USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 397 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 18 MET CE :methyl -109:sc= -3.13! (180deg=-3.45!) USER MOD Set 1.2: A 21 MET CE :methyl 172:sc= -3.38! (180deg=-3.31) USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.0809 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 120:sc= -0.558 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN :FLIP amide:sc= -0.209 F(o=-3.9!,f=-0.21) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= -0.0642 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 36 THR OG1 : rot 77:sc= 0.852 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc=-0.00294 X(o=-0.0029,f=-0.14) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 55:sc= -0.802 USER MOD Single : A 49 GLN : amide:sc= -0.0366 X(o=-0.037,f=-0.037) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.104 X(o=-0.1,f=-0.0086) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.925 -2.076 -8.935 1.00 42.22 N ATOM 2 CA GLY A 1 -5.249 -3.243 -9.471 1.00 74.10 C ATOM 3 C GLY A 1 -4.288 -3.864 -8.477 1.00 31.01 C ATOM 4 O GLY A 1 -4.107 -3.369 -7.364 1.00 60.41 O ATOM 0 H1 GLY A 1 -6.952 -2.239 -8.936 1.00 42.22 H new ATOM 0 H2 GLY A 1 -5.603 -1.905 -7.961 1.00 42.22 H new ATOM 0 H3 GLY A 1 -5.705 -1.247 -9.523 1.00 42.22 H new ATOM 0 HA2 GLY A 1 -5.991 -3.985 -9.767 1.00 74.10 H new ATOM 0 HA3 GLY A 1 -4.704 -2.961 -10.372 1.00 74.10 H new ATOM 8 N PRO A 2 -3.653 -4.976 -8.877 1.00 51.30 N ATOM 9 CA PRO A 2 -2.695 -5.690 -8.027 1.00 55.43 C ATOM 10 C PRO A 2 -1.403 -4.906 -7.826 1.00 20.15 C ATOM 11 O PRO A 2 -0.772 -4.470 -8.790 1.00 30.54 O ATOM 12 CB PRO A 2 -2.423 -6.979 -8.806 1.00 31.23 C ATOM 13 CG PRO A 2 -2.708 -6.631 -10.226 1.00 62.51 C ATOM 14 CD PRO A 2 -3.821 -5.621 -10.190 1.00 44.11 C ATOM 0 HA PRO A 2 -3.085 -5.857 -7.023 1.00 55.43 H new ATOM 0 HB2 PRO A 2 -1.392 -7.308 -8.678 1.00 31.23 H new ATOM 0 HB3 PRO A 2 -3.062 -7.792 -8.462 1.00 31.23 H new ATOM 0 HG2 PRO A 2 -1.823 -6.219 -10.712 1.00 62.51 H new ATOM 0 HG3 PRO A 2 -3.001 -7.515 -10.793 1.00 62.51 H new ATOM 0 HD2 PRO A 2 -3.738 -4.902 -11.005 1.00 44.11 H new ATOM 0 HD3 PRO A 2 -4.798 -6.096 -10.283 1.00 44.11 H new ATOM 22 N LEU A 3 -1.013 -4.730 -6.568 1.00 34.42 N ATOM 23 CA LEU A 3 0.206 -3.999 -6.239 1.00 75.34 C ATOM 24 C LEU A 3 1.098 -4.817 -5.312 1.00 21.52 C ATOM 25 O LEU A 3 1.271 -4.479 -4.142 1.00 14.04 O ATOM 26 CB LEU A 3 -0.140 -2.661 -5.584 1.00 20.01 C ATOM 27 CG LEU A 3 0.975 -1.615 -5.565 1.00 62.03 C ATOM 28 CD1 LEU A 3 0.660 -0.482 -6.529 1.00 44.15 C ATOM 29 CD2 LEU A 3 1.179 -1.078 -4.156 1.00 51.42 C ATOM 0 H LEU A 3 -1.524 -5.084 -5.759 1.00 34.42 H new ATOM 0 HA LEU A 3 0.750 -3.813 -7.165 1.00 75.34 H new ATOM 0 HB2 LEU A 3 -1.000 -2.237 -6.103 1.00 20.01 H new ATOM 0 HB3 LEU A 3 -0.450 -2.852 -4.556 1.00 20.01 H new ATOM 0 HG LEU A 3 1.900 -2.092 -5.887 1.00 62.03 H new ATOM 0 HD11 LEU A 3 1.464 0.253 -6.502 1.00 44.15 H new ATOM 0 HD12 LEU A 3 0.566 -0.880 -7.539 1.00 44.15 H new ATOM 0 HD13 LEU A 3 -0.276 -0.006 -6.237 1.00 44.15 H new ATOM 0 HD21 LEU A 3 1.976 -0.335 -4.162 1.00 51.42 H new ATOM 0 HD22 LEU A 3 0.256 -0.617 -3.805 1.00 51.42 H new ATOM 0 HD23 LEU A 3 1.451 -1.897 -3.490 1.00 51.42 H new ATOM 41 N GLY A 4 1.665 -5.896 -5.844 1.00 5.11 N ATOM 42 CA GLY A 4 2.535 -6.744 -5.050 1.00 63.45 C ATOM 43 C GLY A 4 3.209 -7.820 -5.879 1.00 43.11 C ATOM 44 O GLY A 4 2.914 -7.976 -7.064 1.00 23.31 O ATOM 0 H GLY A 4 1.537 -6.198 -6.810 1.00 5.11 H new ATOM 0 HA2 GLY A 4 3.296 -6.130 -4.569 1.00 63.45 H new ATOM 0 HA3 GLY A 4 1.954 -7.212 -4.255 1.00 63.45 H new ATOM 48 N SER A 5 4.119 -8.562 -5.256 1.00 34.44 N ATOM 49 CA SER A 5 4.841 -9.625 -5.945 1.00 33.31 C ATOM 50 C SER A 5 5.031 -10.833 -5.032 1.00 74.25 C ATOM 51 O SER A 5 6.146 -11.321 -4.856 1.00 24.11 O ATOM 52 CB SER A 5 6.201 -9.117 -6.427 1.00 31.10 C ATOM 53 OG SER A 5 6.942 -8.552 -5.359 1.00 72.23 O ATOM 0 H SER A 5 4.374 -8.446 -4.275 1.00 34.44 H new ATOM 0 HA SER A 5 4.249 -9.933 -6.807 1.00 33.31 H new ATOM 0 HB2 SER A 5 6.764 -9.939 -6.869 1.00 31.10 H new ATOM 0 HB3 SER A 5 6.058 -8.371 -7.209 1.00 31.10 H new ATOM 0 HG SER A 5 7.808 -8.236 -5.693 1.00 72.23 H new ATOM 59 N GLU A 6 3.932 -11.310 -4.456 1.00 12.24 N ATOM 60 CA GLU A 6 3.977 -12.460 -3.561 1.00 23.05 C ATOM 61 C GLU A 6 2.953 -13.512 -3.974 1.00 75.33 C ATOM 62 O GLU A 6 2.202 -13.321 -4.931 1.00 0.34 O ATOM 63 CB GLU A 6 3.720 -12.022 -2.117 1.00 41.32 C ATOM 64 CG GLU A 6 2.558 -11.054 -1.973 1.00 35.10 C ATOM 65 CD GLU A 6 2.007 -11.010 -0.561 1.00 1.23 C ATOM 66 OE1 GLU A 6 2.814 -11.059 0.391 1.00 32.45 O ATOM 67 OE2 GLU A 6 0.771 -10.926 -0.408 1.00 32.15 O ATOM 0 H GLU A 6 3.000 -10.918 -4.593 1.00 12.24 H new ATOM 0 HA GLU A 6 4.972 -12.900 -3.628 1.00 23.05 H new ATOM 0 HB2 GLU A 6 3.525 -12.904 -1.508 1.00 41.32 H new ATOM 0 HB3 GLU A 6 4.622 -11.555 -1.722 1.00 41.32 H new ATOM 0 HG2 GLU A 6 2.884 -10.055 -2.263 1.00 35.10 H new ATOM 0 HG3 GLU A 6 1.763 -11.342 -2.661 1.00 35.10 H new ATOM 74 N ALA A 7 2.928 -14.624 -3.247 1.00 63.30 N ATOM 75 CA ALA A 7 1.996 -15.706 -3.537 1.00 32.52 C ATOM 76 C ALA A 7 1.540 -16.396 -2.255 1.00 62.44 C ATOM 77 O ALA A 7 1.799 -15.913 -1.153 1.00 52.11 O ATOM 78 CB ALA A 7 2.633 -16.713 -4.483 1.00 22.43 C ATOM 0 H ALA A 7 3.543 -14.799 -2.452 1.00 63.30 H new ATOM 0 HA ALA A 7 1.118 -15.276 -4.020 1.00 32.52 H new ATOM 0 HB1 ALA A 7 1.925 -17.515 -4.691 1.00 22.43 H new ATOM 0 HB2 ALA A 7 2.902 -16.217 -5.415 1.00 22.43 H new ATOM 0 HB3 ALA A 7 3.529 -17.129 -4.022 1.00 22.43 H new ATOM 84 N ASP A 8 0.861 -17.528 -2.408 1.00 14.43 N ATOM 85 CA ASP A 8 0.369 -18.284 -1.262 1.00 61.42 C ATOM 86 C ASP A 8 0.700 -19.767 -1.408 1.00 12.53 C ATOM 87 O ASP A 8 0.966 -20.264 -2.502 1.00 51.21 O ATOM 88 CB ASP A 8 -1.142 -18.099 -1.111 1.00 44.44 C ATOM 89 CG ASP A 8 -1.507 -17.307 0.129 1.00 44.00 C ATOM 90 OD1 ASP A 8 -0.992 -16.180 0.287 1.00 52.35 O ATOM 91 OD2 ASP A 8 -2.307 -17.814 0.942 1.00 72.32 O ATOM 0 H ASP A 8 0.639 -17.942 -3.313 1.00 14.43 H new ATOM 0 HA ASP A 8 0.864 -17.905 -0.368 1.00 61.42 H new ATOM 0 HB2 ASP A 8 -1.533 -17.590 -1.992 1.00 44.44 H new ATOM 0 HB3 ASP A 8 -1.622 -19.077 -1.069 1.00 44.44 H new ATOM 96 N PRO A 9 0.684 -20.490 -0.278 1.00 63.24 N ATOM 97 CA PRO A 9 0.981 -21.926 -0.254 1.00 51.40 C ATOM 98 C PRO A 9 -0.114 -22.755 -0.917 1.00 21.05 C ATOM 99 O PRO A 9 0.161 -23.785 -1.532 1.00 45.13 O ATOM 100 CB PRO A 9 1.063 -22.245 1.241 1.00 65.44 C ATOM 101 CG PRO A 9 0.225 -21.204 1.898 1.00 44.42 C ATOM 102 CD PRO A 9 0.376 -19.963 1.061 1.00 34.04 C ATOM 0 HA PRO A 9 1.891 -22.164 -0.805 1.00 51.40 H new ATOM 0 HB2 PRO A 9 0.688 -23.246 1.453 1.00 65.44 H new ATOM 0 HB3 PRO A 9 2.092 -22.208 1.598 1.00 65.44 H new ATOM 0 HG2 PRO A 9 -0.818 -21.517 1.948 1.00 44.42 H new ATOM 0 HG3 PRO A 9 0.554 -21.027 2.922 1.00 44.42 H new ATOM 0 HD2 PRO A 9 -0.537 -19.367 1.058 1.00 34.04 H new ATOM 0 HD3 PRO A 9 1.175 -19.322 1.434 1.00 34.04 H new ATOM 110 N ARG A 10 -1.356 -22.300 -0.786 1.00 44.54 N ATOM 111 CA ARG A 10 -2.492 -23.000 -1.372 1.00 62.52 C ATOM 112 C ARG A 10 -2.769 -22.499 -2.786 1.00 74.45 C ATOM 113 O ARG A 10 -3.806 -22.810 -3.375 1.00 30.54 O ATOM 114 CB ARG A 10 -3.736 -22.817 -0.501 1.00 41.41 C ATOM 115 CG ARG A 10 -3.630 -23.483 0.861 1.00 43.11 C ATOM 116 CD ARG A 10 -3.966 -22.513 1.983 1.00 32.41 C ATOM 117 NE ARG A 10 -4.350 -23.207 3.209 1.00 23.54 N ATOM 118 CZ ARG A 10 -4.933 -22.608 4.241 1.00 32.13 C ATOM 119 NH1 ARG A 10 -5.199 -21.310 4.194 1.00 35.15 N ATOM 120 NH2 ARG A 10 -5.252 -23.308 5.323 1.00 52.42 N ATOM 0 H ARG A 10 -1.601 -21.449 -0.279 1.00 44.54 H new ATOM 0 HA ARG A 10 -2.246 -24.061 -1.423 1.00 62.52 H new ATOM 0 HB2 ARG A 10 -3.918 -21.751 -0.362 1.00 41.41 H new ATOM 0 HB3 ARG A 10 -4.600 -23.222 -1.027 1.00 41.41 H new ATOM 0 HG2 ARG A 10 -4.305 -24.338 0.903 1.00 43.11 H new ATOM 0 HG3 ARG A 10 -2.620 -23.868 1.001 1.00 43.11 H new ATOM 0 HD2 ARG A 10 -3.104 -21.876 2.182 1.00 32.41 H new ATOM 0 HD3 ARG A 10 -4.779 -21.860 1.666 1.00 32.41 H new ATOM 0 HE ARG A 10 -4.160 -24.207 3.277 1.00 23.54 H new ATOM 0 HH11 ARG A 10 -4.956 -20.769 3.364 1.00 35.15 H new ATOM 0 HH12 ARG A 10 -5.647 -20.852 4.988 1.00 35.15 H new ATOM 0 HH21 ARG A 10 -5.049 -24.307 5.362 1.00 52.42 H new ATOM 0 HH22 ARG A 10 -5.700 -22.847 6.115 1.00 52.42 H new ATOM 134 N LEU A 11 -1.837 -21.722 -3.327 1.00 33.14 N ATOM 135 CA LEU A 11 -1.981 -21.177 -4.672 1.00 52.01 C ATOM 136 C LEU A 11 -0.845 -21.648 -5.575 1.00 13.23 C ATOM 137 O LEU A 11 -1.079 -22.113 -6.691 1.00 25.14 O ATOM 138 CB LEU A 11 -2.009 -19.648 -4.624 1.00 34.30 C ATOM 139 CG LEU A 11 -1.942 -18.933 -5.974 1.00 11.03 C ATOM 140 CD1 LEU A 11 -3.246 -19.109 -6.737 1.00 22.13 C ATOM 141 CD2 LEU A 11 -1.631 -17.456 -5.780 1.00 21.14 C ATOM 0 H LEU A 11 -0.973 -21.455 -2.854 1.00 33.14 H new ATOM 0 HA LEU A 11 -2.923 -21.539 -5.085 1.00 52.01 H new ATOM 0 HB2 LEU A 11 -2.922 -19.337 -4.116 1.00 34.30 H new ATOM 0 HB3 LEU A 11 -1.172 -19.308 -4.013 1.00 34.30 H new ATOM 0 HG LEU A 11 -1.139 -19.379 -6.560 1.00 11.03 H new ATOM 0 HD11 LEU A 11 -3.179 -18.593 -7.695 1.00 22.13 H new ATOM 0 HD12 LEU A 11 -3.427 -20.170 -6.908 1.00 22.13 H new ATOM 0 HD13 LEU A 11 -4.067 -18.690 -6.156 1.00 22.13 H new ATOM 0 HD21 LEU A 11 -1.587 -16.963 -6.751 1.00 21.14 H new ATOM 0 HD22 LEU A 11 -2.412 -16.996 -5.174 1.00 21.14 H new ATOM 0 HD23 LEU A 11 -0.671 -17.350 -5.275 1.00 21.14 H new ATOM 153 N ILE A 12 0.383 -21.526 -5.083 1.00 42.34 N ATOM 154 CA ILE A 12 1.555 -21.942 -5.844 1.00 54.15 C ATOM 155 C ILE A 12 1.411 -23.380 -6.331 1.00 64.01 C ATOM 156 O ILE A 12 1.938 -23.745 -7.381 1.00 65.13 O ATOM 157 CB ILE A 12 2.842 -21.821 -5.008 1.00 12.33 C ATOM 158 CG1 ILE A 12 2.765 -22.730 -3.780 1.00 24.33 C ATOM 159 CG2 ILE A 12 3.068 -20.375 -4.590 1.00 32.42 C ATOM 160 CD1 ILE A 12 3.513 -24.035 -3.947 1.00 14.13 C ATOM 0 H ILE A 12 0.592 -21.143 -4.161 1.00 42.34 H new ATOM 0 HA ILE A 12 1.627 -21.275 -6.703 1.00 54.15 H new ATOM 0 HB ILE A 12 3.687 -22.138 -5.620 1.00 12.33 H new ATOM 0 HG12 ILE A 12 3.167 -22.198 -2.918 1.00 24.33 H new ATOM 0 HG13 ILE A 12 1.719 -22.945 -3.562 1.00 24.33 H new ATOM 0 HG21 ILE A 12 3.982 -20.305 -4.000 1.00 32.42 H new ATOM 0 HG22 ILE A 12 3.161 -19.750 -5.478 1.00 32.42 H new ATOM 0 HG23 ILE A 12 2.223 -20.033 -3.993 1.00 32.42 H new ATOM 0 HD11 ILE A 12 3.416 -24.629 -3.038 1.00 14.13 H new ATOM 0 HD12 ILE A 12 3.096 -24.588 -4.789 1.00 14.13 H new ATOM 0 HD13 ILE A 12 4.567 -23.829 -4.134 1.00 14.13 H new ATOM 172 N GLU A 13 0.693 -24.191 -5.561 1.00 24.15 N ATOM 173 CA GLU A 13 0.480 -25.590 -5.914 1.00 42.54 C ATOM 174 C GLU A 13 -0.078 -25.714 -7.329 1.00 53.31 C ATOM 175 O GLU A 13 0.274 -26.633 -8.069 1.00 12.45 O ATOM 176 CB GLU A 13 -0.474 -26.251 -4.918 1.00 22.22 C ATOM 177 CG GLU A 13 -1.700 -25.412 -4.599 1.00 44.33 C ATOM 178 CD GLU A 13 -2.861 -26.244 -4.093 1.00 33.22 C ATOM 179 OE1 GLU A 13 -3.193 -27.258 -4.742 1.00 52.20 O ATOM 180 OE2 GLU A 13 -3.438 -25.881 -3.046 1.00 74.52 O ATOM 0 H GLU A 13 0.249 -23.904 -4.689 1.00 24.15 H new ATOM 0 HA GLU A 13 1.443 -26.099 -5.875 1.00 42.54 H new ATOM 0 HB2 GLU A 13 -0.796 -27.212 -5.320 1.00 22.22 H new ATOM 0 HB3 GLU A 13 0.065 -26.457 -3.993 1.00 22.22 H new ATOM 0 HG2 GLU A 13 -1.439 -24.665 -3.849 1.00 44.33 H new ATOM 0 HG3 GLU A 13 -2.008 -24.871 -5.494 1.00 44.33 H new ATOM 187 N SER A 14 -0.952 -24.782 -7.698 1.00 63.11 N ATOM 188 CA SER A 14 -1.563 -24.789 -9.022 1.00 0.21 C ATOM 189 C SER A 14 -0.598 -24.241 -10.069 1.00 23.12 C ATOM 190 O SER A 14 -0.369 -24.865 -11.106 1.00 52.43 O ATOM 191 CB SER A 14 -2.850 -23.962 -9.017 1.00 33.13 C ATOM 192 OG SER A 14 -3.974 -24.771 -8.716 1.00 14.22 O ATOM 0 H SER A 14 -1.252 -24.013 -7.099 1.00 63.11 H new ATOM 0 HA SER A 14 -1.803 -25.821 -9.279 1.00 0.21 H new ATOM 0 HB2 SER A 14 -2.768 -23.160 -8.283 1.00 33.13 H new ATOM 0 HB3 SER A 14 -2.987 -23.491 -9.990 1.00 33.13 H new ATOM 0 HG SER A 14 -4.408 -24.439 -7.902 1.00 14.22 H new ATOM 198 N LEU A 15 -0.034 -23.071 -9.789 1.00 64.34 N ATOM 199 CA LEU A 15 0.908 -22.438 -10.706 1.00 11.50 C ATOM 200 C LEU A 15 1.990 -23.421 -11.141 1.00 2.44 C ATOM 201 O LEU A 15 2.376 -23.458 -12.309 1.00 1.21 O ATOM 202 CB LEU A 15 1.548 -21.215 -10.046 1.00 23.21 C ATOM 203 CG LEU A 15 0.632 -20.010 -9.833 1.00 34.14 C ATOM 204 CD1 LEU A 15 0.694 -19.541 -8.387 1.00 73.42 C ATOM 205 CD2 LEU A 15 1.009 -18.879 -10.779 1.00 34.34 C ATOM 0 H LEU A 15 -0.212 -22.542 -8.935 1.00 64.34 H new ATOM 0 HA LEU A 15 0.357 -22.119 -11.591 1.00 11.50 H new ATOM 0 HB2 LEU A 15 1.948 -21.517 -9.078 1.00 23.21 H new ATOM 0 HB3 LEU A 15 2.394 -20.899 -10.656 1.00 23.21 H new ATOM 0 HG LEU A 15 -0.392 -20.313 -10.052 1.00 34.14 H new ATOM 0 HD11 LEU A 15 0.036 -18.683 -8.254 1.00 73.42 H new ATOM 0 HD12 LEU A 15 0.374 -20.349 -7.729 1.00 73.42 H new ATOM 0 HD13 LEU A 15 1.717 -19.255 -8.141 1.00 73.42 H new ATOM 0 HD21 LEU A 15 0.346 -18.030 -10.613 1.00 34.34 H new ATOM 0 HD22 LEU A 15 2.040 -18.577 -10.593 1.00 34.34 H new ATOM 0 HD23 LEU A 15 0.912 -19.219 -11.810 1.00 34.34 H new ATOM 217 N SER A 16 2.475 -24.217 -10.193 1.00 15.33 N ATOM 218 CA SER A 16 3.514 -25.199 -10.477 1.00 74.42 C ATOM 219 C SER A 16 3.123 -26.075 -11.664 1.00 33.34 C ATOM 220 O SER A 16 3.981 -26.556 -12.403 1.00 4.41 O ATOM 221 CB SER A 16 3.770 -26.072 -9.247 1.00 62.11 C ATOM 222 OG SER A 16 4.863 -25.579 -8.491 1.00 72.41 O ATOM 0 H SER A 16 2.165 -24.201 -9.222 1.00 15.33 H new ATOM 0 HA SER A 16 4.428 -24.662 -10.729 1.00 74.42 H new ATOM 0 HB2 SER A 16 2.876 -26.100 -8.624 1.00 62.11 H new ATOM 0 HB3 SER A 16 3.972 -27.096 -9.560 1.00 62.11 H new ATOM 0 HG SER A 16 5.005 -26.153 -7.709 1.00 72.41 H new ATOM 228 N GLN A 17 1.821 -26.278 -11.838 1.00 32.01 N ATOM 229 CA GLN A 17 1.316 -27.097 -12.934 1.00 14.43 C ATOM 230 C GLN A 17 1.145 -26.265 -14.201 1.00 3.02 C ATOM 231 O GLN A 17 1.422 -26.734 -15.304 1.00 42.03 O ATOM 232 CB GLN A 17 -0.019 -27.737 -12.547 1.00 25.22 C ATOM 233 CG GLN A 17 -0.038 -28.294 -11.132 1.00 74.25 C ATOM 234 CD GLN A 17 -0.455 -29.751 -11.085 1.00 25.21 C ATOM 235 OE1 GLN A 17 -1.496 -30.094 -11.834 1.00 3.22 O flip ATOM 236 NE2 GLN A 17 0.153 -30.560 -10.383 1.00 32.35 N flip ATOM 0 H GLN A 17 1.097 -25.887 -11.235 1.00 32.01 H new ATOM 0 HA GLN A 17 2.045 -27.883 -13.132 1.00 14.43 H new ATOM 0 HB2 GLN A 17 -0.811 -26.995 -12.647 1.00 25.22 H new ATOM 0 HB3 GLN A 17 -0.244 -28.541 -13.248 1.00 25.22 H new ATOM 0 HG2 GLN A 17 0.953 -28.189 -10.691 1.00 74.25 H new ATOM 0 HG3 GLN A 17 -0.722 -27.704 -10.522 1.00 74.25 H new ATOM 0 HE21 GLN A 17 0.948 -30.253 -9.823 1.00 32.35 H new ATOM 0 HE22 GLN A 17 -0.139 -31.537 -10.362 1.00 32.35 H new ATOM 245 N MET A 18 0.688 -25.028 -14.034 1.00 33.40 N ATOM 246 CA MET A 18 0.481 -24.131 -15.165 1.00 64.30 C ATOM 247 C MET A 18 1.813 -23.739 -15.797 1.00 52.34 C ATOM 248 O MET A 18 2.050 -23.995 -16.979 1.00 2.04 O ATOM 249 CB MET A 18 -0.274 -22.878 -14.718 1.00 44.12 C ATOM 250 CG MET A 18 -1.531 -23.179 -13.918 1.00 43.53 C ATOM 251 SD MET A 18 -3.039 -22.746 -14.806 1.00 51.04 S ATOM 252 CE MET A 18 -2.718 -23.492 -16.403 1.00 3.22 C ATOM 0 H MET A 18 0.454 -24.624 -13.127 1.00 33.40 H new ATOM 0 HA MET A 18 -0.114 -24.657 -15.911 1.00 64.30 H new ATOM 0 HB2 MET A 18 0.391 -22.259 -14.116 1.00 44.12 H new ATOM 0 HB3 MET A 18 -0.544 -22.293 -15.597 1.00 44.12 H new ATOM 0 HG2 MET A 18 -1.553 -24.240 -13.668 1.00 43.53 H new ATOM 0 HG3 MET A 18 -1.498 -22.631 -12.977 1.00 43.53 H new ATOM 0 HE1 MET A 18 -2.535 -22.710 -17.140 1.00 3.22 H new ATOM 0 HE2 MET A 18 -1.843 -24.138 -16.334 1.00 3.22 H new ATOM 0 HE3 MET A 18 -3.581 -24.083 -16.709 1.00 3.22 H new ATOM 262 N LEU A 19 2.678 -23.116 -15.005 1.00 41.30 N ATOM 263 CA LEU A 19 3.986 -22.687 -15.488 1.00 24.32 C ATOM 264 C LEU A 19 4.761 -23.862 -16.077 1.00 55.25 C ATOM 265 O LEU A 19 5.555 -23.693 -17.002 1.00 44.30 O ATOM 266 CB LEU A 19 4.789 -22.052 -14.351 1.00 34.34 C ATOM 267 CG LEU A 19 4.056 -20.999 -13.519 1.00 41.54 C ATOM 268 CD1 LEU A 19 4.949 -20.487 -12.399 1.00 53.14 C ATOM 269 CD2 LEU A 19 3.594 -19.849 -14.403 1.00 1.11 C ATOM 0 H LEU A 19 2.498 -22.896 -14.025 1.00 41.30 H new ATOM 0 HA LEU A 19 3.831 -21.947 -16.273 1.00 24.32 H new ATOM 0 HB2 LEU A 19 5.125 -22.845 -13.683 1.00 34.34 H new ATOM 0 HB3 LEU A 19 5.682 -21.594 -14.776 1.00 34.34 H new ATOM 0 HG LEU A 19 3.177 -21.464 -13.072 1.00 41.54 H new ATOM 0 HD11 LEU A 19 4.411 -19.739 -11.818 1.00 53.14 H new ATOM 0 HD12 LEU A 19 5.231 -21.316 -11.750 1.00 53.14 H new ATOM 0 HD13 LEU A 19 5.846 -20.039 -12.825 1.00 53.14 H new ATOM 0 HD21 LEU A 19 3.074 -19.109 -13.795 1.00 1.11 H new ATOM 0 HD22 LEU A 19 4.458 -19.386 -14.879 1.00 1.11 H new ATOM 0 HD23 LEU A 19 2.918 -20.228 -15.169 1.00 1.11 H new ATOM 281 N SER A 20 4.521 -25.053 -15.538 1.00 1.44 N ATOM 282 CA SER A 20 5.197 -26.256 -16.009 1.00 40.52 C ATOM 283 C SER A 20 4.510 -26.813 -17.252 1.00 73.00 C ATOM 284 O SER A 20 5.138 -27.474 -18.078 1.00 42.23 O ATOM 285 CB SER A 20 5.223 -27.317 -14.908 1.00 12.35 C ATOM 286 OG SER A 20 5.991 -28.441 -15.300 1.00 42.20 O ATOM 0 H SER A 20 3.863 -25.211 -14.775 1.00 1.44 H new ATOM 0 HA SER A 20 6.221 -25.989 -16.270 1.00 40.52 H new ATOM 0 HB2 SER A 20 5.639 -26.889 -13.996 1.00 12.35 H new ATOM 0 HB3 SER A 20 4.205 -27.631 -14.677 1.00 12.35 H new ATOM 0 HG SER A 20 5.993 -29.104 -14.578 1.00 42.20 H new ATOM 292 N MET A 21 3.215 -26.541 -17.376 1.00 72.24 N ATOM 293 CA MET A 21 2.441 -27.014 -18.519 1.00 23.23 C ATOM 294 C MET A 21 2.718 -26.162 -19.753 1.00 64.33 C ATOM 295 O MET A 21 2.611 -26.637 -20.883 1.00 43.53 O ATOM 296 CB MET A 21 0.946 -26.992 -18.194 1.00 44.41 C ATOM 297 CG