USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 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 22 THR OG1 : rot -50:sc= 0.603 USER MOD Set 1.2: A 25 ASN : amide:sc= 1.76 K(o=2.4,f=-6!) USER MOD Set 2.1: A 6 LYS NZ :NH3+ -179:sc= 0.76 (180deg=-0.108) USER MOD Set 2.2: A 12 THR OG1 : rot 156:sc= 0.748 USER MOD Single : A 1 MET CE :methyl 155:sc= 0 (180deg=-0.622) USER MOD Single : A 1 MET N :NH3+ 142:sc= 1.22 (180deg=0.841) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.107 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -150:sc= 1.28 (180deg=0.761) USER MOD Single : A 14 THR OG1 : rot -58:sc= 0.186 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -143:sc= 1.07 (180deg=-0.648!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 41 GLN : amide:sc= 1.21 K(o=1.2,f=-2.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.305 K(o=0.3,f=-3!) USER MOD Single : A 55 THR OG1 : rot -61:sc= 1.25 USER MOD Single : A 57 SER OG : rot 180:sc= -0.355 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.673 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.0162 K(o=-0.016,f=-1.7!) USER MOD Single : A 63 LYS NZ :NH3+ -176:sc= 1.23 (180deg=1.2) USER MOD Single : A 65 SER OG : rot 94:sc= 0.299 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.191 -4.292 -3.677 1.00 0.78 N ATOM 2 CA MET A 1 12.973 -4.917 -2.353 1.00 0.70 C ATOM 3 C MET A 1 11.546 -5.294 -2.147 1.00 0.62 C ATOM 4 O MET A 1 10.665 -4.811 -2.857 1.00 0.68 O ATOM 5 CB MET A 1 13.541 -3.961 -1.292 1.00 0.75 C ATOM 6 CG MET A 1 13.086 -2.501 -1.229 1.00 0.79 C ATOM 7 SD MET A 1 11.770 -2.320 0.012 1.00 1.10 S ATOM 8 CE MET A 1 11.906 -0.516 0.173 1.00 0.84 C ATOM 0 H1 MET A 1 13.884 -3.522 -3.587 1.00 0.78 H new ATOM 0 H2 MET A 1 13.550 -5.006 -4.343 1.00 0.78 H new ATOM 0 H3 MET A 1 12.292 -3.909 -4.032 1.00 0.78 H new ATOM 0 HA MET A 1 13.502 -5.867 -2.274 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.333 -4.404 -0.318 1.00 0.75 H new ATOM 0 HB3 MET A 1 14.624 -3.954 -1.414 1.00 0.75 H new ATOM 0 HG2 MET A 1 13.929 -1.858 -0.975 1.00 0.79 H new ATOM 0 HG3 MET A 1 12.724 -2.181 -2.206 1.00 0.79 H new ATOM 0 HE1 MET A 1 10.956 -0.109 0.519 1.00 0.84 H new ATOM 0 HE2 MET A 1 12.688 -0.273 0.892 1.00 0.84 H new ATOM 0 HE3 MET A 1 12.156 -0.082 -0.795 1.00 0.84 H new ATOM 20 N GLN A 2 11.322 -6.212 -1.190 1.00 0.59 N ATOM 21 CA GLN A 2 10.033 -6.796 -0.983 1.00 0.56 C ATOM 22 C GLN A 2 9.315 -6.101 0.123 1.00 0.50 C ATOM 23 O GLN A 2 9.856 -5.923 1.214 1.00 0.60 O ATOM 24 CB GLN A 2 10.090 -8.289 -0.618 1.00 0.71 C ATOM 25 CG GLN A 2 10.506 -9.192 -1.781 1.00 1.15 C ATOM 26 CD GLN A 2 11.944 -9.207 -2.280 1.00 1.30 C ATOM 27 OE1 GLN A 2 12.245 -8.356 -3.115 1.00 1.87 O ATOM 28 NE2 GLN A 2 12.729 -10.210 -1.805 1.00 1.72 N ATOM 0 H GLN A 2 12.042 -6.553 -0.553 1.00 0.59 H new ATOM 0 HA GLN A 2 9.512 -6.686 -1.934 1.00 0.56 H new ATOM 0 HB2 GLN A 2 10.791 -8.426 0.205 1.00 0.71 H new ATOM 0 HB3 GLN A 2 9.110 -8.603 -0.258 1.00 0.71 H new ATOM 0 HG2 GLN A 2 10.254 -10.214 -1.499 1.00 1.15 H new ATOM 0 HG3 GLN A 2 9.875 -8.931 -2.631 1.00 1.15 H new ATOM 0 HE21 GLN A 2 12.362 -10.858 -1.108 1.00 1.72 H new ATOM 0 HE22 GLN A 2 13.685 -10.315 -2.146 1.00 1.72 H new ATOM 37 N ILE A 3 8.013 -5.812 -0.050 1.00 0.44 N ATOM 38 CA ILE A 3 7.115 -5.283 0.928 1.00 0.42 C ATOM 39 C ILE A 3 5.918 -6.169 0.875 1.00 0.40 C ATOM 40 O ILE A 3 5.754 -6.896 -0.103 1.00 0.50 O ATOM 41 CB ILE A 3 6.824 -3.813 0.852 1.00 0.48 C ATOM 42 CG1 ILE A 3 6.012 -3.377 -0.379 1.00 0.55 C ATOM 43 CG2 ILE A 3 8.115 -3.017 1.111 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.800 -1.864 -0.396 1.00 0.72 C ATOM 0 H ILE A 3 7.553 -5.961 -0.948 1.00 0.44 H new ATOM 0 HA ILE A 3 7.586 -5.302 1.911 1.00 0.42 H new ATOM 0 HB ILE A 3 6.128 -3.566 1.654 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.531 -3.684 -1.287 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.046 -3.882 -0.378 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.902 -1.950 1.055 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.499 -3.259 2.102 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.860 -3.278 0.359 1.00 0.61 H new ATOM 0 HD11 ILE A 3 5.223 -1.587 -1.278 1.00 0.72 H new ATOM 0 HD12 ILE A 3 5.259 -1.562 0.501 1.00 0.72 H new ATOM 0 HD13 ILE A 3 6.767 -1.361 -0.423 1.00 0.72 H new ATOM 56 N PHE A 4 5.051 -6.209 1.903 1.00 0.37 N ATOM 57 CA PHE A 4 3.851 -6.986 1.925 1.00 0.38 C ATOM 58 C PHE A 4 2.669 -6.087 2.048 1.00 0.39 C ATOM 59 O PHE A 4 2.743 -5.012 2.641 1.00 0.60 O ATOM 60 CB PHE A 4 3.787 -7.939 3.130 1.00 0.45 C ATOM 61 CG PHE A 4 5.018 -8.774 3.218 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.001 -9.970 2.540 1.00 1.16 C ATOM 63 CD2 PHE A 4 6.087 -8.451 4.020 1.00 1.30 C ATOM 64 CE1 PHE A 4 6.058 -10.840 2.680 1.00 1.23 C ATOM 65 CE2 PHE A 4 7.220 -9.228 4.065 1.00 1.40 C ATOM 66 CZ PHE A 4 7.141 -10.444 3.428 1.00 0.85 C ATOM 0 H PHE A 4 5.194 -5.674 2.759 1.00 0.37 H new ATOM 0 HA PHE A 4 3.846 -7.560 0.998 1.00 0.38 H new ATOM 0 HB2 PHE A 4 3.668 -7.363 4.048 1.00 0.45 H new ATOM 0 HB3 PHE A 4 2.912 -8.583 3.042 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.166 -10.224 1.904 1.00 1.16 H new ATOM 0 HD2 PHE A 4 6.035 -7.562 4.631 1.00 1.30 H new ATOM 0 HE1 PHE A 4 6.037 -11.813 2.212 1.00 1.23 H new ATOM 0 HE2 PHE A 4 8.118 -8.903 4.570 1.00 1.40 H new ATOM 0 HZ PHE A 4 7.975 -11.124 3.520 1.00 0.85 H new ATOM 76 N VAL A 5 1.500 -6.470 1.503 1.00 0.35 N ATOM 77 CA VAL A 5 0.326 -5.659 1.605 1.00 0.35 C ATOM 78 C VAL A 5 -0.767 -6.575 2.032 1.00 0.35 C ATOM 79 O VAL A 5 -0.947 -7.679 1.519 1.00 0.46 O ATOM 80 CB VAL A 5 -0.017 -4.874 0.374 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.317 -4.082 0.600 1.00 0.58 C ATOM 82 CG2 VAL A 5 1.191 -4.002 -0.008 1.00 0.56 C ATOM 0 H VAL A 5 1.368 -7.342 0.991 1.00 0.35 H new ATOM 0 HA VAL A 5 0.497 -4.866 2.333 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.216 -5.531 -0.473 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.558 -3.515 -0.299 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.130 -4.773 0.822 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -1.184 -3.396 1.437 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.955 -3.425 -0.902 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.423 -3.322 0.812 1.00 0.56 H new ATOM 0 HG23 VAL A 5 2.053 -4.640 -0.204 1.00 0.56 H new ATOM 92 N LYS A 6 -1.409 -6.249 3.168 1.00 0.36 N ATOM 93 CA LYS A 6 -2.481 -7.054 3.665 1.00 0.39 C ATOM 94 C LYS A 6 -3.755 -6.425 3.220 1.00 0.46 C ATOM 95 O LYS A 6 -3.941 -5.210 3.177 1.00 0.53 O ATOM 96 CB LYS A 6 -2.470 -7.241 5.192 1.00 0.54 C ATOM 97 CG LYS A 6 -1.305 -8.191 5.475 1.00 1.22 C ATOM 98 CD LYS A 6 -1.330 -8.661 6.931 1.00 1.37 C ATOM 99 CE LYS A 6 -0.454 -9.855 7.317 1.00 1.93 C ATOM 100 NZ LYS A 6 -1.042 -11.045 6.660 1.00 2.09 N ATOM 0 H LYS A 6 -1.188 -5.433 3.739 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.366 -8.060 3.262 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -2.334 -6.288 5.704 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -3.413 -7.660 5.544 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -1.362 -9.052 4.809 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -0.361 -7.688 5.266 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -1.041 -7.818 7.559 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -2.361 -8.908 7.184 1.00 1.37 H new ATOM 0 HE2 LYS A 6 0.575 -9.702 6.991 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -0.429 -9.983 8.399 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 -0.487 -11.889 6.909 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -2.023 -11.169 6.981 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -1.029 -10.914 5.628 1.00 2.09 H new ATOM 114 N THR A 7 -4.819 -7.205 2.955 1.00 0.58 N ATOM 115 CA THR A 7 -6.143 -6.781 2.621 1.00 0.78 C ATOM 116 C THR A 7 -7.072 -6.884 3.782 1.00 0.94 C ATOM 117 O THR A 7 -6.795 -7.448 4.839 1.00 0.99 O ATOM 118 CB THR A 7 -6.851 -7.193 1.364 1.00 0.90 C ATOM 119 OG1 THR A 7 -7.380 -8.510 1.420 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.815 -7.062 0.235 1.00 0.92 C ATOM 0 H THR A 7 -4.743 -8.222 2.977 1.00 0.58 H new ATOM 0 HA THR A 7 -5.874 -5.762 2.343 1.00 0.78 H new ATOM 0 HB THR A 7 -7.720 -6.555 1.203 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.829 -8.718 0.574 1.00 0.90 H new ATOM 0 HG21 THR A 7 -6.271 -7.349 -0.712 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.472 -6.029 0.174 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.967 -7.715 0.442 1.00 0.92 H new ATOM 128 N LEU A 8 -8.317 -6.415 3.585 1.00 1.17 N ATOM 129 CA LEU