USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 593 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 15 THR OG1 : rot -120:sc= -0.152 USER MOD Set 1.2: A 18 THR OG1 : rot 148:sc= 0.859 USER MOD Set 2.1: A 2 THR OG1 : rot 103:sc= 1.06 USER MOD Set 2.2: A 4 THR OG1 : rot 96:sc= 1.82 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 150:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 167:sc= -0.199 (180deg=-0.706) USER MOD Single : A 13 CYS SG : rot -82:sc= -0.304! USER MOD Single : A 14 THR OG1 : rot 77:sc= -1.56! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -8.64! C(o=-8.6!,f=-15!) USER MOD Single : A 27 LYS NZ :NH3+ 160:sc= -0.0833 (180deg=-0.748) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -71:sc= 1.3 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HE2:sc= -1.16 K(o=-1.2,f=-3.4!) USER MOD Single : A 50 THR OG1 : rot 69:sc= 0.761 USER MOD Single : A 51 MET CE :methyl -159:sc= -0.226 (180deg=-1.07) USER MOD Single : A 52 ASN : amide:sc= -3.19! C(o=-3.2!,f=-11!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 50:sc= 1.31 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 65 HIS : no HE2:sc= 0.00867 X(o=0.0087,f=-0.081) USER MOD Single : A 67 LYS NZ :NH3+ 157:sc= -0.124 (180deg=-0.905) USER MOD Single : A 68 HIS : no HD1:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 69 HIS : no HE2:sc= 0.382 K(o=0.38,f=-1.8!) USER MOD Single : A 70 HIS : no HD1:sc= -4.37! C(o=-4.4!,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 73.066 -10.026 1.726 1.00 1.00 N ATOM 2 CA GLY A 1 72.452 -9.081 0.749 1.00 1.00 C ATOM 3 C GLY A 1 72.604 -7.652 1.259 1.00 1.00 C ATOM 4 O GLY A 1 71.618 -6.982 1.565 1.00 1.00 O ATOM 0 H1 GLY A 1 72.962 -11.001 1.378 1.00 1.00 H new ATOM 0 H2 GLY A 1 74.076 -9.803 1.837 1.00 1.00 H new ATOM 0 H3 GLY A 1 72.588 -9.934 2.645 1.00 1.00 H new ATOM 0 HA2 GLY A 1 72.932 -9.184 -0.224 1.00 1.00 H new ATOM 0 HA3 GLY A 1 71.397 -9.319 0.611 1.00 1.00 H new ATOM 10 N THR A 2 73.850 -7.196 1.350 1.00 1.00 N ATOM 11 CA THR A 2 74.138 -5.845 1.828 1.00 1.00 C ATOM 12 C THR A 2 73.873 -4.812 0.738 1.00 1.00 C ATOM 13 O THR A 2 73.761 -5.148 -0.440 1.00 1.00 O ATOM 14 CB THR A 2 75.599 -5.758 2.269 1.00 1.00 C ATOM 15 OG1 THR A 2 76.436 -6.172 1.198 1.00 1.00 O ATOM 16 CG2 THR A 2 75.823 -6.670 3.477 1.00 1.00 C ATOM 0 H THR A 2 74.676 -7.740 1.100 1.00 1.00 H new ATOM 0 HA THR A 2 73.482 -5.632 2.672 1.00 1.00 H new ATOM 0 HB THR A 2 75.839 -4.731 2.544 1.00 1.00 H new ATOM 0 HG1 THR A 2 76.833 -5.385 0.770 1.00 1.00 H new ATOM 0 HG21 THR A 2 76.865 -6.608 3.791 1.00 1.00 H new ATOM 0 HG22 THR A 2 75.177 -6.354 4.296 1.00 1.00 H new ATOM 0 HG23 THR A 2 75.587 -7.699 3.205 1.00 1.00 H new ATOM 24 N LYS A 3 73.771 -3.546 1.151 1.00 1.00 N ATOM 25 CA LYS A 3 73.513 -2.431 0.226 1.00 1.00 C ATOM 26 C LYS A 3 74.683 -2.242 -0.756 1.00 1.00 C ATOM 27 O LYS A 3 74.515 -1.613 -1.797 1.00 1.00 O ATOM 28 CB LYS A 3 73.103 -1.149 0.962 1.00 1.00 C ATOM 29 CG LYS A 3 72.326 -0.207 0.031 1.00 1.00 C ATOM 30 CD LYS A 3 72.071 1.168 0.712 1.00 1.00 C ATOM 31 CE LYS A 3 70.853 1.097 1.645 1.00 1.00 C ATOM 32 NZ LYS A 3 70.696 2.404 2.346 1.00 1.00 N ATOM 0 H LYS A 3 73.863 -3.263 2.127 1.00 1.00 H new ATOM 0 HA LYS A 3 72.647 -2.691 -0.383 1.00 1.00 H new ATOM 0 HB2 LYS A 3 72.488 -1.402 1.826 1.00 1.00 H new ATOM 0 HB3 LYS A 3 73.991 -0.642 1.340 1.00 1.00 H new ATOM 0 HG2 LYS A 3 72.886 -0.061 -0.893 1.00 1.00 H new ATOM 0 HG3 LYS A 3 71.374 -0.663 -0.242 1.00 1.00 H new ATOM 0 HD2 LYS A 3 72.952 1.467 1.279 1.00 1.00 H new ATOM 0 HD3 LYS A 3 71.908 1.931 -0.049 1.00 1.00 H new ATOM 0 HE2 LYS A 3 69.954 0.867 1.073 1.00 1.00 H new ATOM 0 HE3 LYS A 3 70.982 0.294 2.371 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 69.872 2.361 2.979 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 71.551 2.604 2.903 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 70.555 3.159 1.645 1.00 1.00 H new ATOM 46 N THR A 4 75.841 -2.829 -0.486 1.00 1.00 N ATOM 47 CA THR A 4 76.948 -2.735 -1.450 1.00 1.00 C ATOM 48 C THR A 4 76.433 -3.135 -2.856 1.00 1.00 C ATOM 49 O THR A 4 76.539 -2.364 -3.810 1.00 1.00 O ATOM 50 CB THR A 4 78.011 -3.749 -1.021 1.00 1.00 C ATOM 51 OG1 THR A 4 77.394 -5.007 -0.778 1.00 1.00 O ATOM 52 CG2 THR A 4 78.700 -3.265 0.257 1.00 1.00 C ATOM 0 H THR A 4 76.043 -3.360 0.361 1.00 1.00 H new ATOM 0 HA THR A 4 77.350 -1.722 -1.479 1.00 1.00 H new ATOM 0 HB THR A 4 78.752 -3.852 -1.814 1.00 1.00 H new ATOM 0 HG1 THR A 4 77.464 -5.566 -1.580 1.00 1.00 H new ATOM 0 HG21 THR A 4 79.456 -3.989 0.559 1.00 1.00 H new ATOM 0 HG22 THR A 4 79.174 -2.301 0.072 1.00 1.00 H new ATOM 0 HG23 THR A 4 77.961 -3.159 1.051 1.00 1.00 H new ATOM 60 N ASP A 5 75.864 -4.330 -2.948 1.00 1.00 N ATOM 61 CA ASP A 5 75.300 -4.866 -4.200 1.00 1.00 C ATOM 62 C ASP A 5 74.285 -3.925 -4.851 1.00 1.00 C ATOM 63 O ASP A 5 74.234 -3.796 -6.076 1.00 1.00 O ATOM 64 CB ASP A 5 74.541 -6.143 -3.857 1.00 1.00 C ATOM 65 CG ASP A 5 75.475 -7.149 -3.193 1.00 1.00 C ATOM 66 OD1 ASP A 5 76.344 -6.721 -2.452 1.00 1.00 O ATOM 67 OD2 ASP A 5 75.307 -8.334 -3.436 1.00 1.00 O ATOM 0 H ASP A 5 75.776 -4.966 -2.156 1.00 1.00 H new ATOM 0 HA ASP A 5 76.130 -5.016 -4.891 1.00 1.00 H new ATOM 0 HB2 ASP A 5 73.710 -5.913 -3.191 1.00 1.00 H new ATOM 0 HB3 ASP A 5 74.114 -6.575 -4.762 1.00 1.00 H new ATOM 72 N TYR A 6 73.484 -3.279 -4.021 1.00 1.00 N ATOM 73 CA TYR A 6 72.457 -2.346 -4.486 1.00 1.00 C ATOM 74 C TYR A 6 73.073 -1.108 -5.117 1.00 1.00 C ATOM 75 O TYR A 6 72.801 -0.781 -6.272 1.00 1.00 O ATOM 76 CB TYR A 6 71.608 -1.896 -3.269 1.00 1.00 C ATOM 77 CG TYR A 6 70.656 -3.015 -2.841 1.00 1.00 C ATOM 78 CD1 TYR A 6 71.169 -4.213 -2.332 1.00 1.00 C ATOM 79 CD2 TYR A 6 69.267 -2.852 -2.963 1.00 1.00 C ATOM 80 CE1 TYR A 6 70.301 -5.242 -1.945 1.00 1.00 C ATOM 81 CE2 TYR A 6 68.400 -3.881 -2.577 1.00 1.00 C ATOM 82 CZ TYR A 6 68.917 -5.074 -2.067 1.00 1.00 C ATOM 83 OH TYR A 6 68.063 -6.088 -1.685 1.00 1.00 O ATOM 0 H TYR A 6 73.522 -3.382 -3.007 1.00 1.00 H new ATOM 0 HA TYR A 6 71.848 -2.854 -5.234 1.00 1.00 H new ATOM 0 HB2 TYR A 6 72.263 -1.629 -2.439 1.00 1.00 H new ATOM 0 HB3 TYR A 6 71.038 -1.003 -3.525 1.00 1.00 H new ATOM 0 HD1 TYR A 6 72.237 -4.345 -2.237 1.00 1.00 H new ATOM 0 HD2 TYR A 6 68.866 -1.929 -3.356 1.00 1.00 H new ATOM 0 HE1 TYR A 6 70.700 -6.166 -1.552 1.00 1.00 H new ATOM 0 HE2 TYR A 6 67.332 -3.752 -2.673 1.00 1.00 H new ATOM 0 HH TYR A 6 67.216 -5.703 -1.376 1.00 1.00 H new ATOM 93 N LEU A 7 73.860 -0.395 -4.328 1.00 1.00 N ATOM 94 CA LEU A 7 74.462 0.838 -4.784 1.00 1.00 C ATOM 95 C LEU A 7 75.450 0.607 -5.908 1.00 1.00 C ATOM 96 O LEU A 7 75.509 1.391 -6.846 1.00 1.00 O ATOM 97 CB LEU A 7 75.197 1.512 -3.608 1.00 1.00 C ATOM 98 CG LEU A 7 74.184 2.092 -2.573 1.00 1.00 C ATOM 99 CD1 LEU A 7 74.803 2.115 -1.168 1.00 1.00 C ATOM 100 CD2 LEU A 7 73.789 3.527 -2.945 1.00 1.00 C ATOM 0 H LEU A 7 74.094 -0.652 -3.369 1.00 1.00 H new ATOM 0 HA LEU A 7 73.662 1.476 -5.161 1.00 1.00 H new ATOM 0 HB2 LEU A 7 75.848 0.788 -3.118 1.00 1.00 H new ATOM 0 HB3 LEU A 7 75.836 2.311 -3.984 1.00 1.00 H new ATOM 0 HG LEU A 7 73.303 1.451 -2.583 1.00 1.00 H new ATOM 0 HD11 LEU A 7 74.082 2.523 -0.459 1.00 1.00 H new ATOM 0 HD12 LEU A 7 75.070 1.101 -0.871 1.00 1.00 H new ATOM 0 HD13 LEU A 7 75.697 2.738 -1.175 1.00 1.00 H new ATOM 0 HD21 LEU A 7 73.082 3.912 -2.210 1.00 1.00 H new ATOM 0 HD22 LEU A 7 74.678 4.157 -2.958 1.00 1.00 H new ATOM 0 HD23 LEU A 7 73.326 3.533 -3.932 1.00 1.00 H new ATOM 112 N MET A 8 76.271 -0.448 -5.802 1.00 1.00 N ATOM 113 CA MET A 8 77.276 -0.645 -6.851 1.00 1.00 C ATOM 114 C MET A 8 76.524 -0.946 -8.142 1.00 1.00 C ATOM 115 O MET A 8 76.702 -0.262 -9.150 1.00 1.00 O ATOM 116 CB MET A 8 78.259 -1.767 -6.486 1.00 1.00 C ATOM 117 CG MET A 8 79.275 -1.283 -5.429 1.00 1.00 C ATOM 118 SD MET A 8 80.654 -2.454 -5.346 1.00 1.00 S ATOM 119 CE MET A 8 81.678 -1.714 -6.645 1.00 1.00 C ATOM 0 H MET A 8 76.264 -1.138 -5.050 1.00 1.00 H new