USER MOD reduce.3.24.130724 H: found=0, std=0, add=912, rem=0, adj=23 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 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 93 TYR OH : rot 26:sc= -4.21 USER MOD Single : A 1 ALA N :NH3+ 167:sc= -0.0321 (180deg=-0.191) 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 180:sc= 0.0539 USER MOD Single : A 5 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.267) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.0182 X(o=-0.018,f=-0.11) USER MOD Single : A 13 THR OG1 : rot -70:sc= -0.839! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -2.14 USER MOD Single : A 24 LYS NZ :NH3+ 163:sc= -0.0106 (180deg=-0.0819) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -159:sc= 0.419 (180deg=0.239) USER MOD Single : A 30 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.0073) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 175:sc= -0.0636 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= -0.0409 X(o=-0.041,f=-0.0023) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 142:sc= 1.11 (180deg=-0.772) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 178:sc= 1.06 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 K(o=0,f=-1.3) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.173) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 82 THR OG1 : rot 180: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 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 MET CE :methyl -145:sc= -0.138 (180deg=-0.824) USER MOD Single : A 100 ASN : amide:sc= -1.47 K(o=-1.5,f=-6.8!) USER MOD Single : A 106 GLN : amide:sc= -0.195 X(o=-0.19,f=-0.18) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -1.081 14.601 -15.304 1.00 0.00 N ATOM 2 CA ALA A 1 -0.191 15.759 -15.578 1.00 0.00 C ATOM 3 C ALA A 1 0.651 16.103 -14.353 1.00 0.00 C ATOM 4 O ALA A 1 0.991 17.266 -14.128 1.00 0.00 O ATOM 5 CB ALA A 1 -1.012 16.965 -16.010 1.00 0.00 C ATOM 0 H1 ALA A 1 -1.792 14.523 -16.059 1.00 0.00 H new ATOM 0 H2 ALA A 1 -0.515 13.729 -15.269 1.00 0.00 H new ATOM 0 H3 ALA A 1 -1.560 14.739 -14.391 1.00 0.00 H new ATOM 0 HA ALA A 1 0.485 15.484 -16.388 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -0.347 17.806 -16.207 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -1.568 16.721 -16.916 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -1.710 17.233 -15.217 1.00 0.00 H new ATOM 13 N THR A 2 0.984 15.086 -13.566 1.00 0.00 N ATOM 14 CA THR A 2 1.788 15.281 -12.364 1.00 0.00 C ATOM 15 C THR A 2 2.954 14.298 -12.325 1.00 0.00 C ATOM 16 O THR A 2 2.764 13.104 -12.099 1.00 0.00 O ATOM 17 CB THR A 2 0.922 15.115 -11.113 1.00 0.00 C ATOM 18 OG1 THR A 2 -0.189 14.278 -11.380 1.00 0.00 O ATOM 19 CG2 THR A 2 0.392 16.426 -10.575 1.00 0.00 C ATOM 0 H THR A 2 0.710 14.119 -13.738 1.00 0.00 H new ATOM 0 HA THR A 2 2.191 16.294 -12.386 1.00 0.00 H new ATOM 0 HB THR A 2 1.578 14.672 -10.363 1.00 0.00 H new ATOM 0 HG1 THR A 2 -0.729 14.183 -10.568 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.214 16.237 -9.689 1.00 0.00 H new ATOM 0 HG22 THR A 2 1.227 17.076 -10.313 1.00 0.00 H new ATOM 0 HG23 THR A 2 -0.220 16.911 -11.336 1.00 0.00 H new ATOM 27 N SER A 3 4.159 14.810 -12.546 1.00 0.00 N ATOM 28 CA SER A 3 5.356 13.978 -12.537 1.00 0.00 C ATOM 29 C SER A 3 5.746 13.601 -11.110 1.00 0.00 C ATOM 30 O SER A 3 6.193 14.446 -10.336 1.00 0.00 O ATOM 31 CB SER A 3 6.514 14.707 -13.219 1.00 0.00 C ATOM 32 OG SER A 3 7.313 13.808 -13.970 1.00 0.00 O ATOM 0 H SER A 3 4.333 15.797 -12.734 1.00 0.00 H new ATOM 0 HA SER A 3 5.137 13.063 -13.088 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.122 15.485 -13.875 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.128 15.203 -12.468 1.00 0.00 H new ATOM 0 HG SER A 3 8.045 14.300 -14.397 1.00 0.00 H new ATOM 38 N THR A 4 5.571 12.329 -10.771 1.00 0.00 N ATOM 39 CA THR A 4 5.905 11.840 -9.438 1.00 0.00 C ATOM 40 C THR A 4 7.259 11.139 -9.440 1.00 0.00 C ATOM 41 O THR A 4 7.474 10.186 -10.187 1.00 0.00 O ATOM 42 CB THR A 4 4.821 10.885 -8.933 1.00 0.00 C ATOM 43 OG1 THR A 4 4.159 10.260 -10.018 1.00 0.00 O ATOM 44 CG2 THR A 4 3.771 11.568 -8.085 1.00 0.00 C ATOM 0 H THR A 4 5.200 11.617 -11.400 1.00 0.00 H new ATOM 0 HA THR A 4 5.961 12.698 -8.768 1.00 0.00 H new ATOM 0 HB THR A 4 5.343 10.154 -8.316 1.00 0.00 H new ATOM 0 HG1 THR A 4 3.471 9.652 -9.675 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.033 10.835 -7.760 1.00 0.00 H new ATOM 0 HG22 THR A 4 4.244 12.018 -7.212 1.00 0.00 H new ATOM 0 HG23 THR A 4 3.278 12.344 -8.671 1.00 0.00 H new ATOM 52 N LYS A 5 8.168 11.619 -8.599 1.00 0.00 N ATOM 53 CA LYS A 5 9.502 11.038 -8.501 1.00 0.00 C ATOM 54 C LYS A 5 9.429 9.567 -8.105 1.00 0.00 C ATOM 55 O LYS A 5 8.508 9.148 -7.404 1.00 0.00 O ATOM 56 CB LYS A 5 10.345 11.812 -7.487 1.00 0.00 C ATOM 57 CG LYS A 5 9.819 11.721 -6.063 1.00 0.00 C ATOM 58 CD LYS A 5 8.852 12.853 -5.752 1.00 0.00 C ATOM 59 CE LYS A 5 8.850 13.192 -4.271 1.00 0.00 C ATOM 60 NZ LYS A 5 8.779 11.970 -3.422 1.00 0.00 N ATOM 0 H LYS A 5 8.006 12.409 -7.975 1.00 0.00 H new ATOM 0 HA LYS A 5 9.973 11.107 -9.481 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.367 11.434 -7.513 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.385 12.860 -7.785 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.318 10.764 -5.920 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.654 11.752 -5.363 1.00 0.00 H new ATOM 0 HD2 LYS A 5 9.127 13.736 -6.328 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.846 12.570 -6.063 1.00 0.00 H new ATOM 0 HE2 LYS A 5 9.752 13.753 -4.026 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.002 13.839 -4.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.509 12.235 -2.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.070 11.317 -3.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 9.708 11.503 -3.407 1.00 0.00 H new ATOM 74 N LYS A 6 10.405 8.788 -8.558 1.00 0.00 N ATOM 75 CA LYS A 6 10.453 7.364 -8.249 1.00 0.00 C ATOM 76 C LYS A 6 10.851 7.136 -6.794 1.00 0.00 C ATOM 77 O LYS A 6 11.945 7.513 -6.374 1.00 0.00 O ATOM 78 CB LYS A 6 11.437 6.651 -9.177 1.00 0.00 C ATOM 79 CG LYS A 6 11.251 7.004 -10.644 1.00 0.00 C ATOM 80 CD LYS A 6 9.890 6.561 -11.154 1.00 0.00 C ATOM 81 CE LYS A 6 9.907 5.109 -11.607 1.00 0.00 C ATOM 82 NZ LYS A 6 9.253 4.932 -12.933 1.00 0.00 N ATOM 0 H LYS A 6 11.174 9.119 -9.141 1.00 0.00 H new ATOM 0 HA LYS A 6 9.456 6.951 -8.403 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.454 6.902 -8.877 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.325 5.574 -9.054 1.00 0.00 H new ATOM 0 HG2 LYS A 6 11.358 8.081 -10.777 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.034 6.530 -11.236 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.147 6.688 -10.367 1.00 0.00 H new ATOM 0 HD3 LYS A 6 9.587 7.198 -11.985 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.937 4.758 -11.661 1.00 0.00 H new ATOM 0 HE3 LYS A 6 9.398 4.492 -10.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.286 3.929 -13.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.262 5.243 -12.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 9.754 5.501 -13.646 1.00 0.00 H new ATOM 96 N LEU A 7 9.955 6.519 -6.031 1.00 0.00 N ATOM 97 CA LEU A 7 10.212 6.241 -4.623 1.00 0.00 C ATOM 98 C LEU A 7 11.188 5.079 -4.467 1.00 0.00 C ATOM 99 O LEU A 7 11.328 4.248 -5.364 1.00 0.00 O ATOM 100 CB LEU A 7 8.901 5.930 -3.896 1.00 0.00 C ATOM 101 CG LEU A 7 8.495 6.946 -2.829 1.00 0.00 C ATOM 102 CD1 LEU A 7 9.564 7.044 -1.750 1.00 0.00 C ATOM 103 CD2 LEU A 7 8.246 8.308 -3.459 1.00 0.00 C ATOM 0 H LEU A 7 9.045 6.202 -6.364 1.00 0.00 H new ATOM 0 HA LEU A 7 10.662 7.128 -4.178 1.00 0.00 H new ATOM 0 HB2 LEU A 7 8.102 5.862 -4.634 1.00 0.00 H new ATOM 0 HB3 LEU A 7 8.987 4.949 -3.428 1.00 0.00 H new ATOM 0 HG LEU A 7 7.569 6.606 -2.365 1.00 0.00 H new ATOM 0 HD11 LEU A 7 9.257 7.772 -0.999 1.00 0.00 H new ATOM 0 HD12 LEU A 7 9.695 6.070 -1.279 1.00 0.00 H new ATOM 0 HD13 LEU A 7 10.506 7.360 -2.199 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.958 9.020 -2.685 1.00 0.00 H new ATOM 0 HD22 LEU A 7 9.156 8.654 -3.949 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.446 8.228 -4.194 1.00 0.00 H new ATOM 115 N HIS A 8 11.858 5.026 -3.320 1.00 0.00 N ATOM 116 CA HIS A 8 12.819 3.966 -3.043 1.00 0.00 C ATOM 117 C HIS A 8 12.132 2.770 -2.389 1.00 0.00 C ATOM 118 O HIS A 8 11.229 2.934 -1.569 1.00 0.00 O ATOM 119 CB HIS A 8 13.940 4.487 -2.142 1.00 0.00 C ATOM 120 CG HIS A 8 15.311 4.256 -2.698 1.00 0.00 C ATOM 121 ND1 HIS A 8 15.695 4.683 -3.952 1.00 0.00 N ATOM 122 CD2 HIS A 8 16.392 3.640 -2.164 1.00 0.00 C ATOM 123 CE1 HIS A 8 16.954 4.338 -4.166 1.00 0.00 C ATOM 124 NE2 HIS A 8 17.398 3.706 -3.096 1.00 0.00 N ATOM 0 H HIS A 8 11.752 5.706 -2.567 1.00 0.00 H new ATOM 0 HA HIS A 8 13.250 3.641 -3.990 1.00 0.00 H new ATOM 0 HB2 HIS A 8 13.798 5.555 -1.980 1.00 0.00 H new ATOM 0 HB3 HIS A 8 13.866 4.004 -1.168 1.00 0.00 H new ATOM 0 HD2 HIS A 8 16.452 3.182 -1.188 1.00 0.00 H new ATOM 0 HE1 HIS A 8 17.521 4.539 -5.063 1.00 0.00 H new ATOM 0 HE2 HIS A 8 18.338 3.327 -2.980 1.00 0.00 H new ATOM 133 N LYS A 9 12.564 1.571 -2.761 1.00 0.00 N ATOM 134 CA LYS A 9 11.987 0.349 -2.211 1.00 0.00 C ATOM 135 C LYS A 9 12.626 -0.003 -0.872 1.00 0.00 C ATOM 136 O LYS A 9 13.779 -0.431 -0.815 1.00 0.00 O ATOM 137 CB LYS A 9 12.163 -0.810 -3.195 1.00 0.00 C ATOM 138 CG LYS A 9 11.507 -0.567 -4.543 1.00 0.00 C ATOM 139 CD LYS A 9 9.992 -0.555 -4.432 1.00 0.00 C ATOM 140 CE LYS A 9 9.401 -1.924 -4.728 1.00 0.00 C ATOM 141 NZ LYS A 9 8.173 -2.184 -3.927 1.00 0.00 N ATOM 0 H LYS A 9 13.310 1.418 -3.440 1.00 0.00 H new ATOM 0 HA LYS A 9 10.923 0.521 -2.049 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.228 -0.990 -3.345 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.746 -1.716 -2.755 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.850 0.384 -4.949 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.815 -1.343 -5.244 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.702 -0.241 -3.429 1.00 0.00 H new ATOM 0 HD3 LYS A 9 9.581 0.178 -5.126 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.164 -1.995 -5.789 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.143 -2.693 -4.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.801 -3.127 -4.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.404 -2.142 -2.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 7.455 -1.465 -4.149 1.00 0.00 H new ATOM 155 N GLU A 10 11.866 0.179 0.205 1.00 0.00 N ATOM 156 CA GLU A 10 12.355 -0.123 1.546 1.00 0.00 C ATOM 157 C GLU A 10 11.257 -0.771 2.388 1.00 0.00 C ATOM 158 O GLU A 10 10.118 -0.302 2.399 1.00 0.00 O ATOM 159 CB GLU A 10 12.854 1.151 2.229 1.00 0.00 C ATOM 160 CG GLU A 10 14.072 0.934 3.111 1.00 0.00 C ATOM 161 CD GLU A 10 15.090 2.048 2.985 1.00 0.00 C ATOM 162 OE1 GLU A 10 14.699 3.228 3.115 1.00 0.00 O ATOM 163 OE2 GLU A 10 16.280 1.744 2.757 1.00 0.00 O ATOM 0 H GLU A 10 10.910 0.534 0.175 1.00 0.00 H new ATOM 0 HA GLU A 10 13.184 -0.825 1.456 1.00 0.00 H new ATOM 0 HB2 GLU A 10 13.096 1.891 1.466 1.00 0.00 H new ATOM 0 HB3 GLU A 10 12.048 1.568 2.833 1.00 0.00 H new ATOM 0 HG2 GLU A 10 13.753 0.854 4.150 1.00 0.00 H new ATOM 0 HG3 GLU A 10 14.542 -0.014 2.848 1.00 0.00 H new ATOM 170 N PRO A 11 11.579 -1.864 3.103 1.00 0.00 N ATOM 171 CA PRO A 11 10.607 -2.569 3.940 1.00 0.00 C ATOM 172 C PRO A 11 10.379 -1.880 5.283 1.00 0.00 C ATOM 173 O PRO A 11 11.272 -1.836 6.127 1.00 0.00 O ATOM 174 CB PRO A 11 11.259 -3.933 4.143 1.00 0.00 C ATOM 175 CG PRO A 11 12.722 -3.657 4.103 1.00 0.00 C ATOM 176 CD PRO A 11 12.910 -2.503 3.150 1.00 0.00 C ATOM 0 HA PRO A 11 9.620 -2.610 3.478 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.965 -4.376 5.094 1.00 0.00 H new ATOM 0 HB3 PRO A 11 10.966 -4.633 3.361 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.098 -3.407 5.095 1.00 0.00 H new ATOM 0 HG3 PRO A 11 13.274 -4.534 3.765 1.00 0.00 H new ATOM 0 HD2 PRO A 11 13.674 -1.811 3.505 1.00 0.00 H new ATOM 0 HD3 PRO A 11 13.224 -2.846 2.164 1.00 0.00 H new ATOM 184 N ALA A 12 9.177 -1.345 5.472 1.00 0.00 N ATOM 185 CA ALA A 12 8.830 -0.658 6.712 1.00 0.00 C ATOM 186 C ALA A 12 7.323 -0.444 6.816 1.00 0.00 C ATOM 187 O ALA A 12 6.766 0.429 6.152 1.00 0.00 O ATOM 188 CB ALA A 12 9.564 0.671 6.800 1.00 0.00 C ATOM 0 H ALA A 12 8.426 -1.374 4.782 1.00 0.00 H new ATOM 0 HA ALA A 12 9.139 -1.286 7.548 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.296 1.174 7.730 1.00 0.00 H new ATOM 0 HB2 ALA A 12 10.639 0.495 6.779 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.283 1.299 5.954 1.00 0.00 H new ATOM 194 N THR A 13 6.670 -1.246 7.658 1.00 0.00 N ATOM 195 CA THR A 13 5.224 -1.146 7.857 1.00 0.00 C ATOM 196 C THR A 13 4.732 -2.071 8.972 1.00 0.00 C ATOM 197 O THR A 13 3.525 -2.227 9.154 1.00 0.00 O ATOM 198 CB THR A 13 4.463 -1.462 6.561 1.00 0.00 C ATOM 199 OG1 THR A 13 5.323 -1.425 5.435 1.00 0.00 O ATOM 200 CG2 THR A 13 3.315 -0.512 6.296 1.00 0.00 C ATOM 0 H THR A 13 7.121 -1.973 8.214 1.00 0.00 H new ATOM 0 HA THR A 13 5.023 -0.116 8.151 1.00 0.00 H new ATOM 0 HB THR A 13 4.062 -2.465 6.708 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.591 -0.499 5.258 1.00 0.00 H new ATOM 0 HG21 THR A 13 2.820 -0.791 5.366 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.601 -0.566 7.118 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.697 0.506 6.213 1.00 0.00 H new ATOM 