A 8 -9.430 -6.589 4.467 1.00 1.39 C ATOM 130 C LEU A 8 -9.785 -8.008 4.752 1.00 1.44 C ATOM 131 O LEU A 8 -9.719 -8.450 5.898 1.00 1.60 O ATOM 132 CB LEU A 8 -10.649 -5.909 3.820 1.00 1.66 C ATOM 133 CG LEU A 8 -11.813 -5.817 4.820 1.00 2.11 C ATOM 134 CD1 LEU A 8 -11.468 -5.375 6.252 1.00 2.53 C ATOM 135 CD2 LEU A 8 -12.920 -4.925 4.232 1.00 2.43 C ATOM 0 H LEU A 8 -8.562 -5.878 2.753 1.00 1.17 H new ATOM 0 HA LEU A 8 -9.144 -6.150 5.423 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.376 -4.910 3.479 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.962 -6.472 2.941 1.00 1.66 H new ATOM 0 HG LEU A 8 -12.147 -6.846 4.949 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -12.376 -5.352 6.854 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -10.760 -6.079 6.690 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -11.022 -4.380 6.228 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -13.747 -4.858 4.939 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -12.522 -3.928 4.043 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -13.276 -5.356 3.297 1.00 2.43 H new ATOM 147 N THR A 9 -10.102 -8.820 3.727 1.00 1.41 N ATOM 148 CA THR A 9 -10.457 -10.196 3.886 1.00 1.51 C ATOM 149 C THR A 9 -9.383 -11.204 4.109 1.00 1.37 C ATOM 150 O THR A 9 -9.629 -12.312 4.582 1.00 1.62 O ATOM 151 CB THR A 9 -11.405 -10.756 2.868 1.00 1.65 C ATOM 152 OG1 THR A 9 -10.856 -10.719 1.558 1.00 1.89 O ATOM 153 CG2 THR A 9 -12.690 -9.911 2.846 1.00 2.08 C ATOM 0 H THR A 9 -10.111 -8.508 2.756 1.00 1.41 H new ATOM 0 HA THR A 9 -10.961 -10.065 4.844 1.00 1.51 H new ATOM 0 HB THR A 9 -11.605 -11.790 3.149 1.00 1.65 H new ATOM 0 HG1 THR A 9 -11.501 -11.093 0.922 1.00 1.89 H new ATOM 0 HG21 THR A 9 -13.380 -10.317 2.106 1.00 2.08 H new ATOM 0 HG22 THR A 9 -13.158 -9.935 3.830 1.00 2.08 H new ATOM 0 HG23 THR A 9 -12.444 -8.881 2.586 1.00 2.08 H new ATOM 161 N GLY A 10 -8.103 -10.866 3.867 1.00 1.18 N ATOM 162 CA GLY A 10 -7.058 -11.775 4.219 1.00 1.22 C ATOM 163 C GLY A 10 -6.065 -12.136 3.169 1.00 0.99 C ATOM 164 O GLY A 10 -5.413 -13.153 3.398 1.00 1.31 O ATOM 0 H GLY A 10 -7.798 -9.991 3.441 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -6.514 -11.349 5.062 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -7.521 -12.696 4.572 1.00 1.22 H new ATOM 168 N LYS A 11 -5.983 -11.350 2.080 1.00 0.73 N ATOM 169 CA LYS A 11 -5.095 -11.728 1.025 1.00 0.60 C ATOM 170 C LYS A 11 -3.871 -10.950 1.367 1.00 0.51 C ATOM 171 O LYS A 11 -3.878 -9.734 1.546 1.00 0.63 O ATOM 172 CB LYS A 11 -5.701 -11.235 -0.301 1.00 0.75 C ATOM 173 CG LYS A 11 -4.784 -11.078 -1.515 1.00 0.87 C ATOM 174 CD LYS A 11 -4.055 -12.351 -1.949 1.00 1.04 C ATOM 175 CE LYS A 11 -3.735 -12.289 -3.444 1.00 1.30 C ATOM 176 NZ LYS A 11 -4.922 -12.668 -4.243 1.00 1.40 N ATOM 0 H LYS A 11 -6.508 -10.488 1.932 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.908 -12.797 0.923 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -6.499 -11.925 -0.576 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -6.167 -10.268 -0.112 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -5.377 -10.714 -2.354 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -4.042 -10.311 -1.293 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -3.135 -12.466 -1.376 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -4.673 -13.224 -1.737 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -3.415 -11.282 -3.712 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -2.906 -12.959 -3.673 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -4.615 -13.108 -5.134 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -5.501 -13.343 -3.705 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -5.485 -11.819 -4.453 1.00 1.40 H new ATOM 190 N THR A 12 -2.711 -11.600 1.569 1.00 0.49 N ATOM 191 CA THR A 12 -1.409 -11.020 1.692 1.00 0.48 C ATOM 192 C THR A 12 -0.719 -10.969 0.373 1.00 0.52 C ATOM 193 O THR A 12 -0.337 -11.979 -0.218 1.00 0.72 O ATOM 194 CB THR A 12 -0.430 -11.557 2.692 1.00 0.64 C ATOM 195 OG1 THR A 12 -1.145 -11.695 3.912 1.00 0.77 O ATOM 196 CG2 THR A 12 0.686 -10.566 3.064 1.00 0.78 C ATOM 0 H THR A 12 -2.683 -12.616 1.653 1.00 0.49 H new ATOM 0 HA THR A 12 -1.684 -10.047 2.098 1.00 0.48 H new ATOM 0 HB THR A 12 -0.000 -12.460 2.260 1.00 0.64 H new ATOM 0 HG1 THR A 12 -0.708 -12.370 4.473 1.00 0.77 H new ATOM 0 HG21 THR A 12 1.354 -11.027 3.792 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.250 -10.301 2.170 1.00 0.78 H new ATOM 0 HG23 THR A 12 0.245 -9.667 3.494 1.00 0.78 H new ATOM 204 N ILE A 13 -0.415 -9.769 -0.152 1.00 0.48 N ATOM 205 CA ILE A 13 0.377 -9.631 -1.334 1.00 0.55 C ATOM 206 C ILE A 13 1.805 -9.241 -1.156 1.00 0.51 C ATOM 207 O ILE A 13 2.040 -8.342 -0.350 1.00 0.56 O ATOM 208 CB ILE A 13 -0.211 -8.571 -2.218 1.00 0.69 C ATOM 209 CG1 ILE A 13 -1.726 -8.406 -2.016 1.00 1.15 C ATOM 210 CG2 ILE A 13 0.169 -8.997 -3.646 1.00 1.13 C ATOM 211 CD1 ILE A 13 -2.483 -7.644 -3.103 1.00 1.55 C ATOM 0 H ILE A 13 -0.723 -8.883 0.249 1.00 0.48 H new ATOM 0 HA ILE A 13 0.363 -10.640 -1.747 1.00 0.55 H new ATOM 0 HB ILE A 13 0.180 -7.581 -1.983 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.168 -9.398 -1.926 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -1.889 -7.897 -1.066 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -0.224 -8.272 -4.359 1.00 1.13 H new ATOM 0 HG22 ILE A 13 1.254 -9.042 -3.736 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -0.253 -9.979 -3.857 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -3.541 -7.596 -2.844 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.083 -6.633 -3.184 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -2.366 -8.158 -4.057 1.00 1.55 H new ATOM 223 N THR A 14 2.793 -9.853 -1.834 1.00 0.55 N ATOM 224 CA THR A 14 4.164 -9.495 -1.648 1.00 0.54 C ATOM 225 C THR A 14 4.427 -8.693 -2.875 1.00 0.55 C ATOM 226 O THR A 14 3.904 -9.151 -3.890 1.00 0.72 O ATOM 227 CB THR A 14 5.113 -10.657 -1.686 1.00 0.67 C ATOM 228 OG1 THR A 14 4.947 -11.553 -0.597 1.00 1.08 O ATOM 229 CG2 THR A 14 6.577 -10.209 -1.539 1.00 1.03 C ATOM 0 H THR A 14 2.641 -10.598 -2.513 1.00 0.55 H new ATOM 0 HA THR A 14 4.313 -9.015 -0.681 1.00 0.54 H new ATOM 0 HB THR A 14 4.894 -11.126 -2.645 1.00 0.67 H new ATOM 0 HG1 THR A 14 5.068 -11.069 0.246 1.00 1.08 H new ATOM 0 HG21 THR A 14 7.230 -11.081 -1.572 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.834 -9.533 -2.354 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.706 -9.695 -0.587 1.00 1.03 H new ATOM 237 N LEU A 15 5.136 -7.551 -2.814 1.00 0.50 N ATOM 238 CA LEU A 15 5.401 -6.686 -3.921 1.00 0.55 C ATOM 239 C LEU A 15 6.851 -6.363 -4.033 1.00 0.52 C ATOM 240 O LEU A 15 7.481 -6.254 -2.982 1.00 0.58 O ATOM 241 CB LEU A 15 4.630 -5.358 -3.830 1.00 0.69 C ATOM 242 CG LEU A 15 3.117 -5.623 -3.920 1.00 0.76 C ATOM 243 CD1 LEU A 15 2.482 -4.283 -3.513 1.00 1.38 C ATOM 244 CD2 LEU A 15 2.637 -5.931 -5.349 1.00 1.55 C ATOM 0 H LEU A 15 5.547 -7.214 -1.943 1.00 0.50 H new ATOM 0 HA LEU A 15 5.068 -7.237 -4.801 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.865 -4.855 -2.892 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.940 -4.692 -4.635 1.00 0.69 H new ATOM 0 HG LEU A 15 2.854 -6.482 -3.303 1.00 0.76 H new ATOM 0 HD11 LEU A 15 1.396 -4.370 -3.546 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.795 -4.025 -2.501 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.805 -3.503 -4.203 1.00 1.38 H new ATOM 0 HD21 LEU A 15 1.561 -6.108 -5.341 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.861 -5.085 -5.998 1.00 1.55 H new ATOM 0 HD23 LEU A 15 3.148 -6.819 -5.721 1.00 1.55 H new ATOM 256 N GLU A 16 7.475 -6.245 -5.219 1.00 0.59 N ATOM 257 CA GLU A 16 8.829 -5.871 -5.487 1.00 0.63 C ATOM 258 C GLU A 16 8.727 -4.445 -5.908 1.00 0.65 C ATOM 259 O GLU A 16 8.100 -4.131 -6.920 1.00 0.81 O ATOM 260 CB GLU A 16 9.482 -6.645 -6.646 1.00 0.76 C ATOM 261 CG GLU A 16 9.673 -8.107 -6.241 1.00 1.41 C ATOM 262 CD GLU A 16 10.166 -8.895 -7.447 1.00 1.52 C ATOM 263 OE1 GLU A 16 11.399 -8.987 -7.689 1.00 1.95 O ATOM 264 OE2 GLU A 16 9.352 -9.521 -8.178 1.00 1.92 O ATOM 0 H GLU A 16 6.971 -6.434 -6.085 1.00 0.59 H new ATOM 0 HA GLU A 16 9.442 -6.070 -4.608 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.857 -6.582 -7.537 1.00 0.76 H new ATOM 0 HB3 GLU A 16 10.444 -6.198 -6.899 1.00 0.76 H new ATOM 0 HG2 GLU A 16 10.391 -8.181 -5.424 1.00 1.41 H new ATOM 0 HG3 GLU A 16 8.733 -8.523 -5.878 1.00 1.41 H new ATOM 271 N VAL A 17 9.372 -3.598 -5.088 1.00 0.61 N ATOM 272 CA VAL A 17 9.260 -2.179 -5.225 1.00 0.63 C ATOM 273 C VAL A 17 10.681 -1.748 -5.108 1.00 0.65 C ATOM 274 O VAL A 17 