 62.11 H new ATOM 0 HG12 VAL B 6 -1.961 8.185 -15.485 1.00 62.11 H new ATOM 0 HG13 VAL B 6 -0.890 7.372 -14.319 1.00 62.11 H new ATOM 0 HG21 VAL B 6 1.741 8.376 -15.621 1.00 73.10 H new ATOM 0 HG22 VAL B 6 1.499 6.686 -15.119 1.00 73.10 H new ATOM 0 HG23 VAL B 6 1.958 7.059 -16.798 1.00 73.10 H new ATOM 583 N TYR B 7 -2.566 5.373 -15.538 1.00 53.43 N ATOM 584 CA TYR B 7 -3.982 5.186 -15.268 1.00 1.54 C ATOM 585 C TYR B 7 -4.345 5.690 -13.869 1.00 63.03 C ATOM 586 O TYR B 7 -3.618 5.440 -12.908 1.00 45.54 O ATOM 587 CB TYR B 7 -4.228 3.678 -15.334 1.00 22.33 C ATOM 588 CG TYR B 7 -4.584 3.167 -16.731 1.00 62.41 C ATOM 589 CD1 TYR B 7 -3.711 3.364 -17.782 1.00 34.53 C ATOM 590 CD2 TYR B 7 -5.778 2.506 -16.941 1.00 2.52 C ATOM 591 CE1 TYR B 7 -4.046 2.882 -19.097 1.00 10.03 C ATOM 592 CE2 TYR B 7 -6.113 2.025 -18.257 1.00 31.34 C ATOM 593 CZ TYR B 7 -5.230 2.236 -19.269 1.00 41.23 C ATOM 594 OH TYR B 7 -5.546 1.782 -20.512 1.00 35.35 O ATOM 0 H TYR B 7 -1.941 4.973 -14.838 1.00 53.43 H new ATOM 0 HA TYR B 7 -4.586 5.740 -15.986 1.00 1.54 H new ATOM 0 HB2 TYR B 7 -3.335 3.159 -14.985 1.00 22.33 H new ATOM 0 HB3 TYR B 7 -5.035 3.421 -14.648 1.00 22.33 H new ATOM 0 HD1 TYR B 7 -2.776 3.880 -17.618 1.00 34.53 H new ATOM 0 HD2 TYR B 7 -6.461 2.350 -16.119 1.00 2.52 H new ATOM 0 HE1 TYR B 7 -3.372 3.030 -19.928 1.00 10.03 H new ATOM 0 HE2 TYR B 7 -7.045 1.508 -18.436 1.00 31.34 H new ATOM 0 HH TYR B 7 -6.420 1.340 -20.486 1.00 35.35 H new ATOM 604 N LYS B 8 -5.468 6.389 -13.799 1.00 40.45 N ATOM 605 CA LYS B 8 -5.935 6.930 -12.534 1.00 32.34 C ATOM 606 C LYS B 8 -7.414 6.582 -12.351 1.00 64.42 C ATOM 607 O LYS B 8 -8.141 6.414 -13.329 1.00 75.32 O ATOM 608 CB LYS B 8 -5.641 8.428 -12.450 1.00 40.10 C ATOM 609 CG LYS B 8 -6.524 9.102 -11.398 1.00 43.32 C ATOM 610 CD LYS B 8 -6.162 10.581 -11.245 1.00 11.12 C ATOM 611 CE LYS B 8 -6.381 11.053 -9.805 1.00 25.30 C ATOM 612 NZ LYS B 8 -6.586 12.517 -9.765 1.00 40.25 N ATOM 0 H LYS B 8 -6.068 6.593 -14.598 1.00 40.45 H new ATOM 0 HA LYS B 8 -5.395 6.476 -11.703 1.00 32.34 H new ATOM 0 HB2 LYS B 8 -4.591 8.583 -12.202 1.00 40.10 H new ATOM 0 HB3 LYS B 8 -5.810 8.891 -13.422 1.00 40.10 H new ATOM 0 HG2 LYS B 8 -7.572 9.008 -11.683 1.00 43.32 H new ATOM 0 HG3 LYS B 8 -6.407 8.594 -10.441 1.00 43.32 H new ATOM 0 HD2 LYS B 8 -5.121 10.735 -11.528 1.00 11.12 H new ATOM 0 HD3 LYS B 8 -6.769 11.180 -11.924 1.00 11.12 H new ATOM 0 HE2 LYS B 8 -7.247 10.547 -9.378 1.00 25.30 H new ATOM 0 HE3 LYS B 8 -5.520 10.784 -9.193 1.00 25.30 H new ATOM 0 HZ1 LYS B 8 -6.733 12.820 -8.781 1.00 40.25 H new ATOM 0 HZ2 LYS B 8 -5.748 12.996 -10.153 1.00 40.25 H new ATOM 0 HZ3 LYS B 8 -7.421 12.766 -10.332 1.00 40.25 H new ATOM 625 N CYS B 9 -7.814 6.484 -11.093 1.00 20.25 N ATOM 626 CA CYS B 9 -9.193 6.158 -10.769 1.00 54.21 C ATOM 627 C CYS B 9 -9.958 7.467 -10.557 1.00 45.31 C ATOM 628 O CYS B 9 -9.356 8.538 -10.487 1.00 22.53 O ATOM 629 CB CYS B 9 -9.287 5.239 -9.550 1.00 11.22 C ATOM 630 SG CYS B 9 -10.913 4.427 -9.324 1.00 74.50 S ATOM 0 H CYS B 9 -7.208 6.625 -10.285 1.00 20.25 H new ATOM 0 HA CYS B 9 -9.642 5.604 -11.594 1.00 54.21 H new ATOM 