208 N LEU A 14 5.650 -2.683 9.721 1.00 0.00 N ATOM 209 CA LEU A 14 5.253 -3.578 10.801 1.00 0.00 C ATOM 210 C LEU A 14 5.300 -2.871 12.155 1.00 0.00 C ATOM 211 O LEU A 14 6.282 -2.978 12.888 1.00 0.00 O ATOM 212 CB LEU A 14 6.158 -4.811 10.827 1.00 0.00 C ATOM 213 CG LEU A 14 5.564 -6.036 11.525 1.00 0.00 C ATOM 214 CD1 LEU A 14 4.468 -6.656 10.674 1.00 0.00 C ATOM 215 CD2 LEU A 14 6.653 -7.057 11.820 1.00 0.00 C ATOM 0 H LEU A 14 6.657 -2.576 9.601 1.00 0.00 H new ATOM 0 HA LEU A 14 4.225 -3.889 10.615 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.407 -5.082 9.801 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.092 -4.547 11.323 1.00 0.00 H new ATOM 0 HG LEU A 14 5.124 -5.716 12.470 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.057 -7.526 11.187 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.677 -5.924 10.510 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.883 -6.963 9.714 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.215 -7.923 12.317 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.119 -7.372 10.886 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.406 -6.609 12.469 1.00 0.00 H new ATOM 227 N ILE A 15 4.217 -2.179 12.487 1.00 0.00 N ATOM 228 CA ILE A 15 4.106 -1.483 13.763 1.00 0.00 C ATOM 229 C ILE A 15 2.826 -1.904 14.474 1.00 0.00 C ATOM 230 O ILE A 15 2.859 -2.593 15.494 1.00 0.00 O ATOM 231 CB ILE A 15 4.119 0.048 13.586 1.00 0.00 C ATOM 232 CG1 ILE A 15 5.338 0.475 12.764 1.00 0.00 C ATOM 233 CG2 ILE A 15 4.120 0.737 14.943 1.00 0.00 C ATOM 234 CD1 ILE A 15 5.461 1.975 12.591 1.00 0.00 C ATOM 0 H ILE A 15 3.398 -2.085 11.886 1.00 0.00 H new ATOM 0 HA ILE A 15 4.973 -1.758 14.364 1.00 0.00 H new ATOM 0 HB ILE A 15 3.218 0.347 13.050 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.240 0.099 13.246 1.00 0.00 H new ATOM 0 HG13 ILE A 15 5.284 0.008 11.781 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.129 1.818 14.802 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.226 0.451 15.497 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.006 0.436 15.503 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.347 2.201 11.998 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.576 2.356 12.081 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.548 2.448 13.569 1.00 0.00 H new ATOM 246 N LYS A 16 1.698 -1.498 13.901 1.00 0.00 N ATOM 247 CA LYS A 16 0.386 -1.835 14.436 1.00 0.00 C ATOM 248 C LYS A 16 -0.493 -2.372 13.313 1.00 0.00 C ATOM 249 O LYS A 16 -0.689 -1.705 12.297 1.00 0.00 O ATOM 250 CB LYS A 16 -0.266 -0.609 15.080 1.00 0.00 C ATOM 251 CG LYS A 16 -1.488 -0.939 15.921 1.00 0.00 C ATOM 252 CD LYS A 16 -1.163 -0.934 17.406 1.00 0.00 C ATOM 253 CE LYS A 16 -2.411 -1.132 18.250 1.00 0.00 C ATOM 254 NZ LYS A 16 -2.153 -2.003 19.430 1.00 0.00 N ATOM 0 H LYS A 16 1.668 -0.928 13.056 1.00 0.00 H new ATOM 0 HA LYS A 16 0.501 -2.599 15.204 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.470 -0.104 15.706 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.553 0.092 14.297 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.277 -0.214 15.718 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.873 -1.918 15.636 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.445 -1.724 17.625 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.688 0.010 17.672 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.778 -0.163 18.588 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.197 -1.574 17.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.030 -2.113 19.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.827 -2.937 19.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.422 -1.569 20.029 1.00 0.00 H new ATOM 268 N ALA A 17 -1.001 -3.585 13.486 1.00 0.00 N ATOM 269 CA ALA A 17 -1.832 -4.208 12.466 1.00 0.00 C ATOM 270 C ALA A 17 -3.246 -3.642 12.457 1.00 0.00 C ATOM 271 O ALA A 17 -3.967 -3.718 13.451 1.00 0.00 O ATOM 272 CB ALA A 17 -1.865 -5.716 12.661 1.00 0.00 C ATOM 0 H ALA A 17 -0.853 -4.154 14.319 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.386 -3.982 11.498 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.490 -6.169 11.891 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.853 -6.115 12.588 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.276 -5.947 13.644 1.00 0.00 H new ATOM 278 N ILE A 18 -3.635 -3.086 11.312 1.00 0.00 N ATOM 279 CA ILE A 18 -4.964 -2.512 11.138 1.00 0.00 C ATOM 280 C ILE A 18 -5.430 -2.689 9.697 1.00 0.00 C ATOM 281 O ILE A 18 -4.617 -2.873 8.792 1.00 0.00 O ATOM 282 CB ILE A 18 -4.986 -1.011 11.490 1.00 0.00 C ATOM 283 CG1 ILE A 18 -4.370 -0.771 12.871 1.00 0.00 C ATOM 284 CG2 ILE A 18 -6.410 -0.476 11.439 1.00 0.00 C ATOM 285 CD1 ILE A 18 -5.183 -1.353 14.006 1.00 0.00 C ATOM 0 H ILE A 18 -3.042 -3.021 10.485 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.636 -3.038 11.816 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.388 -0.475 10.753 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.369 -1.203 12.893 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.258 0.302 13.028 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.409 0.585 11.690 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.814 -0.611 10.436 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.028 -1.018 12.155 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.686 -1.145 14.954 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.176 -0.903 14.010 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.274 -2.431 13.873 1.00 0.00 H new ATOM 297 N ASP A 19 -6.740 -2.628 9.484 1.00 0.00 N ATOM 298 CA ASP A 19 -7.299 -2.780 8.145 1.00 0.00 C ATOM 299 C ASP A 19 -6.916 -1.592 7.267 1.00 0.00 C ATOM 300 O ASP A 19 -6.168 -0.713 7.693 1.00 0.00 O ATOM 301 CB ASP A 19 -8.821 -2.910 8.214 1.00 0.00 C ATOM 302 CG ASP A 19 -9.282 -4.353 8.168 1.00 0.00 C ATOM 303 OD1 ASP A 19 -8.656 -5.199 8.842 1.00 0.00 O ATOM 304 OD2 ASP A 19 -10.270 -4.638 7.458 1.00 0.00 O ATOM 0 H ASP A 19 -7.432 -2.475 10.217 1.00 0.00 H new ATOM 0 HA ASP A 19 -6.888 -3.688 7.704 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -9.181 -2.446 9.132 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.267 -2.363 7.384 1.00 0.00 H new ATOM 309 N GLY A 20 -7.431 -1.571 6.041 1.00 0.00 N ATOM 310 CA GLY A 20 -7.131 -0.481 5.129 1.00 0.00 C ATOM 311 C GLY A 20 -7.721 0.834 5.599 1.00 0.00 C ATOM 312 O GLY A 20 -8.669 1.346 5.004 1.00 0.00 O ATOM 0 H GLY A 20 -8.050 -2.288 5.663 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.050 -0.378 5.030 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.520 -0.719 4.139 1.00 0.00 H new ATOM 316 N ASP A 21 -7.163 1.376 6.674 1.00 0.00 N ATOM 317 CA ASP A 21 -7.635 2.633 7.236 1.00 0.00 C ATOM 318 C ASP A 21 -6.483 3.408 7.858 1.00 0.00 C ATOM 319 O ASP A 21 -6.277 4.584 7.558 1.00 0.00 O ATOM 320 CB ASP A 21 -8.718 2.374 8.284 1.00 0.00 C ATOM 321 CG ASP A 21 -9.522 3.619 8.607 1.00 0.00 C ATOM 322 OD1 ASP A 21 -8.946 4.562 9.190 1.00 0.00 O ATOM 323 OD2 ASP A 21 -10.725 3.650 8.279 1.00 0.00 O ATOM 0 H ASP A 21 -6.378 0.961 7.176 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.060 3.230 6.429 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.390 1.595 7.923 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.254 1.998 9.196 1.00 0.00 H new ATOM 328 N THR A 22 -5.733 2.739 8.731 1.00 0.00 N ATOM 329 CA THR A 22 -4.600 3.369 9.395 1.00 0.00 C ATOM 330 C THR A 22 -3.559 2.340 9.826 1.00 0.00 C ATOM 331 O THR A 22 -3.753 1.610 10.796 1.00 0.00 O ATOM 332 CB THR A 22 -5.080 4.161 10.614 1.00 0.00 C ATOM 333 OG1 THR A 22 -3.985 4.542 11.428 1.00 0.00 O ATOM 334 CG2 THR A 22 -6.052 3.393 11.481 1.00 0.00 C ATOM 0 H THR A 22 -5.890 1.766 8.992 1.00 0.00 H new ATOM 0 HA THR A 22 -4.131 4.045 8.681 1.00 0.00 H new ATOM 0 HB THR A 22 -5.592 5.034 10.208 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.312 5.048 12.201 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.352 4.012 12.327 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.932 3.128 10.895 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.573 2.485 11.848 1.00 0.00 H new ATOM 342 N VAL A 23 -2.443 2.309 9.106 1.00 0.00 N ATOM 343 CA VAL A 23 -1.347 1.397 9.409 1.00 0.00 C ATOM 344 C VAL A 23 -0.025 2.154 9.400 1.00 0.00 C ATOM 345 O VAL A 23 0.406 2.661 8.363 1.00 0.00 O ATOM 346 CB VAL A 23 -1.273 0.223 8.411 1.00 0.00 C ATOM 347 CG1 VAL A 23 -2.302 -0.841 8.759 1.00 0.00 C ATOM 348 CG2 VAL A 23 -1.466 0.713 6.984 1.00 0.00 C ATOM 0 H VAL A 23 -2.273 2.912 8.301 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.535 0.981 10.399 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.281 -0.224 8.484 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.234 -1.661 8.044 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.109 -1.219 9.763 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.301 -0.407 8.720 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.410 -0.132 6.298 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.441 1.191 6.892 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.685 1.433 6.738 1.00 0.00 H new ATOM 358 N LYS A 24 0.603 2.251 10.566 1.00 0.00 N ATOM 359 CA LYS A 24 1.863 2.977 10.699 1.00 0.00 C ATOM 360 C LYS A 24 3.055 2.146 10.228 1.00 0.00 C ATOM 361 O LYS A 24 3.148 0.951 10.508 1.00 0.00 O ATOM 362 CB LYS A 24 2.079 3.415 12.150 1.00 0.00 C ATOM 363 CG LYS A 24 1.710 2.356 13.177 1.00 0.00 C ATOM 364 CD LYS A 24 0.394 2.680 13.869 1.00 0.00 C ATOM 365 CE LYS A 24 0.555 2.724 15.381 1.00 0.00 C ATOM 366 NZ LYS A 24 1.434 3.846 15.814 1.00 0.00 N ATOM 0 H LYS A 24 0.262 1.837 11.433 1.00 0.00 H new ATOM 0 HA LYS A 24 1.795 3.857 10.060 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.126 3.688 12.284 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.489 4.312 12.340 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.635 1.385 12.688 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.503 2.278 13.921 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.022 3.641 13.514 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.352 1.931 13.603 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.425 2.830 15.847 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.974 1.780 15.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.295 4.024 16.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.428 3.595 15.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.194 4.703 15.276 1.00 0.00 H new ATOM 380 N LEU A 25 3.969 2.806 9.520 1.00 0.00 N ATOM 381 CA LEU A 25 5.170 2.165 9.008 1.00 0.00 C ATOM 382 C LEU A 25 6.410 2.871 9.548 1.00 0.00 C ATOM 383 O LEU A 25 6.539 4.089 9.435 1.00 0.00 O ATOM 384 CB LEU A 25 5.186 2.188 7.472 1.00 0.00 C ATOM 385 CG LEU A 25 4.229 3.181 6.813 1.00 0.00 C ATOM 386 CD1 LEU A 25 4.665 3.470 5.384 1.00 0.00 C ATOM 387 CD2 LEU A 25 2.806 2.644 6.840 1.00 0.00 C ATOM 0 H LEU A 25 3.895 3.796 9.288 1.00 0.00 H new ATOM 0 HA LEU A 25 5.173 1.127 9.340 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.200 2.414 7.141 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.948 1.188 7.110 1.00 0.00 H new ATOM 0 HG LEU A 25 4.255 4.114 7.376 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.973 4.179 4.929 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.669 3.895 5.389 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.666 2.544 4.809 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.137 3.363 6.367 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.764 1.698 6.299 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.496 2.485 7.873 1.00 0.00 H new ATOM 399 N MET A 26 7.317 2.101 10.139 1.00 0.00 N ATOM 400 CA MET A 26 8.537 2.667 10.696 1.00 0.00 C ATOM 401 C MET A 26 9.497 3.084 9.589 1.00 0.00 C ATOM 402 O MET A 26 10.212 2.255 9.026 1.00 0.00 O ATOM 403 CB MET A 26 9.217 1.656 11.622 1.00 0.00 C ATOM 404 CG MET A 26 9.550 0.337 10.942 1.00 0.00 C ATOM 405 SD MET A 26 11.314 -0.039 10.970 1.00 0.00 S ATOM 406 CE MET A 26 11.532 -0.509 12.685 1.00 0.00 C ATOM 0 H MET A 26 7.231 1.090 10.244 1.00 0.00 H new ATOM 0 HA MET A 26 8.267 3.552 11.272 1.00 0.00 H new ATOM 0 HB2 MET A 26 10.134 2.095 12.014 1.00 0.00 H new ATOM 0 HB3 MET A 26 8.566 1.462 12.475 1.00 0.00 H new ATOM 0 HG2 MET A 26 9.004 -0.468 11.434 1.00 0.00 H new ATOM 0 HG3 MET A 26 9.207 0.370 9.908 1.00 0.00 H new ATOM 0 HE1 MET A 26 12.575 -0.771 12.861 1.00 0.00 H new ATOM 0 HE2 MET A 26 11.254 0.325 13.329 1.00 0.00 H new ATOM 0 HE3 MET A 26 10.900 -1.368 12.910 1.00 0.00 H new ATOM 416 N TYR A 27 9.508 4.378 9.281 1.00 0.00 N ATOM 417 CA TYR A 27 10.381 4.909 8.242 1.00 0.00 C ATOM 418 C TYR A 27 11.375 5.905 8.827 1.00 0.00 C ATOM 419 O TYR A 27 10.990 6.971 9.309 1.00 0.00 O ATOM 420 CB TYR A 27 9.552 5.580 7.145 1.00 0.00 C ATOM 421 CG TYR A 27 10.385 6.119 6.003 1.00 0.00 C ATOM 422 CD1 TYR A 27 11.115 7.291 6.148 1.00 0.00 C ATOM 423 CD2 TYR A 27 10.442 5.453 4.786 1.00 0.00 C ATOM 424 CE1 TYR A 27 11.878 7.786 5.108 1.00 0.00 C ATOM 425 CE2 TYR A 27 11.204 5.941 3.742 1.00 0.00 C ATOM 426 CZ TYR A 27 11.921 7.108 3.909 1.00 0.00 C ATOM 427 OH TYR A 27 12.680 7.598 2.871 1.00 0.00 O ATOM 0 H TYR A 27 8.922 5.077 9.737 1.00 0.00 H new ATOM 0 HA TYR A 27 10.938 4.079 7.809 1.00 0.00 H new ATOM 0 HB2 TYR A 27 8.834 4.860 6.752 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.978 6.397 7.583 1.00 0.00 H new ATOM 0 HD1 TYR A 27 11.086 7.823 7.087 1.00 0.00 H new ATOM 0 HD2 TYR A 27 9.882 4.539 4.653 1.00 0.00 H new ATOM 0 HE1 TYR A 27 12.438 8.701 5.234 1.00 0.00 H new ATOM 0 HE2 TYR A 27 11.238 5.412 2.801 1.00 0.00 H new ATOM 0 HH TYR A 27 12.602 7.001 2.098 1.00 0.00 H new ATOM 437 N LYS A 28 12.655 5.552 8.784 1.00 0.00 N ATOM 438 CA LYS A 28 13.705 6.414 9.312 1.00 0.00 C ATOM 439 C LYS A 28 13.492 6.679 10.800 1.00 0.00 C ATOM 440 O LYS A 28 13.900 7.718 11.320 1.00 0.00 O ATOM 441 CB LYS A 28 13.743 7.739 8.548 1.00 0.00 C ATOM 442 CG LYS A 28 15.132 8.350 8.458 1.00 0.00 C ATOM 443 CD LYS A 28 15.089 9.861 8.620 1.00 0.00 C ATOM 444 CE LYS A 28 15.502 10.284 10.023 1.00 0.00 C ATOM 445 NZ LYS A 28 14.327 10.634 10.867 1.00 0.00 N ATOM 0 H LYS A 28 12.990 4.674 8.388 1.00 0.00 H new ATOM 0 HA LYS A 28 14.659 5.902 9.183 1.00 0.00 H new ATOM 0 HB2 LYS A 28 13.360 7.579 7.540 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.074 8.449 9.035 1.00 0.00 H new ATOM 0 HG2 LYS A 28 15.771 7.919 9.229 1.00 0.00 H new ATOM 0 HG3 LYS A 28 15.579 8.099 7.496 1.00 0.00 H new ATOM 0 HD2 LYS A 28 15.751 10.325 7.889 1.00 0.00 H new ATOM 0 HD3 LYS A 28 14.082 10.222 8.412 1.00 0.00 H new ATOM 0 HE2 LYS A 28 16.061 9.476 10.496 1.00 0.00 H new ATOM 0 HE3 LYS A 28 16.172 11.141 9.