USER MOD reduce.3.24.130724 H: found=0, std=0, add=912, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 912 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 59 SER OG : rot 138:sc= 0.128 USER MOD Set 1.2: A 62 THR OG1 : rot -44:sc= 1.18 USER MOD Set 2.1: A 22 THR OG1 : rot 68:sc= 1.62 USER MOD Set 2.2: A 33 THR OG1 : rot 153:sc= 1.53 USER MOD Set 3.1: A 8 HIS : no HD1:sc= -2.39 K(o=-4.1,f=-4.9!) USER MOD Set 3.2: A 27 TYR OH : rot -70:sc= -1.75 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 36:sc= 0.735 USER MOD Single : A 5 LYS NZ :NH3+ 173:sc= -0.512 (180deg=-0.584) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 165:sc= -0.0432 (180deg=-0.4) USER MOD Single : A 13 THR OG1 : rot -13:sc= -0.385 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 150:sc= -0.442 (180deg=-1.26) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN :FLIP amide:sc= -0.135 F(o=-0.7,f=-0.13) USER MOD Single : A 32 MET CE :methyl 168:sc= 0 (180deg=-0.0521) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.197 X(o=-0.2,f=-0.023) USER MOD Single : A 48 LYS NZ :NH3+ 155:sc= -0.169 (180deg=-0.323) USER MOD Single : A 49 LYS NZ :NH3+ 168:sc=-0.00829 (180deg=-0.146) USER MOD Single : A 53 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.219) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 159:sc=-0.00578 (180deg=-0.282) USER MOD Single : A 71 LYS NZ :NH3+ 155:sc= -0.613 (180deg=-1.68!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc=-0.00556 (180deg=-0.00556) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 THR OG1 : rot 150:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -0.117 K(o=-0.12,f=-1.7) USER MOD Single : A 106 GLN : amide:sc= -0.0504 X(o=-0.05,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 10.529 25.013 -5.567 1.00 0.00 N ATOM 2 CA ALA A 1 11.231 24.982 -4.256 1.00 0.00 C ATOM 3 C ALA A 1 11.381 23.549 -3.752 1.00 0.00 C ATOM 4 O ALA A 1 12.496 23.066 -3.552 1.00 0.00 O ATOM 5 CB ALA A 1 10.479 25.823 -3.237 1.00 0.00 C ATOM 0 H1 ALA A 1 10.439 25.998 -5.889 1.00 0.00 H new ATOM 0 H2 ALA A 1 11.074 24.469 -6.266 1.00 0.00 H new ATOM 0 H3 ALA A 1 9.583 24.594 -5.464 1.00 0.00 H new ATOM 0 HA ALA A 1 12.228 25.401 -4.393 1.00 0.00 H new ATOM 0 HB1 ALA A 1 11.003 25.792 -2.282 1.00 0.00 H new ATOM 0 HB2 ALA A 1 10.423 26.854 -3.587 1.00 0.00 H new ATOM 0 HB3 ALA A 1 9.471 25.427 -3.111 1.00 0.00 H new ATOM 13 N THR A 2 10.254 22.877 -3.552 1.00 0.00 N ATOM 14 CA THR A 2 10.260 21.500 -3.072 1.00 0.00 C ATOM 15 C THR A 2 9.880 20.535 -4.190 1.00 0.00 C ATOM 16 O THR A 2 8.700 20.300 -4.448 1.00 0.00 O ATOM 17 CB THR A 2 9.294 21.343 -1.896 1.00 0.00 C ATOM 18 OG1 THR A 2 9.069 19.973 -1.612 1.00 0.00 O ATOM 19 CG2 THR A 2 7.947 21.990 -2.138 1.00 0.00 C ATOM 0 H THR A 2 9.324 23.263 -3.715 1.00 0.00 H new ATOM 0 HA THR A 2 11.269 21.262 -2.737 1.00 0.00 H new ATOM 0 HB THR A 2 9.775 21.846 -1.057 1.00 0.00 H new ATOM 0 HG1 THR A 2 8.450 19.893 -0.856 1.00 0.00 H new ATOM 0 HG21 THR A 2 7.310 21.842 -1.266 1.00 0.00 H new ATOM 0 HG22 THR A 2 8.082 23.058 -2.312 1.00 0.00 H new ATOM 0 HG23 THR A 2 7.477 21.537 -3.011 1.00 0.00 H new ATOM 27 N SER A 3 10.890 19.979 -4.852 1.00 0.00 N ATOM 28 CA SER A 3 10.662 19.039 -5.944 1.00 0.00 C ATOM 29 C SER A 3 10.212 17.682 -5.411 1.00 0.00 C ATOM 30 O SER A 3 10.848 17.111 -4.524 1.00 0.00 O ATOM 31 CB SER A 3 11.932 18.876 -6.779 1.00 0.00 C ATOM 32 OG SER A 3 12.548 20.128 -7.023 1.00 0.00 O ATOM 0 H SER A 3 11.873 20.163 -4.652 1.00 0.00 H new ATOM 0 HA SER A 3 9.870 19.441 -6.575 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.630 18.219 -6.260 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.688 18.397 -7.727 1.00 0.00 H new ATOM 0 HG SER A 3 13.359 19.995 -7.557 1.00 0.00 H new ATOM 38 N THR A 4 9.113 17.173 -5.956 1.00 0.00 N ATOM 39 CA THR A 4 8.578 15.883 -5.535 1.00 0.00 C ATOM 40 C THR A 4 9.509 14.747 -5.947 1.00 0.00 C ATOM 41 O THR A 4 9.554 14.361 -7.114 1.00 0.00 O ATOM 42 CB THR A 4 7.189 15.663 -6.135 1.00 0.00 C ATOM 43 OG1 THR A 4 7.239 15.720 -7.550 1.00 0.00 O ATOM 44 CG2 THR A 4 6.168 16.681 -5.671 1.00 0.00 C ATOM 0 H THR A 4 8.575 17.634 -6.690 1.00 0.00 H new ATOM 0 HA THR A 4 8.500 15.888 -4.448 1.00 0.00 H new ATOM 0 HB THR A 4 6.878 14.677 -5.790 1.00 0.00 H new ATOM 0 HG1 THR A 4 8.082 15.330 -7.864 1.00 0.00 H new ATOM 0 HG21 THR A 4 5.205 16.467 -6.134 1.00 0.00 H new ATOM 0 HG22 THR A 4 6.069 16.629 -4.587 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.495 17.681 -5.958 1.00 0.00 H new ATOM 52 N LYS A 5 10.248 14.215 -4.979 1.00 0.00 N ATOM 53 CA LYS A 5 11.178 13.122 -5.238 1.00 0.00 C ATOM 54 C LYS A 5 10.462 11.776 -5.192 1.00 0.00 C ATOM 55 O LYS A 5 9.405 11.647 -4.573 1.00 0.00 O ATOM 56 CB LYS A 5 12.320 13.143 -4.222 1.00 0.00 C ATOM 57 CG LYS A 5 11.852 13.034 -2.779 1.00 0.00 C ATOM 58 CD LYS A 5 12.155 11.664 -2.193 1.00 0.00 C ATOM 59 CE LYS A 5 11.374 11.420 -0.912 1.00 0.00 C ATOM 60 NZ LYS A 5 10.013 10.882 -1.187 1.00 0.00 N ATOM 0 H LYS A 5 10.221 14.523 -4.007 1.00 0.00 H new ATOM 0 HA LYS A 5 11.591 13.259 -6.238 1.00 0.00 H new ATOM 0 HB2 LYS A 5 13.002 12.320 -4.437 1.00 0.00 H new ATOM 0 HB3 LYS A 5 12.886 14.067 -4.343 1.00 0.00 H new ATOM 0 HG2 LYS A 5 12.339 13.803 -2.179 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.780 13.223 -2.729 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.909 10.893 -2.923 1.00 0.00 H new ATOM 0 HD3 LYS A 5 13.223 11.582 -1.990 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.921 10.719 -0.281 1.00 0.00 H new ATOM 0 HE3 LYS A 5 11.290 12.353 -0.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.556 10.618 -0.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.443 11.608 -1.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.088 10.043 -1.798 1.00 0.00 H new ATOM 74 N LYS A 6 11.041 10.778 -5.850 1.00 0.00 N ATOM 75 CA LYS A 6 10.455 9.445 -5.885 1.00 0.00 C ATOM 76 C LYS A 6 10.528 8.780 -4.512 1.00 0.00 C ATOM 77 O LYS A 6 11.545 8.865 -3.823 1.00 0.00 O ATOM 78 CB LYS A 6 11.169 8.576 -6.921 1.00 0.00 C ATOM 79 CG LYS A 6 10.247 7.609 -7.645 1.00 0.00 C ATOM 80 CD LYS A 6 10.014 8.031 -9.087 1.00 0.00 C ATOM 81 CE LYS A 6 9.713 6.835 -9.976 1.00 0.00 C ATOM 82 NZ LYS A 6 9.642 7.215 -11.414 1.00 0.00 N ATOM 0 H LYS A 6 11.916 10.868 -6.366 1.00 0.00 H new ATOM 0 HA LYS A 6 9.407 9.546 -6.166 1.00 0.00 H new ATOM 0 HB2 LYS A 6 11.652 9.222 -7.654 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.958 8.010 -6.426 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.679 6.608 -7.623 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.292 7.555 -7.122 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.184 8.736 -9.131 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.895 8.552 -9.462 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.484 6.077 -9.839 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.767 6.386 -9.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.435 6.372 -11.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.889 7.919 -11.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 10.553 7.620 -11.711 1.00 0.00 H new ATOM 96 N LEU A 7 9.441 8.122 -4.124 1.00 0.00 N ATOM 97 CA LEU A 7 9.376 7.441 -2.836 1.00 0.00 C ATOM 98 C LEU A 7 10.154 6.130 -2.871 1.00 0.00 C ATOM 99 O LEU A 7 9.850 5.240 -3.665 1.00 0.00 O ATOM 100 CB LEU A 7 7.917 7.173 -2.455 1.00 0.00 C ATOM 101 CG LEU A 7 7.628 7.162 -0.951 1.00 0.00 C ATOM 102 CD1 LEU A 7 8.257 5.944 -0.295 1.00 0.00 C ATOM 103 CD2 LEU A 7 8.133 8.442 -0.304 1.00 0.00 C ATOM 0 H LEU A 7 8.592 8.046 -4.684 1.00 0.00 H new ATOM 0 HA LEU A 7 9.830 8.089 -2.086 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.290 7.932 -2.924 1.00 0.00 H new ATOM 0 HB3 LEU A 7 7.620 6.211 -2.873 1.00 0.00 H new ATOM 0 HG LEU A 7 6.549 7.107 -0.807 1.00 0.00 H new ATOM 0 HD11 LEU A 7 8.041 5.954 0.773 1.00 0.00 H new ATOM 0 HD12 LEU A 7 7.846 5.038 -0.740 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.336 5.965 -0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.920 8.418 0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 7 9.209 8.527 -0.458 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.633 9.299 -0.755 1.00 0.00 H new ATOM 115 N HIS A 8 11.157 6.018 -2.006 1.00 0.00 N ATOM 116 CA HIS A 8 11.976 4.812 -1.941 1.00 0.00 C ATOM 117 C HIS A 8 11.182 3.652 -1.347 1.00 0.00 C ATOM 118 O HIS A 8 10.198 3.858 -0.638 1.00 0.00 O ATOM 119 CB HIS A 8 13.235 5.065 -1.111 1.00 0.00 C ATOM 120 CG HIS A 8 12.968 5.746 0.195 1.00 0.00 C ATOM 121 ND1 HIS A 8 13.064 7.112 0.366 1.00 0.00 N ATOM 122 CD2 HIS A 8 12.608 5.244 1.400 1.00 0.00 C ATOM 123 CE1 HIS A 8 12.776 7.420 1.617 1.00 0.00 C ATOM 124 NE2 HIS A 8 12.495 6.304 2.266 1.00 0.00 N ATOM 0 H HIS A 8 11.422 6.745 -1.342 1.00 0.00 H new ATOM 0 HA HIS A 8 12.271 4.547 -2.956 1.00 0.00 H new ATOM 0 HB2 HIS A 8 13.731 4.113 -0.920 1.00 0.00 H new ATOM 0 HB3 HIS A 8 13.927 5.673 -1.693 1.00 0.00 H new ATOM 0 HD2 HIS A 8 12.441 4.203 1.636 1.00 0.00 H new ATOM 0 HE1 HIS A 8 12.771 8.415 2.038 1.00 0.00 H new ATOM 0 HE2 HIS A 8 12.236 6.240 3.251 1.00 0.00 H new ATOM 133 N LYS A 9 11.611 2.431 -1.652 1.00 0.00 N ATOM 134 CA LYS A 9 10.934 1.239 -1.155 1.00 0.00 C ATOM 135 C LYS A 9 11.588 0.718 0.122 1.00 0.00 C ATOM 136 O LYS A 9 12.723 0.238 0.100 1.00 0.00 O ATOM 137 CB LYS A 9 10.939 0.145 -2.223 1.00 0.00 C ATOM 138 CG LYS A 9 9.762 0.224 -3.183 1.00 0.00 C ATOM 139 CD LYS A 9 8.674 -0.775 -2.819 1.00 0.00 C ATOM 140 CE LYS A 9 8.176 -1.529 -4.043 1.00 0.00 C ATOM 141 NZ LYS A 9 9.181 -2.504 -4.545 1.00 0.00 N ATOM 0 H LYS A 9 12.423 2.242 -2.240 1.00 0.00 H new ATOM 0 HA LYS A 9 9.905 1.514 -0.922 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.866 0.209 -2.792 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.933 -0.829 -1.733 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.349 1.233 -3.171 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.107 0.033 -4.199 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.060 -1.484 -2.086 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.841 -0.252 -2.349 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.254 -2.055 -3.795 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.935 -0.818 -4.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.724 -3.166 -5.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.942 -1.995 -5.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.581 -3.034 -3.744 1.00 0.00 H new ATOM 155 N GLU A 10 10.862 0.808 1.231 1.00 0.00 N ATOM 156 CA GLU A 10 11.360 0.337 2.518 1.00 0.00 C ATOM 157 C GLU A 10 10.432 -0.737 3.083 1.00 0.00 C ATOM 158 O GLU A 10 9.277 -0.458 3.405 1.00 0.00 O ATOM 159 CB GLU A 10 11.477 1.504 3.503 1.00 0.00 C ATOM 160 CG GLU A 10 12.911 1.819 3.901 1.00 0.00 C ATOM 161 CD GLU A 10 13.173 1.583 5.376 1.00 0.00 C ATOM 162 OE1 GLU A 10 12.838 2.471 6.188 1.00 0.00 O ATOM 163 OE2 GLU A 10 13.713 0.510 5.719 1.00 0.00 O ATOM 0 H GLU A 10 9.923 1.205 1.264 1.00 0.00 H new ATOM 0 HA GLU A 10 12.349 -0.096 2.370 1.00 0.00 H new ATOM 0 HB2 GLU A 10 11.028 2.392 3.057 1.00 0.00 H new ATOM 0 HB3 GLU A 10 10.902 1.272 4.399 1.00 0.00 H new ATOM 0 HG2 GLU A 10 13.591 1.203 3.312 1.00 0.00 H new ATOM 0 HG3 GLU A 10 13.131 2.859 3.659 1.00 0.00 H new ATOM 170 N PRO A 11 10.912 -1.989 3.195 1.00 0.00 N ATOM 171 CA PRO A 11 10.106 -3.096 3.701 1.00 0.00 C ATOM 172 C PRO A 11 10.141 -3.220 5.222 1.00 0.00 C ATOM 173 O PRO A 11 11.152 -3.610 5.802 1.00 0.00 O ATOM 174 CB PRO A 11 10.765 -4.305 3.050 1.00 0.00 C ATOM 175 CG PRO A 11 12.210 -3.939 2.966 1.00 0.00 C ATOM 176 CD PRO A 11 12.267 -2.436 2.816 1.00 0.00 C ATOM 0 HA PRO A 11 9.048 -2.973 3.468 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.617 -5.206 3.645 1.00 0.00 H new ATOM 0 HB3 PRO A 11 10.347 -4.502 2.063 1.00 0.00 H new ATOM 0 HG2 PRO A 11 12.743 -4.260 3.861 1.00 0.00 H new ATOM 0 HG3 PRO A 11 12.686 -4.431 2.118 1.00 0.00 H new ATOM 0 HD2 PRO A 11 13.027 -1.999 3.463 1.00 0.00 H new ATOM 0 HD3 PRO A 11 12.512 -2.146 1.794 1.00 0.00 H new ATOM 184 N ALA A 12 9.019 -2.894 5.856 1.00 0.00 N ATOM 185 CA ALA A 12 8.901 -2.975 7.307 1.00 0.00 C ATOM 186 C ALA A 12 7.440 -2.872 7.732 1.00 0.00 C ATOM 187 O ALA A 12 6.791 -3.877 8.026 1.00 0.00 O ATOM 188 CB ALA A 12 9.729 -1.884 7.969 1.00 0.00 C ATOM 0 H ALA A 12 8.175 -2.570 5.384 1.00 0.00 H new ATOM 0 HA ALA A 12 9.284 -3.943 7.631 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.630 -1.959 9.052 1.00 0.00 H new ATOM 0 HB2 ALA A 12 10.776 -2.003 7.691 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.375 -0.907 7.639 1.00 0.00 H new ATOM 194 N THR A 13 6.925 -1.646 7.746 1.00 0.00 N ATOM 195 CA THR A 13 5.535 -1.384 8.113 1.00 0.00 C ATOM 196 C THR A 13 5.079 -2.208 9.315 1.00 0.00 C ATOM 197 O THR A 13 3.895 -2.518 9.446 1.00 0.00 O ATOM 198 CB THR A 13 4.617 -1.659 6.922 1.00 0.00 C ATOM 199 OG1 THR A 13 4.546 -3.048 6.654 1.00 0.00 O ATOM 200 CG2 THR A 13 5.062 -0.968 5.651 1.00 0.00 C ATOM 0 H THR A 13 7.456 -0.809 7.505 1.00 0.00 H new ATOM 0 HA THR A 13 5.474 -0.333 8.397 1.00 0.00 H new ATOM 0 HB THR A 13 3.644 -1.262 7.210 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.252 -3.513 7.149 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.367 -1.205 4.845 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.079 0.110 5.810 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.061 -1.311 5.381 