0 HB2 CYS B 9 -8.520 4.469 -9.633 1.00 11.22 H new ATOM 0 HB3 CYS B 9 -9.059 5.820 -8.656 1.00 11.22 H new ATOM 635 N GLU B 10 -11.273 7.337 -10.460 1.00 42.12 N ATOM 636 CA GLU B 10 -12.126 8.496 -10.257 1.00 20.25 C ATOM 637 C GLU B 10 -12.826 8.409 -8.900 1.00 72.21 C ATOM 638 O GLU B 10 -13.658 9.253 -8.571 1.00 2.12 O ATOM 639 CB GLU B 10 -13.143 8.633 -11.391 1.00 32.15 C ATOM 640 CG GLU B 10 -12.463 8.514 -12.756 1.00 4.12 C ATOM 641 CD GLU B 10 -12.048 9.889 -13.284 1.00 45.24 C ATOM 642 OE1 GLU B 10 -12.543 10.915 -12.796 1.00 11.40 O ATOM 643 OE2 GLU B 10 -11.176 9.868 -14.235 1.00 72.01 O ATOM 0 H GLU B 10 -11.768 6.447 -10.518 1.00 42.12 H new ATOM 0 HA GLU B 10 -11.501 9.389 -10.264 1.00 20.25 H new ATOM 0 HB2 GLU B 10 -13.908 7.862 -11.293 1.00 32.15 H new ATOM 0 HB3 GLU B 10 -13.649 9.595 -11.316 1.00 32.15 H new ATOM 0 HG2 GLU B 10 -11.586 7.872 -12.675 1.00 4.12 H new ATOM 0 HG3 GLU B 10 -13.142 8.038 -13.464 1.00 4.12 H new ATOM 650 N LEU B 11 -12.464 7.379 -8.148 1.00 73.55 N ATOM 651 CA LEU B 11 -13.048 7.170 -6.833 1.00 61.05 C ATOM 652 C LEU B 11 -11.928 7.015 -5.802 1.00 52.21 C ATOM 653 O LEU B 11 -11.712 7.901 -4.978 1.00 4.22 O ATOM 654 CB LEU B 11 -14.025 5.993 -6.862 1.00 63.52 C ATOM 655 CG LEU B 11 -14.224 5.254 -5.537 1.00 63.13 C ATOM 656 CD1 LEU B 11 -15.069 6.084 -4.568 1.00 64.22 C ATOM 657 CD2 LEU B 11 -14.818 3.863 -5.769 1.00 41.33 C ATOM 0 H LEU B 11 -11.774 6.680 -8.424 1.00 73.55 H new ATOM 0 HA LEU B 11 -13.638 8.037 -6.535 1.00 61.05 H new ATOM 0 HB2 LEU B 11 -14.994 6.359 -7.200 1.00 63.52 H new ATOM 0 HB3 LEU B 11 -13.678 5.276 -7.606 1.00 63.52 H new ATOM 0 HG LEU B 11 -13.247 5.114 -5.074 1.00 63.13 H new ATOM 0 HD11 LEU B 11 -15.195 5.536 -3.634 1.00 64.22 H new ATOM 0 HD12 LEU B 11 -14.568 7.031 -4.368 1.00 64.22 H new ATOM 0 HD13 LEU B 11 -16.046 6.277 -5.011 1.00 64.22 H new ATOM 0 HD21 LEU B 11 -14.949 3.359 -4.811 1.00 41.33 H new ATOM 0 HD22 LEU B 11 -15.784 3.958 -6.265 1.00 41.33 H new ATOM 0 HD23 LEU B 11 -14.144 3.280 -6.397 1.00 41.33 H new ATOM 669 N CYS B 12 -11.246 5.882 -5.883 1.00 2.20 N ATOM 670 CA CYS B 12 -10.154 5.599 -4.967 1.00 10.54 C ATOM 671 C CYS B 12 -9.038 6.615 -5.221 1.00 11.52 C ATOM 672 O CYS B 12 -8.128 6.761 -4.406 1.00 33.43 O ATOM 673 CB CYS B 12 -9.657 4.159 -5.106 1.00 11.14 C ATOM 674 SG CYS B 12 -8.815 3.787 -6.687 1.00 1.12 S ATOM 0 H CYS B 12 -11.428 5.149 -6.569 1.00 2.20 H new ATOM 0 HA CYS B 12 -10.505 5.695 -3.939 1.00 10.54 H new ATOM 0 HB2 CYS B 12 -8.971 3.946 -4.286 1.00 11.14 H new ATOM 0 HB3 CYS B 12 -10.506 3.484 -4.995 1.00 11.14 H new ATOM 679 N GLY B 13 -9.146 7.292 -6.355 1.00 44.40 N ATOM 680 CA GLY B 13 -8.157 8.291 -6.726 1.00 33.31 C ATOM 681 C GLY B 13 -6.750 7.690 -6.743 1.00 31.12 C ATOM 682 O GLY B 13 -5.795 8.325 -6.300 1.00 21.54 O ATOM 0 H GLY B 13 -9.902 7.169 -7.028 1.00 44.40 H new ATOM 0 HA2 GLY B 13 -8.395 8.696 -7.710 1.00 33.31 H new ATOM 0 HA3 GLY B 13 -8.193 9.122 -6.022 1.00 33.31 H new ATOM 686 N GLN B 14 -6.668 6.471 -7.258 1.00 45.12 N ATOM 687 CA GLN B 14 -5.394 5.777 -7.337 1.00 42.12 C ATOM 688 C GLN B 14 -4.776 5.959 -8.726 1.00 