ATOM 0 HA MET A 8 77.885 0.251 -6.971 1.00 1.00 H new ATOM 0 HB2 MET A 8 77.710 -2.627 -6.102 1.00 1.00 H new ATOM 0 HB3 MET A 8 78.787 -2.099 -7.380 1.00 1.00 H new ATOM 0 HG2 MET A 8 79.641 -0.290 -5.688 1.00 1.00 H new ATOM 0 HG3 MET A 8 78.793 -1.201 -4.455 1.00 1.00 H new ATOM 0 HE1 MET A 8 82.595 -2.292 -6.759 1.00 1.00 H new ATOM 0 HE2 MET A 8 81.129 -1.715 -7.586 1.00 1.00 H new ATOM 0 HE3 MET A 8 81.927 -0.689 -6.372 1.00 1.00 H new ATOM 129 N ARG A 9 75.736 -2.014 -8.124 1.00 1.00 N ATOM 130 CA ARG A 9 75.024 -2.445 -9.318 1.00 1.00 C ATOM 131 C ARG A 9 74.266 -1.274 -9.955 1.00 1.00 C ATOM 132 O ARG A 9 74.346 -1.072 -11.167 1.00 1.00 O ATOM 133 CB ARG A 9 74.056 -3.557 -8.902 1.00 1.00 C ATOM 134 CG ARG A 9 73.353 -4.173 -10.116 1.00 1.00 C ATOM 135 CD ARG A 9 72.269 -5.157 -9.637 1.00 1.00 C ATOM 136 NE ARG A 9 71.812 -5.986 -10.750 1.00 1.00 N ATOM 137 CZ ARG A 9 72.597 -6.919 -11.288 1.00 1.00 C ATOM 138 NH1 ARG A 9 73.797 -7.117 -10.817 1.00 1.00 N ATOM 139 NH2 ARG A 9 72.165 -7.640 -12.286 1.00 1.00 N ATOM 0 H ARG A 9 75.575 -2.594 -7.300 1.00 1.00 H new ATOM 0 HA ARG A 9 75.727 -2.814 -10.065 1.00 1.00 H new ATOM 0 HB2 ARG A 9 74.601 -4.332 -8.364 1.00 1.00 H new ATOM 0 HB3 ARG A 9 73.312 -3.155 -8.215 1.00 1.00 H new ATOM 0 HG2 ARG A 9 72.904 -3.389 -10.726 1.00 1.00 H new ATOM 0 HG3 ARG A 9 74.077 -4.691 -10.745 1.00 1.00 H new ATOM 0 HD2 ARG A 9 72.667 -5.789 -8.843 1.00 1.00 H new ATOM 0 HD3 ARG A 9 71.428 -4.606 -9.215 1.00 1.00 H new ATOM 0 HE ARG A 9 70.873 -5.848 -11.123 1.00 1.00 H new ATOM 0 HH11 ARG A 9 74.137 -6.557 -10.035 1.00 1.00 H new ATOM 0 HH12 ARG A 9 74.396 -7.832 -11.231 1.00 1.00 H new ATOM 0 HH21 ARG A 9 71.226 -7.490 -12.655 1.00 1.00 H new ATOM 0 HH22 ARG A 9 72.766 -8.354 -12.697 1.00 1.00 H new ATOM 153 N LEU A 10 73.557 -0.496 -9.153 1.00 1.00 N ATOM 154 CA LEU A 10 72.829 0.658 -9.681 1.00 1.00 C ATOM 155 C LEU A 10 73.784 1.758 -10.145 1.00 1.00 C ATOM 156 O LEU A 10 73.647 2.307 -11.235 1.00 1.00 O ATOM 157 CB LEU A 10 71.966 1.244 -8.537 1.00 1.00 C ATOM 158 CG LEU A 10 70.798 0.291 -8.205 1.00 1.00 C ATOM 159 CD1 LEU A 10 70.108 0.789 -6.920 1.00 1.00 C ATOM 160 CD2 LEU A 10 69.768 0.236 -9.379 1.00 1.00 C ATOM 0 H LEU A 10 73.467 -0.635 -8.147 1.00 1.00 H new ATOM 0 HA LEU A 10 72.228 0.329 -10.529 1.00 1.00 H new ATOM 0 HB2 LEU A 10 72.581 1.399 -7.651 1.00 1.00 H new ATOM 0 HB3 LEU A 10 71.577 2.219 -8.829 1.00 1.00 H new ATOM 0 HG LEU A 10 71.188 -0.716 -8.058 1.00 1.00 H new ATOM 0 HD11 LEU A 10 69.279 0.126 -6.671 1.00 1.00 H new ATOM 0 HD12 LEU A 10 70.826 0.795 -6.100 1.00 1.00 H new ATOM 0 HD13 LEU A 10 69.729 1.799 -7.078 1.00 1.00 H new ATOM 0 HD21 LEU A 10 68.956 -0.443 -9.119 1.00 1.00 H new ATOM 0 HD22 LEU A 10 69.365 1.233 -9.557 1.00 1.00 H new ATOM 0 HD23 LEU A 10 70.264 -0.121 -10.282 1.00 1.00 H new ATOM 172 N ARG A 11 74.646 2.163 -9.222 1.00 1.00 N ATOM 173 CA ARG A 11 75.518 3.317 -9.466 1.00 1.00 C ATOM 174 C ARG A 11 76.329 3.175 -10.764 1.00 1.00 C ATOM 175 O ARG A 11 76.800 4.171 -11.303 1.00 1.00 O ATOM 176 CB ARG A 11 76.407 3.591 -8.228 1.00 1.00 C ATOM 177 CG ARG A 11 77.311 4.888 -8.388 1.00 1.00 C ATOM 178 CD ARG A 11 77.056 5.891 -7.210 1.00 1.00 C ATOM 179 NE ARG A 11 77.379 5.251 -5.940 1.00 1.00 N ATOM 180 CZ ARG A 11 78.634 4.962 -5.607 1.00 1.00 C ATOM 181 NH1 ARG A 11 79.617 5.279 -6.407 1.00 1.00 N ATOM 182 NH2 ARG A 11 78.882 4.366 -4.474 1.00 1.00 N ATOM 0 H ARG A 11 74.764 1.722 -8.310 1.00 1.00 H new ATOM 0 HA ARG A 11 74.886 4.192 -9.617 1.00 1.00 H new ATOM 0 HB2 ARG A 11 75.772 3.704 -7.349 1.00 1.00 H new ATOM 0 HB3 ARG A 11 77.048 2.728 -8.050 1.00 1.00 H new ATOM 0 HG2 ARG A 11 78.363 4.604 -8.409 1.00 1.00 H new ATOM 0 HG3 ARG A 11 77.093 5.374 -9.339 1.00 1.00 H new ATOM 0 HD2 ARG A 11 77.665 6.785 -7.343 1.00 1.00 H new ATOM 0 HD3 ARG A 11 76.014 6.212 -7.212 1.00 1.00 H new ATOM 0 HE ARG A 11 76.626 5.020 -5.292 1.00 1.00 H new ATOM 0 HH11 ARG A 11 79.424 5.750 -7.291 1.00 1.00 H new ATOM 0 HH12 ARG A 11 80.578 5.056 -6.148 1.00 1.00 H new ATOM 0 HH21 ARG A 11 78.115 4.123 -3.847 1.00 1.00 H new ATOM 0 HH22 ARG A 11 79.843 4.143 -4.215 1.00 1.00 H new ATOM 196 N LYS A 12 76.465 1.953 -11.310 1.00 1.00 N ATOM 197 CA LYS A 12 77.209 1.761 -12.586 1.00 1.00 C ATOM 198 C LYS A 12 76.221 1.718 -13.764 1.00 1.00 C ATOM 199 O LYS A 12 76.634 1.543 -14.910 1.00 1.00 O ATOM 200 CB LYS A 12 78.076 0.471 -12.521 1.00 1.00 C ATOM 201 CG LYS A 12 79.476 0.779 -11.930 1.00 1.00 C ATOM 202 CD LYS A 12 79.334 1.365 -10.513 1.00 1.00 C ATOM 203 CE LYS A 12 80.727 1.571 -9.871 1.00 1.00 C ATOM 204 NZ LYS A 12 81.712 1.954 -10.921 1.00 1.00 N ATOM 0 H LYS A 12 76.083 1.098 -10.906 1.00 1.00 H new ATOM 0 HA LYS A 12 77.884 2.603 -12.739 1.00 1.00 H new ATOM 0 HB2 LYS A 12 77.575 -0.279 -11.909 1.00 1.00 H new ATOM 0 HB3 LYS A 12 78.183 0.048 -13.520 1.00 1.00 H new ATOM 0 HG2 LYS A 12 80.074 -0.132 -11.897 1.00 1.00 H new ATOM 0 HG3 LYS A 12 80.004 1.484 -12.572 1.00 1.00 H new ATOM 0 HD2 LYS A 12 78.803 2.316 -10.558 1.00 1.00 H new ATOM 0 HD3 LYS A 12 78.737 0.695 -9.894 1.00 1.00 H new ATOM 0 HE2 LYS A 12 80.675 2.347 -9.107 1.00 1.00 H new ATOM 0 HE3 LYS A 12 81.048 0.656 -9.374 1.00 1.00 H new ATOM 0 HZ1 LYS A 12 82.582 2.303 -10.470 1.00 1.00 H new ATOM 0 HZ2 LYS A 12 81.935 1.124 -11.507 1.00 1.00 H new ATOM 0 HZ3 LYS A 12 81.308 2.702 -11.520 1.00 1.00 H new ATOM 218 N CYS A 13 74.924 1.901 -13.486 1.00 1.00 N ATOM 219 CA CYS A 13 73.914 1.902 -14.558 1.00 1.00 C ATOM 220 C CYS A 13 74.359 2.848 -15.674 1.00 1.00 C ATOM 221 O CYS A 13 74.359 2.487 -16.850 1.00 1.00 O ATOM 222 CB CYS A 13 72.556 2.352 -14.009 1.00 1.00 C ATOM 223 SG CYS A 13 72.704 4.021 -13.326 1.00 1.00 S ATOM 0 H CYS A 13 74.552 2.048 -12.548 1.00 1.00 H new ATOM 0 HA CYS A 13 73.814 0.891 -14.953 1.00 1.00 H new ATOM 0 HB2 CYS A 13 71.808 2.337 -14.802 1.00 1.00 H new ATOM 0 HB3 CYS A 13 72.216 1.661 -13.238 1.00 1.00 H new ATOM 0 HG CYS A 13 73.181 3.955 -12.118 1.00 1.00 H new ATOM 229 N THR A 14 74.790 4.041 -15.270 1.00 1.00 N ATOM 230 CA THR A 14 75.311 5.046 -16.201 1.00 1.00 C ATOM 231 C THR A 14 74.219 5.773 -17.004 1.00 1.00 C ATOM 232 O THR A 14 74.532 6.709 -17.737 1.00 1.00 O ATOM 233 CB THR A 14 76.328 4.374 -17.167 1.00 1.00 C ATOM 234 OG1 THR A 14 76.982 3.315 -16.485 1.00 1.00 O ATOM 235 CG2 THR A 14 77.382 5.382 -17.646 1.00 1.00 C ATOM 0 H THR A 14 74.789 4.340 -14.295 1.00 1.00 H new ATOM 0 HA THR A 14 75.799 5.812 -15.598 1.00 1.00 H new ATOM 0 HB THR A 14 75.786 3.998 -18.034 1.00 1.00 H new ATOM 0 HG1 THR A 14 76.380 2.544 -16.424 1.00 1.00 H new ATOM 0 HG21 THR A 14 78.080 4.886 -18.320 1.00 1.00 H new ATOM 0 HG22 THR A 14 76.890 6.201 -18.171 1.00 1.00 H new ATOM 0 HG23 THR A 14 77.925 5.776 -16.787 1.00 1.00 H new ATOM 243 N THR A 15 72.943 5.365 -16.889 1.00 1.00 N ATOM 244 CA THR A 15 71.861 6.035 -17.646 1.00 1.00 C ATOM 245 C THR A 15 70.577 6.147 -16.817 1.00 1.00 C ATOM 246 O THR A 15 70.170 5.207 -16.134 1.00 1.00 O ATOM 247 CB THR A 15 71.582 5.253 -18.952 1.00 1.00 C ATOM 248 OG1 THR A 15 71.598 3.864 -18.671 1.00 1.00 O ATOM 249 CG2 THR A 15 72.665 5.555 -20.002 1.00 1.00 C ATOM 0 H THR A 15 72.636 4.594 -16.296 1.00 1.00 H new ATOM 0 HA THR A 15 72.190 7.047 -17.884 1.00 1.00 H new ATOM 0 HB THR A 15 70.610 5.555 -19.342 1.00 1.00 H new ATOM 0 HG1 THR A 15 72.295 3.430 -19.206 1.00 1.00 H new ATOM 0 HG21 THR A 15 72.453 4.997 -20.914 1.00 1.00 H new ATOM 0 HG22 THR A 15 72.670 6.622 -20.223 1.00 1.00 H new ATOM 0 HG23 THR A 15 73.640 5.260 -19.614 1.00 1.00 H new ATOM 257 N ILE A 16 69.949 7.309 -16.916 1.00 1.00 N ATOM 258 CA ILE A 16 68.701 7.531 -16.190 1.00 1.00 C ATOM 259 C ILE A 16 67.587 6.703 -16.838 1.00 1.00 C ATOM 260 O ILE A 16 66.933 5.907 -16.163 1.00 1.00 O ATOM 261 CB ILE A 16 68.315 9.022 -16.218 1.00 1.00 C ATOM 262 CG1 ILE A 16 69.376 9.855 -15.478 1.00 1.00 C ATOM 263 CG2 ILE A 16 66.950 9.217 -15.541 1.00 1.00 C ATOM 264 CD1 ILE A 16 69.176 11.344 -15.791 1.00 1.00 C ATOM 0 H ILE A 16 70.271 8.098 -17.477 1.00 1.00 H new ATOM 0 HA ILE A 16 68.838 7.226 -15.152 1.00 1.00 H new ATOM 0 HB ILE A 16 68.258 9.353 -17.255 1.00 1.00 H new ATOM 0 HG12 ILE A 16 69.301 9.686 -14.404 1.00 1.00 H new ATOM 0 HG13 ILE A 16 70.375 9.541 -15.781 1.00 1.00 H new ATOM 0 HG21 ILE A 16 66.681 10.273 -15.563 1.00 1.00 H new ATOM 0 HG22 ILE A 16 66.194 8.639 -16.073 1.00 1.00 H new ATOM 0 HG23 ILE A 16 67.005 8.878 -14.507 1.00 1.00 H new ATOM 0 HD11 ILE A 16 69.929 11.931 -15.265 1.00 1.00 H new ATOM 0 HD12 ILE A 16 69.274 11.506 -16.864 1.00 1.00 H new ATOM 0 HD13 ILE A 16 68.183 11.654 -15.466 1.00 1.00 H new ATOM 276 N ASP A 17 67.313 6.952 -18.110 1.00 1.00 N ATOM 277 CA ASP A 17 66.201 6.281 -18.782 1.00 1.00 C ATOM 278 C ASP A 17 66.260 4.762 -18.589 1.00 1.00 C ATOM 279 O ASP A 17 65.247 4.063 -18.628 1.00 1.00 O ATOM 280 CB ASP A 17 66.219 6.606 -20.280 1.00 1.00 C ATOM 281 CG ASP A 17 67.482 6.039 -20.918 1.00 1.00 C ATOM 282 OD1 ASP A 17 68.381 5.674 -20.181 1.00 1.00 O ATOM 283 OD2 ASP A 17 67.532 5.977 -22.136 1.00 1.00 O ATOM 0 H ASP A 17 67.835 7.604 -18.695 1.00 1.00 H new ATOM 0 HA ASP A 17 65.276 6.646 -18.335 1.00 1.00 H new ATOM 0 HB2 ASP A 17 65.337 6.186 -20.763 1.00 1.00 H new ATOM 0 HB3 ASP A 17 66.179 7.685 -20.428 1.00 1.00 H new ATOM 288 N THR A 18 67.484 4.289 -18.326 1.00 1.00 N ATOM 289 CA THR A 18 67.719 2.853 -18.053 1.00 1.00 C ATOM 290 C THR A 18 67.311 2.538 -16.618 1.00 1.00 C ATOM 291 O THR A 18 66.680 1.515 -16.351 1.00 1.00 O ATOM 292 CB THR A 18 69.166 2.444 -18.321 1.00 1.00 C ATOM 293 OG1 THR A 18 69.577 2.959 -19.581 1.00 1.00 O ATOM 294 CG2 THR A 18 69.284 0.920 -18.327 1.00 1.00 C ATOM 0 H THR A 18 68.324 4.867 -18.295 1.00 1.00 H new ATOM 0 HA THR A 18 67.105 2.269 -18.738 1.00 1.00 H new ATOM 0 HB THR A 18 69.805 2.847 -17.535 1.00 1.00 H new ATOM 0 HG1 THR A 18 70.534 3.167 -19.553 1.00 1.00 H new ATOM 0 HG21 THR A 18 70.319 0.636 -18.519 1.00 1.00 H new ATOM 0 HG22 THR A 18 68.973 0.527 -17.359 1.00 1.00 H new ATOM 0 HG23 THR A 18 68.644 0.509 -19.108 1.00 1.00 H new ATOM 302 N LEU A 19 67.727 3.398 -15.689 1.00 1.00 N ATOM 303 CA LEU A 19 67.453 3.178 -14.265 1.00 1.00 C ATOM 304 C LEU A 19 65.997 2.738 -14.064 1.00 1.00 C ATOM 305 O LEU A 19 65.701 1.883 -13.246 1.00 1.00 O ATOM 306 CB LEU A 19 67.700 4.482 -13.480 1.00 1.00 C ATOM 307 CG LEU A 19 67.737 4.194 -11.943 1.00 1.00 C ATOM 308 CD1 LEU A 19 69.143 3.739 -11.503 1.00 1.00 C ATOM 309 CD2 LEU A 19 67.370 5.463 -11.151 1.00 1.00 C ATOM 0 H LEU A 19 68.252 4.249 -15.892 1.00 1.00 H new ATOM 0 HA LEU A 19 68.118 2.395 -13.900 1.00 1.00 H new ATOM 0 HB2 LEU A 19 68.642 4.931 -13.795 1.00 1.00 H new ATOM 0 HB3 LEU A 19 66.913 5.203 -13.703 1.00 1.00 H new ATOM 0 HG LEU A 19 67.016 3.403 -11.740 1.00 1.00 H new ATOM 0 HD11 LEU A 19 69.144 3.545 -10.430 1.00 1.00 H new ATOM 0 HD12 LEU A 19 69.414 2.828 -12.037 1.00 1.00 H new ATOM 0 HD13 LEU A 19 69.867 4.522 -11.730 1.00 1.00 H new ATOM 0 HD21 LEU A 19 67.400 5.247 -10.083 1.00 1.00 H new ATOM 0 HD22 LEU A 19 68.083 6.255 -11.381 1.00 1.00 H new ATOM 0 HD23 LEU A 19 66.367 5.787 -11.427 1.00 1.00 H new ATOM 321 N GLU A 20 65.126 3.276 -14.900 1.00 1.00 N ATOM 322 CA GLU A 20 63.718 2.890 -14.888 1.00 1.00 C ATOM 323 C GLU A 20 63.610 1.427 -15.312 1.00 1.00 C ATOM 324 O GLU A 20 62.947 0.622 -14.658 1.00 1.00 O ATOM 325 CB GLU A 20 62.958 3.773 -15.881 1.00 1.00 C ATOM 326 CG GLU A 20 62.856 5.210 -15.335 1.00 1.00 C ATOM 327 CD GLU A 20 61.803 5.289 -14.233 1.00 1.00 C ATOM 328 OE1 GLU A 20 61.171 4.279 -13.972 1.00 1.00 O ATOM 329 OE2 GLU A 20 61.645 6.359 -13.669 1.00 1.00 O ATOM 0 H GLU A 20 65.365 3.981 -15.597 1.00 1.00 H new ATOM 0 HA GLU A 20 63.294 3.015 -13.891 1.00 1.00 H new ATOM 0 HB2 GLU A 20 63.470 3.776 -16.843 1.00 1.00 H new ATOM 0 HB3 GLU A 20 61.961 3.368 -16.051 1.00 1.00 H new ATOM 0 HG2 GLU A 20 63.823 5.527 -14.945 1.00 1.00 H new ATOM 0 HG3 GLU A 20 62.598 5.895 -16.143 1.00 1.00 H new ATOM 336 N ARG A 21 64.196 1.126 -16.457 1.00 1.00 N ATOM 337 CA ARG A 21 64.077 -0.223 -17.016 1.00 1.00 C ATOM 338 C ARG A 21 64.423 -1.279 -15.952 1.00 1.00 C ATOM 339 O ARG A 21 63.668 -2.235 -15.769 1.00 1.00 O ATOM 340 CB ARG A 21 65.003 -0.390 -18.227 1.00 1.00 C ATOM 341 CG ARG A 21 64.724 -1.752 -18.895 1.00 1.00 C ATOM 342 CD ARG A 21 65.502 -1.887 -20.216 1.00 1.00 C ATOM 343 NE ARG A 21 65.345 -3.240 -20.751 1.00 1.00 N ATOM 344 CZ ARG A 21 65.766 -3.556 -21.974 1.00 1.00 C ATOM 345 NH1 ARG A 21 66.341 -2.656 -22.722 1.00 1.00 N ATOM 346 NH2 ARG A 21 65.604 -4.770 -22.428 1.00 1.00 N ATOM 0 H ARG A 21 64.750 1.777 -17.014 1.00 1.00 H new ATOM 0 HA ARG A 21 63.045 -0.365 -17.337 1.00 1.00 H new ATOM 0 HB2 ARG A 21 64.839 0.418 -18.940 1.00 1.00 H new ATOM 0 HB3 ARG A 21 66.045 -0.332 -17.914 1.00 1.00 H new ATOM 0 HG2 ARG A 21 65.007 -2.558 -18.218 1.00 1.00 H new ATOM 0 HG3 ARG A 21 63.656 -1.856 -19.085 1.00 1.00 H new ATOM 0 HD2 ARG A 21 65.138 -1.156 -20.939 1.00 1.00 H new ATOM 0 HD3 ARG A 21 66.558 -1.673 -20.050 1.00 1.00 H new ATOM 0 HE ARG A 21 64.904 -3.956 -20.175 1.00 1.00 H new ATOM 0 HH11 ARG A 21 66.469 -1.707 -22.371 1.00 1.00 H new ATOM 0 HH12 ARG A 21 66.663 -2.901 -23.658 1.00 1.00 H new ATOM 0 HH21 ARG A 21 65.155 -5.477 -21.846 1.00 1.00 H new ATOM 0 HH22 ARG A 21 65.927 -5.011 -23.365 1.00 1.00 H new ATOM 360 N VAL A 22 65.541 -1.119 -15.250 1.00 1.00 N ATOM 361 CA VAL A 22 65.924 -2.090 -14.219 1.00 1.00 C ATOM 362 C VAL A 22 64.942 -2.058 -13.020 1.00 1.00 C ATOM 363 O VAL A 22 64.524 -3.102 -12.521 1.00 1.00 O ATOM 364 CB VAL A 22 67.369 -1.780 -13.762 1.00 1.00 C ATOM 365 CG1 VAL A 22 67.730 -2.576 -12.502 1.00 1.00 C ATOM 366 CG2 VAL A 22 68.345 -2.144 -14.890 1.00 1.00 C ATOM 0 H VAL A 22 66.191 -0.342 -15.369 1.00 1.00 H new ATOM 0 HA VAL A 22 65.879 -3.096 -14.636 1.00 1.00 H new ATOM 0 HB VAL A 22 67.439 -0.717 -13.530 1.00 1.00 H new ATOM 0 HG11 VAL A 22 68.751 -2.339 -12.202 1.00 1.00 H new ATOM 0 HG12 VAL A 22 67.045 -2.312 -11.696 1.00 1.00 H new ATOM 0 HG13 VAL A 22 67.651 -3.643 -12.711 1.00 1.00 H new ATOM 0 HG21 VAL A 22 69.365 -1.927 -14.573 1.00 1.00 H new ATOM 0 HG22 VAL A 22 68.255 -3.205 -15.121 1.00 1.00 H new ATOM 0 HG23 VAL A 22 68.109 -1.558 -15.778 1.00 1.00 H new ATOM 376 N ILE A 23 64.676 -0.859 -12.513 1.00 1.00 N ATOM 377 CA ILE A 23 63.846 -0.726 -11.297 1.00 1.00 C ATOM 378 C ILE A 23 62.578 -1.608 -11.397 1.00 1.00 C ATOM 379 O ILE A 23 62.291 -2.367 -10.472 1.00 1.00 O ATOM 380 CB ILE A 23 63.485 0.766 -11.020 1.00 1.00 C ATOM 381 CG1 ILE A 23 64.733 1.517 -10.478 1.00 1.00 C ATOM 382 CG2 ILE A 23 62.362 0.866 -9.964 1.00 1.00 C ATOM 383 CD1 ILE A 23 64.546 3.031 -10.633 1.00 1.00 C ATOM 0 H ILE A 23 65.009 0.022 -12.906 1.00 1.00 H new ATOM 0 HA ILE A 23 64.431 -1.081 -10.448 1.00 1.00 H new ATOM 0 HB ILE A 23 63.149 1.213 -11.955 1.00 1.00 H new ATOM 0 HG12 ILE A 23 64.890 1.268 -9.429 1.00 1.00 H new ATOM 0 HG13 ILE A 23 65.623 1.196 -11.018 1.00 1.00 H new ATOM 0 HG21 ILE A 23 62.124 1.914 -9.784 1.00 1.00 H new ATOM 0 HG22 ILE A 23 61.474 0.349 -10.328 1.00 1.00 H new ATOM 0 HG23 ILE A 23 62.695 0.405 -9.034 1.00 1.00 H new ATOM 0 HD11 ILE A 23 65.426 3.547 -10.250 1.00 1.00 H new ATOM 0 HD12 ILE A 23 64.412 3.275 -11.687 1.00 1.00 H new ATOM 0 HD13 ILE A 23 63.667 3.348 -10.072 1.00 1.00 H new ATOM 395 N GLU A 24 61.837 -1.539 -12.494 1.00 1.00 N ATOM 396 CA GLU A 24 60.640 -2.382 -12.628 1.00 1.00 C ATOM 397 C GLU A 24 61.032 -3.870 -12.552 1.00 1.00 C ATOM 398 O GLU A 24 60.293 -4.708 -12.040 1.00 1.00 O ATOM 399 CB GLU A 24 59.941 -2.080 -13.962 1.00 1.00 C ATOM 400 CG GLU A 24 58.780 -3.056 -14.188 1.00 1.00 C ATOM 401 CD GLU A 24 57.913 -2.584 -15.350 1.00 1.00 C ATOM 402 OE1 GLU A 24 58.298 -1.626 -16.000 1.00 1.00 O ATOM 403 OE2 GLU A 24 56.877 -3.188 -15.575 1.00 1.00 O ATOM 0 H GLU A 24 62.029 -0.929 -13.288 1.00 1.00 H new ATOM 0 HA GLU A 24 59.952 -2.162 -11.812 1.00 1.00 H new ATOM 0 HB2 GLU A 