MET A 21 0.418 -28.317 -17.670 1.00 23.12 C ATOM 298 SD MET A 21 -1.375 -28.324 -17.480 1.00 62.21 S ATOM 299 CE MET A 21 -1.585 -27.087 -16.202 1.00 41.01 C ATOM 0 H MET A 21 2.680 -25.996 -16.700 1.00 72.24 H new ATOM 0 HA MET A 21 2.744 -28.039 -18.732 1.00 23.23 H new ATOM 0 HB2 MET A 21 0.755 -26.216 -17.453 1.00 44.41 H new ATOM 0 HB3 MET A 21 0.391 -26.719 -19.092 1.00 44.41 H new ATOM 0 HG2 MET A 21 0.710 -29.115 -18.352 1.00 23.12 H new ATOM 0 HG3 MET A 21 0.882 -28.534 -16.708 1.00 23.12 H new ATOM 0 HE1 MET A 21 -2.646 -26.874 -16.073 1.00 41.01 H new ATOM 0 HE2 MET A 21 -1.173 -27.459 -15.264 1.00 41.01 H new ATOM 0 HE3 MET A 21 -1.064 -26.174 -16.490 1.00 41.01 H new ATOM 309 N GLY A 22 3.075 -24.901 -19.529 1.00 21.11 N ATOM 310 CA GLY A 22 3.361 -24.004 -20.633 1.00 4.42 C ATOM 311 C GLY A 22 2.689 -22.654 -20.472 1.00 62.54 C ATOM 312 O GLY A 22 2.171 -22.092 -21.437 1.00 60.34 O ATOM 0 H GLY A 22 3.171 -24.485 -18.603 1.00 21.11 H new ATOM 0 HA2 GLY A 22 4.439 -23.863 -20.713 1.00 4.42 H new ATOM 0 HA3 GLY A 22 3.030 -24.462 -21.565 1.00 4.42 H new ATOM 316 N PHE A 23 2.696 -22.134 -19.250 1.00 14.41 N ATOM 317 CA PHE A 23 2.079 -20.843 -18.966 1.00 4.14 C ATOM 318 C PHE A 23 3.028 -19.950 -18.171 1.00 64.32 C ATOM 319 O PHE A 23 4.154 -20.342 -17.863 1.00 40.20 O ATOM 320 CB PHE A 23 0.775 -21.037 -18.190 1.00 55.54 C ATOM 321 CG PHE A 23 -0.297 -21.727 -18.984 1.00 74.30 C ATOM 322 CD1 PHE A 23 -1.128 -21.006 -19.826 1.00 51.20 C ATOM 323 CD2 PHE A 23 -0.474 -23.098 -18.888 1.00 35.14 C ATOM 324 CE1 PHE A 23 -2.115 -21.638 -20.558 1.00 73.41 C ATOM 325 CE2 PHE A 23 -1.460 -23.736 -19.617 1.00 65.24 C ATOM 326 CZ PHE A 23 -2.282 -23.005 -20.453 1.00 22.33 C ATOM 0 H PHE A 23 3.122 -22.586 -18.441 1.00 14.41 H new ATOM 0 HA PHE A 23 1.860 -20.356 -19.916 1.00 4.14 H new ATOM 0 HB2 PHE A 23 0.980 -21.617 -17.290 1.00 55.54 H new ATOM 0 HB3 PHE A 23 0.406 -20.064 -17.865 1.00 55.54 H new ATOM 0 HD1 PHE A 23 -1.003 -19.937 -19.911 1.00 51.20 H new ATOM 0 HD2 PHE A 23 0.166 -23.675 -18.236 1.00 35.14 H new ATOM 0 HE1 PHE A 23 -2.755 -21.064 -21.211 1.00 73.41 H new ATOM 0 HE2 PHE A 23 -1.588 -24.805 -19.533 1.00 65.24 H new ATOM 0 HZ PHE A 23 -3.053 -23.501 -21.023 1.00 22.33 H new ATOM 336 N SER A 24 2.565 -18.748 -17.843 1.00 64.25 N ATOM 337 CA SER A 24 3.374 -17.797 -17.089 1.00 35.41 C ATOM 338 C SER A 24 2.497 -16.941 -16.179 1.00 64.53 C ATOM 339 O SER A 24 1.310 -17.217 -16.003 1.00 65.25 O ATOM 340 CB SER A 24 4.167 -16.902 -18.042 1.00 4.43 C ATOM 341 OG SER A 24 4.611 -17.629 -19.174 1.00 42.53 O ATOM 0 H SER A 24 1.634 -18.410 -18.087 1.00 64.25 H new ATOM 0 HA SER A 24 4.071 -18.361 -16.468 1.00 35.41 H new ATOM 0 HB2 SER A 24 3.545 -16.067 -18.364 1.00 4.43 H new ATOM 0 HB3 SER A 24 5.024 -16.478 -17.519 1.00 4.43 H new ATOM 0 HG SER A 24 5.114 -17.034 -19.768 1.00 42.53 H new ATOM 347 N ASP A 25 3.092 -15.902 -15.604 1.00 35.02 N ATOM 348 CA ASP A 25 2.366 -15.004 -14.713 1.00 4.23 C ATOM 349 C ASP A 25 2.622 -13.547 -15.085 1.00 14.54 C ATOM 350 O ASP A 25 2.632 -12.669 -14.222 1.00 71.10 O ATOM 351 CB ASP A 25 2.776 -15.252 -13.260 1.00 41.31 C ATOM 352 CG ASP A 25 4.275 -15.414 -13.101 1.00 0.10 C ATOM 353 OD1 ASP A 25 4.966 -14.391 -12.912 1.00 42.34 O ATOM 354 OD2 ASP A 25 4.757 -16.564 -13.164 1.00 51.00 O ATOM 0 H ASP A 25 4.074 -15.661 -15.738 1.00 35.02 H new ATOM 0 HA ASP A 25 1.300 -15.206 -14.821 1.00 4.23 H new ATOM 0 HB2 ASP A 25 2.436 -14.421 -12.643 1.00 41.31 H new ATOM 0 HB3 ASP A 25 2.276 -16.148 -12.892 1.00 41.31 H new ATOM 359 N GLU A 26 2.828 -13.297 -16.374 1.00 61.50 N ATOM 360 CA GLU A 26 3.085 -11.946 -16.859 1.00 24.52 C ATOM 361 C GLU A 26 2.012 -10.979 -16.369 1.00 11.04 C ATOM 362 O GLU A 26 0.837 -11.113 -16.709 1.00 64.42 O ATOM 363 CB GLU A 26 3.141 -11.931 -18.388 1.00 23.42 C ATOM 364 CG GLU A 26 4.280 -12.757 -18.963 1.00 52.24 C ATOM 365 CD GLU A 26 5.290 -11.913 -19.716 1.00 2.45 C ATOM 366 OE1 GLU A 26 5.003 -11.530 -20.869 1.00 22.01 O ATOM 367 OE2 GLU A 26 6.368 -11.634 -19.150 1.00 23.43 O ATOM 0 H GLU A 26 2.822 -14.012 -17.101 1.00 61.50 H new ATOM 0 HA GLU A 26 4.048 -11.623 -16.464 1.00 24.52 H new ATOM 0 HB2 GLU A 26 2.196 -12.306 -18.782 1.00 23.42 H new ATOM 0 HB3 GLU A 26 3.242 -10.901 -18.730 1.00 23.42 H new ATOM 0 HG2 GLU A 26 4.785 -13.286 -18.154 1.00 52.24 H new ATOM 0 HG3 GLU A 26 3.873 -13.514 -19.633 1.00 52.24 H new ATOM 374 N GLY A 27 2.425 -10.003 -15.565 1.00 70.15 N ATOM 375 CA GLY A 27 1.487 -9.028 -15.040 1.00 45.44 C ATOM 376 C GLY A 27 0.770 -9.522 -13.800 1.00 74.45 C ATOM 377 O GLY A 27 0.771 -8.856 -12.766 1.00 63.22 O ATOM 0 H GLY A 27 3.392 -9.871 -15.268 1.00 70.15 H new ATOM 0 HA2 GLY A 27 2.019 -8.106 -14.805 1.00 45.44 H new ATOM 0 HA3 GLY A 27 0.753 -8.785 -15.808 1.00 45.44 H new ATOM 381 N GLY A 28 0.152 -10.695 -13.904 1.00 71.43 N ATOM 382 CA GLY A 28 -0.566 -11.258 -12.776 1.00 14.13 C ATOM 383 C GLY A 28 -1.896 -11.865 -13.179 1.00 2.43 C ATOM 384 O GLY A 28 -2.929 -11.565 -12.581 1.00 10.25 O ATOM 0 H GLY A 28 0.136 -11.265 -14.750 1.00 71.43 H new ATOM 0 HA2 GLY A 28 0.050 -12.022 -12.302 1.00 14.13 H new ATOM 0 HA3 GLY A 28 -0.736 -10.479 -12.032 1.00 14.13 H new ATOM 388 N TRP A 29 -1.870 -12.718 -14.196 1.00 34.12 N ATOM 389 CA TRP A 29 -3.084 -13.367 -14.679 1.00 41.02 C ATOM 390 C TRP A 29 -3.227 -14.765 -14.087 1.00 1.53 C ATOM 391 O TRP A 29 -4.319 -15.334 -14.070 1.00 11.20 O ATOM 392 CB TRP A 29 -3.071 -13.446 -16.207 1.00 23.13 C ATOM 393 CG TRP A 29 -2.155 -14.507 -16.739 1.00 10.24 C ATOM 394 CD1 TRP A 29 -0.819 -14.384 -16.993 1.00 40.33 C ATOM 395 CD2 TRP A 29 -2.509 -15.851 -17.083 1.00 0.33 C ATOM 396 NE1 TRP A 29 -0.321 -15.570 -17.475 1.00 20.30 N ATOM 397 CE2 TRP A 29 -1.337 -16.486 -17.538 1.00 74.43 C ATOM 398 CE3 TRP A 29 -3.701 -16.580 -17.048 1.00 43.42 C ATOM 399 CZ2 TRP A 29 -1.326 -17.814 -17.957 1.00 20.45 C ATOM 400 CZ3 TRP A 29 -3.688 -17.897 -17.464 1.00 22.41 C ATOM 401 CH2 TRP A 29 -2.507 -18.504 -17.912 1.00 60.14 C ATOM 0 H TRP A 29 -1.023 -12.977 -14.702 1.00 34.12 H new ATOM 0 HA TRP A 29 -3.937 -12.769 -14.360 1.00 41.02 H new ATOM 0 HB2 TRP A 29 -4.083 -13.638 -16.562 1.00 23.13 H new ATOM 0 HB3 TRP A 29 -2.770 -12.480 -16.611 1.00 23.13 H new ATOM 0 HD1 TRP A 29 -0.239 -13.486 -16.838 1.00 40.33 H new ATOM 0 HE1 TRP A 29 0.648 -15.741 -17.743 1.00 20.30 H new ATOM 0 HE3 TRP A 29 -4.616 -16.122 -16.702 1.00 43.42 H new ATOM 0 HZ2 TRP A 29 -0.418 -18.283 -18.305 1.00 20.45 H new ATOM 0 HZ3 TRP A 29 -4.604 -18.469 -17.444 1.00 22.41 H new ATOM 0 HH2 TRP A 29 -2.529 -19.537 -18.228 1.00 60.14 H new ATOM 412 N LEU A 30 -2.119 -15.313 -13.601 1.00 4.40 N ATOM 413 CA LEU A 30 -2.121 -16.645 -13.007 1.00 0.15 C ATOM 414 C LEU A 30 -2.053 -16.562 -11.485 1.00 21.30 C ATOM 415 O LEU A 30 -1.999 -17.583 -10.798 1.00 64.22 O ATOM 416 CB LEU A 30 -0.943 -17.464 -13.537 1.00 51.24 C ATOM 417 CG LEU A 30 -1.056 -18.981 -13.382 1.00 51.32 C ATOM 418 CD1 LEU A 30 -2.234 -19.513 -14.183 1.00 13.00 C ATOM 419 CD2 LEU A 30 0.235 -19.659 -13.815 1.00 45.14 C ATOM 0 H LEU A 30 -1.207 -14.855 -13.607 1.00 4.40 H new ATOM 0 HA LEU A 30 -3.052 -17.138 -13.285 1.00 0.15 H new ATOM 0 HB2 LEU A 30 -0.815 -17.236 -14.595 1.00 51.24 H new ATOM 0 HB3 LEU A 30 -0.038 -17.133 -13.027 1.00 51.24 H new ATOM 0 HG LEU A 30 -1.227 -19.208 -12.330 1.00 51.32 H new ATOM 0 HD11 LEU A 30 -2.299 -20.594 -14.061 1.00 13.00 H new ATOM 0 HD12 LEU A 30 -3.155 -19.052 -13.826 1.00 13.00 H new ATOM 0 HD13 LEU A 30 -2.094 -19.275 -15.237 1.00 13.00 H new ATOM 0 HD21 LEU A 30 0.136 -20.738 -13.698 1.00 45.14 H new ATOM 0 HD22 LEU A 30 0.436 -19.424 -14.860 1.00 45.14 H new ATOM 0 HD23 LEU A 30 1.059 -19.301 -13.198 1.00 45.14 H new ATOM 431 N THR A 31 -2.058 -15.340 -10.963 1.00 13.32 N ATOM 432 CA THR A 31 -1.998 -15.123 -9.523 1.00 33.32 C ATOM 433 C THR A 31 -3.396 -15.020 -8.924 1.00 12.43 C ATOM 434 O THR A 31 -3.586 -15.231 -7.726 1.00 24.12 O ATOM 435 CB THR A 31 -1.209 -13.846 -9.179 1.00 62.10 C ATOM 436 OG1 THR A 31 -1.184 -13.653 -7.760 1.00 42.55 O ATOM 437 CG2 THR A 31 -1.828 -12.630 -9.851 1.00 42.11 C ATOM 0 H THR A 31 -2.103 -14.484 -11.517 1.00 13.32 H new ATOM 0 HA THR A 31 -1.485 -15.984 -9.095 1.00 33.32 H new ATOM 0 HB THR A 31 -0.190 -13.965 -9.547 1.00 62.10 H new ATOM 0 HG1 THR A 31 -0.679 -12.840 -7.549 1.00 42.55 H new ATOM 0 HG21 THR A 31 -1.254 -11.740 -9.593 1.00 42.11 H new ATOM 0 HG22 THR A 31 -1.818 -12.768 -10.932 1.00 42.11 H new ATOM 0 HG23 THR A 31 -2.856 -12.510 -9.510 1.00 42.11 H new ATOM 445 N ARG A 32 -4.373 -14.694 -9.764 1.00 45.43 N ATOM 446 CA ARG A 32 -5.754 -14.562 -9.317 1.00 2.42 C ATOM 447 C ARG A 32 -6.654 -15.570 -10.026 1.00 3.34 C ATOM 448 O ARG A 32 -7.686 -15.979 -9.493 1.00 10.14 O ATOM 449 CB ARG A 32 -6.261 -13.141 -9.572 1.00 33.23 C ATOM 450 CG ARG A 32 -5.400 -12.063 -8.934 1.00 34.22 C ATOM 451 CD ARG A 32 -6.000 -11.574 -7.625 1.00 3.05 C ATOM 452 NE ARG A 32 -5.892 -10.125 -7.481 1.00 1.40 N ATOM 453 CZ ARG A 32 -6.634 -9.261 -8.165 1.00 63.14 C ATOM 454 NH1 ARG A 32 -7.533 -9.699 -9.036 1.00 1.21 N ATOM 455 NH2 ARG A 32 -6.477 -7.957 -7.979 1.00 52.34 N ATOM 0 H ARG A 32 -4.233 -14.516 -10.759 1.00 45.43 H new ATOM 0 HA ARG A 32 -5.784 -14.765 -8.246 1.00 2.42 H new ATOM 0 HB2 ARG A 32 -6.307 -12.968 -10.647 1.00 33.23 H new ATOM 0 HB3 ARG A 32 -7.279 -13.054 -9.191 1.00 33.23 H new ATOM 0 HG2 ARG A 32 -4.399 -12.455 -8.753 1.00 34.22 H new ATOM 0 HG3 ARG A 32 -5.294 -11.225 -9.623 1.00 34.22 H new ATOM 0 HD2 ARG A 32 -7.049 -11.866 -7.576 1.00 3.05 H new ATOM 0 HD3 ARG A 32 -5.494 -12.060 -6.791 1.00 3.05 H new ATOM 0 HE ARG A 32 -5.209 -9.756 -6.819 1.00 1.40 H new ATOM 0 HH11 ARG A 32 -7.656 -10.701 -9.182 1.00 1.21 H new ATOM 0 HH12 ARG A 32 -8.102 -9.034 -9.560 1.00 1.21 H new ATOM 0 HH21 ARG A 32 -5.786 -7.617 -7.310 1.00 52.34 H new ATOM 0 HH22 ARG A 32 -7.047 -7.295 -8.505 1.00 52.34 H new ATOM 469 N LEU A 33 -6.256 -15.966 -11.230 1.00 1.44 N ATOM 470 CA LEU A 33 -7.026 -16.926 -12.013 1.00 13.35 C ATOM 471 C LEU A 33 -7.343 -18.170 -11.189 1.00 61.25 C ATOM 472 O LEU A 33 -8.495 -18.598 -11.109 1.00 72.00 O ATOM 473 CB LEU A 33 -6.257 -17.318 -13.276 1.00 14.55 C ATOM 474 CG LEU A 33 -6.689 -18.622 -13.947 1.00 11.14 C ATOM 475 CD1 LEU A 33 -8.168 -18.577 -14.299 1.00 42.00 C ATOM 476 CD2 LEU A 33 -5.851 -18.886 -15.189 1.00 4.42 C ATOM 0 H LEU A 33 -5.405 -15.637 -11.685 1.00 1.44 H new ATOM 0 HA LEU A 33 -7.966 -16.454 -12.300 1.00 13.35 H new ATOM 0 HB2 LEU A 33 -6.353 -16.510 -14.001 1.00 14.55 H new ATOM 0 HB3 LEU A 33 -5.199 -17.395 -13.024 1.00 14.55 H new ATOM 0 HG LEU A 33 -6.529 -19.440 -13.245 1.00 11.14 H new ATOM 0 HD11 LEU A 33 -8.457 -19.514 -14.776 1.00 42.00 H new ATOM 0 HD12 LEU A 33 -8.754 -18.436 -13.391 1.00 42.00 H new ATOM 0 HD13 LEU A 33 -8.354 -17.749 -14.983 1.00 42.00 H new ATOM 0 HD21 LEU A 33 -6.173 -19.818 -15.653 1.00 4.42 H new ATOM 0 HD22 LEU A 33 -5.979 -18.066 -15.895 1.00 4.42 H new ATOM 0 HD23 LEU A 33 -4.800 -18.964 -14.909 1.00 4.42 H new ATOM 488 N LEU A 34 -6.314 -18.746 -10.578 1.00 22.21 N ATOM 489 CA LEU A 34 -6.482 -19.941 -9.758 1.00 71.11 C ATOM 490 C LEU A 34 -7.407 -19.665 -8.577 1.00 22.22 C ATOM 491 O LEU A 34 -8.319 -20.443 -8.296 1.00 45.41 O ATOM 492 CB LEU A 34 -5.124 -20.433 -9.254 1.00 13.34 C ATOM 493 CG LEU A 34 -4.236 -21.127 -10.286 1.00 60.44 C ATOM 494 CD1 LEU A 34 -5.000 -22.242 -10.984 1.00 51.35 C ATOM 495 CD2 LEU A 34 -3.711 -20.122 -11.301 1.00 4.25 C ATOM 0 H LEU A 34 -5.354 -18.405 -10.635 1.00 22.21 H new ATOM 0 HA LEU A 34 -6.935 -20.716 -10.377 1.00 71.11 H new ATOM 0 HB2 LEU A 34 -4.578 -19.580 -8.850 1.00 13.34 H new ATOM 0 HB3 LEU A 34 -5.294 -21.123 -8.428 1.00 13.34 H new ATOM 0 HG LEU A 34 -3.385 -21.567 -9.767 1.00 60.44 H new ATOM 0 HD11 LEU A 34 -4.352 -22.725 -11.715 1.00 51.35 H new ATOM 