33.42 C ATOM 689 O GLN B 14 -5.447 5.760 -9.738 1.00 12.15 O ATOM 690 CB GLN B 14 -5.555 4.295 -6.998 1.00 33.22 C ATOM 691 CG GLN B 14 -4.255 3.529 -7.254 1.00 11.34 C ATOM 692 CD GLN B 14 -4.543 2.104 -7.732 1.00 41.42 C ATOM 693 OE1 GLN B 14 -4.298 1.743 -8.872 1.00 3.14 O ATOM 694 NE2 GLN B 14 -5.076 1.319 -6.801 1.00 71.31 N ATOM 0 H GLN B 14 -7.463 5.947 -7.624 1.00 45.12 H new ATOM 0 HA GLN B 14 -4.719 6.212 -6.600 1.00 42.12 H new ATOM 0 HB2 GLN B 14 -5.845 4.187 -5.953 1.00 33.22 H new ATOM 0 HB3 GLN B 14 -6.358 3.866 -7.598 1.00 33.22 H new ATOM 0 HG2 GLN B 14 -3.661 4.054 -8.002 1.00 11.34 H new ATOM 0 HG3 GLN B 14 -3.662 3.497 -6.340 1.00 11.34 H new ATOM 0 HE21 GLN B 14 -5.255 1.686 -5.866 1.00 71.31 H new ATOM 0 HE22 GLN B 14 -5.306 0.350 -7.021 1.00 71.31 H new ATOM 703 N VAL B 15 -3.505 6.333 -8.729 1.00 74.43 N ATOM 704 CA VAL B 15 -2.791 6.542 -9.977 1.00 14.24 C ATOM 705 C VAL B 15 -1.595 5.590 -10.041 1.00 12.01 C ATOM 706 O VAL B 15 -0.800 5.523 -9.105 1.00 61.44 O ATOM 707 CB VAL B 15 -2.391 8.013 -10.110 1.00 15.02 C ATOM 708 CG1 VAL B 15 -1.710 8.276 -11.455 1.00 0.51 C ATOM 709 CG2 VAL B 15 -3.602 8.930 -9.920 1.00 30.04 C ATOM 0 H VAL B 15 -2.952 6.497 -7.888 1.00 74.43 H new ATOM 0 HA VAL B 15 -3.434 6.315 -10.828 1.00 14.24 H new ATOM 0 HB VAL B 15 -1.673 8.238 -9.321 1.00 15.02 H new ATOM 0 HG11 VAL B 15 -1.436 9.329 -11.524 1.00 0.51 H new ATOM 0 HG12 VAL B 15 -0.813 7.661 -11.535 1.00 0.51 H new ATOM 0 HG13 VAL B 15 -2.395 8.026 -12.265 1.00 0.51 H new ATOM 0 HG21 VAL B 15 -3.290 9.970 -10.019 1.00 30.04 H new ATOM 0 HG22 VAL B 15 -4.353 8.702 -10.677 1.00 30.04 H new ATOM 0 HG23 VAL B 15 -4.026 8.772 -8.929 1.00 30.04 H new ATOM 719 N VAL B 16 -1.506 4.877 -11.153 1.00 55.24 N ATOM 720 CA VAL B 16 -0.421 3.931 -11.352 1.00 71.22 C ATOM 721 C VAL B 16 0.079 4.031 -12.794 1.00 64.41 C ATOM 722 O VAL B 16 -0.595 4.601 -13.651 1.00 61.41 O ATOM 723 CB VAL B 16 -0.880 2.521 -10.974 1.00 4.20 C ATOM 724 CG1 VAL B 16 -1.102 2.403 -9.465 1.00 22.33 C ATOM 725 CG2 VAL B 16 -2.142 2.130 -11.746 1.00 65.32 C ATOM 0 H VAL B 16 -2.168 4.935 -11.927 1.00 55.24 H new ATOM 0 HA VAL B 16 0.419 4.170 -10.700 1.00 71.22 H new ATOM 0 HB VAL B 16 -0.088 1.825 -11.252 1.00 4.20 H new ATOM 0 HG11 VAL B 16 -1.428 1.391 -9.223 1.00 22.33 H new ATOM 0 HG12 VAL B 16 -0.170 2.619 -8.942 1.00 22.33 H new ATOM 0 HG13 VAL B 16 -1.866 3.115 -9.153 1.00 22.33 H new ATOM 0 HG21 VAL B 16 -2.447 1.124 -11.459 1.00 65.32 H new ATOM 0 HG22 VAL B 16 -2.943 2.832 -11.514 1.00 65.32 H new ATOM 0 HG23 VAL B 16 -1.936 2.155 -12.816 1.00 65.32 H new ATOM 735 N LYS B 17 1.257 3.467 -13.018 1.00 63.42 N ATOM 736 CA LYS B 17 1.856 3.485 -14.343 1.00 50.31 C ATOM 737 C LYS B 17 1.899 2.060 -14.898 1.00 70.51 C ATOM 738 O LYS B 17 1.835 1.093 -14.141 1.00 31.13 O ATOM 739 CB LYS B 17 3.222 4.172 -14.304 1.00 23.45 C ATOM 740 CG LYS B 17 3.738 4.448 -15.717 1.00 74.34 C ATOM 741 CD LYS B 17 5.159 5.012 -15.682 1.00 5.13 C ATOM 742 CE LYS B 17 5.177 6.480 -16.115 1.00 25.21 C ATOM 743 NZ LYS B 17 4.964 7.367 -14.950 1.00 32.54 N ATOM 0 H LYS B 17 1.813 2.995 -12.305 1.00 63.42 H