24 59.569 -1.056 -13.961 1.00 1.00 H new ATOM 0 HB3 GLU A 24 60.656 -2.159 -14.781 1.00 1.00 H new ATOM 0 HG2 GLU A 24 59.169 -4.053 -14.396 1.00 1.00 H new ATOM 0 HG3 GLU A 24 58.178 -3.132 -13.283 1.00 1.00 H new ATOM 410 N LYS A 25 62.216 -4.154 -13.071 1.00 1.00 N ATOM 411 CA LYS A 25 62.706 -5.545 -13.049 1.00 1.00 C ATOM 412 C LYS A 25 62.763 -5.988 -11.573 1.00 1.00 C ATOM 413 O LYS A 25 62.179 -7.006 -11.204 1.00 1.00 O ATOM 414 CB LYS A 25 64.086 -5.705 -13.765 1.00 1.00 C ATOM 415 CG LYS A 25 64.315 -7.197 -14.138 1.00 1.00 C ATOM 416 CD LYS A 25 65.664 -7.413 -14.874 1.00 1.00 C ATOM 417 CE LYS A 25 65.790 -6.487 -16.099 1.00 1.00 C ATOM 418 NZ LYS A 25 66.771 -7.069 -17.060 1.00 1.00 N ATOM 0 H LYS A 25 62.845 -3.475 -13.501 1.00 1.00 H new ATOM 0 HA LYS A 25 62.025 -6.186 -13.610 1.00 1.00 H new ATOM 0 HB2 LYS A 25 64.114 -5.088 -14.663 1.00 1.00 H new ATOM 0 HB3 LYS A 25 64.887 -5.356 -13.113 1.00 1.00 H new ATOM 0 HG2 LYS A 25 64.295 -7.804 -13.233 1.00 1.00 H new ATOM 0 HG3 LYS A 25 63.498 -7.542 -14.771 1.00 1.00 H new ATOM 0 HD2 LYS A 25 66.489 -7.225 -14.187 1.00 1.00 H new ATOM 0 HD3 LYS A 25 65.745 -8.453 -15.192 1.00 1.00 H new ATOM 0 HE2 LYS A 25 64.819 -6.368 -16.580 1.00 1.00 H new ATOM 0 HE3 LYS A 25 66.115 -5.494 -15.787 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 66.858 -6.446 -17.888 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 67.698 -7.161 -16.597 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 66.442 -8.007 -17.366 1.00 1.00 H new ATOM 432 N ASN A 26 63.487 -5.227 -10.749 1.00 1.00 N ATOM 433 CA ASN A 26 63.653 -5.540 -9.327 1.00 1.00 C ATOM 434 C ASN A 26 62.325 -5.840 -8.653 1.00 1.00 C ATOM 435 O ASN A 26 62.236 -6.622 -7.714 1.00 1.00 O ATOM 436 CB ASN A 26 64.258 -4.323 -8.651 1.00 1.00 C ATOM 437 CG ASN A 26 65.590 -4.017 -9.302 1.00 1.00 C ATOM 438 OD1 ASN A 26 65.659 -3.191 -10.205 1.00 1.00 O ATOM 439 ND2 ASN A 26 66.663 -4.640 -8.898 1.00 1.00 N ATOM 0 H ASN A 26 63.973 -4.381 -11.046 1.00 1.00 H new ATOM 0 HA ASN A 26 64.288 -6.422 -9.239 1.00 1.00 H new ATOM 0 HB2 ASN A 26 63.588 -3.468 -8.742 1.00 1.00 H new ATOM 0 HB3 ASN A 26 64.392 -4.510 -7.586 1.00 1.00 H new ATOM 0 HD21 ASN A 26 67.563 -4.440 -9.334 1.00 1.00 H new ATOM 0 HD22 ASN A 26 66.601 -5.327 -8.146 1.00 1.00 H new ATOM 446 N LYS A 27 61.301 -5.207 -9.169 1.00 1.00 N ATOM 447 CA LYS A 27 59.971 -5.409 -8.602 1.00 1.00 C ATOM 448 C LYS A 27 59.650 -6.922 -8.669 1.00 1.00 C ATOM 449 O LYS A 27 59.400 -7.579 -7.659 1.00 1.00 O ATOM 450 CB LYS A 27 58.961 -4.589 -9.426 1.00 1.00 C ATOM 451 CG LYS A 27 57.682 -4.291 -8.613 1.00 1.00 C ATOM 452 CD LYS A 27 56.814 -3.327 -9.424 1.00 1.00 C ATOM 453 CE LYS A 27 55.453 -3.173 -8.747 1.00 1.00 C ATOM 454 NZ LYS A 27 55.650 -2.895 -7.296 1.00 1.00 N ATOM 0 H LYS A 27 61.348 -4.563 -9.958 1.00 1.00 H new ATOM 0 HA LYS A 27 59.920 -5.080 -7.564 1.00 1.00 H new ATOM 0 HB2 LYS A 27 59.421 -3.652 -9.740 1.00 1.00 H new ATOM 0 HB3 LYS A 27 58.699 -5.135 -10.332 1.00 1.00 H new ATOM 0 HG2 LYS A 27 57.138 -5.213 -8.409 1.00 1.00 H new ATOM 0 HG3 LYS A 27 57.938 -3.852 -7.649 1.00 1.00 H new ATOM 0 HD2 LYS A 27 57.305 -2.357 -9.502 1.00 1.00 H new ATOM 0 HD3 LYS A 27 56.686 -3.702 -10.439 1.00 1.00 H new ATOM 0 HE2 LYS A 27 54.893 -2.361 -9.211 1.00 1.00 H new ATOM 0 HE3 LYS A 27 54.865 -4.081 -8.878 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 54.788 -2.463 -6.905 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 55.849 -3.785 -6.796 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 56.451 -2.243 -7.173 1.00 1.00 H new ATOM 468 N TYR A 28 59.620 -7.410 -9.895 1.00 1.00 N ATOM 469 CA TYR A 28 59.286 -8.798 -10.192 1.00 1.00 C ATOM 470 C TYR A 28 60.300 -9.807 -9.619 1.00 1.00 C ATOM 471 O TYR A 28 60.235 -10.990 -9.953 1.00 1.00 O ATOM 472 CB TYR A 28 59.173 -8.966 -11.720 1.00 1.00 C ATOM 473 CG TYR A 28 57.901 -8.299 -12.218 1.00 1.00 C ATOM 474 CD1 TYR A 28 56.682 -8.981 -12.123 1.00 1.00 C ATOM 475 CD2 TYR A 28 57.939 -7.007 -12.763 1.00 1.00 C ATOM 476 CE1 TYR A 28 55.503 -8.375 -12.573 1.00 1.00 C ATOM 477 CE2 TYR A 28 56.758 -6.403 -13.213 1.00 1.00 C ATOM 478 CZ TYR A 28 55.541 -7.088 -13.118 1.00 1.00 C ATOM 479 OH TYR A 28 54.380 -6.493 -13.566 1.00 1.00 O ATOM 0 H TYR A 28 59.828 -6.852 -10.723 1.00 1.00 H new ATOM 0 HA TYR A 28 58.335 -9.018 -9.706 1.00 1.00 H new ATOM 0 HB2 TYR A 28 60.041 -8.525 -12.209 1.00 1.00 H new ATOM 0 HB3 TYR A 28 59.165 -10.025 -11.979 1.00 1.00 H new ATOM 0 HD1 TYR A 28 56.651 -9.975 -11.702 1.00 1.00 H new ATOM 0 HD2 TYR A 28 58.878 -6.478 -12.836 1.00 1.00 H new ATOM 0 HE1 TYR A 28 54.563 -8.902 -12.499 1.00 1.00 H new ATOM 0 HE2 TYR A 28 56.786 -5.409 -13.633 1.00 1.00 H new ATOM 0 HH TYR A 28 54.583 -5.600 -13.914 1.00 1.00 H new ATOM 489 N GLU A 29 61.239 -9.367 -8.767 1.00 1.00 N ATOM 490 CA GLU A 29 62.234 -10.304 -8.201 1.00 1.00 C ATOM 491 C GLU A 29 62.781 -9.843 -6.842 1.00 1.00 C ATOM 492 O GLU A 29 63.627 -10.512 -6.248 1.00 1.00 O ATOM 493 CB GLU A 29 63.376 -10.494 -9.201 1.00 1.00 C ATOM 494 CG GLU A 29 64.110 -9.176 -9.420 1.00 1.00 C ATOM 495 CD GLU A 29 65.186 -9.347 -10.490 1.00 1.00 C ATOM 496 OE1 GLU A 29 65.169 -10.365 -11.161 1.00 1.00 O ATOM 497 OE2 GLU A 29 66.011 -8.457 -10.622 1.00 1.00 O ATOM 0 H GLU A 29 61.334 -8.399 -8.459 1.00 1.00 H new ATOM 0 HA GLU A 29 61.729 -11.254 -8.023 1.00 1.00 H new ATOM 0 HB2 GLU A 29 64.071 -11.248 -8.831 1.00 1.00 H new ATOM 0 HB3 GLU A 29 62.982 -10.861 -10.149 1.00 1.00 H new ATOM 0 HG2 GLU A 29 63.404 -8.403 -9.724 1.00 1.00 H new ATOM 0 HG3 GLU A 29 64.564 -8.844 -8.486 1.00 1.00 H new ATOM 504 N LEU A 30 62.262 -8.724 -6.337 1.00 1.00 N ATOM 505 CA LEU A 30 62.648 -8.176 -5.024 1.00 1.00 C ATOM 506 C LEU A 30 61.352 -8.135 -4.217 1.00 1.00 C ATOM 507 O LEU A 30 60.543 -9.045 -4.386 1.00 1.00 O ATOM 508 CB LEU A 30 63.277 -6.781 -5.231 1.00 1.00 C ATOM 509 CG LEU A 30 64.091 -6.294 -4.014 1.00 1.00 C ATOM 510 CD1 LEU A 30 65.306 -7.219 -3.718 1.00 1.00 C ATOM 511 CD2 LEU A 30 64.599 -4.871 -4.322 1.00 1.00 C ATOM 0 H LEU A 30 61.560 -8.166 -6.823 1.00 1.00 H new ATOM 0 HA LEU A 30 63.395 -8.769 -4.497 1.00 1.00 H new ATOM 0 HB2 LEU A 30 63.926 -6.809 -6.106 1.00 1.00 H new ATOM 0 HB3 LEU A 30 62.486 -6.061 -5.443 1.00 1.00 H new ATOM 0 HG LEU A 30 63.448 -6.308 -3.134 1.00 1.00 H new ATOM 0 HD11 LEU A 30 65.851 -6.839 -2.854 1.00 1.00 H new ATOM 0 HD12 LEU A 30 64.952 -8.229 -3.509 1.00 1.00 H new ATOM 0 HD13 LEU A 30 65.968 -7.239 -4.584 1.00 1.00 H new ATOM 0 HD21 LEU A 30 65.179 -4.501 -3.477 1.00 1.00 H new ATOM 0 HD22 LEU A 30 65.228 -4.894 -5.212 1.00 1.00 H new ATOM 0 HD23 LEU A 30 63.749 -4.211 -4.496 1.00 1.00 H new ATOM 523 N SER A 31 61.064 -7.089 -3.411 1.00 1.00 N ATOM 524 CA SER A 31 59.770 -7.049 -2.718 1.00 1.00 C ATOM 525 C SER A 31 59.584 -5.701 -2.039 1.00 1.00 C ATOM 526 O SER A 31 60.558 -5.026 -1.710 1.00 1.00 O ATOM 527 CB SER A 31 59.658 -8.177 -1.686 1.00 1.00 C ATOM 528 OG SER A 31 60.690 -8.043 -0.716 1.00 1.00 O ATOM 0 H SER A 31 61.682 -6.298 -3.233 1.00 1.00 H new ATOM 0 HA SER A 31 58.984 -7.190 -3.460 1.00 1.00 H new ATOM 0 HB2 SER A 31 58.683 -8.143 -1.201 1.00 1.00 H new ATOM 0 HB3 SER A 31 59.734 -9.145 -2.181 1.00 1.00 H new ATOM 0 HG SER A 31 61.552 -8.273 -1.121 1.00 1.00 H new ATOM 534 N ASP A 32 58.342 -5.296 -1.871 1.00 1.00 N ATOM 535 CA ASP A 32 58.061 -3.990 -1.264 1.00 1.00 C ATOM 536 C ASP A 32 58.980 -3.738 -0.034 1.00 1.00 C ATOM 537 O ASP A 32 59.643 -2.706 0.061 1.00 1.00 O ATOM 538 CB ASP A 32 56.608 -3.985 -0.819 1.00 1.00 C ATOM 539 CG ASP A 32 56.247 -2.632 -0.215 1.00 1.00 C ATOM 540 OD1 ASP A 32 56.478 -1.630 -0.873 1.00 1.00 O ATOM 541 OD2 ASP A 32 55.744 -2.617 0.897 1.00 1.00 O ATOM 0 H ASP A 32 57.517 -5.834 -2.137 1.00 1.00 H new ATOM 0 HA ASP A 32 58.250 -3.202 -1.992 1.00 1.00 H new ATOM 0 HB2 ASP A 32 55.959 -4.197 -1.669 1.00 1.00 H new ATOM 0 HB3 ASP A 32 56.442 -4.775 -0.086 1.00 1.00 H new ATOM 546 N ASP A 33 58.925 -4.653 0.930 1.00 1.00 N ATOM 547 CA ASP A 33 59.649 -4.526 2.209 1.00 1.00 C ATOM 548 C ASP A 33 61.130 -4.121 2.037 1.00 1.00 C ATOM 549 O ASP A 33 61.747 -3.385 2.806 1.00 1.00 O ATOM 550 CB ASP A 33 59.705 -5.957 2.784 1.00 1.00 C ATOM 551 CG ASP A 33 60.382 -5.951 4.152 1.00 1.00 C ATOM 552 OD1 ASP A 33 61.599 -6.040 4.188 1.00 1.00 O ATOM 553 OD2 ASP A 33 59.676 -5.850 5.142 1.00 1.00 O ATOM 0 H ASP A 33 58.377 -5.510 0.854 1.00 1.00 H new ATOM 0 HA ASP A 33 59.144 -3.774 2.815 1.00 1.00 H new ATOM 0 HB2 ASP A 33 58.696 -6.361 2.871 1.00 1.00 H new ATOM 0 HB3 ASP A 33 60.252 -6.609 2.103 1.00 1.00 H new ATOM 558 N GLU A 34 61.602 -4.706 0.944 1.00 1.00 N ATOM 559 CA GLU A 34 62.979 -4.578 0.448 1.00 1.00 C ATOM 560 C GLU A 34 63.171 -3.271 -0.336 1.00 1.00 C ATOM 561 O GLU A 34 64.188 -2.592 -0.194 1.00 1.00 O ATOM 562 CB GLU A 34 63.365 -5.822 -0.394 1.00 1.00 C ATOM 563 CG GLU A 34 63.780 -6.992 0.513 1.00 1.00 C ATOM 564 CD GLU A 34 64.120 -8.209 -0.339 1.00 1.00 C ATOM 565 OE1 GLU A 34 63.257 -8.647 -1.081 1.00 1.00 O ATOM 566 OE2 GLU A 34 65.241 -8.683 -0.239 1.00 1.00 O ATOM 0 H GLU A 34 61.023 -5.304 0.354 1.00 1.00 H new ATOM 0 HA GLU A 34 63.653 -4.532 1.304 1.00 1.00 H new ATOM 0 HB2 GLU A 34 62.521 -6.121 -1.016 1.00 1.00 H new ATOM 0 HB3 GLU A 34 64.184 -5.570 -1.067 1.00 1.00 H new ATOM 0 HG2 GLU A 34 64.641 -6.708 1.118 1.00 1.00 H new ATOM 0 HG3 GLU A 34 62.972 -7.234 1.203 1.00 1.00 H new ATOM 573 N LEU A 35 62.245 -3.004 -1.241 1.00 1.00 N ATOM 574 CA LEU A 35 62.355 -1.866 -2.154 1.00 1.00 C ATOM 575 C LEU A 35 62.868 -0.596 -1.441 1.00 1.00 C ATOM 576 O LEU A 35 63.350 0.317 -2.109 1.00 1.00 O ATOM 577 CB LEU A 35 60.939 -1.598 -2.787 1.00 1.00 C ATOM 578 CG LEU A 35 60.772 -2.167 -4.230 1.00 1.00 C ATOM 579 CD1 LEU A 35 61.703 -1.443 -5.226 1.00 1.00 C ATOM 580 CD2 LEU A 35 60.998 -3.703 -4.278 1.00 1.00 C ATOM 0 H LEU A 35 61.400 -3.561 -1.368 1.00 1.00 H new ATOM 0 HA LEU A 35 63.083 -2.109 -2.928 1.00 1.00 H new ATOM 0 HB2 LEU A 35 60.176 -2.036 -2.144 1.00 1.00 H new ATOM 0 HB3 LEU A 35 60.759 -0.523 -2.808 1.00 1.00 H new ATOM 0 HG LEU A 35 59.741 -1.980 -4.530 1.00 1.00 H new ATOM 0 HD11 LEU A 35 61.564 -1.861 -6.223 1.00 1.00 H new ATOM 0 HD12 LEU A 35 61.463 -0.380 -5.242 1.00 1.00 H new ATOM 0 HD13 LEU A 35 62.740 -1.576 -4.918 1.00 1.00 H new ATOM 0 HD21 LEU A 35 60.872 -4.057 -5.301 1.00 1.00 H new ATOM 0 HD22 LEU A 35 62.007 -3.933 -3.936 1.00 1.00 H new ATOM 0 HD23 LEU A 35 60.274 -4.198 -3.631 1.00 1.00 H new ATOM 592 N GLU A 36 62.744 -0.497 -0.109 1.00 1.00 N ATOM 593 CA GLU A 36 63.199 0.735 0.557 1.00 1.00 C ATOM 594 C GLU A 36 64.670 0.967 0.171 1.00 1.00 C ATOM 595 O GLU A 36 65.142 2.069 -0.084 1.00 1.00 O ATOM 596 CB GLU A 36 63.070 0.618 2.083 1.00 1.00 C ATOM 597 CG GLU A 36 61.594 0.554 2.490 1.00 1.00 C ATOM 598 CD GLU A 36 61.474 0.586 4.011 1.00 1.00 C ATOM 599 OE1 GLU A 36 62.494 0.468 4.670 1.00 1.00 O ATOM 600 OE2 GLU A 36 60.362 0.727 4.493 1.00 1.00 O ATOM 0 H GLU A 36 62.354 -1.214 0.503 1.00 1.00 H new ATOM 0 HA GLU A 36 62.580 1.573 0.238 1.00 1.00 H new ATOM 0 HB2 GLU A 36 63.589 -0.275 2.431 1.00 1.00 H new ATOM 0 HB3 GLU A 36 63.549 1.472 2.562 1.00 1.00 H new ATOM 0 HG2 GLU A 36 61.051 1.393 2.056 1.00 1.00 H new ATOM 0 HG3 GLU A 36 61.139 -0.356 2.099 1.00 1.00 H new ATOM 607 N LEU A 37 65.335 -0.184 0.170 1.00 1.00 N ATOM 608 CA LEU A 37 66.764 -0.274 -0.155 1.00 1.00 C ATOM 609 C LEU A 37 66.959 0.383 -1.522 1.00 1.00 C ATOM 610 O LEU A 37 67.781 1.275 -1.683 1.00 1.00 O ATOM 611 CB LEU A 37 67.219 -1.759 -0.256 1.00 1.00 C ATOM 612 CG LEU A 37 67.385 -2.396 1.152 1.00 1.00 C ATOM 613 CD1 LEU A 37 67.305 -3.925 1.041 1.00 1.00 C ATOM 614 CD2 LEU A 37 68.754 -2.037 1.770 1.00 1.00 C ATOM 0 H LEU A 37 64.905 -1.081 0.393 1.00 1.00 H new ATOM 0 HA LEU A 37 67.349 0.215 0.624 1.00 1.00 H new ATOM 0 HB2 LEU A 37 66.488 -2.327 -0.831 1.00 1.00 H new ATOM 0 HB3 LEU A 37 68.164 -1.816 -0.797 1.00 1.00 H new ATOM 0 HG LEU A 37 66.587 -2.008 1.786 1.00 1.00 H new ATOM 0 HD11 LEU A 37 67.422 -4.368 2.030 1.00 1.00 H new ATOM 0 HD12 LEU A 37 66.337 -4.210 0.628 1.00 1.00 H new ATOM 0 HD13 LEU A 37 68.099 -4.284 0.386 1.00 1.00 H new ATOM 0 HD21 LEU A 37 68.841 -2.497 2.754 1.00 1.00 H new ATOM 0 HD22 LEU A 37 69.552 -2.406 1.126 1.00 1.00 H new ATOM 0 HD23 LEU A 37 68.837 -0.954 1.867 1.00 1.00 H new ATOM 626 N PHE A 38 66.200 -0.091 -2.489 1.00 1.00 N ATOM 627 CA PHE A 38 66.270 0.390 -3.866 1.00 1.00 C ATOM 628 C PHE A 38 65.861 1.875 -3.996 1.00 1.00 C ATOM 629 O PHE A 38 66.458 2.625 -4.752 1.00 1.00 O ATOM 630 CB PHE A 38 65.329 -0.535 -4.733 1.00 1.00 C ATOM 631 CG PHE A 38 66.061 -1.116 -5.927 1.00 1.00 C ATOM 632 CD1 PHE A 38 66.952 -2.173 -5.738 1.00 1.00 C ATOM 633 CD2 PHE A 38 65.861 -0.585 -7.199 1.00 1.00 C ATOM 634 CE1 PHE A 38 67.651 -2.700 -6.821 1.00 1.00 C ATOM 635 CE2 PHE A 38 66.551 -1.111 -8.285 1.00 1.00 C ATOM 636 CZ PHE A 38 67.452 -2.168 -8.100 1.00 1.00 C ATOM 0 H PHE A 38 65.509 -0.828 -2.346 1.00 1.00 H new ATOM 0 HA PHE A 38 67.301 0.338 -4.217 1.00 1.00 H new ATOM 0 HB2 PHE A 38 64.943 -1.344 -4.113 1.00 1.00 H new ATOM 0 HB3 PHE A 38 64.470 0.040 -5.077 1.00 1.00 H new ATOM 0 HD1 PHE A 38 67.100 -2.583 -4.750 1.00 1.00 H new ATOM 0 HD2 PHE A 38 65.171 0.234 -7.341 1.00 1.00 H new ATOM 0 HE1 PHE A 38 68.344 -3.516 -6.675 1.00 1.00 H new ATOM 0 HE2 PHE A 38 66.392 -0.704 -9.273 1.00 1.00 H new ATOM 0 HZ PHE A 38 67.992 -2.572 -8.944 1.00 1.00 H new ATOM 646 N TYR A 39 64.863 2.277 -3.222 1.00 1.00 N ATOM 647 CA TYR A 39 64.419 3.693 -3.257 1.00 1.00 C ATOM 648 C TYR A 39 65.415 4.567 -2.507 1.00 1.00 C ATOM 649 O TYR A 39 65.989 5.496 -3.078 1.00 1.00 O ATOM 650 CB TYR A 39 62.980 3.866 -2.747 1.00 1.00 C ATOM 651 CG TYR A 39 62.009 3.445 -3.841 1.00 1.00 C ATOM 652 CD1 TYR A 39 61.948 4.179 -5.036 1.00 1.00 C ATOM 653 CD2 TYR A 39 61.195 2.316 -3.674 1.00 1.00 C ATOM 654 CE1 TYR A 39 61.072 3.783 -6.057 1.00 1.00 C ATOM 655 CE2 TYR A 39 60.323 1.920 -4.696 1.00 1.00 C ATOM 656 CZ TYR A 39 60.262 2.653 -5.887 1.00 1.00 C ATOM 657 OH TYR A 39 59.402 2.263 -6.894 1.00 1.00 O ATOM 0 H TYR A 39 64.349 1.677 -2.576 1.00 1.00 H new ATOM 0 HA TYR A 39 64.399 4.021 -4.296 1.00 1.00 H new ATOM 0 HB2 TYR A 39 62.823 3.263 -1.853 1.00 1.00 H new ATOM 0 HB3 TYR A 39 62.803 4.904 -2.466 1.00 1.00 H new ATOM 0 HD1 TYR A 39 62.575 5.048 -5.169 1.00 1.00 H new ATOM 0 HD2 TYR A 39 61.240 1.750 -2.755 1.00 1.00 H new ATOM 0 HE1 TYR A 39 61.022 4.350 -6.975 1.00 1.00 H new ATOM 0 HE2 TYR A 39 59.698 1.049 -4.565 1.00 1.00 H new ATOM 0 HH TYR A 39 58.914 1.460 -6.615 1.00 1.00 H new ATOM 667 N SER A 40 65.629 4.276 -1.257 1.00 1.00 N ATOM 668 CA SER A 40 66.568 5.049 -0.468 1.00 1.00 C ATOM 669 C SER A 40 67.952 5.085 -1.129 1.00 1.00 C ATOM 670 O SER A 40 68.643 6.096 -1.100 1.00 1.00 O ATOM 671 CB SER A 40 66.679 4.397 0.903 1.00 1.00 C ATOM 672 OG SER A 40 67.385 5.260 1.785 1.00 1.00 O ATOM 0 H SER A 40 65.173 3.514 -0.756 1.00 1.00 H new ATOM 0 HA SER A 40 66.210 6.075 -0.387 1.00 1.00 H new ATOM 0 HB2 SER A 40 65.685 4.189 1.300 1.00 1.00 H new ATOM 0 HB3 SER A 40 67.196 3.441 0.822 1.00 1.00 H new ATOM 0 HG SER A 40 67.455 4.840 2.668 1.00 1.00 H new ATOM 678 N ALA A 41 68.341 3.949 -1.710 1.00 1.00 N ATOM 679 CA ALA A 41 69.678 3.851 -2.352 1.00 1.00 C ATOM 680 C ALA A 41 69.702 4.536 -3.728 1.00 1.00 C ATOM 681 O ALA A 41 70.560 5.378 -3.988 1.00 1.00 O ATOM 682 CB ALA A 41 70.120 2.396 -2.501 1.00 1.00 C ATOM 0 H ALA A 41 67.778 3.100 -1.756 1.00 1.00 H new ATOM 0 HA ALA A 41 70.376 4.368 -1.694 1.00 1.00 H new ATOM 0 HB1 ALA A 41 71.101 2.360 -2.974 1.00 1.00 H new ATOM 0 HB2 ALA A 41 70.174 1.930 -1.517 1.00 1.00 H new ATOM 0 HB3 ALA A 41 69.400 1.858 -3.118 1.00 1.00 H new ATOM 688 N ALA A 42 68.831 4.094 -4.633 1.00 1.00 N ATOM 689 CA ALA A 42 68.843 4.596 -6.017 1.00 1.00 C ATOM 690 C ALA A 42 68.853 6.124 -6.130 1.00 1.00 C ATOM 691 O ALA A 42 69.455 6.675 -7.049 1.00 1.00 O ATOM 692 CB