11.573 -2.392 -4.559 1.00 0.76 O ATOM 275 CB VAL A 17 8.481 -1.505 -4.135 1.00 0.70 C ATOM 276 CG1 VAL A 17 7.069 -2.108 -4.206 1.00 0.96 C ATOM 277 CG2 VAL A 17 9.131 -1.624 -2.746 1.00 0.92 C ATOM 0 H VAL A 17 9.976 -3.899 -4.323 1.00 0.61 H new ATOM 0 HA VAL A 17 8.736 -1.920 -6.145 1.00 0.63 H new ATOM 0 HB VAL A 17 8.454 -0.426 -4.288 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.443 -1.660 -3.435 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.637 -1.908 -5.186 1.00 0.96 H new ATOM 0 HG13 VAL A 17 7.125 -3.185 -4.047 1.00 0.96 H new ATOM 0 HG21 VAL A 17 8.511 -1.113 -2.009 1.00 0.92 H new ATOM 0 HG22 VAL A 17 9.223 -2.676 -2.476 1.00 0.92 H new ATOM 0 HG23 VAL A 17 10.121 -1.167 -2.767 1.00 0.92 H new ATOM 287 N GLU A 18 10.820 -0.483 -5.547 1.00 0.68 N ATOM 288 CA GLU A 18 12.015 0.248 -5.262 1.00 0.74 C ATOM 289 C GLU A 18 11.667 1.300 -4.265 1.00 0.71 C ATOM 290 O GLU A 18 10.474 1.577 -4.156 1.00 0.74 O ATOM 291 CB GLU A 18 12.479 0.990 -6.527 1.00 0.88 C ATOM 292 CG GLU A 18 13.111 0.105 -7.603 1.00 1.16 C ATOM 293 CD GLU A 18 13.762 0.995 -8.653 1.00 1.71 C ATOM 294 OE1 GLU A 18 13.004 1.649 -9.417 1.00 2.35 O ATOM 295 OE2 GLU A 18 15.013 1.144 -8.662 1.00 2.33 O ATOM 0 H GLU A 18 10.120 0.025 -6.088 1.00 0.68 H new ATOM 0 HA GLU A 18 12.788 -0.433 -4.907 1.00 0.74 H new ATOM 0 HB2 GLU A 18 11.623 1.507 -6.961 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.200 1.754 -6.237 1.00 0.88 H new ATOM 0 HG2 GLU A 18 13.853 -0.558 -7.158 1.00 1.16 H new ATOM 0 HG3 GLU A 18 12.353 -0.529 -8.063 1.00 1.16 H new ATOM 302 N PRO A 19 12.523 1.901 -3.493 1.00 0.74 N ATOM 303 CA PRO A 19 12.055 2.786 -2.466 1.00 0.74 C ATOM 304 C PRO A 19 11.746 4.119 -3.055 1.00 0.70 C ATOM 305 O PRO A 19 11.213 5.037 -2.437 1.00 0.74 O ATOM 306 CB PRO A 19 13.238 2.777 -1.502 1.00 0.86 C ATOM 307 CG PRO A 19 14.471 2.339 -2.309 1.00 0.95 C ATOM 308 CD PRO A 19 13.878 1.388 -3.361 1.00 0.82 C ATOM 0 HA PRO A 19 11.127 2.504 -1.968 1.00 0.74 H new ATOM 0 HB2 PRO A 19 13.391 3.766 -1.070 1.00 0.86 H new ATOM 0 HB3 PRO A 19 13.056 2.092 -0.674 1.00 0.86 H new ATOM 0 HG2 PRO A 19 14.973 3.189 -2.771 1.00 0.95 H new ATOM 0 HG3 PRO A 19 15.207 1.837 -1.681 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.424 1.428 -4.303 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.892 0.350 -3.029 1.00 0.82 H new ATOM 316 N SER A 20 12.143 4.402 -4.309 1.00 0.70 N ATOM 317 CA SER A 20 11.980 5.610 -5.056 1.00 0.74 C ATOM 318 C SER A 20 10.667 5.616 -5.760 1.00 0.71 C ATOM 319 O SER A 20 10.198 6.593 -6.342 1.00 0.80 O ATOM 320 CB SER A 20 13.106 5.758 -6.093 1.00 0.89 C ATOM 321 OG SER A 20 14.323 6.116 -5.457 1.00 1.45 O ATOM 0 H SER A 20 12.635 3.699 -4.860 1.00 0.70 H new ATOM 0 HA SER A 20 12.019 6.445 -4.356 1.00 0.74 H new ATOM 0 HB2 SER A 20 13.234 4.821 -6.636 1.00 0.89 H new ATOM 0 HB3 SER A 20 12.835 6.517 -6.827 1.00 0.89 H new ATOM 0 HG SER A 20 15.030 6.205 -6.130 1.00 1.45 H new ATOM 327 N ASP A 21 9.953 4.477 -5.728 1.00 0.70 N ATOM 328 CA ASP A 21 8.602 4.254 -6.141 1.00 0.73 C ATOM 329 C ASP A 21 7.712 5.021 -5.225 1.00 0.64 C ATOM 330 O ASP A 21 8.050 5.254 -4.066 1.00 0.66 O ATOM 331 CB ASP A 21 8.136 2.792 -6.037 1.00 0.87 C ATOM 332 CG ASP A 21 8.759 1.981 -7.165 1.00 1.05 C ATOM 333 OD1 ASP A 21 9.078 2.557 -8.239 1.00 1.69 O ATOM 334 OD2 ASP A 21 8.934 0.737 -7.081 1.00 1.50 O ATOM 0 H ASP A 21 10.372 3.618 -5.372 1.00 0.70 H new ATOM 0 HA ASP A 21 8.554 4.555 -7.187 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.424 2.375 -5.072 1.00 0.87 H new ATOM 0 HB3 ASP A 21 7.049 2.740 -6.095 1.00 0.87 H new ATOM 339 N THR A 22 6.558 5.494 -5.729 1.00 0.63 N ATOM 340 CA THR A 22 5.599 6.190 -4.929 1.00 0.58 C ATOM 341 C THR A 22 4.533 5.325 -4.351 1.00 0.53 C ATOM 342 O THR A 22 4.558 4.119 -4.598 1.00 0.58 O ATOM 343 CB THR A 22 5.064 7.392 -5.650 1.00 0.63 C ATOM 344 OG1 THR A 22 4.422 7.026 -6.862 1.00 0.70 O ATOM 345 CG2 THR A 22 6.222 8.336 -6.014 1.00 0.75 C ATOM 0 H THR A 22 6.287 5.392 -6.707 1.00 0.63 H new ATOM 0 HA THR A 22 6.139 6.548 -4.052 1.00 0.58 H new ATOM 0 HB THR A 22 4.348 7.877 -4.986 1.00 0.63 H new ATOM 0 HG1 THR A 22 5.011 6.437 -7.379 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.830 9.208 -6.538 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.730 8.657 -5.104 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.929 7.813 -6.659 1.00 0.75 H new ATOM 353 N ILE A 23 3.508 5.895 -3.694 1.00 0.51 N ATOM 354 CA ILE A 23 2.401 5.196 -3.118 1.00 0.48 C ATOM 355 C ILE A 23 1.447 4.872 -4.215 1.00 0.48 C ATOM 356 O ILE A 23 0.833 3.807 -4.248 1.00 0.51 O ATOM 357 CB ILE A 23 1.847 6.072 -2.033 1.00 0.52 C ATOM 358 CG1 ILE A 23 2.821 6.313 -0.868 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.648 5.400 -1.342 1.00 0.61 C ATOM 360 CD1 ILE A 23 3.573 5.088 -0.352 1.00 0.73 C ATOM 0 H ILE A 23 3.449 6.904 -3.557 1.00 0.51 H new ATOM 0 HA ILE A 23 2.663 4.245 -2.655 1.00 0.48 H new ATOM 0 HB ILE A 23 1.607 7.000 -2.553 1.00 0.52 H new ATOM 0 HG12 ILE A 23 3.553 7.057 -1.182 1.00 0.60 H new ATOM 0 HG13 ILE A 23 2.262 6.746 -0.038 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.265 6.055 -0.560 1.00 0.61 H new ATOM 0 HG22 ILE A 23 -0.137 5.213 -2.075 1.00 0.61 H new ATOM 0 HG23 ILE A 23 0.965 4.455 -0.901 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.228 5.382 0.468 1.00 0.73 H new ATOM 0 HD12 ILE A 23 2.859 4.345 0.003 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.170 4.661 -1.158 1.00 0.73 H new ATOM 372 N GLU A 24 1.279 5.793 -5.180 1.00 0.50 N ATOM 373 CA GLU A 24 0.646 5.595 -6.446 1.00 0.53 C ATOM 374 C GLU A 24 1.128 4.432 -7.244 1.00 0.50 C ATOM 375 O GLU A 24 0.290 3.655 -7.699 1.00 0.55 O ATOM 376 CB GLU A 24 0.767 6.840 -7.342 1.00 0.64 C ATOM 377 CG GLU A 24 0.018 6.629 -8.658 1.00 0.95 C ATOM 378 CD GLU A 24 -0.059 7.936 -9.434 1.00 1.05 C ATOM 379 OE1 GLU A 24 -0.924 8.785 -9.089 1.00 1.62 O ATOM 380 OE2 GLU A 24 0.715 8.071 -10.419 1.00 1.56 O ATOM 0 H GLU A 24 1.612 6.750 -5.064 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.386 5.390 -6.163 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.364 7.709 -6.823 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.818 7.049 -7.544 1.00 0.64 H new ATOM 0 HG2 GLU A 24 0.525 5.872 -9.256 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -0.987 6.257 -8.458 1.00 0.95 H new ATOM 387 N ASN A 25 2.449 4.246 -7.414 1.00 0.51 N ATOM 388 CA ASN A 25 3.012 3.122 -8.097 1.00 0.52 C ATOM 389 C ASN A 25 2.611 1.826 -7.481 1.00 0.47 C ATOM 390 O ASN A 25 2.335 0.829 -8.146 1.00 0.53 O ATOM 391 CB ASN A 25 4.546 3.115 -7.998 1.00 0.64 C ATOM 392 CG ASN A 25 5.048 4.224 -8.912 1.00 1.23 C ATOM 393 OD1 ASN A 25 5.768 5.082 -8.403 1.00 2.13 O ATOM 394 ND2 ASN A 25 4.753 4.190 -10.239 1.00 1.57 N ATOM 0 H ASN A 25 3.149 4.900 -7.064 1.00 0.51 H new ATOM 0 HA ASN A 25 2.652 3.217 -9.122 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.868 3.285 -6.971 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.949 2.149 -8.303 1.00 0.64 H new ATOM 0 HD21 ASN A 25 5.135 4.899 -10.865 1.00 1.57 H new ATOM 0 HD22 ASN A 25 4.150 3.455 -10.609 1.00 1.57 H new ATOM 401 N VAL A 26 2.766 1.761 -6.146 1.00 0.45 N ATOM 402 CA VAL A 26 2.356 0.667 -5.321 1.00 0.44 C ATOM 403 C VAL A 26 0.912 0.312 -5.426 1.00 0.40 C ATOM 404 O VAL A 26 0.530 -0.793 -5.809 1.00 0.44 O ATOM 405 CB VAL A 26 2.836 0.832 -3.910 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.497 -0.310 -2.938 1.00 0.60 C ATOM 407 CG2 VAL A 26 4.361 1.016 -3.815 1.00 0.62 C ATOM 0 H VAL A 26 3.202 2.514 -5.614 1.00 0.45 H new ATOM 0 HA VAL A 26 2.856 -0.213 -5.727 1.00 0.44 H new ATOM 0 HB VAL A 26 2.288 1.725 -3.609 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.895 -0.078 -1.950 1.00 0.60 H new ATOM 0 HG12 VAL A 26 1.415 -0.425 -2.875 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.940 -1.238 -3.299 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.649 1.130 -2.770 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.860 0.143 -4.235 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.656 1.905 -4.372 1.00 0.62 H new ATOM 417 N LYS A 27 -0.031 1.257 -5.263 1.00 0.40 N ATOM 418 CA LYS A 27 -1.440 1.097 -5.448 1.00 0.41 C ATOM 419 C LYS A 27 -1.844 0.735 -6.835 1.00 0.38 C ATOM 420 O LYS A 27 -2.904 0.240 -7.214 1.00 0.42 O ATOM 421 CB LYS A 27 -2.189 2.369 -5.015 1.00 0.51 C ATOM 422 CG LYS A 27 -2.221 2.807 -3.550 1.00 0.76 C ATOM 423 CD LYS A 27 -3.296 3.828 -3.173 1.00 0.82 C ATOM 424 CE LYS A 27 -2.921 5.281 -3.475 1.00 1.22 C ATOM 425 NZ LYS A 27 -4.022 6.227 -3.190 1.00 1.11 N ATOM 0 H LYS A 27 0.212 2.206 -4.980 