0 HD12 LEU A 34 -5.326 -22.976 -10.247 1.00 51.35 H new ATOM 0 HD13 LEU A 34 -5.871 -21.825 -11.490 1.00 51.35 H new ATOM 0 HD21 LEU A 34 -3.081 -20.634 -12.028 1.00 4.25 H new ATOM 0 HD22 LEU A 34 -4.550 -19.652 -11.815 1.00 4.25 H new ATOM 0 HD23 LEU A 34 -3.126 -19.358 -10.788 1.00 4.25 H new ATOM 507 N GLN A 35 -7.166 -18.553 -7.890 1.00 43.25 N ATOM 508 CA GLN A 35 -7.978 -18.174 -6.741 1.00 33.25 C ATOM 509 C GLN A 35 -9.460 -18.156 -7.103 1.00 44.10 C ATOM 510 O GLN A 35 -10.315 -18.500 -6.286 1.00 4.41 O ATOM 511 CB GLN A 35 -7.552 -16.801 -6.218 1.00 70.21 C ATOM 512 CG GLN A 35 -6.228 -16.818 -5.472 1.00 23.50 C ATOM 513 CD GLN A 35 -5.826 -15.448 -4.964 1.00 40.31 C ATOM 514 OE1 GLN A 35 -6.235 -14.425 -5.514 1.00 42.23 O ATOM 515 NE2 GLN A 35 -5.021 -15.420 -3.908 1.00 41.34 N ATOM 0 H GLN A 35 -6.415 -17.899 -8.110 1.00 43.25 H new ATOM 0 HA GLN A 35 -7.823 -18.917 -5.959 1.00 33.25 H new ATOM 0 HB2 GLN A 35 -7.478 -16.109 -7.057 1.00 70.21 H new ATOM 0 HB3 GLN A 35 -8.328 -16.417 -5.556 1.00 70.21 H new ATOM 0 HG2 GLN A 35 -6.299 -17.507 -4.630 1.00 23.50 H new ATOM 0 HG3 GLN A 35 -5.449 -17.200 -6.132 1.00 23.50 H new ATOM 0 HE21 GLN A 35 -4.706 -16.292 -3.483 1.00 41.34 H new ATOM 0 HE22 GLN A 35 -4.718 -14.526 -3.522 1.00 41.34 H new ATOM 524 N THR A 36 -9.758 -17.752 -8.334 1.00 62.11 N ATOM 525 CA THR A 36 -11.136 -17.687 -8.805 1.00 24.34 C ATOM 526 C THR A 36 -11.666 -19.075 -9.145 1.00 71.32 C ATOM 527 O THR A 36 -12.876 -19.304 -9.156 1.00 41.32 O ATOM 528 CB THR A 36 -11.264 -16.783 -10.045 1.00 1.44 C ATOM 529 OG1 THR A 36 -9.969 -16.527 -10.601 1.00 33.41 O ATOM 530 CG2 THR A 36 -11.936 -15.466 -9.687 1.00 11.25 C ATOM 0 H THR A 36 -9.063 -17.465 -9.023 1.00 62.11 H new ATOM 0 HA THR A 36 -11.728 -17.263 -7.994 1.00 24.34 H new ATOM 0 HB THR A 36 -11.880 -17.299 -10.781 1.00 1.44 H new ATOM 0 HG1 THR A 36 -9.670 -17.311 -11.108 1.00 33.41 H new ATOM 0 HG21 THR A 36 -12.015 -14.844 -10.579 1.00 11.25 H new ATOM 0 HG22 THR A 36 -12.933 -15.662 -9.291 1.00 11.25 H new ATOM 0 HG23 THR A 36 -11.342 -14.947 -8.934 1.00 11.25 H new ATOM 538 N LYS A 37 -10.754 -20.001 -9.422 1.00 43.43 N ATOM 539 CA LYS A 37 -11.129 -21.368 -9.762 1.00 21.14 C ATOM 540 C LYS A 37 -10.899 -22.305 -8.580 1.00 1.43 C ATOM 541 O LYS A 37 -10.914 -23.525 -8.731 1.00 63.32 O ATOM 542 CB LYS A 37 -10.329 -21.853 -10.973 1.00 1.30 C ATOM 543 CG LYS A 37 -10.500 -20.979 -12.204 1.00 4.14 C ATOM 544 CD LYS A 37 -11.965 -20.813 -12.571 1.00 23.20 C ATOM 545 CE LYS A 37 -12.134 -20.464 -14.042 1.00 15.35 C ATOM 546 NZ LYS A 37 -13.542 -20.639 -14.494 1.00 72.34 N ATOM 0 H LYS A 37 -9.749 -19.829 -9.418 1.00 43.43 H new ATOM 0 HA LYS A 37 -12.191 -21.376 -10.009 1.00 21.14 H new ATOM 0 HB2 LYS A 37 -9.272 -21.891 -10.708 1.00 1.30 H new ATOM 0 HB3 LYS A 37 -10.634 -22.871 -11.215 1.00 1.30 H new ATOM 0 HG2 LYS A 37 -10.057 -20.000 -12.021 1.00 4.14 H new ATOM 0 HG3 LYS A 37 -9.962 -21.421 -13.043 1.00 4.14 H new ATOM 0 HD2 LYS A 37 -12.503 -21.735 -12.350 1.00 23.20 H new ATOM 0 HD3 LYS A 37 -12.409 -20.030 -11.957 1.00 23.20 H new ATOM 0 HE2 LYS A 37 -11.824 -19.432 -14.209 1.00 15.35 H new ATOM 0 HE3 LYS A 37 -11.478 -21.094 -14.643 1.00 15.35 H new ATOM 0 HZ1 LYS A 37 -13.617 -20.391 -15.501 1.00 72.34 H new ATOM 0 HZ2 LYS A 37 -13.830 -21.629 -14.359 1.00 72.34 H new ATOM 0 HZ3 LYS A 37 -14.165 -20.019 -13.938 1.00 72.34 H new ATOM 560 N ASN A 38 -10.688 -21.724 -7.403 1.00 10.01 N ATOM 561 CA ASN A 38 -10.456 -22.507 -6.195 1.00 31.42 C ATOM 562 C ASN A 38 -9.199 -23.360 -6.333 1.00 23.43 C ATOM 563 O ASN A 38 -9.179 -24.525 -5.934 1.00 73.20 O ATOM 564 CB ASN A 38 -11.663 -23.401 -5.902 1.00 62.31 C ATOM 565 CG ASN A 38 -11.875 -23.617 -4.416 1.00 74.31 C ATOM 566 OD1 ASN A 38 -11.981 -22.662 -3.647 1.00 45.54 O ATOM 567 ND2 ASN A 38 -11.939 -24.878 -4.005 1.00 34.40 N ATOM 0 H ASN A 38 -10.673 -20.714 -7.260 1.00 10.01 H new ATOM 0 HA ASN A 38 -10.315 -21.815 -5.365 1.00 31.42 H new ATOM 0 HB2 ASN A 38 -12.558 -22.951 -6.332 1.00 62.31 H new ATOM 0 HB3 ASN A 38 -11.524 -24.366 -6.391 1.00 62.31 H new ATOM 0 HD21 ASN A 38 -12.081 -25.086 -3.017 1.00 34.40 H new ATOM 0 HD22 ASN A 38 -11.846 -25.639 -4.678 1.00 34.40 H new ATOM 574 N TYR A 39 -8.151 -22.772 -6.899 1.00 21.31 N ATOM 575 CA TYR A 39 -6.890 -23.478 -7.091 1.00 63.32 C ATOM 576 C TYR A 39 -7.093 -24.739 -7.926 1.00 20.45 C ATOM 577 O TYR A 39 -6.734 -25.840 -7.506 1.00 11.44 O ATOM 578 CB TYR A 39 -6.273 -23.842 -5.739 1.00 52.44 C ATOM 579 CG TYR A 39 -6.347 -22.727 -4.721 1.00 14.33 C ATOM 580 CD1 TYR A 39 -5.836 -21.466 -5.003 1.00 41.04 C ATOM 581 CD2 TYR A 39 -6.928 -22.934 -3.476 1.00 2.14 C ATOM 582 CE1 TYR A 39 -5.901 -20.444 -4.076 1.00 22.43 C ATOM 583 CE2 TYR A 39 -6.998 -21.918 -2.542 1.00 54.24 C ATOM 584 CZ TYR A 39 -6.483 -20.675 -2.847 1.00 34.10 C ATOM 585 OH TYR A 39 -6.550 -19.661 -1.920 1.00 14.35 O ATOM 0 H TYR A 39 -8.150 -21.808 -7.233 1.00 21.31 H new ATOM 0 HA TYR A 39 -6.210 -22.815 -7.626 1.00 63.32 H new ATOM 0 HB2 TYR A 39 -6.782 -24.720 -5.341 1.00 52.44 H new ATOM 0 HB3 TYR A 39 -5.229 -24.118 -5.888 1.00 52.44 H new ATOM 0 HD1 TYR A 39 -5.380 -21.282 -5.964 1.00 41.04 H new ATOM 0 HD2 TYR A 39 -7.332 -23.906 -3.234 1.00 2.14 H new ATOM 0 HE1 TYR A 39 -5.499 -19.470 -4.312 1.00 22.43 H new ATOM 0 HE2 TYR A 39 -7.453 -22.096 -1.579 1.00 54.24 H new ATOM 0 HH TYR A 39 -6.990 -19.989 -1.108 1.00 14.35 H new ATOM 595 N ASP A 40 -7.671 -24.570 -9.110 1.00 25.32 N ATOM 596 CA ASP A 40 -7.921 -25.693 -10.006 1.00 22.53 C ATOM 597 C ASP A 40 -6.976 -25.655 -11.203 1.00 1.14 C ATOM 598 O ASP A 40 -6.563 -24.583 -11.645 1.00 44.31 O ATOM 599 CB ASP A 40 -9.373 -25.677 -10.486 1.00 1.33 C ATOM 600 CG ASP A 40 -10.247 -26.652 -9.722 1.00 25.31 C ATOM 601 OD1 ASP A 40 -10.121 -26.715 -8.481 1.00 50.42 O ATOM 602 OD2 ASP A 40 -11.055 -27.354 -10.365 1.00 31.30 O ATOM 0 H ASP A 40 -7.975 -23.666 -9.472 