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.634 11.237 11.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.627 11.146 10.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.898 9.764 11.242 1.00 0.00 H new ATOM 459 N GLY A 29 12.853 5.732 11.480 1.00 0.00 N ATOM 460 CA GLY A 29 12.597 5.882 12.900 1.00 0.00 C ATOM 461 C GLY A 29 11.363 6.716 13.188 1.00 0.00 C ATOM 462 O GLY A 29 11.201 7.228 14.297 1.00 0.00 O ATOM 0 H GLY A 29 12.508 4.863 11.072 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.477 4.896 13.349 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.462 6.345 13.374 1.00 0.00 H new ATOM 466 N GLN A 30 10.493 6.857 12.193 1.00 0.00 N ATOM 467 CA GLN A 30 9.271 7.637 12.354 1.00 0.00 C ATOM 468 C GLN A 30 8.058 6.868 11.828 1.00 0.00 C ATOM 469 O GLN A 30 8.064 6.389 10.694 1.00 0.00 O ATOM 470 CB GLN A 30 9.396 8.974 11.622 1.00 0.00 C ATOM 471 CG GLN A 30 10.411 9.916 12.247 1.00 0.00 C ATOM 472 CD GLN A 30 9.769 11.147 12.858 1.00 0.00 C ATOM 473 OE1 GLN A 30 9.978 11.452 14.032 1.00 0.00 O ATOM 474 NE2 GLN A 30 8.980 11.859 12.063 1.00 0.00 N ATOM 0 H GLN A 30 10.611 6.442 11.269 1.00 0.00 H new ATOM 0 HA GLN A 30 9.127 7.823 13.418 1.00 0.00 H new ATOM 0 HB2 GLN A 30 9.677 8.787 10.586 1.00 0.00 H new ATOM 0 HB3 GLN A 30 8.422 9.462 11.605 1.00 0.00 H new ATOM 0 HG2 GLN A 30 10.970 9.383 13.016 1.00 0.00 H new ATOM 0 HG3 GLN A 30 11.129 10.225 11.488 1.00 0.00 H new ATOM 0 HE21 GLN A 30 8.835 11.569 11.096 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.519 12.696 12.419 1.00 0.00 H new ATOM 483 N PRO A 31 6.996 6.738 12.646 1.00 0.00 N ATOM 484 CA PRO A 31 5.780 6.024 12.248 1.00 0.00 C ATOM 485 C PRO A 31 4.940 6.823 11.258 1.00 0.00 C ATOM 486 O PRO A 31 4.603 7.981 11.507 1.00 0.00 O ATOM 487 CB PRO A 31 5.028 5.850 13.568 1.00 0.00 C ATOM 488 CG PRO A 31 5.469 7.000 14.403 1.00 0.00 C ATOM 489 CD PRO A 31 6.896 7.277 14.017 1.00 0.00 C ATOM 0 HA PRO A 31 6.003 5.085 11.740 1.00 0.00 H new ATOM 0 HB2 PRO A 31 3.949 5.862 13.414 1.00 0.00 H new ATOM 0 HB3 PRO A 31 5.272 4.899 14.041 1.00 0.00 H new ATOM 0 HG2 PRO A 31 4.841 7.873 14.225 1.00 0.00 H new ATOM 0 HG3 PRO A 31 5.392 6.763 15.464 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.119 8.344 14.046 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.597 6.786 14.693 1.00 0.00 H new ATOM 497 N MET A 32 4.607 6.201 10.132 1.00 0.00 N ATOM 498 CA MET A 32 3.809 6.859 9.102 1.00 0.00 C ATOM 499 C MET A 32 2.496 6.115 8.862 1.00 0.00 C ATOM 500 O MET A 32 2.489 5.007 8.332 1.00 0.00 O ATOM 501 CB MET A 32 4.606 6.947 7.800 1.00 0.00 C ATOM 502 CG MET A 32 5.815 7.865 7.889 1.00 0.00 C ATOM 503 SD MET A 32 5.371 9.610 7.791 1.00 0.00 S ATOM 504 CE MET A 32 6.929 10.381 8.220 1.00 0.00 C ATOM 0 H MET A 32 4.877 5.243 9.909 1.00 0.00 H new ATOM 0 HA MET A 32 3.571 7.865 9.448 1.00 0.00 H new ATOM 0 HB2 MET A 32 4.939 5.948 7.519 1.00 0.00 H new ATOM 0 HB3 MET A 32 3.950 7.300 7.005 1.00 0.00 H new ATOM 0 HG2 MET A 32 6.339 7.680 8.827 1.00 0.00 H new ATOM 0 HG3 MET A 32 6.509 7.625 7.083 1.00 0.00 H new ATOM 0 HE1 MET A 32 6.815 11.465 8.203 1.00 0.00 H new ATOM 0 HE2 MET A 32 7.229 10.063 9.218 1.00 0.00 H new ATOM 0 HE3 MET A 32 7.692 10.085 7.500 1.00 0.00 H new ATOM 514 N THR A 33 1.390 6.736 9.258 1.00 0.00 N ATOM 515 CA THR A 33 0.068 6.139 9.091 1.00 0.00 C ATOM 516 C THR A 33 -0.350 6.117 7.623 1.00 0.00 C ATOM 517 O THR A 33 0.144 6.898 6.810 1.00 0.00 O ATOM 518 CB THR A 33 -0.967 6.906 9.915 1.00 0.00 C ATOM 519 OG1 THR A 33 -0.502 7.115 11.235 1.00 0.00 O ATOM 520 CG2 THR A 33 -2.303 6.201 10.004 1.00 0.00 C ATOM 0 H THR A 33 1.382 7.656 9.699 1.00 0.00 H new ATOM 0 HA THR A 33 0.120 5.110 9.445 1.00 0.00 H new ATOM 0 HB THR A 33 -1.108 7.852 9.392 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.177 7.609 11.745 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.991 6.799 10.602 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.713 6.070 9.002 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.169 5.226 10.472 1.00 0.00 H new ATOM 528 N PHE A 34 -1.267 5.211 7.298 1.00 0.00 N ATOM 529 CA PHE A 34 -1.770 5.065 5.933 1.00 0.00 C ATOM 530 C PHE A 34 -3.279 5.292 5.890 1.00 0.00 C ATOM 531 O PHE A 34 -3.960 5.183 6.908 1.00 0.00 O ATOM 532 CB PHE A 34 -1.429 3.676 5.388 1.00 0.00 C ATOM 533 CG PHE A 34 -0.180 3.643 4.550 1.00 0.00 C ATOM 534 CD1 PHE A 34 0.914 4.430 4.875 1.00 0.00 C ATOM 535 CD2 PHE A 34 -0.102 2.823 3.436 1.00 0.00 C ATOM 536 CE1 PHE A 34 2.060 4.399 4.107 1.00 0.00 C ATOM 537 CE2 PHE A 34 1.044 2.789 2.662 1.00 0.00 C ATOM 538 CZ PHE A 34 2.125 3.578 2.998 1.00 0.00 C ATOM 0 H PHE A 34 -1.681 4.561 7.966 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.289 5.816 5.307 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.313 2.986 6.224 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -2.266 3.315 4.791 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.869 5.075 5.740 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.945 2.203 3.169 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.905 5.016 4.373 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.093 2.146 1.796 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.021 3.554 2.395 1.00 0.00 H new ATOM 548 N ARG A 35 -3.798 5.616 4.711 1.00 0.00 N ATOM 549 CA ARG A 35 -5.227 5.863 4.550 1.00 0.00 C ATOM 550 C ARG A 35 -5.858 4.840 3.613 1.00 0.00 C ATOM 551 O ARG A 35 -5.214 4.348 2.685 1.00 0.00 O ATOM 552 CB ARG A 35 -5.467 7.280 4.020 1.00 0.00 C ATOM 553 CG ARG A 35 -6.522 8.047 4.804 1.00 0.00 C ATOM 554 CD ARG A 35 -6.916 9.335 4.099 1.00 0.00 C ATOM 555 NE ARG A 35 -8.167 9.195 3.360 1.00 0.00 N ATOM 556 CZ ARG A 35 -8.637 10.110 2.515 1.00 0.00 C ATOM 557 NH1 ARG A 35 -7.962 11.234 2.301 1.00 0.00 N ATOM 558 NH2 ARG A 35 -9.784 9.904 1.882 1.00 0.00 N ATOM 0 H ARG A 35 -3.253 5.714 3.855 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.697 5.766 5.529 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -4.529 7.834 4.049 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.772 7.223 2.975 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -7.404 7.420 4.938 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -6.141 8.278 5.799 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -7.017 10.134 4.834 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.122 9.630 3.414 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.714 8.345 3.499 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -7.079 11.399 2.785 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -8.326 11.932 1.653 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -10.308 9.043 2.042 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -10.143 10.606 1.235 1.00 0.00 H new ATOM 572 N LEU A 36 -7.125 4.521 3.864 1.00 0.00 N ATOM 573 CA LEU A 36 -7.855 3.552 3.050 1.00 0.00 C ATOM 574 C LEU A 36 -7.700 3.844 1.560 1.00 0.00 C ATOM 575 O LEU A 36 -8.088 4.909 1.081 1.00 0.00 O ATOM 576 CB LEU A 36 -9.338 3.558 3.427 1.00 0.00 C ATOM 577 CG LEU A 36 -10.137 2.346 2.940 1.00 0.00 C ATOM 578 CD1 LEU A 36 -11.238 1.998 3.933 1.00 0.00 C ATOM 579 CD2 LEU A 36 -10.721 2.609 1.558 1.00 0.00 C ATOM 0 H LEU A 36 -7.670 4.921 4.628 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.433 2.567 3.248 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -9.421 3.616 4.512 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -9.796 4.461 3.024 1.00 0.00 H new ATOM 0 HG LEU A 36 -9.460 1.494 2.867 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -11.795 1.134 3.570 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.794 1.763 4.901 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.913 2.847 4.040 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -11.285 1.736 1.229 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -11.383 3.474 1.601 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -9.913 2.805 0.853 1.00 0.00 H new ATOM 591 N LEU A 37 -7.137 2.884 0.834 1.00 0.00 N ATOM 592 CA LEU A 37 -6.934 3.020 -0.607 1.00 0.00 C ATOM 593 C LEU A 37 -8.214 3.487 -1.296 1.00 0.00 C ATOM 594 O LEU A 37 -9.291 3.453 -0.700 1.00 0.00 O ATOM 595 CB LEU A 37 -6.461 1.696 -1.209 1.00 0.00 C ATOM 596 CG LEU A 37 -7.271 0.465 -0.796 1.00 0.00 C ATOM 597 CD1 LEU A 37 -8.675 0.531 -1.379 1.00 0.00 C ATOM 598 CD2 LEU A 37 -6.568 -0.808 -1.240 1.00 0.00 C ATOM 0 H LEU A 37 -6.811 1.998 1.221 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.163 3.773 -0.770 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.486 1.780 -2.295 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.420 1.538 -0.926 1.00 0.00 H new ATOM 0 HG LEU A 37 -7.350 0.453 0.291 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.237 -0.352 -1.075 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -9.179 1.425 -1.013 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.616 0.567 -2.467 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.158 -1.674 -0.938 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.458 -0.804 -2.324 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.583 -0.860 -0.776 1.00 0.00 H new ATOM 610 N LEU A 38 -8.078 3.938 -2.546 1.00 0.00 N ATOM 611 CA LEU A 38 -9.212 4.431 -3.340 1.00 0.00 C ATOM 612 C LEU A 38 -10.519 3.711 -2.999 1.00 0.00 C ATOM 613 O LEU A 38 -10.511 2.589 -2.493 1.00 0.00 O ATOM 614 CB LEU A 38 -8.913 4.278 -4.833 1.00 0.00 C ATOM 615 CG LEU A 38 -9.896 4.986 -5.766 1.00 0.00 C ATOM 616 CD1 LEU A 38 -9.743 6.495 -5.658 1.00 0.00 C ATOM 617 CD2 LEU A 38 -9.691 4.529 -7.202 1.00 0.00 C ATOM 0 H LEU A 38 -7.184 3.973 -3.036 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.344 5.484 -3.093 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.911 4.660 -5.028 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.903 3.216 -5.079 1.00 0.00 H new ATOM 0 HG LEU A 38 -10.909 4.722 -5.463 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -10.451 6.981 -6.329 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -9.941 6.808 -4.633 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.727 6.778 -5.934 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -10.399 5.043 -7.852 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.674 4.763 -7.517 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.853 3.453 -7.268 1.00 0.00 H new ATOM 629 N VAL A 39 -11.638 4.372 -3.279 1.00 0.00 N ATOM 630 CA VAL A 39 -12.951 3.810 -2.995 1.00 0.00 C ATOM 631 C VAL A 39 -13.191 2.515 -3.765 1.00 0.00 C ATOM 632 O VAL A 39 -12.927 2.429 -4.964 1.00 0.00 O ATOM 633 CB VAL A 39 -14.074 4.808 -3.338 1.00 0.00 C ATOM 634 CG1 VAL A 39 -15.418 4.292 -2.846 1.00 0.00 C ATOM 635 CG2 VAL A 39 -13.771 6.176 -2.746 1.00 0.00 C ATOM 0 H VAL A 39 -11.660 5.299 -3.703 1.00 0.00 H new ATOM 0 HA VAL A 39 -12.969 3.596 -1.926 1.00 0.00 H new ATOM 0 HB VAL A 39 -14.126 4.909 -4.422 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -16.198 5.011 -3.098 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -15.637 3.337 -3.323 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -15.383 4.159 -1.765 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -14.575 6.868 -2.998 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -13.690 6.094 -1.662 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -12.831 6.548 -3.153 1.00 0.00 H new ATOM 645 N ASP A 40 -13.698 1.512 -3.055 1.00 0.00 N ATOM 646 CA ASP A 40 -13.987 0.210 -3.645 1.00 0.00 C ATOM 647 C ASP A 40 -15.333 -0.307 -3.152 1.00 0.00 C ATOM 648 O ASP A 40 -15.888 0.216 -2.185 1.00 0.00 O ATOM 649 CB ASP A 40 -12.881 -0.789 -3.301 1.00 0.00 C ATOM 650 CG ASP A 40 -12.572 -0.822 -1.817 1.00 0.00 C ATOM 651 OD1 ASP A 40 -13.525 -0.801 -1.011 1.00 0.00 O ATOM 652 OD2 ASP A 40 -11.374 -0.867 -1.463 1.00 0.00 O ATOM 0 H ASP A 40 -13.919 1.578 -2.061 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.030 0.323 -4.728 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -13.180 -1.785 -3.629 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.977 -0.530 -3.852 1.00 0.00 H new ATOM 657 N THR A 41 -15.858 -1.328 -3.820 1.00 0.00 N ATOM 658 CA THR A 41 -17.145 -1.903 -3.444 1.00 0.00 C ATOM 659 C THR A 41 -17.009 -2.782 -2.200 1.00 0.00 C ATOM 660 O THR A 41 -16.380 -3.840 -2.244 1.00 