USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 789 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 23 SER OG : rot -13:sc= 0.617 USER MOD Set 1.2: A 55 LYS NZ :NH3+ -166:sc= 1.78 (180deg=0.312) USER MOD Set 2.1: A 7 SER OG : rot 180:sc= 0.219 USER MOD Set 2.2: A 10 GLN : amide:sc= 0.167 X(o=0.39,f=0.88) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 131:sc= -0.631! (180deg=-1.45!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0985 USER MOD Single : A 9 GLN :FLIP amide:sc= -0.0143 F(o=-1.1,f=-0.014) USER MOD Single : A 17 GLN : amide:sc= -0.633 X(o=-0.63,f=-0.28) USER MOD Single : A 22 GLN : amide:sc= 0.59 K(o=0.59,f=-0.086) USER MOD Single : A 24 ASN :FLIP amide:sc= -1.06 F(o=-2.4!,f=-1.1) USER MOD Single : A 27 ASN : amide:sc= 0.316 K(o=0.32,f=-1.1) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot -19:sc= 0.524 USER MOD Single : A 37 SER OG : rot -17:sc= 1.11 USER MOD Single : A 40 LYS NZ :NH3+ 151:sc= -2.54! (180deg=-4.69!) USER MOD Single : A 41 TYR OH : rot 180:sc= -0.283 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 167:sc= 1.32 (180deg=1.26) USER MOD Single : A 51 THR OG1 : rot 120:sc= 0 USER MOD Single : A 58 ASN : amide:sc=-0.00978 K(o=-0.0098,f=-0.72) USER MOD Single : A 62 LYS NZ :NH3+ -163:sc= -0.0927 (180deg=-0.489) USER MOD Single : A 63 LYS NZ :NH3+ -171:sc= 0.456 (180deg=0.149) USER MOD Single : A 64 THR OG1 : rot -121:sc= 0.58 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0.225 K(o=0.23,f=-12!) USER MOD Single : A 71 LYS NZ :NH3+ -172:sc=-0.00453 (180deg=-0.102) USER MOD Single : A 74 LYS NZ :NH3+ -155:sc= -0.211 (180deg=-0.794) USER MOD Single : A 75 LYS NZ :NH3+ -170:sc=-0.00671 (180deg=-0.111) USER MOD Single : A 79 SER OG : rot -99:sc= 0.696 USER MOD Single : A 81 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.18) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : no HE2:sc= -1.07 K(o=-1.1,f=-1.9) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 90 HIS : no HE2:sc= 0.727 K(o=0.73,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.436 -2.603 -1.409 1.00 31.50 N ATOM 2 CA MET A 1 4.809 -2.153 -1.767 1.00 71.15 C ATOM 3 C MET A 1 5.607 -3.298 -2.412 1.00 52.13 C ATOM 4 O MET A 1 5.949 -3.240 -3.592 1.00 34.12 O ATOM 5 CB MET A 1 5.537 -1.631 -0.518 1.00 11.31 C ATOM 6 CG MET A 1 4.749 -0.574 0.247 1.00 53.22 C ATOM 7 SD MET A 1 3.165 -1.202 0.843 1.00 41.04 S ATOM 8 CE MET A 1 2.467 0.261 1.609 1.00 4.35 C ATOM 0 H1 MET A 1 3.226 -2.329 -0.428 1.00 31.50 H new ATOM 0 H2 MET A 1 2.747 -2.157 -2.048 1.00 31.50 H new ATOM 0 H3 MET A 1 3.375 -3.637 -1.501 1.00 31.50 H new ATOM 0 HA MET A 1 4.729 -1.343 -2.492 1.00 71.15 H new ATOM 0 HB2 MET A 1 5.747 -2.469 0.147 1.00 11.31 H new ATOM 0 HB3 MET A 1 6.498 -1.212 -0.816 1.00 11.31 H new ATOM 0 HG2 MET A 1 5.341 -0.224 1.093 1.00 53.22 H new ATOM 0 HG3 MET A 1 4.577 0.287 -0.399 1.00 53.22 H new ATOM 0 HE1 MET A 1 1.487 0.023 2.022 1.00 4.35 H new ATOM 0 HE2 MET A 1 3.124 0.602 2.409 1.00 4.35 H new ATOM 0 HE3 MET A 1 2.365 1.049 0.863 1.00 4.35 H new ATOM 20 N THR A 2 5.899 -4.340 -1.632 1.00 61.44 N ATOM 21 CA THR A 2 6.586 -5.537 -2.143 1.00 42.44 C ATOM 22 C THR A 2 5.788 -6.814 -1.830 1.00 53.24 C ATOM 23 O THR A 2 5.186 -7.417 -2.723 1.00 64.04 O ATOM 24 CB THR A 2 8.015 -5.675 -1.554 1.00 40.32 C ATOM 25 OG1 THR A 2 7.959 -5.751 -0.119 1.00 0.43 O ATOM 26 CG2 THR A 2 8.898 -4.501 -1.964 1.00 20.14 C ATOM 0 H THR A 2 5.671 -4.383 -0.639 1.00 61.44 H new ATOM 0 HA THR A 2 6.661 -5.414 -3.223 1.00 42.44 H new ATOM 0 HB THR A 2 8.449 -6.592 -1.952 1.00 40.32 H new ATOM 0 HG1 THR A 2 8.867 -5.840 0.240 1.00 0.43 H new ATOM 0 HG21 THR A 2 9.892 -4.627 -1.536 1.00 20.14 H new ATOM 0 HG22 THR A 2 8.973 -4.464 -3.051 1.00 20.14 H new ATOM 0 HG23 THR A 2 8.461 -3.572 -1.599 1.00 20.14 H new ATOM 34 N ALA A 3 5.785 -7.216 -0.556 1.00 43.52 N ATOM 35 CA ALA A 3 5.045 -8.404 -0.103 1.00 30.25 C ATOM 36 C ALA A 3 5.195 -8.617 1.411 1.00 63.03 C ATOM 37 O ALA A 3 4.213 -8.622 2.156 1.00 74.32 O ATOM 38 CB ALA A 3 5.513 -9.655 -0.849 1.00 71.14 C ATOM 0 H ALA A 3 6.290 -6.734 0.187 1.00 43.52 H new ATOM 0 HA ALA A 3 3.992 -8.231 -0.324 1.00 30.25 H new ATOM 0 HB1 ALA A 3 4.951 -10.520 -0.497 1.00 71.14 H new ATOM 0 HB2 ALA A 3 5.346 -9.525 -1.918 1.00 71.14 H new ATOM 0 HB3 ALA A 3 6.576 -9.813 -0.664 1.00 71.14 H new ATOM 44 N ALA A 4 6.436 -8.787 1.863 1.00 54.14 N ATOM 45 CA ALA A 4 6.715 -9.084 3.271 1.00 61.40 C ATOM 46 C ALA A 4 7.654 -8.047 3.911 1.00 33.51 C ATOM 47 O ALA A 4 8.865 -8.067 3.678 1.00 55.20 O ATOM 48 CB ALA A 4 7.310 -10.483 3.399 1.00 12.25 C ATOM 0 H ALA A 4 7.267 -8.724 1.275 1.00 54.14 H new ATOM 0 HA ALA A 4 5.768 -9.037 3.809 1.00 61.40 H new ATOM 0 HB1 ALA A 4 7.515 -10.697 4.448 1.00 12.25 H new ATOM 0 HB2 ALA A 4 6.603 -11.216 3.011 1.00 12.25 H new ATOM 0 HB3 ALA A 4 8.238 -10.537 2.830 1.00 12.25 H new ATOM 54 N PRO A 5 7.101 -7.101 4.704 1.00 31.21 N ATOM 55 CA PRO A 5 7.910 -6.160 5.504 1.00 52.02 C ATOM 56 C PRO A 5 8.883 -6.886 6.451 1.00 2.11 C ATOM 57 O PRO A 5 10.040 -6.491 6.593 1.00 41.01 O ATOM 58 CB PRO A 5 6.856 -5.379 6.305 1.00 44.31 C ATOM 59 CG PRO A 5 5.610 -5.483 5.492 1.00 25.42 C ATOM 60 CD PRO A 5 5.655 -6.847 4.854 1.00 12.30 C ATOM 0 HA PRO A 5 8.542 -5.529 4.880 1.00 52.02 H new ATOM 0 HB2 PRO A 5 6.717 -5.805 7.299 1.00 44.31 H new ATOM 0 HB3 PRO A 5 7.153 -4.339 6.443 1.00 44.31 H new ATOM 0 HG2 PRO A 5 4.724 -5.372 6.117 1.00 25.42 H new ATOM 0 HG3 PRO A 5 5.568 -4.698 4.737 1.00 25.42 H new ATOM 0 HD2 PRO A 5 5.177 -7.600 5.480 1.00 12.30 H new ATOM 0 HD3 PRO A 5 5.142 -6.859 3.892 1.00 12.30 H new ATOM 68 N ALA A 6 8.385 -7.946 7.097 1.00 2.21 N ATOM 69 CA ALA A 6 9.199 -8.824 7.956 1.00 4.55 C ATOM 70 C ALA A 6 9.645 -8.151 9.272 1.00 2.13 C ATOM 71 O ALA A 6 9.183 -8.523 10.351 1.00 42.34 O ATOM 72 CB ALA A 6 10.405 -9.361 7.185 1.00 52.23 C ATOM 0 H ALA A 6 7.405 -8.223 7.041 1.00 2.21 H new ATOM 0 HA ALA A 6 8.556 -9.656 8.243 1.00 4.55 H new ATOM 0 HB1 ALA A 6 10.994 -10.007 7.835 1.00 52.23 H new ATOM 0 HB2 ALA A 6 10.061 -9.931 6.322 1.00 52.23 H new ATOM 0 HB3 ALA A 6 11.021 -8.528 6.847 1.00 52.23 H new ATOM 78 N SER A 7 10.548 -7.172 9.182 1.00 60.51 N ATOM 79 CA SER A 7 11.123 -6.534 10.380 1.00 30.24 C ATOM 80 C SER A 7 10.159 -5.507 11.011 1.00 43.11 C ATOM 81 O SER A 7 9.791 -4.512 10.384 1.00 54.13 O ATOM 82 CB SER A 7 12.461 -5.858 10.042 1.00 13.10 C ATOM 83 OG SER A 7 12.296 -4.822 9.086 1.00 43.32 O ATOM 0 H SER A 7 10.899 -6.801 8.299 1.00 60.51 H new ATOM 0 HA SER A 7 11.292 -7.323 11.112 1.00 30.24 H new ATOM 0 HB2 SER A 7 12.902 -5.448 10.951 1.00 13.10 H new ATOM 0 HB3 SER A 7 13.158 -6.602 9.656 1.00 13.10 H new ATOM 0 HG SER A 7 13.165 -4.412 8.894 1.00 43.32 H new ATOM 89 N PRO A 8 9.756 -5.737 12.282 1.00 20.44 N ATOM 90 CA PRO A 8 8.814 -4.862 13.026 1.00 4.12 C ATOM 91 C PRO A 8 9.196 -3.370 13.046 1.00 12.33 C ATOM 92 O PRO A 8 8.335 -2.500 13.187 1.00 64.02 O ATOM 93 CB PRO A 8 8.874 -5.429 14.448 1.00 34.03 C ATOM 94 CG PRO A 8 9.211 -6.866 14.257 1.00 10.23 C ATOM 95 CD PRO A 8 10.174 -6.897 13.102 1.00 5.12 C ATOM 0 HA PRO A 8 7.831 -4.872 12.556 1.00 4.12 H new ATOM 0 HB2 PRO A 8 9.628 -4.920 15.048 1.00 34.03 H new ATOM 0 HB3 PRO A 8 7.922 -5.309 14.965 1.00 34.03 H new ATOM 0 HG2 PRO A 8 9.661 -7.287 15.156 1.00 10.23 H new ATOM 0 HG3 PRO A 8 8.319 -7.454 14.041 1.00 10.23 H new ATOM 0 HD2 PRO A 8 11.207 -6.802 13.436 1.00 5.12 H new ATOM 0 HD3 PRO A 8 10.104 -7.831 12.544 1.00 5.12 H new ATOM 103 N GLN A 9 10.483 -3.083 12.909 1.00 32.15 N ATOM 104 CA GLN A 9 11.001 -1.716 13.060 1.00 65.34 C ATOM 105 C GLN A 9 10.372 -0.719 12.067 1.00 0.42 C ATOM 106 O GLN A 9 10.104 0.433 12.420 1.00 5.32 O ATOM 107 CB GLN A 9 12.524 -1.730 12.896 1.00 12.14 C ATOM 108 CG GLN A 9 13.021 -2.512 11.683 1.00 63.42 C ATOM 109 CD GLN A 9 14.537 -2.598 11.617 1.00 31.14 C ATOM 110 OE1 GLN A 9 15.183 -2.659 12.764 1.00 14.51 O flip ATOM 111 NE2 GLN A 9 15.123 -2.633 10.540 1.00 63.10 N flip ATOM 0 H GLN A 9 11.197 -3.778 12.692 1.00 32.15 H new ATOM 0 HA GLN A 9 10.728 -1.374 14.058 1.00 65.34 H new ATOM 0 HB2 GLN A 9 12.878 -0.702 12.820 1.00 12.14 H new ATOM 0 HB3 GLN A 9 12.970 -2.156 13.795 1.00 12.14 H new ATOM 0 HG2 GLN A 9 12.606 -3.519 11.711 1.00 63.42 H new ATOM 0 HG3 GLN A 9 12.649 -2.039 10.774 1.00 63.42 H new ATOM 0 HE21 GLN A 9 14.594 -2.584 9.670 1.00 63.10 H new ATOM 0 HE22 GLN A 9 16.140 -2.711 10.515 1.00 63.10 H new ATOM 120 N GLN A 10 10.152 -1.156 10.834 1.00 40.44 N ATOM 121 CA GLN A 10 9.525 -0.314 9.802 1.00 74.31 C ATOM 122 C GLN A 10 8.039 -0.042 10.109 1.00 2.55 C ATOM 123 O GLN A 10 7.495 0.995 9.730 1.00 44.22 O ATOM 124 CB GLN A 10 9.689 -0.953 8.418 1.00 71.42 C ATOM 125 CG GLN A 10 8.969 -2.285 8.256 1.00 34.52 C ATOM 126 CD GLN A 10 9.531 -3.100 7.109 1.00 30.45 C ATOM 127 OE1 GLN A 10 9.087 -3.000 5.969 1.00 10.35 O ATOM 128 NE2 GLN A 10 10.514 -3.919 7.409 1.00 2.32 N ATOM 0 H GLN A 10 10.397 -2.093 10.515 1.00 40.44 H new ATOM 0 HA GLN A 10 10.036 0.649 9.805 1.00 74.31 H new ATOM 0 HB2 GLN A 10 9.319 -0.259 7.664 1.00 71.42 H new ATOM 0 HB3 GLN A 10 10.751 -1.101 8.222 1.00 71.42 H new ATOM 0 HG2 GLN A 10 9.051 -2.856 9.181 1.00 34.52 H new ATOM 0 HG3 GLN A 10 7.907 -2.105 8.086 1.00 34.52 H new ATOM 0 HE21 GLN A 10 10.857 -3.975 8.368 1.00 2.32 H new ATOM 0 HE22 GLN A 10 10.934 -4.499 6.683 1.00 2.32 H new ATOM 137 N ILE A 11 7.393 -0.977 10.808 1.00 51.35 N ATOM 138 CA ILE A 11 5.949 -0.904 11.080 1.00 2.41 C ATOM 139 C ILE A 11 5.567 0.380 11.845 1.00 65.13 C ATOM 140 O ILE A 11 4.475 0.917 11.658 1.00 64.32 O ATOM 141 CB ILE A 11 5.460 -2.148 11.873 1.00 61.50 C ATOM 142 CG1 ILE A 11 5.742 -3.435 11.074 1.00 30.11 C ATOM 143 CG2 ILE A 11 3.971 -2.035 12.210 1.00 71.04 C ATOM 144 CD1 ILE A 11 5.300 -4.704 11.775 1.00 51.44 C ATOM 0 H ILE A 11 7.848 -1.801 11.200 1.00 51.35 H new ATOM 0 HA ILE A 11 5.453 -0.883 10.109 1.00 2.41 H new ATOM 0 HB ILE A 11 6.012 -2.193 12.812 1.00 61.50 H new ATOM 0 HG12 ILE A 11 5.238 -3.370 10.110 1.00 30.11 H new ATOM 0 HG13 ILE A 11 6.811 -3.498 10.871 1.00 30.11 H new ATOM 0 HG21 ILE A 11 3.655 -2.919 12.765 1.00 71.04 H new ATOM 0 HG22 ILE A 11 3.802 -1.146 12.817 1.00 71.04 H new ATOM 0 HG23 ILE A 11 3.394 -1.960 11.288 1.00 71.04 H new ATOM 0 HD11 ILE A 11 5.533 -5.565 11.149 1.00 51.44 H new ATOM 0 HD12 ILE A 11 5.823 -4.795 12.727 1.00 51.44 H new ATOM 0 HD13 ILE A 11 4.225 -4.665 11.954 1.00 51.44 H new ATOM 156 N ARG A 12 6.467 0.879 12.695 1.00 60.21 N ATOM 157 CA ARG A 12 6.212 2.124 13.436 1.00 70.23 C ATOM 158 C ARG A 12 5.884 3.284 12.475 1.00 30.04 C ATOM 159 O ARG A 12 5.055 4.140 12.783 1.00 55.13 O ATOM 160 CB ARG A 12 7.418 2.503 14.309 1.00 32.53 C ATOM 161 CG ARG A 12 7.170 3.727 15.192 1.00 5.32 C ATOM 162 CD ARG A 12 8.404 4.119 15.996 1.00 74.53 C ATOM 163 NE ARG A 12 8.165 5.303 16.823 1.00 14.22 N ATOM 164 CZ ARG A 12 9.074 6.205 17.097 1.00 4.44 C ATOM 165 NH1 ARG A 12 10.242 6.156 16.543 1.00 15.42 N1+ ATOM 