ALA A 42 67.588 4.106 -6.746 1.00 1.00 C ATOM 0 H ALA A 42 68.112 3.396 -4.442 1.00 1.00 H new ATOM 0 HA ALA A 42 69.766 4.218 -6.456 1.00 1.00 H new ATOM 0 HB1 ALA A 42 67.595 4.477 -7.771 1.00 1.00 H new ATOM 0 HB2 ALA A 42 67.574 3.016 -6.754 1.00 1.00 H new ATOM 0 HB3 ALA A 42 66.701 4.476 -6.232 1.00 1.00 H new ATOM 698 N ASP A 43 68.158 6.807 -5.227 1.00 1.00 N ATOM 699 CA ASP A 43 68.085 8.268 -5.289 1.00 1.00 C ATOM 700 C ASP A 43 69.495 8.856 -5.358 1.00 1.00 C ATOM 701 O ASP A 43 69.784 9.683 -6.202 1.00 1.00 O ATOM 702 CB ASP A 43 67.323 8.800 -4.054 1.00 1.00 C ATOM 703 CG ASP A 43 66.726 10.183 -4.325 1.00 1.00 C ATOM 704 OD1 ASP A 43 67.135 10.806 -5.290 1.00 1.00 O ATOM 705 OD2 ASP A 43 65.871 10.594 -3.558 1.00 1.00 O ATOM 0 H ASP A 43 67.644 6.384 -4.454 1.00 1.00 H new ATOM 0 HA ASP A 43 67.545 8.571 -6.186 1.00 1.00 H new ATOM 0 HB2 ASP A 43 66.528 8.104 -3.786 1.00 1.00 H new ATOM 0 HB3 ASP A 43 68.000 8.854 -3.201 1.00 1.00 H new ATOM 710 N HIS A 44 70.328 8.440 -4.419 1.00 1.00 N ATOM 711 CA HIS A 44 71.699 8.948 -4.304 1.00 1.00 C ATOM 712 C HIS A 44 72.365 9.075 -5.693 1.00 1.00 C ATOM 713 O HIS A 44 73.052 10.055 -5.985 1.00 1.00 O ATOM 714 CB HIS A 44 72.498 7.948 -3.462 1.00 1.00 C ATOM 715 CG HIS A 44 72.045 7.986 -2.024 1.00 1.00 C ATOM 716 ND1 HIS A 44 71.007 7.206 -1.536 1.00 1.00 N ATOM 717 CD2 HIS A 44 72.503 8.698 -0.955 1.00 1.00 C ATOM 718 CE1 HIS A 44 70.885 7.476 -0.218 1.00 1.00 C ATOM 719 NE2 HIS A 44 71.773 8.381 0.181 1.00 1.00 N ATOM 0 H HIS A 44 70.082 7.744 -3.715 1.00 1.00 H new ATOM 0 HA HIS A 44 71.680 9.936 -3.843 1.00 1.00 H new ATOM 0 HB2 HIS A 44 72.370 6.943 -3.863 1.00 1.00 H new ATOM 0 HB3 HIS A 44 73.561 8.182 -3.521 1.00 1.00 H new ATOM 0 HD1 HIS A 44 70.440 6.550 -2.073 1.00 1.00 H new ATOM 0 HD2 HIS A 44 73.317 9.407 -0.988 1.00 1.00 H new ATOM 0 HE1 HIS A 44 70.156 7.014 0.431 1.00 1.00 H new ATOM 728 N ARG A 45 72.142 8.072 -6.516 1.00 1.00 N ATOM 729 CA ARG A 45 72.680 7.983 -7.882 1.00 1.00 C ATOM 730 C ARG A 45 72.016 8.982 -8.873 1.00 1.00 C ATOM 731 O ARG A 45 72.491 9.171 -9.977 1.00 1.00 O ATOM 732 CB ARG A 45 72.494 6.526 -8.368 1.00 1.00 C ATOM 733 CG ARG A 45 72.887 6.338 -9.857 1.00 1.00 C ATOM 734 CD ARG A 45 74.338 6.810 -10.177 1.00 1.00 C ATOM 735 NE ARG A 45 74.740 6.308 -11.485 1.00 1.00 N ATOM 736 CZ ARG A 45 75.942 6.577 -11.985 1.00 1.00 C ATOM 737 NH1 ARG A 45 76.819 7.224 -11.266 1.00 1.00 N ATOM 738 NH2 ARG A 45 76.253 6.180 -13.189 1.00 1.00 N ATOM 0 H ARG A 45 71.568 7.269 -6.259 1.00 1.00 H new ATOM 0 HA ARG A 45 73.734 8.259 -7.856 1.00 1.00 H new ATOM 0 HB2 ARG A 45 73.098 5.861 -7.750 1.00 1.00 H new ATOM 0 HB3 ARG A 45 71.454 6.231 -8.231 1.00 1.00 H new ATOM 0 HG2 ARG A 45 72.788 5.285 -10.121 1.00 1.00 H new ATOM 0 HG3 ARG A 45 72.186 6.891 -10.483 1.00 1.00 H new ATOM 0 HD2 ARG A 45 74.388 7.899 -10.163 1.00 1.00 H new ATOM 0 HD3 ARG A 45 75.025 6.450 -9.411 1.00 1.00 H new ATOM 0 HE ARG A 45 74.088 5.740 -12.026 1.00 1.00 H new ATOM 0 HH11 ARG A 45 76.582 7.523 -10.320 1.00 1.00 H new ATOM 0 HH12 ARG A 45 77.741 7.430 -11.650 1.00 1.00 H new ATOM 0 HH21 ARG A 45 75.573 5.663 -13.747 1.00 1.00 H new ATOM 0 HH22 ARG A 45 77.176 6.387 -13.572 1.00 1.00 H new ATOM 752 N LEU A 46 70.920 9.627 -8.494 1.00 1.00 N ATOM 753 CA LEU A 46 70.249 10.584 -9.414 1.00 1.00 C ATOM 754 C LEU A 46 70.939 11.980 -9.524 1.00 1.00 C ATOM 755 O LEU A 46 71.125 12.489 -10.628 1.00 1.00 O ATOM 756 CB LEU A 46 68.772 10.724 -9.003 1.00 1.00 C ATOM 757 CG LEU A 46 67.944 11.528 -10.087 1.00 1.00 C ATOM 758 CD1 LEU A 46 66.540 10.922 -10.273 1.00 1.00 C ATOM 759 CD2 LEU A 46 67.778 13.001 -9.671 1.00 1.00 C ATOM 0 H LEU A 46 70.473 9.521 -7.583 1.00 1.00 H new ATOM 0 HA LEU A 46 70.331 10.164 -10.416 1.00 1.00 H new ATOM 0 HB2 LEU A 46 68.335 9.735 -8.869 1.00 1.00 H new ATOM 0 HB3 LEU A 46 68.707 11.234 -8.042 1.00 1.00 H new ATOM 0 HG LEU A 46 68.500 11.466 -11.022 1.00 1.00 H new ATOM 0 HD11 LEU A 46 65.993 11.494 -11.023 1.00 1.00 H new ATOM 0 HD12 LEU A 46 66.631 9.887 -10.601 1.00 1.00 H new ATOM 0 HD13 LEU A 46 66.001 10.956 -9.326 1.00 1.00 H new ATOM 0 HD21 LEU A 46 67.206 13.532 -10.432 1.00 1.00 H new ATOM 0 HD22 LEU A 46 67.251 13.053 -8.719 1.00 1.00 H new ATOM 0 HD23 LEU A 46 68.760 13.463 -9.568 1.00 1.00 H new ATOM 771 N ALA A 47 71.271 12.615 -8.393 1.00 1.00 N ATOM 772 CA ALA A 47 71.888 13.971 -8.408 1.00 1.00 C ATOM 773 C ALA A 47 73.208 14.005 -9.207 1.00 1.00 C ATOM 774 O ALA A 47 73.503 14.952 -9.933 1.00 1.00 O ATOM 775 CB ALA A 47 72.144 14.436 -6.975 1.00 1.00 C ATOM 0 H ALA A 47 71.130 12.227 -7.460 1.00 1.00 H new ATOM 0 HA ALA A 47 71.187 14.643 -8.903 1.00 1.00 H new ATOM 0 HB1 ALA A 47 72.595 15.428 -6.990 1.00 1.00 H new ATOM 0 HB2 ALA A 47 71.200 14.475 -6.431 1.00 1.00 H new ATOM 0 HB3 ALA A 47 72.819 13.737 -6.481 1.00 1.00 H new ATOM 781 N GLU A 48 73.942 12.926 -9.085 1.00 1.00 N ATOM 782 CA GLU A 48 75.193 12.805 -9.847 1.00 1.00 C ATOM 783 C GLU A 48 74.808 12.848 -11.336 1.00 1.00 C ATOM 784 O GLU A 48 75.327 13.664 -12.100 1.00 1.00 O ATOM 785 CB GLU A 48 76.045 11.568 -9.436 1.00 1.00 C ATOM 786 CG GLU A 48 75.639 10.297 -10.167 1.00 1.00 C ATOM 787 CD GLU A 48 76.156 10.279 -11.608 1.00 1.00 C ATOM 788 OE1 GLU A 48 76.760 11.249 -12.025 1.00 1.00 O ATOM 789 OE2 GLU A 48 75.951 9.278 -12.270 1.00 1.00 O ATOM 0 H GLU A 48 73.717 12.131 -8.487 1.00 1.00 H new ATOM 0 HA GLU A 48 75.864 13.634 -9.622 1.00 1.00 H new ATOM 0 HB2 GLU A 48 77.096 11.775 -9.636 1.00 1.00 H new ATOM 0 HB3 GLU A 48 75.950 11.409 -8.362 1.00 1.00 H new ATOM 0 HG2 GLU A 48 76.026 9.430 -9.631 1.00 1.00 H new ATOM 0 HG3 GLU A 48 74.552 10.211 -10.170 1.00 1.00 H new ATOM 796 N LEU A 49 73.894 11.970 -11.728 1.00 1.00 N ATOM 797 CA LEU A 49 73.418 11.890 -13.108 1.00 1.00 C ATOM 798 C LEU A 49 72.860 13.228 -13.586 1.00 1.00 C ATOM 799 O LEU A 49 73.017 13.588 -14.752 1.00 1.00 O ATOM 800 CB LEU A 49 72.307 10.819 -13.185 1.00 1.00 C ATOM 801 CG LEU A 49 72.914 9.392 -13.066 1.00 1.00 C ATOM 802 CD1 LEU A 49 71.787 8.379 -12.825 1.00 1.00 C ATOM 803 CD2 LEU A 49 73.701 8.998 -14.359 1.00 1.00 C ATOM 0 H LEU A 49 73.460 11.293 -11.101 1.00 1.00 H new ATOM 0 HA LEU A 49 74.258 11.627 -13.751 1.00 1.00 H new ATOM 0 HB2 LEU A 49 71.583 10.980 -12.386 1.00 1.00 H new ATOM 0 HB3 LEU A 49 71.768 10.913 -14.128 1.00 1.00 H new ATOM 0 HG LEU A 49 73.612 9.386 -12.229 1.00 1.00 H new ATOM 0 HD11 LEU A 49 72.210 7.378 -12.741 1.00 1.00 H new ATOM 0 HD12 LEU A 49 71.263 8.630 -11.903 1.00 1.00 H new ATOM 0 HD13 LEU A 49 71.087 8.409 -13.660 1.00 1.00 H new ATOM 0 HD21 LEU A 49 74.112 7.995 -14.243 1.00 1.00 H new ATOM 0 HD22 LEU A 49 73.027 9.017 -15.215 1.00 1.00 H new ATOM 0 HD23 LEU A 49 74.513 9.707 -14.521 1.00 1.00 H new ATOM 815 N THR A 50 72.190 13.953 -12.693 1.00 1.00 N ATOM 816 CA THR A 50 71.600 15.241 -13.065 1.00 1.00 C ATOM 817 C THR A 50 72.687 16.124 -13.676 1.00 1.00 C ATOM 818 O THR A 50 72.436 16.834 -14.649 1.00 1.00 O ATOM 819 CB THR A 50 70.926 15.872 -11.825 1.00 1.00 C ATOM 820 OG1 THR A 50 69.907 14.989 -11.377 1.00 1.00 O ATOM 821 CG2 THR A 50 70.287 17.258 -12.116 1.00 1.00 C ATOM 0 H THR A 50 72.042 13.679 -11.722 1.00 1.00 H new ATOM 0 HA THR A 50 70.822 15.119 -13.818 1.00 1.00 H new ATOM 0 HB THR A 50 71.699 16.026 -11.072 1.00 1.00 H new ATOM 0 HG1 THR A 50 70.315 14.175 -11.016 1.00 1.00 H new ATOM 0 HG21 THR A 50 69.831 17.647 -11.206 1.00 1.00 H new ATOM 0 HG22 THR A 50 71.057 17.949 -12.460 1.00 1.00 H new ATOM 0 HG23 THR A 50 69.524 17.152 -12.887 1.00 1.00 H new ATOM 829 N MET A 51 73.916 16.014 -13.161 1.00 1.00 N ATOM 830 CA MET A 51 75.071 16.742 -13.727 1.00 1.00 C ATOM 831 C MET A 51 75.824 15.700 -14.571 1.00 1.00 C ATOM 832 O MET A 51 75.372 15.391 -15.669 1.00 1.00 O ATOM 833 CB MET A 51 75.964 17.399 -12.608 1.00 1.00 C ATOM 834 CG MET A 51 75.504 16.987 -11.204 1.00 1.00 C ATOM 835 SD MET A 51 76.355 18.026 -9.983 1.00 1.00 S ATOM 836 CE MET A 51 78.063 