1.00 0.00 H new ATOM 208 N LEU A 14 6.010 -2.554 10.199 1.00 0.00 N ATOM 209 CA LEU A 14 5.663 -3.330 11.384 1.00 0.00 C ATOM 210 C LEU A 14 5.495 -2.414 12.595 1.00 0.00 C ATOM 211 O LEU A 14 6.428 -2.219 13.373 1.00 0.00 O ATOM 212 CB LEU A 14 6.742 -4.379 11.668 1.00 0.00 C ATOM 213 CG LEU A 14 6.356 -5.439 12.704 1.00 0.00 C ATOM 214 CD1 LEU A 14 6.092 -6.776 12.028 1.00 0.00 C ATOM 215 CD2 LEU A 14 7.443 -5.579 13.758 1.00 0.00 C ATOM 0 H LEU A 14 6.998 -2.313 10.119 1.00 0.00 H new ATOM 0 HA LEU A 14 4.717 -3.838 11.196 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.995 -4.880 10.734 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.643 -3.869 12.010 1.00 0.00 H new ATOM 0 HG LEU A 14 5.439 -5.117 13.198 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.819 -7.516 12.780 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.276 -6.667 11.313 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.991 -7.103 11.506 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.150 -6.337 14.485 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.377 -5.876 13.281 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.583 -4.625 14.265 1.00 0.00 H new ATOM 227 N ILE A 15 4.294 -1.864 12.749 1.00 0.00 N ATOM 228 CA ILE A 15 3.993 -0.977 13.867 1.00 0.00 C ATOM 229 C ILE A 15 2.759 -1.457 14.625 1.00 0.00 C ATOM 230 O ILE A 15 2.856 -1.930 15.759 1.00 0.00 O ATOM 231 CB ILE A 15 3.768 0.475 13.398 1.00 0.00 C ATOM 232 CG1 ILE A 15 4.798 0.857 12.331 1.00 0.00 C ATOM 233 CG2 ILE A 15 3.846 1.430 14.580 1.00 0.00 C ATOM 234 CD1 ILE A 15 6.222 0.867 12.841 1.00 0.00 C ATOM 0 H ILE A 15 3.512 -2.018 12.112 1.00 0.00 H new ATOM 0 HA ILE A 15 4.858 -0.999 14.530 1.00 0.00 H new ATOM 0 HB ILE A 15 2.773 0.549 12.959 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.724 0.157 11.499 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.554 1.845 11.939 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.685 2.451 14.234 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.079 1.169 15.310 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.829 1.355 15.044 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.896 1.146 12.031 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.312 1.588 13.653 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.485 -0.126 13.206 1.00 0.00 H new ATOM 246 N LYS A 16 1.602 -1.336 13.984 1.00 0.00 N ATOM 247 CA LYS A 16 0.338 -1.755 14.576 1.00 0.00 C ATOM 248 C LYS A 16 -0.558 -2.389 13.517 1.00 0.00 C ATOM 249 O LYS A 16 -0.230 -2.376 12.330 1.00 0.00 O ATOM 250 CB LYS A 16 -0.371 -0.564 15.225 1.00 0.00 C ATOM 251 CG LYS A 16 -1.004 -0.891 16.568 1.00 0.00 C ATOM 252 CD LYS A 16 -2.147 0.059 16.891 1.00 0.00 C ATOM 253 CE LYS A 16 -1.660 1.282 17.651 1.00 0.00 C ATOM 254 NZ LYS A 16 -2.466 1.531 18.878 1.00 0.00 N ATOM 0 H LYS A 16 1.514 -0.947 13.045 1.00 0.00 H new ATOM 0 HA LYS A 16 0.547 -2.496 15.347 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.346 0.246 15.358 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.143 -0.199 14.548 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.374 -1.916 16.557 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.248 -0.833 17.351 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.632 0.373 15.967 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.898 -0.463 17.483 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.614 1.146 17.925 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.708 2.156 17.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.102 2.373 19.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.460 1.686 18.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.400 0.708 19.510 1.00 0.00 H new ATOM 268 N ALA A 17 -1.686 -2.946 13.946 1.00 0.00 N ATOM 269 CA ALA A 17 -2.614 -3.584 13.019 1.00 0.00 C ATOM 270 C ALA A 17 -4.001 -2.957 13.095 1.00 0.00 C ATOM 271 O ALA A 17 -4.493 -2.634 14.176 1.00 0.00 O ATOM 272 CB ALA A 17 -2.691 -5.077 13.298 1.00 0.00 C ATOM 0 H ALA A 17 -1.978 -2.969 14.923 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.236 -3.429 12.008 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.387 -5.542 12.600 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.703 -5.521 13.176 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -3.038 -5.239 14.318 1.00 0.00 H new ATOM 278 N ILE A 18 -4.630 -2.793 11.934 1.00 0.00 N ATOM 279 CA ILE A 18 -5.963 -2.210 11.858 1.00 0.00 C ATOM 280 C ILE A 18 -6.507 -2.285 10.431 1.00 0.00 C ATOM 281 O ILE A 18 -5.755 -2.520 9.485 1.00 0.00 O ATOM 282 CB ILE A 18 -5.959 -0.741 12.340 1.00 0.00 C ATOM 283 CG1 ILE A 18 -7.390 -0.226 12.504 1.00 0.00 C ATOM 284 CG2 ILE A 18 -5.177 0.143 11.376 1.00 0.00 C ATOM 285 CD1 ILE A 18 -7.526 0.853 13.554 1.00 0.00 C ATOM 0 H ILE A 18 -4.235 -3.057 11.031 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.612 -2.789 12.516 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.466 -0.702 13.311 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -7.740 0.163 11.548 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -8.040 -1.061 12.766 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -5.188 1.172 11.736 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -4.147 -0.209 11.314 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.636 0.099 10.388 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -8.567 1.171 13.616 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -7.207 0.462 14.520 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.902 1.705 13.283 1.00 0.00 H new ATOM 297 N ASP A 19 -7.814 -2.092 10.281 1.00 0.00 N ATOM 298 CA ASP A 19 -8.449 -2.147 8.968 1.00 0.00 C ATOM 299 C ASP A 19 -7.992 -0.983 8.094 1.00 0.00 C ATOM 300 O ASP A 19 -7.306 -0.076 8.562 1.00 0.00 O ATOM 301 CB ASP A 19 -9.972 -2.123 9.117 1.00 0.00 C ATOM 302 CG ASP A 19 -10.650 -3.200 8.296 1.00 0.00 C ATOM 303 OD1 ASP A 19 -10.165 -3.493 7.183 1.00 0.00 O ATOM 304 OD2 ASP A 19 -11.667 -3.755 8.766 1.00 0.00 O ATOM 0 H ASP A 19 -8.453 -1.896 11.051 1.00 0.00 H new ATOM 0 HA ASP A 19 -8.152 -3.078 8.485 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.234 -2.252 10.167 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -10.349 -1.147 8.812 1.00 0.00 H new ATOM 309 N GLY A 20 -8.376 -1.021 6.822 1.00 0.00 N ATOM 310 CA GLY A 20 -7.997 0.034 5.900 1.00 0.00 C ATOM 311 C GLY A 20 -8.525 1.392 6.319 1.00 0.00 C ATOM 312 O GLY A 20 -9.565 1.839 5.835 1.00 0.00 O ATOM 0 H GLY A 20 -8.943 -1.764 6.413 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.910 0.077 5.830 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.372 -0.206 4.905 1.00 0.00 H new ATOM 316 N ASP A 21 -7.807 2.050 7.222 1.00 0.00 N ATOM 317 CA ASP A 21 -8.202 3.365 7.711 1.00 0.00 C ATOM 318 C ASP A 21 -6.973 4.204 8.035 1.00 0.00 C ATOM 319 O ASP A 21 -6.856 5.352 7.606 1.00 0.00 O ATOM 320 CB ASP A 21 -9.085 3.227 8.953 1.00 0.00 C ATOM 321 CG ASP A 21 -10.170 4.283 9.012 1.00 0.00 C ATOM 322 OD1 ASP A 21 -11.206 4.109 8.336 1.00 0.00 O ATOM 323 OD2 ASP A 21 -9.988 5.284 9.735 1.00 0.00 O ATOM 0 H ASP A 21 -6.944 1.692 7.632 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.771 3.867 6.928 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.544 2.238 8.961 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.464 3.298 9.846 1.00 0.00 H new ATOM 328 N THR A 22 -6.056 3.617 8.796 1.00 0.00 N ATOM 329 CA THR A 22 -4.828 4.298 9.184 1.00 0.00 C ATOM 330 C THR A 22 -3.879 3.331 9.885 1.00 0.00 C ATOM 331 O THR A 22 -4.105 2.945 11.031 1.00 0.00 O ATOM 332 CB THR A 22 -5.141 5.479 10.102 1.00 0.00 C ATOM 333 OG1 THR A 22 -3.965 5.947 10.738 1.00 0.00 O ATOM 334 CG2 THR A 22 -6.146 5.147 11.184 1.00 0.00 C ATOM 0 H THR A 22 -6.141 2.667 9.157 1.00 0.00 H new ATOM 0 HA THR A 22 -4.344 4.672 8.282 1.00 0.00 H new ATOM 0 HB THR A 22 -5.569 6.242 9.452 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.371 6.350 10.071 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.323 6.029 11.800 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.083 4.831 10.726 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.757 4.342 11.807 1.00 0.00 H new ATOM 342 N VAL A 23 -2.820 2.940 9.186 1.00 0.00 N ATOM 343 CA VAL A 23 -1.840 2.015 9.740 1.00 0.00 C ATOM 344 C VAL A 23 -0.443 2.625 9.732 1.00 0.00 C ATOM 345 O VAL A 23 0.033 3.095 8.702 1.00 0.00 O ATOM 346 CB VAL A 23 -1.815 0.691 8.953 1.00 0.00 C ATOM 347 CG1 VAL A 23 -3.159 -0.013 9.049 1.00 0.00 C ATOM 348 CG2 VAL A 23 -1.431 0.937 7.500 1.00 0.00 C ATOM 0 H VAL A 23 -2.618 3.249 8.235 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.138 1.814 10.769 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.060 0.041 9.396 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.122 -0.946 8.487 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.384 -0.227 10.094 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.936 0.629 8.635 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.419 -0.011 6.961 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.158 1.607 7.040 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.441 1.391 7.457 1.00 0.00 H new ATOM 358 N LYS A 24 0.208 2.607 10.891 1.00 0.00 N ATOM 359 CA LYS A 24 1.550 3.157 11.026 1.00 0.00 C ATOM 360 C LYS A 24 2.593 2.181 10.493 1.00 0.00 C ATOM 361 O LYS A 24 2.553 0.987 10.790 1.00 0.00 O ATOM 362 CB LYS A 24 1.841 3.477 12.492 1.00 0.00 C ATOM 363 CG LYS A 24 2.962 4.486 12.688 1.00 0.00 C ATOM 364 CD LYS A 24 2.433 5.818 13.194 1.00 0.00 C ATOM 365 CE LYS A 24 1.854 5.690 14.595 1.00 0.00 C ATOM 366 NZ LYS A 24 2.734 4.892 15.491 1.00 0.00 N ATOM 0 H LYS A 24 -0.175 2.216 11.752 1.00 0.00 H new ATOM 0 HA LYS A 24 1.603 4.074 10.440 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.933 3.861 12.958 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.100 2.554 13.011 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.689 4.090 13.397 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.486 4.637 11.744 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.238 6.553 13.197 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.666 6.188 12.514 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.709 6.683 15.020 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.872 5.221 14.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.622 5.222 16.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.471 3.888 15.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.725 5.008 15.198 1.00 0.00 H new ATOM 380 N LEU A 25 3.526 2.702 9.702 1.00 0.00 N ATOM 381 CA LEU A 25 4.584 1.885 9.123 1.00 0.00 C ATOM 382 C LEU A 25 5.955 2.474 9.444 1.00 0.00 C ATOM 383 O LEU A 25 6.104 3.690 9.566 1.00 0.00 O ATOM 384 CB LEU A 25 4.398 1.772 7.606 1.00 0.00 C ATOM 385 CG LEU A 25 4.646 3.061 6.819 1.00 0.00 C ATOM 386 CD1 LEU A 25 5.543 2.789 5.620 1.00 0.00 C ATOM 387 CD2 LEU A 25 3.327 3.675 6.371 1.00 0.00 C ATOM 0 H LEU A 25 3.570 3.689 9.448 1.00 0.00 H new ATOM 0 HA LEU A 25 4.526 0.888 9.559 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.071 1.001 7.230 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.382 1.433 7.405 1.00 0.00 H new ATOM 0 HG LEU A 25 5.151 3.772 7.473 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.709 3.716 5.072 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.499 2.394 5.963 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.064 2.061 4.965 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.523 4.591 5.813 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.795 2.969 5.734 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.718 3.906 7.245 1.00 0.00 H new ATOM 399 N MET A 26 6.950 1.605 9.586 1.00 0.00 N ATOM 400 CA MET A 26 8.306 2.044 9.900 1.00 0.00 C ATOM 401 C MET A 26 8.960 2.709 8.693 1.00 0.00 C ATOM 402 O MET A 26 9.423 2.035 7.773 1.00 0.00 O ATOM 403 CB MET A 26 9.153 0.857 10.367 1.00 0.00 C ATOM 404 CG MET A 26 9.417 0.852 11.866 1.00 0.00 C ATOM 405 SD MET A 26 11.173 0.937 12.266 1.00 0.00 S ATOM 406 CE MET A 26 11.645 -0.780 12.090 1.00 0.00 C ATOM 0 H MET A 26 6.844 0.595 9.489 1.00 0.00 H new ATOM 0 HA MET A 26 8.245 2.778 10.704 1.00 0.00 H new ATOM 0 HB2 MET A 26 8.649 -0.069 10.092 1.00 0.00 H new ATOM 0 HB3 MET A 26 10.106 0.871 9.838 1.00 0.00 H new ATOM 0 HG2 MET A 26 8.903 1.697 12.324 1.00 0.00 H new ATOM 0 HG3 MET A 26 8.993 -0.053 12.302 1.00 0.00 H new ATOM 0 HE1 MET A 26 12.708 -0.889 12.306 1.00 0.00 H new ATOM 0 HE2 MET A 26 11.069 -1.389 12.787 1.00 0.00 H new ATOM 0 HE3 MET A 26 11.446 -1.109 11.070 1.00 0.00 H new ATOM 416 N TYR A 27 8.998 4.039 8.707 1.00 0.00 N ATOM 417 CA TYR A 27 9.597 4.801 7.618 1.00 0.00 C ATOM 418 C TYR A 27 10.757 5.650 8.127 1.00 0.00 C ATOM 419 O TYR A 27 10.582 6.497 9.001 1.00 0.00 O ATOM 420 CB TYR A 27 8.545 5.695 6.958 1.00 0.00 C ATOM 421 CG TYR A 27 8.947 6.193 5.589 1.00 0.00 C ATOM 422 CD1 TYR A 27 10.049 7.022 5.427 1.00 0.00 C ATOM 423 CD2 TYR A 27 8.226 5.834 4.458 1.00 0.00 C ATOM 424 CE1 TYR A 27 10.420 7.479 4.178 1.00 0.00 C ATOM 425 CE2 TYR A 27 8.593 6.286 3.204 1.00 0.00 C ATOM 426 CZ TYR A 27 9.690 7.109 3.070 1.00 0.00 C ATOM 427 OH TYR A 27 10.056 7.562 1.824 1.00 0.00 O ATOM 0 H TYR A 27 8.620 4.611 9.462 1.00 0.00 H new ATOM 0 HA TYR A 27 9.981 4.098 6.879 1.00 0.00 H new ATOM 0 HB2 TYR A 27 7.610 5.141 6.874 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.351 6.551 7.604 1.00 0.00 H new ATOM 0 HD1 TYR A 27 10.626 7.314 6.292 1.00 0.00 H new ATOM 0 HD2 TYR A 27 7.364 5.191 4.560 1.00 0.00 H new ATOM 0 HE1 TYR A 27 11.279 8.124 4.070 1.00 0.00 H new ATOM 0 HE2 TYR A 27 8.023 5.996 2.334 1.00 0.00 H new ATOM 0 HH TYR A 27 9.875 8.523 1.759 1.00 0.00 H new ATOM 437 N LYS A 28 11.944 5.411 7.575 1.00 0.00 N ATOM 438 CA LYS A 28 13.144 6.146 7.969 1.00 0.00 C ATOM 439 C LYS A 28 13.302 6.179 9.488 1.00 0.00 C ATOM 440 O LYS A 28 13.889 7.106 10.044 1.00 0.00 O ATOM 441 CB LYS A 28 13.116 7.573 7.401 1.00 0.00 C ATOM 442 CG LYS A 28 12.179 8.527 8.133 1.00 0.00 C ATOM 443 CD LYS A 28 12.484 9.975 7.787 1.00 0.00 C ATOM 444 CE LYS A 28 11.273 10.869 8.005 1.00 0.00 C ATOM 445 NZ LYS A 28 11.465 12.220 7.408 1.00 0.00 N ATOM 0 H LYS A 28 12.101 4.711 6.850 1.00 0.00 H new ATOM 0 HA LYS A 28 14.005 5.622 7.554 1.00 0.00 H new ATOM 0 HB2 LYS A 28 14.126 7.982 7.431 1.00 0.00 H new ATOM 0 HB3 LYS A 28 12.821 7.527 6.353 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.146 8.298 7.871 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.275 8.380 9.209 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.313 10.329 8.399 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.804 10.042 6.747 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.392 10.400 7.566 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.083 10.968 9.