166 NH2 ARG A 12 8.789 7.184 17.890 1.00 41.11 N ATOM 0 H ARG A 12 7.371 0.448 12.889 1.00 60.21 H new ATOM 0 HA ARG A 12 5.351 1.948 14.081 1.00 70.23 H new ATOM 0 HB2 ARG A 12 7.679 1.655 14.942 1.00 32.53 H new ATOM 0 HB3 ARG A 12 8.276 2.697 13.665 1.00 32.53 H new ATOM 0 HG2 ARG A 12 6.864 4.567 14.568 1.00 5.32 H new ATOM 0 HG3 ARG A 12 6.345 3.519 15.874 1.00 5.32 H new ATOM 0 HD2 ARG A 12 8.702 3.286 16.633 1.00 74.53 H new ATOM 0 HD3 ARG A 12 9.234 4.313 15.316 1.00 74.53 H new ATOM 0 HE ARG A 12 7.231 5.434 17.211 1.00 14.22 H new ATOM 0 HH11 ARG A 12 10.463 5.409 15.885 1.00 15.42 H new ATOM 0 HH12 ARG A 12 10.942 6.864 16.764 1.00 15.42 H new ATOM 0 HH21 ARG A 12 7.858 7.253 18.301 1.00 41.11 H new ATOM 0 HH22 ARG A 12 9.495 7.888 18.105 1.00 41.11 H new ATOM 180 N ASP A 13 6.527 3.294 11.304 1.00 71.25 N ATOM 181 CA ASP A 13 6.262 4.310 10.275 1.00 31.35 C ATOM 182 C ASP A 13 4.766 4.331 9.907 1.00 33.34 C ATOM 183 O ASP A 13 4.177 5.391 9.670 1.00 52.15 O ATOM 184 CB ASP A 13 7.112 4.010 9.031 1.00 52.24 C ATOM 185 CG ASP A 13 7.099 5.139 8.014 1.00 4.12 C ATOM 186 OD1 ASP A 13 8.080 5.911 7.969 1.00 3.25 O ATOM 187 OD2 ASP A 13 6.116 5.258 7.251 1.00 5.31 O1- ATOM 0 H ASP A 13 7.237 2.610 11.042 1.00 71.25 H new ATOM 0 HA ASP A 13 6.529 5.291 10.667 1.00 31.35 H new ATOM 0 HB2 ASP A 13 8.140 3.818 9.338 1.00 52.24 H new ATOM 0 HB3 ASP A 13 6.745 3.099 8.558 1.00 52.24 H new ATOM 192 N ARG A 14 4.157 3.144 9.895 1.00 51.20 N ATOM 193 CA ARG A 14 2.723 2.993 9.625 1.00 1.03 C ATOM 194 C ARG A 14 1.888 3.593 10.772 1.00 52.30 C ATOM 195 O ARG A 14 0.790 4.105 10.559 1.00 1.12 O ATOM 196 CB ARG A 14 2.376 1.503 9.447 1.00 63.51 C ATOM 197 CG ARG A 14 3.257 0.776 8.428 1.00 64.31 C ATOM 198 CD ARG A 14 3.011 1.265 7.002 1.00 2.41 C ATOM 199 NE ARG A 14 1.701 0.854 6.497 1.00 52.50 N ATOM 200 CZ ARG A 14 0.949 1.579 5.713 1.00 12.10 C ATOM 201 NH1 ARG A 14 1.316 2.770 5.351 1.00 22.13 N1+ ATOM 202 NH2 ARG A 14 -0.176 1.102 5.291 1.00 70.33 N ATOM 0 H ARG A 14 4.640 2.263 10.071 1.00 51.20 H new ATOM 0 HA ARG A 14 2.486 3.530 8.706 1.00 1.03 H new ATOM 0 HB2 ARG A 14 2.464 1.002 10.411 1.00 63.51 H new ATOM 0 HB3 ARG A 14 1.334 1.418 9.138 1.00 63.51 H new ATOM 0 HG2 ARG A 14 4.306 0.924 8.685 1.00 64.31 H new ATOM 0 HG3 ARG A 14 3.064 -0.295 8.482 1.00 64.31 H new ATOM 0 HD2 ARG A 14 3.085 2.352 6.974 1.00 2.41 H new ATOM 0 HD3 ARG A 14 3.790 0.876 6.346 1.00 2.41 H new ATOM 0 HE ARG A 14 1.351 -0.062 6.777 1.00 52.50 H new ATOM 0 HH11 ARG A 14 2.203 3.152 5.679 1.00 22.13 H new ATOM 0 HH12 ARG A 14 0.718 3.324 4.738 1.00 22.13 H new ATOM 0 HH21 ARG A 14 -0.470 0.166 5.571 1.00 70.33 H new ATOM 0 HH22 ARG A 14 -0.769 1.661 4.678 1.00 70.33 H new ATOM 216 N LEU A 15 2.420 3.515 11.991 1.00 64.14 N ATOM 217 CA LEU A 15 1.751 4.079 13.172 1.00 53.15 C ATOM 218 C LEU A 15 1.740 5.623 13.111 1.00 11.24 C ATOM 219 O LEU A 15 0.716 6.259 13.367 1.00 11.22 O ATOM 220 CB LEU A 15 2.457 3.599 14.461 1.00 35.32 C ATOM 221 CG LEU A 15 1.548 3.325 15.679 1.00 11.14 C ATOM 222 CD1 LEU A 15 2.389 3.010 16.914 1.00 71.23 C ATOM 223 CD2 LEU A 15 0.607 4.494 15.956 1.00 75.31 C ATOM 0 H LEU A 15 3.314 3.067 12.191 1.00 64.14 H new ATOM 0 HA LEU A 15 0.718 3.731 13.183 1.00 53.15 H new ATOM 0 HB2 LEU A 15 3.005 2.685 14.231 1.00 35.32 H new ATOM 0 HB3 LEU A 15 3.194 4.349 14.747 1.00 35.32 H new ATOM 0 HG LEU A 15 0.933 2.457 15.442 1.00 11.14 H new ATOM 0 HD11 LEU A 15 1.732 2.820 17.763 1.00 71.23 H new ATOM 0 HD12 LEU A 15 3.000 2.128 16.723 1.00 71.23 H new ATOM 0 HD13 LEU A 15 3.036 3.858 17.139 1.00 71.23 H new ATOM 0 HD21 LEU A 15 -0.016 4.263 16.820 1.00 75.31 H new ATOM 0 HD22 LEU A 15 1.191 5.391 16.160 1.00 75.31 H new ATOM 0 HD23 LEU A 15 -0.028 4.664 15.086 1.00 75.31 H new ATOM 235 N LEU A 16 2.884 6.217 12.752 1.00 24.14 N ATOM 236 CA LEU A 16 3.029 7.686 12.713 1.00 22.53 C ATOM 237 C LEU A 16 1.976 8.363 11.818 1.00 60.12 C ATOM 238 O LEU A 16 1.462 9.429 12.155 1.00 74.32 O ATOM 239 CB LEU A 16 4.445 8.084 12.247 1.00 41.12 C ATOM 240 CG LEU A 16 5.512 8.188 13.355 1.00 62.22 C ATOM 241 CD1 LEU A 16 5.133 9.264 14.371 1.00 35.21 C ATOM 242 CD2 LEU A 16 5.722 6.844 14.047 1.00 73.43 C ATOM 0 H LEU A 16 3.726 5.707 12.483 1.00 24.14 H new ATOM 0 HA LEU A 16 2.868 8.039 13.732 1.00 22.53 H new ATOM 0 HB2 LEU A 16 4.783 7.355 11.511 1.00 41.12 H new ATOM 0 HB3 LEU A 16 4.382 9.046 11.738 1.00 41.12 H new ATOM 0 HG LEU A 16 6.453 8.474 12.886 1.00 62.22 H new ATOM 0 HD11 LEU A 16 5.899 9.321 15.144 1.00 35.21 H new ATOM 0 HD12 LEU A 16 5.053 10.228 13.868 1.00 35.21 H new ATOM 0 HD13 LEU A 16 4.176 9.013 14.827 1.00 35.21 H new ATOM 0 HD21 LEU A 16 6.480 6.949 14.823 1.00 73.43 H new ATOM 0 HD22 LEU A 16 4.785 6.516 14.497 1.00 73.43 H new ATOM 0 HD23 LEU A 16 6.051 6.106 13.316 1.00 73.43 H new ATOM 254 N GLN A 17 1.655 7.749 10.685 1.00 3.03 N ATOM 255 CA GLN A 17 0.660 8.315 9.764 1.00 74.44 C ATOM 256 C GLN A 17 -0.771 8.188 10.319 1.00 2.32 C ATOM 257 O GLN A 17 -1.696 8.838 9.827 1.00 30.33 O ATOM 258 CB GLN A 17 0.735 7.627 8.392 1.00 40.52 C ATOM 259 CG GLN A 17 0.455 6.129 8.444 1.00 73.32 C ATOM 260 CD GLN A 17 0.228 5.513 7.076 1.00 0.44 C ATOM 261 OE1 GLN A 17 0.752 5.980 6.074 1.00 73.23 O ATOM 262 NE2 GLN A 17 -0.548 4.448 7.028 1.00 20.54 N ATOM 0 H GLN A 17 2.062 6.866 10.378 1.00 3.03 H new ATOM 0 HA GLN A 17 0.895 9.374 9.655 1.00 74.44 H new ATOM 0 HB2 GLN A 17 0.019 8.099 7.719 1.00 40.52 H new ATOM 0 HB3 GLN A 17 1.726 7.788 7.968 1.00 40.52 H new ATOM 0 HG2 GLN A 17 1.293 5.626 8.927 1.00 73.32 H new ATOM 0 HG3 GLN A 17 -0.423 5.952 9.065 1.00 73.32 H new ATOM 0 HE21 GLN A 17 -0.969 4.085 7.883 1.00 20.54 H new ATOM 0 HE22 GLN A 17 -0.727 3.987 6.136 1.00 20.54 H new ATOM 271 N ALA A 18 -0.951 7.353 11.339 1.00 15.14 N ATOM 272 CA ALA A 18 -2.280 7.076 11.888 1.00 32.43 C ATOM 273 C ALA A 18 -2.674 8.042 13.017 1.00 14.40 C ATOM 274 O ALA A 18 -3.862 8.290 13.233 1.00 64.34 O ATOM 275 CB ALA A 18 -2.338 5.638 12.389 1.00 44.32 C ATOM 0 H ALA A 18 -0.193 6.854 11.805 1.00 15.14 H new ATOM 0 HA ALA A 18 -2.998 7.224 11.082 1.00 32.43 H new ATOM 0 HB1 ALA A 18 -3.328 5.435 12.797 1.00 44.32 H new ATOM 0 HB2 ALA A 18 -2.139 4.956 11.562 1.00 44.32 H new ATOM 0 HB3 ALA A 18 -1.588 5.493 13.167 1.00 44.32 H new ATOM 281 N ILE A 19 -1.688 8.594 13.729 1.00 32.41 N ATOM 282 CA ILE A 19 -1.965 9.460 14.892 1.00 40.03 C ATOM 283 C ILE A 19 -0.998 10.657 14.999 1.00 25.54 C ATOM 284 O ILE A 19 0.035 10.711 14.331 1.00 41.25 O ATOM 285 CB ILE A 19 -1.894 8.665 16.226 1.00 61.34 C ATOM 286 CG1 ILE A 19 -0.496 8.050 16.413 1.00 22.21 C ATOM 287 CG2 ILE A 19 -2.977 7.585 16.281 1.00 51.32 C ATOM 288 CD1 ILE A 19 -0.309 7.344 17.740 1.00 72.43 C ATOM 0 H ILE A 19 -0.697 8.462 13.528 1.00 32.41 H new ATOM 0 HA ILE A 19 -2.974 9.838 14.728 1.00 40.03 H new ATOM 0 HB ILE A 19 -2.076 9.360 17.046 1.00 61.34 H new ATOM 0 HG12 ILE A 19 -0.311 7.341 15.606 1.00 22.21 H new ATOM 0 HG13 ILE A 19 0.252 8.838 16.323 1.00 22.21 H new ATOM 0 HG21 ILE A 19 -2.904 7.044 17.225 1.00 51.32 H new ATOM 0 HG22 ILE A 19 -3.960 8.051 16.205 1.00 51.32 H new ATOM 0 HG23 ILE A 19 -2.840 6.890 15.453 1.00 51.32 H new ATOM 0 HD11 ILE A 19 0.701 6.937 17.797 1.00 72.43 H new ATOM 0 HD12 ILE A 19 -0.461 8.053 18.554 1.00 72.43 H new ATOM 0 HD13 ILE A 19 -1.032 6.533 17.826 1.00 72.43 H new ATOM 300 N ASP A 20 -1.365 11.623 15.844 1.00 4.21 N ATOM 301 CA ASP A 20 -0.473 12.728 16.222 1.00 62.11 C ATOM 302 C ASP A 20 0.445 12.318 17.390 1.00 30.55 C ATOM 303 O ASP A 20 0.199 11.306 18.045 1.00 63.44 O ATOM 304 CB ASP A 20 -1.293 13.964 16.620 1.00 45.12 C ATOM 305 CG ASP A 20 -1.890 14.686 15.429 1.00 63.23 C ATOM 306 OD1 ASP A 20 -3.078 15.059 15.482 1.00 25.04 O ATOM 307 OD2 ASP A 20 -1.172 14.894 14.432 1.00 73.50 O1- ATOM 0 H ASP A 20 -2.284 11.664 16.285 1.00 4.21 H new ATOM 0 HA ASP A 20 0.147 12.970 15.359 1.00 62.11 H new ATOM 0 HB2 ASP A 20 -2.095 13.660 17.293 1.00 45.12 H new ATOM 0 HB3 ASP A 20 -0.656 14.653 17.174 1.00 45.12 H new ATOM 312 N PRO A 21 1.529 13.084 17.657 1.00 14.54 N ATOM 313 CA PRO A 21 2.398 12.862 18.836 1.00 21.42 C ATOM 314 C PRO A 21 1.621 12.758 20.169 1.00 42.02 C ATOM 315 O PRO A 21 2.108 12.170 21.136 1.00 23.31 O ATOM 316 CB PRO A 21 3.302 14.103 18.837 1.00 30.23 C ATOM 317 CG PRO A 21 3.373 14.514 17.405 1.00 45.21 C ATOM 318 CD PRO A 21 2.020 14.201 16.819 1.00 64.24 C ATOM 0 HA PRO A 21 2.931 11.914 18.765 1.00 21.42 H new ATOM 0 HB2 PRO A 21 2.886 14.897 19.458 1.00 30.23 H new ATOM 0 HB3 PRO A 21 4.291 13.873 19.234 1.00 30.23 H new ATOM 0 HG2 PRO A 21 3.602 15.576 17.314 1.00 45.21 H new ATOM 0 HG3 PRO A 21 4.161 13.972 16.881 1.00 45.21 H new ATOM 0 HD2 PRO A 21 1.353 15.062 16.867 1.00 64.24 H new ATOM 0 HD3 PRO A 21 2.094 13.913 15.770 1.00 64.24 H new ATOM 326 N GLN A 22 0.419 13.341 20.216 1.00 21.54 N ATOM 327 CA GLN A 22 -0.458 13.248 21.398 1.00 34.31 C ATOM 328 C GLN A 22 -1.311 11.955 21.372 1.00 44.02 C ATOM 329 O GLN A 22 -2.213 11.767 22.188 1.00 44.41 O ATOM 330 CB GLN A 22 -1.351 14.504 21.477 1.00 61.55 C ATOM 331 CG GLN A 22 -2.283 14.564 22.689 1.00 55.50 C ATOM 332 CD GLN A 22 -1.552 14.425 24.016 1.00 23.41 C ATOM 333 OE1 GLN A 22 -1.116 15.407 24.609 1.00 70.51 O ATOM 334 NE2 GLN A 22 -1.424 13.206 24.498 1.00 14.22 N ATOM 0 H GLN A 22 0.026 13.885 19.448 1.00 21.54 H new ATOM 0 HA GLN A 22 0.165 13.199 22.291 1.00 34.31 H new ATOM 0 HB2 GLN A 22 -0.710 15.386 21.487 1.00 61.55 H new ATOM 0 HB3 GLN A 22 -1.955 14.559 20.571 1.00 61.55 H new ATOM 0 HG2 GLN A 22 -2.823 15.511 22.677 1.00 55.50 H new ATOM 0 HG3 GLN A 22 -3.027 13.771 22.607 1.00 55.50 H new ATOM 0 HE21 GLN A 22 -1.798 12.411 23.980 1.00 14.22 H new ATOM 0 HE22 GLN A 22 -0.951 13.057 25.389 1.00 14.22 H new ATOM 343 N SER A 23 -1.002 11.063 20.432 1.00 42.42 N ATOM 344 CA SER A 23 -1.630 9.729 20.350 1.00 61.55 C ATOM 345 C SER A 23 -3.136 9.770 20.027 1.00 42.34 C ATOM 346 O SER A 23 -3.863 8.828 20.348 1.00 33.13 O ATOM 347 CB SER A 23 -1.406 8.960 21.663 1.00 51.54 C ATOM 348 OG SER A 23 -0.022 8.814 21.947 1.00 42.33 O ATOM 0 H SER A 23 -0.311 11.237 19.702 1.00 42.42 H new ATOM 0 HA SER A 23 -1.146 9.217 19.518 1.00 61.55 H new ATOM 0 HB2 SER A 23 -1.894 9.487 22.483 1.00 51.54 H new ATOM 0 HB3 SER A 23 -1.871 7.977 21.595 1.00 51.54 H new ATOM 0 HG SER A 23 0.501 9.047 21.152 1.00 42.33 H new ATOM 354 N ASN A 24 -3.599 10.829 19.366 1.00 0.32 N ATOM 355 CA ASN A 24 -5.016 10.932 18.970 1.00 12.21 C ATOM 356 C ASN A 24 -5.214 10.611 17.474 1.00 32.15 C ATOM 357 O ASN A 24 -4.282 10.715 16.677 1.00 42.32 O ATOM 358 CB ASN A 24 -5.573 12.321 19.301 1.00 21.11 C ATOM 359 CG ASN A 24 -4.739 13.439 18.712 1.00 14.31 C ATOM 360 OD1 ASN A 24 -3.773 13.914 19.468 1.00 41.54 O flip ATOM 361 ND2 ASN A 24 -4.968 13.878 17.594 1.00 44.41 N flip ATOM 0 H ASN A 24 -3.025 11.626 19.092 1.00 0.32 H new ATOM 0 HA ASN A 24 -5.570 10.189 19.544 1.00 12.21 H new ATOM 0 HB2 ASN A 24 -6.594 12.398 18.926 