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.716 0.253 -4.816 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -1.768 3.197 -5.586 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.224 2.254 -5.336 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.358 1.921 -2.930 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.247 3.226 -3.296 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -4.215 3.584 -3.707 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -3.511 3.735 -2.109 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -2.048 5.557 -2.883 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.636 5.368 -4.523 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -4.026 6.981 -3.906 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -4.930 5.721 -3.216 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -3.885 6.645 -2.248 1.00 1.11 H new ATOM 439 N ALA A 28 -1.009 1.031 -7.848 1.00 0.39 N ATOM 440 CA ALA A 28 -1.178 0.594 -9.198 1.00 0.39 C ATOM 441 C ALA A 28 -0.832 -0.844 -9.382 1.00 0.36 C ATOM 442 O ALA A 28 -1.504 -1.539 -10.143 1.00 0.42 O ATOM 443 CB ALA A 28 -0.284 1.457 -10.103 1.00 0.51 C ATOM 0 H ALA A 28 -0.175 1.604 -7.718 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.230 0.704 -9.461 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.399 1.138 -11.139 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.575 2.503 -10.011 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.757 1.342 -9.802 1.00 0.51 H new ATOM 449 N LYS A 29 0.177 -1.414 -8.699 1.00 0.39 N ATOM 450 CA LYS A 29 0.390 -2.828 -8.738 1.00 0.43 C ATOM 451 C LYS A 29 -0.725 -3.505 -8.019 1.00 0.44 C ATOM 452 O LYS A 29 -1.143 -4.615 -8.346 1.00 0.54 O ATOM 453 CB LYS A 29 1.720 -3.388 -8.207 1.00 0.54 C ATOM 454 CG LYS A 29 2.965 -2.781 -8.858 1.00 0.65 C ATOM 455 CD LYS A 29 4.256 -3.291 -8.215 1.00 1.08 C ATOM 456 CE LYS A 29 5.400 -2.275 -8.203 1.00 1.24 C ATOM 457 NZ LYS A 29 5.931 -2.164 -9.580 1.00 1.44 N ATOM 0 H LYS A 29 0.842 -0.899 -8.122 1.00 0.39 H new ATOM 0 HA LYS A 29 0.431 -3.040 -9.806 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.768 -3.219 -7.131 1.00 0.54 H new ATOM 0 HB3 LYS A 29 1.734 -4.467 -8.361 1.00 0.54 H new ATOM 0 HG2 LYS A 29 2.971 -3.020 -9.921 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.924 -1.695 -8.776 1.00 0.65 H new ATOM 0 HD2 LYS A 29 4.043 -3.592 -7.189 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.585 -4.184 -8.747 1.00 1.08 H new ATOM 0 HE2 LYS A 29 5.045 -1.306 -7.853 1.00 1.24 H new ATOM 0 HE3 LYS A 29 6.185 -2.594 -7.517 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.712 -1.477 -9.597 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 6.280 -3.092 -9.893 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 5.175 -1.844 -10.219 1.00 1.44 H new ATOM 471 N ILE A 30 -1.399 -2.980 -6.980 1.00 0.41 N ATOM 472 CA ILE A 30 -2.513 -3.620 -6.353 1.00 0.44 C ATOM 473 C ILE A 30 -3.720 -3.648 -7.227 1.00 0.45 C ATOM 474 O ILE A 30 -4.455 -4.628 -7.333 1.00 0.56 O ATOM 475 CB ILE A 30 -2.758 -2.964 -5.027 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.534 -2.991 -4.095 1.00 0.52 C ATOM 477 CG2 ILE A 30 -3.858 -3.755 -4.301 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.573 -2.111 -2.846 1.00 1.32 C ATOM 0 H ILE A 30 -1.160 -2.080 -6.563 1.00 0.41 H new ATOM 0 HA ILE A 30 -2.278 -4.671 -6.182 1.00 0.44 H new ATOM 0 HB ILE A 30 -3.018 -1.926 -5.234 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.379 -4.021 -3.775 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.660 -2.704 -4.680 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.056 -3.297 -3.332 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.769 -3.745 -4.900 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -3.531 -4.785 -4.156 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -0.646 -2.232 -2.286 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.686 -1.067 -3.140 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.416 -2.405 -2.220 1.00 1.32 H new ATOM 490 N GLN A 31 -3.861 -2.610 -8.072 1.00 0.41 N ATOM 491 CA GLN A 31 -4.861 -2.604 -9.094 1.00 0.48 C ATOM 492 C GLN A 31 -4.562 -3.699 -10.060 1.00 0.52 C ATOM 493 O GLN A 31 -5.511 -4.352 -10.493 1.00 0.66 O ATOM 494 CB GLN A 31 -4.883 -1.317 -9.937 1.00 0.52 C ATOM 495 CG GLN A 31 -6.165 -1.162 -10.757 1.00 0.70 C ATOM 496 CD GLN A 31 -6.271 0.144 -11.530 1.00 0.97 C ATOM 497 OE1 GLN A 31 -5.281 0.852 -11.708 1.00 1.70 O ATOM 498 NE2 GLN A 31 -7.507 0.453 -12.006 1.00 1.43 N ATOM 0 H GLN A 31 -3.280 -1.772 -8.047 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.814 -2.709 -8.576 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -4.773 -0.456 -9.278 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -4.025 -1.315 -10.610 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -6.232 -1.992 -11.461 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -7.021 -1.242 -10.087 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -8.293 -0.172 -11.828 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -7.648 1.310 -12.541 1.00 1.43 H new ATOM 507 N ASP A 32 -3.289 -3.901 -10.441 1.00 0.50 N ATOM 508 CA ASP A 32 -2.895 -5.063 -11.177 1.00 0.60 C ATOM 509 C ASP A 32 -3.303 -6.356 -10.560 1.00 0.65 C ATOM 510 O ASP A 32 -3.780 -7.261 -11.243 1.00 0.81 O ATOM 511 CB ASP A 32 -1.415 -4.922 -11.567 1.00 0.67 C ATOM 512 CG ASP A 32 -0.994 -5.900 -12.654 1.00 0.91 C ATOM 513 OD1 ASP A 32 -1.832 -6.149 -13.562 1.00 1.55 O ATOM 514 OD2 ASP A 32 0.200 -6.304 -12.659 1.00 1.51 O ATOM 0 H ASP A 32 -2.526 -3.255 -10.238 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.464 -5.112 -12.105 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.230 -3.904 -11.910 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -0.795 -5.079 -10.684 1.00 0.67 H new ATOM 519 N LYS A 33 -3.045 -6.591 -9.261 1.00 0.62 N ATOM 520 CA LYS A 33 -3.374 -7.822 -8.611 1.00 0.73 C ATOM 521 C LYS A 33 -4.826 -8.070 -8.389 1.00 0.69 C ATOM 522 O LYS A 33 -5.449 -8.960 -8.965 1.00 0.83 O ATOM 523 CB LYS A 33 -2.626 -7.950 -7.273 1.00 0.85 C ATOM 524 CG LYS A 33 -1.099 -7.876 -7.328 1.00 1.31 C ATOM 525 CD LYS A 33 -0.306 -8.908 -8.132 1.00 1.71 C ATOM 526 CE LYS A 33 1.208 -8.793 -7.946 1.00 2.26 C ATOM 527 NZ LYS A 33 1.806 -9.684 -8.966 1.00 2.62 N ATOM 0 H LYS A 33 -2.597 -5.910 -8.648 1.00 0.62 H new ATOM 0 HA LYS A 33 -3.051 -8.587 -9.317 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -2.981 -7.162 -6.608 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.904 -8.900 -6.818 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -0.837 -6.892 -7.718 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -0.736 -7.919 -6.301 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -0.625 -9.908 -7.839 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -0.544 -8.794 -9.190 1.00 1.71 H new ATOM 0 HE2 LYS A 33 1.542 -7.764 -8.081 1.00 2.26 H new ATOM 0 HE3 LYS A 33 1.503 -9.095 -6.941 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 2.843 -9.650 -8.891 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 1.479 -10.659 -8.810 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 1.517 -9.369 -9.914 1.00 2.62 H new ATOM 541 N GLU A 34 -5.432 -7.358 -7.422 1.00 0.63 N ATOM 542 CA GLU A 34 -6.744 -7.557 -6.888 1.00 0.67 C ATOM 543 C GLU A 34 -7.805 -6.781 -7.589 1.00 0.69 C ATOM 544 O GLU A 34 -8.981 -7.129 -7.684 1.00 0.95 O ATOM 545 CB GLU A 34 -6.838 -7.255 -5.383 1.00 0.73 C ATOM 546 CG GLU A 34 -6.171 -8.355 -4.553 1.00 0.83 C ATOM 547 CD GLU A 34 -7.067 -9.574 -4.378 1.00 0.95 C ATOM 548 OE1 GLU A 34 -8.190 -9.449 -3.821 1.00 1.37 O ATOM 549 OE2 GLU A 34 -6.683 -10.640 -4.930 1.00 1.48 O ATOM 0 H GLU A 34 -4.959 -6.573 -6.975 1.00 0.63 H new ATOM 0 HA GLU A 34 -6.922 -8.619 -7.055 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -6.362 -6.298 -5.171 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -7.885 -7.162 -5.093 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -5.241 -8.657 -5.035 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -5.907 -7.958 -3.573 1.00 0.83 H new ATOM 556 N GLY A 35 -7.504 -5.610 -8.178 1.00 0.63 N ATOM 557 CA GLY A 35 -8.405 -4.844 -8.982 1.00 0.68 C ATOM 558 C GLY A 35 -9.199 -3.831 -8.231 1.00 0.76 C ATOM 559 O GLY A 35 -10.427 -3.826 -8.159 1.00 1.12 O ATOM 0 H GLY A 35 -6.585 -5.176 -8.089 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.835 -4.336 -9.760 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -9.092 -5.525 -9.484 1.00 0.68 H new ATOM 563 N ILE A 36 -8.471 -2.967 -7.502 1.00 0.70 N ATOM 564 CA ILE A 36 -9.092 -2.024 -6.625 1.00 0.76 C ATOM 565 C ILE A 36 -8.699 -0.689 -7.158 1.00 