0.00 O ATOM 661 CB THR A 41 -17.718 -2.721 -4.601 1.00 0.00 C ATOM 662 OG1 THR A 41 -17.899 -1.907 -5.748 1.00 0.00 O ATOM 663 CG2 THR A 41 -19.049 -3.365 -4.281 1.00 0.00 C ATOM 0 H THR A 41 -15.414 -1.774 -4.623 1.00 0.00 H new ATOM 0 HA THR A 41 -17.827 -1.084 -3.214 1.00 0.00 H new ATOM 0 HB THR A 41 -16.988 -3.509 -4.785 1.00 0.00 H new ATOM 0 HG1 THR A 41 -18.190 -2.463 -6.501 1.00 0.00 H new ATOM 0 HG21 THR A 41 -19.397 -3.930 -5.146 1.00 0.00 H new ATOM 0 HG22 THR A 41 -18.933 -4.038 -3.431 1.00 0.00 H new ATOM 0 HG23 THR A 41 -19.777 -2.592 -4.035 1.00 0.00 H new ATOM 671 N PRO A 42 -17.598 -2.351 -1.067 1.00 0.00 N ATOM 672 CA PRO A 42 -17.541 -3.096 0.190 1.00 0.00 C ATOM 673 C PRO A 42 -18.614 -4.173 0.279 1.00 0.00 C ATOM 674 O PRO A 42 -19.588 -4.157 -0.476 1.00 0.00 O ATOM 675 CB PRO A 42 -17.786 -2.009 1.230 1.00 0.00 C ATOM 676 CG PRO A 42 -18.700 -1.046 0.551 1.00 0.00 C ATOM 677 CD PRO A 42 -18.367 -1.099 -0.920 1.00 0.00 C ATOM 0 HA PRO A 42 -16.600 -3.632 0.314 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -18.239 -2.418 2.133 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -16.855 -1.529 1.530 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -19.742 -1.315 0.722 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -18.562 -0.038 0.943 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -19.268 -1.110 -1.533 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -17.782 -0.233 -1.228 1.00 0.00 H new ATOM 685 N GLU A 43 -18.435 -5.111 1.204 1.00 0.00 N ATOM 686 CA GLU A 43 -19.392 -6.196 1.384 1.00 0.00 C ATOM 687 C GLU A 43 -19.786 -6.353 2.852 1.00 0.00 C ATOM 688 O GLU A 43 -20.955 -6.571 3.166 1.00 0.00 O ATOM 689 CB GLU A 43 -18.808 -7.510 0.860 1.00 0.00 C ATOM 690 CG GLU A 43 -19.855 -8.463 0.309 1.00 0.00 C ATOM 691 CD GLU A 43 -19.620 -9.900 0.736 1.00 0.00 C ATOM 692 OE1 GLU A 43 -18.697 -10.539 0.186 1.00 0.00 O ATOM 693 OE2 GLU A 43 -20.356 -10.385 1.619 1.00 0.00 O ATOM 0 H GLU A 43 -17.637 -5.141 1.839 1.00 0.00 H new ATOM 0 HA GLU A 43 -20.288 -5.947 0.816 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -18.082 -7.289 0.078 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -18.267 -8.005 1.666 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -20.842 -8.145 0.644 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -19.855 -8.407 -0.780 1.00 0.00 H new ATOM 700 N THR A 44 -18.805 -6.252 3.744 1.00 0.00 N ATOM 701 CA THR A 44 -19.059 -6.395 5.174 1.00 0.00 C ATOM 702 C THR A 44 -20.031 -5.328 5.672 1.00 0.00 C ATOM 703 O THR A 44 -19.643 -4.185 5.917 1.00 0.00 O ATOM 704 CB THR A 44 -17.749 -6.311 5.956 1.00 0.00 C ATOM 705 OG1 THR A 44 -17.988 -6.414 7.349 1.00 0.00 O ATOM 706 CG2 THR A 44 -16.989 -5.024 5.715 1.00 0.00 C ATOM 0 H THR A 44 -17.830 -6.072 3.503 1.00 0.00 H new ATOM 0 HA THR A 44 -19.512 -7.373 5.337 1.00 0.00 H new ATOM 0 HB THR A 44 -17.145 -7.144 5.596 1.00 0.00 H new ATOM 0 HG1 THR A 44 -17.137 -6.360 7.832 1.00 0.00 H new ATOM 0 HG21 THR A 44 -16.069 -5.029 6.300 1.00 0.00 H new ATOM 0 HG22 THR A 44 -16.745 -4.938 4.656 1.00 0.00 H new ATOM 0 HG23 THR A 44 -17.605 -4.176 6.015 1.00 0.00 H new ATOM 714 N LYS A 45 -21.295 -5.717 5.829 1.00 0.00 N ATOM 715 CA LYS A 45 -22.341 -4.810 6.308 1.00 0.00 C ATOM 716 C LYS A 45 -22.283 -3.443 5.624 1.00 0.00 C ATOM 717 O LYS A 45 -22.810 -2.461 6.147 1.00 0.00 O ATOM 718 CB LYS A 45 -22.224 -4.632 7.824 1.00 0.00 C ATOM 719 CG LYS A 45 -23.391 -3.878 8.441 1.00 0.00 C ATOM 720 CD LYS A 45 -22.970 -2.508 8.950 1.00 0.00 C ATOM 721 CE LYS A 45 -23.631 -2.180 10.279 1.00 0.00 C ATOM 722 NZ LYS A 45 -22.776 -2.566 11.434 1.00 0.00 N ATOM 0 H LYS A 45 -21.623 -6.662 5.630 1.00 0.00 H new ATOM 0 HA LYS A 45 -23.300 -5.263 6.058 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -22.149 -5.614 8.292 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -21.299 -4.100 8.049 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -24.183 -3.764 7.700 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -23.806 -4.460 9.264 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -21.886 -2.478 9.064 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -23.234 -1.748 8.214 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -23.843 -1.112 10.325 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -24.588 -2.698 10.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -23.262 -2.326 12.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -22.594 -3.590 11.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -21.873 -2.053 11.384 1.00 0.00 H new ATOM 736 N HIS A 46 -21.648 -3.376 4.457 1.00 0.00 N ATOM 737 CA HIS A 46 -21.538 -2.121 3.723 1.00 0.00 C ATOM 738 C HIS A 46 -22.146 -2.247 2.325 1.00 0.00 C ATOM 739 O HIS A 46 -21.796 -3.157 1.574 1.00 0.00 O ATOM 740 CB HIS A 46 -20.073 -1.694 3.621 1.00 0.00 C ATOM 741 CG HIS A 46 -19.649 -0.750 4.703 1.00 0.00 C ATOM 742 ND1 HIS A 46 -18.586 -0.999 5.545 1.00 0.00 N ATOM 743 CD2 HIS A 46 -20.150 0.451 5.077 1.00 0.00 C ATOM 744 CE1 HIS A 46 -18.452 0.007 6.392 1.00 0.00 C ATOM 745 NE2 HIS A 46 -19.388 0.899 6.129 1.00 0.00 N ATOM 0 H HIS A 46 -21.204 -4.173 4.002 1.00 0.00 H new ATOM 0 HA HIS A 46 -22.094 -1.360 4.270 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -19.441 -2.581 3.656 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -19.907 -1.222 2.653 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -20.991 0.961 4.632 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -17.704 0.085 7.167 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -19.524 1.779 6.626 1.00 0.00 H new ATOM 754 N PRO A 47 -23.062 -1.334 1.951 1.00 0.00 N ATOM 755 CA PRO A 47 -23.702 -1.361 0.631 1.00 0.00 C ATOM 756 C PRO A 47 -22.684 -1.298 -0.503 1.00 0.00 C ATOM 757 O PRO A 47 -21.604 -0.729 -0.348 1.00 0.00 O ATOM 758 CB PRO A 47 -24.582 -0.106 0.627 1.00 0.00 C ATOM 759 CG PRO A 47 -24.792 0.223 2.065 1.00 0.00 C ATOM 760 CD PRO A 47 -23.541 -0.209 2.774 1.00 0.00 C ATOM 0 HA PRO A 47 -24.259 -2.284 0.470 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -24.095 0.715 0.101 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -25.530 -0.290 0.122 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -24.968 1.290 2.200 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -25.664 -0.297 2.461 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -22.807 0.596 2.823 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -23.745 -0.518 3.799 1.00 0.00 H new ATOM 768 N LYS A 48 -23.034 -1.887 -1.641 1.00 0.00 N ATOM 769 CA LYS A 48 -22.148 -1.896 -2.802 1.00 0.00 C ATOM 770 C LYS A 48 -21.889 -0.478 -3.300 1.00 0.00 C ATOM 771 O LYS A 48 -22.584 0.462 -2.914 1.00 0.00 O ATOM 772 CB LYS A 48 -22.751 -2.742 -3.924 1.00 0.00 C ATOM 773 CG LYS A 48 -22.633 -4.240 -3.688 1.00 0.00 C ATOM 774 CD LYS A 48 -23.909 -4.816 -3.090 1.00 0.00 C ATOM 775 CE LYS A 48 -23.642 -5.510 -1.763 1.00 0.00 C ATOM 776 NZ LYS A 48 -23.549 -6.988 -1.918 1.00 0.00 N ATOM 0 H LYS A 48 -23.924 -2.364 -1.786 1.00 0.00 H new ATOM 0 HA LYS A 48 -21.197 -2.334 -2.498 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -23.804 -2.482 -4.038 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -22.257 -2.491 -4.863 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -22.414 -4.741 -4.631 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -21.795 -4.439 -3.019 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -24.636 -4.017 -2.944 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -24.351 -5.525 -3.790 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -22.714 -5.131 -1.335 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -24.439 -5.268 -1.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -23.366 -7.423 -0.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -24.444 -7.354 -2.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -22.772 -7.221 -2.569 1.00 0.00 H new ATOM 790 N LYS A 49 -20.885 -0.330 -4.160 1.00 0.00 N ATOM 791 CA LYS A 49 -20.535 0.975 -4.708 1.00 0.00 C ATOM 792 C LYS A 49 -20.715 0.997 -6.224 1.00 0.00 C ATOM 793 O LYS A 49 -21.729 1.476 -6.730 1.00 0.00 O ATOM 794 CB LYS A 49 -19.095 1.339 -4.343 1.00 0.00 C ATOM 795 CG LYS A 49 -18.971 2.091 -3.029 1.00 0.00 C ATOM 796 CD LYS A 49 -19.025 3.595 -3.239 1.00 0.00 C ATOM 797 CE LYS A 49 -20.425 4.140 -3.003 1.00 0.00 C ATOM 798 NZ LYS A 49 -20.763 5.237 -3.951 1.00 0.00 N ATOM 0 H LYS A 49 -20.301 -1.097 -4.492 1.00 0.00 H new ATOM 0 HA LYS A 49 -21.207 1.715 -4.272 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -18.502 0.426 -4.287 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -18.670 1.947 -5.141 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -19.775 1.787 -2.358 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -18.032 1.824 -2.543 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -18.324 4.083 -2.562 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -18.707 3.834 -4.254 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -21.151 3.333 -3.108 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -20.503 4.508 -1.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -21.725 5.580 -3.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -20.086 6.018 -3.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -20.714 4.880 -4.927 1.00 0.00 H new ATOM 812 N GLY A 50 -19.724 0.480 -6.948 1.00 0.00 N ATOM 813 CA GLY A 50 -19.802 0.458 -8.398 1.00 0.00 C ATOM 814 C GLY A 50 -19.028 -0.693 -9.010 1.00 0.00 C ATOM 815 O GLY A 50 -19.535 -1.393 -9.888 1.00 0.00 O ATOM 0 H GLY A 50 -18.872 0.078 -6.557 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -20.847 0.389 -8.700 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -19.418 1.399 -8.792 1.00 0.00 H new ATOM 819 N VAL A 51 -17.797 -0.889 -8.551 1.00 0.00 N ATOM 820 CA VAL A 51 -16.952 -1.961 -9.063 1.00 0.00 C ATOM 821 C VAL A 51 -17.455 -3.327 -8.607 1.00 0.00 C ATOM 822 O VAL A 51 -18.331 -3.423 -7.748 1.00 0.00 O ATOM 823 CB VAL A 51 -15.491 -1.789 -8.610 1.00 0.00 C ATOM 824 CG1 VAL A 51 -14.885 -0.536 -9.223 1.00 0.00 C ATOM 825 CG2 VAL A 51 -15.404 -1.746 -7.092 1.00 0.00 C ATOM 0 H VAL A 51 -17.362 -0.319 -7.825 1.00 0.00 H new ATOM 0 HA VAL A 51 -16.998 -1.905 -10.151 1.00 0.00 H new ATOM 0 HB VAL A 51 -14.918 -2.648 -8.959 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -13.852 -0.432 -8.891 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -14.911 -0.614 -10.310 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -15.457 0.337 -8.908 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -14.364 -1.624 -6.790 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -15.991 -0.907 -6.718 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -15.795 -2.676 -6.679 1.00 0.00 H new ATOM 835 N GLU A 52 -16.893 -4.381 -9.187 1.00 0.00 N ATOM 836 CA GLU A 52 -17.282 -5.742 -8.840 1.00 0.00 C ATOM 837 C GLU A 52 -16.184 -6.433 -8.037 1.00 0.00 C ATOM 838 O GLU A 52 -15.062 -5.934 -7.943 1.00 0.00 O ATOM 839 CB GLU A 52 -17.585 -6.547 -10.105 1.00 0.00 C ATOM 840 CG GLU A 52 -18.696 -7.570 -9.924 1.00 0.00 C ATOM 841 CD GLU A 52 -19.828 -7.386 -10.916 1.00 0.00 C ATOM 842 OE1 GLU A 52 -19.576 -6.840 -12.010 1.00 0.00 O ATOM 843 OE2 GLU A 52 -20.967 -7.791 -10.598 1.00 0.00 O ATOM 0 H GLU A 52 -16.166 -4.319 -9.900 1.00 0.00 H new ATOM 0 HA GLU A 52 -18.181 -5.690 -8.226 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -17.862 -5.860 -10.905 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -16.678 -7.060 -10.425 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -18.282 -8.573 -10.033 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -19.091 -7.496 -8.911 1.00 0.00 H new ATOM 850 N LYS A 53 -16.515 -7.584 -7.461 1.00 0.00 N ATOM 851 CA LYS A 53 -15.556 -8.343 -6.666 1.00 0.00 C ATOM 852 C LYS A 53 -14.347 -8.740 -7.507 1.00 0.00 C ATOM 853 O LYS A 53 -14.340 -9.793 -8.144 1.00 0.00 O ATOM 854 CB LYS A 53 -16.224 -9.591 -6.083 1.00 0.00 C ATOM 855 CG LYS A 53 -16.346 -9.566 -4.569 1.00 0.00 C ATOM 856 CD LYS A 53 -16.278 -10.967 -3.982 1.00 0.00 C ATOM 857 CE LYS A 53 -16.086 -10.931 -2.474 1.00 0.00 C ATOM 858 NZ LYS A 53 -17.027 -9.981 -1.818 1.00 0.00 N ATOM 0 H LYS A 53 -17.439 -8.011 -7.530 1.00 0.00 H new ATOM 0 HA LYS A 53 -15.212 -7.709 -5.849 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -17.218 -9.697 -6.517 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -15.652 -10.470 -6.378 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -15.547 -8.955 -4.148 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -17.289 -9.097 -4.286 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -17.194 -11.507 -4.220 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -15.456 -11.516 -4.441 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -16.235 -11.930 -2.065 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -15.060 -10.642 -2.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -17.350 -10.381 -0.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -16.543 -9.077 -1.