1.00 21.11 H new ATOM 0 HB3 ASN A 24 -5.621 12.440 20.383 1.00 21.11 H new ATOM 0 HD21 ASN A 24 -5.726 13.484 17.037 1.00 44.41 H new ATOM 0 HD22 ASN A 24 -4.401 14.638 17.219 1.00 44.41 H new ATOM 368 N ILE A 25 -6.442 10.233 17.111 1.00 22.05 N ATOM 369 CA ILE A 25 -6.770 9.770 15.748 1.00 45.15 C ATOM 370 C ILE A 25 -6.468 10.813 14.656 1.00 53.15 C ATOM 371 O ILE A 25 -7.010 11.918 14.667 1.00 64.14 O ATOM 372 CB ILE A 25 -8.270 9.375 15.646 1.00 33.24 C ATOM 373 CG1 ILE A 25 -8.584 8.184 16.565 1.00 53.04 C ATOM 374 CG2 ILE A 25 -8.662 9.056 14.199 1.00 4.45 C ATOM 375 CD1 ILE A 25 -7.920 6.890 16.142 1.00 71.54 C ATOM 0 H ILE A 25 -7.239 10.237 17.747 1.00 22.05 H new ATOM 0 HA ILE A 25 -6.129 8.906 15.574 1.00 45.15 H new ATOM 0 HB ILE A 25 -8.862 10.229 15.975 1.00 33.24 H new ATOM 0 HG12 ILE A 25 -8.269 8.428 17.580 1.00 53.04 H new ATOM 0 HG13 ILE A 25 -9.663 8.035 16.594 1.00 53.04 H new ATOM 0 HG21 ILE A 25 -9.717 8.783 14.159 1.00 4.45 H new ATOM 0 HG22 ILE A 25 -8.490 9.932 13.574 1.00 4.45 H new ATOM 0 HG23 ILE A 25 -8.058 8.225 13.833 1.00 4.45 H new ATOM 0 HD11 ILE A 25 -8.190 6.097 16.840 1.00 71.54 H new ATOM 0 HD12 ILE A 25 -8.254 6.620 15.140 1.00 71.54 H new ATOM 0 HD13 ILE A 25 -6.838 7.020 16.141 1.00 71.54 H new ATOM 387 N ARG A 26 -5.605 10.441 13.710 1.00 20.32 N ATOM 388 CA ARG A 26 -5.386 11.233 12.489 1.00 20.30 C ATOM 389 C ARG A 26 -5.945 10.511 11.254 1.00 13.25 C ATOM 390 O ARG A 26 -6.596 11.123 10.405 1.00 53.25 O ATOM 391 CB ARG A 26 -3.886 11.515 12.289 1.00 32.02 C ATOM 392 CG ARG A 26 -3.418 12.828 12.903 1.00 2.10 C ATOM 393 CD ARG A 26 -4.084 14.018 12.222 1.00 50.43 C ATOM 394 NE ARG A 26 -3.600 15.298 12.727 1.00 22.52 N ATOM 395 CZ ARG A 26 -4.019 16.453 12.291 1.00 44.21 C ATOM 396 NH1 ARG A 26 -4.932 16.512 11.374 1.00 32.51 N1+ ATOM 397 NH2 ARG A 26 -3.529 17.548 12.777 1.00 13.52 N ATOM 0 H ARG A 26 -5.041 9.592 13.762 1.00 20.32 H new ATOM 0 HA ARG A 26 -5.915 12.178 12.609 1.00 20.30 H new ATOM 0 HB2 ARG A 26 -3.311 10.697 12.723 1.00 32.02 H new ATOM 0 HB3 ARG A 26 -3.668 11.526 11.221 1.00 32.02 H new ATOM 0 HG2 ARG A 26 -3.649 12.838 13.968 1.00 2.10 H new ATOM 0 HG3 ARG A 26 -2.335 12.911 12.811 1.00 2.10 H new ATOM 0 HD2 ARG A 26 -3.905 13.964 11.148 1.00 50.43 H new ATOM 0 HD3 ARG A 26 -5.162 13.959 12.368 1.00 50.43 H new ATOM 0 HE ARG A 26 -2.894 15.289 13.463 1.00 22.52 H new ATOM 0 HH11 ARG A 26 -5.326 15.653 10.990 1.00 32.51 H new ATOM 0 HH12 ARG A 26 -5.257 17.418 11.036 1.00 32.51 H new ATOM 0 HH21 ARG A 26 -2.813 17.508 13.503 1.00 13.52 H new ATOM 0 HH22 ARG A 26 -3.858 18.450 12.434 1.00 13.52 H new ATOM 411 N ASN A 27 -5.685 9.209 11.163 1.00 73.10 N ATOM 412 CA ASN A 27 -6.168 8.388 10.047 1.00 42.20 C ATOM 413 C ASN A 27 -6.722 7.045 10.548 1.00 23.21 C ATOM 414 O ASN A 27 -5.963 6.165 10.955 1.00 61.55 O ATOM 415 CB ASN A 27 -5.041 8.147 9.031 1.00 53.25 C ATOM 416 CG ASN A 27 -4.699 9.390 8.227 1.00 14.44 C ATOM 417 OD1 ASN A 27 -5.564 10.197 7.914 1.00 61.21 O ATOM 418 ND2 ASN A 27 -3.438 9.556 7.883 1.00 20.11 N ATOM 0 H ASN A 27 -5.138 8.693 11.853 1.00 73.10 H new ATOM 0 HA ASN A 27 -6.977 8.931 9.557 1.00 42.20 H new ATOM 0 HB2 ASN A 27 -4.150 7.804 9.557 1.00 53.25 H new ATOM 0 HB3 ASN A 27 -5.336 7.349 8.350 1.00 53.25 H new ATOM 0 HD21 ASN A 27 -3.161 10.374 7.341 1.00 20.11 H new ATOM 0 HD22 ASN A 27 -2.739 8.866 8.159 1.00 20.11 H new ATOM 425 N MET A 28 -8.044 6.893 10.509 1.00 55.32 N ATOM 426 CA MET A 28 -8.703 5.664 10.971 1.00 14.41 C ATOM 427 C MET A 28 -8.283 4.449 10.124 1.00 34.43 C ATOM 428 O MET A 28 -8.005 3.373 10.656 1.00 0.41 O ATOM 429 CB MET A 28 -10.228 5.841 10.930 1.00 34.01 C ATOM 430 CG MET A 28 -11.013 4.615 11.386 1.00 42.45 C ATOM 431 SD MET A 28 -12.797 4.879 11.335 1.00 42.02 S ATOM 432 CE MET A 28 -13.400 3.276 11.865 1.00 34.34 C ATOM 0 H MET A 28 -8.686 7.606 10.162 1.00 55.32 H new ATOM 0 HA MET A 28 -8.390 5.477 11.998 1.00 14.41 H new ATOM 0 HB2 MET A 28 -10.501 6.688 11.559 1.00 34.01 H new ATOM 0 HB3 MET A 28 -10.526 6.091 9.912 1.00 34.01 H new ATOM 0 HG2 MET A 28 -10.756 3.767 10.752 1.00 42.45 H new ATOM 0 HG3 MET A 28 -10.716 4.355 12.402 1.00 42.45 H new ATOM 0 HE1 MET A 28 -14.490 3.285 11.883 1.00 34.34 H new ATOM 0 HE2 MET A 28 -13.055 2.510 11.171 1.00 34.34 H new ATOM 0 HE3 MET A 28 -13.022 3.057 12.864 1.00 34.34 H new ATOM 442 N VAL A 29 -8.231 4.633 8.805 1.00 3.40 N ATOM 443 CA VAL A 29 -7.824 3.562 7.887 1.00 70.20 C ATOM 444 C VAL A 29 -6.382 3.110 8.161 1.00 55.45 C ATOM 445 O VAL A 29 -6.088 1.915 8.174 1.00 72.32 O ATOM 446 CB VAL A 29 -7.949 4.009 6.406 1.00 11.11 C ATOM 447 CG1 VAL A 29 -7.519 2.890 5.457 1.00 12.42 C ATOM 448 CG2 VAL A 29 -9.377 4.458 6.099 1.00 12.12 C ATOM 0 H VAL A 29 -8.465 5.513 8.345 1.00 3.40 H new ATOM 0 HA VAL A 29 -8.498 2.723 8.062 1.00 70.20 H new ATOM 0 HB VAL A 29 -7.281 4.856 6.251 1.00 11.11 H new ATOM 0 HG11 VAL A 29 -7.616 3.230 4.426 1.00 12.42 H new ATOM 0 HG12 VAL A 29 -6.481 2.624 5.655 1.00 12.42 H new ATOM 0 HG13 VAL A 29 -8.153 2.017 5.613 1.00 12.42 H new ATOM 0 HG21 VAL A 29 -9.445 4.768 5.056 1.00 12.12 H new ATOM 0 HG22 VAL A 29 -10.065 3.631 6.278 1.00 12.12 H new ATOM 0 HG23 VAL A 29 -9.642 5.296 6.744 1.00 12.12 H new ATOM 458 N ALA A 30 -5.496 4.076 8.413 1.00 55.12 N ATOM 459 CA ALA A 30 -4.084 3.781 8.680 1.00 42.52 C ATOM 460 C ALA A 30 -3.926 2.867 9.902 1.00 42.24 C ATOM 461 O ALA A 30 -3.096 1.958 9.907 1.00 24.51 O ATOM 462 CB ALA A 30 -3.299 5.072 8.871 1.00 33.34 C ATOM 0 H ALA A 30 -5.730 5.069 8.438 1.00 55.12 H new ATOM 0 HA ALA A 30 -3.682 3.252 7.816 1.00 42.52 H new ATOM 0 HB1 ALA A 30 -2.253 4.836 9.068 1.00 33.34 H new ATOM 0 HB2 ALA A 30 -3.370 5.678 7.968 1.00 33.34 H new ATOM 0 HB3 ALA A 30 -3.711 5.627 9.714 1.00 33.34 H new ATOM 468 N VAL A 31 -4.730 3.112 10.936 1.00 23.03 N ATOM 469 CA VAL A 31 -4.768 2.229 12.104 1.00 54.21 C ATOM 470 C VAL A 31 -5.145 0.798 11.695 1.00 23.23 C ATOM 471 O VAL A 31 -4.453 -0.161 12.037 1.00 51.22 O ATOM 472 CB VAL A 31 -5.771 2.746 13.171 1.00 4.44 C ATOM 473 CG1 VAL A 31 -6.041 1.686 14.234 1.00 21.52 C ATOM 474 CG2 VAL A 31 -5.247 4.020 13.826 1.00 24.30 C ATOM 0 H VAL A 31 -5.362 3.911 10.990 1.00 23.03 H new ATOM 0 HA VAL A 31 -3.769 2.225 12.539 1.00 54.21 H new ATOM 0 HB VAL A 31 -6.710 2.969 12.663 1.00 4.44 H new ATOM 0 HG11 VAL A 31 -6.747 2.077 14.967 1.00 21.52 H new ATOM 0 HG12 VAL A 31 -6.462 0.798 13.763 1.00 21.52 H new ATOM 0 HG13 VAL A 31 -5.108 1.425 14.733 1.00 21.52 H new ATOM 0 HG21 VAL A 31 -5.963 4.367 14.571 1.00 24.30 H new ATOM 0 HG22 VAL A 31 -4.292 3.814 14.309 1.00 24.30 H new ATOM 0 HG23 VAL A 31 -5.111 4.790 13.067 1.00 24.30 H new ATOM 484 N LEU A 32 -6.229 0.667 10.933 1.00 55.35 N ATOM 485 CA LEU A 32 -6.700 -0.646 10.476 1.00 32.44 C ATOM 486 C LEU A 32 -5.598 -1.397 9.711 1.00 24.32 C ATOM 487 O LEU A 32 -5.504 -2.627 9.786 1.00 52.04 O ATOM 488 CB LEU A 32 -7.945 -0.486 9.592 1.00 25.11 C ATOM 489 CG LEU A 32 -9.084 0.347 10.210 1.00 13.53 C ATOM 490 CD1 LEU A 32 -10.318 0.325 9.314 1.00 51.42 C ATOM 491 CD2 LEU A 32 -9.422 -0.143 11.617 1.00 10.24 C ATOM 0 H LEU A 32 -6.800 1.451 10.617 1.00 55.35 H new ATOM 0 HA LEU A 32 -6.962 -1.235 11.355 1.00 32.44 H new ATOM 0 HB2 LEU A 32 -7.646 -0.023 8.652 1.00 25.11 H new ATOM 0 HB3 LEU A 32 -8.330 -1.477 9.351 1.00 25.11 H new ATOM 0 HG LEU A 32 -8.741 1.379 10.290 1.00 13.53 H new ATOM 0 HD11 LEU A 32 -11.110 0.920 9.770 1.00 51.42 H new ATOM 0 HD12 LEU A 32 -10.067 0.742 8.339 1.00 51.42 H new ATOM 0 HD13 LEU A 32 -10.661 -0.702 9.192 1.00 51.42 H new ATOM 0 HD21 LEU A 32 -10.229 0.463 12.029 1.00 10.24 H new ATOM 0 HD22 LEU A 32 -9.737 -1.186 11.573 1.00 10.24 H new ATOM 0 HD23 LEU A 32 -8.542 -0.056 12.254 1.00 10.24 H new ATOM 503 N GLU A 33 -4.769 -0.647 8.981 1.00 21.13 N ATOM 504 CA GLU A 33 -3.612 -1.217 8.281 1.00 34.20 C ATOM 505 C GLU A 33 -2.581 -1.778 9.274 1.00 5.24 C ATOM 506 O GLU A 33 -2.092 -2.896 9.111 1.00 0.44 O ATOM 507 CB GLU A 33 -2.948 -0.155 7.389 1.00 61.31 C ATOM 508 CG GLU A 33 -3.878 0.454 6.341 1.00 1.42 C ATOM 509 CD GLU A 33 -3.170 1.462 5.442 1.00 72.42 C ATOM 510 OE1 GLU A 33 -2.934 2.603 5.882 1.00 34.45 O ATOM 511 OE2 GLU A 33 -2.833 1.110 4.291 1.00 25.42 O1- ATOM 0 H GLU A 33 -4.877 0.360 8.858 1.00 21.13 H new ATOM 0 HA GLU A 33 -3.972 -2.036 7.658 1.00 34.20 H new ATOM 0 HB2 GLU A 33 -2.560 0.643 8.022 1.00 61.31 H new ATOM 0 HB3 GLU A 33 -2.094 -0.605 6.883 1.00 61.31 H new ATOM 0 HG2 GLU A 33 -4.298 -0.343 5.727 1.00 1.42 H new ATOM 0 HG3 GLU A 33 -4.713 0.944 6.842 1.00 1.42 H new ATOM 518 N VAL A 34 -2.260 -0.991 10.303 1.00 4.52 N ATOM 519 CA VAL A 34 -1.287 -1.403 11.324 1.00 43.03 C ATOM 520 C VAL A 34 -1.735 -2.687 12.049 1.00 24.01 C ATOM 521 O VAL A 34 -0.975 -3.650 12.156 1.00 2.31 O ATOM 522 CB VAL A 34 -1.056 -0.280 12.370 1.00 12.24 C ATOM 523 CG1 VAL A 34 -0.009 -0.700 13.401 1.00 0.35 C ATOM 524 CG2 VAL A 34 -0.647 1.025 11.688 1.00 61.34 C ATOM 0 H VAL A 34 -2.658 -0.064 10.454 1.00 4.52 H new ATOM 0 HA VAL A 34 -0.352 -1.602 10.801 1.00 43.03 H new ATOM 0 HB VAL A 34 -1.998 -0.111 12.892 1.00 12.24 H new ATOM 0 HG11 VAL A 34 0.134 0.104 14.122 1.00 0.35 H new ATOM 0 HG12 VAL A 34 -0.348 -1.597 13.920 1.00 0.35 H new ATOM 0 HG13 VAL A 34 0.935 -0.908 12.897 1.00 0.35 H new ATOM 0 HG21 VAL A 34 -0.491 1.796 12.442 1.00 61.34 H new ATOM 0 HG22 VAL A 34 0.277 0.870 11.131 1.00 61.34 H new ATOM 0 HG23 VAL A 34 -1.435 1.340 11.004 1.00 61.34 H new ATOM 534 N ILE A 35 -2.978 -2.703 12.529 1.00 11.13 N ATOM 535 CA ILE A 35 -3.515 -3.871 13.241 1.00 74.34 C ATOM 536 C ILE A 35 -3.474 -5.136 12.359 1.00 41.04 C ATOM 537 O ILE A 35 -3.021 -6.194 12.798 1.00 52.02 O ATOM 538 CB ILE A 35 -4.969 -3.620 13.748 1.00 60.25 C ATOM 539 CG1 ILE A 35 -4.977 -2.693 14.984 1.00 14.21 C ATOM 540 CG2 ILE A 35 -5.679 -4.937 14.075 1.00 21.45 C ATOM 541 CD1 ILE A 35 -4.445 -1.300 14.733 1.00 23.14 C ATOM 0 H ILE A 35 -3.633 -1.926 12.440 1.00 11.13 H new ATOM 0 HA ILE A 35 -2.875 -4.032 14.108 1.00 74.34 H new ATOM 0 HB ILE A 35 -5.512 -3.127 12.941 1.00 60.25 H new ATOM 0 HG12 ILE A 35 -5.999 -2.615 15.356 1.00 14.21 H new ATOM 0 HG13 ILE A 35 -4.385 -3.157 15.773 1.00 14.21 H new ATOM 0 HG21 ILE A 35 -6.690 -4.728 14.426 1.00 21.45 H new ATOM 0 HG22 ILE A 35 -5.726 -5.557 13.180 1.00 21.45 H new ATOM 0 HG23 ILE A 35 -5.127 -5.465 14.853 1.00 21.45 H new ATOM 0 HD11 ILE A 35 -4.489 -0.722 15.656 1.00 23.14 H new ATOM 0 HD12 ILE A 35 -3.411 -1.361 14.392 1.00 23.14 H new ATOM 0 HD13 ILE A 35 -5.050 -0.811 13.969 1.00 23.14 H new ATOM 553 N SER A 36 -3.921 -5.013 11.107 1.00 40.55 N ATOM 554 CA SER A 36 -3.942 -6.155 10.179 1.00 21.41 C ATOM 555 C SER A 36 -2.521 -6.610 9.815 1.00 54.02 C ATOM 556 O SER A 36 -2.263 -7.805 9.647 1.00 60.24 O ATOM 557 CB SER A 36 -4.729 -5.811 8.902 1.00 31.21 C ATOM 558 OG SER A 36 -4.120 -4.753 8.175 1.00 43.14 O ATOM 0 H SER A 36 -4.272 -4.141 10.711 1.00 40.55 H new ATOM 0 HA SER A 36 -4.443 -6.978 10.689 1.00 