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.618 12.798 7.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.290 12.678 7.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.621 12.128 6.384 1.00 0.00 H new ATOM 459 N GLY A 29 12.775 5.155 10.154 1.00 0.00 N ATOM 460 CA GLY A 29 12.869 5.083 11.600 1.00 0.00 C ATOM 461 C GLY A 29 11.893 6.010 12.300 1.00 0.00 C ATOM 462 O GLY A 29 11.978 6.206 13.512 1.00 0.00 O ATOM 0 H GLY A 29 12.285 4.374 9.717 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.683 4.058 11.921 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.885 5.334 11.906 1.00 0.00 H new ATOM 466 N GLN A 30 10.962 6.584 11.540 1.00 0.00 N ATOM 467 CA GLN A 30 9.973 7.493 12.106 1.00 0.00 C ATOM 468 C GLN A 30 8.553 6.991 11.836 1.00 0.00 C ATOM 469 O GLN A 30 8.274 6.450 10.766 1.00 0.00 O ATOM 470 CB GLN A 30 10.151 8.897 11.524 1.00 0.00 C ATOM 471 CG GLN A 30 10.927 9.836 12.432 1.00 0.00 C ATOM 472 CD GLN A 30 10.022 10.706 13.283 1.00 0.00 C ATOM 473 OE1 GLN A 30 9.828 10.312 14.537 1.00 0.00 O flip ATOM 474 NE2 GLN A 30 9.503 11.721 12.819 1.00 0.00 N flip ATOM 0 H GLN A 30 10.874 6.435 10.535 1.00 0.00 H new ATOM 0 HA GLN A 30 10.125 7.532 13.185 1.00 0.00 H new ATOM 0 HB2 GLN A 30 10.666 8.822 10.566 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.169 9.326 11.325 1.00 0.00 H new ATOM 0 HG2 GLN A 30 11.578 9.251 13.082 1.00 0.00 H new ATOM 0 HG3 GLN A 30 11.571 10.473 11.825 1.00 0.00 H new ATOM 0 HE21 GLN A 30 9.679 11.987 11.850 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.897 12.297 13.403 1.00 0.00 H new ATOM 483 N PRO A 31 7.635 7.162 12.805 1.00 0.00 N ATOM 484 CA PRO A 31 6.243 6.718 12.660 1.00 0.00 C ATOM 485 C PRO A 31 5.543 7.386 11.480 1.00 0.00 C ATOM 486 O PRO A 31 5.540 8.611 11.358 1.00 0.00 O ATOM 487 CB PRO A 31 5.583 7.143 13.977 1.00 0.00 C ATOM 488 CG PRO A 31 6.709 7.329 14.935 1.00 0.00 C ATOM 489 CD PRO A 31 7.878 7.791 14.115 1.00 0.00 C ATOM 0 HA PRO A 31 6.181 5.647 12.466 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.015 8.065 13.853 1.00 0.00 H new ATOM 0 HB3 PRO A 31 4.886 6.384 14.331 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.454 8.063 15.699 1.00 0.00 H new ATOM 0 HG3 PRO A 31 6.939 6.398 15.452 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.914 8.878 14.040 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.826 7.470 14.547 1.00 0.00 H new ATOM 497 N MET A 32 4.949 6.571 10.614 1.00 0.00 N ATOM 498 CA MET A 32 4.245 7.080 9.444 1.00 0.00 C ATOM 499 C MET A 32 3.029 6.215 9.125 1.00 0.00 C ATOM 500 O MET A 32 3.167 5.065 8.709 1.00 0.00 O ATOM 501 CB MET A 32 5.186 7.122 8.240 1.00 0.00 C ATOM 502 CG MET A 32 6.313 8.132 8.383 1.00 0.00 C ATOM 503 SD MET A 32 5.711 9.817 8.612 1.00 0.00 S ATOM 504 CE MET A 32 7.237 10.672 8.996 1.00 0.00 C ATOM 0 H MET A 32 4.942 5.555 10.701 1.00 0.00 H new ATOM 0 HA MET A 32 3.902 8.091 9.664 1.00 0.00 H new ATOM 0 HB2 MET A 32 5.614 6.131 8.090 1.00 0.00 H new ATOM 0 HB3 MET A 32 4.609 7.359 7.346 1.00 0.00 H new ATOM 0 HG2 MET A 32 6.938 7.855 9.232 1.00 0.00 H new ATOM 0 HG3 MET A 32 6.945 8.094 7.496 1.00 0.00 H new ATOM 0 HE1 MET A 32 7.071 11.749 8.955 1.00 0.00 H new ATOM 0 HE2 MET A 32 7.568 10.394 9.997 1.00 0.00 H new ATOM 0 HE3 MET A 32 8.002 10.395 8.271 1.00 0.00 H new ATOM 514 N THR A 33 1.837 6.769 9.330 1.00 0.00 N ATOM 515 CA THR A 33 0.604 6.038 9.071 1.00 0.00 C ATOM 516 C THR A 33 -0.031 6.448 7.745 1.00 0.00 C ATOM 517 O THR A 33 -0.900 7.321 7.703 1.00 0.00 O ATOM 518 CB THR A 33 -0.390 6.253 10.212 1.00 0.00 C ATOM 519 OG1 THR A 33 -1.674 5.780 9.854 1.00 0.00 O ATOM 520 CG2 THR A 33 -0.531 7.705 10.617 1.00 0.00 C ATOM 0 H THR A 33 1.701 7.720 9.674 1.00 0.00 H new ATOM 0 HA THR A 33 0.859 4.980 9.007 1.00 0.00 H new ATOM 0 HB THR A 33 0.014 5.695 11.056 1.00 0.00 H new ATOM 0 HG1 THR A 33 -2.164 5.520 10.662 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.251 7.787 11.431 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.435 8.086 10.947 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.879 8.288 9.764 1.00 0.00 H new ATOM 528 N PHE A 34 0.395 5.797 6.668 1.00 0.00 N ATOM 529 CA PHE A 34 -0.139 6.068 5.338 1.00 0.00 C ATOM 530 C PHE A 34 -0.910 4.841 4.839 1.00 0.00 C ATOM 531 O PHE A 34 -0.319 3.816 4.503 1.00 0.00 O ATOM 532 CB PHE A 34 0.989 6.425 4.363 1.00 0.00 C ATOM 533 CG PHE A 34 1.789 7.646 4.734 1.00 0.00 C ATOM 534 CD1 PHE A 34 2.311 7.806 6.011 1.00 0.00 C ATOM 535 CD2 PHE A 34 2.030 8.633 3.791 1.00 0.00 C ATOM 536 CE1 PHE A 34 3.052 8.928 6.336 1.00 0.00 C ATOM 537 CE2 PHE A 34 2.773 9.754 4.110 1.00 0.00 C ATOM 538 CZ PHE A 34 3.284 9.902 5.384 1.00 0.00 C ATOM 0 H PHE A 34 1.113 5.073 6.691 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.816 6.920 5.394 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.666 5.574 4.288 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.558 6.578 3.373 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.137 7.046 6.758 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.632 8.525 2.793 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.449 9.043 7.334 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.954 10.513 3.363 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.864 10.778 5.636 1.00 0.00 H new ATOM 548 N ARG A 35 -2.231 4.954 4.806 1.00 0.00 N ATOM 549 CA ARG A 35 -3.094 3.867 4.356 1.00 0.00 C ATOM 550 C ARG A 35 -4.302 4.402 3.589 1.00 0.00 C ATOM 551 O ARG A 35 -5.317 4.739 4.199 1.00 0.00 O ATOM 552 CB ARG A 35 -3.570 3.043 5.554 1.00 0.00 C ATOM 553 CG ARG A 35 -4.441 1.856 5.172 1.00 0.00 C ATOM 554 CD ARG A 35 -3.694 0.881 4.276 1.00 0.00 C ATOM 555 NE ARG A 35 -4.532 -0.251 3.881 1.00 0.00 N ATOM 556 CZ ARG A 35 -4.736 -1.325 4.640 1.00 0.00 C ATOM 557 NH1 ARG A 35 -4.166 -1.421 5.834 1.00 0.00 N ATOM 558 NH2 ARG A 35 -5.512 -2.307 4.202 1.00 0.00 N ATOM 0 H ARG A 35 -2.733 5.796 5.088 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.513 3.234 3.685 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -2.701 2.682 6.104 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.129 3.690 6.230 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.773 1.342 6.074 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.336 2.210 4.660 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.345 1.402 3.385 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.810 0.513 4.797 1.00 0.00 H new ATOM 0 HE ARG A 35 -4.987 -0.215 2.969 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -3.567 -0.669 6.175 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.326 -2.247 6.411 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.952 -2.239 3.284 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.669 -3.131 4.783 1.00 0.00 H new ATOM 572 N LEU A 36 -4.220 4.456 2.269 1.00 0.00 N ATOM 573 CA LEU A 36 -5.347 4.926 1.476 1.00 0.00 C ATOM 574 C LEU A 36 -5.440 4.184 0.148 1.00 0.00 C ATOM 575 O LEU A 36 -4.890 4.631 -0.856 1.00 0.00 O ATOM 576 CB LEU A 36 -5.257 6.433 1.255 1.00 0.00 C ATOM 577 CG LEU A 36 -6.336 7.248 1.974 1.00 0.00 C ATOM 578 CD1 LEU A 36 -5.727 8.453 2.677 1.00 0.00 C ATOM 579 CD2 LEU A 36 -7.420 7.686 0.996 1.00 0.00 C ATOM 0 H LEU A 36 -3.398 4.185 1.729 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.260 4.716 2.033 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.278 6.778 1.587 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.320 6.635 0.186 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.794 6.611 2.730 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.513 9.016 3.180 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.996 8.115 3.411 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.236 9.092 1.943 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.177 8.264 1.527 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.977 8.301 0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.883 6.807 0.548 1.00 0.00 H new ATOM 591 N LEU A 37 -6.144 3.060 0.136 1.00 0.00 N ATOM 592 CA LEU A 37 -6.298 2.284 -1.089 1.00 0.00 C ATOM 593 C LEU A 37 -7.730 2.365 -1.603 1.00 0.00 C ATOM 594 O LEU A 37 -8.683 2.095 -0.871 1.00 0.00 O ATOM 595 CB LEU A 37 -5.890 0.828 -0.854 1.00 0.00 C ATOM 596 CG LEU A 37 -6.839 0.020 0.033 1.00 0.00 C ATOM 597 CD1 LEU A 37 -7.847 -0.739 -0.816 1.00 0.00 C ATOM 598 CD2 LEU A 37 -6.056 -0.942 0.912 1.00 0.00 C ATOM 0 H LEU A 37 -6.614 2.667 0.952 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.641 2.708 -1.849 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.809 0.330 -1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.897 0.814 -0.404 1.00 0.00 H new ATOM 0 HG LEU A 37 -7.382 0.713 0.676 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.514 -1.308 -0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -8.431 -0.033 -1.406 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -7.320 -1.421 -1.483 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.747 -1.509 1.536 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.488 -1.628 0.284 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.371 -0.380 1.547 1.00 0.00 H new ATOM 610 N LEU A 38 -7.875 2.755 -2.867 1.00 0.00 N ATOM 611 CA LEU A 38 -9.188 2.893 -3.494 1.00 0.00 C ATOM 612 C LEU A 38 -10.095 1.710 -3.167 1.00 0.00 C ATOM 613 O LEU A 38 -9.758 0.558 -3.440 1.00 0.00 O ATOM 614 CB LEU A 38 -9.037 3.030 -5.011 1.00 0.00 C ATOM 615 CG LEU A 38 -8.993 4.467 -5.530 1.00 0.00 C ATOM 616 CD1 LEU A 38 -10.322 5.166 -5.284 1.00 0.00 C ATOM 617 CD2 LEU A 38 -7.856 5.235 -4.873 1.00 0.00 C ATOM 0 H LEU A 38 -7.093 2.983 -3.481 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.653 3.793 -3.092 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.123 2.521 -5.317 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.867 2.512 -5.492 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.815 4.439 -6.605 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -10.271 6.188 -5.660 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -11.117 4.628 -5.801 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -10.531 5.183 -4.214 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.839 6.256 -5.254 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.005 5.253 -3.793 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.908 4.747 -5.100 1.00 0.00 H new ATOM 629 N VAL A 39 -11.250 2.009 -2.583 1.00 0.00 N ATOM 630 CA VAL A 39 -12.216 0.981 -2.216 1.00 0.00 C ATOM 631 C VAL A 39 -13.641 1.463 -2.462 1.00 0.00 C ATOM 632 O VAL A 39 -14.139 2.345 -1.761 1.00 0.00 O ATOM 633 CB VAL A 39 -12.072 0.578 -0.736 1.00 0.00 C ATOM 634 CG1 VAL A 39 -10.813 -0.250 -0.527 1.00 0.00 C ATOM 635 CG2 VAL A 39 -12.060 1.813 0.152 1.00 0.00 C ATOM 0 H VAL A 39 -11.541 2.959 -2.353 1.00 0.00 H new ATOM 0 HA VAL A 39 -12.012 0.112 -2.842 1.00 0.00 H new ATOM 0 HB VAL A 39 -12.930 -0.034 -0.459 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -10.729 -0.525 0.524 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -10.866 -1.153 -1.135 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.941 0.334 -0.820 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -11.958 1.511 1.194 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.221 2.452 -0.125 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -12.992 2.363 0.024 1.00 0.00 H new ATOM 645 N ASP A 40 -14.293 0.885 -3.466 1.00 0.00 N ATOM 646 CA ASP A 40 -15.660 1.261 -3.806 1.00 0.00 C ATOM 647 C ASP A 40 -16.576 0.043 -3.817 1.00 0.00 C ATOM 648 O ASP A 40 -16.663 -0.673 -4.815 1.00 0.00 O ATOM 649 CB ASP A 40 -15.698 1.956 -5.169 1.00 0.00 C ATOM 650 CG ASP A 40 -14.821 1.266 -6.199 1.00 0.00 C ATOM 651 OD1 ASP A 40 -14.644 0.034 -6.096 1.00 0.00 O ATOM 652 OD2 ASP A 40 -14.316 1.957 -7.108 1.00 0.00 O ATOM 0 H ASP A 40 -13.897 0.155 -4.058 1.00 0.00 H new ATOM 0 HA ASP A 40 -16.018 1.953 -3.043 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -16.726 1.982 -5.531 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -15.374 2.990 -5.055 1.00 0.00 H new ATOM 657 N THR A 41 -17.259 -0.185 -2.700 1.00 0.00 N ATOM 658 