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -17.846 -9.820 -2.438 1.00 0.00 H new ATOM 872 N TYR A 54 -13.326 -7.889 -7.505 1.00 0.00 N ATOM 873 CA TYR A 54 -12.111 -8.152 -8.271 1.00 0.00 C ATOM 874 C TYR A 54 -10.863 -7.941 -7.416 1.00 0.00 C ATOM 875 O TYR A 54 -9.767 -7.751 -7.941 1.00 0.00 O ATOM 876 CB TYR A 54 -12.059 -7.248 -9.505 1.00 0.00 C ATOM 877 CG TYR A 54 -12.120 -8.004 -10.813 1.00 0.00 C ATOM 878 CD1 TYR A 54 -11.152 -8.946 -11.139 1.00 0.00 C ATOM 879 CD2 TYR A 54 -13.145 -7.774 -11.723 1.00 0.00 C ATOM 880 CE1 TYR A 54 -11.204 -9.637 -12.335 1.00 0.00 C ATOM 881 CE2 TYR A 54 -13.205 -8.462 -12.920 1.00 0.00 C ATOM 882 CZ TYR A 54 -12.232 -9.393 -13.220 1.00 0.00 C ATOM 883 OH TYR A 54 -12.287 -10.079 -14.412 1.00 0.00 O ATOM 0 H TYR A 54 -13.315 -7.013 -6.983 1.00 0.00 H new ATOM 0 HA TYR A 54 -12.133 -9.194 -8.590 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -12.889 -6.543 -9.464 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -11.141 -6.661 -9.477 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -10.346 -9.141 -10.447 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -13.908 -7.045 -11.491 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -10.443 -10.365 -12.575 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -14.008 -8.272 -13.616 1.00 0.00 H new ATOM 0 HH TYR A 54 -13.074 -9.790 -14.920 1.00 0.00 H new ATOM 893 N GLY A 55 -11.035 -7.977 -6.096 1.00 0.00 N ATOM 894 CA GLY A 55 -9.910 -7.789 -5.199 1.00 0.00 C ATOM 895 C GLY A 55 -10.332 -7.685 -3.745 1.00 0.00 C ATOM 896 O GLY A 55 -10.073 -6.672 -3.094 1.00 0.00 O ATOM 0 H GLY A 55 -11.931 -8.133 -5.634 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -9.216 -8.622 -5.313 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -9.372 -6.885 -5.482 1.00 0.00 H new ATOM 900 N PRO A 56 -10.987 -8.726 -3.202 1.00 0.00 N ATOM 901 CA PRO A 56 -11.438 -8.732 -1.810 1.00 0.00 C ATOM 902 C PRO A 56 -10.303 -9.026 -0.832 1.00 0.00 C ATOM 903 O PRO A 56 -10.336 -8.599 0.322 1.00 0.00 O ATOM 904 CB PRO A 56 -12.467 -9.861 -1.788 1.00 0.00 C ATOM 905 CG PRO A 56 -11.994 -10.813 -2.832 1.00 0.00 C ATOM 906 CD PRO A 56 -11.338 -9.977 -3.901 1.00 0.00 C ATOM 0 HA PRO A 56 -11.833 -7.764 -1.501 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -12.514 -10.337 -0.808 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -13.468 -9.491 -2.011 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -11.289 -11.531 -2.413 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -12.826 -11.385 -3.242 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -10.455 -10.469 -4.308 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -12.014 -9.793 -4.736 1.00 0.00 H new ATOM 914 N GLU A 57 -9.300 -9.761 -1.305 1.00 0.00 N ATOM 915 CA GLU A 57 -8.155 -10.119 -0.475 1.00 0.00 C ATOM 916 C GLU A 57 -7.351 -8.883 -0.074 1.00 0.00 C ATOM 917 O GLU A 57 -6.533 -8.940 0.845 1.00 0.00 O ATOM 918 CB GLU A 57 -7.253 -11.107 -1.217 1.00 0.00 C ATOM 919 CG GLU A 57 -6.297 -11.860 -0.307 1.00 0.00 C ATOM 920 CD GLU A 57 -6.717 -13.299 -0.082 1.00 0.00 C ATOM 921 OE1 GLU A 57 -7.150 -13.950 -1.056 1.00 0.00 O ATOM 922 OE2 GLU A 57 -6.612 -13.776 1.069 1.00 0.00 O ATOM 0 H GLU A 57 -9.258 -10.120 -2.259 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.535 -10.588 0.433 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.876 -11.825 -1.750 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.677 -10.567 -1.968 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.297 -11.841 -0.741 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.237 -11.349 0.654 1.00 0.00 H new ATOM 929 N ALA A 58 -7.582 -7.769 -0.766 1.00 0.00 N ATOM 930 CA ALA A 58 -6.874 -6.525 -0.475 1.00 0.00 C ATOM 931 C ALA A 58 -6.913 -6.198 1.016 1.00 0.00 C ATOM 932 O ALA A 58 -5.968 -5.629 1.562 1.00 0.00 O ATOM 933 CB ALA A 58 -7.466 -5.381 -1.284 1.00 0.00 C ATOM 0 H ALA A 58 -8.253 -7.703 -1.531 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.830 -6.658 -0.760 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.929 -4.460 -1.058 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -7.375 -5.602 -2.347 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -8.518 -5.260 -1.027 1.00 0.00 H new ATOM 939 N SER A 59 -8.013 -6.561 1.665 1.00 0.00 N ATOM 940 CA SER A 59 -8.177 -6.306 3.092 1.00 0.00 C ATOM 941 C SER A 59 -7.623 -7.462 3.923 1.00 0.00 C ATOM 942 O SER A 59 -7.261 -7.282 5.085 1.00 0.00 O ATOM 943 CB SER A 59 -9.655 -6.088 3.423 1.00 0.00 C ATOM 944 OG SER A 59 -10.388 -5.713 2.270 1.00 0.00 O ATOM 0 H SER A 59 -8.804 -7.032 1.227 1.00 0.00 H new ATOM 0 HA SER A 59 -7.616 -5.405 3.341 1.00 0.00 H new ATOM 0 HB2 SER A 59 -10.075 -7.002 3.843 1.00 0.00 H new ATOM 0 HB3 SER A 59 -9.750 -5.314 4.185 1.00 0.00 H new ATOM 0 HG SER A 59 -11.329 -5.582 2.509 1.00 0.00 H new ATOM 950 N ALA A 60 -7.561 -8.646 3.322 1.00 0.00 N ATOM 951 CA ALA A 60 -7.051 -9.826 4.011 1.00 0.00 C ATOM 952 C ALA A 60 -5.529 -9.795 4.108 1.00 0.00 C ATOM 953 O ALA A 60 -4.946 -10.350 5.041 1.00 0.00 O ATOM 954 CB ALA A 60 -7.510 -11.091 3.301 1.00 0.00 C ATOM 0 H ALA A 60 -7.857 -8.814 2.360 1.00 0.00 H new ATOM 0 HA ALA A 60 -7.452 -9.824 5.025 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -7.122 -11.964 3.826 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.599 -11.128 3.291 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.138 -11.089 2.277 1.00 0.00 H new ATOM 960 N PHE A 61 -4.890 -9.146 3.140 1.00 0.00 N ATOM 961 CA PHE A 61 -3.433 -9.045 3.117 1.00 0.00 C ATOM 962 C PHE A 61 -2.910 -8.413 4.403 1.00 0.00 C ATOM 963 O PHE A 61 -1.977 -8.924 5.024 1.00 0.00 O ATOM 964 CB PHE A 61 -2.979 -8.222 1.910 1.00 0.00 C ATOM 965 CG PHE A 61 -2.835 -9.031 0.652 1.00 0.00 C ATOM 966 CD1 PHE A 61 -1.764 -9.894 0.487 1.00 0.00 C ATOM 967 CD2 PHE A 61 -3.771 -8.928 -0.364 1.00 0.00 C ATOM 968 CE1 PHE A 61 -1.628 -10.640 -0.669 1.00 0.00 C ATOM 969 CE2 PHE A 61 -3.641 -9.672 -1.523 1.00 0.00 C ATOM 970 CZ PHE A 61 -2.568 -10.529 -1.674 1.00 0.00 C ATOM 0 H PHE A 61 -5.357 -8.682 2.361 1.00 0.00 H new ATOM 0 HA PHE A 61 -3.025 -10.053 3.037 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.697 -7.420 1.737 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -2.024 -7.750 2.141 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -1.027 -9.985 1.271 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -4.612 -8.259 -0.250 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.788 -11.308 -0.786 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.377 -9.583 -2.308 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.465 -11.112 -2.577 1.00 0.00 H new ATOM 980 N THR A 62 -3.517 -7.300 4.799 1.00 0.00 N ATOM 981 CA THR A 62 -3.116 -6.595 6.012 1.00 0.00 C ATOM 982 C THR A 62 -3.367 -7.443 7.258 1.00 0.00 C ATOM 983 O THR A 62 -2.855 -7.138 8.336 1.00 0.00 O ATOM 984 CB THR A 62 -3.861 -5.265 6.131 1.00 0.00 C ATOM 985 OG1 THR A 62 -3.716 -4.727 7.432 1.00 0.00 O ATOM 986 CG2 THR A 62 -5.344 -5.379 5.845 1.00 0.00 C ATOM 0 H THR A 62 -4.291 -6.865 4.297 1.00 0.00 H new ATOM 0 HA THR A 62 -2.046 -6.401 5.940 1.00 0.00 H new ATOM 0 HB THR A 62 -3.413 -4.615 5.380 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.177 -3.863 7.482 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.811 -4.399 5.947 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.492 -5.747 4.830 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.799 -6.073 6.552 1.00 0.00 H new ATOM 994 N LYS A 63 -4.167 -8.494 7.115 1.00 0.00 N ATOM 995 CA LYS A 63 -4.486 -9.365 8.240 1.00 0.00 C ATOM 996 C LYS A 63 -3.479 -10.506 8.385 1.00 0.00 C ATOM 997 O LYS A 63 -2.747 -10.576 9.371 1.00 0.00 O ATOM 998 CB LYS A 63 -5.897 -9.937 8.078 1.00 0.00 C ATOM 999 CG LYS A 63 -6.535 -10.362 9.391 1.00 0.00 C ATOM 1000 CD LYS A 63 -7.967 -9.867 9.504 1.00 0.00 C ATOM 1001 CE LYS A 63 -8.445 -9.870 10.946 1.00 0.00 C ATOM 1002 NZ LYS A 63 -8.018 -8.645 11.677 1.00 0.00 N ATOM 0 H LYS A 63 -4.605 -8.763 6.234 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.435 -8.760 9.145 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.531 -9.189 7.601 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.857 -10.796 7.408 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.518 -11.449 9.469 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.949 -9.973 10.224 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.037 -8.858 9.098 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.620 -10.499 8.902 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.532 -9.945 10.968 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.055 -10.751 11.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.364 -8.687 12.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.980 -8.586 11.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.411 -7.805 11.206 1.00 0.00 H new ATOM 1016 N LYS A 64 -3.461 -11.409 7.408 1.00 0.00 N ATOM 1017 CA LYS A 64 -2.561 -12.560 7.439 1.00 0.00 C ATOM 1018 C LYS A 64 -1.213 -12.248 6.800 1.00 0.00 C ATOM 1019 O LYS A 64 -0.177 -12.273 7.463 1.00 0.00 O ATOM 1020 CB LYS A 64 -3.205 -13.751 6.729 1.00 0.00 C ATOM 1021 CG LYS A 64 -4.418 -14.311 7.456 1.00 0.00 C ATOM 1022 CD LYS A 64 -5.505 -14.743 6.483 1.00 0.00 C ATOM 1023 CE LYS A 64 -5.887 -16.202 6.683 1.00 0.00 C ATOM 1024 NZ LYS A 64 -6.872 -16.662 5.664 1.00 0.00 N ATOM 0 H LYS A 64 -4.060 -11.366 6.584 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.384 -12.807 8.486 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -3.502 -13.448 5.725 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.463 -14.541 6.617 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.116 -15.162 8.066 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.816 -13.557 8.135 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.385 -14.114 6.617 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.159 -14.594 5.460 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.992 -16.822 6.629 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.307 -16.334 7.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -7.107 -17.661 5.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.736 -16.087 5.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.462 -16.560 4.714 1.00 0.00 H new ATOM 1038 N MET A 65 -1.231 -11.968 5.502 1.00 0.00 N ATOM 1039 CA MET A 65 -0.009 -11.666 4.763 1.00 0.00 C ATOM 1040 C MET A 65 0.809 -10.568 5.445 1.00 0.00 C ATOM 1041 O MET A 65 2.010 -10.442 5.209 1.00 0.00 O ATOM 1042 CB MET A 65 -0.350 -11.251 3.329 1.00 0.00 C ATOM 1043 CG MET A 65 0.156 -12.225 2.279 1.00 0.00 C ATOM 1044 SD MET A 65 -0.855 -13.715 2.169 1.00 0.00 S ATOM 1045 CE MET A 65 0.202 -14.771 1.182 1.00 0.00 C ATOM 0 H MET A 65 -2.080 -11.944 4.938 1.00 0.00 H new ATOM 0 HA MET A 65 0.599 -12.571 4.745 1.00 0.00 H new ATOM 0 HB2 MET A 65 -1.432 -11.157 3.234 1.00 0.00 H new ATOM 0 HB3 MET A 65 0.074 -10.266 3.134 1.00 0.00 H new ATOM 0 HG2 MET A 65 0.173 -11.730 1.308 1.00 0.00 H new ATOM 0 HG3 MET A 65 1.183 -12.504 2.513 1.00 0.00 H new ATOM 0 HE1 MET A 65 -0.287 -15.733 1.027 1.00 0.00 H new ATOM 0 HE2 MET A 65 0.389 -14.299 0.217 1.00 0.00 H new ATOM 0 HE3 MET A 65 1.149 -14.925 1.700 1.00 0.00 H new ATOM 1055 N TRP A 66 0.154 -9.768 6.279 1.00 0.00 N ATOM 1056 CA TRP A 66 0.830 -8.683 6.975 1.00 0.00 C ATOM 1057 C TRP A 66 1.195 -9.065 8.409 1.00 0.00 C ATOM 1058 O TRP A 66 2.244 -8.668 8.917 1.00 0.00 O ATOM 1059 CB TRP A 66 -0.052 -7.436 6.976 1.00 0.00 C ATOM 1060 CG TRP A 66 0.583 -6.244 7.624 1.00 0.00 C ATOM 1061 CD1 TRP A 66 1.093 -5.145 6.996 1.00 0.00 C ATOM 1062 CD2 TRP A 66 0.767 -6.026 9.029 1.00 0.00 C ATOM 1063 NE1 TRP A 66 1.584 -4.257 7.922 1.00 0.00 N ATOM 1064 CE2 TRP A 66 1.397 -4.776 9.178 1.00 0.00 C ATOM 1065 CE3 TRP A 66 0.462 -6.767 10.175 1.00 0.00 C ATOM 1066 CZ2 TRP A 66 1.724 -4.252 10.427 1.00 0.00 C ATOM 1067 CZ3 TRP A 66 0.789 -6.245 11.411 1.00 0.00 C ATOM 1068 CH2 TRP A 66 1.415 -4.999 11.529 1.00 0.00 C ATOM 0 H TRP A 66 -0.841 -9.851 6.488 1.00 0.00 H new ATOM 0 HA TRP A 66 1.758 -8.476 6.442 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -0.309 -7.184 5.947 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -0.985 -7.663 7.491 1.00 0.00 H new ATOM 0 HD1 TRP A 66 1.108 -4.995 5.927 1.00 0.00 H new ATOM 0 HE1 TRP A 66 2.017 -3.358 7.710 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -0.020 -7.730 10.095 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 2.205 -3.289 10.521 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 0.557 -6.809 12.303 1.00 0.00 H new ATOM 0 HH2 TRP A 66 1.659 -4.620 12.511 1.00 0.00 H new ATOM 1079 N GLU A 67 0.317 -9.819 9.066 1.00 0.00 N ATOM 1080 CA GLU A 67 0.549 -10.227 10.451 1.00 0.00 C ATOM 1081 C GLU A 67 1.211 -11.599 10.543 1.00 0.00 C ATOM 1082 O GLU A 67 2.192 -11.774 11.267 1.00 0.00 O ATOM 1083 CB GLU A 67 -0.772 -10.240 11.223 1.00 0.00 C ATOM 1084 CG GLU A 67 -0.608 -9.983 12.712 1.00 0.00 C ATOM 1085 CD GLU A 67 -1.871 -10.278 13.496 1.00 0.00 C ATOM 1086 OE1 GLU A 67 -2.478 -11.345 13.265 1.00 0.00 O ATOM 1087 OE2 GLU A 67 -2.254 -9.443 14.343 1.00 0.00 O ATOM 0 H GLU A 67 -0.557 -10.159 8.665 1.00 0.00 H new ATOM 0 HA GLU A 67 1.230 -9.500 10.893 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.436 -9.485 10.803 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.257 -11.206 11.081 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.206 -10.598 13.096 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.322 -8.943 12.868 1.00 0.00 H new ATOM 1094 N ASN A 68 0.666 -12.573 9.823 1.00 0.00 N ATOM 1095 CA ASN A 68 1.203 -13.931 9.846 1.00 0.00 C ATOM 1096 C ASN A 68 2.431 -14.063 8.953 1.00 0.00 C ATOM 1097 O ASN A 68 3.304 -14.893 9.205 1.00 0.00 O ATOM 1098 CB ASN A 68 0.131 -14.929 9.405 1.00 0.00 C ATOM 1099 CG ASN A 68 -0.992 -15.058 10.415 1.00 0.00 C ATOM 1100 