21.41 H new ATOM 0 HB2 SER A 36 -4.797 -6.695 8.268 1.00 31.21 H new ATOM 0 HB3 SER A 36 -5.748 -5.530 9.168 1.00 31.21 H new ATOM 0 HG SER A 36 -3.507 -4.263 8.762 1.00 43.14 H new ATOM 564 N SER A 37 -1.595 -5.658 9.684 1.00 11.41 N ATOM 565 CA SER A 37 -0.190 -5.989 9.410 1.00 44.31 C ATOM 566 C SER A 37 0.457 -6.694 10.609 1.00 34.14 C ATOM 567 O SER A 37 1.239 -7.624 10.438 1.00 10.54 O ATOM 568 CB SER A 37 0.623 -4.738 9.032 1.00 72.33 C ATOM 569 OG SER A 37 0.668 -3.784 10.085 1.00 4.00 O ATOM 0 H SER A 37 -1.787 -4.659 9.762 1.00 11.41 H new ATOM 0 HA SER A 37 -0.183 -6.670 8.559 1.00 44.31 H new ATOM 0 HB2 SER A 37 1.639 -5.034 8.769 1.00 72.33 H new ATOM 0 HB3 SER A 37 0.186 -4.277 8.146 1.00 72.33 H new ATOM 0 HG SER A 37 -0.037 -3.983 10.737 1.00 4.00 H new ATOM 575 N LEU A 38 0.101 -6.265 11.824 1.00 2.45 N ATOM 576 CA LEU A 38 0.670 -6.843 13.053 1.00 75.13 C ATOM 577 C LEU A 38 0.254 -8.310 13.250 1.00 72.24 C ATOM 578 O LEU A 38 0.954 -9.076 13.913 1.00 64.10 O ATOM 579 CB LEU A 38 0.259 -6.015 14.282 1.00 21.14 C ATOM 580 CG LEU A 38 0.910 -4.625 14.390 1.00 52.13 C ATOM 581 CD1 LEU A 38 0.391 -3.878 15.618 1.00 73.02 C ATOM 582 CD2 LEU A 38 2.433 -4.743 14.431 1.00 11.34 C ATOM 0 H LEU A 38 -0.577 -5.521 11.986 1.00 2.45 H new ATOM 0 HA LEU A 38 1.754 -6.816 12.944 1.00 75.13 H new ATOM 0 HB2 LEU A 38 -0.824 -5.890 14.269 1.00 21.14 H new ATOM 0 HB3 LEU A 38 0.504 -6.583 15.180 1.00 21.14 H new ATOM 0 HG LEU A 38 0.637 -4.052 13.504 1.00 52.13 H new ATOM 0 HD11 LEU A 38 0.865 -2.898 15.675 1.00 73.02 H new ATOM 0 HD12 LEU A 38 -0.689 -3.755 15.540 1.00 73.02 H new ATOM 0 HD13 LEU A 38 0.627 -4.447 16.517 1.00 73.02 H new ATOM 0 HD21 LEU A 38 2.873 -3.749 14.507 1.00 11.34 H new ATOM 0 HD22 LEU A 38 2.729 -5.338 15.295 1.00 11.34 H new ATOM 0 HD23 LEU A 38 2.785 -5.227 13.520 1.00 11.34 H new ATOM 594 N GLU A 39 -0.890 -8.697 12.686 1.00 22.22 N ATOM 595 CA GLU A 39 -1.345 -10.092 12.757 1.00 63.11 C ATOM 596 C GLU A 39 -0.405 -11.031 11.984 1.00 61.04 C ATOM 597 O GLU A 39 -0.136 -12.154 12.417 1.00 75.34 O ATOM 598 CB GLU A 39 -2.773 -10.230 12.209 1.00 21.52 C ATOM 599 CG GLU A 39 -3.818 -9.433 12.984 1.00 51.41 C ATOM 600 CD GLU A 39 -5.241 -9.817 12.605 1.00 64.14 C ATOM 601 OE1 GLU A 39 -5.802 -9.208 11.672 1.00 51.03 O ATOM 602 OE2 GLU A 39 -5.794 -10.748 13.236 1.00 25.21 O1- ATOM 0 H GLU A 39 -1.517 -8.073 12.178 1.00 22.22 H new ATOM 0 HA GLU A 39 -1.335 -10.380 13.808 1.00 63.11 H new ATOM 0 HB2 GLU A 39 -2.784 -9.907 11.168 1.00 21.52 H new ATOM 0 HB3 GLU A 39 -3.054 -11.283 12.219 1.00 21.52 H new ATOM 0 HG2 GLU A 39 -3.674 -9.593 14.052 1.00 51.41 H new ATOM 0 HG3 GLU A 39 -3.670 -8.369 12.799 1.00 51.41 H new ATOM 609 N LYS A 40 0.087 -10.568 10.837 1.00 12.50 N ATOM 610 CA LYS A 40 0.989 -11.371 10.003 1.00 15.41 C ATOM 611 C LYS A 40 2.463 -11.021 10.259 1.00 11.04 C ATOM 612 O LYS A 40 3.358 -11.804 9.940 1.00 33.21 O ATOM 613 CB LYS A 40 0.649 -11.168 8.520 1.00 31.11 C ATOM 614 CG LYS A 40 -0.742 -11.669 8.136 1.00 52.44 C ATOM 615 CD LYS A 40 -0.916 -13.168 8.402 1.00 72.03 C ATOM 616 CE LYS A 40 -0.154 -14.043 7.403 1.00 23.24 C ATOM 617 NZ LYS A 40 1.323 -13.854 7.467 1.00 74.32 N1+ ATOM 0 H LYS A 40 -0.121 -9.643 10.461 1.00 12.50 H new ATOM 0 HA LYS A 40 0.847 -12.418 10.270 1.00 15.41 H new ATOM 0 HB2 LYS A 40 0.722 -10.107 8.281 1.00 31.11 H new ATOM 0 HB3 LYS A 40 1.392 -11.684 7.912 1.00 31.11 H new ATOM 0 HG2 LYS A 40 -1.493 -11.113 8.697 1.00 52.44 H new ATOM 0 HG3 LYS A 40 -0.919 -11.467 7.080 1.00 52.44 H new ATOM 0 HD2 LYS A 40 -0.573 -13.395 9.411 1.00 72.03 H new ATOM 0 HD3 LYS A 40 -1.976 -13.418 8.362 1.00 72.03 H new ATOM 0 HE2 LYS A 40 -0.389 -15.090 7.594 1.00 23.24 H new ATOM 0 HE3 LYS A 40 -0.500 -13.817 6.394 1.00 23.24 H new ATOM 0 HZ1 LYS A 40 1.798 -14.734 7.183 1.00 74.32 H new ATOM 0 HZ2 LYS A 40 1.603 -13.086 6.824 1.00 74.32 H new ATOM 0 HZ3 LYS A 40 1.600 -13.609 8.439 1.00 74.32 H new ATOM 631 N TYR A 41 2.704 -9.841 10.825 1.00 40.34 N ATOM 632 CA TYR A 41 4.059 -9.389 11.173 1.00 13.33 C ATOM 633 C TYR A 41 4.053 -8.720 12.558 1.00 5.13 C ATOM 634 O TYR A 41 3.986 -7.495 12.669 1.00 71.11 O ATOM 635 CB TYR A 41 4.596 -8.409 10.109 1.00 24.54 C ATOM 636 CG TYR A 41 4.470 -8.927 8.684 1.00 24.51 C ATOM 637 CD1 TYR A 41 3.382 -8.574 7.889 1.00 24.13 C ATOM 638 CD2 TYR A 41 5.423 -9.787 8.141 1.00 73.52 C ATOM 639 CE1 TYR A 41 3.248 -9.059 6.603 1.00 41.44 C ATOM 640 CE2 TYR A 41 5.295 -10.271 6.853 1.00 74.01 C ATOM 641 CZ TYR A 41 4.205 -9.906 6.090 1.00 71.41 C ATOM 642 OH TYR A 41 4.070 -10.396 4.810 1.00 4.33 O ATOM 0 H TYR A 41 1.972 -9.169 11.057 1.00 40.34 H new ATOM 0 HA TYR A 41 4.717 -10.258 11.202 1.00 13.33 H new ATOM 0 HB2 TYR A 41 4.058 -7.465 10.192 1.00 24.54 H new ATOM 0 HB3 TYR A 41 5.645 -8.198 10.318 1.00 24.54 H new ATOM 0 HD1 TYR A 41 2.629 -7.909 8.286 1.00 24.13 H new ATOM 0 HD2 TYR A 41 6.275 -10.080 8.736 1.00 73.52 H new ATOM 0 HE1 TYR A 41 2.397 -8.775 6.002 1.00 41.44 H new ATOM 0 HE2 TYR A 41 6.045 -10.932 6.445 1.00 74.01 H new ATOM 0 HH TYR A 41 4.830 -10.978 4.601 1.00 4.33 H new ATOM 652 N PRO A 42 4.084 -9.520 13.640 1.00 50.10 N ATOM 653 CA PRO A 42 3.961 -9.001 15.009 1.00 5.51 C ATOM 654 C PRO A 42 5.258 -8.383 15.556 1.00 51.15 C ATOM 655 O PRO A 42 6.364 -8.831 15.239 1.00 53.11 O ATOM 656 CB PRO A 42 3.576 -10.250 15.807 1.00 24.23 C ATOM 657 CG PRO A 42 4.237 -11.374 15.080 1.00 55.33 C ATOM 658 CD PRO A 42 4.230 -10.990 13.618 1.00 35.22 C ATOM 0 HA PRO A 42 3.241 -8.185 15.067 1.00 5.51 H new ATOM 0 HB2 PRO A 42 3.923 -10.185 16.838 1.00 24.23 H new ATOM 0 HB3 PRO A 42 2.494 -10.381 15.842 1.00 24.23 H new ATOM 0 HG2 PRO A 42 5.255 -11.524 15.438 1.00 55.33 H new ATOM 0 HG3 PRO A 42 3.701 -12.310 15.240 1.00 55.33 H new ATOM 0 HD2 PRO A 42 5.151 -11.293 13.120 1.00 35.22 H new ATOM 0 HD3 PRO A 42 3.408 -11.466 13.083 1.00 35.22 H new ATOM 666 N ILE A 43 5.110 -7.353 16.392 1.00 1.22 N ATOM 667 CA ILE A 43 6.254 -6.723 17.055 1.00 2.22 C ATOM 668 C ILE A 43 7.055 -7.750 17.862 1.00 24.12 C ATOM 669 O ILE A 43 6.620 -8.204 18.918 1.00 1.22 O ATOM 670 CB ILE A 43 5.806 -5.579 17.999 1.00 53.14 C ATOM 671 CG1 ILE A 43 5.112 -4.468 17.199 1.00 15.22 C ATOM 672 CG2 ILE A 43 6.997 -5.025 18.785 1.00 12.11 C ATOM 673 CD1 ILE A 43 4.621 -3.319 18.051 1.00 71.24 C ATOM 0 H ILE A 43 4.208 -6.937 16.626 1.00 1.22 H new ATOM 0 HA ILE A 43 6.884 -6.306 16.269 1.00 2.22 H new ATOM 0 HB ILE A 43 5.091 -5.983 18.716 1.00 53.14 H new ATOM 0 HG12 ILE A 43 5.806 -4.083 16.452 1.00 15.22 H new ATOM 0 HG13 ILE A 43 4.267 -4.895 16.659 1.00 15.22 H new ATOM 0 HG21 ILE A 43 6.659 -4.223 19.441 1.00 12.11 H new ATOM 0 HG22 ILE A 43 7.440 -5.821 19.384 1.00 12.11 H new ATOM 0 HG23 ILE A 43 7.742 -4.636 18.091 1.00 12.11 H new ATOM 0 HD11 ILE A 43 4.142 -2.574 17.416 1.00 71.24 H new ATOM 0 HD12 ILE A 43 3.902 -3.689 18.782 1.00 71.24 H new ATOM 0 HD13 ILE A 43 5.465 -2.865 18.571 1.00 71.24 H new ATOM 685 N THR A 44 8.218 -8.125 17.352 1.00 61.21 N ATOM 686 CA THR A 44 9.061 -9.110 18.028 1.00 55.13 C ATOM 687 C THR A 44 9.825 -8.459 19.196 1.00 64.34 C ATOM 688 O THR A 44 10.058 -7.247 19.196 1.00 12.21 O ATOM 689 CB THR A 44 10.055 -9.755 17.029 1.00 63.04 C ATOM 690 OG1 THR A 44 9.412 -9.949 15.756 1.00 62.42 O ATOM 691 CG2 THR A 44 10.552 -11.103 17.538 1.00 51.31 C ATOM 0 H THR A 44 8.602 -7.767 16.477 1.00 61.21 H new ATOM 0 HA THR A 44 8.416 -9.892 18.429 1.00 55.13 H new ATOM 0 HB THR A 44 10.906 -9.082 16.924 1.00 63.04 H new ATOM 0 HG1 THR A 44 10.045 -10.355 15.128 1.00 62.42 H new ATOM 0 HG21 THR A 44 11.247 -11.531 16.816 1.00 51.31 H new ATOM 0 HG22 THR A 44 11.059 -10.967 18.493 1.00 51.31 H new ATOM 0 HG23 THR A 44 9.705 -11.777 17.669 1.00 51.31 H new ATOM 699 N LYS A 45 10.244 -9.272 20.166 1.00 55.44 N ATOM 700 CA LYS A 45 10.810 -8.760 21.428 1.00 63.02 C ATOM 701 C LYS A 45 12.017 -7.819 21.228 1.00 72.25 C ATOM 702 O LYS A 45 12.076 -6.751 21.838 1.00 5.30 O ATOM 703 CB LYS A 45 11.196 -9.923 22.363 1.00 40.41 C ATOM 704 CG LYS A 45 12.104 -10.985 21.733 1.00 12.42 C ATOM 705 CD LYS A 45 11.306 -12.073 21.008 1.00 63.23 C ATOM 706 CE LYS A 45 12.218 -13.126 20.385 1.00 73.34 C ATOM 707 NZ LYS A 45 11.451 -14.257 19.797 1.00 3.15 N1+ ATOM 0 H LYS A 45 10.205 -10.290 20.108 1.00 55.44 H new ATOM 0 HA LYS A 45 10.023 -8.163 21.888 1.00 63.02 H new ATOM 0 HB2 LYS A 45 11.696 -9.513 23.241 1.00 40.41 H new ATOM 0 HB3 LYS A 45 10.284 -10.407 22.712 1.00 40.41 H new ATOM 0 HG2 LYS A 45 12.785 -10.507 21.029 1.00 12.42 H new ATOM 0 HG3 LYS A 45 12.717 -11.443 22.509 1.00 12.42 H new ATOM 0 HD2 LYS A 45 10.624 -12.553 21.710 1.00 63.23 H new ATOM 0 HD3 LYS A 45 10.693 -11.617 20.230 1.00 63.23 H new ATOM 0 HE2 LYS A 45 12.829 -12.662 19.611 1.00 73.34 H new ATOM 0 HE3 LYS A 45 12.901 -13.508 21.144 1.00 73.34 H new ATOM 0 HZ1 LYS A 45 12.081 -14.830 19.200 1.00 3.15 H new ATOM 0 HZ2 LYS A 45 11.065 -14.849 20.560 1.00 3.15 H new ATOM 0 HZ3 LYS A 45 10.671 -13.884 19.219 1.00 3.15 H new ATOM 721 N GLU A 46 12.960 -8.192 20.366 1.00 52.24 N ATOM 722 CA GLU A 46 14.160 -7.369 20.142 1.00 32.44 C ATOM 723 C GLU A 46 13.786 -5.977 19.603 1.00 74.13 C ATOM 724 O GLU A 46 14.328 -4.954 20.031 1.00 24.23 O ATOM 725 CB GLU A 46 15.110 -8.070 19.161 1.00 21.33 C ATOM 726 CG GLU A 46 16.502 -7.449 19.086 1.00 25.32 C ATOM 727 CD GLU A 46 17.238 -7.500 20.417 1.00 53.41 C ATOM 728 OE1 GLU A 46 17.405 -6.441 21.058 1.00 35.34 O ATOM 729 OE2 GLU A 46 17.642 -8.608 20.833 1.00 53.15 O1- ATOM 0 H GLU A 46 12.924 -9.049 19.813 1.00 52.24 H new ATOM 0 HA GLU A 46 14.663 -7.242 21.101 1.00 32.44 H new ATOM 0 HB2 GLU A 46 15.206 -9.116 19.451 1.00 21.33 H new ATOM 0 HB3 GLU A 46 14.664 -8.055 18.167 1.00 21.33 H new ATOM 0 HG2 GLU A 46 17.089 -7.971 18.330 1.00 25.32 H new ATOM 0 HG3 GLU A 46 16.416 -6.412 18.762 1.00 25.32 H new ATOM 736 N ALA A 47 12.835 -5.956 18.676 1.00 34.14 N ATOM 737 CA ALA A 47 12.358 -4.714 18.062 1.00 53.51 C ATOM 738 C ALA A 47 11.619 -3.814 19.068 1.00 35.05 C ATOM 739 O ALA A 47 11.663 -2.586 18.959 1.00 24.11 O ATOM 740 CB ALA A 47 11.459 -5.032 16.873 1.00 31.13 C ATOM 0 H ALA A 47 12.372 -6.795 18.327 1.00 34.14 H new ATOM 0 HA ALA A 47 13.232 -4.161 17.718 1.00 53.51 H new ATOM 0 HB1 ALA A 47 11.109 -4.103 16.423 1.00 31.13 H new ATOM 0 HB2 ALA A 47 12.021 -5.604 16.135 1.00 31.13 H new ATOM 0 HB3 ALA A 47 10.603 -5.617 17.210 1.00 31.13 H new ATOM 746 N LEU A 48 10.946 -4.431 20.044 1.00 53.11 N ATOM 747 CA LEU A 48 10.057 -3.701 20.963 1.00 10.23 C ATOM 748 C LEU A 48 10.792 -2.579 21.729 1.00 52.21 C ATOM 749 O LEU A 48 10.325 -1.437 21.758 1.00 23.32 O ATOM 750 CB LEU A 48 9.440 -4.692 21.965 1.00 2.33 C ATOM 751 CG LEU A 48 8.396 -4.106 22.931 1.00 24.24 C ATOM 752 CD1 LEU A 48 7.132 -3.688 22.182 1.00 74.23 C ATOM 753 CD2 LEU A 48 8.064 -5.106 24.037 1.00 72.43 C ATOM 0 H LEU A 48 10.998 -5.434 20.221 1.00 53.11 H new ATOM 0 HA LEU A 48 9.280 -3.227 20.364 1.00 10.23 H new ATOM 