new ATOM 0 HA LYS B 17 1.248 4.076 -15.028 1.00 50.31 H new ATOM 0 HB2 LYS B 17 3.146 5.108 -13.751 1.00 23.45 H new ATOM 0 HB3 LYS B 17 3.934 3.543 -13.769 1.00 23.45 H new ATOM 0 HG2 LYS B 17 3.723 3.527 -16.300 1.00 74.34 H new ATOM 0 HG3 LYS B 17 3.075 5.153 -16.219 1.00 74.34 H new ATOM 0 HD2 LYS B 17 5.565 4.921 -14.675 1.00 5.13 H new ATOM 0 HD3 LYS B 17 5.803 4.427 -16.339 1.00 5.13 H new ATOM 0 HE2 LYS B 17 6.131 6.714 -16.588 1.00 25.21 H new ATOM 0 HE3 LYS B 17 4.400 6.655 -16.860 1.00 25.21 H new ATOM 0 HZ1 LYS B 17 4.979 8.359 -15.262 1.00 32.54 H new ATOM 0 HZ2 LYS B 17 4.043 7.155 -14.516 1.00 32.54 H new ATOM 0 HZ3 LYS B 17 5.720 7.212 -14.253 1.00 32.54 H new ATOM 756 N VAL B 18 2.007 1.975 -16.215 1.00 71.03 N ATOM 757 CA VAL B 18 2.059 0.685 -16.881 1.00 31.22 C ATOM 758 C VAL B 18 3.484 0.427 -17.373 1.00 61.43 C ATOM 759 O VAL B 18 3.804 0.698 -18.530 1.00 4.23 O ATOM 760 CB VAL B 18 1.020 0.631 -18.002 1.00 44.41 C ATOM 761 CG1 VAL B 18 1.207 -0.619 -18.865 1.00 5.33 C ATOM 762 CG2 VAL B 18 -0.400 0.701 -17.439 1.00 10.51 C ATOM 0 H VAL B 18 2.060 2.780 -16.840 1.00 71.03 H new ATOM 0 HA VAL B 18 1.806 -0.114 -16.184 1.00 31.22 H new ATOM 0 HB VAL B 18 1.171 1.503 -18.639 1.00 44.41 H new ATOM 0 HG11 VAL B 18 0.455 -0.632 -19.654 1.00 5.33 H new ATOM 0 HG12 VAL B 18 2.201 -0.608 -19.311 1.00 5.33 H new ATOM 0 HG13 VAL B 18 1.098 -1.509 -18.245 1.00 5.33 H new ATOM 0 HG21 VAL B 18 -1.118 0.661 -18.258 1.00 10.51 H new ATOM 0 HG22 VAL B 18 -0.567 -0.141 -16.768 1.00 10.51 H new ATOM 0 HG23 VAL B 18 -0.528 1.634 -16.890 1.00 10.51 H new ATOM 772 N LEU B 19 4.303 -0.094 -16.470 1.00 42.22 N ATOM 773 CA LEU B 19 5.687 -0.391 -16.799 1.00 11.44 C ATOM 774 C LEU B 19 5.730 -1.502 -17.849 1.00 41.32 C ATOM 775 O LEU B 19 6.538 -1.454 -18.777 1.00 34.35 O ATOM 776 CB LEU B 19 6.482 -0.713 -15.531 1.00 53.55 C ATOM 777 CG LEU B 19 7.812 0.026 -15.368 1.00 34.12 C ATOM 778 CD1 LEU B 19 7.819 0.866 -14.089 1.00 62.14 C ATOM 779 CD2 LEU B 19 8.989 -0.950 -15.421 1.00 5.41 C ATOM 0 H LEU B 19 4.035 -0.318 -15.512 1.00 42.22 H new ATOM 0 HA LEU B 19 6.170 0.482 -17.238 1.00 11.44 H new ATOM 0 HB2 LEU B 19 5.856 -0.489 -14.667 1.00 53.55 H new ATOM 0 HB3 LEU B 19 6.680 -1.785 -15.512 1.00 53.55 H new ATOM 0 HG LEU B 19 7.927 0.715 -16.205 1.00 34.12 H new ATOM 0 HD11 LEU B 19 8.775 1.381 -13.997 1.00 62.14 H new ATOM 0 HD12 LEU B 19 7.014 1.600 -14.131 1.00 62.14 H new ATOM 0 HD13 LEU B 19 7.672 0.216 -13.226 1.00 62.14 H new ATOM 0 HD21 LEU B 19 9.923 -0.401 -15.303 1.00 5.41 H new ATOM 0 HD22 LEU B 19 8.893 -1.680 -14.617 1.00 5.41 H new ATOM 0 HD23 LEU B 19 8.991 -1.466 -16.381 1.00 5.41 H new ATOM 791 N GLU B 20 4.851 -2.476 -17.670 1.00 74.43 N ATOM 792 CA GLU B 20 4.778 -3.598 -18.591 1.00 51.04 C ATOM 793 C GLU B 20 3.320 -3.998 -18.827 1.00 1.20 C ATOM 794 O GLU B 20 2.603 -4.326 -17.884 1.00 52.12 O ATOM 795 CB GLU B 20 5.596 -4.784 -18.077 1.00 34.31 C ATOM 796 CG GLU B 20 7.085 -4.591 -18.368 1.00 61.42 C ATOM 797 CD GLU B 20 7.938 -5.010 -17.169 1.00 33.23 C ATOM 798 OE1 GLU B 20 7.902 -4.202 -16.165 1.00 14.53 O ATOM 799 OE2 GLU B 20 8.596 -6.061 -17.212 1.00 53.44 O ATOM 0 H GLU B 20 4.183 -2.512 -16.900 1.00 74.43 H new ATOM 0 HA GLU B 20 5.208 -3.289 -19.544 1.00 51.04 H new ATOM 0 HB2 GLU B 20 5.443 -4.897 -17.004 1.00 34.31 H new ATOM 0 HB3 GLU B 20 5.246 -5.703 -18.548 1.00 34.31 H new ATOM 0 HG2 GLU B 20 7.367 -5.178 -19.242 1.00 61.42 H new ATOM 0 HG3 GLU B 20 7.279 -3.546 -18.609 1.00 61.42 H new ATOM 806 N GLU B 21 2.926 -3.957 -20.091 1.00 64.22 N ATOM 807 CA GLU B 21 1.567 -4.311 -20.463 1.00 21.21 C ATOM 808 C GLU B 21 1.313 -5.797 -20.198 1.00 4.31 C ATOM 809 O GLU B 21 2.252 -6.590 -20.147 1.00 13.04 O ATOM 810 CB GLU B 21 1.289 -3.960 -21.926 1.00 34.40 C ATOM 811 CG GLU B 21 -0.104 -4.430 -22.347 1.00 54.23 C ATOM 812 CD GLU B 21 -0.431 -3.973 -23.771 1.00 45.40 C ATOM 813 OE1 GLU B 21 -0.140 -2.823 -24.135 1.00 12.34 O ATOM 814 OE2 GLU B 21 -1.005 -4.860 -24.511 1.00 10.32 O ATOM 0 H GLU B 21 3.524 -3.684 -20.871 1.00 64.22 H new ATOM 0 HA GLU B 21 0.880 -3.730 -19.847 1.00 21.21 H new ATOM 0 HB2 GLU B 21 1.371 -2.882 -22.067 1.00 34.40 H new ATOM 0 HB3 GLU B 21 2.041 -4.423 -22.564 1.00 34.40 H new ATOM 0 HG2 GLU B 21 -0.158 -5.517 -22.289 1.00 54.23 H new ATOM 0 HG3 GLU B 21 -0.849 -4.037 -21.655 1.00 54.23 H new ATOM 821 N GLY B 22 0.041 -6.127 -20.035 1.00 60.54 N ATOM 822 CA GLY B 22 -0.347 -7.503 -19.776 1.00 71.43 C ATOM 823 C GLY B 22 -1.537 -7.911 -20.648 1.00 10.42 C ATOM 824 O GLY B 22 -1.765 -7.327 -21.706 1.00 15.30 O ATOM 0 H GLY B 22 -0.734 -5.466 -20.077 1.00 60.54 H new ATOM 0 HA2 GLY B 22 0.496 -8.165 -19.972 1.00 71.43 H new ATOM 0 HA3 GLY B 22 -0.606 -7.620 -18.724 1.00 71.43 H new ATOM 828 N GLY B 23 -2.265 -8.910 -20.171 1.00 15.31 N ATOM 829 CA GLY B 23 -3.426 -9.402 -20.893 1.00 4.21 C ATOM 830 C GLY B 23 -4.656 -9.450 -19.986 1.00 13.23 C ATOM 831 O GLY B 23 -5.405 -10.425 -20.000 1.00 10.12 O ATOM 0 H GLY B 23 -2.073 -9.392 -19.293 1.00 15.31 H new ATOM 0 HA2 GLY B 23 -3.626 -8.758 -21.749 1.00 4.21 H new ATOM 0 HA3 GLY B 23 -3.220 -10.398 -21.285 1.00 4.21 H new ATOM 835 N GLY B 24 -4.828 -8.383 -19.219 1.00 1.13 N ATOM 836 CA GLY B 24 -5.955 -8.291 -18.306 1.00 71.20 C ATOM 837 C GLY B 24 -6.413 -6.840 -18.145 1.00 52.35 C ATOM 838 O GLY B 24 -6.136 -6.000 -19.000 1.00 1.34 O ATOM 0 H GLY B 24 -4.206 -7.575 -19.211 1.00 1.13 H new ATOM 0 HA2 GLY B 24 -6.780 -8.897 -18.679 1.00 71.20 H new ATOM 0 HA3 GLY B 24 -5.675 -8.698 -17.334 1.00 71.20 H new ATOM 842 N THR B 25 -7.106 -6.590 -17.044 1.00 51.12 N ATOM 843 CA THR B 25 -7.605 -5.255 -16.760 1.00 72.14 C ATOM 844 C THR B 25 -7.033 -4.742 -15.438 1.00 14.23 C ATOM 845 O THR B 25 -6.703 -5.531 -14.553 1.00 14.14 O ATOM 846 CB THR B 25 -9.133 -5.307 -16.783 1.00 31.52 C ATOM 847 OG1 THR B 25 -9.459 -5.357 -18.169 1.00 41.22 O ATOM 848 CG2 THR B 25 -9.771 -4.004 -16.298 1.00 20.25 C ATOM 0 H THR B 25 -7.334 -7.290 -16.338 1.00 51.12 H new ATOM 0 HA THR B 25 -7.279 -4.541 -17.517 1.00 72.14 H new ATOM 0 HB THR B 25 -9.476 -6.133 -16.161 1.00 31.52 H new ATOM 0 HG1 THR B 25 -10.433 -5.394 -18.275 1.00 41.22 H new ATOM 0 HG21 THR B 25 -10.857 -4.095 -16.334 1.00 20.25 H new ATOM 0 HG22 THR B 25 -9.458 -3.805 -15.273 1.00 20.25 H new ATOM 0 HG23 THR B 25 -9.454 -3.182 -16.940 1.00 20.25 H new ATOM 856 N LEU B 26 -6.933 -3.424 -15.344 1.00 33.32 N ATOM 857 CA LEU B 26 -6.409 -2.797 -14.143 1.00 64.14 C ATOM 858 C LEU B 26 -7.567 -2.436 -13.212 1.00 32.41 C ATOM 859 O LEU B 26 -8.063 -1.311 -13.239 1.00 23.12 O ATOM 860 CB LEU B 26 -5.518 -1.606 -14.507 1.00 20.34 C ATOM 861 CG LEU B 26 -4.272 -1.928 -15.334 1.00 31.11 C ATOM 862 CD1 LEU B 26 -3.392 -0.689 -15.506 1.00 1.44 C ATOM 863 CD2 LEU B 26 -3.498 -3.101 -14.727 1.00 13.43 C ATOM 0 H LEU B 26 -7.206 -2.773 -16.080 1.00 33.32 H new ATOM 0 HA LEU B 26 -5.769 -3.492 -13.599 1.00 64.14 H new ATOM 0 HB2 LEU B 26 -6.119 -0.883 -15.059 1.00 20.34 H new ATOM 0 HB3 LEU B 26 -5.202 -1.119 -13.585 1.00 20.34 H new ATOM 0 HG LEU B 26 -4.594 -2.235 -16.329 1.00 31.11 H new ATOM 0 HD11 LEU B 26 -2.513 -0.946 -16.098 1.00 1.44 H new ATOM 0 HD12 LEU B 26 -3.957 0.091 -16.016 1.00 1.44 H new ATOM 0 HD13 LEU B 26 -3.077 -0.328 -14.527 1.00 1.44 H new ATOM 0 HD21 LEU B 26 -2.617 -3.309 -15.334 1.00 13.43 H new ATOM 0 HD22 LEU B 26 -3.188 -2.847 -13.713 1.00 13.43 H new ATOM 0 HD23 LEU B 26 -4.137 -3.984 -14.700 1.00 13.43 H new ATOM 875 N VAL B 27 -7.965 -3.413 -12.410 1.00 60.12 N ATOM 876 CA VAL B 27 -9.057 -3.213 -11.472 1.00 24.13 C ATOM 877 C VAL B 27 -8.535 -2.473 -10.238 1.00 63.51 C ATOM 878 O VAL B 27 -7.345 -2.538 -9.928 1.00 34.20 O ATOM 879 CB VAL B 27 -9.709 -4.555 -11.133 1.00 44.33 C ATOM 880 CG1 VAL B 27 -10.312 -4.532 -9.727 1.00 52.53 C ATOM 881 CG2 VAL B 27 -10.762 -4.931 -12.176 1.00 32.32 C ATOM 0 H VAL B 27 -7.551 -4.345 -12.390 1.00 60.12 H new ATOM 0 HA VAL B 27 -9.835 -2.593 -11.918 1.00 24.13 H new ATOM 0 HB VAL B 27 -8.932 -5.319 -11.151 1.00 44.33 H new ATOM 0 HG11 VAL B 27 -10.769 -5.498 -9.511 1.00 52.53 H new ATOM 0 HG12 VAL B 27 -9.527 -4.331 -8.998 1.00 52.53 H new ATOM 0 HG13 VAL B 27 -11.070 -3.751 -9.669 1.00 52.53 H new ATOM 0 HG21 VAL B 27 -11.210 -5.889 -11.912 1.00 32.32 H new ATOM 0 HG22 VAL B 27 -11.536 -4.164 -12.205 1.00 32.32 H new ATOM 0 HG23 VAL B 27 -10.292 -5.009 -13.156 1.00 32.32 H new ATOM 891 N CYS B 28 -9.448 -1.788 -9.567 1.00 61.31 N ATOM 892 CA CYS B 28 -9.094 -1.038 -8.375 1.00 1.14 C ATOM 893 C CYS B 28 -10.383 -0.678 -7.633 1.00 34.24 C ATOM 894 O CYS B 28 -11.362 -0.259 -8.249 1.00 42.25 O ATOM 895 CB CYS B 28 -8.264 0.203 -8.711 1.00 74.24 C ATOM 896 SG CYS B 28 -9.193 1.546 -9.538 1.00 23.12 S ATOM 0 H CYS B 28 -10.433 -1.737 -9.826 1.00 61.31 H new ATOM 0 HA CYS B 28 -8.464 -1.652 -7.731 1.00 1.14 H new ATOM 0 HB2 CYS B 28 -7.831 0.593 -7.790 1.00 74.24 H new ATOM 0 HB3 CYS B 28 -7.434 -0.095 -9.352 1.00 74.24 H new ATOM 901 N CYS B 29 -10.343 -0.854 -6.320 1.00 44.24 N ATOM 902 CA CYS B 29 -11.495 -0.553 -5.489 1.00 35.44 C ATOM 903 C CYS B 29 -12.736 -1.152 -6.154 1.00 34.34 C ATOM 904 O CYS B 29 -13.604 -0.421 -6.630 1.00 43.11 O ATOM 905 CB CYS B 29 -11.645 0.951 -5.252 1.00 31.22 C ATOM 906 SG CYS B 29 -12.108 1.920 -6.734 1.00 32.45 S ATOM 0 H CYS B 29 -9.530 -1.202 -5.812 1.00 44.24 H new ATOM 0 HA CYS B 29 -11.361 -0.998 -4.503 1.00 35.44 H new ATOM 0 HB2 CYS