OD1 ASN A 68 -0.884 -14.584 11.546 1.00 0.00 O ATOM 1101 ND2 ASN A 68 -2.080 -15.705 10.012 1.00 0.00 N ATOM 0 H ASN A 68 -0.145 -12.450 9.217 1.00 0.00 H new ATOM 0 HA ASN A 68 1.505 -14.150 10.870 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -0.281 -14.615 8.446 1.00 0.00 H new ATOM 0 HB3 ASN A 68 0.590 -15.905 9.250 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -2.868 -15.824 10.649 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -2.128 -16.082 9.066 1.00 0.00 H new ATOM 1108 N ALA A 69 2.498 -13.244 7.910 1.00 0.00 N ATOM 1109 CA ALA A 69 3.629 -13.279 6.988 1.00 0.00 C ATOM 1110 C ALA A 69 4.518 -12.052 7.163 1.00 0.00 C ATOM 1111 O ALA A 69 4.048 -10.986 7.558 1.00 0.00 O ATOM 1112 CB ALA A 69 3.138 -13.390 5.554 1.00 0.00 C ATOM 0 H ALA A 69 1.786 -12.550 7.681 1.00 0.00 H new ATOM 0 HA ALA A 69 4.229 -14.159 7.218 1.00 0.00 H new ATOM 0 HB1 ALA A 69 3.992 -13.415 4.878 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.557 -14.305 5.438 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.512 -12.530 5.316 1.00 0.00 H new ATOM 1118 N LYS A 70 5.806 -12.212 6.872 1.00 0.00 N ATOM 1119 CA LYS A 70 6.761 -11.117 7.006 1.00 0.00 C ATOM 1120 C LYS A 70 6.985 -10.411 5.671 1.00 0.00 C ATOM 1121 O LYS A 70 7.799 -10.844 4.857 1.00 0.00 O ATOM 1122 CB LYS A 70 8.092 -11.640 7.545 1.00 0.00 C ATOM 1123 CG LYS A 70 8.048 -12.014 9.018 1.00 0.00 C ATOM 1124 CD LYS A 70 8.199 -10.790 9.907 1.00 0.00 C ATOM 1125 CE LYS A 70 8.248 -11.173 11.378 1.00 0.00 C ATOM 1126 NZ LYS A 70 9.145 -10.274 12.156 1.00 0.00 N ATOM 0 H LYS A 70 6.212 -13.088 6.542 1.00 0.00 H new ATOM 0 HA LYS A 70 6.345 -10.395 7.709 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.391 -12.514 6.966 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.859 -10.880 7.394 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.104 -12.512 9.240 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.844 -12.726 9.238 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.110 -10.254 9.639 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.366 -10.109 9.735 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.243 -11.134 11.797 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.594 -12.202 11.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.151 -10.568 13.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.110 -10.330 11.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.801 -9.295 12.086 1.00 0.00 H new ATOM 1140 N LYS A 71 6.261 -9.316 5.460 1.00 0.00 N ATOM 1141 CA LYS A 71 6.382 -8.540 4.232 1.00 0.00 C ATOM 1142 C LYS A 71 5.713 -7.179 4.388 1.00 0.00 C ATOM 1143 O LYS A 71 4.490 -7.066 4.298 1.00 0.00 O ATOM 1144 CB LYS A 71 5.751 -9.289 3.060 1.00 0.00 C ATOM 1145 CG LYS A 71 4.387 -9.877 3.379 1.00 0.00 C ATOM 1146 CD LYS A 71 4.439 -11.392 3.486 1.00 0.00 C ATOM 1147 CE LYS A 71 4.919 -12.030 2.192 1.00 0.00 C ATOM 1148 NZ LYS A 71 5.960 -13.066 2.434 1.00 0.00 N ATOM 0 H LYS A 71 5.583 -8.946 6.126 1.00 0.00 H new ATOM 0 HA LYS A 71 7.443 -8.392 4.031 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.655 -8.609 2.214 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.420 -10.092 2.750 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.020 -9.458 4.316 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.677 -9.591 2.603 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.104 -11.677 4.301 1.00 0.00 H new ATOM 0 HD3 LYS A 71 3.449 -11.774 3.735 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.072 -12.481 1.674 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.321 -11.259 1.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.260 -13.476 1.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.779 -12.632 2.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.570 -13.816 3.040 1.00 0.00 H new ATOM 1162 N ILE A 72 6.517 -6.151 4.629 1.00 0.00 N ATOM 1163 CA ILE A 72 5.992 -4.803 4.804 1.00 0.00 C ATOM 1164 C ILE A 72 6.869 -3.769 4.111 1.00 0.00 C ATOM 1165 O ILE A 72 7.950 -3.438 4.594 1.00 0.00 O ATOM 1166 CB ILE A 72 5.869 -4.433 6.296 1.00 0.00 C ATOM 1167 CG1 ILE A 72 7.035 -5.018 7.106 1.00 0.00 C ATOM 1168 CG2 ILE A 72 4.528 -4.899 6.848 1.00 0.00 C ATOM 1169 CD1 ILE A 72 6.937 -6.510 7.358 1.00 0.00 C ATOM 0 H ILE A 72 7.531 -6.224 4.707 1.00 0.00 H new ATOM 0 HA ILE A 72 5.001 -4.796 4.350 1.00 0.00 H new ATOM 0 HB ILE A 72 5.917 -3.348 6.387 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.967 -4.811 6.580 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.090 -4.503 8.065 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.455 -4.631 7.902 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.720 -4.419 6.295 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.447 -5.981 6.742 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.801 -6.839 7.936 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.025 -6.726 7.914 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.915 -7.039 6.405 1.00 0.00 H new ATOM 1181 N GLU A 73 6.395 -3.257 2.978 1.00 0.00 N ATOM 1182 CA GLU A 73 7.145 -2.253 2.225 1.00 0.00 C ATOM 1183 C GLU A 73 6.277 -1.038 1.906 1.00 0.00 C ATOM 1184 O GLU A 73 5.062 -1.061 2.100 1.00 0.00 O ATOM 1185 CB GLU A 73 7.689 -2.859 0.931 1.00 0.00 C ATOM 1186 CG GLU A 73 8.589 -4.063 1.153 1.00 0.00 C ATOM 1187 CD GLU A 73 9.890 -3.971 0.379 1.00 0.00 C ATOM 1188 OE1 GLU A 73 10.540 -2.906 0.434 1.00 0.00 O ATOM 1189 OE2 GLU A 73 10.260 -4.965 -0.281 1.00 0.00 O ATOM 0 H GLU A 73 5.501 -3.518 2.562 1.00 0.00 H new ATOM 0 HA GLU A 73 7.978 -1.923 2.845 1.00 0.00 H new ATOM 0 HB2 GLU A 73 6.852 -3.154 0.298 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.246 -2.095 0.388 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.809 -4.156 2.216 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.058 -4.968 0.857 1.00 0.00 H new ATOM 1196 N VAL A 74 6.913 0.023 1.412 1.00 0.00 N ATOM 1197 CA VAL A 74 6.207 1.250 1.057 1.00 0.00 C ATOM 1198 C VAL A 74 6.289 1.509 -0.446 1.00 0.00 C ATOM 1199 O VAL A 74 7.279 1.159 -1.087 1.00 0.00 O ATOM 1200 CB VAL A 74 6.784 2.465 1.807 1.00 0.00 C ATOM 1201 CG1 VAL A 74 5.913 3.694 1.592 1.00 0.00 C ATOM 1202 CG2 VAL A 74 6.927 2.158 3.290 1.00 0.00 C ATOM 0 H VAL A 74 7.919 0.056 1.249 1.00 0.00 H new ATOM 0 HA VAL A 74 5.165 1.115 1.347 1.00 0.00 H new ATOM 0 HB VAL A 74 7.774 2.678 1.405 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.339 4.541 2.131 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.868 3.926 0.528 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.907 3.497 1.963 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.336 3.028 3.804 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.950 1.916 3.707 1.00 0.00 H new ATOM 0 HG23 VAL A 74 7.598 1.309 3.423 1.00 0.00 H new ATOM 1212 N GLU A 75 5.244 2.111 -1.006 1.00 0.00 N ATOM 1213 CA GLU A 75 5.210 2.399 -2.436 1.00 0.00 C ATOM 1214 C GLU A 75 5.301 3.898 -2.710 1.00 0.00 C ATOM 1215 O GLU A 75 6.307 4.382 -3.227 1.00 0.00 O ATOM 1216 CB GLU A 75 3.934 1.833 -3.063 1.00 0.00 C ATOM 1217 CG GLU A 75 4.118 1.359 -4.495 1.00 0.00 C ATOM 1218 CD GLU A 75 2.801 1.176 -5.223 1.00 0.00 C ATOM 1219 OE1 GLU A 75 2.014 2.144 -5.276 1.00 0.00 O ATOM 1220 OE2 GLU A 75 2.557 0.065 -5.741 1.00 0.00 O ATOM 0 H GLU A 75 4.413 2.408 -0.494 1.00 0.00 H new ATOM 0 HA GLU A 75 6.078 1.919 -2.888 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.580 1.000 -2.456 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.157 2.598 -3.039 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.731 2.080 -5.036 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.662 0.415 -4.494 1.00 0.00 H new ATOM 1227 N PHE A 76 4.240 4.627 -2.373 1.00 0.00 N ATOM 1228 CA PHE A 76 4.206 6.068 -2.601 1.00 0.00 C ATOM 1229 C PHE A 76 4.270 6.841 -1.286 1.00 0.00 C ATOM 1230 O PHE A 76 3.383 6.724 -0.440 1.00 0.00 O ATOM 1231 CB PHE A 76 2.938 6.451 -3.370 1.00 0.00 C ATOM 1232 CG PHE A 76 3.206 6.944 -4.762 1.00 0.00 C ATOM 1233 CD1 PHE A 76 4.221 7.855 -5.006 1.00 0.00 C ATOM 1234 CD2 PHE A 76 2.444 6.495 -5.830 1.00 0.00 C ATOM 1235 CE1 PHE A 76 4.469 8.311 -6.288 1.00 0.00 C ATOM 1236 CE2 PHE A 76 2.687 6.947 -7.112 1.00 0.00 C ATOM 1237 CZ PHE A 76 3.702 7.856 -7.341 1.00 0.00 C ATOM 0 H PHE A 76 3.397 4.246 -1.943 1.00 0.00 H new ATOM 0 HA PHE A 76 5.082 6.333 -3.193 1.00 0.00 H new ATOM 0 HB2 PHE A 76 2.278 5.585 -3.421 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.406 7.224 -2.816 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.825 8.213 -4.186 1.00 0.00 H new ATOM 0 HD2 PHE A 76 1.651 5.783 -5.657 1.00 0.00 H new ATOM 0 HE1 PHE A 76 5.262 9.022 -6.465 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.085 6.591 -7.934 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.895 8.210 -8.343 1.00 0.00 H new ATOM 1247 N ASP A 77 5.322 7.637 -1.129 1.00 0.00 N ATOM 1248 CA ASP A 77 5.501 8.441 0.072 1.00 0.00 C ATOM 1249 C ASP A 77 5.168 9.902 -0.210 1.00 0.00 C ATOM 1250 O ASP A 77 6.029 10.674 -0.634 1.00 0.00 O ATOM 1251 CB ASP A 77 6.939 8.321 0.580 1.00 0.00 C ATOM 1252 CG ASP A 77 7.043 8.537 2.078 1.00 0.00 C ATOM 1253 OD1 ASP A 77 6.312 9.401 2.605 1.00 0.00 O ATOM 1254 OD2 ASP A 77 7.858 7.841 2.723 1.00 0.00 O ATOM 0 H ASP A 77 6.064 7.742 -1.820 1.00 0.00 H new ATOM 0 HA ASP A 77 4.822 8.070 0.840 1.00 0.00 H new ATOM 0 HB2 ASP A 77 7.329 7.334 0.330 1.00 0.00 H new ATOM 0 HB3 ASP A 77 7.565 9.050 0.066 1.00 0.00 H new ATOM 1259 N LYS A 78 3.914 10.275 0.020 1.00 0.00 N ATOM 1260 CA LYS A 78 3.469 11.643 -0.218 1.00 0.00 C ATOM 1261 C LYS A 78 4.240 12.631 0.657 1.00 0.00 C ATOM 1262 O LYS A 78 5.215 13.234 0.211 1.00 0.00 O ATOM 1263 CB LYS A 78 1.965 11.765 0.038 1.00 0.00 C ATOM 1264 CG LYS A 78 1.116 10.965 -0.937 1.00 0.00 C ATOM 1265 CD LYS A 78 0.545 11.845 -2.037 1.00 0.00 C ATOM 1266 CE LYS A 78 0.814 11.261 -3.416 1.00 0.00 C ATOM 1267 NZ LYS A 78 0.629 12.273 -4.494 1.00 0.00 N ATOM 0 H LYS A 78 3.188 9.650 0.371 1.00 0.00 H new ATOM 0 HA LYS A 78 3.669 11.888 -1.261 1.00 0.00 H new ATOM 0 HB2 LYS A 78 1.749 11.432 1.053 1.00 0.00 H new ATOM 0 HB3 LYS A 78 1.679 12.815 -0.020 1.00 0.00 H new ATOM 0 HG2 LYS A 78 1.720 10.173 -1.381 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.301 10.481 -0.398 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.529 11.959 -1.892 1.00 0.00 H new ATOM 0 HD3 LYS A 78 0.983 12.841 -1.971 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.832 10.873 -3.453 1.00 0.00 H new ATOM 0 HE3 LYS A 78 0.145 10.419 -3.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 0.997 11.896 -5.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -0.383 12.488 -4.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 1.144 13.142 -4.246 1.00 0.00 H new ATOM 1281 N GLY A 79 3.799 12.792 1.901 1.00 0.00 N ATOM 1282 CA GLY A 79 4.463 13.707 2.810 1.00 0.00 C ATOM 1283 C GLY A 79 3.864 15.102 2.779 1.00 0.00 C ATOM 1284 O GLY A 79 3.904 15.822 3.777 1.00 0.00 O ATOM 0 H GLY A 79 2.994 12.305 2.295 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.403 13.313 3.824 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.521 13.764 2.553 1.00 0.00 H new ATOM 1288 N GLN A 80 3.309 15.486 1.632 1.00 0.00 N ATOM 1289 CA GLN A 80 2.702 16.804 1.480 1.00 0.00 C ATOM 1290 C GLN A 80 1.187 16.693 1.348 1.00 0.00 C ATOM 1291 O GLN A 80 0.446 17.521 1.878 1.00 0.00 O ATOM 1292 CB GLN A 80 3.285 17.518 0.258 1.00 0.00 C ATOM 1293 CG GLN A 80 4.375 18.519 0.602 1.00 0.00 C ATOM 1294 CD GLN A 80 4.435 19.677 -0.376 1.00 0.00 C ATOM 1295 OE1 GLN A 80 3.470 20.425 -0.531 1.00 0.00 O ATOM 1296 NE2 GLN A 80 5.573 19.828 -1.044 1.00 0.00 N ATOM 0 H GLN A 80 3.267 14.903 0.796 1.00 0.00 H new ATOM 0 HA GLN A 80 2.927 17.387 2.373 1.00 0.00 H new ATOM 0 HB2 GLN A 80 3.690 16.774 -0.428 1.00 0.00 H new ATOM 0 HB3 GLN A 80 2.482 18.034 -0.268 1.00 0.00 H new ATOM 0 HG2 GLN A 80 4.204 18.906 1.607 1.00 0.00 H new ATOM 0 HG3 GLN A 80 5.339 18.010 0.616 1.00 0.00 H new ATOM 0 HE21 GLN A 80 6.348 19.184 -0.884 1.00 0.00 H new ATOM 0 HE22 GLN A 80 5.672 20.588 -1.717 1.00 0.00 H new ATOM 1305 N ARG A 81 0.732 15.667 0.636 1.00 0.00 N ATOM 1306 CA ARG A 81 -0.697 15.452 0.434 1.00 0.00 C ATOM 1307 C ARG A 81 -1.343 14.878 1.694 1.00 0.00 C ATOM 1308 O ARG A 81 -1.855 13.758 1.688 1.00 0.00 O ATOM 1309 CB ARG A 81 -0.930 14.518 -0.755 1.00 0.00 C ATOM 1310 CG ARG A 81 -2.080 14.949 -1.652 1.00 0.00 C ATOM 1311 CD ARG A 81 -2.306 13.961 -2.785 1.00 0.00 C ATOM 1312 NE ARG A 81 -2.628 14.633 -4.042 1.00 0.00 N ATOM 1313 CZ ARG A 81 -3.798 15.218 -4.291 1.00 0.00 C ATOM 1314 NH1 ARG A 81 -4.757 15.219 -3.373 1.00 0.00 N ATOM 1315 NH2 ARG A 81 -4.009 15.806 -5.461 1.00 0.00 N ATOM 0 H ARG A 81 1.331 14.972 0.190 1.00 0.00 H new ATOM 0 HA ARG A 81 -1.161 16.415 0.221 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -0.017 14.465 -1.349 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.127 13.513 -0.383 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.991 15.039 -1.060 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.870 15.936 -2.065 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -1.412 13.352 -2.918 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.117 13.283 -2.518 1.00 0.00 H new ATOM 0 HE ARG A 81 -1.915 14.655 -4.771 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.600 14.770 -2.471 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -5.651 15.669 -3.570 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -3.275 