0 HB2 LEU A 48 8.974 -5.503 21.405 1.00 2.33 H new ATOM 0 HB3 LEU A 48 10.245 -5.133 22.554 1.00 2.33 H new ATOM 0 HG LEU A 48 8.824 -3.216 23.392 1.00 24.24 H new ATOM 0 HD11 LEU A 48 6.410 -3.277 22.888 1.00 74.23 H new ATOM 0 HD12 LEU A 48 7.383 -2.932 21.438 1.00 74.23 H new ATOM 0 HD13 LEU A 48 6.700 -4.556 21.685 1.00 74.23 H new ATOM 0 HD21 LEU A 48 7.324 -4.672 24.710 1.00 72.43 H new ATOM 0 HD22 LEU A 48 7.662 -6.018 23.595 1.00 72.43 H new ATOM 0 HD23 LEU A 48 8.969 -5.343 24.597 1.00 72.43 H new ATOM 765 N GLU A 49 11.943 -2.887 22.330 1.00 0.20 N ATOM 766 CA GLU A 49 12.775 -1.847 22.954 1.00 11.32 C ATOM 767 C GLU A 49 13.506 -0.997 21.903 1.00 73.31 C ATOM 768 O GLU A 49 13.580 0.229 22.019 1.00 23.25 O ATOM 769 CB GLU A 49 13.789 -2.444 23.943 1.00 30.22 C ATOM 770 CG GLU A 49 13.165 -2.970 25.238 1.00 54.21 C ATOM 771 CD GLU A 49 14.179 -3.096 26.368 1.00 14.55 C ATOM 772 OE1 GLU A 49 14.329 -2.124 27.148 1.00 40.25 O ATOM 773 OE2 GLU A 49 14.835 -4.151 26.479 1.00 52.41 O1- ATOM 0 H GLU A 49 12.319 -3.832 22.400 1.00 0.20 H new ATOM 0 HA GLU A 49 12.095 -1.200 23.509 1.00 11.32 H new ATOM 0 HB2 GLU A 49 14.322 -3.258 23.453 1.00 30.22 H new ATOM 0 HB3 GLU A 49 14.529 -1.683 24.192 1.00 30.22 H new ATOM 0 HG2 GLU A 49 12.362 -2.301 25.548 1.00 54.21 H new ATOM 0 HG3 GLU A 49 12.713 -3.944 25.050 1.00 54.21 H new ATOM 780 N GLU A 50 14.017 -1.658 20.867 1.00 10.02 N ATOM 781 CA GLU A 50 14.876 -1.017 19.858 1.00 65.10 C ATOM 782 C GLU A 50 14.194 0.182 19.176 1.00 21.43 C ATOM 783 O GLU A 50 14.735 1.289 19.153 1.00 61.34 O ATOM 784 CB GLU A 50 15.267 -2.057 18.801 1.00 54.23 C ATOM 785 CG GLU A 50 16.090 -1.501 17.644 1.00 51.11 C ATOM 786 CD GLU A 50 16.382 -2.554 16.589 1.00 74.11 C ATOM 787 OE1 GLU A 50 17.431 -3.231 16.692 1.00 1.11 O ATOM 788 OE2 GLU A 50 15.559 -2.721 15.662 1.00 33.21 O1- ATOM 0 H GLU A 50 13.852 -2.650 20.698 1.00 10.02 H new ATOM 0 HA GLU A 50 15.759 -0.634 20.370 1.00 65.10 H new ATOM 0 HB2 GLU A 50 15.834 -2.853 19.284 1.00 54.23 H new ATOM 0 HB3 GLU A 50 14.360 -2.509 18.401 1.00 54.23 H new ATOM 0 HG2 GLU A 50 15.554 -0.669 17.186 1.00 51.11 H new ATOM 0 HG3 GLU A 50 17.030 -1.103 18.027 1.00 51.11 H new ATOM 795 N THR A 51 13.002 -0.043 18.639 1.00 74.22 N ATOM 796 CA THR A 51 12.270 1.001 17.902 1.00 14.22 C ATOM 797 C THR A 51 11.283 1.752 18.821 1.00 44.23 C ATOM 798 O THR A 51 10.450 2.527 18.354 1.00 22.14 O ATOM 799 CB THR A 51 11.519 0.389 16.685 1.00 23.12 C ATOM 800 OG1 THR A 51 12.414 -0.451 15.934 1.00 70.42 O ATOM 801 CG2 THR A 51 10.968 1.468 15.752 1.00 30.33 C ATOM 0 H THR A 51 12.514 -0.937 18.695 1.00 74.22 H new ATOM 0 HA THR A 51 13.001 1.721 17.535 1.00 14.22 H new ATOM 0 HB THR A 51 10.683 -0.190 17.078 1.00 23.12 H new ATOM 0 HG1 THR A 51 12.065 -1.366 15.915 1.00 70.42 H new ATOM 0 HG21 THR A 51 10.451 0.997 14.916 1.00 30.33 H new ATOM 0 HG22 THR A 51 10.270 2.101 16.300 1.00 30.33 H new ATOM 0 HG23 THR A 51 11.790 2.077 15.374 1.00 30.33 H new ATOM 809 N ARG A 52 11.385 1.509 20.137 1.00 41.34 N ATOM 810 CA ARG A 52 10.497 2.141 21.134 1.00 51.13 C ATOM 811 C ARG A 52 9.033 1.694 20.945 1.00 11.44 C ATOM 812 O ARG A 52 8.096 2.391 21.339 1.00 40.02 O ATOM 813 CB ARG A 52 10.594 3.680 21.053 1.00 5.21 C ATOM 814 CG ARG A 52 11.987 4.261 21.326 1.00 75.10 C ATOM 815 CD ARG A 52 12.412 4.117 22.788 1.00 42.53 C ATOM 816 NE ARG A 52 12.872 2.771 23.119 1.00 44.13 N ATOM 817 CZ ARG A 52 12.830 2.253 24.318 1.00 40.22 C ATOM 818 NH1 ARG A 52 12.335 2.914 25.313 1.00 22.05 N1+ ATOM 819 NH2 ARG A 52 13.302 1.073 24.522 1.00 1.14 N ATOM 0 H ARG A 52 12.076 0.877 20.540 1.00 41.34 H new ATOM 0 HA ARG A 52 10.828 1.817 22.121 1.00 51.13 H new ATOM 0 HB2 ARG A 52 10.274 3.997 20.060 1.00 5.21 H new ATOM 0 HB3 ARG A 52 9.892 4.111 21.767 1.00 5.21 H new ATOM 0 HG2 ARG A 52 12.716 3.760 20.689 1.00 75.10 H new ATOM 0 HG3 ARG A 52 11.996 5.316 21.052 1.00 75.10 H new ATOM 0 HD2 ARG A 52 13.209 4.830 23.001 1.00 42.53 H new ATOM 0 HD3 ARG A 52 11.572 4.376 23.432 1.00 42.53 H new ATOM 0 HE ARG A 52 13.251 2.198 22.365 1.00 44.13 H new ATOM 0 HH11 ARG A 52 11.969 3.855 25.169 1.00 22.05 H new ATOM 0 HH12 ARG A 52 12.310 2.494 26.242 1.00 22.05 H new ATOM 0 HH21 ARG A 52 13.707 0.545 23.749 1.00 1.14 H new ATOM 0 HH22 ARG A 52 13.271 0.666 25.457 1.00 1.14 H new ATOM 833 N LEU A 53 8.852 0.495 20.391 1.00 25.11 N ATOM 834 CA LEU A 53 7.520 -0.012 20.025 1.00 34.14 C ATOM 835 C LEU A 53 6.640 -0.319 21.252 1.00 23.15 C ATOM 836 O LEU A 53 5.465 -0.650 21.106 1.00 71.43 O ATOM 837 CB LEU A 53 7.661 -1.263 19.148 1.00 12.54 C ATOM 838 CG LEU A 53 8.335 -1.029 17.784 1.00 73.24 C ATOM 839 CD1 LEU A 53 8.528 -2.342 17.031 1.00 34.22 C ATOM 840 CD2 LEU A 53 7.526 -0.038 16.949 1.00 24.15 C ATOM 0 H LEU A 53 9.614 -0.151 20.183 1.00 25.11 H new ATOM 0 HA LEU A 53 7.018 0.778 19.467 1.00 34.14 H new ATOM 0 HB2 LEU A 53 8.235 -2.010 19.696 1.00 12.54 H new ATOM 0 HB3 LEU A 53 6.670 -1.683 18.979 1.00 12.54 H new ATOM 0 HG LEU A 53 9.322 -0.602 17.965 1.00 73.24 H new ATOM 0 HD11 LEU A 53 9.006 -2.144 16.072 1.00 34.22 H new ATOM 0 HD12 LEU A 53 9.157 -3.010 17.619 1.00 34.22 H new ATOM 0 HD13 LEU A 53 7.559 -2.811 16.863 1.00 34.22 H new ATOM 0 HD21 LEU A 53 8.018 0.115 15.988 1.00 24.15 H new ATOM 0 HD22 LEU A 53 6.524 -0.434 16.785 1.00 24.15 H new ATOM 0 HD23 LEU A 53 7.458 0.913 17.477 1.00 24.15 H new ATOM 852 N GLY A 54 7.207 -0.207 22.454 1.00 30.41 N ATOM 853 CA GLY A 54 6.420 -0.390 23.675 1.00 33.22 C ATOM 854 C GLY A 54 5.254 0.595 23.776 1.00 33.24 C ATOM 855 O GLY A 54 4.199 0.268 24.319 1.00 11.45 O ATOM 0 H GLY A 54 8.193 0.006 22.608 1.00 30.41 H new ATOM 0 HA2 GLY A 54 6.034 -1.409 23.705 1.00 33.22 H new ATOM 0 HA3 GLY A 54 7.069 -0.270 24.543 1.00 33.22 H new ATOM 859 N LYS A 55 5.447 1.801 23.239 1.00 32.41 N ATOM 860 CA LYS A 55 4.387 2.820 23.196 1.00 30.14 C ATOM 861 C LYS A 55 3.138 2.311 22.448 1.00 31.30 C ATOM 862 O LYS A 55 2.004 2.634 22.818 1.00 10.55 O ATOM 863 CB LYS A 55 4.911 4.093 22.513 1.00 54.01 C ATOM 864 CG LYS A 55 3.822 5.116 22.196 1.00 13.31 C ATOM 865 CD LYS A 55 3.212 5.738 23.456 1.00 11.01 C ATOM 866 CE LYS A 55 1.776 6.199 23.218 1.00 2.32 C ATOM 867 NZ LYS A 55 1.600 6.843 21.889 1.00 51.13 N1+ ATOM 0 H LYS A 55 6.330 2.100 22.825 1.00 32.41 H new ATOM 0 HA LYS A 55 4.100 3.042 24.224 1.00 30.14 H new ATOM 0 HB2 LYS A 55 5.657 4.558 23.157 1.00 54.01 H new ATOM 0 HB3 LYS A 55 5.416 3.816 21.588 1.00 54.01 H new ATOM 0 HG2 LYS A 55 4.241 5.905 21.572 1.00 13.31 H new ATOM 0 HG3 LYS A 55 3.035 4.635 21.615 1.00 13.31 H new ATOM 0 HD2 LYS A 55 3.231 5.010 24.267 1.00 11.01 H new ATOM 0 HD3 LYS A 55 3.819 6.586 23.774 1.00 11.01 H new ATOM 0 HE2 LYS A 55 1.105 5.343 23.296 1.00 2.32 H new ATOM 0 HE3 LYS A 55 1.489 6.902 24.000 1.00 2.32 H new ATOM 0 HZ1 LYS A 55 0.690 7.345 21.864 1.00 51.13 H new ATOM 0 HZ2 LYS A 55 2.373 7.519 21.726 1.00 51.13 H new ATOM 0 HZ3 LYS A 55 1.614 6.115 21.146 1.00 51.13 H new ATOM 881 N LEU A 56 3.360 1.493 21.416 1.00 11.12 N ATOM 882 CA LEU A 56 2.272 0.966 20.582 1.00 73.24 C ATOM 883 C LEU A 56 1.226 0.233 21.433 1.00 31.45 C ATOM 884 O LEU A 56 0.046 0.224 21.099 1.00 53.35 O ATOM 885 CB LEU A 56 2.832 0.049 19.476 1.00 0.55 C ATOM 886 CG LEU A 56 1.801 -0.473 18.443 1.00 65.33 C ATOM 887 CD1 LEU A 56 2.451 -0.660 17.073 1.00 32.50 C ATOM 888 CD2 LEU A 56 1.169 -1.790 18.906 1.00 31.31 C ATOM 0 H LEU A 56 4.289 1.179 21.135 1.00 11.12 H new ATOM 0 HA LEU A 56 1.773 1.809 20.104 1.00 73.24 H new ATOM 0 HB2 LEU A 56 3.611 0.592 18.941 1.00 0.55 H new ATOM 0 HB3 LEU A 56 3.309 -0.809 19.949 1.00 0.55 H new ATOM 0 HG LEU A 56 1.014 0.276 18.360 1.00 65.33 H new ATOM 0 HD11 LEU A 56 1.708 -1.027 16.365 1.00 32.50 H new ATOM 0 HD12 LEU A 56 2.845 0.294 16.724 1.00 32.50 H new ATOM 0 HD13 LEU A 56 3.265 -1.381 17.152 1.00 32.50 H new ATOM 0 HD21 LEU A 56 0.450 -2.131 18.161 1.00 31.31 H new ATOM 0 HD22 LEU A 56 1.947 -2.543 19.031 1.00 31.31 H new ATOM 0 HD23 LEU A 56 0.659 -1.634 19.857 1.00 31.31 H new ATOM 900 N ILE A 57 1.666 -0.370 22.538 1.00 70.13 N ATOM 901 CA ILE A 57 0.765 -1.111 23.435 1.00 51.41 C ATOM 902 C ILE A 57 -0.392 -0.222 23.937 1.00 14.24 C ATOM 903 O ILE A 57 -1.537 -0.667 24.031 1.00 73.34 O ATOM 904 CB ILE A 57 1.544 -1.668 24.657 1.00 60.41 C ATOM 905 CG1 ILE A 57 2.608 -2.685 24.198 1.00 64.35 C ATOM 906 CG2 ILE A 57 0.593 -2.295 25.679 1.00 33.11 C ATOM 907 CD1 ILE A 57 3.456 -3.244 25.324 1.00 23.43 C ATOM 0 H ILE A 57 2.641 -0.362 22.837 1.00 70.13 H new ATOM 0 HA ILE A 57 0.348 -1.937 22.859 1.00 51.41 H new ATOM 0 HB ILE A 57 2.051 -0.836 25.145 1.00 60.41 H new ATOM 0 HG12 ILE A 57 2.111 -3.510 23.688 1.00 64.35 H new ATOM 0 HG13 ILE A 57 3.261 -2.207 23.468 1.00 64.35 H new ATOM 0 HG21 ILE A 57 1.167 -2.676 26.524 1.00 33.11 H new ATOM 0 HG22 ILE A 57 -0.112 -1.542 26.030 1.00 33.11 H new ATOM 0 HG23 ILE A 57 0.046 -3.114 25.212 1.00 33.11 H new ATOM 0 HD11 ILE A 57 4.179 -3.951 24.918 1.00 23.43 H new ATOM 0 HD12 ILE A 57 3.984 -2.430 25.821 1.00 23.43 H new ATOM 0 HD13 ILE A 57 2.815 -3.753 26.044 1.00 23.43 H new ATOM 919 N ASN A 58 -0.091 1.035 24.254 1.00 43.12 N ATOM 920 CA ASN A 58 -1.124 1.994 24.659 1.00 65.55 C ATOM 921 C ASN A 58 -2.013 2.391 23.466 1.00 73.04 C ATOM 922 O ASN A 58 -3.242 2.458 23.580 1.00 44.10 O ATOM 923 CB ASN A 58 -0.478 3.238 25.286 1.00 74.04 C ATOM 924 CG ASN A 58 -1.494 4.290 25.702 1.00 61.01 C ATOM 925 OD1 ASN A 58 -2.649 3.987 25.979 1.00 3.11 O ATOM 926 ND2 ASN A 58 -1.067 5.532 25.782 1.00 13.51 N ATOM 0 H ASN A 58 0.855 1.415 24.239 1.00 43.12 H new ATOM 0 HA ASN A 58 -1.759 1.514 25.404 1.00 65.55 H new ATOM 0 HB2 ASN A 58 0.104 2.938 26.158 1.00 74.04 H new ATOM 0 HB3 ASN A 58 0.220 3.677 24.573 1.00 74.04 H new ATOM 0 HD21 ASN A 58 -1.703 6.272 26.081 1.00 13.51 H new ATOM 0 HD22 ASN A 58 -0.100 5.755 25.545 1.00 13.51 H new ATOM 933 N ASP A 59 -1.386 2.641 22.317 1.00 52.13 N ATOM 934 CA ASP A 59 -2.109 3.090 21.123 1.00 61.31 C ATOM 935 C ASP A 59 -3.051 2.010 20.566 1.00 40.21 C ATOM 936 O ASP A 59 -4.191 2.304 20.210 1.00 43.21 O ATOM 937 CB ASP A 59 -1.122 3.543 20.041 1.00 74.11 C ATOM 938 CG ASP A 59 -0.280 4.723 20.496 1.00 3.31 C ATOM 939 OD1 ASP A 59 0.963 4.620 20.485 1.00 41.44 O ATOM 940 OD2 ASP A 59 -0.867 5.756 20.888 1.00 22.10 O1- ATOM 0 H ASP A 59 -0.379 2.541 22.186 1.00 52.13 H new ATOM 0 HA ASP A 59 -2.730 3.934 21.423 1.00 61.31 H new ATOM 0 HB2 ASP A 59 -0.468 2.712 19.776 1.00 74.11 H new ATOM 0 HB3 ASP A 59 -1.672 3.816 19.140 1.00 74.11 H new ATOM 945 N VAL A 60 -2.588 0.764 20.512 1.00 4.12 N ATOM 946 CA VAL A 60 -3.395 -0.337 19.967 1.00 42.42 C ATOM 947 C VAL A 60 -4.631 -0.621 20.839 1.00 5.15 C ATOM 948 O VAL A 60 -5.676 -1.028 20.338 1.00 23.02 O ATOM 949 CB VAL A 60 -2.558 -1.637 19.808 1.00 34.53 C ATOM 950 CG1 VAL A 60 -2.093 -2.168 21.164 1.00 51.10 C ATOM 951 CG2 VAL A 60 -3.343 -2.703 19.040 1.00 54.13 C ATOM 0 H VAL A 60 -1.662 0.486 20.837 1.00 4.12 H new ATOM 0 HA