0.71 C ATOM 566 O ILE A 36 -7.521 -0.502 -7.463 1.00 0.73 O ATOM 567 CB ILE A 36 -8.645 -2.178 -5.202 1.00 0.88 C ATOM 568 CG1 ILE A 36 -8.597 -3.655 -4.772 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.533 -1.312 -4.292 1.00 1.55 C ATOM 570 CD1 ILE A 36 -8.215 -3.863 -3.308 1.00 1.16 C ATOM 0 H ILE A 36 -7.452 -2.921 -7.520 1.00 0.70 H new ATOM 0 HA ILE A 36 -10.172 -2.169 -6.601 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.620 -1.821 -5.107 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -9.573 -4.107 -4.950 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -7.882 -4.183 -5.402 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -9.210 -1.422 -3.257 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -9.448 -0.267 -4.589 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.571 -1.633 -4.384 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -8.203 -4.929 -3.083 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -7.226 -3.443 -3.127 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -8.943 -3.365 -2.668 1.00 1.16 H new ATOM 582 N PRO A 37 -9.472 0.332 -7.377 1.00 0.75 N ATOM 583 CA PRO A 37 -8.977 1.565 -7.916 1.00 0.79 C ATOM 584 C PRO A 37 -7.981 2.312 -7.099 1.00 0.75 C ATOM 585 O PRO A 37 -8.042 2.083 -5.891 1.00 0.75 O ATOM 586 CB PRO A 37 -10.201 2.475 -7.994 1.00 0.95 C ATOM 587 CG PRO A 37 -11.255 1.437 -8.412 1.00 1.02 C ATOM 588 CD PRO A 37 -10.925 0.292 -7.442 1.00 0.85 C ATOM 0 HA PRO A 37 -8.468 1.312 -8.846 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.433 2.949 -7.040 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -10.085 3.274 -8.727 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -12.273 1.806 -8.286 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -11.151 1.139 -9.455 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.378 0.448 -6.463 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -11.287 -0.668 -7.811 1.00 0.85 H new ATOM 596 N PRO A 38 -7.061 3.085 -7.594 1.00 0.81 N ATOM 597 CA PRO A 38 -6.052 3.744 -6.816 1.00 0.85 C ATOM 598 C PRO A 38 -6.605 4.803 -5.925 1.00 0.89 C ATOM 599 O PRO A 38 -5.941 5.229 -4.981 1.00 0.99 O ATOM 600 CB PRO A 38 -5.167 4.498 -7.807 1.00 1.01 C ATOM 601 CG PRO A 38 -5.151 3.562 -9.026 1.00 1.25 C ATOM 602 CD PRO A 38 -6.616 3.099 -8.979 1.00 0.98 C ATOM 0 HA PRO A 38 -5.549 2.988 -6.213 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -5.578 5.477 -8.054 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.165 4.664 -7.411 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -4.900 4.079 -9.952 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.444 2.739 -8.918 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -7.242 3.768 -9.569 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.711 2.105 -9.416 1.00 0.98 H new ATOM 610 N ASP A 39 -7.857 5.211 -6.197 1.00 0.96 N ATOM 611 CA ASP A 39 -8.644 6.115 -5.417 1.00 1.11 C ATOM 612 C ASP A 39 -9.228 5.608 -4.143 1.00 1.00 C ATOM 613 O ASP A 39 -9.311 6.321 -3.144 1.00 1.14 O ATOM 614 CB ASP A 39 -9.887 6.506 -6.234 1.00 1.39 C ATOM 615 CG ASP A 39 -9.573 7.589 -7.257 1.00 1.73 C ATOM 616 OD1 ASP A 39 -8.655 7.445 -8.109 1.00 2.23 O ATOM 617 OD2 ASP A 39 -10.192 8.682 -7.161 1.00 2.25 O ATOM 0 H ASP A 39 -8.356 4.884 -7.025 1.00 0.96 H new ATOM 0 HA ASP A 39 -7.931 6.903 -5.174 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -10.278 5.626 -6.745 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -10.669 6.858 -5.561 1.00 1.39 H new ATOM 622 N GLN A 40 -9.538 4.299 -4.120 1.00 0.87 N ATOM 623 CA GLN A 40 -10.246 3.706 -3.029 1.00 0.84 C ATOM 624 C GLN A 40 -9.314 3.156 -2.004 1.00 0.67 C ATOM 625 O GLN A 40 -9.599 3.060 -0.811 1.00 0.80 O ATOM 626 CB GLN A 40 -11.306 2.721 -3.550 1.00 0.95 C ATOM 627 CG GLN A 40 -12.558 2.733 -2.671 1.00 1.32 C ATOM 628 CD GLN A 40 -13.557 1.713 -3.197 1.00 1.48 C ATOM 629 OE1 GLN A 40 -13.701 0.568 -2.773 1.00 1.70 O ATOM 630 NE2 GLN A 40 -14.479 2.205 -4.070 1.00 2.02 N ATOM 0 H GLN A 40 -9.295 3.646 -4.865 1.00 0.87 H new ATOM 0 HA GLN A 40 -10.803 4.474 -2.493 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -11.575 2.982 -4.573 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -10.888 1.715 -3.577 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -12.293 2.500 -1.640 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -13.004 3.727 -2.669 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -14.381 3.152 -4.435 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -15.268 1.626 -4.358 1.00 2.02 H new ATOM 639 N GLN A 41 -8.102 2.788 -2.457 1.00 0.56 N ATOM 640 CA GLN A 41 -7.078 2.154 -1.685 1.00 0.51 C ATOM 641 C GLN A 41 -6.383 3.095 -0.762 1.00 0.49 C ATOM 642 O GLN A 41 -5.881 4.150 -1.147 1.00 0.65 O ATOM 643 CB GLN A 41 -5.990 1.439 -2.504 1.00 0.67 C ATOM 644 CG GLN A 41 -6.449 0.327 -3.449 1.00 0.69 C ATOM 645 CD GLN A 41 -5.231 -0.013 -4.295 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.119 -0.123 -3.781 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.426 0.081 -5.638 1.00 0.61 N ATOM 0 H GLN A 41 -7.820 2.944 -3.425 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.641 1.405 -1.129 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.463 2.189 -3.094 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.266 1.015 -1.808 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.796 -0.543 -2.892 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.280 0.659 -4.072 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.371 0.171 -6.011 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.627 0.062 -6.272 1.00 0.61 H new ATOM 656 N ARG A 42 -6.547 2.953 0.565 1.00 0.47 N ATOM 657 CA ARG A 42 -5.745 3.646 1.525 1.00 0.55 C ATOM 658 C ARG A 42 -4.777 2.640 2.047 1.00 0.46 C ATOM 659 O ARG A 42 -5.144 1.668 2.705 1.00 0.52 O ATOM 660 CB ARG A 42 -6.512 4.300 2.687 1.00 0.73 C ATOM 661 CG ARG A 42 -6.936 5.709 2.270 1.00 1.04 C ATOM 662 CD ARG A 42 -7.737 6.440 3.350 1.00 1.28 C ATOM 663 NE ARG A 42 -7.738 7.886 2.989 1.00 1.69 N ATOM 664 CZ ARG A 42 -8.569 8.778 3.601 1.00 2.19 C ATOM 665 NH1 ARG A 42 -9.163 8.494 4.796 1.00 2.34 N ATOM 666 NH2 ARG A 42 -8.653 10.052 3.116 1.00 2.78 N ATOM 0 H ARG A 42 -7.252 2.344 0.980 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.273 4.492 1.025 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.387 3.703 2.944 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -5.884 4.343 3.577 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -6.048 6.292 2.028 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -7.535 5.648 1.361 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -8.755 6.055 3.402 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -7.289 6.288 4.332 1.00 1.28 H new ATOM 0 HE ARG A 42 -7.100 8.217 2.265 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -8.989 7.598 5.252 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -9.781 9.178 5.234 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -8.098 10.327 2.305 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -9.271 10.729 3.564 1.00 2.78 H new ATOM 680 N LEU A 43 -3.496 2.981 1.820 1.00 0.46 N ATOM 681 CA LEU A 43 -2.423 2.210 2.366 1.00 0.42 C ATOM 682 C LEU A 43 -2.004 2.878 3.629 1.00 0.43 C ATOM 683 O LEU A 43 -1.851 4.098 3.654 1.00 0.55 O ATOM 684 CB LEU A 43 -1.198 2.172 1.435 1.00 0.55 C ATOM 685 CG LEU A 43 -1.440 1.456 0.096 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.121 1.286 -0.675 1.00 1.17 C ATOM 687 CD2 LEU A 43 -2.217 0.133 0.209 1.00 1.12 C ATOM 0 H LEU A 43 -3.205 3.784 1.263 1.00 0.46 H new ATOM 0 HA LEU A 43 -2.770 1.187 2.513 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -0.878 3.194 1.234 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.377 1.677 1.954 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.100 2.108 -0.476 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.315 0.777 -1.619 1.00 1.17 H new ATOM 0 HD12 LEU A 43 0.314 2.266 -0.873 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.575 0.694 -0.080 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -2.341 -0.302 -0.783 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -1.664 -0.561 0.843 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -3.197 0.323 0.647 1.00 1.12 H new ATOM 699 N ILE A 44 -1.912 2.079 4.707 1.00 0.42 N ATOM 700 CA ILE A 44 -1.599 2.432 6.057 1.00 0.46 C ATOM 701 C ILE A 44 -0.199 2.013 6.347 1.00 0.42 C ATOM 702 O ILE A 44 0.180 0.870 6.096 1.00 0.53 O ATOM 703 CB ILE A 44 -2.583 1.897 7.054 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.041 1.866 6.566 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.499 2.572 8.433 