17.518 -10.339 1.00 1.00 C ATOM 0 H MET A 51 74.143 15.431 -12.355 1.00 1.00 H new ATOM 0 HA MET A 51 74.762 17.589 -14.339 1.00 1.00 H new ATOM 0 HB2 MET A 51 77.004 17.105 -12.752 1.00 1.00 H new ATOM 0 HB3 MET A 51 75.924 18.484 -12.701 1.00 1.00 H new ATOM 0 HG2 MET A 51 74.424 17.103 -11.111 1.00 1.00 H new ATOM 0 HG3 MET A 51 75.728 15.935 -11.027 1.00 1.00 H new ATOM 0 HE1 MET A 51 78.696 17.742 -9.480 1.00 1.00 H new ATOM 0 HE2 MET A 51 78.090 16.447 -10.540 1.00 1.00 H new ATOM 0 HE3 MET A 51 78.429 18.060 -11.211 1.00 1.00 H new ATOM 846 N ASN A 52 76.900 15.105 -14.036 1.00 1.00 N ATOM 847 CA ASN A 52 77.616 14.036 -14.751 1.00 1.00 C ATOM 848 C ASN A 52 78.882 13.605 -13.988 1.00 1.00 C ATOM 849 O ASN A 52 79.873 13.212 -14.606 1.00 1.00 O ATOM 850 CB ASN A 52 77.989 14.449 -16.199 1.00 1.00 C ATOM 851 CG ASN A 52 78.556 15.865 -16.218 1.00 1.00 C ATOM 852 OD1 ASN A 52 78.069 16.745 -15.509 1.00 1.00 O ATOM 853 ND2 ASN A 52 79.571 16.138 -16.993 1.00 1.00 N ATOM 0 H ASN A 52 77.290 15.341 -13.124 1.00 1.00 H new ATOM 0 HA ASN A 52 76.932 13.190 -14.808 1.00 1.00 H new ATOM 0 HB2 ASN A 52 78.721 13.752 -16.606 1.00 1.00 H new ATOM 0 HB3 ASN A 52 77.108 14.395 -16.838 1.00 1.00 H new ATOM 0 HD21 ASN A 52 79.960 17.081 -17.011 1.00 1.00 H new ATOM 0 HD22 ASN A 52 79.975 15.409 -17.581 1.00 1.00 H new ATOM 860 N LYS A 53 78.859 13.674 -12.641 1.00 1.00 N ATOM 861 CA LYS A 53 80.027 13.280 -11.816 1.00 1.00 C ATOM 862 C LYS A 53 79.653 12.142 -10.868 1.00 1.00 C ATOM 863 O LYS A 53 79.001 11.186 -11.270 1.00 1.00 O ATOM 864 CB LYS A 53 80.558 14.478 -11.019 1.00 1.00 C ATOM 865 CG LYS A 53 80.856 15.652 -11.965 1.00 1.00 C ATOM 866 CD LYS A 53 81.636 16.749 -11.211 1.00 1.00 C ATOM 867 CE LYS A 53 82.038 17.855 -12.187 1.00 1.00 C ATOM 868 NZ LYS A 53 82.818 18.898 -11.461 1.00 1.00 N ATOM 0 H LYS A 53 78.054 13.995 -12.103 1.00 1.00 H new ATOM 0 HA LYS A 53 80.814 12.934 -12.486 1.00 1.00 H new ATOM 0 HB2 LYS A 53 79.825 14.781 -10.271 1.00 1.00 H new ATOM 0 HB3 LYS A 53 81.463 14.195 -10.482 1.00 1.00 H new ATOM 0 HG2 LYS A 53 81.436 15.304 -12.820 1.00 1.00 H new ATOM 0 HG3 LYS A 53 79.924 16.060 -12.357 1.00 1.00 H new ATOM 0 HD2 LYS A 53 81.021 17.162 -10.411 1.00 1.00 H new ATOM 0 HD3 LYS A 53 82.523 16.322 -10.743 1.00 1.00 H new ATOM 0 HE2 LYS A 53 82.634 17.439 -12.999 1.00 1.00 H new ATOM 0 HE3 LYS A 53 81.150 18.298 -12.638 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 83.092 19.651 -12.124 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 82.234 19.302 -10.701 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 83.673 18.470 -11.051 1.00 1.00 H new ATOM 882 N LEU A 54 80.145 12.201 -9.629 1.00 1.00 N ATOM 883 CA LEU A 54 79.927 11.124 -8.648 1.00 1.00 C ATOM 884 C LEU A 54 79.547 11.677 -7.274 1.00 1.00 C ATOM 885 O LEU A 54 80.429 12.121 -6.540 1.00 1.00 O ATOM 886 CB LEU A 54 81.273 10.382 -8.529 1.00 1.00 C ATOM 887 CG LEU A 54 81.276 9.368 -7.361 1.00 1.00 C ATOM 888 CD1 LEU A 54 80.014 8.492 -7.404 1.00 1.00 C ATOM 889 CD2 LEU A 54 82.524 8.479 -7.475 1.00 1.00 C ATOM 0 H LEU A 54 80.698 12.982 -9.276 1.00 1.00 H new ATOM 0 HA LEU A 54 79.112 10.479 -8.975 1.00 1.00 H new ATOM 0 HB2 LEU A 54 81.483 9.860 -9.463 1.00 1.00 H new ATOM 0 HB3 LEU A 54 82.074 11.106 -8.382 1.00 1.00 H new ATOM 0 HG LEU A 54 81.288 9.911 -6.416 1.00 1.00 H new ATOM 0 HD11 LEU A 54 80.034 7.785 -6.575 1.00 1.00 H new ATOM 0 HD12 LEU A 54 79.130 9.124 -7.321 1.00 1.00 H new ATOM 0 HD13 LEU A 54 79.983 7.945 -8.346 1.00 1.00 H new ATOM 0 HD21 LEU A 54 82.535 7.760 -6.655 1.00 1.00 H new ATOM 0 HD22 LEU A 54 82.505 7.945 -8.425 1.00 1.00 H new ATOM 0 HD23 LEU A 54 83.419 9.100 -7.425 1.00 1.00 H new ATOM 901 N TYR A 55 78.262 11.646 -6.880 1.00 1.00 N ATOM 902 CA TYR A 55 77.903 12.152 -5.536 1.00 1.00 C ATOM 903 C TYR A 55 78.312 11.055 -4.537 1.00 1.00 C ATOM 904 O TYR A 55 79.284 10.375 -4.829 1.00 1.00 O ATOM 905 CB TYR A 55 76.402 12.512 -5.468 1.00 1.00 C ATOM 906 CG TYR A 55 76.144 13.924 -5.979 1.00 1.00 C ATOM 907 CD1 TYR A 55 76.946 14.499 -6.980 1.00 1.00 C ATOM 908 CD2 TYR A 55 75.097 14.674 -5.417 1.00 1.00 C ATOM 909 CE1 TYR A 55 76.695 15.804 -7.407 1.00 1.00 C ATOM 910 CE2 TYR A 55 74.857 15.981 -5.844 1.00 1.00 C ATOM 911 CZ TYR A 55 75.656 16.546 -6.838 1.00 1.00 C ATOM 912 OH TYR A 55 75.420 17.837 -7.261 1.00 1.00 O ATOM 0 H TYR A 55 77.485 11.295 -7.439 1.00 1.00 H new ATOM 0 HA TYR A 55 78.425 13.078 -5.294 1.00 1.00 H new ATOM 0 HB2 TYR A 55 75.828 11.799 -6.060 1.00 1.00 H new ATOM 0 HB3 TYR A 55 76.052 12.426 -4.439 1.00 1.00 H new ATOM 0 HD1 TYR A 55 77.755 13.932 -7.418 1.00 1.00 H new ATOM 0 HD2 TYR A 55 74.475 14.237 -4.650 1.00 1.00 H new ATOM 0 HE1 TYR A 55 77.307 16.243 -8.181 1.00 1.00 H new ATOM 0 HE2 TYR A 55 74.054 16.554 -5.405 1.00 1.00 H new ATOM 0 HH TYR A 55 75.372 17.857 -8.240 1.00 1.00 H new ATOM 922 N ASP A 56 77.574 10.862 -3.414 1.00 1.00 N ATOM 923 CA ASP A 56 77.867 9.807 -2.418 1.00 1.00 C ATOM 924 C ASP A 56 77.439 10.248 -1.002 1.00 1.00 C ATOM 925 O ASP A 56 78.278 10.421 -0.124 1.00 1.00 O ATOM 926 CB ASP A 56 79.363 9.344 -2.420 1.00 1.00 C ATOM 927 CG ASP A 56 79.707 8.504 -1.184 1.00 1.00 C ATOM 928 OD1 ASP A 56 78.830 7.799 -0.711 1.00 1.00 O ATOM 929 OD2 ASP A 56 80.837 8.582 -0.733 1.00 1.00 O ATOM 0 H ASP A 56 76.763 11.433 -3.177 1.00 1.00 H new ATOM 0 HA ASP A 56 77.276 8.942 -2.717 1.00 1.00 H new ATOM 0 HB2 ASP A 56 79.561 8.762 -3.320 1.00 1.00 H new ATOM 0 HB3 ASP A 56 80.013 10.218 -2.456 1.00 1.00 H new ATOM 934 N LYS A 57 76.123 10.387 -0.800 1.00 1.00 N ATOM 935 CA LYS A 57 75.447 10.730 0.461 1.00 1.00 C ATOM 936 C LYS A 57 74.634 11.988 0.115 1.00 1.00 C ATOM 937 O LYS A 57 75.294 12.991 -0.163 1.00 1.00 O ATOM 938 CB LYS A 57 76.358 10.984 1.674 1.00 1.00 C ATOM 939 CG LYS A 57 75.460 11.072 2.906 1.00 1.00 C ATOM 940 CD LYS A 57 76.295 11.408 4.150 1.00 1.00 C ATOM 941 CE LYS A 57 75.438 11.200 5.403 1.00 1.00 C ATOM 942 NZ LYS A 57 76.131 11.746 6.607 1.00 1.00 N ATOM 0 H LYS A 57 75.457 10.255 -1.561 1.00 1.00 H new ATOM 0 HA LYS A 57 74.854 9.878 0.794 1.00 1.00 H new ATOM 0 HB2 LYS A 57 77.084 10.179 1.785 1.00 1.00 H new ATOM 0 HB3 LYS A 57 76.923 11.907 1.544 1.00 1.00 H new ATOM 0 HG2 LYS A 57 74.697 11.835 2.755 1.00 1.00 H new ATOM 0 HG3 LYS A 57 74.939 10.126 3.054 1.00 1.00 H new ATOM 0 HD2 LYS A 57 77.180 10.773 4.191 1.00 1.00 H new ATOM 0 HD3 LYS A 57 76.644 12.439 4.101 1.00 1.00 H new ATOM 0 HE2 LYS A 57 74.474 11.692 5.277 1.00 1.00 H new ATOM 0 HE3 LYS A 57 75.238 10.138 5.542 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 75.537 11.597 7.447 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 77.040 11.258 6.735 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 76.300 12.764 6.479 1.00 1.00 H new ATOM 956 N ILE A 58 73.275 12.020 0.063 1.00 1.00 N ATOM 957 CA ILE A 58 72.555 13.286 -0.343 1.00 1.00 C ATOM 958 C ILE A 58 71.708 13.910 0.806 1.00 1.00 C ATOM 959 O ILE A 58 70.720 13.308 1.223 1.00 1.00 O ATOM 960 CB ILE A 58 71.628 12.997 -1.595 1.00 1.00 C ATOM 961 CG1 ILE A 58 72.465 13.086 -2.904 1.00 1.00 C ATOM 962 CG2 ILE A 58 70.452 14.034 -1.707 1.00 1.00 C ATOM 963 CD1 ILE A 58 73.701 12.185 -2.850 1.00 1.00 C ATOM 0 H ILE A 58 72.668 11.230 0.283 1.00 1.00 H new ATOM 0 HA ILE A 58 73.324 14.016 -0.597 1.00 1.00 H new ATOM 0 HB ILE A 58 71.212 11.999 -1.459 1.00 1.00 H new ATOM 0 HG12 ILE A 58 71.844 12.800 -3.753 1.00 1.00 H new ATOM 0 HG13 ILE A 58 72.774 14.118 -3.068 1.00 1.00 H new ATOM 0 HG21 ILE A 58 69.841 13.799 -2.579 1.00 1.00 H new ATOM 0 HG22 ILE A 58 69.836 13.984 -0.809 1.00 1.00 H new ATOM 0 HG23 ILE A 58 70.862 15.039 -1.811 1.00 1.00 H new ATOM 0 HD11 ILE A 58 74.258 12.276 -3.782 1.00 1.00 H new ATOM 0 HD12 ILE A 58 74.336 12.487 -2.017 1.00 1.00 H new ATOM 0 HD13 ILE A 58 73.391 11.149 -2.712 1.00 1.00 H new ATOM 975 N PRO A 59 71.967 15.148 1.227 1.00 1.00 N ATOM 976 CA PRO A 59 71.076 15.840 2.212 1.00 1.00 C ATOM 977 C PRO A 