CA THR A 41 -18.171 -1.316 -2.578 1.00 0.00 C ATOM 659 C THR A 41 -19.558 -0.852 -2.139 1.00 0.00 C ATOM 660 O THR A 41 -19.687 0.118 -1.390 1.00 0.00 O ATOM 661 CB THR A 41 -17.621 -2.336 -1.580 1.00 0.00 C ATOM 662 OG1 THR A 41 -16.218 -2.193 -1.437 1.00 0.00 O ATOM 663 CG2 THR A 41 -17.898 -3.771 -1.976 1.00 0.00 C ATOM 0 H THR A 41 -17.198 0.399 -1.866 1.00 0.00 H new ATOM 0 HA THR A 41 -18.259 -1.788 -3.557 1.00 0.00 H new ATOM 0 HB THR A 41 -18.137 -2.129 -0.642 1.00 0.00 H new ATOM 0 HG1 THR A 41 -15.886 -2.853 -0.793 1.00 0.00 H new ATOM 0 HG21 THR A 41 -17.481 -4.443 -1.225 1.00 0.00 H new ATOM 0 HG22 THR A 41 -18.974 -3.928 -2.046 1.00 0.00 H new ATOM 0 HG23 THR A 41 -17.438 -3.977 -2.942 1.00 0.00 H new ATOM 671 N PRO A 42 -20.617 -1.541 -2.597 1.00 0.00 N ATOM 672 CA PRO A 42 -21.998 -1.194 -2.245 1.00 0.00 C ATOM 673 C PRO A 42 -22.197 -1.061 -0.738 1.00 0.00 C ATOM 674 O PRO A 42 -21.786 -1.931 0.030 1.00 0.00 O ATOM 675 CB PRO A 42 -22.812 -2.369 -2.791 1.00 0.00 C ATOM 676 CG PRO A 42 -21.986 -2.918 -3.901 1.00 0.00 C ATOM 677 CD PRO A 42 -20.553 -2.712 -3.492 1.00 0.00 C ATOM 0 HA PRO A 42 -22.292 -0.228 -2.656 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -22.989 -3.120 -2.021 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -23.788 -2.042 -3.148 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -22.198 -3.975 -4.059 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -22.202 -2.405 -4.838 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -20.152 -3.587 -2.981 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -19.912 -2.524 -4.354 1.00 0.00 H new ATOM 685 N GLU A 43 -22.827 0.033 -0.324 1.00 0.00 N ATOM 686 CA GLU A 43 -23.078 0.277 1.093 1.00 0.00 C ATOM 687 C GLU A 43 -24.457 0.898 1.302 1.00 0.00 C ATOM 688 O GLU A 43 -25.239 1.032 0.360 1.00 0.00 O ATOM 689 CB GLU A 43 -21.998 1.196 1.670 1.00 0.00 C ATOM 690 CG GLU A 43 -20.870 0.449 2.361 1.00 0.00 C ATOM 691 CD GLU A 43 -21.252 -0.031 3.746 1.00 0.00 C ATOM 692 OE1 GLU A 43 -21.851 0.760 4.505 1.00 0.00 O ATOM 693 OE2 GLU A 43 -20.954 -1.199 4.073 1.00 0.00 O ATOM 0 H GLU A 43 -23.173 0.763 -0.947 1.00 0.00 H new ATOM 0 HA GLU A 43 -23.049 -0.680 1.614 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -21.582 1.803 0.866 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -22.458 1.882 2.382 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -20.579 -0.406 1.751 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -19.999 1.100 2.434 1.00 0.00 H new ATOM 700 N THR A 44 -24.747 1.272 2.543 1.00 0.00 N ATOM 701 CA THR A 44 -26.028 1.878 2.881 1.00 0.00 C ATOM 702 C THR A 44 -26.059 3.348 2.471 1.00 0.00 C ATOM 703 O THR A 44 -25.025 4.014 2.435 1.00 0.00 O ATOM 704 CB THR A 44 -26.296 1.747 4.381 1.00 0.00 C ATOM 705 OG1 THR A 44 -25.360 2.504 5.125 1.00 0.00 O ATOM 706 CG2 THR A 44 -26.232 0.318 4.877 1.00 0.00 C ATOM 0 H THR A 44 -24.110 1.166 3.333 1.00 0.00 H new ATOM 0 HA THR A 44 -26.809 1.351 2.333 1.00 0.00 H new ATOM 0 HB THR A 44 -27.310 2.120 4.528 1.00 0.00 H new ATOM 0 HG1 THR A 44 -25.549 2.409 6.082 1.00 0.00 H new ATOM 0 HG21 THR A 44 -26.431 0.295 5.948 1.00 0.00 H new ATOM 0 HG22 THR A 44 -26.979 -0.282 4.356 1.00 0.00 H new ATOM 0 HG23 THR A 44 -25.240 -0.090 4.684 1.00 0.00 H new ATOM 714 N LYS A 45 -27.254 3.846 2.162 1.00 0.00 N ATOM 715 CA LYS A 45 -27.422 5.237 1.753 1.00 0.00 C ATOM 716 C LYS A 45 -26.729 5.498 0.418 1.00 0.00 C ATOM 717 O LYS A 45 -27.377 5.558 -0.627 1.00 0.00 O ATOM 718 CB LYS A 45 -26.871 6.181 2.825 1.00 0.00 C ATOM 719 CG LYS A 45 -27.945 6.786 3.715 1.00 0.00 C ATOM 720 CD LYS A 45 -28.309 8.193 3.270 1.00 0.00 C ATOM 721 CE LYS A 45 -29.531 8.712 4.011 1.00 0.00 C ATOM 722 NZ LYS A 45 -29.529 10.198 4.116 1.00 0.00 N ATOM 0 H LYS A 45 -28.119 3.307 2.187 1.00 0.00 H new ATOM 0 HA LYS A 45 -28.488 5.427 1.631 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -26.161 5.636 3.447 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -26.318 6.985 2.339 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -28.834 6.155 3.695 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -27.594 6.809 4.747 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -27.465 8.861 3.444 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -28.503 8.198 2.197 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -30.434 8.386 3.495 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -29.561 8.278 5.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -30.379 10.511 4.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -28.681 10.508 4.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -29.527 10.613 3.163 1.00 0.00 H new ATOM 736 N HIS A 46 -25.410 5.655 0.461 1.00 0.00 N ATOM 737 CA HIS A 46 -24.631 5.911 -0.745 1.00 0.00 C ATOM 738 C HIS A 46 -24.527 4.651 -1.606 1.00 0.00 C ATOM 739 O HIS A 46 -23.892 3.674 -1.212 1.00 0.00 O ATOM 740 CB HIS A 46 -23.231 6.403 -0.375 1.00 0.00 C ATOM 741 CG HIS A 46 -23.161 7.878 -0.133 1.00 0.00 C ATOM 742 ND1 HIS A 46 -22.370 8.445 0.845 1.00 0.00 N ATOM 743 CD2 HIS A 46 -23.792 8.907 -0.748 1.00 0.00 C ATOM 744 CE1 HIS A 46 -22.517 9.759 0.820 1.00 0.00 C ATOM 745 NE2 HIS A 46 -23.374 10.064 -0.137 1.00 0.00 N ATOM 0 H HIS A 46 -24.858 5.609 1.318 1.00 0.00 H new ATOM 0 HA HIS A 46 -25.142 6.682 -1.321 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -22.896 5.880 0.520 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -22.539 6.141 -1.175 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -24.493 8.832 -1.566 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -22.021 10.463 1.472 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -23.677 11.007 -0.383 1.00 0.00 H new ATOM 754 N PRO A 47 -25.154 4.655 -2.798 1.00 0.00 N ATOM 755 CA PRO A 47 -25.123 3.504 -3.705 1.00 0.00 C ATOM 756 C PRO A 47 -23.787 3.371 -4.429 1.00 0.00 C ATOM 757 O PRO A 47 -23.364 4.280 -5.145 1.00 0.00 O ATOM 758 CB PRO A 47 -26.240 3.815 -4.700 1.00 0.00 C ATOM 759 CG PRO A 47 -26.305 5.303 -4.738 1.00 0.00 C ATOM 760 CD PRO A 47 -25.938 5.776 -3.355 1.00 0.00 C ATOM 0 HA PRO A 47 -25.252 2.561 -3.174 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -26.020 3.402 -5.685 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -27.189 3.385 -4.379 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -25.616 5.704 -5.482 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -27.304 5.642 -5.013 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -25.354 6.696 -3.388 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -26.824 5.983 -2.754 1.00 0.00 H new ATOM 768 N LYS A 48 -23.127 2.232 -4.240 1.00 0.00 N ATOM 769 CA LYS A 48 -21.840 1.981 -4.877 1.00 0.00 C ATOM 770 C LYS A 48 -21.852 0.647 -5.619 1.00 0.00 C ATOM 771 O LYS A 48 -22.691 -0.213 -5.354 1.00 0.00 O ATOM 772 CB LYS A 48 -20.720 1.987 -3.834 1.00 0.00 C ATOM 773 CG LYS A 48 -19.356 2.338 -4.408 1.00 0.00 C ATOM 774 CD LYS A 48 -18.647 3.391 -3.569 1.00 0.00 C ATOM 775 CE LYS A 48 -18.607 4.735 -4.277 1.00 0.00 C ATOM 776 NZ LYS A 48 -17.726 4.704 -5.478 1.00 0.00 N ATOM 0 H LYS A 48 -23.462 1.470 -3.651 1.00 0.00 H new ATOM 0 HA LYS A 48 -21.659 2.777 -5.599 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -20.969 2.701 -3.049 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -20.666 1.004 -3.365 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -18.741 1.440 -4.460 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -19.473 2.704 -5.428 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -19.157 3.498 -2.612 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -17.630 3.062 -3.354 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -19.616 5.019 -4.574 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -18.252 5.499 -3.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -18.029 5.438 -6.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -16.742 4.882 -5.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -17.791 3.771 -5.932 1.00 0.00 H new ATOM 790 N LYS A 49 -20.918 0.483 -6.549 1.00 0.00 N ATOM 791 CA LYS A 49 -20.825 -0.746 -7.328 1.00 0.00 C ATOM 792 C LYS A 49 -19.546 -0.768 -8.161 1.00 0.00 C ATOM 793 O LYS A 49 -19.565 -1.137 -9.336 1.00 0.00 O ATOM 794 CB LYS A 49 -22.047 -0.890 -8.239 1.00 0.00 C ATOM 795 CG LYS A 49 -22.619 -2.297 -8.268 1.00 0.00 C ATOM 796 CD LYS A 49 -22.056 -3.103 -9.428 1.00 0.00 C ATOM 797 CE LYS A 49 -22.748 -4.450 -9.558 1.00 0.00 C ATOM 798 NZ LYS A 49 -24.157 -4.310 -10.016 1.00 0.00 N ATOM 0 H LYS A 49 -20.215 1.185 -6.782 1.00 0.00 H new ATOM 0 HA LYS A 49 -20.797 -1.586 -6.634 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -22.821 -0.198 -7.907 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -21.771 -0.597 -9.252 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -22.393 -2.802 -7.329 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -23.705 -2.248 -8.351 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -22.175 -2.541 -10.354 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -20.987 -3.255 -9.282 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -22.198 -5.074 -10.262 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -22.728 -4.962 -8.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -24.529 -5.243 -10.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -24.735 -3.917 -9.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -24.194 -3.672 -10.837 1.00 0.00 H new ATOM 812 N GLY A 50 -18.436 -0.375 -7.546 1.00 0.00 N ATOM 813 CA GLY A 50 -17.167 -0.360 -8.247 1.00 0.00 C ATOM 814 C GLY A 50 -16.483 -1.713 -8.235 1.00 0.00 C ATOM 815 O GLY A 50 -16.438 -2.402 -9.255 1.00 0.00 O ATOM 0 H GLY A 50 -18.393 -0.067 -6.575 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -17.329 -0.047 -9.279 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -16.511 0.380 -7.789 1.00 0.00 H new ATOM 819 N VAL A 51 -15.951 -2.094 -7.078 1.00 0.00 N ATOM 820 CA VAL A 51 -15.268 -3.374 -6.938 1.00 0.00 C ATOM 821 C VAL A 51 -16.266 -4.525 -6.868 1.00 0.00 C ATOM 822 O VAL A 51 -17.472 -4.306 -6.746 1.00 0.00 O ATOM 823 CB VAL A 51 -14.381 -3.404 -5.679 1.00 0.00 C ATOM 824 CG1 VAL A 51 -13.144 -2.538 -5.875 1.00 0.00 C ATOM 825 CG2 VAL A 51 -15.169 -2.953 -4.458 1.00 0.00 C ATOM 0 H VAL A 51 -15.980 -1.535 -6.225 1.00 0.00 H new ATOM 0 HA VAL A 51 -14.639 -3.494 -7.820 1.00 0.00 H new ATOM 0 HB VAL A 51 -14.055 -4.431 -5.512 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -12.530 -2.572 -4.975 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -12.568 -2.912 -6.722 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -13.447 -1.509 -6.069 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -14.525 -2.981 -3.579 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -15.528 -1.936 -4.612 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -16.019 -3.619 -4.307 1.00 0.00 H new ATOM 835 N GLU A 52 -15.757 -5.750 -6.945 1.00 0.00 N ATOM 836 CA GLU A 52 -16.605 -6.934 -6.888 1.00 0.00 C ATOM 837 C GLU A 52 -16.747 -7.430 -5.454 1.00 0.00 C ATOM 838 O GLU A 52 -15.882 -7.182 -4.614 1.00 0.00 O ATOM 839 CB GLU A 52 -16.030 -8.044 -7.770 1.00 0.00 C ATOM 840 CG GLU A 52 -14.626 -8.472 -7.371 1.00 0.00 C ATOM 841 CD GLU A 52 -14.475 -9.978 -7.293 1.00 0.00 C ATOM 842 OE1 GLU A 52 -14.767 -10.551 -6.222 1.00 0.00 O ATOM 843 OE2 GLU A 52 -14.064 -10.587 -8.304 1.00 0.00 O ATOM 0 H GLU A 52 -14.762 -5.948 -7.047 1.00 0.00 H new ATOM 0 HA GLU A 52 -17.593 -6.661 -7.260 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -16.691 -8.910 -7.727 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -16.017 -7.704 -8.805 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -13.911 -8.076 -8.092 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -14.378 -8.035 -6.404 1.00 0.00 H new ATOM 850 N LYS A 53 -17.841 -8.132 -5.178 1.00 0.00 N ATOM 851 CA LYS A 53 -18.090 -8.661 -3.843 1.00 0.00 C ATOM 852 C LYS A 53 -16.963 -9.594 -3.410 1.00 0.00 C ATOM 853 O LYS A 53 -17.009 -10.798 -3.664 1.00 0.00 O ATOM 854 CB LYS A 53 -19.430 -9.402 -3.806 1.00 0.00 C ATOM 855 CG LYS A 53 -20.530 -8.634 -3.089 1.00 0.00 C ATOM 856 CD LYS A 53 -21.855 -8.738 -3.827 1.00 0.00 C ATOM 857 CE LYS A 53 -22.091 -7.533 -4.721 1.00 0.00 C ATOM 858 NZ LYS A 53 -21.145 -7.503 -5.873 1.00 0.00 N ATOM 0 H LYS A 53 -18.568 -8.347 -5.860 1.00 0.00 H new ATOM 0 HA LYS A 53 -18.130 -7.823 -3.147 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -19.749 -9.609 -4.827 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -19.290 -10.365 -3.314 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -20.645 -9.021 -2.077 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -20.244 -7.586 -2.999 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -21.867 -9.647 -4.429 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -22.668 -8.822 -3.106 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -23.116 -7.552 -5.093 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -21.981 -6.620 -4.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -21.461 -6.792 -6.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -20.193 -7.257 -5.