1.00 1.38 C ATOM 706 CD1 ILE A 44 -4.752 3.199 6.342 1.00 1.27 C ATOM 0 H ILE A 44 -2.076 1.076 4.619 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.678 3.514 6.160 1.00 0.46 H new ATOM 0 HB ILE A 44 -2.266 0.860 7.168 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.067 1.312 5.628 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.623 1.295 7.289 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.241 2.132 9.099 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.503 2.424 8.851 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.693 3.639 8.328 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -5.770 3.015 5.999 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -4.779 3.759 7.277 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -4.215 3.776 5.589 1.00 1.27 H new ATOM 718 N PHE A 45 0.558 2.909 7.005 1.00 0.42 N ATOM 719 CA PHE A 45 1.850 2.638 7.555 1.00 0.46 C ATOM 720 C PHE A 45 2.233 3.523 8.691 1.00 0.68 C ATOM 721 O PHE A 45 2.030 4.736 8.664 1.00 1.50 O ATOM 722 CB PHE A 45 2.897 2.511 6.436 1.00 0.56 C ATOM 723 CG PHE A 45 4.253 2.036 6.834 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.642 0.719 6.888 1.00 1.08 C ATOM 725 CD2 PHE A 45 5.243 2.949 7.114 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.812 0.245 7.434 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.460 2.536 7.604 1.00 1.33 C ATOM 728 CZ PHE A 45 6.737 1.202 7.783 1.00 1.02 C ATOM 0 H PHE A 45 0.254 3.870 7.161 1.00 0.42 H new ATOM 0 HA PHE A 45 1.802 1.664 8.041 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.506 1.829 5.681 1.00 0.56 H new ATOM 0 HB3 PHE A 45 3.005 3.485 5.960 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.968 -0.010 6.463 1.00 1.08 H new ATOM 0 HD2 PHE A 45 5.063 4.001 6.947 1.00 1.19 H new ATOM 0 HE1 PHE A 45 5.993 -0.810 7.579 1.00 1.20 H new ATOM 0 HE2 PHE A 45 7.210 3.272 7.852 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.687 0.903 8.200 1.00 1.02 H new ATOM 738 N ALA A 46 2.628 2.881 9.805 1.00 0.81 N ATOM 739 CA ALA A 46 3.057 3.576 10.979 1.00 0.96 C ATOM 740 C ALA A 46 1.994 4.296 11.735 1.00 0.97 C ATOM 741 O ALA A 46 2.260 5.272 12.435 1.00 1.21 O ATOM 742 CB ALA A 46 4.298 4.426 10.665 1.00 1.20 C ATOM 0 H ALA A 46 2.650 1.865 9.892 1.00 0.81 H new ATOM 0 HA ALA A 46 3.343 2.810 11.700 1.00 0.96 H new ATOM 0 HB1 ALA A 46 4.617 4.951 11.565 1.00 1.20 H new ATOM 0 HB2 ALA A 46 5.104 3.779 10.318 1.00 1.20 H new ATOM 0 HB3 ALA A 46 4.055 5.152 9.889 1.00 1.20 H new ATOM 748 N GLY A 47 0.759 3.776 11.617 1.00 0.99 N ATOM 749 CA GLY A 47 -0.397 4.333 12.247 1.00 1.10 C ATOM 750 C GLY A 47 -1.265 5.185 11.384 1.00 1.03 C ATOM 751 O GLY A 47 -2.340 5.616 11.797 1.00 1.30 O ATOM 0 H GLY A 47 0.559 2.942 11.066 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.001 3.516 12.641 1.00 1.10 H new ATOM 0 HA3 GLY A 47 -0.070 4.928 13.100 1.00 1.10 H new ATOM 755 N LYS A 48 -0.717 5.530 10.206 1.00 0.98 N ATOM 756 CA LYS A 48 -1.258 6.539 9.349 1.00 1.05 C ATOM 757 C LYS A 48 -1.308 6.166 7.907 1.00 0.84 C ATOM 758 O LYS A 48 -0.541 5.356 7.389 1.00 0.81 O ATOM 759 CB LYS A 48 -0.626 7.916 9.615 1.00 1.42 C ATOM 760 CG LYS A 48 0.842 8.130 9.242 1.00 1.61 C ATOM 761 CD LYS A 48 1.295 9.590 9.299 1.00 1.87 C ATOM 762 CE LYS A 48 2.812 9.711 9.135 1.00 2.22 C ATOM 763 NZ LYS A 48 3.400 9.256 7.856 1.00 2.55 N ATOM 0 H LYS A 48 0.128 5.094 9.838 1.00 0.98 H new ATOM 0 HA LYS A 48 -2.310 6.623 9.621 1.00 1.05 H new ATOM 0 HB2 LYS A 48 -1.216 8.660 9.080 1.00 1.42 H new ATOM 0 HB3 LYS A 48 -0.732 8.130 10.679 1.00 1.42 H new ATOM 0 HG2 LYS A 48 1.466 7.541 9.914 1.00 1.61 H new ATOM 0 HG3 LYS A 48 1.009 7.748 8.235 1.00 1.61 H new ATOM 0 HD2 LYS A 48 0.796 10.158 8.514 1.00 1.87 H new ATOM 0 HD3 LYS A 48 0.994 10.029 10.250 1.00 1.87 H new ATOM 0 HE2 LYS A 48 3.083 10.757 9.276 1.00 2.22 H new ATOM 0 HE3 LYS A 48 3.283 9.148 9.941 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 4.431 9.394 7.879 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 3.189 8.247 7.716 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 2.995 9.807 7.072 1.00 2.55 H new ATOM 777 N GLN A 49 -2.363 6.604 7.197 1.00 0.84 N ATOM 778 CA GLN A 49 -2.526 6.512 5.778 1.00 0.80 C ATOM 779 C GLN A 49 -1.646 7.425 4.996 1.00 0.72 C ATOM 780 O GLN A 49 -1.380 8.536 5.452 1.00 0.83 O ATOM 781 CB GLN A 49 -4.000 6.659 5.362 1.00 1.03 C ATOM 782 CG GLN A 49 -4.650 8.045 5.335 1.00 1.67 C ATOM 783 CD GLN A 49 -4.875 8.687 6.696 1.00 1.92 C ATOM 784 OE1 GLN A 49 -3.996 8.876 7.536 1.00 2.24 O ATOM 785 NE2 GLN A 49 -6.189 8.923 6.948 1.00 2.48 N ATOM 0 H GLN A 49 -3.159 7.055 7.648 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.196 5.505 5.522 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -4.100 6.234 4.363 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -4.591 6.036 6.034 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -4.025 8.709 4.738 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -5.610 7.967 4.826 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -6.886 8.753 6.223 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -6.479 9.270 7.862 1.00 2.48 H new ATOM 794 N LEU A 50 -1.237 7.037 3.774 1.00 0.69 N ATOM 795 CA LEU A 50 -0.168 7.689 3.086 1.00 0.66 C ATOM 796 C LEU A 50 -0.613 8.401 1.855 1.00 0.72 C ATOM 797 O LEU A 50 -1.598 8.043 1.211 1.00 0.90 O ATOM 798 CB LEU A 50 0.711 6.555 2.532 1.00 0.65 C ATOM 799 CG LEU A 50 1.309 5.574 3.555 1.00 0.64 C ATOM 800 CD1 LEU A 50 1.928 4.320 2.918 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.172 6.261 4.626 1.00 0.74 C ATOM 0 H LEU A 50 -1.654 6.262 3.258 1.00 0.69 H new ATOM 0 HA LEU A 50 0.298 8.391 3.777 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.117 5.982 1.820 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.532 7.004 1.973 1.00 0.65 H new ATOM 0 HG LEU A 50 0.463 5.179 4.118 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.329 3.675 3.700 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.163 3.780 2.359 1.00 0.77 H new ATOM 0 HD13 LEU A 50 2.731 4.614 2.242 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.562 5.512 5.315 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.002 6.780 4.147 1.00 0.74 H new ATOM 0 HD23 LEU A 50 1.565 6.979 5.177 1.00 0.74 H new ATOM 813 N GLU A 51 0.070 9.515 1.531 1.00 0.70 N ATOM 814 CA GLU A 51 -0.241 10.200 0.315 1.00 0.76 C ATOM 815 C GLU A 51 0.287 9.528 -0.906 1.00 0.77 C ATOM 816 O GLU A 51 1.362 8.928 -0.910 1.00 1.23 O ATOM 817 CB GLU A 51 0.275 11.649 0.329 1.00 0.88 C ATOM 818 CG GLU A 51 0.097 12.392 1.654 1.00 1.35 C ATOM 819 CD GLU A 51 0.761 13.746 1.862 1.00 1.46 C ATOM 820 OE1 GLU A 51 1.363 14.268 0.887 1.00 1.94 O ATOM 821 OE2 GLU A 51 0.519 14.367 2.931 1.00 1.89 O ATOM 0 H GLU A 51 0.814 9.931 2.091 1.00 0.70 H new ATOM 0 HA GLU A 51 -1.330 10.186 0.267 1.00 0.76 H new ATOM 0 HB2 GLU A 51 1.335 11.643 0.074 1.00 0.88 H new ATOM 0 HB3 GLU A 51 -0.238 12.208 -0.454 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -0.973 12.529 1.808 1.00 1.35 H new ATOM 0 HG3 GLU A 51 0.451 11.732 2.446 1.00 1.35 H new ATOM 828 N ASP A 52 -0.415 9.761 -2.028 1.00 0.66 N ATOM 829 CA ASP A 52 -0.154 9.015 -3.221 1.00 0.65 C ATOM 830 C ASP A 52 1.097 9.363 -3.951 1.00 0.60 C ATOM 831 O ASP A 52 1.830 8.458 -4.346 1.00 0.62 O ATOM 832 CB ASP A 52 -1.261 9.508 -4.169 1.00 0.81 C ATOM 833 CG ASP A 52 -2.655 8.948 -3.926 1.00 0.95 C ATOM 834 OD1 ASP A 52 -3.132 9.166 -2.780 1.00 1.56 O ATOM 835 OD2 ASP A 52 -3.161 8.236 -4.834 1.00 1.44 O ATOM 0 H ASP A 52 -1.156 10.457 -2.111 1.00 0.66 H new ATOM 0 HA ASP A 52 -0.093 7.960 -2.954 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.312 10.595 -4.100 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -0.969 9.267 -5.191 1.00 0.81 H new ATOM 840 N GLY A 53 1.383 10.637 -4.273 1.00 0.68 N ATOM 841 CA GLY A 53 2.673 10.971 -4.790 1.00 0.73 C ATOM 842 C GLY A 53 3.806 11.206 -3.851 1.00 0.72 C ATOM 843 O GLY A 53 4.675 12.037 -4.110 1.00 0.97 O ATOM 0 H GLY A 53 0.737 11.421 -4.178 1.00 0.68 H new ATOM 0 HA2 GLY A 53 2.971 10.169 -5.466 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.559 11.871 -5.394 1.00 0.73 H new ATOM 847 N ARG A 54 3.898 10.539 -2.687 1.00 0.64 N ATOM 848 CA ARG A 54 5.084 10.414 -1.898 1.00 0.63 C ATOM 849 C ARG A 54 5.795 9.142 -2.211 1.00 0.59 C ATOM 850 O ARG A 54 5.189 8.221 -2.758 1.00 0.62 O ATOM 851 CB ARG A 54 4.759 10.538 -0.399 1.00 0.69 C ATOM 852 CG ARG A 54 4.053 11.780 0.147 1.00 0.82 C ATOM 853 CD ARG A 54 4.970 13.000 0.258 1.00 1.18 C ATOM 854 NE ARG A 54 4.081 14.086 0.757 1.00 1.50 N ATOM 855 CZ ARG A 54 4.504 15.365 0.533 1.00 2.00 C ATOM 856 NH1 