15.810 -6.170 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -4.905 16.254 -5.652 1.00 0.00 H new ATOM 1329 N THR A 82 -1.314 15.655 2.771 1.00 0.00 N ATOM 1330 CA THR A 82 -1.896 15.227 4.039 1.00 0.00 C ATOM 1331 C THR A 82 -3.375 15.592 4.104 1.00 0.00 C ATOM 1332 O THR A 82 -3.810 16.567 3.494 1.00 0.00 O ATOM 1333 CB THR A 82 -1.152 15.871 5.209 1.00 0.00 C ATOM 1334 OG1 THR A 82 -1.549 17.221 5.373 1.00 0.00 O ATOM 1335 CG2 THR A 82 0.354 15.853 5.047 1.00 0.00 C ATOM 0 H THR A 82 -0.894 16.584 2.792 1.00 0.00 H new ATOM 0 HA THR A 82 -1.800 14.143 4.108 1.00 0.00 H new ATOM 0 HB THR A 82 -1.414 15.272 6.081 1.00 0.00 H new ATOM 0 HG1 THR A 82 -1.063 17.615 6.127 1.00 0.00 H new ATOM 0 HG21 THR A 82 0.819 16.326 5.912 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.699 14.822 4.968 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.629 16.398 4.144 1.00 0.00 H new ATOM 1343 N ASP A 83 -4.147 14.804 4.847 1.00 0.00 N ATOM 1344 CA ASP A 83 -5.576 15.055 4.986 1.00 0.00 C ATOM 1345 C ASP A 83 -5.937 15.414 6.424 1.00 0.00 C ATOM 1346 O ASP A 83 -6.585 16.431 6.673 1.00 0.00 O ATOM 1347 CB ASP A 83 -6.375 13.829 4.541 1.00 0.00 C ATOM 1348 CG ASP A 83 -7.862 14.109 4.453 1.00 0.00 C ATOM 1349 OD1 ASP A 83 -8.478 14.385 5.504 1.00 0.00 O ATOM 1350 OD2 ASP A 83 -8.412 14.050 3.333 1.00 0.00 O ATOM 0 H ASP A 83 -3.808 13.990 5.360 1.00 0.00 H new ATOM 0 HA ASP A 83 -5.830 15.902 4.348 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -6.013 13.496 3.568 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -6.203 13.012 5.242 1.00 0.00 H new ATOM 1355 N LYS A 84 -5.513 14.579 7.369 1.00 0.00 N ATOM 1356 CA LYS A 84 -5.796 14.825 8.780 1.00 0.00 C ATOM 1357 C LYS A 84 -4.527 15.189 9.544 1.00 0.00 C ATOM 1358 O LYS A 84 -4.398 16.298 10.062 1.00 0.00 O ATOM 1359 CB LYS A 84 -6.450 13.593 9.410 1.00 0.00 C ATOM 1360 CG LYS A 84 -7.964 13.698 9.523 1.00 0.00 C ATOM 1361 CD LYS A 84 -8.663 12.598 8.741 1.00 0.00 C ATOM 1362 CE LYS A 84 -10.035 13.042 8.254 1.00 0.00 C ATOM 1363 NZ LYS A 84 -11.122 12.182 8.798 1.00 0.00 N ATOM 0 H LYS A 84 -4.976 13.732 7.185 1.00 0.00 H new ATOM 0 HA LYS A 84 -6.483 15.669 8.842 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -6.198 12.715 8.816 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -6.030 13.437 10.404 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -8.256 13.641 10.572 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -8.290 14.670 9.154 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -8.049 12.311 7.888 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -8.768 11.714 9.370 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -10.208 14.077 8.550 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -10.060 13.014 7.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -12.040 12.517 8.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -10.971 11.199 8.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -11.115 12.229 9.837 1.00 0.00 H new ATOM 1377 N TYR A 85 -3.592 14.246 9.613 1.00 0.00 N ATOM 1378 CA TYR A 85 -2.332 14.466 10.316 1.00 0.00 C ATOM 1379 C TYR A 85 -1.139 13.993 9.486 1.00 0.00 C ATOM 1380 O TYR A 85 -0.024 13.884 9.997 1.00 0.00 O ATOM 1381 CB TYR A 85 -2.348 13.747 11.666 1.00 0.00 C ATOM 1382 CG TYR A 85 -2.383 14.686 12.853 1.00 0.00 C ATOM 1383 CD1 TYR A 85 -3.473 15.518 13.070 1.00 0.00 C ATOM 1384 CD2 TYR A 85 -1.327 14.737 13.754 1.00 0.00 C ATOM 1385 CE1 TYR A 85 -3.511 16.378 14.152 1.00 0.00 C ATOM 1386 CE2 TYR A 85 -1.357 15.594 14.838 1.00 0.00 C ATOM 1387 CZ TYR A 85 -2.450 16.411 15.032 1.00 0.00 C ATOM 1388 OH TYR A 85 -2.483 17.266 16.111 1.00 0.00 O ATOM 0 H TYR A 85 -3.683 13.322 9.191 1.00 0.00 H new ATOM 0 HA TYR A 85 -2.225 15.538 10.480 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -3.217 13.090 11.708 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -1.465 13.113 11.741 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -4.305 15.493 12.382 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -0.470 14.097 13.605 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -4.366 17.020 14.307 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -0.528 15.623 15.530 1.00 0.00 H new ATOM 0 HH TYR A 85 -1.660 17.166 16.633 1.00 0.00 H new ATOM 1398 N GLY A 86 -1.374 13.710 8.207 1.00 0.00 N ATOM 1399 CA GLY A 86 -0.300 13.249 7.344 1.00 0.00 C ATOM 1400 C GLY A 86 -0.643 11.967 6.604 1.00 0.00 C ATOM 1401 O GLY A 86 0.176 11.448 5.846 1.00 0.00 O ATOM 0 H GLY A 86 -2.285 13.791 7.755 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -0.063 14.028 6.619 1.00 0.00 H new ATOM 0 HA3 GLY A 86 0.596 13.088 7.943 1.00 0.00 H new ATOM 1405 N ARG A 87 -1.851 11.454 6.821 1.00 0.00 N ATOM 1406 CA ARG A 87 -2.285 10.226 6.163 1.00 0.00 C ATOM 1407 C ARG A 87 -3.325 10.521 5.088 1.00 0.00 C ATOM 1408 O ARG A 87 -4.509 10.693 5.382 1.00 0.00 O ATOM 1409 CB ARG A 87 -2.858 9.246 7.191 1.00 0.00 C ATOM 1410 CG ARG A 87 -4.084 9.773 7.924 1.00 0.00 C ATOM 1411 CD ARG A 87 -4.292 9.058 9.250 1.00 0.00 C ATOM 1412 NE ARG A 87 -5.463 8.184 9.222 1.00 0.00 N ATOM 1413 CZ ARG A 87 -6.008 7.640 10.307 1.00 0.00 C ATOM 1414 NH1 ARG A 87 -5.492 7.876 11.507 1.00 0.00 N ATOM 1415 NH2 ARG A 87 -7.074 6.859 10.195 1.00 0.00 N ATOM 0 H ARG A 87 -2.544 11.868 7.445 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.416 9.773 5.685 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -3.120 8.316 6.686 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -2.085 9.006 7.921 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.972 10.843 8.100 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.967 9.644 7.298 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -3.406 8.470 9.488 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -4.408 9.795 10.045 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.887 7.979 8.317 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -4.673 8.477 11.601 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -5.914 7.456 12.335 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -7.477 6.675 9.276 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -7.491 6.443 11.028 1.00 0.00 H new ATOM 1429 N GLY A 88 -2.875 10.576 3.838 1.00 0.00 N ATOM 1430 CA GLY A 88 -3.776 10.847 2.733 1.00 0.00 C ATOM 1431 C GLY A 88 -3.849 9.691 1.754 1.00 0.00 C ATOM 1432 O GLY A 88 -4.732 8.840 1.853 1.00 0.00 O ATOM 0 H GLY A 88 -1.900 10.437 3.571 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -4.773 11.054 3.122 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -3.446 11.744 2.209 1.00 0.00 H new ATOM 1436 N LEU A 89 -2.917 9.660 0.807 1.00 0.00 N ATOM 1437 CA LEU A 89 -2.876 8.599 -0.192 1.00 0.00 C ATOM 1438 C LEU A 89 -1.793 7.581 0.148 1.00 0.00 C ATOM 1439 O LEU A 89 -0.610 7.816 -0.097 1.00 0.00 O ATOM 1440 CB LEU A 89 -2.624 9.186 -1.582 1.00 0.00 C ATOM 1441 CG LEU A 89 -2.882 8.229 -2.747 1.00 0.00 C ATOM 1442 CD1 LEU A 89 -4.352 7.846 -2.806 1.00 0.00 C ATOM 1443 CD2 LEU A 89 -2.438 8.855 -4.060 1.00 0.00 C ATOM 0 H LEU A 89 -2.180 10.358 0.711 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.841 8.093 -0.192 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.255 10.065 -1.708 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.590 9.526 -1.634 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.298 7.323 -2.585 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.517 7.165 -3.641 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -4.638 7.356 -1.875 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.956 8.743 -2.944 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.629 8.160 -4.878 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.994 9.777 -4.230 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.372 9.078 -4.015 1.00 0.00 H new ATOM 1455 N ALA A 90 -2.203 6.450 0.717 1.00 0.00 N ATOM 1456 CA ALA A 90 -1.261 5.403 1.090 1.00 0.00 C ATOM 1457 C ALA A 90 -1.918 4.026 1.069 1.00 0.00 C ATOM 1458 O ALA A 90 -3.052 3.859 1.519 1.00 0.00 O ATOM 1459 CB ALA A 90 -0.678 5.694 2.464 1.00 0.00 C ATOM 0 H ALA A 90 -3.178 6.237 0.928 1.00 0.00 H new ATOM 0 HA ALA A 90 -0.456 5.394 0.355 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.025 4.906 2.735 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -0.159 6.652 2.444 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -1.481 5.732 3.200 1.00 0.00 H new ATOM 1465 N TYR A 91 -1.195 3.046 0.538 1.00 0.00 N ATOM 1466 CA TYR A 91 -1.694 1.677 0.446 1.00 0.00 C ATOM 1467 C TYR A 91 -0.573 0.677 0.713 1.00 0.00 C ATOM 1468 O TYR A 91 0.450 0.683 0.027 1.00 0.00 O ATOM 1469 CB TYR A 91 -2.306 1.422 -0.938 1.00 0.00 C ATOM 1470 CG TYR A 91 -2.070 2.549 -1.918 1.00 0.00 C ATOM 1471 CD1 TYR A 91 -2.859 3.691 -1.892 1.00 0.00 C ATOM 1472 CD2 TYR A 91 -1.052 2.476 -2.861 1.00 0.00 C ATOM 1473 CE1 TYR A 91 -2.643 4.729 -2.776 1.00 0.00 C ATOM 1474 CE2 TYR A 91 -0.828 3.511 -3.749 1.00 0.00 C ATOM 1475 CZ TYR A 91 -1.626 4.635 -3.704 1.00 0.00 C ATOM 1476 OH TYR A 91 -1.408 5.667 -4.586 1.00 0.00 O ATOM 0 H TYR A 91 -0.255 3.175 0.162 1.00 0.00 H new ATOM 0 HA TYR A 91 -2.467 1.545 1.203 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -1.889 0.502 -1.347 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.379 1.265 -0.829 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -3.656 3.769 -1.167 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -0.426 1.597 -2.901 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -3.267 5.610 -2.742 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -0.032 3.440 -4.475 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.655 5.443 -5.172 1.00 0.00 H new ATOM 1486 N ILE A 92 -0.766 -0.175 1.713 1.00 0.00 N ATOM 1487 CA ILE A 92 0.236 -1.173 2.070 1.00 0.00 C ATOM 1488 C ILE A 92 0.026 -2.470 1.295 1.00 0.00 C ATOM 1489 O ILE A 92 -1.100 -2.821 0.947 1.00 0.00 O ATOM 1490 CB ILE A 92 0.210 -1.481 3.580 1.00 0.00 C ATOM 1491 CG1 ILE A 92 -1.163 -2.023 3.991 1.00 0.00 C ATOM 1492 CG2 ILE A 92 0.553 -0.236 4.381 1.00 0.00 C ATOM 1493 CD1 ILE A 92 -1.090 -3.152 4.996 1.00 0.00 C ATOM 0 H ILE A 92 -1.606 -0.195 2.291 1.00 0.00 H new ATOM 0 HA ILE A 92 1.206 -0.751 1.808 1.00 0.00 H new ATOM 0 HB ILE A 92 0.959 -2.244 3.791 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.755 -1.210 4.412 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -1.688 -2.372 3.102 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.530 -0.470 5.445 1.00 0.00 H new ATOM 0 HG22 ILE A 92 1.550 0.110 4.107 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.175 0.547 4.166 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.098 -3.486 5.241 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.526 -3.982 4.571 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.593 -2.802 5.901 1.00 0.00 H new ATOM 1505 N TYR A 93 1.119 -3.182 1.037 1.00 0.00 N ATOM 1506 CA TYR A 93 1.051 -4.448 0.313 1.00 0.00 C ATOM 1507 C TYR A 93 1.961 -5.492 0.948 1.00 0.00 C ATOM 1508 O TYR A 93 2.787 -5.176 1.805 1.00 0.00 O ATOM 1509 CB TYR A 93 1.419 -4.268 -1.163 1.00 0.00 C ATOM 1510 CG TYR A 93 2.472 -3.215 -1.429 1.00 0.00 C ATOM 1511 CD1 TYR A 93 3.538 -3.029 -0.560 1.00 0.00 C ATOM 1512 CD2 TYR A 93 2.402 -2.416 -2.564 1.00 0.00 C ATOM 1513 CE1 TYR A 93 4.505 -2.074 -0.815 1.00 0.00 C ATOM 1514 CE2 TYR A 93 3.363 -1.460 -2.822 1.00 0.00 C ATOM 1515 CZ TYR A 93 4.413 -1.294 -1.946 1.00 0.00 C ATOM 1516 OH TYR A 93 5.375 -0.345 -2.204 1.00 0.00 O ATOM 0 H TYR A 93 2.060 -2.905 1.317 1.00 0.00 H new ATOM 0 HA TYR A 93 0.020 -4.797 0.372 1.00 0.00 H new ATOM 0 HB2 TYR A 93 1.772 -5.222 -1.554 1.00 0.00 H new ATOM 0 HB3 TYR A 93 0.518 -4.010 -1.719 1.00 0.00 H new ATOM 0 HD1 TYR A 93 3.613 -3.639 0.328 1.00 0.00 H new ATOM 0 HD2 TYR A 93 1.582 -2.545 -3.255 1.00 0.00 H new ATOM 0 HE1 TYR A 93 5.329 -1.940 -0.130 1.00 0.00 H new ATOM 0 HE2 TYR A 93 3.292 -0.845 -3.707 1.00 0.00 H new ATOM 0 HH TYR A 93 6.216 -0.606 -1.774 1.00 0.00 H new ATOM 1526 N ALA A 94 1.795 -6.742 0.526 1.00 0.00 N ATOM 1527 CA ALA A 94 2.588 -7.842 1.055 1.00 0.00 C ATOM 1528 C ALA A 94 3.815 -8.121 0.190 1.00 0.00 C ATOM 1529 O ALA A 94 3.723 -8.786 -0.842 1.00 0.00 O ATOM 1530 CB ALA A 94 1.734 -9.094 1.172 1.00 0.00 C ATOM 0 H ALA A 94 1.115 -7.017 -0.183 1.00 0.00 H new ATOM 0 HA ALA A 94 2.940 -7.551 2.045 1.00 0.00 H new ATOM 0 HB1 ALA A 94 2.338 -9.910 1.569 1.00 0.00 H new ATOM 0 HB2 ALA A 94 0.897 -8.902 1.843 1.00 0.00 H new ATOM 0 HB3 ALA A 94 1.354 -9.369 0.188 1.00 0.00 H new ATOM 1536 N ASP A 95 4.964 -7.615 0.629 1.00 0.00 N ATOM 1537 CA ASP A 95 6.227 -7.813 -0.085 1.00 0.00 C ATOM 1538 C ASP A 95 6.313 -6.911 -1.308 1.00 0.00 C ATOM 1539 O ASP A 95 7.080 -7.172 -2.235 1.00 0.00 O ATOM 1540 CB ASP A 95 6.388 -9.278 -0.502 1.00 0.00 C ATOM 1541 CG ASP A 95 7.790 -9.798 -0.251 1.00 0.00 C ATOM 1542 OD1 ASP A 95 8.744 -8.996 -0.333 1.00 0.00 O ATOM 1543 OD2 ASP A 95 7.934 -11.006 0.028 1.00 0.00 O ATOM 0 H ASP A 95 5.049 -7.061 1.481 1.00 0.00 H new ATOM 0 HA ASP A 95 7.037 -7.549 0.595 1.00 0.00 H new ATOM 0 HB2 ASP A 95 5.672 -9.890 0.047 1.00 0.00 H new ATOM 0 HB3 ASP A 95 6.149 -9.380 -1.561 1.00 0.00 H new ATOM 1548 N GLY A 96 5.522 -5.844 -1.301 1.00 0.00 N ATOM 1549 CA GLY A 96 5.518 -4.906 -2.413 1.00 0.00 C ATOM 1550 C GLY A 96 5.483 -5.593 -3.765 1.00 0.00 C ATOM 1551 O GLY A 96 6.329 -5.336 -4.622 1.00 0.00 O ATOM 0 H GLY A 96 4.881 -5.610 -0.543 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.654 -4.248 -2.323 1.00 0.00 H new ATOM 0 HA3 GLY A 96 6.406 -4.276 -2.354 1.00 0.00 H new ATOM 1555 N LYS A 97 4.504 -6.470 -3.957 1.00 0.00 N ATOM 1556 CA LYS A 97 4.364 -7.195 -5.213 1.00 0.00 C ATOM 1557 C LYS A 97 3.544 -6.392 -6.217 1.00 0.00 C ATOM 1558 O LYS A 97 2.315 -6.374 -6.158 1.00 0.00 O ATOM 1559 CB LYS A 97 3.711 -8.557 -4.969 1.00 0.00 C ATOM 1560 CG LYS A 97 4.439 -9.711 -5.640 1.00 0.00 C ATOM 1561 CD LYS A 97 3.756 -10.123 -6.935 1.00 0.00 C ATOM 1562 CE LYS A 97 2.693 -11.182 -6.692 1.00 0.00 C ATOM 1563 NZ LYS A 97 2.667 -12.203 -7.774 1.00 0.00 N ATOM 0 H LYS A 97 3.796 -6.696 -3.258 1.00 0.00 H new ATOM 0 HA LYS A 97 5.360 -7.349 -5.629 1.00 0.00 H new ATOM 0 HB2 LYS A 97 3.666 -8.742 -3.896 1.00 0.00 H new ATOM 0 HB3 LYS A 97 2.683 -8.528 -5.331 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.469 -9.422 -5.847 1.00 0.00 H new ATOM 0 HG3 LYS A 97 4.477 -10.563 -4.961 1.00 0.00 H new ATOM 0 HD2 LYS A 97 3.301 -9.249 -7.401 1.00 0.00 H new ATOM 0 HD3 LYS A 97 4.500 -10.506 -7.634 1.00 0.00 H new ATOM 0 HE2 LYS A 97 2.880 -11.671 -5.736 1.00 0.00 H new ATOM 0 HE3 LYS A 97 1.716 -10.705 -6.