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -21.120 -8.439 -6.326 1.00 0.00 H new ATOM 872 N TYR A 54 -15.954 -9.028 -2.756 1.00 0.00 N ATOM 873 CA TYR A 54 -14.817 -9.809 -2.286 1.00 0.00 C ATOM 874 C TYR A 54 -14.921 -10.076 -0.788 1.00 0.00 C ATOM 875 O TYR A 54 -14.466 -11.110 -0.299 1.00 0.00 O ATOM 876 CB TYR A 54 -13.506 -9.080 -2.600 1.00 0.00 C ATOM 877 CG TYR A 54 -12.565 -9.877 -3.474 1.00 0.00 C ATOM 878 CD1 TYR A 54 -12.218 -11.180 -3.147 1.00 0.00 C ATOM 879 CD2 TYR A 54 -12.025 -9.323 -4.629 1.00 0.00 C ATOM 880 CE1 TYR A 54 -11.358 -11.912 -3.944 1.00 0.00 C ATOM 881 CE2 TYR A 54 -11.164 -10.048 -5.431 1.00 0.00 C ATOM 882 CZ TYR A 54 -10.834 -11.342 -5.085 1.00 0.00 C ATOM 883 OH TYR A 54 -9.977 -12.066 -5.881 1.00 0.00 O ATOM 0 H TYR A 54 -15.901 -8.033 -2.540 1.00 0.00 H new ATOM 0 HA TYR A 54 -14.825 -10.767 -2.807 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -13.734 -8.135 -3.093 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -13.002 -8.837 -1.665 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -12.627 -11.630 -2.254 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -12.282 -8.311 -4.904 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -11.098 -12.925 -3.674 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -10.751 -9.603 -6.325 1.00 0.00 H new ATOM 0 HH TYR A 54 -9.700 -11.519 -6.645 1.00 0.00 H new ATOM 893 N GLY A 55 -15.524 -9.136 -0.067 1.00 0.00 N ATOM 894 CA GLY A 55 -15.676 -9.290 1.368 1.00 0.00 C ATOM 895 C GLY A 55 -14.393 -8.999 2.123 1.00 0.00 C ATOM 896 O GLY A 55 -13.670 -8.061 1.780 1.00 0.00 O ATOM 0 H GLY A 55 -15.909 -8.273 -0.450 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -16.461 -8.621 1.721 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -16.001 -10.307 1.589 1.00 0.00 H new ATOM 900 N PRO A 56 -14.073 -9.790 3.162 1.00 0.00 N ATOM 901 CA PRO A 56 -12.855 -9.595 3.958 1.00 0.00 C ATOM 902 C PRO A 56 -11.585 -9.921 3.174 1.00 0.00 C ATOM 903 O PRO A 56 -10.478 -9.633 3.628 1.00 0.00 O ATOM 904 CB PRO A 56 -13.029 -10.574 5.122 1.00 0.00 C ATOM 905 CG PRO A 56 -13.940 -11.628 4.599 1.00 0.00 C ATOM 906 CD PRO A 56 -14.871 -10.933 3.645 1.00 0.00 C ATOM 0 HA PRO A 56 -12.737 -8.557 4.269 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -12.072 -10.996 5.431 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -13.456 -10.079 5.994 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -13.378 -12.414 4.094 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -14.494 -12.102 5.409 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -15.171 -11.588 2.827 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -15.784 -10.605 4.142 1.00 0.00 H new ATOM 914 N GLU A 57 -11.749 -10.521 1.997 1.00 0.00 N ATOM 915 CA GLU A 57 -10.612 -10.883 1.157 1.00 0.00 C ATOM 916 C GLU A 57 -9.728 -9.670 0.879 1.00 0.00 C ATOM 917 O GLU A 57 -8.507 -9.790 0.777 1.00 0.00 O ATOM 918 CB GLU A 57 -11.099 -11.487 -0.162 1.00 0.00 C ATOM 919 CG GLU A 57 -11.163 -13.006 -0.147 1.00 0.00 C ATOM 920 CD GLU A 57 -9.830 -13.648 -0.469 1.00 0.00 C ATOM 921 OE1 GLU A 57 -9.020 -13.014 -1.178 1.00 0.00 O ATOM 922 OE2 GLU A 57 -9.592 -14.786 -0.013 1.00 0.00 O ATOM 0 H GLU A 57 -12.658 -10.766 1.604 1.00 0.00 H new ATOM 0 HA GLU A 57 -10.019 -11.624 1.693 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.089 -11.092 -0.390 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -10.436 -11.167 -0.966 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -11.496 -13.342 0.835 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -11.908 -13.342 -0.869 1.00 0.00 H new ATOM 929 N ALA A 58 -10.354 -8.503 0.758 1.00 0.00 N ATOM 930 CA ALA A 58 -9.624 -7.270 0.492 1.00 0.00 C ATOM 931 C ALA A 58 -8.609 -6.984 1.594 1.00 0.00 C ATOM 932 O ALA A 58 -7.439 -6.718 1.321 1.00 0.00 O ATOM 933 CB ALA A 58 -10.592 -6.106 0.349 1.00 0.00 C ATOM 0 H ALA A 58 -11.364 -8.386 0.840 1.00 0.00 H new ATOM 0 HA ALA A 58 -9.079 -7.393 -0.444 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -10.034 -5.191 0.151 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -11.276 -6.301 -0.477 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.161 -5.991 1.271 1.00 0.00 H new ATOM 939 N SER A 59 -9.066 -7.042 2.842 1.00 0.00 N ATOM 940 CA SER A 59 -8.198 -6.793 3.986 1.00 0.00 C ATOM 941 C SER A 59 -7.316 -8.002 4.290 1.00 0.00 C ATOM 942 O SER A 59 -6.329 -7.892 5.017 1.00 0.00 O ATOM 943 CB SER A 59 -9.035 -6.436 5.216 1.00 0.00 C ATOM 944 OG SER A 59 -8.240 -5.818 6.212 1.00 0.00 O ATOM 0 H SER A 59 -10.032 -7.259 3.085 1.00 0.00 H new ATOM 0 HA SER A 59 -7.548 -5.955 3.735 1.00 0.00 H new ATOM 0 HB2 SER A 59 -9.846 -5.767 4.926 1.00 0.00 H new ATOM 0 HB3 SER A 59 -9.495 -7.337 5.621 1.00 0.00 H new ATOM 0 HG SER A 59 -8.730 -5.064 6.601 1.00 0.00 H new ATOM 950 N ALA A 60 -7.678 -9.157 3.733 1.00 0.00 N ATOM 951 CA ALA A 60 -6.917 -10.384 3.948 1.00 0.00 C ATOM 952 C ALA A 60 -5.430 -10.176 3.671 1.00 0.00 C ATOM 953 O ALA A 60 -4.579 -10.835 4.268 1.00 0.00 O ATOM 954 CB ALA A 60 -7.467 -11.502 3.074 1.00 0.00 C ATOM 0 H ALA A 60 -8.493 -9.267 3.130 1.00 0.00 H new ATOM 0 HA ALA A 60 -7.023 -10.665 4.996 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.892 -12.412 3.243 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.512 -11.681 3.327 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.392 -11.214 2.025 1.00 0.00 H new ATOM 960 N PHE A 61 -5.124 -9.253 2.764 1.00 0.00 N ATOM 961 CA PHE A 61 -3.739 -8.957 2.410 1.00 0.00 C ATOM 962 C PHE A 61 -2.940 -8.541 3.642 1.00 0.00 C ATOM 963 O PHE A 61 -1.753 -8.847 3.759 1.00 0.00 O ATOM 964 CB PHE A 61 -3.689 -7.847 1.358 1.00 0.00 C ATOM 965 CG PHE A 61 -3.610 -8.357 -0.052 1.00 0.00 C ATOM 966 CD1 PHE A 61 -2.493 -9.051 -0.489 1.00 0.00 C ATOM 967 CD2 PHE A 61 -4.651 -8.143 -0.940 1.00 0.00 C ATOM 968 CE1 PHE A 61 -2.416 -9.521 -1.786 1.00 0.00 C ATOM 969 CE2 PHE A 61 -4.580 -8.612 -2.239 1.00 0.00 C ATOM 970 CZ PHE A 61 -3.462 -9.301 -2.662 1.00 0.00 C ATOM 0 H PHE A 61 -5.816 -8.697 2.261 1.00 0.00 H new ATOM 0 HA PHE A 61 -3.292 -9.862 1.998 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.576 -7.221 1.460 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -2.826 -7.211 1.554 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -1.673 -9.226 0.192 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.528 -7.604 -0.614 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.540 -10.060 -2.115 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.399 -8.439 -2.922 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.404 -9.668 -3.676 1.00 0.00 H new ATOM 980 N THR A 62 -3.603 -7.842 4.556 1.00 0.00 N ATOM 981 CA THR A 62 -2.964 -7.378 5.783 1.00 0.00 C ATOM 982 C THR A 62 -3.122 -8.399 6.909 1.00 0.00 C ATOM 983 O THR A 62 -2.442 -8.319 7.932 1.00 0.00 O ATOM 984 CB THR A 62 -3.565 -6.039 6.212 1.00 0.00 C ATOM 985 OG1 THR A 62 -4.891 -6.211 6.681 1.00 0.00 O ATOM 986 CG2 THR A 62 -3.602 -5.016 5.097 1.00 0.00 C ATOM 0 H THR A 62 -4.586 -7.583 4.471 1.00 0.00 H new ATOM 0 HA THR A 62 -1.900 -7.252 5.582 1.00 0.00 H new ATOM 0 HB THR A 62 -2.912 -5.669 7.002 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.378 -6.808 6.075 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.040 -4.089 5.468 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.588 -4.824 4.746 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.205 -5.398 4.273 1.00 0.00 H new ATOM 994 N LYS A 63 -4.035 -9.346 6.728 1.00 0.00 N ATOM 995 CA LYS A 63 -4.287 -10.365 7.738 1.00 0.00 C ATOM 996 C LYS A 63 -3.401 -11.597 7.548 1.00 0.00 C ATOM 997 O LYS A 63 -2.687 -12.001 8.462 1.00 0.00 O ATOM 998 CB LYS A 63 -5.760 -10.780 7.707 1.00 0.00 C ATOM 999 CG LYS A 63 -6.144 -11.746 8.818 1.00 0.00 C ATOM 1000 CD LYS A 63 -6.363 -13.153 8.285 1.00 0.00 C ATOM 1001 CE LYS A 63 -7.734 -13.298 7.645 1.00 0.00 C ATOM 1002 NZ LYS A 63 -8.744 -13.824 8.605 1.00 0.00 N ATOM 0 H LYS A 63 -4.613 -9.429 5.891 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.044 -9.929 8.707 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.382 -9.888 7.782 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.979 -11.241 6.744 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.360 -11.761 9.575 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.053 -11.396 9.307 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.591 -13.390 7.553 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.262 -13.871 9.099 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.062 -12.330 7.267 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.665 -13.968 6.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.665 -13.908 8.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.444 -14.760 8.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.829 -13.172 9.411 1.00 0.00 H new ATOM 1016 N LYS A 64 -3.476 -12.209 6.371 1.00 0.00 N ATOM 1017 CA LYS A 64 -2.701 -13.415 6.083 1.00 0.00 C ATOM 1018 C LYS A 64 -1.323 -13.104 5.505 1.00 0.00 C ATOM 1019 O LYS A 64 -0.298 -13.422 6.108 1.00 0.00 O ATOM 1020 CB LYS A 64 -3.475 -14.309 5.113 1.00 0.00 C ATOM 1021 CG LYS A 64 -2.932 -15.727 5.020 1.00 0.00 C ATOM 1022 CD LYS A 64 -2.117 -15.935 3.753 1.00 0.00 C ATOM 1023 CE LYS A 64 -1.937 -17.411 3.441 1.00 0.00 C ATOM 1024 NZ LYS A 64 -1.943 -17.675 1.975 1.00 0.00 N ATOM 0 H LYS A 64 -4.064 -11.892 5.600 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.546 -13.931 7.031 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.519 -14.349 5.424 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -3.455 -13.856 4.122 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -2.311 -15.937 5.891 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -3.760 -16.436 5.041 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.612 -15.443 2.916 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.140 -15.465 3.866 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.997 -17.760 3.869 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.735 -17.982 3.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.818 -18.693 1.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.850 -17.366 1.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.166 -17.151 1.525 1.00 0.00 H new ATOM 1038 N MET A 65 -1.311 -12.511 4.318 1.00 0.00 N ATOM 1039 CA MET A 65 -0.067 -12.188 3.630 1.00 0.00 C ATOM 1040 C MET A 65 0.823 -11.251 4.443 1.00 0.00 C ATOM 1041 O MET A 65 2.027 -11.165 4.196 1.00 0.00 O ATOM 1042 CB MET A 65 -0.367 -11.565 2.265 1.00 0.00 C ATOM 1043 CG MET A 65 0.260 -12.321 1.105 1.00 0.00 C ATOM 1044 SD MET A 65 0.014 -11.495 -0.479 1.00 0.00 S ATOM 1045 CE MET A 65 0.323 -12.842 -1.617 1.00 0.00 C ATOM 0 H MET A 65 -2.153 -12.243 3.809 1.00 0.00 H new ATOM 0 HA MET A 65 0.478 -13.123 3.499 1.00 0.00 H new ATOM 0 HB2 MET A 65 -1.447 -11.525 2.122 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.006 -10.537 2.256 1.00 0.00 H new ATOM 0 HG2 MET A 65 1.328 -12.437 1.287 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.166 -13.323 1.057 1.00 0.00 H new ATOM 0 HE1 MET A 65 0.209 -12.487 -2.641 1.00 0.00 H new ATOM 0 HE2 MET A 65 1.337 -13.214 -1.473 1.00 0.00 H new ATOM 0 HE3 MET A 65 -0.389 -13.646 -1.431 1.00 0.00 H new ATOM 1055 N TRP A 66 0.237 -10.539 5.397 1.00 0.00 N ATOM 1056 CA TRP A 66 1.006 -9.603 6.210 1.00 0.00 C ATOM 1057 C TRP A 66 1.384 -10.190 7.569 1.00 0.00 C ATOM 1058 O TRP A 66 2.444 -9.876 8.110 1.00 0.00 O ATOM 1059 CB TRP A 66 0.227 -8.302 6.401 1.00 0.00 C ATOM 1060 CG TRP A 66 1.030 -7.212 7.045 1.00 0.00 C ATOM 1061 CD1 TRP A 66 1.565 -6.115 6.432 1.00 0.00 C ATOM 1062 CD2 TRP A 66 1.388 -7.112 8.429 1.00 0.00 C ATOM 1063 NE1 TRP A 66 2.234 -5.339 7.348 1.00 0.00 N ATOM 1064 CE2 TRP A 66 2.140 -5.930 8.582 1.00 0.00 C ATOM 1065 CE3 TRP A 66 1.146 -7.906 9.553 1.00 0.00 C ATOM 1066 CZ2 TRP A 66 2.649 -5.525 9.814 1.00 0.00 C ATOM 1067 CZ3 TRP A 66 1.653 -7.503 10.776 1.00 0.00 C ATOM 1068 CH2 TRP A 66 2.396 -6.323 10.896 1.00 0.00 C ATOM 0 H TRP A 66 -0.756 -10.589 5.626 1.00 0.00 H new ATOM 0 HA TRP A 66 1.932 -9.398 5.673 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -0.129 -7.955 5.431 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -0.654 -8.502 7.011 1.00 0.00 H new ATOM 0 HD1 TRP A 66 1.475 -5.890 5.380 1.00 0.00 H new ATOM 0 HE1 TRP A 66 2.721 -4.466 7.144 1.00 0.00 H new ATOM 0 HE3 TRP A 66 0.574 -8.818 9.