ARG A 54 5.776 15.628 0.113 1.00 2.48 N ATOM 857 NH2 ARG A 54 3.507 16.298 0.530 1.00 2.49 N ATOM 0 H ARG A 54 3.098 10.060 -2.273 1.00 0.64 H new ATOM 0 HA ARG A 54 5.757 11.233 -2.152 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.146 9.677 -0.131 1.00 0.69 H new ATOM 0 HB3 ARG A 54 5.700 10.440 0.142 1.00 0.69 H new ATOM 0 HG2 ARG A 54 3.211 12.025 -0.501 1.00 0.82 H new ATOM 0 HG3 ARG A 54 3.642 11.553 1.131 1.00 0.82 H new ATOM 0 HD2 ARG A 54 5.796 12.815 0.945 1.00 1.18 H new ATOM 0 HD3 ARG A 54 5.409 13.257 -0.706 1.00 1.18 H new ATOM 0 HE ARG A 54 3.205 13.885 1.239 1.00 1.50 H new ATOM 0 HH11 ARG A 54 6.431 14.861 -0.040 1.00 2.48 H new ATOM 0 HH12 ARG A 54 6.071 16.591 -0.048 1.00 2.48 H new ATOM 0 HH21 ARG A 54 2.541 16.012 0.687 1.00 2.49 H new ATOM 0 HH22 ARG A 54 3.729 17.281 0.371 1.00 2.49 H new ATOM 871 N THR A 55 7.117 9.061 -1.978 1.00 0.63 N ATOM 872 CA THR A 55 7.965 7.920 -2.124 1.00 0.61 C ATOM 873 C THR A 55 7.977 7.096 -0.882 1.00 0.59 C ATOM 874 O THR A 55 7.595 7.449 0.232 1.00 0.64 O ATOM 875 CB THR A 55 9.335 8.168 -2.681 1.00 0.68 C ATOM 876 OG1 THR A 55 10.203 8.751 -1.719 1.00 0.75 O ATOM 877 CG2 THR A 55 9.255 9.077 -3.919 1.00 0.76 C ATOM 0 H THR A 55 7.640 9.875 -1.656 1.00 0.63 H new ATOM 0 HA THR A 55 7.501 7.339 -2.921 1.00 0.61 H new ATOM 0 HB THR A 55 9.746 7.199 -2.963 1.00 0.68 H new ATOM 0 HG1 THR A 55 9.844 9.618 -1.437 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.258 9.247 -4.311 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.643 8.598 -4.683 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.807 10.031 -3.641 1.00 0.76 H new ATOM 885 N LEU A 56 8.495 5.860 -1.006 1.00 0.58 N ATOM 886 CA LEU A 56 8.618 4.955 0.094 1.00 0.59 C ATOM 887 C LEU A 56 9.807 5.320 0.914 1.00 0.64 C ATOM 888 O LEU A 56 9.840 4.866 2.058 1.00 0.70 O ATOM 889 CB LEU A 56 8.612 3.523 -0.466 1.00 0.60 C ATOM 890 CG LEU A 56 7.356 3.026 -1.202 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.729 1.780 -2.024 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.292 2.769 -0.121 1.00 1.03 C ATOM 0 H LEU A 56 8.836 5.482 -1.890 1.00 0.58 H new ATOM 0 HA LEU A 56 7.778 5.018 0.786 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.455 3.432 -1.151 1.00 0.60 H new ATOM 0 HB3 LEU A 56 8.801 2.842 0.364 1.00 0.60 H new ATOM 0 HG LEU A 56 6.952 3.746 -1.914 1.00 0.63 H new ATOM 0 HD11 LEU A 56 6.848 1.415 -2.552 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.504 2.039 -2.746 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.100 1.002 -1.357 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.375 2.413 -0.590 1.00 1.03 H new ATOM 0 HD22 LEU A 56 6.658 2.017 0.578 1.00 1.03 H new ATOM 0 HD23 LEU A 56 6.088 3.695 0.416 1.00 1.03 H new ATOM 904 N SER A 57 10.766 6.069 0.343 1.00 0.68 N ATOM 905 CA SER A 57 11.918 6.638 0.973 1.00 0.75 C ATOM 906 C SER A 57 11.568 7.762 1.886 1.00 0.76 C ATOM 907 O SER A 57 12.330 8.012 2.821 1.00 0.84 O ATOM 908 CB SER A 57 12.973 7.123 -0.036 1.00 0.84 C ATOM 909 OG SER A 57 13.771 6.026 -0.457 1.00 1.19 O ATOM 0 H SER A 57 10.731 6.297 -0.651 1.00 0.68 H new ATOM 0 HA SER A 57 12.347 5.824 1.558 1.00 0.75 H new ATOM 0 HB2 SER A 57 12.484 7.581 -0.896 1.00 0.84 H new ATOM 0 HB3 SER A 57 13.601 7.889 0.419 1.00 0.84 H new ATOM 0 HG SER A 57 14.441 6.337 -1.101 1.00 1.19 H new ATOM 915 N ASP A 58 10.468 8.473 1.586 1.00 0.75 N ATOM 916 CA ASP A 58 9.850 9.464 2.411 1.00 0.78 C ATOM 917 C ASP A 58 9.213 8.932 3.650 1.00 0.77 C ATOM 918 O ASP A 58 9.440 9.497 4.718 1.00 0.86 O ATOM 919 CB ASP A 58 8.731 10.276 1.740 1.00 0.83 C ATOM 920 CG ASP A 58 9.204 11.059 0.523 1.00 1.23 C ATOM 921 OD1 ASP A 58 10.037 11.996 0.648 1.00 1.90 O ATOM 922 OD2 ASP A 58 8.753 10.715 -0.603 1.00 1.86 O ATOM 0 H ASP A 58 9.975 8.346 0.702 1.00 0.75 H new ATOM 0 HA ASP A 58 10.716 10.089 2.630 1.00 0.78 H new ATOM 0 HB2 ASP A 58 7.930 9.600 1.440 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.308 10.969 2.467 1.00 0.83 H new ATOM 927 N TYR A 59 8.614 7.729 3.604 1.00 0.72 N ATOM 928 CA TYR A 59 7.991 7.076 4.714 1.00 0.73 C ATOM 929 C TYR A 59 8.953 6.128 5.344 1.00 0.76 C ATOM 930 O TYR A 59 8.552 5.403 6.252 1.00 0.89 O ATOM 931 CB TYR A 59 6.708 6.320 4.329 1.00 0.73 C ATOM 932 CG TYR A 59 5.580 7.227 3.972 1.00 0.67 C ATOM 933 CD1 TYR A 59 4.940 8.076 4.844 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.157 7.233 2.664 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.036 9.025 4.429 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.190 8.103 2.219 1.00 0.70 C ATOM 937 CZ TYR A 59 3.658 9.009 3.107 1.00 0.74 C ATOM 938 OH TYR A 59 2.591 9.887 2.824 1.00 0.86 O ATOM 0 H TYR A 59 8.562 7.182 2.745 1.00 0.72 H new ATOM 0 HA TYR A 59 7.703 7.858 5.417 1.00 0.73 H new ATOM 0 HB2 TYR A 59 6.920 5.663 3.485 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.405 5.683 5.160 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.157 7.994 5.899 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.596 6.535 1.967 1.00 0.67 H new ATOM 0 HE1 TYR A 59 3.637 9.756 5.116 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.855 8.076 1.193 1.00 0.70 H new ATOM 0 HH TYR A 59 2.625 10.651 3.437 1.00 0.86 H new ATOM 948 N ASN A 60 10.231 6.137 4.925 1.00 0.74 N ATOM 949 CA ASN A 60 11.314 5.283 5.304 1.00 0.79 C ATOM 950 C ASN A 60 10.978 3.832 5.343 1.00 0.75 C ATOM 951 O ASN A 60 11.280 3.075 6.265 1.00 0.86 O ATOM 952 CB ASN A 60 12.011 5.745 6.595 1.00 0.95 C ATOM 953 CG ASN A 60 12.215 7.251 6.681 1.00 1.25 C ATOM 954 OD1 ASN A 60 11.527 7.882 7.483 1.00 1.84 O ATOM 955 ND2 ASN A 60 13.058 7.916 5.846 1.00 1.83 N ATOM 0 H ASN A 60 10.538 6.827 4.239 1.00 0.74 H new ATOM 0 HA ASN A 60 12.032 5.387 4.490 1.00 0.79 H new ATOM 0 HB2 ASN A 60 11.421 5.419 7.451 1.00 0.95 H new ATOM 0 HB3 ASN A 60 12.980 5.252 6.669 1.00 0.95 H new ATOM 0 HD21 ASN A 60 13.118 8.933 5.886 1.00 1.83 H new ATOM 0 HD22 ASN A 60 13.630 7.397 5.180 1.00 1.83 H new ATOM 962 N ILE A 61 10.183 3.395 4.351 1.00 0.67 N ATOM 963 CA ILE A 61 9.693 2.059 4.223 1.00 0.65 C ATOM 964 C ILE A 61 10.831 1.263 3.680 1.00 0.66 C ATOM 965 O ILE A 61 11.171 1.484 2.520 1.00 0.75 O ATOM 966 CB ILE A 61 8.435 2.023 3.407 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.330 2.557 4.334 1.00 0.70 C ATOM 968 CG2 ILE A 61 8.207 0.621 2.817 1.00 0.72 C ATOM 969 CD1 ILE A 61 5.973 2.795 3.674 1.00 0.82 C ATOM 0 H ILE A 61 9.866 4.007 3.599 1.00 0.67 H new ATOM 0 HA ILE A 61 9.383 1.622 5.172 1.00 0.65 H new ATOM 0 HB ILE A 61 8.468 2.653 2.518 1.00 0.63 H new ATOM 0 HG12 ILE A 61 7.196 1.852 5.154 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.670 3.495 4.773 1.00 0.70 H new ATOM 0 HG21 ILE A 61 7.289 0.618 2.229 1.00 0.72 H new ATOM 0 HG22 ILE A 61 9.048 0.354 2.177 1.00 0.72 H new ATOM 0 HG23 ILE A 61 8.122 -0.105 3.626 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.268 3.171 4.416 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.081 3.527 2.873 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.600 1.858 3.261 1.00 0.82 H new ATOM 981 N GLN A 62 11.441 0.455 4.566 1.00 0.67 N ATOM 982 CA GLN A 62 12.495 -0.500 4.421 1.00 0.70 C ATOM 983 C GLN A 62 12.040 -1.791 3.833 1.00 0.62 C ATOM 984 O GLN A 62 10.898 -1.938 3.400 1.00 0.64 O ATOM 985 CB GLN A 62 13.222 -0.780 5.748 1.00 0.85 C ATOM 986 CG GLN A 62 13.915 0.383 6.459 1.00 1.27 C ATOM 987 CD GLN A 62 14.527 -0.164 7.741 1.00 1.57 C ATOM 988 OE1 GLN A 62 14.786 -1.361 7.858 1.00 2.08 O ATOM 989 NE2 GLN A 62 14.941 0.803 8.604 1.00 2.16 N ATOM 0 H GLN A 62 11.139 0.483 5.540 1.00 0.67 H new ATOM 0 HA GLN A 62 13.193 -0.034 3.725 1.00 0.70 H new ATOM 0 HB2 GLN A 62 12.496 -1.207 6.440 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.972 -1.548 5.560 1.00 0.85 H new ATOM 0 HG2 GLN A 62 14.685 0.818 5.822 1.00 1.27 H new ATOM 0 HG3 GLN A 62 13.201 1.176 6.683 1.00 1.27 H new ATOM 0 HE21 GLN A 62 14.685 1.777 8.440 1.00 2.16 H new ATOM 0 HE22 GLN A 62 15.507 0.554 9.415 1.00 2.16 H new ATOM 998 N LYS A 63 12.859 -2.858 3.829 1.00 0.64 N ATOM 999 CA LYS A 63 12.391 -4.142 3.408 1.00 0.62 C ATOM 1000 C LYS A 63 11.546 -4.836 4.420 1.00 0.59 C ATOM 1001 O LYS A 63 11.614 -4.673 5.637 1.00 0.66 O ATOM 1002 CB LYS A 63 13.611 -4.962 2.955 1.00 0.74 C ATOM 1003 CG LYS A 63 14.458 -5.520 4.100 1.00 0.89 C ATOM 1004 CD LYS A 63 15.766 -6.150 3.616 1.00 1.11 C ATOM 1005 CE LYS A 63 16.646 -6.701 4.740 1.00 1.47 C ATOM 1006 NZ LYS A 63 16.069 -8.011 5.119 1.00 2.12 N ATOM 0 H LYS A 63 13.838 -2.833 4.115 1.00 0.64 H new ATOM 0 HA LYS A 63 11.707 -4.017 2.568 1.00 0.62 H new ATOM 0 HB2 LYS A 63 13.267 -5.791 2.336 1.00 0.74 H new ATOM 0 