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 1.929 -12.906 -7.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 2.463 -11.741 -8.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 3.591 -12.677 -7.827 1.00 0.00 H new ATOM 1577 N MET A 98 4.235 -5.729 -7.139 1.00 0.00 N ATOM 1578 CA MET A 98 3.572 -4.924 -8.159 1.00 0.00 C ATOM 1579 C MET A 98 3.288 -5.756 -9.406 1.00 0.00 C ATOM 1580 O MET A 98 4.131 -6.534 -9.851 1.00 0.00 O ATOM 1581 CB MET A 98 4.435 -3.712 -8.521 1.00 0.00 C ATOM 1582 CG MET A 98 3.783 -2.380 -8.190 1.00 0.00 C ATOM 1583 SD MET A 98 2.252 -2.111 -9.103 1.00 0.00 S ATOM 1584 CE MET A 98 1.048 -2.199 -7.781 1.00 0.00 C ATOM 0 H MET A 98 5.253 -5.733 -7.201 1.00 0.00 H new ATOM 0 HA MET A 98 2.622 -4.575 -7.754 1.00 0.00 H new ATOM 0 HB2 MET A 98 5.386 -3.783 -7.993 1.00 0.00 H new ATOM 0 HB3 MET A 98 4.660 -3.742 -9.587 1.00 0.00 H new ATOM 0 HG2 MET A 98 3.576 -2.337 -7.121 1.00 0.00 H new ATOM 0 HG3 MET A 98 4.481 -1.573 -8.413 1.00 0.00 H new ATOM 0 HE1 MET A 98 0.134 -2.662 -8.152 1.00 0.00 H new ATOM 0 HE2 MET A 98 1.450 -2.795 -6.962 1.00 0.00 H new ATOM 0 HE3 MET A 98 0.826 -1.194 -7.423 1.00 0.00 H new ATOM 1594 N VAL A 99 2.093 -5.586 -9.964 1.00 0.00 N ATOM 1595 CA VAL A 99 1.698 -6.321 -11.159 1.00 0.00 C ATOM 1596 C VAL A 99 1.750 -5.428 -12.396 1.00 0.00 C ATOM 1597 O VAL A 99 0.781 -4.741 -12.720 1.00 0.00 O ATOM 1598 CB VAL A 99 0.279 -6.906 -11.021 1.00 0.00 C ATOM 1599 CG1 VAL A 99 0.303 -8.169 -10.174 1.00 0.00 C ATOM 1600 CG2 VAL A 99 -0.673 -5.876 -10.429 1.00 0.00 C ATOM 0 H VAL A 99 1.383 -4.946 -9.608 1.00 0.00 H new ATOM 0 HA VAL A 99 2.408 -7.140 -11.273 1.00 0.00 H new ATOM 0 HB VAL A 99 -0.082 -7.168 -12.015 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -0.708 -8.568 -10.087 1.00 0.00 H new ATOM 0 HG12 VAL A 99 0.947 -8.911 -10.646 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.687 -7.934 -9.181 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.669 -6.310 -10.340 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.318 -5.577 -9.443 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -0.714 -5.002 -11.080 1.00 0.00 H new ATOM 1610 N ASN A 100 2.888 -5.445 -13.082 1.00 0.00 N ATOM 1611 CA ASN A 100 3.068 -4.638 -14.283 1.00 0.00 C ATOM 1612 C ASN A 100 4.338 -5.040 -15.024 1.00 0.00 C ATOM 1613 O ASN A 100 4.351 -5.125 -16.253 1.00 0.00 O ATOM 1614 CB ASN A 100 3.124 -3.152 -13.922 1.00 0.00 C ATOM 1615 CG ASN A 100 4.140 -2.859 -12.836 1.00 0.00 C ATOM 1616 OD1 ASN A 100 4.085 -3.431 -11.746 1.00 0.00 O ATOM 1617 ND2 ASN A 100 5.076 -1.963 -13.128 1.00 0.00 N ATOM 0 H ASN A 100 3.699 -6.009 -12.827 1.00 0.00 H new ATOM 0 HA ASN A 100 2.215 -4.814 -14.938 1.00 0.00 H new ATOM 0 HB2 ASN A 100 3.371 -2.574 -14.812 1.00 0.00 H new ATOM 0 HB3 ASN A 100 2.138 -2.824 -13.592 1.00 0.00 H new ATOM 0 HD21 ASN A 100 5.787 -1.724 -12.437 1.00 0.00 H new ATOM 0 HD22 ASN A 100 5.084 -1.514 -14.044 1.00 0.00 H new ATOM 1624 N GLU A 101 5.406 -5.286 -14.272 1.00 0.00 N ATOM 1625 CA GLU A 101 6.683 -5.678 -14.858 1.00 0.00 C ATOM 1626 C GLU A 101 7.227 -4.578 -15.762 1.00 0.00 C ATOM 1627 O GLU A 101 6.707 -4.341 -16.852 1.00 0.00 O ATOM 1628 CB GLU A 101 6.528 -6.977 -15.652 1.00 0.00 C ATOM 1629 CG GLU A 101 6.104 -8.164 -14.800 1.00 0.00 C ATOM 1630 CD GLU A 101 6.107 -9.467 -15.575 1.00 0.00 C ATOM 1631 OE1 GLU A 101 5.656 -9.467 -16.739 1.00 0.00 O ATOM 1632 OE2 GLU A 101 6.560 -10.488 -15.017 1.00 0.00 O ATOM 0 H GLU A 101 5.412 -5.221 -13.254 1.00 0.00 H new ATOM 0 HA GLU A 101 7.392 -5.840 -14.046 1.00 0.00 H new ATOM 0 HB2 GLU A 101 5.792 -6.825 -16.441 1.00 0.00 H new ATOM 0 HB3 GLU A 101 7.474 -7.210 -16.140 1.00 0.00 H new ATOM 0 HG2 GLU A 101 6.775 -8.252 -13.946 1.00 0.00 H new ATOM 0 HG3 GLU A 101 5.105 -7.984 -14.403 1.00 0.00 H new ATOM 1639 N ALA A 102 8.279 -3.909 -15.302 1.00 0.00 N ATOM 1640 CA ALA A 102 8.897 -2.833 -16.068 1.00 0.00 C ATOM 1641 C ALA A 102 10.404 -3.037 -16.180 1.00 0.00 C ATOM 1642 O ALA A 102 10.914 -3.397 -17.240 1.00 0.00 O ATOM 1643 CB ALA A 102 8.589 -1.488 -15.429 1.00 0.00 C ATOM 0 H ALA A 102 8.722 -4.093 -14.402 1.00 0.00 H new ATOM 0 HA ALA A 102 8.479 -2.848 -17.075 1.00 0.00 H new ATOM 0 HB1 ALA A 102 9.056 -0.693 -16.011 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.510 -1.335 -15.406 1.00 0.00 H new ATOM 0 HB3 ALA A 102 8.980 -1.471 -14.412 1.00 0.00 H new ATOM 1649 N LEU A 103 11.112 -2.802 -15.079 1.00 0.00 N ATOM 1650 CA LEU A 103 12.561 -2.960 -15.054 1.00 0.00 C ATOM 1651 C LEU A 103 13.226 -2.054 -16.085 1.00 0.00 C ATOM 1652 O LEU A 103 13.158 -2.312 -17.287 1.00 0.00 O ATOM 1653 CB LEU A 103 12.941 -4.418 -15.319 1.00 0.00 C ATOM 1654 CG LEU A 103 12.381 -5.429 -14.316 1.00 0.00 C ATOM 1655 CD1 LEU A 103 11.021 -5.935 -14.773 1.00 0.00 C ATOM 1656 CD2 LEU A 103 13.348 -6.586 -14.129 1.00 0.00 C ATOM 0 H LEU A 103 10.705 -2.502 -14.193 1.00 0.00 H new ATOM 0 HA LEU A 103 12.915 -2.674 -14.064 1.00 0.00 H new ATOM 0 HB2 LEU A 103 12.597 -4.691 -16.317 1.00 0.00 H new ATOM 0 HB3 LEU A 103 14.028 -4.499 -15.324 1.00 0.00 H new ATOM 0 HG LEU A 103 12.256 -4.929 -13.355 1.00 0.00 H new ATOM 0 HD11 LEU A 103 10.638 -6.653 -14.048 1.00 0.00 H new ATOM 0 HD12 LEU A 103 10.329 -5.097 -14.854 1.00 0.00 H new ATOM 0 HD13 LEU A 103 11.120 -6.419 -15.745 1.00 0.00 H new ATOM 0 HD21 LEU A 103 12.933 -7.295 -13.412 1.00 0.00 H new ATOM 0 HD22 LEU A 103 13.506 -7.086 -15.084 1.00 0.00 H new ATOM 0 HD23 LEU A 103 14.300 -6.208 -13.756 1.00 0.00 H new ATOM 1668 N VAL A 104 13.868 -0.994 -15.607 1.00 0.00 N ATOM 1669 CA VAL A 104 14.546 -0.051 -16.487 1.00 0.00 C ATOM 1670 C VAL A 104 16.033 -0.372 -16.595 1.00 0.00 C ATOM 1671 O VAL A 104 16.519 -0.759 -17.656 1.00 0.00 O ATOM 1672 CB VAL A 104 14.379 1.398 -15.996 1.00 0.00 C ATOM 1673 CG1 VAL A 104 14.918 2.378 -17.026 1.00 0.00 C ATOM 1674 CG2 VAL A 104 12.919 1.692 -15.682 1.00 0.00 C ATOM 0 H VAL A 104 13.933 -0.767 -14.615 1.00 0.00 H new ATOM 0 HA VAL A 104 14.083 -0.148 -17.469 1.00 0.00 H new ATOM 0 HB VAL A 104 14.955 1.519 -15.079 1.00 0.00 H new ATOM 0 HG11 VAL A 104 14.791 3.397 -16.660 1.00 0.00 H new ATOM 0 HG12 VAL A 104 15.977 2.183 -17.195 1.00 0.00 H new ATOM 0 HG13 VAL A 104 14.373 2.258 -17.962 1.00 0.00 H new ATOM 0 HG21 VAL A 104 12.821 2.721 -15.336 1.00 0.00 H new ATOM 0 HG22 VAL A 104 12.318 1.552 -16.581 1.00 0.00 H new ATOM 0 HG23 VAL A 104 12.570 1.013 -14.904 1.00 0.00 H new ATOM 1684 N ARG A 105 16.749 -0.208 -15.486 1.00 0.00 N ATOM 1685 CA ARG A 105 18.181 -0.482 -15.455 1.00 0.00 C ATOM 1686 C ARG A 105 18.732 -0.332 -14.041 1.00 0.00 C ATOM 1687 O ARG A 105 19.434 -1.212 -13.542 1.00 0.00 O ATOM 1688 CB ARG A 105 18.923 0.458 -16.406 1.00 0.00 C ATOM 1689 CG ARG A 105 20.319 -0.022 -16.771 1.00 0.00 C ATOM 1690 CD ARG A 105 20.652 0.283 -18.222 1.00 0.00 C ATOM 1691 NE ARG A 105 21.437 -0.784 -18.839 1.00 0.00 N ATOM 1692 CZ ARG A 105 20.918 -1.933 -19.266 1.00 0.00 C ATOM 1693 NH1 ARG A 105 19.618 -2.168 -19.146 1.00 0.00 N ATOM 1694 NH2 ARG A 105 21.702 -2.850 -19.816 1.00 0.00 N ATOM 0 H ARG A 105 16.361 0.113 -14.599 1.00 0.00 H new ATOM 0 HA ARG A 105 18.336 -1.511 -15.779 1.00 0.00 H new ATOM 0 HB2 ARG A 105 18.338 0.574 -17.318 1.00 0.00 H new ATOM 0 HB3 ARG A 105 18.996 1.444 -15.946 1.00 0.00 H new ATOM 0 HG2 ARG A 105 21.051 0.457 -16.120 1.00 0.00 H new ATOM 0 HG3 ARG A 105 20.392 -1.096 -16.598 1.00 0.00 H new ATOM 0 HD2 ARG A 105 19.729 0.425 -18.784 1.00 0.00 H new ATOM 0 HD3 ARG A 105 21.207 1.220 -18.278 1.00 0.00 H new ATOM 0 HE ARG A 105 22.441 -0.640 -18.949 1.00 0.00 H new ATOM 0 HH11 ARG A 105 19.010 -1.466 -18.724 1.00 0.00 H new ATOM 0 HH12 ARG A 105 19.227 -3.051 -19.475 1.00 0.00 H new ATOM 0 HH21 ARG A 105 22.702 -2.675 -19.912 1.00 0.00 H new ATOM 0 HH22 ARG A 105 21.305 -3.731 -20.143 1.00 0.00 H new ATOM 1708 N GLN A 106 18.409 0.786 -13.400 1.00 0.00 N ATOM 1709 CA GLN A 106 18.872 1.051 -12.042 1.00 0.00 C ATOM 1710 C GLN A 106 17.717 1.502 -11.153 1.00 0.00 C ATOM 1711 O GLN A 106 17.566 1.023 -10.029 1.00 0.00 O ATOM 1712 CB GLN A 106 19.970 2.118 -12.054 1.00 0.00 C ATOM 1713 CG GLN A 106 21.088 1.849 -11.062 1.00 0.00 C ATOM 1714 CD GLN A 106 20.584 1.705 -9.640 1.00 0.00 C ATOM 1715 OE1 GLN A 106 20.393 2.695 -8.933 1.00 0.00 O ATOM 1716 NE2 GLN A 106 20.369 0.466 -9.212 1.00 0.00 N ATOM 0 H GLN A 106 17.828 1.524 -13.799 1.00 0.00 H new ATOM 0 HA GLN A 106 19.280 0.125 -11.636 1.00 0.00 H new ATOM 0 HB2 GLN A 106 20.392 2.182 -13.057 1.00 0.00 H new ATOM 0 HB3 GLN A 106 19.525 3.088 -11.833 1.00 0.00 H new ATOM 0 HG2 GLN A 106 21.614 0.939 -11.351 1.00 0.00 H new ATOM 0 HG3 GLN A 106 21.812 2.663 -11.106 1.00 0.00 H new ATOM 0 HE21 GLN A 106 20.541 -0.325 -9.833 1.00 0.00 H new ATOM 0 HE22 GLN A 106 20.032 0.306 -8.263 1.00 0.00 H new ATOM 1725 N GLY A 107 16.908 2.424 -11.663 1.00 0.00 N ATOM 1726 CA GLY A 107 15.779 2.923 -10.901 1.00 0.00 C ATOM 1727 C GLY A 107 15.580 4.417 -11.068 1.00 0.00 C ATOM 1728 O GLY A 107 15.345 5.133 -10.094 1.00 0.00 O ATOM 0 H GLY A 107 17.014 2.835 -12.591 1.00 0.00 H new ATOM 0 HA2 GLY A 107 14.874 2.402 -11.215 1.00 0.00 H new ATOM 0 HA3 GLY A 107 15.928 2.695 -9.846 1.00 0.00 H new ATOM 1732 N LEU A 108 15.674 4.890 -12.307 1.00 0.00 N ATOM 1733 CA LEU A 108 15.501 6.308 -12.600 1.00 0.00 C ATOM 1734 C LEU A 108 14.666 6.505 -13.861 1.00 0.00 C ATOM 1735 O LEU A 108 13.674 7.234 -13.854 1.00 0.00 O ATOM 1736 CB LEU A 108 16.865 6.985 -12.762 1.00 0.00 C ATOM 1737 CG LEU A 108 17.363 7.740 -11.527 1.00 0.00 C ATOM 1738 CD1 LEU A 108 18.080 6.794 -10.578 1.00 0.00 C ATOM 1739 CD2 LEU A 108 18.278 8.883 -11.938 1.00 0.00 C ATOM 0 H LEU A 108 15.869 4.312 -13.124 1.00 0.00 H new ATOM 0 HA LEU A 108 14.973 6.766 -11.764 1.00 0.00 H new ATOM 0 HB2 LEU A 108 17.601 6.226 -13.027 1.00 0.00 H new ATOM 0 HB3 LEU A 108 16.811 7.682 -13.598 1.00 0.00 H new ATOM 0 HG LEU A 108 16.502 8.159 -11.006 1.00 0.00 H new ATOM 0 HD11 LEU A 108 18.427 7.348 -9.706 1.00 0.00 H new ATOM 0 HD12 LEU A 108 17.394 6.009 -10.260 1.00 0.00 H new ATOM 0 HD13 LEU A 108 18.934 6.346 -11.087 1.00 0.00 H new ATOM 0 HD21 LEU A 108 18.624 9.410 -11.049 1.00 0.00 H new ATOM 0 HD22 LEU A 108 19.136 8.485 -12.481 1.00 0.00 H new ATOM 0 HD23 LEU A 108 17.731 9.574 -12.580 1.00 0.00 H new ATOM 1751 N ALA A 109 15.074 5.851 -14.943 1.00 0.00 N ATOM 1752 CA ALA A 109 14.364 5.954 -16.212 1.00 0.00 C ATOM 1753 C ALA A 109 14.318 7.399 -16.701 1.00 0.00 C ATOM 1754 O ALA A 109 13.349 8.117 -16.455 1.00 0.00 O ATOM 1755 CB ALA A 109 12.956 5.392 -16.074 1.00 0.00 C ATOM 0 H ALA A 109 15.893 5.244 -14.966 1.00 0.00 H new ATOM 0 HA ALA A 109 14.906 5.367 -16.954 1.00 0.00 H new ATOM 0 HB1 ALA A 109 12.436 5.475 -17.028 1.00 0.00 H new ATOM 0 HB2 ALA A 109 13.010 4.344 -15.780 1.00 0.00 H new ATOM 0 HB3 ALA A 109 12.413 5.955 -15.315 1.00 0.00 H new ATOM 1761 N LYS A 110 15.374 7.817 -17.392 1.00 0.00 N ATOM 1762 CA LYS A 110 15.456 9.176 -17.915 1.00 0.00 C ATOM 1763 C LYS A 110 16.398 9.242 -19.113 1.00 0.00 C ATOM 1764 O LYS A 110 17.373 8.463 -19.142 1.00 0.00 O ATOM 1765 CB LYS A 110 15.929 10.137 -16.821 1.00 0.00 C ATOM 1766 CG LYS A 110 14.876 11.150 -16.407 1.00 0.00 C ATOM 1767 CD LYS A 110 15.074 12.481 -17.114 1.00 0.00 C ATOM 1768 CE LYS A 110 14.260 13.587 -16.460 1.00 0.00 C ATOM 1769 NZ LYS A 110 14.594 14.926 -17.018 1.00 0.00 N ATOM 1770 OXT LYS A 110 16.150 10.073 -20.013 1.00 0.00 O ATOM 0 H LYS A 110 16.184 7.234 -17.603 1.00 0.00 H new ATOM 0 HA LYS A 110 14.461 9.474 -18.244 1.00 0.00 H new ATOM 0 HB2 LYS A 110 16.230 9.560 -15.947 1.00 0.00 H new ATOM 0 HB3 LYS A 110 16.814 10.668 -17.172 1.00 0.00 H new ATOM 0 HG2 LYS A 110 13.884 10.759 -16.636 1.00 0.00 H new ATOM 0 HG3 LYS A 110 14.918 11.300 -15.328 1.00 0.00 H new ATOM 0 HD2 LYS A 110 16.131 12.748 -17.099 1.00 0.00 H new ATOM 0 HD3 LYS A 110 14.784 12.385 -18.160 1.00 0.00 H new ATOM 0 HE2 LYS A 110 13.198 13.389 -16.603 1.00 0.00 H new ATOM 0 HE3 LYS A 110 14.443 13.586 -15.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 14.018 15.652 -16.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 15.602 15.127 -16.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 14.395 14.936 -18.039 1.00 0.00 H new TER 1784 LYS A 110