1.00 25.32 H new ATOM 0 HA ASP A 40 -7.740 -26.614 -9.452 1.00 22.53 H new ATOM 0 HB2 ASP A 40 -9.777 -24.670 -10.378 1.00 1.33 H new ATOM 0 HB3 ASP A 40 -9.404 -25.921 -11.548 1.00 1.33 H new ATOM 607 N ILE A 41 -6.637 -26.831 -11.721 1.00 15.31 N ATOM 608 CA ILE A 41 -5.741 -26.931 -12.866 1.00 55.31 C ATOM 609 C ILE A 41 -6.521 -27.165 -14.155 1.00 53.35 C ATOM 610 O ILE A 41 -6.105 -26.738 -15.231 1.00 42.25 O ATOM 611 CB ILE A 41 -4.720 -28.069 -12.684 1.00 4.52 C ATOM 612 CG1 ILE A 41 -4.264 -28.146 -11.225 1.00 53.41 C ATOM 613 CG2 ILE A 41 -3.527 -27.863 -13.606 1.00 55.43 C ATOM 614 CD1 ILE A 41 -3.672 -26.853 -10.708 1.00 34.32 C ATOM 0 H ILE A 41 -6.969 -27.727 -11.366 1.00 15.31 H new ATOM 0 HA ILE A 41 -5.208 -25.983 -12.933 1.00 55.31 H new ATOM 0 HB ILE A 41 -5.199 -29.012 -12.946 1.00 4.52 H new ATOM 0 HG12 ILE A 41 -5.114 -28.422 -10.601 1.00 53.41 H new ATOM 0 HG13 ILE A 41 -3.524 -28.940 -11.125 1.00 53.41 H new ATOM 0 HG21 ILE A 41 -2.814 -28.676 -13.466 1.00 55.43 H new ATOM 0 HG22 ILE A 41 -3.865 -27.852 -14.642 1.00 55.43 H new ATOM 0 HG23 ILE A 41 -3.046 -26.914 -13.372 1.00 55.43 H new ATOM 0 HD11 ILE A 41 -3.371 -26.981 -9.668 1.00 34.32 H new ATOM 0 HD12 ILE A 41 -2.802 -26.586 -11.308 1.00 34.32 H new ATOM 0 HD13 ILE A 41 -4.416 -26.060 -10.775 1.00 34.32 H new ATOM 626 N GLY A 42 -7.658 -27.845 -14.038 1.00 63.14 N ATOM 627 CA GLY A 42 -8.479 -28.123 -15.202 1.00 14.31 C ATOM 628 C GLY A 42 -9.378 -26.958 -15.568 1.00 71.32 C ATOM 629 O GLY A 42 -9.872 -26.877 -16.692 1.00 55.22 O ATOM 0 H GLY A 42 -8.025 -28.208 -13.158 1.00 63.14 H new ATOM 0 HA2 GLY A 42 -7.835 -28.361 -16.049 1.00 14.31 H new ATOM 0 HA3 GLY A 42 -9.091 -29.004 -15.009 1.00 14.31 H new ATOM 633 N ALA A 43 -9.592 -26.055 -14.617 1.00 24.54 N ATOM 634 CA ALA A 43 -10.437 -24.890 -14.845 1.00 63.01 C ATOM 635 C ALA A 43 -9.618 -23.710 -15.358 1.00 61.44 C ATOM 636 O ALA A 43 -10.096 -22.917 -16.168 1.00 41.51 O ATOM 637 CB ALA A 43 -11.169 -24.510 -13.567 1.00 21.24 C ATOM 0 H ALA A 43 -9.191 -26.108 -13.681 1.00 24.54 H new ATOM 0 HA ALA A 43 -11.171 -25.149 -15.608 1.00 63.01 H new ATOM 0 HB1 ALA A 43 -11.796 -23.638 -13.753 1.00 21.24 H new ATOM 0 HB2 ALA A 43 -11.792 -25.343 -13.243 1.00 21.24 H new ATOM 0 HB3 ALA A 43 -10.443 -24.276 -12.788 1.00 21.24 H new ATOM 643 N ALA A 44 -8.382 -23.602 -14.881 1.00 53.54 N ATOM 644 CA ALA A 44 -7.497 -22.519 -15.293 1.00 60.44 C ATOM 645 C ALA A 44 -6.874 -22.808 -16.655 1.00 51.11 C ATOM 646 O ALA A 44 -6.338 -21.911 -17.307 1.00 13.51 O ATOM 647 CB ALA A 44 -6.411 -22.299 -14.250 1.00 75.32 C ATOM 0 H ALA A 44 -7.971 -24.251 -14.210 1.00 53.54 H new ATOM 0 HA ALA A 44 -8.092 -21.610 -15.380 1.00 60.44 H new ATOM 0 HB1 ALA A 44 -5.758 -21.488 -14.571 1.00 75.32 H new ATOM 0 HB2 ALA A 44 -6.870 -22.040 -13.296 1.00 75.32 H new ATOM 0 HB3 ALA A 44 -5.826 -23.212 -14.135 1.00 75.32 H new ATOM 653 N LEU A 45 -6.947 -24.065 -17.079 1.00 41.32 N ATOM 654 CA LEU A 45 -6.389 -24.472 -18.364 1.00 52.02 C ATOM 655 C LEU A 45 -7.265 -23.988 -19.516 1.00 22.42 C ATOM 656 O LEU A 45 -6.806 -23.877 -20.653 1.00 15.11 O ATOM 657 CB LEU A 45 -6.247 -25.994 -18.421 1.00 44.12 C ATOM 658 CG LEU A 45 -4.924 -26.564 -17.907 1.00 51.12 C ATOM 659 CD1 LEU A 45 -5.028 -28.070 -17.720 1.00 55.52 C ATOM 660 CD2 LEU A 45 -3.789 -26.220 -18.861 1.00 21.45 C ATOM 0 H LEU A 45 -7.387 -24.820 -16.552 1.00 41.32 H new ATOM 0 HA LEU A 45 -5.404 -24.017 -18.465 1.00 52.02 H new ATOM 0 HB2 LEU A 45 -7.059 -26.437 -17.844 1.00 44.12 H new ATOM 0 HB3 LEU A 45 -6.380 -26.313 -19.455 1.00 44.12 H new ATOM 0 HG LEU A 45 -4.708 -26.113 -16.939 1.00 51.12 H new ATOM 0 HD11 LEU A 45 -4.077 -28.458 -17.354 1.00 55.52 H new ATOM 0 HD12 LEU A 45 -5.813 -28.294 -16.998 1.00 55.52 H new ATOM 0 HD13 LEU A 45 -5.268 -28.539 -18.674 1.00 55.52 H new ATOM 0 HD21 LEU A 45 -2.855 -26.633 -18.480 1.00 21.45 H new ATOM 0 HD22 LEU A 45 -3.999 -26.643 -19.843 1.00 21.45 H new ATOM 0 HD23 LEU A 45 -3.699 -25.137 -18.944 1.00 21.45 H new ATOM 672 N ASP A 46 -8.526 -23.701 -19.213 1.00 2.23 N ATOM 673 CA ASP A 46 -9.465 -23.226 -20.222 1.00 14.43 C ATOM 674 C ASP A 46 -9.827 -21.763 -19.981 1.00 74.33 C ATOM 675 O ASP A 46 -10.885 -21.296 -20.405 1.00 42.24 O ATOM 676 CB ASP A 46 -10.731 -24.085 -20.216 1.00 2.31 C ATOM 677 CG ASP A 46 -11.079 -24.612 -21.594 1.00 24.41 C ATOM 678 OD1 ASP A 46 -10.242 -25.328 -22.183 1.00 51.23 O ATOM 679 OD2 ASP A 46 -12.187 -24.309 -22.083 1.00 71.23 O ATOM 0 H ASP A 46 -8.921 -23.789 -18.277 1.00 2.23 H new ATOM 0 HA ASP A 46 -8.985 -23.307 -21.197 1.00 14.43 H new ATOM 0 HB2 ASP A 46 -10.594 -24.924 -19.533 1.00 2.31 H new ATOM 0 HB3 ASP A 46 -11.565 -23.496 -19.834 1.00 2.31 H new ATOM 684 N THR A 47 -8.943 -21.045 -19.297 1.00 2.43 N ATOM 685 CA THR A 47 -9.170 -19.636 -18.998 1.00 24.45 C ATOM 686 C THR A 47 -8.203 -18.747 -19.772 1.00 32.34 C ATOM 687 O THR A 47 -8.037 -17.570 -19.452 1.00 3.13 O ATOM 688 CB THR A 47 -9.018 -19.351 -17.491 1.00 53.45 C ATOM 689 OG1 THR A 47 -9.603 -20.413 -16.730 1.00 63.10 O ATOM 690 CG2 THR A 47 -9.680 -18.032 -17.122 1.00 2.51 C ATOM 0 H THR A 47 -8.063 -21.416 -18.939 1.00 2.43 H new ATOM 0 HA THR A 47 -10.191 -19.408 -19.303 1.00 24.45 H new ATOM 0 HB THR A 47 -7.955 -19.284 -17.261 1.00 53.45 H new ATOM 0 HG1 THR A 47 -9.205 -21.267 -17.000 1.00 63.10 H new ATOM 0 HG21 THR A 47 -9.560 -17.851 -16.054 1.00 2.51 H new ATOM 0 HG22 THR A 47 -9.213 -17.221 -17.682 1.00 2.51 H new ATOM 0 HG23 THR A 47 -10.741 -18.077 -17.366 1.00 2.51 H new ATOM 698 N ILE A 48 -7.569 -19.317 -20.791 1.00 32.33 N ATOM 699 CA ILE A 48 -6.621 -18.575 -21.611 1.00 44.33 C ATOM 700 C ILE A 48 -7.070 -18.531 -23.068 1.00 11.23 C ATOM 701 O ILE A 48 -6.793 -17.569 -23.784 1.00 14.24 O ATOM 702 CB ILE A 48 -5.211 -19.191 -21.539 1.00 41.31 C ATOM 703 CG1 ILE A 48 -5.012 -19.909 -20.203 1.00 12.33 C ATOM 704 CG2 ILE A 48 -4.152 -18.115 -21.731 