VAL A 60 -3.731 -0.016 18.981 1.00 42.42 H new ATOM 0 HB VAL A 60 -1.669 -1.390 19.228 1.00 34.53 H new ATOM 0 HG11 VAL A 60 -1.510 -3.078 21.018 1.00 51.10 H new ATOM 0 HG12 VAL A 60 -1.476 -1.417 21.657 1.00 51.10 H new ATOM 0 HG13 VAL A 60 -2.961 -2.389 21.785 1.00 51.10 H new ATOM 0 HG21 VAL A 60 -2.735 -3.603 18.942 1.00 54.13 H new ATOM 0 HG22 VAL A 60 -4.259 -2.941 19.581 1.00 54.13 H new ATOM 0 HG23 VAL A 60 -3.595 -2.326 18.049 1.00 54.13 H new ATOM 961 N ARG A 61 -4.507 -0.391 22.146 1.00 12.35 N ATOM 962 CA ARG A 61 -5.617 -0.614 23.082 1.00 65.30 C ATOM 963 C ARG A 61 -6.756 0.404 22.880 1.00 54.31 C ATOM 964 O ARG A 61 -7.926 0.034 22.802 1.00 70.22 O ATOM 965 CB ARG A 61 -5.105 -0.541 24.530 1.00 11.20 C ATOM 966 CG ARG A 61 -6.203 -0.686 25.583 1.00 23.43 C ATOM 967 CD ARG A 61 -5.661 -0.529 27.002 1.00 64.13 C ATOM 968 NE ARG A 61 -4.762 -1.622 27.384 1.00 11.34 N ATOM 969 CZ ARG A 61 -3.497 -1.469 27.692 1.00 70.44 C ATOM 970 NH1 ARG A 61 -2.933 -0.306 27.619 1.00 71.24 N1+ ATOM 971 NH2 ARG A 61 -2.798 -2.486 28.084 1.00 51.44 N ATOM 0 H ARG A 61 -3.651 -0.051 22.584 1.00 12.35 H new ATOM 0 HA ARG A 61 -6.020 -1.607 22.882 1.00 65.30 H new ATOM 0 HB2 ARG A 61 -4.363 -1.325 24.683 1.00 11.20 H new ATOM 0 HB3 ARG A 61 -4.597 0.412 24.678 1.00 11.20 H new ATOM 0 HG2 ARG A 61 -6.976 0.062 25.406 1.00 23.43 H new ATOM 0 HG3 ARG A 61 -6.675 -1.663 25.482 1.00 23.43 H new ATOM 0 HD2 ARG A 61 -5.129 0.419 27.081 1.00 64.13 H new ATOM 0 HD3 ARG A 61 -6.494 -0.487 27.703 1.00 64.13 H new ATOM 0 HE ARG A 61 -5.147 -2.566 27.412 1.00 11.34 H new ATOM 0 HH11 ARG A 61 -3.474 0.505 27.319 1.00 71.24 H new ATOM 0 HH12 ARG A 61 -1.948 -0.201 27.862 1.00 71.24 H new ATOM 0 HH21 ARG A 61 -3.232 -3.407 28.153 1.00 51.44 H new ATOM 0 HH22 ARG A 61 -1.814 -2.366 28.324 1.00 51.44 H new ATOM 985 N LYS A 62 -6.406 1.687 22.804 1.00 53.24 N ATOM 986 CA LYS A 62 -7.410 2.760 22.707 1.00 12.42 C ATOM 987 C LYS A 62 -7.822 3.066 21.253 1.00 31.44 C ATOM 988 O LYS A 62 -8.978 3.396 20.978 1.00 11.22 O ATOM 989 CB LYS A 62 -6.877 4.026 23.387 1.00 41.22 C ATOM 990 CG LYS A 62 -6.572 3.830 24.869 1.00 70.54 C ATOM 991 CD LYS A 62 -6.142 5.130 25.541 1.00 35.22 C ATOM 992 CE LYS A 62 -5.967 4.953 27.047 1.00 14.42 C ATOM 993 NZ LYS A 62 -7.215 4.474 27.700 1.00 41.03 N1+ ATOM 0 H LYS A 62 -5.440 2.014 22.807 1.00 53.24 H new ATOM 0 HA LYS A 62 -8.308 2.412 23.218 1.00 12.42 H new ATOM 0 HB2 LYS A 62 -5.971 4.351 22.876 1.00 41.22 H new ATOM 0 HB3 LYS A 62 -7.609 4.826 23.276 1.00 41.22 H new ATOM 0 HG2 LYS A 62 -7.456 3.437 25.372 1.00 70.54 H new ATOM 0 HG3 LYS A 62 -5.784 3.086 24.981 1.00 70.54 H new ATOM 0 HD2 LYS A 62 -5.205 5.474 25.103 1.00 35.22 H new ATOM 0 HD3 LYS A 62 -6.886 5.903 25.349 1.00 35.22 H new ATOM 0 HE2 LYS A 62 -5.162 4.243 27.238 1.00 14.42 H new ATOM 0 HE3 LYS A 62 -5.666 5.902 27.491 1.00 14.42 H new ATOM 0 HZ1 LYS A 62 -7.155 4.638 28.725 1.00 41.03 H new ATOM 0 HZ2 LYS A 62 -8.030 4.992 27.313 1.00 41.03 H new ATOM 0 HZ3 LYS A 62 -7.333 3.457 27.519 1.00 41.03 H new ATOM 1007 N LYS A 63 -6.879 2.948 20.323 1.00 30.51 N ATOM 1008 CA LYS A 63 -7.135 3.250 18.905 1.00 40.04 C ATOM 1009 C LYS A 63 -7.510 1.994 18.101 1.00 3.21 C ATOM 1010 O LYS A 63 -7.517 2.015 16.874 1.00 31.53 O ATOM 1011 CB LYS A 63 -5.909 3.945 18.281 1.00 2.14 C ATOM 1012 CG LYS A 63 -5.889 5.468 18.478 1.00 33.54 C ATOM 1013 CD LYS A 63 -4.630 5.966 19.186 1.00 3.11 C ATOM 1014 CE LYS A 63 -4.651 5.660 20.678 1.00 65.20 C ATOM 1015 NZ LYS A 63 -3.503 6.287 21.385 1.00 33.14 N1+ ATOM 0 H LYS A 63 -5.925 2.645 20.520 1.00 30.51 H new ATOM 0 HA LYS A 63 -7.991 3.924 18.863 1.00 40.04 H new ATOM 0 HB2 LYS A 63 -5.003 3.521 18.715 1.00 2.14 H new ATOM 0 HB3 LYS A 63 -5.884 3.726 17.213 1.00 2.14 H new ATOM 0 HG2 LYS A 63 -5.968 5.955 17.506 1.00 33.54 H new ATOM 0 HG3 LYS A 63 -6.764 5.765 19.055 1.00 33.54 H new ATOM 0 HD2 LYS A 63 -3.753 5.502 18.734 1.00 3.11 H new ATOM 0 HD3 LYS A 63 -4.533 7.042 19.039 1.00 3.11 H new ATOM 0 HE2 LYS A 63 -5.585 6.020 21.110 1.00 65.20 H new ATOM 0 HE3 LYS A 63 -4.625 4.581 20.828 1.00 65.20 H new ATOM 0 HZ1 LYS A 63 -3.463 5.935 22.363 1.00 33.14 H new ATOM 0 HZ2 LYS A 63 -2.619 6.045 20.894 1.00 33.14 H new ATOM 0 HZ3 LYS A 63 -3.623 7.320 21.393 1.00 33.14 H new ATOM 1029 N THR A 64 -7.847 0.913 18.800 1.00 3.52 N ATOM 1030 CA THR A 64 -8.241 -0.344 18.139 1.00 33.45 C ATOM 1031 C THR A 64 -9.542 -0.200 17.337 1.00 23.03 C ATOM 1032 O THR A 64 -10.386 0.653 17.634 1.00 52.20 O ATOM 1033 CB THR A 64 -8.442 -1.497 19.154 1.00 30.13 C ATOM 1034 OG1 THR A 64 -8.897 -2.681 18.471 1.00 73.53 O ATOM 1035 CG2 THR A 64 -9.450 -1.110 20.234 1.00 63.10 C ATOM 0 H THR A 64 -7.858 0.874 19.819 1.00 3.52 H new ATOM 0 HA THR A 64 -7.417 -0.579 17.465 1.00 33.45 H new ATOM 0 HB THR A 64 -7.483 -1.696 19.632 1.00 30.13 H new ATOM 0 HG1 THR A 64 -9.762 -2.959 18.839 1.00 73.53 H new ATOM 0 HG21 THR A 64 -9.571 -1.938 20.932 1.00 63.10 H new ATOM 0 HG22 THR A 64 -9.089 -0.233 20.771 1.00 63.10 H new ATOM 0 HG23 THR A 64 -10.410 -0.883 19.771 1.00 63.10 H new ATOM 1043 N LYS A 65 -9.693 -1.054 16.326 1.00 75.11 N ATOM 1044 CA LYS A 65 -10.927 -1.139 15.536 1.00 64.53 C ATOM 1045 C LYS A 65 -12.122 -1.496 16.431 1.00 33.35 C ATOM 1046 O LYS A 65 -13.140 -0.805 16.449 1.00 51.50 O ATOM 1047 CB LYS A 65 -10.764 -2.212 14.449 1.00 0.22 C ATOM 1048 CG LYS A 65 -12.019 -2.452 13.610 1.00 53.32 C ATOM 1049 CD LYS A 65 -11.875 -3.668 12.696 1.00 64.33 C ATOM 1050 CE LYS A 65 -10.722 -3.513 11.711 1.00 15.51 C ATOM 1051 NZ LYS A 65 -10.596 -4.688 10.809 1.00 23.25 N1+ ATOM 0 H LYS A 65 -8.967 -1.706 16.029 1.00 75.11 H new ATOM 0 HA LYS A 65 -11.114 -0.169 15.076 1.00 64.53 H new ATOM 0 HB2 LYS A 65 -9.948 -1.921 13.787 1.00 0.22 H new ATOM 0 HB3 LYS A 65 -10.472 -3.150 14.921 1.00 0.22 H new ATOM 0 HG2 LYS A 65 -12.874 -2.595 14.270 1.00 53.32 H new ATOM 0 HG3 LYS A 65 -12.226 -1.568 13.007 1.00 53.32 H new ATOM 0 HD2 LYS A 65 -11.716 -4.560 13.302 1.00 64.33 H new ATOM 0 HD3 LYS A 65 -12.804 -3.819 12.145 1.00 64.33 H new ATOM 0 HE2 LYS A 65 -10.874 -2.613 11.115 1.00 15.51 H new ATOM 0 HE3 LYS A 65 -9.791 -3.378 12.262 1.00 15.51 H new ATOM 0 HZ1 LYS A 65 -9.800 -4.541 10.156 1.00 23.25 H new ATOM 0 HZ2 LYS A 65 -10.425 -5.544 11.375 1.00 23.25 H new ATOM 0 HZ3 LYS A 65 -11.474 -4.803 10.264 1.00 23.25 H new ATOM 1065 N ASN A 66 -11.971 -2.590 17.169 1.00 22.10 N ATOM 1066 CA ASN A 66 -13.005 -3.083 18.079 1.00 13.02 C ATOM 1067 C ASN A 66 -12.428 -3.228 19.498 1.00 4.32 C ATOM 1068 O ASN A 66 -11.320 -3.743 19.673 1.00 63.45 O ATOM 1069 CB ASN A 66 -13.530 -4.436 17.569 1.00 43.41 C ATOM 1070 CG ASN A 66 -14.714 -4.969 18.358 1.00 31.33 C ATOM 1071 OD1 ASN A 66 -14.887 -4.672 19.533 1.00 13.44 O ATOM 1072 ND2 ASN A 66 -15.531 -5.782 17.723 1.00 22.12 N ATOM 0 H ASN A 66 -11.127 -3.163 17.155 1.00 22.10 H new ATOM 0 HA ASN A 66 -13.831 -2.373 18.114 1.00 13.02 H new ATOM 0 HB2 ASN A 66 -13.819 -4.333 16.523 1.00 43.41 H new ATOM 0 HB3 ASN A 66 -12.722 -5.166 17.606 1.00 43.41 H new ATOM 0 HD21 ASN A 66 -16.333 -6.182 18.210 1.00 22.12 H new ATOM 0 HD22 ASN A 66 -15.362 -6.012 16.744 1.00 22.12 H new ATOM 1079 N GLU A 67 -13.169 -2.774 20.504 1.00 4.42 N ATOM 1080 CA GLU A 67 -12.722 -2.875 21.900 1.00 30.24 C ATOM 1081 C GLU A 67 -12.502 -4.343 22.303 1.00 70.40 C ATOM 1082 O GLU A 67 -11.578 -4.667 23.057 1.00 70.52 O ATOM 1083 CB GLU A 67 -13.742 -2.217 22.839 1.00 50.15 C ATOM 1084 CG GLU A 67 -13.291 -2.169 24.298 1.00 55.10 C ATOM 1085 CD GLU A 67 -14.295 -1.478 25.204 1.00 63.33 C ATOM 1086 OE1 GLU A 67 -14.273 -0.232 25.282 1.00 64.35 O ATOM 1087 OE2 GLU A 67 -15.110 -2.177 25.845 1.00 0.23 O1- ATOM 0 H GLU A 67 -14.081 -2.332 20.385 1.00 4.42 H new ATOM 0 HA GLU A 67 -11.771 -2.349 21.988 1.00 30.24 H new ATOM 0 HB2 GLU A 67 -13.937 -1.201 22.495 1.00 50.15 H new ATOM 0 HB3 GLU A 67 -14.684 -2.762 22.777 1.00 50.15 H new ATOM 0 HG2 GLU A 67 -13.126 -3.185 24.656 1.00 55.10 H new ATOM 0 HG3 GLU A 67 -12.335 -1.650 24.361 1.00 55.10 H new ATOM 1094 N GLU A 68 -13.350 -5.227 21.780 1.00 3.41 N ATOM 1095 CA GLU A 68 -13.207 -6.672 21.996 1.00 74.33 C ATOM 1096 C GLU A 68 -11.853 -7.172 21.458 1.00 22.12 C ATOM 1097 O GLU A 68 -11.254 -8.106 22.004 1.00 5.13 O ATOM 1098 CB GLU A 68 -14.359 -7.422 21.308 1.00 70.23 C ATOM 1099 CG GLU A 68 -15.746 -6.958 21.747 1.00 40.35 C ATOM 1100 CD GLU A 68 -16.872 -7.663 21.004 1.00 2.31 C ATOM 1101 OE1 GLU A 68 -17.093 -7.354 19.811 1.00 3.14 O ATOM 1102 OE2 GLU A 68 -17.549 -8.522 21.609 1.00 61.22 O1- ATOM 0 H GLU A 68 -14.149 -4.969 21.200 1.00 3.41 H new ATOM 0 HA GLU A 68 -13.244 -6.867 23.068 1.00 74.33 H new ATOM 0 HB2 GLU A 68 -14.269 -7.296 20.229 1.00 70.23 H new ATOM 0 HB3 GLU A 68 -14.261 -8.488 21.514 1.00 70.23 H new ATOM 0 HG2 GLU A 68 -15.859 -7.132 22.817 1.00 40.35 H new ATOM 0 HG3 GLU A 68 -15.831 -5.883 21.588 1.00 40.35 H new ATOM 1109 N LEU A 69 -11.377 -6.533 20.388 1.00 32.25 N ATOM 1110 CA LEU A 69 -10.064 -6.839 19.811 1.00 64.23 C ATOM 1111 C LEU A 69 -8.951 -6.412 20.782 1.00 74.54 C ATOM 1112 O LEU A 69 -7.954 -7.112 20.942 1.00 13.32 O ATOM 1113 CB LEU A 69 -9.920 -6.134 18.443 1.00 60.31 C ATOM 1114 CG LEU A 69 -8.713 -6.547 17.568 1.00 63.31 C ATOM 1115 CD1 LEU A 69 -8.958 -6.163 16.109 1.00 73.42 C ATOM 1116 CD2 LEU A 69 -7.416 -5.904 18.063 1.00 11.32 C ATOM 0 H LEU A 69 -11.884 -5.795 19.900 1.00 32.25 H new ATOM 0 HA LEU A 69 -9.975 -7.914 19.651 1.00 64.23 H new ATOM 0 HB2 LEU A 69 -10.831 -6.313 17.871 1.00 60.31 H new ATOM 0 HB3 LEU A 69 -9.860 -5.060 18.619 1.00 60.31 H new ATOM 0 HG LEU A 69 -8.606 -7.629 17.643 1.00 63.31 H new ATOM 0 HD11 LEU A 69 -8.100 -6.460 15.506 1.00 73.42 H new ATOM 0 HD12 LEU A 69 -9.851 -6.670 15.744 1.00 73.42 H new ATOM 0 HD13 LEU A 69 -9.098 -5.085 16.035 1.00 73.42 H new ATOM 0 HD21 LEU A 69 -6.589 -6.216 17.425 1.00 11.32 H new ATOM 0 HD22 LEU A 69 -7.512 -4.819 18.028 1.00 11.32 H new ATOM 0 HD23 LEU A 69 -7.222 -6.219 19.088 1.00 11.32 H new ATOM 1128 N ALA A 70 -9.137 -5.265 21.437 1.00 35.05 N ATOM 1129 CA ALA A 70 -8.181 -4.792 22.449 1.00 42.01 C ATOM 1130 C ALA A 70 -8.054 -5.800 23.601 1.00 15.51 C ATOM 1131 O ALA A 70 -6.951 -6.110 24.057 1.00 50.41 O ATOM 1132 CB ALA A 70 -8.593 -3.425 22.986 1.00 34.42 C ATOM 0 H ALA A 70 -9.935 -4.647 21.289 1.00 35.05 H new ATOM 0 HA ALA A 70 -7.207 -4.697 21.968 1.00 42.01 H new ATOM 0 HB1 ALA A 70 -7.871 -3.095 23.733 1.00 34.42 H new ATOM 0 HB2 ALA A 70 -8.622 -2.706 22.167 1.00 34.42 H new ATOM 0 HB3 ALA A 70 -9.581 -3.496 23.442 1.00 34.42 H new ATOM 1138 N LYS A 71 -9.194 -6.311 24.066 1.00 4.12 N ATOM 1139 CA LYS A 71 -9.215 -7.368 25.085 1.00 63.14 C ATOM 1140 C LYS A 71 -8.454 -8.614 24.595 1.00 11.23 C ATOM 1141 O LYS A 71 -7.798 -9.310 25.373 1.00 51.30 O ATOM 1142 CB LYS A 71 -10.664 -7.740 25.438 1.00 31.22 C ATOM 1143 CG LYS A 71 -11.537 -6.551 25.848 1.00 21.55 C ATOM 1144 CD LYS A 71 -10.953 -5.775 27.031 1.00 2.45 C ATOM 1145 CE