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 3.222 -4.615 9.911 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 1.472 -8.109 11.652 1.00 0.00 H new ATOM 0 HH2 TRP A 66 2.778 -6.036 11.864 1.00 0.00 H new ATOM 1079 N GLU A 67 0.513 -11.023 8.129 1.00 0.00 N ATOM 1080 CA GLU A 67 0.772 -11.620 9.437 1.00 0.00 C ATOM 1081 C GLU A 67 1.427 -12.996 9.325 1.00 0.00 C ATOM 1082 O GLU A 67 2.467 -13.245 9.935 1.00 0.00 O ATOM 1083 CB GLU A 67 -0.528 -11.734 10.237 1.00 0.00 C ATOM 1084 CG GLU A 67 -1.354 -10.457 10.240 1.00 0.00 C ATOM 1085 CD GLU A 67 -1.044 -9.562 11.424 1.00 0.00 C ATOM 1086 OE1 GLU A 67 0.020 -9.753 12.049 1.00 0.00 O ATOM 1087 OE2 GLU A 67 -1.865 -8.671 11.727 1.00 0.00 O ATOM 0 H GLU A 67 -0.372 -11.299 7.703 1.00 0.00 H new ATOM 0 HA GLU A 67 1.468 -10.961 9.956 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.129 -12.545 9.825 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.290 -12.005 11.265 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.170 -9.908 9.317 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.413 -10.714 10.252 1.00 0.00 H new ATOM 1094 N ASN A 68 0.808 -13.891 8.562 1.00 0.00 N ATOM 1095 CA ASN A 68 1.332 -15.245 8.401 1.00 0.00 C ATOM 1096 C ASN A 68 2.475 -15.288 7.391 1.00 0.00 C ATOM 1097 O ASN A 68 3.356 -16.144 7.476 1.00 0.00 O ATOM 1098 CB ASN A 68 0.214 -16.194 7.962 1.00 0.00 C ATOM 1099 CG ASN A 68 0.173 -17.461 8.795 1.00 0.00 C ATOM 1100 OD1 ASN A 68 -0.587 -17.561 9.758 1.00 0.00 O ATOM 1101 ND2 ASN A 68 0.994 -18.439 8.427 1.00 0.00 N ATOM 0 H ASN A 68 -0.053 -13.706 8.047 1.00 0.00 H new ATOM 0 HA ASN A 68 1.723 -15.566 9.366 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -0.745 -15.681 8.037 1.00 0.00 H new ATOM 0 HB3 ASN A 68 0.354 -16.456 6.913 1.00 0.00 H new ATOM 0 HD21 ASN A 68 1.010 -19.315 8.950 1.00 0.00 H new ATOM 0 HD22 ASN A 68 1.608 -18.314 7.622 1.00 0.00 H new ATOM 1108 N ALA A 69 2.456 -14.368 6.434 1.00 0.00 N ATOM 1109 CA ALA A 69 3.495 -14.315 5.413 1.00 0.00 C ATOM 1110 C ALA A 69 4.414 -13.116 5.622 1.00 0.00 C ATOM 1111 O ALA A 69 4.000 -12.091 6.164 1.00 0.00 O ATOM 1112 CB ALA A 69 2.868 -14.272 4.030 1.00 0.00 C ATOM 0 H ALA A 69 1.736 -13.651 6.344 1.00 0.00 H new ATOM 0 HA ALA A 69 4.101 -15.217 5.498 1.00 0.00 H new ATOM 0 HB1 ALA A 69 3.654 -14.233 3.275 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.262 -15.165 3.877 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.237 -13.387 3.944 1.00 0.00 H new ATOM 1118 N LYS A 70 5.664 -13.252 5.192 1.00 0.00 N ATOM 1119 CA LYS A 70 6.644 -12.182 5.333 1.00 0.00 C ATOM 1120 C LYS A 70 6.775 -11.377 4.042 1.00 0.00 C ATOM 1121 O LYS A 70 7.533 -11.744 3.144 1.00 0.00 O ATOM 1122 CB LYS A 70 8.006 -12.759 5.726 1.00 0.00 C ATOM 1123 CG LYS A 70 8.170 -12.965 7.223 1.00 0.00 C ATOM 1124 CD LYS A 70 9.333 -13.893 7.531 1.00 0.00 C ATOM 1125 CE LYS A 70 8.900 -15.351 7.522 1.00 0.00 C ATOM 1126 NZ LYS A 70 9.285 -16.035 6.256 1.00 0.00 N ATOM 0 H LYS A 70 6.022 -14.094 4.742 1.00 0.00 H new ATOM 0 HA LYS A 70 6.296 -11.512 6.119 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.147 -13.713 5.219 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.791 -12.090 5.371 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.332 -12.003 7.709 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.251 -13.380 7.637 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.124 -13.743 6.796 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.751 -13.643 8.506 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.352 -15.870 8.367 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.819 -15.410 7.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.307 -17.063 6.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.591 -15.810 5.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.227 -15.710 5.958 1.00 0.00 H new ATOM 1140 N LYS A 71 6.037 -10.274 3.963 1.00 0.00 N ATOM 1141 CA LYS A 71 6.073 -9.406 2.788 1.00 0.00 C ATOM 1142 C LYS A 71 5.453 -8.055 3.105 1.00 0.00 C ATOM 1143 O LYS A 71 4.230 -7.904 3.094 1.00 0.00 O ATOM 1144 CB LYS A 71 5.326 -10.042 1.617 1.00 0.00 C ATOM 1145 CG LYS A 71 3.952 -10.569 1.990 1.00 0.00 C ATOM 1146 CD LYS A 71 3.966 -12.071 2.219 1.00 0.00 C ATOM 1147 CE LYS A 71 4.478 -12.821 0.998 1.00 0.00 C ATOM 1148 NZ LYS A 71 3.783 -14.125 0.815 1.00 0.00 N ATOM 0 H LYS A 71 5.405 -9.959 4.699 1.00 0.00 H new ATOM 0 HA LYS A 71 7.118 -9.268 2.509 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.220 -9.305 0.821 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.924 -10.861 1.216 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.603 -10.067 2.892 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.243 -10.329 1.197 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.595 -12.302 3.079 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.959 -12.412 2.460 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.337 -12.206 0.109 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.550 -12.992 1.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.823 -14.402 -0.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.250 -14.852 1.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.790 -14.033 1.109 1.00 0.00 H new ATOM 1162 N ILE A 72 6.297 -7.074 3.385 1.00 0.00 N ATOM 1163 CA ILE A 72 5.822 -5.737 3.701 1.00 0.00 C ATOM 1164 C ILE A 72 6.605 -4.682 2.935 1.00 0.00 C ATOM 1165 O ILE A 72 7.834 -4.659 2.969 1.00 0.00 O ATOM 1166 CB ILE A 72 5.924 -5.439 5.207 1.00 0.00 C ATOM 1167 CG1 ILE A 72 7.284 -5.907 5.752 1.00 0.00 C ATOM 1168 CG2 ILE A 72 4.766 -6.091 5.949 1.00 0.00 C ATOM 1169 CD1 ILE A 72 7.274 -7.301 6.345 1.00 0.00 C ATOM 0 H ILE A 72 7.312 -7.178 3.400 1.00 0.00 H new ATOM 0 HA ILE A 72 4.774 -5.700 3.403 1.00 0.00 H new ATOM 0 HB ILE A 72 5.858 -4.363 5.366 1.00 0.00 H new ATOM 0 HG12 ILE A 72 8.016 -5.874 4.945 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.618 -5.203 6.514 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.848 -5.874 7.014 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.823 -5.697 5.570 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.797 -7.170 5.795 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.272 -7.550 6.705 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.569 -7.338 7.176 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.974 -8.019 5.582 1.00 0.00 H new ATOM 1181 N GLU A 73 5.879 -3.814 2.244 1.00 0.00 N ATOM 1182 CA GLU A 73 6.496 -2.747 1.465 1.00 0.00 C ATOM 1183 C GLU A 73 5.474 -1.665 1.126 1.00 0.00 C ATOM 1184 O GLU A 73 4.268 -1.912 1.132 1.00 0.00 O ATOM 1185 CB GLU A 73 7.112 -3.312 0.184 1.00 0.00 C ATOM 1186 CG GLU A 73 8.630 -3.401 0.230 1.00 0.00 C ATOM 1187 CD GLU A 73 9.157 -4.700 -0.348 1.00 0.00 C ATOM 1188 OE1 GLU A 73 9.129 -5.723 0.369 1.00 0.00 O ATOM 1189 OE2 GLU A 73 9.598 -4.694 -1.516 1.00 0.00 O ATOM 0 H GLU A 73 4.860 -3.827 2.206 1.00 0.00 H new ATOM 0 HA GLU A 73 7.286 -2.298 2.067 1.00 0.00 H new ATOM 0 HB2 GLU A 73 6.703 -4.306 0.001 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.818 -2.686 -0.658 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.056 -2.563 -0.322 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.964 -3.305 1.263 1.00 0.00 H new ATOM 1196 N VAL A 74 5.965 -0.466 0.829 1.00 0.00 N ATOM 1197 CA VAL A 74 5.094 0.651 0.488 1.00 0.00 C ATOM 1198 C VAL A 74 5.597 1.382 -0.751 1.00 0.00 C ATOM 1199 O VAL A 74 6.794 1.384 -1.040 1.00 0.00 O ATOM 1200 CB VAL A 74 4.981 1.653 1.652 1.00 0.00 C ATOM 1201 CG1 VAL A 74 4.119 1.085 2.767 1.00 0.00 C ATOM 1202 CG2 VAL A 74 6.362 2.026 2.170 1.00 0.00 C ATOM 0 H VAL A 74 6.960 -0.244 0.818 1.00 0.00 H new ATOM 0 HA VAL A 74 4.109 0.232 0.284 1.00 0.00 H new ATOM 0 HB VAL A 74 4.500 2.559 1.282 1.00 0.00 H new ATOM 0 HG11 VAL A 74 4.052 1.808 3.580 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.120 0.876 2.384 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.566 0.163 3.138 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.263 2.735 2.992 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.873 1.130 2.523 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.941 2.481 1.367 1.00 0.00 H new ATOM 1212 N GLU A 75 4.676 2.005 -1.480 1.00 0.00 N ATOM 1213 CA GLU A 75 5.025 2.741 -2.689 1.00 0.00 C ATOM 1214 C GLU A 75 3.960 3.781 -3.018 1.00 0.00 C ATOM 1215 O GLU A 75 2.968 3.480 -3.681 1.00 0.00 O ATOM 1216 CB GLU A 75 5.193 1.776 -3.864 1.00 0.00 C ATOM 1217 CG GLU A 75 6.500 1.960 -4.619 1.00 0.00 C ATOM 1218 CD GLU A 75 6.581 1.094 -5.861 1.00 0.00 C ATOM 1219 OE1 GLU A 75 5.921 0.033 -5.889 1.00 0.00 O ATOM 1220 OE2 GLU A 75 7.303 1.476 -6.806 1.00 0.00 O ATOM 0 H GLU A 75 3.681 2.014 -1.254 1.00 0.00 H new ATOM 0 HA GLU A 75 5.968 3.258 -2.513 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.138 0.752 -3.494 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.361 1.910 -4.556 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.608 3.007 -4.903 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.334 1.721 -3.959 1.00 0.00 H new ATOM 1227 N PHE A 76 4.168 5.007 -2.548 1.00 0.00 N ATOM 1228 CA PHE A 76 3.218 6.086 -2.792 1.00 0.00 C ATOM 1229 C PHE A 76 3.937 7.413 -3.013 1.00 0.00 C ATOM 1230 O PHE A 76 4.633 7.908 -2.127 1.00 0.00 O ATOM 1231 CB PHE A 76 2.247 6.208 -1.617 1.00 0.00 C ATOM 1232 CG PHE A 76 2.930 6.441 -0.300 1.00 0.00 C ATOM 1233 CD1 PHE A 76 3.423 5.377 0.437 1.00 0.00 C ATOM 1234 CD2 PHE A 76 3.081 7.725 0.199 1.00 0.00 C ATOM 1235 CE1 PHE A 76 4.054 5.588 1.649 1.00 0.00 C ATOM 1236 CE2 PHE A 76 3.710 7.941 1.410 1.00 0.00 C ATOM 1237 CZ PHE A 76 4.198 6.872 2.135 1.00 0.00 C ATOM 0 H PHE A 76 4.983 5.277 -1.998 1.00 0.00 H new ATOM 0 HA PHE A 76 2.660 5.846 -3.697 1.00 0.00 H new ATOM 0 HB2 PHE A 76 1.556 7.029 -1.810 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.650 5.298 -1.552 1.00 0.00 H new ATOM 0 HD1 PHE A 76 3.313 4.371 0.061 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.703 8.565 -0.364 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.434 4.750 2.214 1.00 0.00 H new ATOM 0 HE2 PHE A 76 3.820 8.946 1.790 1.00 0.00 H new ATOM 0 HZ PHE A 76 4.692 7.040 3.081 1.00 0.00 H new ATOM 1247 N ASP A 77 3.761 7.984 -4.201 1.00 0.00 N ATOM 1248 CA ASP A 77 4.386 9.256 -4.538 1.00 0.00 C ATOM 1249 C ASP A 77 3.456 10.416 -4.203 1.00 0.00 C ATOM 1250 O ASP A 77 2.629 10.818 -5.022 1.00 0.00 O ATOM 1251 CB ASP A 77 4.750 9.290 -6.024 1.00 0.00 C ATOM 1252 CG ASP A 77 6.152 8.776 -6.291 1.00 0.00 C ATOM 1253 OD1 ASP A 77 6.452 7.634 -5.886 1.00 0.00 O ATOM 1254 OD2 ASP A 77 6.949 9.516 -6.904 1.00 0.00 O ATOM 0 H ASP A 77 3.190 7.585 -4.946 1.00 0.00 H new ATOM 0 HA ASP A 77 5.296 9.358 -3.947 1.00 0.00 H new ATOM 0 HB2 ASP A 77 4.034 8.689 -6.584 1.00 0.00 H new ATOM 0 HB3 ASP A 77 4.665 10.312 -6.392 1.00 0.00 H new ATOM 1259 N LYS A 78 3.593 10.948 -2.994 1.00 0.00 N ATOM 1260 CA LYS A 78 2.759 12.059 -2.550 1.00 0.00 C ATOM 1261 C LYS A 78 3.449 13.397 -2.796 1.00 0.00 C ATOM 1262 O LYS A 78 3.015 14.182 -3.639 1.00 0.00 O ATOM 1263 CB LYS A 78 2.423 11.910 -1.064 1.00 0.00 C ATOM 1264 CG LYS A 78 1.271 12.793 -0.613 1.00 0.00 C ATOM 1265 CD LYS A 78 0.000 11.986 -0.392 1.00 0.00 C ATOM 1266 CE LYS A 78 -0.427 11.256 -1.657 1.00 0.00 C ATOM 1267 NZ LYS A 78 -1.109 12.161 -2.623 1.00 0.00 N ATOM 0 H LYS A 78 4.273 10.628 -2.304 1.00 0.00 H new ATOM 0 HA LYS A 78 1.836 12.038 -3.129 1.00 0.00 H new ATOM 0 HB2 LYS A 78 2.175 10.869 -0.858 1.00 0.00 H new ATOM 0 HB3 LYS A 78 3.307 12.150 -0.474 1.00 0.00 H new ATOM 0 HG2 LYS A 78 1.543 13.304 0.310 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.088 13.564 -1.362 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.161 11.264 0.409 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.801 12.650 -0.066 1.00 0.00 H new ATOM 0 HE2 LYS A 78 0.448 10.813 -2.132 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.096 10.437 -1.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.383 11.622 -3.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.959 12.565 -2.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -0.463 12.929 -2.895 1.00 0.00 H new ATOM 1281 N GLY A 79 4.518 13.654 -2.051 1.00 0.00 N ATOM 1282 CA GLY A 79 5.243 14.901 -2.204 1.00 0.00 C ATOM 1283 C GLY A 79 4.403 16.106 -1.829 1.00 0.00 C ATOM 1284 O GLY A 79 4.621 17.207 -2.335 1.00 0.00 O ATOM 0 H GLY A 79 4.895 13.022 -1.345 1.00 0.00 H new ATOM 0 HA2 GLY A 79 6.138 14.877 -1.582 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.576 15.001 -3.237 1.00 0.00 H new ATOM 1288 N GLN A 80 3.437 15.897 -0.937 1.00 0.00 N ATOM 1289 CA GLN A 80 2.561 16.973 -0.493 1.00 0.00 C ATOM 1290 C GLN A 80 2.506 17.033 1.029 1.00 0.00 C ATOM 1291 O GLN A 80 2.040 16.101 1.683 1.00 0.00 O ATOM 1292 CB GLN A 80 1.153 16.778 -1.058 1.00 0.00 C ATOM 1293 CG GLN A 80 1.056 17.041 -2.553 1.00 0.00 C ATOM 1294 CD GLN A 80 -0.325 16.751 -3.108 1.00 0.00 C ATOM 1295 OE1 GLN A 80 -1.232 17.578 -3.010 1.00 0.00 O ATOM 1296 NE2 GLN A 80 -0.491 15.572 -3.695 1.00 0.00 N ATOM 0 H GLN A 80 3.243 14.992 -0.509 1.00 0.00 H new ATOM 0 HA GLN A 80 2.966 17.915 -0.863 1.00 0.00 H new ATOM 0 HB2 GLN A 80 0.827 15.758 -0.855 1.00 0.00 H new ATOM 0 HB3 GLN A 80 0.465 17.443 -0.535 1.00 0.00 H new ATOM 0 HG2 GLN A 80 1.312 18.081 -2.752 1.00 0.00 H new ATOM 0 HG3 GLN A 80 1.790 16.426 -3.075 1.00 0.00 H new ATOM 0 HE21 GLN A 80 0.289 14.917 -3.754 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -1.398 15.321 -4.087 1.00 0.00 H new ATOM 1305 N ARG A 81 2.987 18.138 1.587 1.00 0.00 N ATOM 1306 CA ARG A 81 2.995 18.325 3.032 1.00 0.00 C ATOM 1307 C ARG A 81 1.577 18.281 3.595 1.00 0.00 C ATOM 1308 O ARG A 81 0.830 19.256 3.495 1.00 0.00 O ATOM 1309 CB ARG A 81 3.654 19.660 3.390 1.00 0.00 C ATOM 1310 CG ARG A 81 3.189 20.818 2.521 1.00 0.00 C ATOM 1311 CD ARG A 81 3.589 22.160 3.112 1.00 0.00 C ATOM 1312 NE ARG A 81 2.427 22.963 3.485 1.00 0.00 N ATOM 1313 CZ ARG A 81 2.504 24.122 4.132 1.00 0.00 C ATOM 1314 NH1 ARG A 81 3.686 24.619 4.478 1.00 0.00 N ATOM 1315 NH2 ARG A 81 1.398 24.788 4.437 1.00 0.00 N ATOM 0 H ARG A 81 3.377 18.919 1.059 1.00 0.00 H new ATOM 0 HA ARG A 81 3.569 17.511 3.475 1.00 0.00 H new ATOM 0 HB2 ARG A 81 3.443 19.892 4.434 1.00 0.00 H new ATOM 0 HB3 ARG A 81 4.735 19.559 3.298 1.00 0.00 H new ATOM 0 HG2 ARG A 81 3.616 20.718 1.523 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.105 20.778 2.410 1.00 0.00 H new ATOM 0 HD2 ARG A 81 4.214 21.997 3.990 1.00 0.00 H new ATOM 0 HD3 ARG A 81 4.192 22.709 2.389 1.00 0.00 H new ATOM 0 HE ARG A 81 1.502 22.614 3.234 1.00 0.00 H new ATOM 0 HH11 ARG A 81 4.540 24.111 4.247 1.00 0.00 H new ATOM 0 HH12 ARG A 81 3.740 25.509 4.974 1.00 0.00 H new ATOM 0 HH21 ARG A 81 