HB3 LYS A 63 14.242 -4.335 2.325 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.684 -4.718 4.803 1.00 0.89 H new ATOM 0 HG3 LYS A 63 13.879 -6.267 4.644 1.00 0.89 H new ATOM 0 HD2 LYS A 63 15.533 -6.958 2.922 1.00 1.11 H new ATOM 0 HD3 LYS A 63 16.332 -5.404 3.058 1.00 1.11 H new ATOM 0 HE2 LYS A 63 17.678 -6.813 4.406 1.00 1.47 H new ATOM 0 HE3 LYS A 63 16.659 -6.021 5.592 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 16.592 -8.400 5.929 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 15.070 -7.888 5.379 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 16.139 -8.667 4.315 1.00 2.12 H new ATOM 1020 N GLU A 64 10.743 -5.755 3.856 1.00 0.57 N ATOM 1021 CA GLU A 64 9.976 -6.672 4.642 1.00 0.58 C ATOM 1022 C GLU A 64 8.891 -5.985 5.399 1.00 0.56 C ATOM 1023 O GLU A 64 8.468 -6.452 6.455 1.00 0.70 O ATOM 1024 CB GLU A 64 10.931 -7.615 5.391 1.00 0.72 C ATOM 1025 CG GLU A 64 11.737 -8.505 4.442 1.00 0.96 C ATOM 1026 CD GLU A 64 12.698 -9.364 5.251 1.00 1.18 C ATOM 1027 OE1 GLU A 64 13.610 -8.744 5.862 1.00 1.69 O ATOM 1028 OE2 GLU A 64 12.483 -10.603 5.324 1.00 1.71 O ATOM 0 H GLU A 64 10.624 -5.864 2.849 1.00 0.57 H new ATOM 0 HA GLU A 64 9.382 -7.347 4.026 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.616 -7.025 6.000 1.00 0.72 H new ATOM 0 HB3 GLU A 64 10.357 -8.242 6.073 1.00 0.72 H new ATOM 0 HG2 GLU A 64 11.066 -9.138 3.861 1.00 0.96 H new ATOM 0 HG3 GLU A 64 12.290 -7.891 3.731 1.00 0.96 H new ATOM 1035 N SER A 65 8.447 -4.796 4.951 1.00 0.51 N ATOM 1036 CA SER A 65 7.507 -3.901 5.551 1.00 0.51 C ATOM 1037 C SER A 65 6.107 -4.256 5.184 1.00 0.43 C ATOM 1038 O SER A 65 5.744 -4.429 4.021 1.00 0.50 O ATOM 1039 CB SER A 65 7.588 -2.417 5.156 1.00 0.65 C ATOM 1040 OG SER A 65 8.782 -1.812 5.630 1.00 1.04 O ATOM 0 H SER A 65 8.789 -4.423 4.065 1.00 0.51 H new ATOM 0 HA SER A 65 7.769 -4.016 6.603 1.00 0.51 H new ATOM 0 HB2 SER A 65 7.540 -2.326 4.071 1.00 0.65 H new ATOM 0 HB3 SER A 65 6.726 -1.886 5.559 1.00 0.65 H new ATOM 0 HG SER A 65 9.467 -1.847 4.930 1.00 1.04 H new ATOM 1046 N THR A 66 5.189 -4.459 6.146 1.00 0.45 N ATOM 1047 CA THR A 66 3.817 -4.765 5.884 1.00 0.45 C ATOM 1048 C THR A 66 3.097 -3.460 5.858 1.00 0.43 C ATOM 1049 O THR A 66 3.072 -2.685 6.813 1.00 0.58 O ATOM 1050 CB THR A 66 3.262 -5.650 6.959 1.00 0.61 C ATOM 1051 OG1 THR A 66 4.009 -6.857 6.927 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.769 -5.888 6.676 1.00 0.78 C ATOM 0 H THR A 66 5.410 -4.408 7.141 1.00 0.45 H new ATOM 0 HA THR A 66 3.703 -5.298 4.940 1.00 0.45 H new ATOM 0 HB THR A 66 3.342 -5.205 7.951 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.677 -7.466 7.620 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.350 -6.531 7.450 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.243 -4.934 6.673 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.655 -6.369 5.704 1.00 0.78 H new ATOM 1060 N LEU A 67 2.469 -3.161 4.707 1.00 0.38 N ATOM 1061 CA LEU A 67 1.687 -1.996 4.432 1.00 0.38 C ATOM 1062 C LEU A 67 0.275 -2.467 4.498 1.00 0.37 C ATOM 1063 O LEU A 67 0.014 -3.569 4.018 1.00 0.50 O ATOM 1064 CB LEU A 67 1.904 -1.290 3.083 1.00 0.46 C ATOM 1065 CG LEU A 67 3.193 -0.453 3.034 1.00 0.65 C ATOM 1066 CD1 LEU A 67 4.518 -1.235 3.084 1.00 1.40 C ATOM 1067 CD2 LEU A 67 3.218 0.349 1.722 1.00 1.31 C ATOM 0 H LEU A 67 2.513 -3.787 3.903 1.00 0.38 H new ATOM 0 HA LEU A 67 1.981 -1.236 5.156 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.934 -2.038 2.290 1.00 0.46 H new ATOM 0 HB3 LEU A 67 1.051 -0.643 2.878 1.00 0.46 H new ATOM 0 HG LEU A 67 3.149 0.155 3.938 1.00 0.65 H new ATOM 0 HD11 LEU A 67 5.354 -0.537 3.043 1.00 1.40 H new ATOM 0 HD12 LEU A 67 4.568 -1.807 4.011 1.00 1.40 H new ATOM 0 HD13 LEU A 67 4.571 -1.916 2.234 1.00 1.40 H new ATOM 0 HD21 LEU A 67 4.129 0.946 1.678 1.00 1.31 H new ATOM 0 HD22 LEU A 67 3.193 -0.337 0.876 1.00 1.31 H new ATOM 0 HD23 LEU A 67 2.350 1.007 1.681 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.713 -1.778 5.096 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.049 -2.283 5.182 1.00 0.37 C ATOM 1081 C HIS A 68 -3.038 -1.601 4.301 1.00 0.35 C ATOM 1082 O HIS A 68 -3.008 -0.377 4.188 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.687 -2.207 6.578 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.612 -2.626 7.536 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -0.815 -1.703 8.184 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -1.223 -3.839 8.015 1.00 1.48 C ATOM 1087 CE1 HIS A 68 0.028 -2.400 8.993 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -0.212 -3.696 8.942 1.00 1.51 N ATOM 0 H HIS A 68 -0.585 -0.861 5.524 1.00 0.35 H new ATOM 0 HA HIS A 68 -1.875 -3.314 4.874 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -3.034 -1.197 6.796 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.554 -2.864 6.649 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -1.648 -4.784 7.711 1.00 1.48 H new ATOM 0 HE1 HIS A 68 0.798 -1.948 9.601 1.00 1.41 H new ATOM 0 HE2 HIS A 68 0.250 -4.433 9.474 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.939 -2.350 3.640 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.931 -1.828 2.752 1.00 0.38 C ATOM 1098 C LEU A 69 -6.250 -1.691 3.430 1.00 0.41 C ATOM 1099 O LEU A 69 -6.928 -2.637 3.830 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.959 -2.739 1.513 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.813 -2.310 0.307 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.109 -2.715 -0.998 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -7.266 -2.815 0.317 1.00 1.14 C ATOM 0 H LEU A 69 -3.977 -3.365 3.729 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.685 -0.815 2.435 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.933 -2.859 1.167 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -5.305 -3.722 1.832 1.00 0.48 H new ATOM 0 HG LEU A 69 -5.898 -1.226 0.380 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -5.717 -2.409 -1.849 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -4.136 -2.227 -1.053 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.974 -3.796 -1.018 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -7.781 -2.458 -0.575 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -7.272 -3.905 0.328 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -7.775 -2.440 1.205 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.663 -0.438 3.698 1.00 0.45 N ATOM 1116 CA VAL A 70 -7.913 0.014 4.222 1.00 0.56 C ATOM 1117 C VAL A 70 -8.700 0.758 3.199 1.00 0.55 C ATOM 1118 O VAL A 70 -8.195 1.579 2.434 1.00 0.58 O ATOM 1119 CB VAL A 70 -7.647 0.834 5.449 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -8.938 1.524 5.922 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -6.943 0.037 6.560 1.00 0.97 C ATOM 0 H VAL A 70 -6.040 0.350 3.524 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.528 -0.843 4.498 1.00 0.56 H new ATOM 0 HB VAL A 70 -6.938 1.617 5.180 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -8.729 2.115 6.813 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -9.312 2.177 5.133 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -9.689 0.770 6.155 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -6.777 0.683 7.422 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -7.567 -0.807 6.854 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -5.985 -0.331 6.193 1.00 0.97 H new ATOM 1131 N LEU A 71 -9.989 0.447 2.974 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.691 1.181 1.968 1.00 0.84 C ATOM 1133 C LEU A 71 -11.253 2.490 2.405 1.00 0.85 C ATOM 1134 O LEU A 71 -11.821 2.552 3.493 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.888 0.454 1.332 1.00 1.26 C ATOM 1136 CG LEU A 71 -11.472 -0.826 0.587 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -12.731 -1.634 0.228 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -10.623 -0.617 -0.679 1.00 2.78 C ATOM 0 H LEU A 71 -10.523 -0.274 3.460 1.00 0.73 H new ATOM 0 HA LEU A 71 -9.878 1.313 1.254 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -12.609 0.200 2.109 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -12.391 1.127 0.638 1.00 1.26 H new ATOM 0 HG LEU A 71 -10.822 -1.362 1.279 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -12.442 -2.542 -0.300 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -13.266 -1.899 1.140 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -13.379 -1.034 -0.411 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -10.387 -1.584 -1.123 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -11.181 -0.015 -1.396 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -9.698 -0.103 -0.416 1.00 2.78 H new