LYS A 71 -10.782 -6.649 28.271 1.00 35.25 C ATOM 1146 NZ LYS A 71 -12.068 -7.248 28.717 1.00 1.31 N1+ ATOM 0 H LYS A 71 -10.118 -6.011 23.755 1.00 4.12 H new ATOM 0 HA LYS A 71 -8.719 -6.990 25.979 1.00 63.14 H new ATOM 0 HB2 LYS A 71 -11.120 -8.232 24.579 1.00 31.22 H new ATOM 0 HB3 LYS A 71 -10.653 -8.465 26.252 1.00 31.22 H new ATOM 0 HG2 LYS A 71 -11.652 -5.879 24.998 1.00 21.55 H new ATOM 0 HG3 LYS A 71 -12.533 -6.909 26.108 1.00 21.55 H new ATOM 0 HD2 LYS A 71 -9.987 -5.358 26.747 1.00 2.45 H new ATOM 0 HD3 LYS A 71 -11.605 -4.935 27.269 1.00 2.45 H new ATOM 0 HE2 LYS A 71 -10.067 -7.444 28.058 1.00 35.25 H new ATOM 0 HE3 LYS A 71 -10.362 -6.051 29.080 1.00 35.25 H new ATOM 0 HZ1 LYS A 71 -11.932 -7.720 29.634 1.00 1.31 H new ATOM 0 HZ2 LYS A 71 -12.784 -6.500 28.816 1.00 1.31 H new ATOM 0 HZ3 LYS A 71 -12.389 -7.944 28.014 1.00 1.31 H new ATOM 1160 N ARG A 72 -8.573 -8.894 23.299 1.00 5.24 N ATOM 1161 CA ARG A 72 -7.852 -10.000 22.654 1.00 64.14 C ATOM 1162 C ARG A 72 -6.343 -9.700 22.542 1.00 1.05 C ATOM 1163 O ARG A 72 -5.506 -10.597 22.675 1.00 3.12 O ATOM 1164 CB ARG A 72 -8.448 -10.254 21.262 1.00 14.02 C ATOM 1165 CG ARG A 72 -7.879 -11.475 20.543 1.00 10.43 C ATOM 1166 CD ARG A 72 -8.224 -12.777 21.264 1.00 22.31 C ATOM 1167 NE ARG A 72 -7.852 -13.947 20.472 1.00 71.32 N ATOM 1168 CZ ARG A 72 -8.684 -14.625 19.727 1.00 4.12 C ATOM 1169 NH1 ARG A 72 -9.947 -14.322 19.693 1.00 51.11 N1+ ATOM 1170 NH2 ARG A 72 -8.254 -15.613 19.015 1.00 14.24 N ATOM 0 H ARG A 72 -9.170 -8.364 22.663 1.00 5.24 H new ATOM 0 HA ARG A 72 -7.965 -10.892 23.270 1.00 64.14 H new ATOM 0 HB2 ARG A 72 -9.527 -10.375 21.359 1.00 14.02 H new ATOM 0 HB3 ARG A 72 -8.281 -9.373 20.643 1.00 14.02 H new ATOM 0 HG2 ARG A 72 -8.268 -11.510 19.525 1.00 10.43 H new ATOM 0 HG3 ARG A 72 -6.796 -11.379 20.467 1.00 10.43 H new ATOM 0 HD2 ARG A 72 -7.709 -12.809 22.224 1.00 22.31 H new ATOM 0 HD3 ARG A 72 -9.293 -12.805 21.474 1.00 22.31 H new ATOM 0 HE ARG A 72 -6.880 -14.254 20.503 1.00 71.32 H new ATOM 0 HH11 ARG A 72 -10.301 -13.546 20.253 1.00 51.11 H new ATOM 0 HH12 ARG A 72 -10.585 -14.860 19.107 1.00 51.11 H new ATOM 0 HH21 ARG A 72 -7.265 -15.864 19.035 1.00 14.24 H new ATOM 0 HH22 ARG A 72 -8.903 -16.143 18.433 1.00 14.24 H new ATOM 1184 N ALA A 73 -6.008 -8.431 22.307 1.00 13.43 N ATOM 1185 CA ALA A 73 -4.613 -7.995 22.162 1.00 52.14 C ATOM 1186 C ALA A 73 -3.796 -8.288 23.428 1.00 70.43 C ATOM 1187 O ALA A 73 -2.602 -8.569 23.356 1.00 55.22 O ATOM 1188 CB ALA A 73 -4.553 -6.508 21.825 1.00 34.01 C ATOM 0 H ALA A 73 -6.689 -7.678 22.212 1.00 13.43 H new ATOM 0 HA ALA A 73 -4.172 -8.563 21.343 1.00 52.14 H new ATOM 0 HB1 ALA A 73 -3.513 -6.200 21.721 1.00 34.01 H new ATOM 0 HB2 ALA A 73 -5.081 -6.325 20.889 1.00 34.01 H new ATOM 0 HB3 ALA A 73 -5.023 -5.935 22.624 1.00 34.01 H new ATOM 1194 N LYS A 74 -4.458 -8.243 24.581 1.00 71.11 N ATOM 1195 CA LYS A 74 -3.816 -8.523 25.873 1.00 71.02 C ATOM 1196 C LYS A 74 -3.077 -9.876 25.842 1.00 45.42 C ATOM 1197 O LYS A 74 -1.979 -10.017 26.387 1.00 23.03 O ATOM 1198 CB LYS A 74 -4.896 -8.538 26.962 1.00 13.13 C ATOM 1199 CG LYS A 74 -4.378 -8.739 28.381 1.00 34.24 C ATOM 1200 CD LYS A 74 -3.544 -7.554 28.859 1.00 60.13 C ATOM 1201 CE LYS A 74 -3.316 -7.607 30.364 1.00 50.23 C ATOM 1202 NZ LYS A 74 -4.602 -7.596 31.112 1.00 60.44 N1+ ATOM 0 H LYS A 74 -5.449 -8.013 24.652 1.00 71.11 H new ATOM 0 HA LYS A 74 -3.079 -7.748 26.084 1.00 71.02 H new ATOM 0 HB2 LYS A 74 -5.444 -7.597 26.922 1.00 13.13 H new ATOM 0 HB3 LYS A 74 -5.608 -9.332 26.735 1.00 13.13 H new ATOM 0 HG2 LYS A 74 -5.220 -8.885 29.057 1.00 34.24 H new ATOM 0 HG3 LYS A 74 -3.775 -9.646 28.422 1.00 34.24 H new ATOM 0 HD2 LYS A 74 -2.584 -7.552 28.344 1.00 60.13 H new ATOM 0 HD3 LYS A 74 -4.048 -6.623 28.598 1.00 60.13 H new ATOM 0 HE2 LYS A 74 -2.755 -8.507 30.616 1.00 50.23 H new ATOM 0 HE3 LYS A 74 -2.708 -6.756 30.671 1.00 50.23 H new ATOM 0 HZ1 LYS A 74 -4.445 -7.215 32.067 1.00 60.44 H new ATOM 0 HZ2 LYS A 74 -5.290 -6.999 30.610 1.00 60.44 H new ATOM 0 HZ3 LYS A 74 -4.971 -8.566 31.182 1.00 60.44 H new ATOM 1216 N LYS A 75 -3.697 -10.858 25.195 1.00 14.25 N ATOM 1217 CA LYS A 75 -3.086 -12.175 24.976 1.00 23.42 C ATOM 1218 C LYS A 75 -1.841 -12.078 24.068 1.00 25.11 C ATOM 1219 O LYS A 75 -0.843 -12.771 24.283 1.00 73.33 O ATOM 1220 CB LYS A 75 -4.151 -13.123 24.387 1.00 3.34 C ATOM 1221 CG LYS A 75 -3.622 -14.447 23.824 1.00 60.01 C ATOM 1222 CD LYS A 75 -3.354 -14.364 22.319 1.00 75.31 C ATOM 1223 CE LYS A 75 -2.861 -15.689 21.752 1.00 2.13 C ATOM 1224 NZ LYS A 75 -1.569 -16.108 22.353 1.00 32.22 N1+ ATOM 0 H LYS A 75 -4.636 -10.769 24.806 1.00 14.25 H new ATOM 0 HA LYS A 75 -2.738 -12.576 25.928 1.00 23.42 H new ATOM 0 HB2 LYS A 75 -4.882 -13.346 25.164 1.00 3.34 H new ATOM 0 HB3 LYS A 75 -4.680 -12.597 23.592 1.00 3.34 H new ATOM 0 HG2 LYS A 75 -2.702 -14.719 24.342 1.00 60.01 H new ATOM 0 HG3 LYS A 75 -4.345 -15.239 24.020 1.00 60.01 H new ATOM 0 HD2 LYS A 75 -4.268 -14.067 21.804 1.00 75.31 H new ATOM 0 HD3 LYS A 75 -2.613 -13.589 22.125 1.00 75.31 H new ATOM 0 HE2 LYS A 75 -3.610 -16.460 21.930 1.00 2.13 H new ATOM 0 HE3 LYS A 75 -2.746 -15.600 20.672 1.00 2.13 H new ATOM 0 HZ1 LYS A 75 -1.187 -16.918 21.825 1.00 32.22 H new ATOM 0 HZ2 LYS A 75 -0.894 -15.318 22.311 1.00 32.22 H new ATOM 0 HZ3 LYS A 75 -1.720 -16.382 23.345 1.00 32.22 H new ATOM 1238 N LEU A 76 -1.901 -11.208 23.061 1.00 54.25 N ATOM 1239 CA LEU A 76 -0.784 -11.015 22.121 1.00 63.11 C ATOM 1240 C LEU A 76 0.429 -10.358 22.807 1.00 20.24 C ATOM 1241 O LEU A 76 1.578 -10.708 22.530 1.00 64.43 O ATOM 1242 CB LEU A 76 -1.241 -10.166 20.928 1.00 12.31 C ATOM 1243 CG LEU A 76 -2.412 -10.750 20.117 1.00 43.20 C ATOM 1244 CD1 LEU A 76 -2.830 -9.796 19.001 1.00 1.31 C ATOM 1245 CD2 LEU A 76 -2.044 -12.120 19.547 1.00 65.03 C ATOM 0 H LEU A 76 -2.713 -10.620 22.870 1.00 54.25 H new ATOM 0 HA LEU A 76 -0.472 -11.998 21.767 1.00 63.11 H new ATOM 0 HB2 LEU A 76 -1.529 -9.180 21.293 1.00 12.31 H new ATOM 0 HB3 LEU A 76 -0.393 -10.022 20.259 1.00 12.31 H new ATOM 0 HG LEU A 76 -3.260 -10.876 20.790 1.00 43.20 H new ATOM 0 HD11 LEU A 76 -3.659 -10.231 18.442 1.00 1.31 H new ATOM 0 HD12 LEU A 76 -3.143 -8.845 19.433 1.00 1.31 H new ATOM 0 HD13 LEU A 76 -1.987 -9.630 18.330 1.00 1.31 H new ATOM 0 HD21 LEU A 76 -2.885 -12.515 18.977 1.00 65.03 H new ATOM 0 HD22 LEU A 76 -1.177 -12.021 18.893 1.00 65.03 H new ATOM 0 HD23 LEU A 76 -1.807 -12.802 20.363 1.00 65.03 H new ATOM 1257 N LEU A 77 0.158 -9.422 23.719 1.00 62.11 N ATOM 1258 CA LEU A 77 1.212 -8.714 24.470 1.00 52.02 C ATOM 1259 C LEU A 77 2.144 -9.686 25.216 1.00 42.32 C ATOM 1260 O LEU A 77 3.336 -9.415 25.382 1.00 32.32 O ATOM 1261 CB LEU A 77 0.580 -7.729 25.472 1.00 12.20 C ATOM 1262 CG LEU A 77 0.241 -6.326 24.929 1.00 14.32 C ATOM 1263 CD1 LEU A 77 -0.525 -6.402 23.610 1.00 15.43 C ATOM 1264 CD2 LEU A 77 -0.559 -5.541 25.967 1.00 74.44 C ATOM 0 H LEU A 77 -0.789 -9.131 23.961 1.00 62.11 H new ATOM 0 HA LEU A 77 1.814 -8.167 23.744 1.00 52.02 H new ATOM 0 HB2 LEU A 77 -0.335 -8.176 25.860 1.00 12.20 H new ATOM 0 HB3 LEU A 77 1.261 -7.614 26.315 1.00 12.20 H new ATOM 0 HG LEU A 77 1.179 -5.807 24.733 1.00 14.32 H new ATOM 0 HD11 LEU A 77 -0.746 -5.394 23.259 1.00 15.43 H new ATOM 0 HD12 LEU A 77 0.081 -6.921 22.867 1.00 15.43 H new ATOM 0 HD13 LEU A 77 -1.457 -6.946 23.762 1.00 15.43 H new ATOM 0 HD21 LEU A 77 -0.793 -4.552 25.574 1.00 74.44 H new ATOM 0 HD22 LEU A 77 -1.485 -6.071 26.190 1.00 74.44 H new ATOM 0 HD23 LEU A 77 0.029 -5.439 26.879 1.00 74.44 H new ATOM 1276 N ARG A 78 1.595 -10.817 25.662 1.00 51.04 N ATOM 1277 CA ARG A 78 2.368 -11.815 26.417 1.00 35.34 C ATOM 1278 C ARG A 78 3.617 -12.273 25.643 1.00 5.34 C ATOM 1279 O ARG A 78 4.674 -12.500 26.230 1.00 33.21 O ATOM 1280 CB ARG A 78 1.489 -13.033 26.749 1.00 43.13 C ATOM 1281 CG ARG A 78 0.223 -12.699 27.534 1.00 24.42 C ATOM 1282 CD ARG A 78 0.531 -12.064 28.887 1.00 21.12 C ATOM 1283 NE ARG A 78 -0.687 -11.804 29.653 1.00 63.01 N ATOM 1284 CZ ARG A 78 -0.751 -11.034 30.706 1.00 15.14 C ATOM 1285 NH1 ARG A 78 0.304 -10.443 31.167 1.00 21.40 N1+ ATOM 1286 NH2 ARG A 78 -1.880 -10.851 31.303 1.00 12.23 N ATOM 0 H ARG A 78 0.617 -11.069 25.515 1.00 51.04 H new ATOM 0 HA ARG A 78 2.698 -11.341 27.341 1.00 35.34 H new ATOM 0 HB2 ARG A 78 1.206 -13.527 25.819 1.00 43.13 H new ATOM 0 HB3 ARG A 78 2.080 -13.747 27.322 1.00 43.13 H new ATOM 0 HG2 ARG A 78 -0.396 -12.019 26.949 1.00 24.42 H new ATOM 0 HG3 ARG A 78 -0.358 -13.609 27.686 1.00 24.42 H new ATOM 0 HD2 ARG A 78 1.186 -12.723 29.457 1.00 21.12 H new ATOM 0 HD3 ARG A 78 1.072 -11.130 28.736 1.00 21.12 H new ATOM 0 HE ARG A 78 -1.547 -12.256 29.343 1.00 63.01 H new ATOM 0 HH11 ARG A 78 1.205 -10.575 30.707 1.00 21.40 H new ATOM 0 HH12 ARG A 78 0.235 -9.845 31.991 1.00 21.40 H new ATOM 0 HH21 ARG A 78 -2.722 -11.308 30.953 1.00 12.23 H new ATOM 0 HH22 ARG A 78 -1.930 -10.250 32.125 1.00 12.23 H new ATOM 1300 N SER A 79 3.491 -12.385 24.320 1.00 32.42 N ATOM 1301 CA SER A 79 4.603 -12.827 23.465 1.00 52.02 C ATOM 1302 C SER A 79 5.737 -11.790 23.425 1.00 33.01 C ATOM 1303 O SER A 79 6.904 -12.134 23.239 1.00 71.31 O ATOM 1304 CB SER A 79 4.101 -13.105 22.039 1.00 52.53 C ATOM 1305 OG SER A 79 3.073 -14.088 22.034 1.00 13.42 O ATOM 0 H SER A 79 2.631 -12.176 23.813 1.00 32.42 H new ATOM 0 HA SER A 79 5.002 -13.745 23.896 1.00 52.02 H new ATOM 0 HB2 SER A 79 3.726 -12.182 21.597 1.00 52.53 H new ATOM 0 HB3 SER A 79 4.931 -13.441 21.418 1.00 52.53 H new ATOM 0 HG SER A 79 3.454 -14.958 21.793 1.00 13.42 H new ATOM 1311 N TRP A 80 5.385 -10.517 23.601 1.00 50.54 N ATOM 1312 CA TRP A 80 6.368 -9.425 23.583 1.00 53.10 C ATOM 1313 C TRP A 80 7.086 -9.308 24.940 1.00 60.13 C ATOM 1314 O TRP A 80 8.279 -9.011 25.012 1.00 2.21 O ATOM 1315 CB TRP A 80 5.673 -8.090 23.263 1.00 14.21 C ATOM 1316 CG TRP A 80 4.826 -8.102 22.020 1.00 64.40 C ATOM 1317 CD1 TRP A 80 4.689 -9.117 21.113 1.00 11.45 C ATOM 1318 CD2 TRP A 80 3.993 -7.034 21.549 1.00 71.21 C ATOM 1319 NE1 TRP A 80 3.821 -8.746 20.116 1.00 30.32 N ATOM 1320 CE2 TRP A 80 3.383 -7.471 20.359 1.00 12.43 C ATOM 1321 CE3 TRP A 80 3.707 -5.749 22.019 1.00 54.25 C ATOM 1322 CZ2 TRP A 80 2.502 -6.673 19.636 1.00 5.42 C ATOM 1323 CZ3 TRP A 80 2.831 -4.957 21.300 1.00 3.04 C ATOM 1324 CH2 TRP A 80 2.238 -5.421 20.119 1.00 62.15 C ATOM 0 H TRP A 80 4.424 -10.212 23.758 1.00 50.54 H new ATOM 0 HA TRP A 80 7.104 -9.651 22.812 1.00 53.10 H new ATOM 0 HB2 TRP A 80 5.046 -7.811 24.110 1.00 14.21 H new ATOM 0 HB3 TRP A 80 6.434 -7.316 23.160 1.00 14.21 H new ATOM 0 HD1 TRP A 80 5.191 -10.072 21.173 1.00 11.45 H new ATOM 0 HE1 TRP A 80 3.547 -9.326 19.323 1.00 30.32 H new ATOM 0 HE3 TRP A 80 4.162 -5.382 22.927 1.00 54.25 H new ATOM 0 HZ2 TRP A 80 2.043 -7.030 18.726 1.00 5.42 H new ATOM 0 HZ3 TRP A 80 2.600 -3.964 21.655 1.00 3.04 H new ATOM 0 HH2 TRP A 80 1.559 -4.778 19.579 1.00 62.15 H new ATOM 1335 N GLN A 81 6.337 -9.559 26.012 1.00 22.13 N ATOM 1336 