0.487 24.411 4.175 1.00 0.00 H new ATOM 0 HH22 ARG A 81 1.459 25.677 4.933 1.00 0.00 H new ATOM 1329 N THR A 82 1.213 17.149 4.190 1.00 0.00 N ATOM 1330 CA THR A 82 -0.117 16.990 4.772 1.00 0.00 C ATOM 1331 C THR A 82 -0.360 18.049 5.843 1.00 0.00 C ATOM 1332 O THR A 82 0.575 18.506 6.499 1.00 0.00 O ATOM 1333 CB THR A 82 -0.278 15.590 5.363 1.00 0.00 C ATOM 1334 OG1 THR A 82 0.075 14.601 4.412 1.00 0.00 O ATOM 1335 CG2 THR A 82 -1.687 15.296 5.827 1.00 0.00 C ATOM 0 H THR A 82 1.816 16.332 4.282 1.00 0.00 H new ATOM 0 HA THR A 82 -0.857 17.120 3.982 1.00 0.00 H new ATOM 0 HB THR A 82 0.386 15.563 6.227 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.430 13.814 4.875 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.732 14.287 6.236 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.973 16.012 6.597 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.372 15.377 4.983 1.00 0.00 H new ATOM 1343 N ASP A 83 -1.617 18.452 6.002 1.00 0.00 N ATOM 1344 CA ASP A 83 -1.972 19.479 6.980 1.00 0.00 C ATOM 1345 C ASP A 83 -2.879 18.933 8.081 1.00 0.00 C ATOM 1346 O ASP A 83 -2.637 19.168 9.265 1.00 0.00 O ATOM 1347 CB ASP A 83 -2.653 20.659 6.280 1.00 0.00 C ATOM 1348 CG ASP A 83 -1.818 21.924 6.337 1.00 0.00 C ATOM 1349 OD1 ASP A 83 -1.014 22.063 7.281 1.00 0.00 O ATOM 1350 OD2 ASP A 83 -1.969 22.776 5.436 1.00 0.00 O ATOM 0 H ASP A 83 -2.406 18.085 5.469 1.00 0.00 H new ATOM 0 HA ASP A 83 -1.048 19.815 7.451 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -2.844 20.399 5.239 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -3.621 20.844 6.745 1.00 0.00 H new ATOM 1355 N LYS A 84 -3.935 18.227 7.680 1.00 0.00 N ATOM 1356 CA LYS A 84 -4.900 17.665 8.628 1.00 0.00 C ATOM 1357 C LYS A 84 -4.219 17.113 9.881 1.00 0.00 C ATOM 1358 O LYS A 84 -4.448 17.602 10.987 1.00 0.00 O ATOM 1359 CB LYS A 84 -5.733 16.567 7.959 1.00 0.00 C ATOM 1360 CG LYS A 84 -4.929 15.641 7.057 1.00 0.00 C ATOM 1361 CD LYS A 84 -5.689 15.307 5.783 1.00 0.00 C ATOM 1362 CE LYS A 84 -4.832 14.507 4.814 1.00 0.00 C ATOM 1363 NZ LYS A 84 -5.555 13.320 4.283 1.00 0.00 N ATOM 0 H LYS A 84 -4.146 18.029 6.702 1.00 0.00 H new ATOM 0 HA LYS A 84 -5.557 18.478 8.938 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -6.219 15.972 8.732 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -6.524 17.033 7.371 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -3.980 16.113 6.803 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -4.694 14.722 7.594 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -6.585 14.739 6.032 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.019 16.228 5.303 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -4.527 15.147 3.986 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.922 14.182 5.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -4.937 12.802 3.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -5.824 12.696 5.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -6.411 13.631 3.780 1.00 0.00 H new ATOM 1377 N TYR A 85 -3.384 16.095 9.705 1.00 0.00 N ATOM 1378 CA TYR A 85 -2.682 15.486 10.830 1.00 0.00 C ATOM 1379 C TYR A 85 -1.200 15.292 10.518 1.00 0.00 C ATOM 1380 O TYR A 85 -0.349 15.413 11.400 1.00 0.00 O ATOM 1381 CB TYR A 85 -3.318 14.141 11.185 1.00 0.00 C ATOM 1382 CG TYR A 85 -3.058 13.705 12.609 1.00 0.00 C ATOM 1383 CD1 TYR A 85 -1.774 13.392 13.037 1.00 0.00 C ATOM 1384 CD2 TYR A 85 -4.098 13.608 13.526 1.00 0.00 C ATOM 1385 CE1 TYR A 85 -1.534 12.993 14.338 1.00 0.00 C ATOM 1386 CE2 TYR A 85 -3.865 13.211 14.829 1.00 0.00 C ATOM 1387 CZ TYR A 85 -2.582 12.905 15.230 1.00 0.00 C ATOM 1388 OH TYR A 85 -2.346 12.507 16.526 1.00 0.00 O ATOM 0 H TYR A 85 -3.177 15.675 8.799 1.00 0.00 H new ATOM 0 HA TYR A 85 -2.766 16.161 11.682 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -4.394 14.204 11.024 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.938 13.378 10.505 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -0.950 13.462 12.342 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -5.104 13.847 13.215 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -0.530 12.751 14.655 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -4.684 13.141 15.530 1.00 0.00 H new ATOM 0 HH TYR A 85 -3.190 12.499 17.024 1.00 0.00 H new ATOM 1398 N GLY A 86 -0.901 14.979 9.263 1.00 0.00 N ATOM 1399 CA GLY A 86 0.476 14.763 8.861 1.00 0.00 C ATOM 1400 C GLY A 86 0.688 13.371 8.305 1.00 0.00 C ATOM 1401 O GLY A 86 1.748 12.772 8.492 1.00 0.00 O ATOM 0 H GLY A 86 -1.588 14.871 8.516 1.00 0.00 H new ATOM 0 HA2 GLY A 86 0.755 15.501 8.109 1.00 0.00 H new ATOM 0 HA3 GLY A 86 1.133 14.916 9.717 1.00 0.00 H new ATOM 1405 N ARG A 87 -0.325 12.853 7.616 1.00 0.00 N ATOM 1406 CA ARG A 87 -0.249 11.519 7.029 1.00 0.00 C ATOM 1407 C ARG A 87 -0.865 11.501 5.638 1.00 0.00 C ATOM 1408 O ARG A 87 -2.044 11.811 5.460 1.00 0.00 O ATOM 1409 CB ARG A 87 -0.950 10.489 7.921 1.00 0.00 C ATOM 1410 CG ARG A 87 -2.154 11.041 8.670 1.00 0.00 C ATOM 1411 CD ARG A 87 -3.342 10.096 8.587 1.00 0.00 C ATOM 1412 NE ARG A 87 -4.520 10.632 9.266 1.00 0.00 N ATOM 1413 CZ ARG A 87 -5.759 10.196 9.053 1.00 0.00 C ATOM 1414 NH1 ARG A 87 -5.984 9.212 8.192 1.00 0.00 N ATOM 1415 NH2 ARG A 87 -6.776 10.742 9.706 1.00 0.00 N ATOM 0 H ARG A 87 -1.208 13.337 7.451 1.00 0.00 H new ATOM 0 HA ARG A 87 0.805 11.254 6.948 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -1.271 9.649 7.306 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -0.232 10.100 8.643 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -1.890 11.205 9.715 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -2.429 12.011 8.255 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -3.582 9.907 7.541 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.074 9.137 9.030 1.00 0.00 H new ATOM 0 HE ARG A 87 -4.385 11.384 9.942 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.205 8.786 7.690 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -6.936 8.882 8.032 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -6.609 11.496 10.372 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -7.726 10.408 9.542 1.00 0.00 H new ATOM 1429 N GLY A 88 -0.055 11.138 4.653 1.00 0.00 N ATOM 1430 CA GLY A 88 -0.520 11.085 3.283 1.00 0.00 C ATOM 1431 C GLY A 88 -1.403 9.882 3.009 1.00 0.00 C ATOM 1432 O GLY A 88 -2.239 9.511 3.832 1.00 0.00 O ATOM 0 H GLY A 88 0.923 10.878 4.781 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.074 11.996 3.056 1.00 0.00 H new ATOM 0 HA3 GLY A 88 0.339 11.060 2.613 1.00 0.00 H new ATOM 1436 N LEU A 89 -1.219 9.282 1.839 1.00 0.00 N ATOM 1437 CA LEU A 89 -2.003 8.121 1.431 1.00 0.00 C ATOM 1438 C LEU A 89 -1.099 6.979 0.976 1.00 0.00 C ATOM 1439 O LEU A 89 -0.399 7.109 -0.029 1.00 0.00 O ATOM 1440 CB LEU A 89 -2.938 8.516 0.285 1.00 0.00 C ATOM 1441 CG LEU A 89 -3.787 9.764 0.538 1.00 0.00 C ATOM 1442 CD1 LEU A 89 -3.043 11.016 0.102 1.00 0.00 C ATOM 1443 CD2 LEU A 89 -5.118 9.657 -0.189 1.00 0.00 C ATOM 0 H LEU A 89 -0.529 9.583 1.151 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.583 7.780 2.288 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.340 8.679 -0.611 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.604 7.679 0.076 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.981 9.836 1.608 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.664 11.892 0.290 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.114 11.102 0.665 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.817 10.953 -0.963 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.710 10.552 0.001 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.941 9.560 -1.260 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.659 8.782 0.170 1.00 0.00 H new ATOM 1455 N ALA A 90 -1.116 5.850 1.690 1.00 0.00 N ATOM 1456 CA ALA A 90 -0.288 4.717 1.286 1.00 0.00 C ATOM 1457 C ALA A 90 -1.023 3.387 1.363 1.00 0.00 C ATOM 1458 O ALA A 90 -2.059 3.269 1.997 1.00 0.00 O ATOM 1459 CB ALA A 90 1.016 4.657 2.066 1.00 0.00 C ATOM 0 H ALA A 90 -1.678 5.700 2.528 1.00 0.00 H new ATOM 0 HA ALA A 90 -0.048 4.889 0.237 1.00 0.00 H new ATOM 0 HB1 ALA A 90 1.600 3.799 1.733 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.584 5.571 1.895 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.799 4.558 3.130 1.00 0.00 H new ATOM 1465 N TYR A 91 -0.480 2.387 0.675 1.00 0.00 N ATOM 1466 CA TYR A 91 -1.088 1.060 0.636 1.00 0.00 C ATOM 1467 C TYR A 91 -0.039 -0.014 0.909 1.00 0.00 C ATOM 1468 O TYR A 91 1.158 0.216 0.733 1.00 0.00 O ATOM 1469 CB TYR A 91 -1.752 0.819 -0.730 1.00 0.00 C ATOM 1470 CG TYR A 91 -1.806 2.054 -1.608 1.00 0.00 C ATOM 1471 CD1 TYR A 91 -2.416 3.219 -1.161 1.00 0.00 C ATOM 1472 CD2 TYR A 91 -1.227 2.062 -2.871 1.00 0.00 C ATOM 1473 CE1 TYR A 91 -2.451 4.354 -1.942 1.00 0.00 C ATOM 1474 CE2 TYR A 91 -1.262 3.194 -3.664 1.00 0.00 C ATOM 1475 CZ TYR A 91 -1.874 4.339 -3.194 1.00 0.00 C ATOM 1476 OH TYR A 91 -1.905 5.469 -3.978 1.00 0.00 O ATOM 0 H TYR A 91 0.382 2.470 0.136 1.00 0.00 H new ATOM 0 HA TYR A 91 -1.852 1.005 1.412 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -1.208 0.034 -1.255 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -2.766 0.452 -0.571 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -2.872 3.236 -0.182 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -0.742 1.170 -3.239 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -2.928 5.251 -1.575 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -0.813 3.183 -4.646 1.00 0.00 H new ATOM 0 HH TYR A 91 -1.453 5.289 -4.829 1.00 0.00 H new ATOM 1486 N ILE A 92 -0.493 -1.184 1.345 1.00 0.00 N ATOM 1487 CA ILE A 92 0.412 -2.288 1.648 1.00 0.00 C ATOM 1488 C ILE A 92 0.842 -3.016 0.381 1.00 0.00 C ATOM 1489 O ILE A 92 0.084 -3.103 -0.587 1.00 0.00 O ATOM 1490 CB ILE A 92 -0.240 -3.298 2.613 1.00 0.00 C ATOM 1491 CG1 ILE A 92 -1.504 -3.893 1.991 1.00 0.00 C ATOM 1492 CG2 ILE A 92 -0.561 -2.629 3.941 1.00 0.00 C ATOM 1493 CD1 ILE A 92 -1.286 -5.253 1.363 1.00 0.00 C ATOM 0 H ILE A 92 -1.480 -1.393 1.496 1.00 0.00 H new ATOM 0 HA ILE A 92 1.290 -1.853 2.125 1.00 0.00 H new ATOM 0 HB ILE A 92 0.466 -4.108 2.796 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.273 -3.975 2.759 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -1.883 -3.208 1.233 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.021 -3.354 4.612 1.00 0.00 H new ATOM 0 HG22 ILE A 92 0.358 -2.251 4.390 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.250 -1.801 3.774 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.224 -5.614 0.942 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.540 -5.173 0.572 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.936 -5.953 2.122 1.00 0.00 H new ATOM 1505 N TYR A 93 2.063 -3.542 0.393 1.00 0.00 N ATOM 1506 CA TYR A 93 2.597 -4.265 -0.755 1.00 0.00 C ATOM 1507 C TYR A 93 3.391 -5.488 -0.306 1.00 0.00 C ATOM 1508 O TYR A 93 4.263 -5.393 0.557 1.00 0.00 O ATOM 1509 CB TYR A 93 3.483 -3.348 -1.598 1.00 0.00 C ATOM 1510 CG TYR A 93 2.715 -2.524 -2.608 1.00 0.00 C ATOM 1511 CD1 TYR A 93 2.421 -3.033 -3.869 1.00 0.00 C ATOM 1512 CD2 TYR A 93 2.283 -1.240 -2.301 1.00 0.00 C ATOM 1513 CE1 TYR A 93 1.719 -2.283 -4.793 1.00 0.00 C ATOM 1514 CE2 TYR A 93 1.580 -0.484 -3.221 1.00 0.00 C ATOM 1515 CZ TYR A 93 1.300 -1.011 -4.465 1.00 0.00 C ATOM 1516 OH TYR A 93 0.602 -0.261 -5.383 1.00 0.00 O ATOM 0 H TYR A 93 2.701 -3.481 1.186 1.00 0.00 H new ATOM 0 HA TYR A 93 1.757 -4.602 -1.362 1.00 0.00 H new ATOM 0 HB2 TYR A 93 4.031 -2.677 -0.936 1.00 0.00 H new ATOM 0 HB3 TYR A 93 4.223 -3.953 -2.122 1.00 0.00 H new ATOM 0 HD1 TYR A 93 2.746 -4.029 -4.130 1.00 0.00 H new ATOM 0 HD2 TYR A 93 2.500 -0.825 -1.328 1.00 0.00 H new ATOM 0 HE1 TYR A 93 1.499 -2.691 -5.768 1.00 0.00 H new ATOM 0 HE2 TYR A 93 1.252 0.513 -2.967 1.00 0.00 H new ATOM 0 HH TYR A 93 0.381 0.610 -4.993 1.00 0.00 H new ATOM 1526 N ALA A 94 3.078 -6.635 -0.897 1.00 0.00 N ATOM 1527 CA ALA A 94 3.752 -7.884 -0.562 1.00 0.00 C ATOM 1528 C ALA A 94 5.059 -8.036 -1.336 1.00 0.00 C ATOM 1529 O ALA A 94 5.052 -8.238 -2.550 1.00 0.00 O ATOM 1530 CB ALA A 94 2.834 -9.063 -0.841 1.00 0.00 C ATOM 0 H ALA A 94 2.358 -6.726 -1.614 1.00 0.00 H new ATOM 0 HA ALA A 94 3.994 -7.862 0.500 1.00 0.00 H new ATOM 0 HB1 ALA A 94 3.346 -9.991 -0.588 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.930 -8.971 -0.238 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.566 -9.073 -1.897 1.00 0.00 H new ATOM 1536 N ASP A 95 6.180 -7.940 -0.625 1.00 0.00 N ATOM 1537 CA ASP A 95 7.493 -8.070 -1.248 1.00 0.00 C ATOM 1538 C ASP A 95 7.698 -6.989 -2.302 1.00 0.00 C ATOM 1539 O ASP A 95 8.544 -7.120 -3.187 1.00 0.00 O ATOM 1540 CB ASP A 95 7.651 -9.454 -1.881 1.00 0.00 C ATOM 1541 CG ASP A 95 9.067 -9.984 -1.761 1.00 0.00 C ATOM 1542 OD1 ASP A 95 9.959 -9.456 -2.455 1.00 0.00 O ATOM 1543 OD2 ASP A 95 9.282 -10.928 -0.970 1.00 0.00 O ATOM 0 H ASP A 95 6.205 -7.773 0.381 1.00 0.00 H new ATOM 0 HA ASP A 95 8.250 -7.949 -0.473 1.00 0.00 H new ATOM 0 HB2 ASP A 95 6.963 -10.151 -1.402 1.00 0.00 H new ATOM 0 HB3 ASP A 95 7.372 -9.404 -2.934 1.00 0.00 H new ATOM 1548 N GLY A 96 6.916 -5.921 -2.198 1.00 0.00 N ATOM 1549 CA GLY A 96 7.021 -4.828 -3.147 1.00 0.00 C ATOM 1550 C GLY A 96 6.638 -5.242 -4.554 1.00 0.00 C ATOM 1551 O GLY A 96 7.217 -6.172 -5.115 1.00 0.00 O ATOM 0 H GLY A 96 6.210 -5.792 -1.473 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.378 -4.009 -2.825 1.00 0.00 H new ATOM 0 HA3 GLY A 96 8.043 -4.449 -3.149 1.00 0.00 H new ATOM 1555 N LYS A 97 5.657 -4.550 -5.126 1.00 0.00 N ATOM 1556 CA LYS A 97 5.196 -4.852 -6.476 1.00 0.00 C ATOM 1557 C LYS A 97 5.918 -3.985 -7.503 1.00 0.00 C ATOM 1558 O LYS A 97 5.657 -2.785 -7.610 1.00 0.00 O ATOM 1559 CB LYS A 97 3.684 -4.635 -6.581 1.00 0.00 C ATOM 1560 CG LYS A 97 3.075 -5.200 -7.854 1.00 0.00 C ATOM 1561 CD LYS A 97 2.431 -6.555 -7.611 1.00 0.00 C ATOM 1562 CE LYS A 97 1.776 -7.094 -8.873 1.00 0.00 C ATOM 1563 NZ LYS A 97 0.311 -6.830 -8.893 1.00 0.00 N ATOM 0 H LYS A 97 5.167 -3.777 -4.676 1.00 0.00 H new ATOM 0 HA LYS A 97 5.422 -5.897 -6.686 1.00 0.00 H new ATOM 0 HB2 LYS A 97 3.199 -5.096 -5.721 1.00 0.00 H new ATOM 0 HB3 LYS A 97 3.474 -3.567 -6.531 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.329 -4.506 -8.241 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.848 -5.295 -8.617 1.00 0.00 H new ATOM 0 HD2 LYS A 97 3.185 -7.260 -7.261 1.00 0.00 H new ATOM 0 HD3 LYS A 97 1.685 -6.468 -6.821 1.00 0.00 H new ATOM 0 HE2 LYS A 97 2.240 -6.636 -9.747 1.00 0.00 H new ATOM 0 HE3 LYS A 97 1.953 -8.167 -8.