1.00 54.02 C ATOM 705 CD1 ILE A 48 -5.433 -21.362 -20.229 1.00 3.51 C ATOM 0 H ILE A 48 -7.695 -20.291 -21.068 1.00 32.33 H new ATOM 0 HA ILE A 48 -6.587 -17.561 -21.213 1.00 44.33 H new ATOM 0 HB ILE A 48 -5.109 -19.921 -22.342 1.00 41.31 H new ATOM 0 HG12 ILE A 48 -3.961 -19.849 -19.920 1.00 12.33 H new ATOM 0 HG13 ILE A 48 -5.580 -19.388 -19.432 1.00 12.33 H new ATOM 0 HG21 ILE A 48 -3.161 -18.566 -21.677 1.00 54.02 H new ATOM 0 HG22 ILE A 48 -4.284 -17.644 -22.705 1.00 54.02 H new ATOM 0 HG23 ILE A 48 -4.251 -17.363 -20.948 1.00 54.02 H new ATOM 0 HD11 ILE A 48 -5.264 -21.807 -19.249 1.00 3.51 H new ATOM 0 HD12 ILE A 48 -6.491 -21.430 -20.481 1.00 3.51 H new ATOM 0 HD13 ILE A 48 -4.847 -21.897 -20.977 1.00 3.51 H new ATOM 717 N GLN A 49 -7.766 -19.578 -23.498 1.00 71.13 N ATOM 718 CA GLN A 49 -8.255 -19.658 -24.870 1.00 32.14 C ATOM 719 C GLN A 49 -9.012 -18.390 -25.253 1.00 24.43 C ATOM 720 O GLN A 49 -8.787 -17.820 -26.320 1.00 43.03 O ATOM 721 CB GLN A 49 -9.162 -20.878 -25.040 1.00 22.33 C ATOM 722 CG GLN A 49 -8.493 -22.191 -24.664 1.00 44.42 C ATOM 723 CD GLN A 49 -7.315 -22.523 -25.560 1.00 14.41 C ATOM 724 OE1 GLN A 49 -6.159 -22.389 -25.160 1.00 3.34 O ATOM 725 NE2 GLN A 49 -7.604 -22.959 -26.780 1.00 54.14 N ATOM 0 H GLN A 49 -8.004 -20.382 -22.917 1.00 71.13 H new ATOM 0 HA GLN A 49 -7.394 -19.759 -25.531 1.00 32.14 H new ATOM 0 HB2 GLN A 49 -10.054 -20.746 -24.427 1.00 22.33 H new ATOM 0 HB3 GLN A 49 -9.493 -20.932 -26.077 1.00 22.33 H new ATOM 0 HG2 GLN A 49 -8.154 -22.139 -23.629 1.00 44.42 H new ATOM 0 HG3 GLN A 49 -9.225 -22.997 -24.719 1.00 44.42 H new ATOM 0 HE21 GLN A 49 -8.577 -23.055 -27.070 1.00 54.14 H new ATOM 0 HE22 GLN A 49 -6.853 -23.198 -27.427 1.00 54.14 H new ATOM 734 N TYR A 50 -9.909 -17.955 -24.375 1.00 60.23 N ATOM 735 CA TYR A 50 -10.701 -16.756 -24.623 1.00 20.31 C ATOM 736 C TYR A 50 -11.448 -16.327 -23.364 1.00 22.13 C ATOM 737 O TYR A 50 -12.034 -17.153 -22.664 1.00 51.01 O ATOM 738 CB TYR A 50 -11.694 -17.002 -25.760 1.00 14.22 C ATOM 739 CG TYR A 50 -12.813 -17.950 -25.392 1.00 55.30 C ATOM 740 CD1 TYR A 50 -13.978 -17.483 -24.795 1.00 71.12 C ATOM 741 CD2 TYR A 50 -12.706 -19.312 -25.642 1.00 73.35 C ATOM 742 CE1 TYR A 50 -15.002 -18.346 -24.457 1.00 15.22 C ATOM 743 CE2 TYR A 50 -13.726 -20.182 -25.309 1.00 34.31 C ATOM 744 CZ TYR A 50 -14.872 -19.694 -24.716 1.00 31.32 C ATOM 745 OH TYR A 50 -15.891 -20.557 -24.382 1.00 1.24 O ATOM 0 H TYR A 50 -10.106 -18.414 -23.486 1.00 60.23 H new ATOM 0 HA TYR A 50 -10.021 -15.955 -24.911 1.00 20.31 H new ATOM 0 HB2 TYR A 50 -12.123 -16.049 -26.069 1.00 14.22 H new ATOM 0 HB3 TYR A 50 -11.157 -17.403 -26.620 1.00 14.22 H new ATOM 0 HD1 TYR A 50 -14.084 -16.428 -24.592 1.00 71.12 H new ATOM 0 HD2 TYR A 50 -11.810 -19.698 -26.105 1.00 73.35 H new ATOM 0 HE1 TYR A 50 -15.900 -17.967 -23.992 1.00 15.22 H new ATOM 0 HE2 TYR A 50 -13.627 -21.238 -25.512 1.00 34.31 H new ATOM 0 HH TYR A 50 -15.641 -21.471 -24.632 1.00 1.24 H new ATOM 755 N SER A 51 -11.422 -15.028 -23.082 1.00 60.31 N ATOM 756 CA SER A 51 -12.093 -14.488 -21.906 1.00 14.40 C ATOM 757 C SER A 51 -11.949 -12.970 -21.848 1.00 12.12 C ATOM 758 O SER A 51 -12.940 -12.239 -21.858 1.00 60.11 O ATOM 759 CB SER A 51 -11.522 -15.115 -20.633 1.00 3.20 C ATOM 760 OG SER A 51 -12.035 -14.478 -19.476 1.00 11.02 O ATOM 0 H SER A 51 -10.943 -14.331 -23.652 1.00 60.31 H new ATOM 0 HA SER A 51 -13.153 -14.733 -21.978 1.00 14.40 H new ATOM 0 HB2 SER A 51 -11.766 -16.177 -20.606 1.00 3.20 H new ATOM 0 HB3 SER A 51 -10.435 -15.038 -20.642 1.00 3.20 H new ATOM 0 HG SER A 51 -11.656 -14.898 -18.676 1.00 11.02 H new ATOM 766 N LYS A 52 -10.707 -12.502 -21.787 1.00 11.05 N ATOM 767 CA LYS A 52 -10.430 -11.072 -21.728 1.00 1.31 C ATOM 768 C LYS A 52 -10.431 -10.459 -23.125 1.00 31.50 C ATOM 769 O LYS A 52 -10.687 -9.266 -23.291 1.00 23.34 O ATOM 770 CB LYS A 52 -9.081 -10.820 -21.050 1.00 62.14 C ATOM 771 CG LYS A 52 -7.892 -10.984 -21.982 1.00 55.11 C ATOM 772 CD LYS A 52 -7.509 -9.666 -22.633 1.00 43.33 C ATOM 773 CE LYS A 52 -6.288 -9.050 -21.968 1.00 5.02 C ATOM 774 NZ LYS A 52 -6.158 -7.599 -22.279 1.00 74.41 N ATOM 0 H LYS A 52 -9.876 -13.093 -21.777 1.00 11.05 H new ATOM 0 HA LYS A 52 -11.218 -10.599 -21.142 1.00 1.31 H new ATOM 0 HB2 LYS A 52 -9.073 -9.811 -20.639 1.00 62.14 H new ATOM 0 HB3 LYS A 52 -8.972 -11.507 -20.211 1.00 62.14 H new ATOM 0 HG2 LYS A 52 -7.042 -11.376 -21.423 1.00 55.11 H new ATOM 0 HG3 LYS A 52 -8.131 -11.716 -22.753 1.00 55.11 H new ATOM 0 HD2 LYS A 52 -7.305 -9.827 -23.692 1.00 43.33 H new ATOM 0 HD3 LYS A 52 -8.347 -8.972 -22.572 1.00 43.33 H new ATOM 0 HE2 LYS A 52 -6.356 -9.185 -20.889 1.00 5.02 H new ATOM 0 HE3 LYS A 52 -5.391 -9.574 -22.299 1.00 5.02 H new ATOM 0 HZ1 LYS A 52 -5.314 -7.217 -21.807 1.00 74.41 H new ATOM 0 HZ2 LYS A 52 -6.068 -7.471 -23.307 1.00 74.41 H new ATOM 0 HZ3 LYS A 52 -7.002 -7.094 -21.940 1.00 74.41 H new ATOM 788 N HIS A 53 -10.145 -11.284 -24.128 1.00 13.12 N ATOM 789 CA HIS A 53 -10.116 -10.823 -25.511 1.00 64.44 C ATOM 790 C HIS A 53 -11.438 -10.165 -25.893 1.00 42.32 C ATOM 791 O HIS A 53 -11.549 -9.540 -26.948 1.00 41.35 O ATOM 792 CB HIS A 53 -9.824 -11.991 -26.454 1.00 24.42 C ATOM 793 CG HIS A 53 -8.364 -12.198 -26.717 1.00 43.12 C ATOM 794 ND1 HIS A 53 -7.757 -13.435 -26.666 1.00 33.23 N ATOM 795 CD2 HIS A 53 -7.388 -11.316 -27.038 1.00 15.45 C ATOM 796 CE1 HIS A 53 -6.472 -13.305 -26.941 1.00 41.12 C ATOM 797 NE2 HIS A 53 -6.222 -12.028 -27.171 1.00 74.41 N ATOM 0 H HIS A 53 -9.930 -12.274 -24.008 1.00 13.12 H new ATOM 0 HA HIS A 53 -9.322 -10.082 -25.604 1.00 64.44 H new ATOM 0 HB2 HIS A 53 -10.241 -12.904 -26.029 1.00 24.42 H new ATOM 0 HB3 HIS A 53 -10.335 -11.819 -27.401 1.00 24.42 H new ATOM 0 HD2 HIS A 53 -7.505 -10.250 -27.166 1.00 15.45 H new ATOM 0 HE1 HIS A 53 -5.748 -14.106 -26.973 1.00 41.12 H new ATOM 0 HE2 HIS A 53 -5.311 -11.635 -27.409 1.00 74.41 H new TER 805 HIS A 53