B 29 -12.399 1.110 -4.481 1.00 31.22 H new ATOM 0 HB3 CYS B 29 -10.704 1.338 -4.861 1.00 31.22 H new ATOM 911 N GLY B 30 -12.782 -2.476 -6.164 1.00 11.41 N ATOM 912 CA GLY B 30 -13.903 -3.181 -6.763 1.00 22.43 C ATOM 913 C GLY B 30 -14.414 -2.446 -8.003 1.00 70.31 C ATOM 914 O GLY B 30 -15.612 -2.452 -8.283 1.00 3.14 O ATOM 0 H GLY B 30 -12.062 -3.079 -5.767 1.00 11.41 H new ATOM 0 HA2 GLY B 30 -13.598 -4.192 -7.035 1.00 22.43 H new ATOM 0 HA3 GLY B 30 -14.708 -3.276 -6.035 1.00 22.43 H new ATOM 918 N GLU B 31 -13.480 -1.832 -8.714 1.00 14.41 N ATOM 919 CA GLU B 31 -13.822 -1.094 -9.918 1.00 64.42 C ATOM 920 C GLU B 31 -12.764 -1.325 -10.999 1.00 4.40 C ATOM 921 O GLU B 31 -11.983 -2.272 -10.917 1.00 41.22 O ATOM 922 CB GLU B 31 -13.984 0.398 -9.619 1.00 55.23 C ATOM 923 CG GLU B 31 -15.420 0.857 -9.886 1.00 5.21 C ATOM 924 CD GLU B 31 -15.538 1.513 -11.264 1.00 34.31 C ATOM 925 OE1 GLU B 31 -14.967 1.008 -12.242 1.00 43.14 O ATOM 926 OE2 GLU B 31 -16.256 2.583 -11.298 1.00 2.44 O ATOM 0 H GLU B 31 -12.487 -1.830 -8.480 1.00 14.41 H new ATOM 0 HA GLU B 31 -14.779 -1.462 -10.288 1.00 64.42 H new ATOM 0 HB2 GLU B 31 -13.723 0.595 -8.579 1.00 55.23 H new ATOM 0 HB3 GLU B 31 -13.294 0.973 -10.236 1.00 55.23 H new ATOM 0 HG2 GLU B 31 -16.096 0.004 -9.826 1.00 5.21 H new ATOM 0 HG3 GLU B 31 -15.729 1.563 -9.115 1.00 5.21 H new ATOM 933 N ASP B 32 -12.772 -0.442 -11.987 1.00 45.44 N ATOM 934 CA ASP B 32 -11.822 -0.538 -13.084 1.00 12.23 C ATOM 935 C ASP B 32 -11.156 0.823 -13.295 1.00 51.45 C ATOM 936 O ASP B 32 -11.774 1.746 -13.826 1.00 21.42 O ATOM 937 CB ASP B 32 -12.522 -0.929 -14.386 1.00 42.22 C ATOM 938 CG ASP B 32 -12.797 -2.425 -14.549 1.00 32.52 C ATOM 939 OD1 ASP B 32 -12.448 -3.237 -13.679 1.00 21.13 O ATOM 940 OD2 ASP B 32 -13.404 -2.753 -15.639 1.00 4.03 O ATOM 0 H ASP B 32 -13.420 0.343 -12.051 1.00 45.44 H new ATOM 0 HA ASP B 32 -11.086 -1.300 -12.828 1.00 12.23 H new ATOM 0 HB2 ASP B 32 -13.469 -0.392 -14.447 1.00 42.22 H new ATOM 0 HB3 ASP B 32 -11.911 -0.594 -15.224 1.00 42.22 H new ATOM 945 N MET B 33 -9.904 0.906 -12.870 1.00 63.12 N ATOM 946 CA MET B 33 -9.147 2.139 -13.007 1.00 31.32 C ATOM 947 C MET B 33 -9.364 2.765 -14.386 1.00 12.51 C ATOM 948 O MET B 33 -9.780 2.085 -15.322 1.00 1.42 O ATOM 949 CB MET B 33 -7.658 1.849 -12.807 1.00 2.31 C ATOM 950 CG MET B 33 -7.069 2.738 -11.710 1.00 3.30 C ATOM 951 SD MET B 33 -5.401 3.211 -12.137 1.00 21.30 S ATOM 952 CE MET B 33 -4.729 1.616 -12.572 1.00 4.32 C ATOM 0 H MET B 33 -9.395 0.139 -12.430 1.00 63.12 H new ATOM 0 HA MET B 33 -9.494 2.842 -12.250 1.00 31.32 H new ATOM 0 HB2 MET B 33 -7.520 0.800 -12.543 1.00 2.31 H new ATOM 0 HB3 MET B 33 -7.123 2.016 -13.742 1.00 2.31 H new ATOM 0 HG2 MET B 33 -7.686 3.627 -11.581 1.00 3.30 H new ATOM 0 HG3 MET B 33 -7.073 2.206 -10.758 1.00 3.30 H new ATOM 0 HE1 MET B 33 -3.871 1.750 -13.231 1.00 4.32 H new ATOM 0 HE2 MET B 33 -4.414 1.095 -11.668 1.00 4.32 H new ATOM 0 HE3 MET B 33 -5.491 1.027 -13.083 1.00 4.32 H new ATOM 962 N VAL B 34 -9.071 4.055 -14.467 1.00 13.31 N ATOM 963 CA VAL B 34 -9.229 4.782 -15.715 1.00 51.22 C ATOM 964 C VAL B 34 -7.849 5.103 -16.292 1.00 72.50 C ATOM 965 O VAL B 34 -6.843 5.010 -15.590 1.00 2.21 O ATOM 966 CB VAL B 34 -10.088 6.028 -15.491 1.00 32.11 C ATOM 967 CG1 VAL B 34 -10.621 6.573 -16.818 1.00 2.04 C ATOM 968 CG2 VAL B 34 -11.233 5.737 -14.518 1.00 54.24 C ATOM 0 H VAL B 34 -8.725 4.615 -13.688 1.00 13.31 H new ATOM 0 HA VAL B 34 -9.754 4.170 -16.449 1.00 51.22 H new ATOM 0 HB VAL B 34 -9.455 6.795 -15.044 1.00 32.11 H new ATOM 0 HG11 VAL B 34 -11.228 7.458 -16.630 1.00 2.04 H new ATOM 0 HG12 VAL B 34 -9.785 6.837 -17.465 1.00 2.04 H new ATOM 0 HG13 VAL B 34 -11.230 5.812 -17.305 1.00 2.04 H new ATOM 0 HG21 VAL B 34 -11.828 6.639 -14.376 1.00 54.24 H new ATOM 0 HG22 VAL B 34 -11.864 4.946 -14.924 1.00 54.24 H new ATOM 0 HG23 VAL B 34 -10.824 5.418 -13.559 1.00 54.24 H new ATOM 978 N LYS B 35 -7.846 5.474 -17.564 1.00 22.13 N ATOM 979 CA LYS B 35 -6.606 5.809 -18.242 1.00 40.34 C ATOM 980 C LYS B 35 -6.592 7.306 -18.560 1.00 24.41 C ATOM 981 O LYS B 35 -7.634 7.894 -18.841 1.00 33.10 O ATOM 982 CB LYS B 35 -6.409 4.918 -19.471 1.00 12.41 C ATOM 983 CG LYS B 35 -6.990 5.576 -20.723 1.00 40.04 C ATOM 984 CD LYS B 35 -5.951 6.467 -21.407 1.00 11.40 C ATOM 985 CE LYS B 35 -4.880 5.625 -22.104 1.00 13.33 C ATOM 986 NZ LYS B 35 -3.688 6.450 -22.404 1.00 21.01 N ATOM 0 H LYS B 35 -8.683 5.550 -18.143 1.00 22.13 H new ATOM 0 HA LYS B 35 -5.752 5.612 -17.594 1.00 40.34 H new ATOM 0 HB2 LYS B 35 -5.346 4.724 -19.617 1.00 12.41 H new ATOM 0 HB3 LYS B 35 -6.889 3.954 -19.306 1.00 12.41 H new ATOM 0 HG2 LYS B 35 -7.329 4.808 -21.418 1.00 40.04 H new ATOM 0 HG3 LYS B 35 -7.863 6.170 -20.454 1.00 40.04 H new ATOM 0 HD2 LYS B 35 -6.443 7.112 -22.135 1.00 11.40 H new ATOM 0 HD3 LYS B 35 -5.483 7.119 -20.669 1.00 11.40 H new ATOM 0 HE2 LYS B 35 -4.598 4.785 -21.469 1.00 13.33 H new ATOM 0 HE3 LYS B 35 -5.281 5.206 -23.027 1.00 13.33 H new ATOM 0 HZ1 LYS B 35 -2.970 5.864 -22.877 1.00 21.01 H new ATOM 0 HZ2 LYS B 35 -3.959 7.237 -23.028 1.00 21.01 H new ATOM 0 HZ3 LYS B 35 -3.296 6.829 -21.518 1.00 21.01 H new ATOM 999 N GLN B 36 -5.398 7.879 -18.503 1.00 71.34 N ATOM 1000 CA GLN B 36 -5.234 9.296 -18.782 1.00 32.43 C ATOM 1001 C GLN B 36 -4.991 9.519 -20.275 1.00 64.23 C ATOM 1002 O GLN B 36 -4.167 10.348 -20.656 1.00 53.42 O ATOM 1003 CB GLN B 36 -4.100 9.891 -17.946 1.00 44.14 C ATOM 1004 CG GLN B 36 -4.080 9.288 -16.539 1.00 42.55 C ATOM 1005 CD GLN B 36 -5.136 9.944 -15.648 1.00 10.13 C ATOM 1006 OE1 GLN B 36 -4.921 10.984 -15.048 1.00 44.20 O ATOM 1007 NE2 GLN B 36 -6.287 9.279 -15.594 1.00 53.03 N ATOM 0 H GLN B 36 -4.536 7.388 -18.268 1.00 71.34 H new ATOM 0 HA GLN B 36 -6.154 9.810 -18.504 1.00 32.43 H new ATOM 0 HB2 GLN B 36 -3.145 9.706 -18.438 1.00 44.14 H new ATOM 0 HB3 GLN B 36 -4.221 10.972 -17.880 1.00 44.14 H new ATOM 0 HG2 GLN B 36 -4.263 8.215 -16.596 1.00 42.55 H new ATOM 0 HG3 GLN B 36 -3.093 9.420 -16.097 1.00 42.55 H new ATOM 0 HE21 GLN B 36 -6.401 8.413 -16.121 1.00 53.03 H new ATOM 0 HE22 GLN B 36 -7.055 9.635 -15.025 1.00 53.03 H new TER 1016 GLN B 36 HETATM 1017 ZN ZN A 37 -2.622 -9.854 -15.159 1.00 74.32 ZN HETATM 1018 ZN ZN B 37 -10.551 2.749 -7.980 1.00 53.24 ZN