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.099 -7.213 -9.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.136 -7.288 -8.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 0.142 -5.805 -8.851 1.00 0.00 H new ATOM 1577 N MET A 98 6.826 -4.597 -8.255 1.00 0.00 N ATOM 1578 CA MET A 98 7.587 -3.879 -9.272 1.00 0.00 C ATOM 1579 C MET A 98 6.775 -3.723 -10.553 1.00 0.00 C ATOM 1580 O MET A 98 5.943 -4.570 -10.881 1.00 0.00 O ATOM 1581 CB MET A 98 8.898 -4.609 -9.571 1.00 0.00 C ATOM 1582 CG MET A 98 8.701 -5.996 -10.162 1.00 0.00 C ATOM 1583 SD MET A 98 9.236 -6.103 -11.882 1.00 0.00 S ATOM 1584 CE MET A 98 8.299 -7.524 -12.442 1.00 0.00 C ATOM 0 H MET A 98 7.053 -5.588 -8.180 1.00 0.00 H new ATOM 0 HA MET A 98 7.813 -2.886 -8.884 1.00 0.00 H new ATOM 0 HB2 MET A 98 9.489 -4.009 -10.263 1.00 0.00 H new ATOM 0 HB3 MET A 98 9.475 -4.694 -8.650 1.00 0.00 H new ATOM 0 HG2 MET A 98 9.256 -6.722 -9.567 1.00 0.00 H new ATOM 0 HG3 MET A 98 7.648 -6.268 -10.096 1.00 0.00 H new ATOM 0 HE1 MET A 98 8.523 -7.717 -13.491 1.00 0.00 H new ATOM 0 HE2 MET A 98 8.570 -8.396 -11.847 1.00 0.00 H new ATOM 0 HE3 MET A 98 7.233 -7.325 -12.329 1.00 0.00 H new ATOM 1594 N VAL A 99 7.021 -2.635 -11.276 1.00 0.00 N ATOM 1595 CA VAL A 99 6.310 -2.369 -12.521 1.00 0.00 C ATOM 1596 C VAL A 99 7.234 -1.729 -13.556 1.00 0.00 C ATOM 1597 O VAL A 99 7.093 -0.552 -13.889 1.00 0.00 O ATOM 1598 CB VAL A 99 5.098 -1.448 -12.289 1.00 0.00 C ATOM 1599 CG1 VAL A 99 4.028 -2.167 -11.484 1.00 0.00 C ATOM 1600 CG2 VAL A 99 5.527 -0.165 -11.594 1.00 0.00 C ATOM 0 H VAL A 99 7.707 -1.924 -11.021 1.00 0.00 H new ATOM 0 HA VAL A 99 5.959 -3.330 -12.898 1.00 0.00 H new ATOM 0 HB VAL A 99 4.675 -1.184 -13.258 1.00 0.00 H new ATOM 0 HG11 VAL A 99 3.179 -1.501 -11.330 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.699 -3.054 -12.026 1.00 0.00 H new ATOM 0 HG13 VAL A 99 4.437 -2.463 -10.518 1.00 0.00 H new ATOM 0 HG21 VAL A 99 4.657 0.473 -11.439 1.00 0.00 H new ATOM 0 HG22 VAL A 99 5.977 -0.406 -10.631 1.00 0.00 H new ATOM 0 HG23 VAL A 99 6.255 0.359 -12.214 1.00 0.00 H new ATOM 1610 N ASN A 100 8.178 -2.515 -14.061 1.00 0.00 N ATOM 1611 CA ASN A 100 9.124 -2.028 -15.059 1.00 0.00 C ATOM 1612 C ASN A 100 8.698 -2.447 -16.463 1.00 0.00 C ATOM 1613 O ASN A 100 7.890 -3.362 -16.631 1.00 0.00 O ATOM 1614 CB ASN A 100 10.530 -2.556 -14.759 1.00 0.00 C ATOM 1615 CG ASN A 100 11.571 -1.453 -14.757 1.00 0.00 C ATOM 1616 OD1 ASN A 100 11.424 -0.444 -15.444 1.00 0.00 O ATOM 1617 ND2 ASN A 100 12.633 -1.644 -13.982 1.00 0.00 N ATOM 0 H ASN A 100 8.309 -3.491 -13.796 1.00 0.00 H new ATOM 0 HA ASN A 100 9.135 -0.939 -15.013 1.00 0.00 H new ATOM 0 HB2 ASN A 100 10.529 -3.054 -13.789 1.00 0.00 H new ATOM 0 HB3 ASN A 100 10.800 -3.306 -15.502 1.00 0.00 H new ATOM 0 HD21 ASN A 100 13.368 -0.938 -13.940 1.00 0.00 H new ATOM 0 HD22 ASN A 100 12.714 -2.497 -13.428 1.00 0.00 H new ATOM 1624 N GLU A 101 9.243 -1.770 -17.469 1.00 0.00 N ATOM 1625 CA GLU A 101 8.918 -2.072 -18.858 1.00 0.00 C ATOM 1626 C GLU A 101 10.185 -2.260 -19.686 1.00 0.00 C ATOM 1627 O GLU A 101 10.208 -1.965 -20.881 1.00 0.00 O ATOM 1628 CB GLU A 101 8.064 -0.953 -19.458 1.00 0.00 C ATOM 1629 CG GLU A 101 6.569 -1.188 -19.320 1.00 0.00 C ATOM 1630 CD GLU A 101 5.744 -0.090 -19.961 1.00 0.00 C ATOM 1631 OE1 GLU A 101 5.967 0.201 -21.155 1.00 0.00 O ATOM 1632 OE2 GLU A 101 4.872 0.479 -19.269 1.00 0.00 O ATOM 0 H GLU A 101 9.911 -1.009 -17.348 1.00 0.00 H new ATOM 0 HA GLU A 101 8.352 -3.003 -18.878 1.00 0.00 H new ATOM 0 HB2 GLU A 101 8.322 -0.011 -18.973 1.00 0.00 H new ATOM 0 HB3 GLU A 101 8.311 -0.846 -20.514 1.00 0.00 H new ATOM 0 HG2 GLU A 101 6.312 -2.144 -19.776 1.00 0.00 H new ATOM 0 HG3 GLU A 101 6.312 -1.260 -18.263 1.00 0.00 H new ATOM 1639 N ALA A 102 11.238 -2.753 -19.042 1.00 0.00 N ATOM 1640 CA ALA A 102 12.508 -2.982 -19.720 1.00 0.00 C ATOM 1641 C ALA A 102 12.973 -4.423 -19.545 1.00 0.00 C ATOM 1642 O ALA A 102 13.784 -4.723 -18.668 1.00 0.00 O ATOM 1643 CB ALA A 102 13.563 -2.013 -19.201 1.00 0.00 C ATOM 0 H ALA A 102 11.237 -3.001 -18.053 1.00 0.00 H new ATOM 0 HA ALA A 102 12.362 -2.806 -20.786 1.00 0.00 H new ATOM 0 HB1 ALA A 102 14.507 -2.194 -19.715 1.00 0.00 H new ATOM 0 HB2 ALA A 102 13.239 -0.989 -19.387 1.00 0.00 H new ATOM 0 HB3 ALA A 102 13.699 -2.162 -18.130 1.00 0.00 H new ATOM 1649 N LEU A 103 12.455 -5.313 -20.386 1.00 0.00 N ATOM 1650 CA LEU A 103 12.819 -6.725 -20.324 1.00 0.00 C ATOM 1651 C LEU A 103 13.805 -7.081 -21.430 1.00 0.00 C ATOM 1652 O LEU A 103 13.545 -6.838 -22.608 1.00 0.00 O ATOM 1653 CB LEU A 103 11.571 -7.601 -20.435 1.00 0.00 C ATOM 1654 CG LEU A 103 10.583 -7.474 -19.275 1.00 0.00 C ATOM 1655 CD1 LEU A 103 9.746 -6.213 -19.424 1.00 0.00 C ATOM 1656 CD2 LEU A 103 9.692 -8.703 -19.196 1.00 0.00 C ATOM 0 H LEU A 103 11.783 -5.082 -21.118 1.00 0.00 H new ATOM 0 HA LEU A 103 13.298 -6.909 -19.362 1.00 0.00 H new ATOM 0 HB2 LEU A 103 11.053 -7.353 -21.361 1.00 0.00 H new ATOM 0 HB3 LEU A 103 11.883 -8.642 -20.513 1.00 0.00 H new ATOM 0 HG LEU A 103 11.149 -7.402 -18.346 1.00 0.00 H new ATOM 0 HD11 LEU A 103 9.048 -6.139 -18.590 1.00 0.00 H new ATOM 0 HD12 LEU A 103 10.400 -5.341 -19.429 1.00 0.00 H new ATOM 0 HD13 LEU A 103 9.189 -6.254 -20.360 1.00 0.00 H new ATOM 0 HD21 LEU A 103 8.995 -8.595 -18.365 1.00 0.00 H new ATOM 0 HD22 LEU A 103 9.133 -8.808 -20.126 1.00 0.00 H new ATOM 0 HD23 LEU A 103 10.307 -9.589 -19.041 1.00 0.00 H new ATOM 1668 N VAL A 104 14.936 -7.661 -21.042 1.00 0.00 N ATOM 1669 CA VAL A 104 15.961 -8.053 -22.002 1.00 0.00 C ATOM 1670 C VAL A 104 15.616 -9.385 -22.660 1.00 0.00 C ATOM 1671 O VAL A 104 15.391 -10.384 -21.978 1.00 0.00 O ATOM 1672 CB VAL A 104 17.343 -8.165 -21.331 1.00 0.00 C ATOM 1673 CG1 VAL A 104 17.789 -6.812 -20.797 1.00 0.00 C ATOM 1674 CG2 VAL A 104 17.317 -9.204 -20.218 1.00 0.00 C ATOM 0 H VAL A 104 15.166 -7.870 -20.070 1.00 0.00 H new ATOM 0 HA VAL A 104 15.998 -7.274 -22.764 1.00 0.00 H new ATOM 0 HB VAL A 104 18.064 -8.490 -22.081 1.00 0.00 H new ATOM 0 HG11 VAL A 104 18.767 -6.911 -20.327 1.00 0.00 H new ATOM 0 HG12 VAL A 104 17.852 -6.099 -21.619 1.00 0.00 H new ATOM 0 HG13 VAL A 104 17.067 -6.455 -20.062 1.00 0.00 H new ATOM 0 HG21 VAL A 104 18.303 -9.268 -19.757 1.00 0.00 H new ATOM 0 HG22 VAL A 104 16.583 -8.914 -19.466 1.00 0.00 H new ATOM 0 HG23 VAL A 104 17.047 -10.175 -20.633 1.00 0.00 H new ATOM 1684 N ARG A 105 15.575 -9.390 -23.989 1.00 0.00 N ATOM 1685 CA ARG A 105 15.257 -10.601 -24.737 1.00 0.00 C ATOM 1686 C ARG A 105 16.152 -10.737 -25.966 1.00 0.00 C ATOM 1687 O ARG A 105 15.783 -11.386 -26.944 1.00 0.00 O ATOM 1688 CB ARG A 105 13.786 -10.592 -25.156 1.00 0.00 C ATOM 1689 CG ARG A 105 13.011 -11.814 -24.686 1.00 0.00 C ATOM 1690 CD ARG A 105 11.578 -11.461 -24.325 1.00 0.00 C ATOM 1691 NE ARG A 105 10.754 -11.236 -25.511 1.00 0.00 N ATOM 1692 CZ ARG A 105 10.235 -12.215 -26.248 1.00 0.00 C ATOM 1693 NH1 ARG A 105 10.453 -13.485 -25.929 1.00 0.00 N ATOM 1694 NH2 ARG A 105 9.495 -11.923 -27.310 1.00 0.00 N ATOM 0 H ARG A 105 15.758 -8.571 -24.569 1.00 0.00 H new ATOM 0 HA ARG A 105 15.437 -11.458 -24.088 1.00 0.00 H new ATOM 0 HB2 ARG A 105 13.310 -9.695 -24.760 1.00 0.00 H new ATOM 0 HB3 ARG A 105 13.727 -10.530 -26.243 1.00 0.00 H new ATOM 0 HG2 ARG A 105 13.014 -12.571 -25.470 1.00 0.00 H new ATOM 0 HG3 ARG A 105 13.508 -12.250 -23.820 1.00 0.00 H new ATOM 0 HD2 ARG A 105 11.145 -12.265 -23.730 1.00 0.00 H new ATOM 0 HD3 ARG A 105 11.571 -10.566 -23.703 1.00 0.00 H new ATOM 0 HE ARG A 105 10.566 -10.273 -25.790 1.00 0.00 H new ATOM 0 HH11 ARG A 105 11.022 -13.716 -25.114 1.00 0.00 H new ATOM 0 HH12 ARG A 105 10.052 -14.230 -26.499 1.00 0.00 H new ATOM 0 HH21 ARG A 105 9.325 -10.949 -27.561 1.00 0.00 H new ATOM 0 HH22 ARG A 105 9.097 -12.672 -27.876 1.00 0.00 H new ATOM 1708 N GLN A 106 17.329 -10.120 -25.911 1.00 0.00 N ATOM 1709 CA GLN A 106 18.274 -10.175 -27.022 1.00 0.00 C ATOM 1710 C GLN A 106 17.645 -9.633 -28.302 1.00 0.00 C ATOM 1711 O GLN A 106 16.812 -10.293 -28.924 1.00 0.00 O ATOM 1712 CB GLN A 106 18.754 -11.613 -27.239 1.00 0.00 C ATOM 1713 CG GLN A 106 20.252 -11.789 -27.041 1.00 0.00 C ATOM 1714 CD GLN A 106 20.589 -12.981 -26.165 1.00 0.00 C ATOM 1715 OE1 GLN A 106 21.266 -13.913 -26.598 1.00 0.00 O ATOM 1716 NE2 GLN A 106 20.117 -12.954 -24.923 1.00 0.00 N ATOM 0 H GLN A 106 17.651 -9.577 -25.110 1.00 0.00 H new ATOM 0 HA GLN A 106 19.130 -9.549 -26.770 1.00 0.00 H new ATOM 0 HB2 GLN A 106 18.225 -12.272 -26.551 1.00 0.00 H new ATOM 0 HB3 GLN A 106 18.490 -11.927 -28.249 1.00 0.00 H new ATOM 0 HG2 GLN A 106 20.731 -11.910 -28.012 1.00 0.00 H new ATOM 0 HG3 GLN A 106 20.664 -10.885 -26.592 1.00 0.00 H new ATOM 0 HE21 GLN A 106 19.560 -12.161 -24.606 1.00 0.00 H new ATOM 0 HE22 GLN A 106 20.312 -13.727 -24.286 1.00 0.00 H new ATOM 1725 N GLY A 107 18.049 -8.428 -28.691 1.00 0.00 N ATOM 1726 CA GLY A 107 17.514 -7.819 -29.895 1.00 0.00 C ATOM 1727 C GLY A 107 16.527 -6.708 -29.594 1.00 0.00 C ATOM 1728 O GLY A 107 16.795 -5.838 -28.764 1.00 0.00 O ATOM 0 H GLY A 107 18.737 -7.862 -28.194 1.00 0.00 H new ATOM 0 HA2 GLY A 107 18.334 -7.420 -30.492 1.00 0.00 H new ATOM 0 HA3 GLY A 107 17.023 -8.583 -30.498 1.00 0.00 H new ATOM 1732 N LEU A 108 15.384 -6.736 -30.271 1.00 0.00 N ATOM 1733 CA LEU A 108 14.354 -5.723 -30.071 1.00 0.00 C ATOM 1734 C LEU A 108 13.738 -5.840 -28.681 1.00 0.00 C ATOM 1735 O LEU A 108 12.614 -6.319 -28.527 1.00 0.00 O ATOM 1736 CB LEU A 108 13.265 -5.854 -31.139 1.00 0.00 C ATOM 1737 CG LEU A 108 12.757 -7.280 -31.372 1.00 0.00 C ATOM 1738 CD1 LEU A 108 11.236 -7.310 -31.404 1.00 0.00 C ATOM 1739 CD2 LEU A 108 13.328 -7.846 -32.664 1.00 0.00 C ATOM 0 H LEU A 108 15.148 -7.448 -30.962 1.00 0.00 H new ATOM 0 HA LEU A 108 14.822 -4.743 -30.159 1.00 0.00 H new ATOM 0 HB2 LEU A 108 12.421 -5.225 -30.855 1.00 0.00 H new ATOM 0 HB3 LEU A 108 13.651 -5.463 -32.080 1.00 0.00 H new ATOM 0 HG LEU A 108 13.095 -7.902 -30.543 1.00 0.00 H new ATOM 0 HD11 LEU A 108 10.896 -8.332 -31.571 1.00 0.00 H new ATOM 0 HD12 LEU A 108 10.845 -6.948 -30.453 1.00 0.00 H new ATOM 0 HD13 LEU A 108 10.876 -6.672 -32.211 1.00 0.00 H new ATOM 0 HD21 LEU A 108 12.956 -8.860 -32.813 1.00 0.00 H new ATOM 0 HD22 LEU A 108 13.021 -7.220 -33.502 1.00 0.00 H new ATOM 0 HD23 LEU A 108 14.416 -7.864 -32.604 1.00 0.00 H new ATOM 1751 N ALA A 109 14.481 -5.400 -27.670 1.00 0.00 N ATOM 1752 CA ALA A 109 14.009 -5.457 -26.293 1.00 0.00 C ATOM 1753 C ALA A 109 13.947 -4.062 -25.677 1.00 0.00 C ATOM 1754 O ALA A 109 14.954 -3.360 -25.604 1.00 0.00 O ATOM 1755 CB ALA A 109 14.908 -6.361 -25.464 1.00 0.00 C ATOM 0 H ALA A 109 15.413 -5.000 -27.780 1.00 0.00 H new ATOM 0 HA ALA A 109 13.001 -5.871 -26.297 1.00 0.00 H new ATOM 0 HB1 ALA A 109 14.543 -6.394 -24.437 1.00 0.00 H new ATOM 0 HB2 ALA A 109 14.900 -7.367 -25.885 1.00 0.00 H new ATOM 0 HB3 ALA A 109 15.926 -5.971 -25.475 1.00 0.00 H new ATOM 1761 N LYS A 110 12.756 -3.670 -25.237 1.00 0.00 N ATOM 1762 CA LYS A 110 12.562 -2.358 -24.626 1.00 0.00 C ATOM 1763 C LYS A 110 13.325 -2.252 -23.310 1.00 0.00 C ATOM 1764 O LYS A 110 14.226 -3.088 -23.080 1.00 0.00 O ATOM 1765 CB LYS A 110 11.071 -2.098 -24.392 1.00 0.00 C ATOM 1766 CG LYS A 110 10.480 -1.064 -25.337 1.00 0.00 C ATOM 1767 CD LYS A 110 10.434 0.314 -24.697 1.00 0.00 C ATOM 1768 CE LYS A 110 9.341 0.403 -23.645 1.00 0.00 C ATOM 1769 NZ LYS A 110 9.519 1.586 -22.758 1.00 0.00 N ATOM 1770 OXT LYS A 110 13.018 -1.336 -22.521 1.00 0.00 O ATOM 0 H LYS A 110 11.912 -4.240 -25.291 1.00 0.00 H new ATOM 0 HA LYS A 110 12.951 -1.604 -25.310 1.00 0.00 H new ATOM 0 HB2 LYS A 110 10.525 -3.035 -24.504 1.00 0.00 H new ATOM 0 HB3 LYS A 110 10.925 -1.765 -23.364 1.00 0.00 H new ATOM 0 HG2 LYS A 110 11.074 -1.023 -26.250 1.00 0.00 H new ATOM 0 HG3 LYS A 110 9.473 -1.366 -25.625 1.00 0.00 H new ATOM 0 HD2 LYS A 110 11.399 0.537 -24.241 1.00 0.00 H new ATOM 0 HD3 LYS A 110 10.263 1.068 -25.466 1.00 0.00 H new ATOM 0 HE2 LYS A 110 8.369 0.460 -24.135 1.00 0.00 H new ATOM 0 HE3 LYS A 110 9.342 -0.506 -23.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 8.753 1.611 -22.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 10.435 1.520 -22.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 9.493 2.455 -23.329 1.00 0.00 H new TER 1784 LYS A 110