CA GLN A 81 6.833 -9.399 27.386 1.00 34.05 C ATOM 1337 C GLN A 81 7.990 -10.357 27.731 1.00 51.31 C ATOM 1338 O GLN A 81 8.722 -10.126 28.694 1.00 35.22 O ATOM 1339 CB GLN A 81 5.681 -9.575 28.384 1.00 43.11 C ATOM 1340 CG GLN A 81 4.554 -8.554 28.214 1.00 32.21 C ATOM 1341 CD GLN A 81 5.016 -7.114 28.404 1.00 71.25 C ATOM 1342 OE1 GLN A 81 4.991 -6.582 29.504 1.00 4.10 O ATOM 1343 NE2 GLN A 81 5.431 -6.465 27.330 1.00 3.31 N ATOM 0 H GLN A 81 5.370 -9.879 25.958 1.00 22.13 H new ATOM 0 HA GLN A 81 7.237 -8.389 27.459 1.00 34.05 H new ATOM 0 HB2 GLN A 81 5.269 -10.578 28.275 1.00 43.11 H new ATOM 0 HB3 GLN A 81 6.076 -9.501 29.397 1.00 43.11 H new ATOM 0 HG2 GLN A 81 4.121 -8.662 27.219 1.00 32.21 H new ATOM 0 HG3 GLN A 81 3.763 -8.773 28.931 1.00 32.21 H new ATOM 0 HE21 GLN A 81 5.442 -6.933 26.424 1.00 3.31 H new ATOM 0 HE22 GLN A 81 5.741 -5.496 27.407 1.00 3.31 H new ATOM 1352 N LYS A 82 8.171 -11.422 26.945 1.00 60.23 N ATOM 1353 CA LYS A 82 9.187 -12.442 27.259 1.00 72.25 C ATOM 1354 C LYS A 82 10.601 -11.842 27.338 1.00 34.40 C ATOM 1355 O LYS A 82 11.505 -12.433 27.931 1.00 2.54 O ATOM 1356 CB LYS A 82 9.144 -13.592 26.225 1.00 13.21 C ATOM 1357 CG LYS A 82 9.491 -13.206 24.775 1.00 3.23 C ATOM 1358 CD LYS A 82 10.998 -13.030 24.537 1.00 32.32 C ATOM 1359 CE LYS A 82 11.793 -14.295 24.850 1.00 31.15 C ATOM 1360 NZ LYS A 82 13.263 -14.066 24.779 1.00 4.20 N1+ ATOM 0 H LYS A 82 7.637 -11.603 26.095 1.00 60.23 H new ATOM 0 HA LYS A 82 8.947 -12.844 28.243 1.00 72.25 H new ATOM 0 HB2 LYS A 82 9.834 -14.371 26.548 1.00 13.21 H new ATOM 0 HB3 LYS A 82 8.145 -14.027 26.236 1.00 13.21 H new ATOM 0 HG2 LYS A 82 9.111 -13.974 24.101 1.00 3.23 H new ATOM 0 HG3 LYS A 82 8.979 -12.278 24.521 1.00 3.23 H new ATOM 0 HD2 LYS A 82 11.167 -12.746 23.498 1.00 32.32 H new ATOM 0 HD3 LYS A 82 11.367 -12.211 25.155 1.00 32.32 H new ATOM 0 HE2 LYS A 82 11.530 -14.651 25.846 1.00 31.15 H new ATOM 0 HE3 LYS A 82 11.515 -15.080 24.147 1.00 31.15 H new ATOM 0 HZ1 LYS A 82 13.763 -14.951 24.998 1.00 4.20 H new ATOM 0 HZ2 LYS A 82 13.520 -13.752 23.821 1.00 4.20 H new ATOM 0 HZ3 LYS A 82 13.534 -13.335 25.468 1.00 4.20 H new ATOM 1374 N LEU A 83 10.785 -10.671 26.731 1.00 63.44 N ATOM 1375 CA LEU A 83 12.075 -9.972 26.753 1.00 32.43 C ATOM 1376 C LEU A 83 12.444 -9.534 28.182 1.00 2.41 C ATOM 1377 O LEU A 83 13.613 -9.573 28.580 1.00 33.24 O ATOM 1378 CB LEU A 83 12.014 -8.744 25.825 1.00 61.42 C ATOM 1379 CG LEU A 83 13.343 -7.998 25.611 1.00 75.25 C ATOM 1380 CD1 LEU A 83 14.337 -8.869 24.845 1.00 0.01 C ATOM 1381 CD2 LEU A 83 13.107 -6.677 24.881 1.00 23.24 C ATOM 0 H LEU A 83 10.054 -10.181 26.214 1.00 63.44 H new ATOM 0 HA LEU A 83 12.845 -10.658 26.401 1.00 32.43 H new ATOM 0 HB2 LEU A 83 11.639 -9.065 24.853 1.00 61.42 H new ATOM 0 HB3 LEU A 83 11.286 -8.041 26.231 1.00 61.42 H new ATOM 0 HG LEU A 83 13.770 -7.777 26.589 1.00 75.25 H new ATOM 0 HD11 LEU A 83 15.269 -8.321 24.705 1.00 0.01 H new ATOM 0 HD12 LEU A 83 14.533 -9.780 25.410 1.00 0.01 H new ATOM 0 HD13 LEU A 83 13.919 -9.128 23.872 1.00 0.01 H new ATOM 0 HD21 LEU A 83 14.059 -6.165 24.739 1.00 23.24 H new ATOM 0 HD22 LEU A 83 12.653 -6.874 23.910 1.00 23.24 H new ATOM 0 HD23 LEU A 83 12.441 -6.049 25.472 1.00 23.24 H new ATOM 1393 N ILE A 84 11.430 -9.131 28.954 1.00 14.32 N ATOM 1394 CA ILE A 84 11.643 -8.606 30.312 1.00 41.31 C ATOM 1395 C ILE A 84 11.261 -9.615 31.413 1.00 70.04 C ATOM 1396 O ILE A 84 11.724 -9.500 32.550 1.00 54.02 O ATOM 1397 CB ILE A 84 10.847 -7.291 30.529 1.00 13.45 C ATOM 1398 CG1 ILE A 84 9.337 -7.535 30.350 1.00 62.21 C ATOM 1399 CG2 ILE A 84 11.339 -6.208 29.569 1.00 74.01 C ATOM 1400 CD1 ILE A 84 8.482 -6.304 30.566 1.00 62.42 C ATOM 0 H ILE A 84 10.452 -9.157 28.664 1.00 14.32 H new ATOM 0 HA ILE A 84 12.712 -8.412 30.393 1.00 41.31 H new ATOM 0 HB ILE A 84 11.015 -6.948 31.550 1.00 13.45 H new ATOM 0 HG12 ILE A 84 9.158 -7.917 29.345 1.00 62.21 H new ATOM 0 HG13 ILE A 84 9.020 -8.311 31.047 1.00 62.21 H new ATOM 0 HG21 ILE A 84 10.772 -5.292 29.733 1.00 74.01 H new ATOM 0 HG22 ILE A 84 12.397 -6.017 29.748 1.00 74.01 H new ATOM 0 HG23 ILE A 84 11.199 -6.542 28.541 1.00 74.01 H new ATOM 0 HD11 ILE A 84 7.432 -6.560 30.422 1.00 62.42 H new ATOM 0 HD12 ILE A 84 8.629 -5.933 31.580 1.00 62.42 H new ATOM 0 HD13 ILE A 84 8.769 -5.532 29.852 1.00 62.42 H new ATOM 1412 N GLU A 85 10.418 -10.596 31.085 1.00 44.34 N ATOM 1413 CA GLU A 85 9.972 -11.594 32.073 1.00 31.14 C ATOM 1414 C GLU A 85 9.916 -13.014 31.464 1.00 15.10 C ATOM 1415 O GLU A 85 9.971 -13.173 30.243 1.00 35.11 O ATOM 1416 CB GLU A 85 8.607 -11.174 32.657 1.00 12.02 C ATOM 1417 CG GLU A 85 7.482 -11.035 31.634 1.00 62.15 C ATOM 1418 CD GLU A 85 6.198 -10.505 32.264 1.00 51.12 C ATOM 1419 OE1 GLU A 85 5.389 -11.317 32.762 1.00 0.22 O ATOM 1420 OE2 GLU A 85 6.010 -9.270 32.297 1.00 12.44 O1- ATOM 0 H GLU A 85 10.030 -10.725 30.151 1.00 44.34 H new ATOM 0 HA GLU A 85 10.701 -11.631 32.882 1.00 31.14 H new ATOM 0 HB2 GLU A 85 8.308 -11.907 33.406 1.00 12.02 H new ATOM 0 HB3 GLU A 85 8.727 -10.222 33.174 1.00 12.02 H new ATOM 0 HG2 GLU A 85 7.799 -10.363 30.836 1.00 62.15 H new ATOM 0 HG3 GLU A 85 7.287 -12.005 31.175 1.00 62.15 H new ATOM 1427 N PRO A 86 9.812 -14.075 32.304 1.00 51.00 N ATOM 1428 CA PRO A 86 9.851 -15.482 31.835 1.00 10.14 C ATOM 1429 C PRO A 86 8.588 -15.934 31.066 1.00 55.12 C ATOM 1430 O PRO A 86 8.150 -17.079 31.194 1.00 45.32 O ATOM 1431 CB PRO A 86 9.997 -16.274 33.144 1.00 64.15 C ATOM 1432 CG PRO A 86 9.344 -15.418 34.170 1.00 42.01 C ATOM 1433 CD PRO A 86 9.663 -14.000 33.776 1.00 55.31 C ATOM 0 HA PRO A 86 10.655 -15.633 31.115 1.00 10.14 H new ATOM 0 HB2 PRO A 86 9.514 -17.249 33.074 1.00 64.15 H new ATOM 0 HB3 PRO A 86 11.045 -16.454 33.385 1.00 64.15 H new ATOM 0 HG2 PRO A 86 8.267 -15.586 34.193 1.00 42.01 H new ATOM 0 HG3 PRO A 86 9.723 -15.643 35.167 1.00 42.01 H new ATOM 0 HD2 PRO A 86 8.866 -13.314 34.064 1.00 55.31 H new ATOM 0 HD3 PRO A 86 10.576 -13.646 34.254 1.00 55.31 H new ATOM 1441 N ALA A 87 8.030 -15.050 30.240 1.00 63.50 N ATOM 1442 CA ALA A 87 6.875 -15.390 29.401 1.00 62.33 C ATOM 1443 C ALA A 87 7.279 -16.267 28.199 1.00 30.12 C ATOM 1444 O ALA A 87 6.423 -16.738 27.446 1.00 25.41 O ATOM 1445 CB ALA A 87 6.184 -14.115 28.921 1.00 13.33 C ATOM 0 H ALA A 87 8.358 -14.090 30.132 1.00 63.50 H new ATOM 0 HA ALA A 87 6.180 -15.969 30.009 1.00 62.33 H new ATOM 0 HB1 ALA A 87 5.328 -14.377 28.299 1.00 13.33 H new ATOM 0 HB2 ALA A 87 5.844 -13.539 29.782 1.00 13.33 H new ATOM 0 HB3 ALA A 87 6.886 -13.518 28.339 1.00 13.33 H new ATOM 1451 N HIS A 88 8.588 -16.485 28.018 1.00 4.22 N ATOM 1452 CA HIS A 88 9.089 -17.325 26.918 1.00 54.41 C ATOM 1453 C HIS A 88 8.772 -18.812 27.146 1.00 63.33 C ATOM 1454 O HIS A 88 9.628 -19.599 27.547 1.00 44.32 O ATOM 1455 CB HIS A 88 10.598 -17.119 26.693 1.00 54.31 C ATOM 1456 CG HIS A 88 11.444 -17.273 27.923 1.00 34.20 C ATOM 1457 ND1 HIS A 88 11.964 -18.479 28.343 1.00 11.04 N ATOM 1458 CD2 HIS A 88 11.870 -16.354 28.819 1.00 22.13 C ATOM 1459 CE1 HIS A 88 12.671 -18.294 29.440 1.00 61.20 C ATOM 1460 NE2 HIS A 88 12.630 -17.013 29.751 1.00 14.01 N ATOM 0 H HIS A 88 9.317 -16.094 28.615 1.00 4.22 H new ATOM 0 HA HIS A 88 8.567 -17.009 26.015 1.00 54.41 H new ATOM 0 HB2 HIS A 88 10.940 -17.832 25.942 1.00 54.31 H new ATOM 0 HB3 HIS A 88 10.757 -16.122 26.282 1.00 54.31 H new ATOM 0 HD1 HIS A 88 11.823 -19.375 27.877 1.00 11.04 H new ATOM 0 HD2 HIS A 88 11.652 -15.296 28.803 1.00 22.13 H new ATOM 0 HE1 HIS A 88 13.195 -19.061 29.991 1.00 61.20 H new ATOM 1469 N GLN A 89 7.519 -19.169 26.918 1.00 14.55 N ATOM 1470 CA GLN A 89 7.066 -20.560 26.992 1.00 55.35 C ATOM 1471 C GLN A 89 6.033 -20.840 25.892 1.00 44.12 C ATOM 1472 O GLN A 89 5.389 -21.889 25.866 1.00 61.04 O ATOM 1473 CB GLN A 89 6.472 -20.840 28.381 1.00 44.02 C ATOM 1474 CG GLN A 89 5.310 -19.920 28.752 1.00 23.14 C ATOM 1475 CD GLN A 89 4.853 -20.098 30.191 1.00 71.32 C ATOM 1476 OE1 GLN A 89 4.962 -21.176 30.767 1.00 11.33 O ATOM 1477 NE2 GLN A 89 4.330 -19.042 30.781 1.00 10.42 N ATOM 0 H GLN A 89 6.782 -18.507 26.676 1.00 14.55 H new ATOM 0 HA GLN A 89 7.917 -21.223 26.837 1.00 55.35 H new ATOM 0 HB2 GLN A 89 6.130 -21.874 28.418 1.00 44.02 H new ATOM 0 HB3 GLN A 89 7.258 -20.737 29.129 1.00 44.02 H new ATOM 0 HG2 GLN A 89 5.609 -18.884 28.596 1.00 23.14 H new ATOM 0 HG3 GLN A 89 4.472 -20.114 28.083 1.00 23.14 H new ATOM 0 HE21 GLN A 89 4.254 -18.160 30.274 1.00 10.42 H new ATOM 0 HE22 GLN A 89 4.002 -19.107 31.745 1.00 10.42 H new ATOM 1486 N HIS A 90 5.911 -19.891 24.968 1.00 13.05 N ATOM 1487 CA HIS A 90 4.939 -19.975 23.875 1.00 35.11 C ATOM 1488 C HIS A 90 5.393 -19.135 22.675 1.00 31.15 C ATOM 1489 O HIS A 90 5.201 -19.531 21.528 1.00 24.30 O ATOM 1490 CB HIS A 90 3.561 -19.492 24.352 1.00 44.42 C ATOM 1491 CG HIS A 90 2.479 -19.632 23.319 1.00 22.33 C ATOM 1492 ND1 HIS A 90 2.312 -18.750 22.270 1.00 12.23 N ATOM 1493 CD2 HIS A 90 1.505 -20.564 23.177 1.00 75.01 C ATOM 1494 CE1 HIS A 90 1.289 -19.134 21.534 1.00 23.25 C ATOM 1495 NE2 HIS A 90 0.782 -20.229 22.061 1.00 13.02 N ATOM 0 H HIS A 90 6.479 -19.044 24.953 1.00 13.05 H new ATOM 0 HA HIS A 90 4.868 -21.017 23.564 1.00 35.11 H new ATOM 0 HB2 HIS A 90 3.277 -20.055 25.241 1.00 44.42 H new ATOM 0 HB3 HIS A 90 3.635 -18.445 24.647 1.00 44.42 H new ATOM 0 HD1 HIS A 90 2.891 -17.929 22.092 1.00 12.23 H new ATOM 0 HD2 HIS A 90 1.331 -21.412 23.822 1.00 75.01 H new ATOM 0 HE1 HIS A 90 0.927 -18.635 20.647 1.00 23.25 H new ATOM 1504 N GLU A 91 5.974 -17.961 22.959 1.00 14.11 N ATOM 1505 CA GLU A 91 6.459 -17.045 21.913 1.00 0.23 C ATOM 1506 C GLU A 91 5.316 -16.564 20.999 1.00 12.50 C ATOM 1507 O GLU A 91 4.133 -16.718 21.326 1.00 3.13 O ATOM 1508 CB GLU A 91 7.567 -17.720 21.083 1.00 11.32 C ATOM 1509 CG GLU A 91 8.858 -17.983 21.860 1.00 54.14 C ATOM 1510 CD GLU A 91 9.587 -16.706 22.253 1.00 60.10 C ATOM 1511 OE1 GLU A 91 9.951 -15.922 21.349 1.00 3.23 O ATOM 1512 OE2 GLU A 91 9.826 -16.498 23.462 1.00 41.02 O1- ATOM 0 H GLU A 91 6.121 -17.621 23.909 1.00 14.11 H new ATOM 0 HA GLU A 91 6.872 -16.166 22.408 1.00 0.23 H new ATOM 0 HB2 GLU A 91 7.190 -18.666 20.695 1.00 11.32 H new ATOM 0 HB3 GLU A 91 7.795 -17.091 20.222 1.00 11.32 H new ATOM 0 HG2 GLU A 91 8.624 -18.553 22.759 1.00 54.14 H new ATOM 0 HG3 GLU A 91 9.521 -18.601 21.254 1.00 54.14 H new ATOM 1519 N ALA A 92 5.675 -15.948 19.874 1.00 64.13 N ATOM 1520 CA ALA A 92 4.690 -15.474 18.891 1.00 65.35 C ATOM 1521 C ALA A 92 4.305 -16.590 17.898 1.00 51.41 C ATOM 1522 O ALA A 92 3.209 -17.181 18.049 1.00 36.86 O ATOM 1523 CB ALA A 92 5.235 -14.252 18.148 1.00 72.11 C ATOM 1524 OXT ALA A 92 5.109 -16.885 16.986 1.00 36.86 O ATOM 0 H ALA A 92 6.644 -15.763 19.616 1.00 64.13 H new ATOM 0 HA ALA A 92 3.786 -15.186 19.427 1.00 65.35 H new ATOM 0 HB1 ALA A 92 4.498 -13.909 17.422 1.00 72.11 H new ATOM 0 HB2 ALA A 92 5.440 -13.454 18.862 1.00 72.11 H new ATOM 0 HB3 ALA A 92 6.156 -14.522 17.630 1.00 72.11 H new TER 1530 ALA A 92