59 69.618 15.819 1.701 1.00 1.00 C ATOM 978 O PRO A 59 69.389 15.670 0.502 1.00 1.00 O ATOM 979 CB PRO A 59 71.628 17.292 2.240 1.00 1.00 C ATOM 980 CG PRO A 59 73.070 17.123 1.935 1.00 1.00 C ATOM 981 CD PRO A 59 73.119 16.020 0.871 1.00 1.00 C ATOM 0 HA PRO A 59 71.069 15.374 3.197 1.00 1.00 H new ATOM 0 HB2 PRO A 59 71.133 17.923 1.502 1.00 1.00 H new ATOM 0 HB3 PRO A 59 71.476 17.760 3.213 1.00 1.00 H new ATOM 0 HG2 PRO A 59 73.507 18.050 1.564 1.00 1.00 H new ATOM 0 HG3 PRO A 59 73.632 16.839 2.825 1.00 1.00 H new ATOM 0 HD2 PRO A 59 73.019 16.427 -0.135 1.00 1.00 H new ATOM 0 HD3 PRO A 59 74.062 15.473 0.902 1.00 1.00 H new ATOM 989 N PRO A 60 68.649 15.959 2.563 1.00 1.00 N ATOM 990 CA PRO A 60 67.197 15.956 2.166 1.00 1.00 C ATOM 991 C PRO A 60 66.830 17.193 1.318 1.00 1.00 C ATOM 992 O PRO A 60 65.754 17.264 0.725 1.00 1.00 O ATOM 993 CB PRO A 60 66.470 15.966 3.533 1.00 1.00 C ATOM 994 CG PRO A 60 67.433 16.658 4.445 1.00 1.00 C ATOM 995 CD PRO A 60 68.809 16.154 4.015 1.00 1.00 C ATOM 0 HA PRO A 60 66.927 15.106 1.539 1.00 1.00 H new ATOM 0 HB2 PRO A 60 65.520 16.497 3.477 1.00 1.00 H new ATOM 0 HB3 PRO A 60 66.250 14.955 3.876 1.00 1.00 H new ATOM 0 HG2 PRO A 60 67.361 17.741 4.348 1.00 1.00 H new ATOM 0 HG3 PRO A 60 67.232 16.417 5.489 1.00 1.00 H new ATOM 0 HD2 PRO A 60 69.593 16.877 4.242 1.00 1.00 H new ATOM 0 HD3 PRO A 60 69.075 15.226 4.520 1.00 1.00 H new ATOM 1003 N THR A 61 67.730 18.166 1.317 1.00 1.00 N ATOM 1004 CA THR A 61 67.542 19.438 0.609 1.00 1.00 C ATOM 1005 C THR A 61 67.482 19.319 -0.924 1.00 1.00 C ATOM 1006 O THR A 61 66.760 20.068 -1.583 1.00 1.00 O ATOM 1007 CB THR A 61 68.725 20.342 0.965 1.00 1.00 C ATOM 1008 OG1 THR A 61 68.777 20.508 2.376 1.00 1.00 O ATOM 1009 CG2 THR A 61 68.564 21.716 0.298 1.00 1.00 C ATOM 0 H THR A 61 68.621 18.101 1.810 1.00 1.00 H new ATOM 0 HA THR A 61 66.577 19.834 0.924 1.00 1.00 H new ATOM 0 HB THR A 61 69.646 19.881 0.608 1.00 1.00 H new ATOM 0 HG1 THR A 61 69.534 21.085 2.610 1.00 1.00 H new ATOM 0 HG21 THR A 61 69.412 22.349 0.559 1.00 1.00 H new ATOM 0 HG22 THR A 61 68.523 21.593 -0.784 1.00 1.00 H new ATOM 0 HG23 THR A 61 67.642 22.183 0.645 1.00 1.00 H new ATOM 1017 N VAL A 62 68.306 18.443 -1.473 1.00 1.00 N ATOM 1018 CA VAL A 62 68.441 18.282 -2.928 1.00 1.00 C ATOM 1019 C VAL A 62 67.196 17.778 -3.688 1.00 1.00 C ATOM 1020 O VAL A 62 66.839 18.339 -4.725 1.00 1.00 O ATOM 1021 CB VAL A 62 69.573 17.283 -3.157 1.00 1.00 C ATOM 1022 CG1 VAL A 62 69.841 17.114 -4.664 1.00 1.00 C ATOM 1023 CG2 VAL A 62 70.846 17.802 -2.475 1.00 1.00 C ATOM 0 H VAL A 62 68.904 17.819 -0.931 1.00 1.00 H new ATOM 0 HA VAL A 62 68.621 19.281 -3.326 1.00 1.00 H new ATOM 0 HB VAL A 62 69.286 16.319 -2.737 1.00 1.00 H new ATOM 0 HG11 VAL A 62 70.650 16.399 -4.812 1.00 1.00 H new ATOM 0 HG12 VAL A 62 68.939 16.748 -5.155 1.00 1.00 H new ATOM 0 HG13 VAL A 62 70.123 18.075 -5.093 1.00 1.00 H new ATOM 0 HG21 VAL A 62 71.659 17.093 -2.634 1.00 1.00 H new ATOM 0 HG22 VAL A 62 71.118 18.768 -2.900 1.00 1.00 H new ATOM 0 HG23 VAL A 62 70.666 17.913 -1.406 1.00 1.00 H new ATOM 1033 N TRP A 63 66.597 16.676 -3.243 1.00 1.00 N ATOM 1034 CA TRP A 63 65.467 16.088 -3.994 1.00 1.00 C ATOM 1035 C TRP A 63 64.322 17.053 -4.254 1.00 1.00 C ATOM 1036 O TRP A 63 63.526 16.801 -5.160 1.00 1.00 O ATOM 1037 CB TRP A 63 64.972 14.743 -3.433 1.00 1.00 C ATOM 1038 CG TRP A 63 66.143 13.831 -3.189 1.00 1.00 C ATOM 1039 CD1 TRP A 63 66.409 13.233 -2.004 1.00 1.00 C ATOM 1040 CD2 TRP A 63 67.214 13.403 -4.108 1.00 1.00 C ATOM 1041 NE1 TRP A 63 67.571 12.495 -2.120 1.00 1.00 N ATOM 1042 CE2 TRP A 63 68.102 12.569 -3.388 1.00 1.00 C ATOM 1043 CE3 TRP A 63 67.523 13.656 -5.473 1.00 1.00 C ATOM 1044 CZ2 TRP A 63 69.237 12.015 -3.982 1.00 1.00 C ATOM 1045 CZ3 TRP A 63 68.664 13.108 -6.059 1.00 1.00 C ATOM 1046 CH2 TRP A 63 69.523 12.293 -5.320 1.00 1.00 C ATOM 0 H TRP A 63 66.858 16.177 -2.393 1.00 1.00 H new ATOM 0 HA TRP A 63 65.900 15.867 -4.970 1.00 1.00 H new ATOM 0 HB2 TRP A 63 64.426 14.905 -2.504 1.00 1.00 H new ATOM 0 HB3 TRP A 63 64.278 14.279 -4.134 1.00 1.00 H new ATOM 0 HD1 TRP A 63 65.809 13.319 -1.110 1.00 1.00 H new ATOM 0 HE1 TRP A 63 67.986 11.959 -1.357 1.00 1.00 H new ATOM 0 HE3 TRP A 63 66.867 14.279 -6.062 1.00 1.00 H new ATOM 0 HZ2 TRP A 63 69.891 11.374 -3.409 1.00 1.00 H new ATOM 0 HZ3 TRP A 63 68.885 13.316 -7.095 1.00 1.00 H new ATOM 0 HH2 TRP A 63 70.407 11.878 -5.782 1.00 1.00 H new ATOM 1057 N GLN A 64 64.306 18.221 -3.565 1.00 1.00 N ATOM 1058 CA GLN A 64 63.287 19.282 -3.891 1.00 1.00 C ATOM 1059 C GLN A 64 63.825 20.188 -5.013 1.00 1.00 C ATOM 1060 O GLN A 64 63.045 20.761 -5.776 1.00 1.00 O ATOM 1061 CB GLN A 64 62.786 20.068 -2.677 1.00 1.00 C ATOM 1062 CG GLN A 64 62.265 19.100 -1.615 1.00 1.00 C ATOM 1063 CD GLN A 64 61.951 19.861 -0.333 1.00 1.00 C ATOM 1064 OE1 GLN A 64 61.948 21.092 -0.324 1.00 1.00 O ATOM 1065 NE2 GLN A 64 61.684 19.196 0.755 1.00 1.00 N ATOM 0 H GLN A 64 64.951 18.458 -2.811 1.00 1.00 H new ATOM 0 HA GLN A 64 62.393 18.773 -4.250 1.00 1.00 H new ATOM 0 HB2 GLN A 64 63.593 20.674 -2.266 1.00 1.00 H new ATOM 0 HB3 GLN A 64 61.994 20.754 -2.977 1.00 1.00 H new ATOM 0 HG2 GLN A 64 61.370 18.595 -1.978 1.00 1.00 H new ATOM 0 HG3 GLN A 64 63.008 18.328 -1.418 1.00 1.00 H new ATOM 0 HE21 GLN A 64 61.688 18.176 0.743 1.00 1.00 H new ATOM 0 HE22 GLN A 64 61.471 19.695 1.619 1.00 1.00 H new ATOM 1074 N HIS A 65 65.163 20.328 -5.110 1.00 1.00 N ATOM 1075 CA HIS A 65 65.799 21.179 -6.139 1.00 1.00 C ATOM 1076 C HIS A 65 66.432 20.362 -7.256 1.00 1.00 C ATOM 1077 O HIS A 65 66.037 20.489 -8.415 1.00 1.00 O ATOM 1078 CB HIS A 65 66.880 22.038 -5.475 1.00 1.00 C ATOM 1079 CG HIS A 65 66.237 22.938 -4.457 1.00 1.00 C ATOM 1080 ND1 HIS A 65 66.477 22.805 -3.098 1.00 1.00 N ATOM 1081 CD2 HIS A 65 65.346 23.976 -4.580 1.00 1.00 C ATOM 1082 CE1 HIS A 65 65.745 23.738 -2.463 1.00 1.00 C ATOM 1083 NE2 HIS A 65 65.037 24.480 -3.319 1.00 1.00 N ATOM 0 H HIS A 65 65.825 19.863 -4.489 1.00 1.00 H new ATOM 0 HA HIS A 65 65.021 21.800 -6.584 1.00 1.00 H new ATOM 0 HB2 HIS A 65 67.625 21.402 -4.997 1.00 1.00 H new ATOM 0 HB3 HIS A 65 67.402 22.632 -6.225 1.00 1.00 H new ATOM 0 HD1 HIS A 65 67.096 22.123 -2.659 1.00 1.00 H new ATOM 0 HD2 HIS A 65 64.946 24.345 -5.513 1.00 1.00 H new ATOM 0 HE1 HIS A 65 65.731 23.871 -1.391 1.00 1.00 H new ATOM 1092 N VAL A 66 67.416 19.530 -6.921 1.00 1.00 N ATOM 1093 CA VAL A 66 68.080 18.719 -7.925 1.00 1.00 C ATOM 1094 C VAL A 66 68.700 19.619 -8.995 1.00 1.00 C ATOM 1095 O VAL A 66 68.516 19.413 -10.194 1.00 1.00 O ATOM 1096 CB VAL A 66 67.066 17.733 -8.530 1.00 1.00 C ATOM 1097 CG1 VAL A 66 67.788 16.630 -9.301 1.00 1.00 C ATOM 1098 CG2 VAL A 66 66.322 17.051 -7.395 1.00 1.00 C ATOM 0 H VAL A 66 67.765 19.404 -5.971 1.00 1.00 H new ATOM 0 HA VAL A 66 68.887 18.145 -7.470 1.00 1.00 H new ATOM 0 HB VAL A 66 66.398 18.285 -9.191 1.00 1.00 H new ATOM 0 HG11 VAL A 66 67.056 15.941 -9.722 1.00 1.00 H new ATOM 0 HG12 VAL A 66 68.375 17.073 -10.106 1.00 1.00 H new ATOM 0 HG13 VAL A 66 68.450 16.087 -8.626 1.00 1.00 H new ATOM 0 HG21 VAL A 66 65.598 16.347 -7.806 1.00 1.00 H new ATOM 0 HG22 VAL A 66 67.032 16.515 -6.765 1.00 1.00 H new ATOM 0 HG23 VAL A 66 65.802 17.801 -6.799 1.00 1.00 H new ATOM 1108 N LYS A 67 69.432 20.636 -8.534 1.00 1.00 N ATOM 1109 CA LYS A 67 70.085 21.594 -9.429 1.00 1.00 C ATOM 1110 C LYS A 67 71.268 22.259 -8.728 1.00 1.00 C ATOM 1111 O LYS A 67 72.256 22.618 -9.367 1.00 1.00 O ATOM 1112 CB LYS A 67 69.093 22.687 -9.863 1.00 1.00 C ATOM 1113 CG LYS A 67 67.993 22.093 -10.760 1.00 1.00 C ATOM 1114 CD LYS A 67 67.239 23.223 -11.474 1.00 1.00 C ATOM 1115 CE LYS A 67 65.995 22.659 -12.163 1.00 1.00 C ATOM 1116 NZ LYS A 67 65.076 22.085 -11.141 1.00 1.00 N ATOM 0 H LYS A 67 69.588 20.818 -7.542 1.00 1.00 H new ATOM 0 HA LYS A 67 70.436 21.048 -10.304 1.00 1.00 H new ATOM 0 HB2 LYS A 67 68.643 23.148 -8.984 1.00 1.00 H new ATOM 0 HB3 LYS A 67 69.622 23.474 -10.400 1.00 1.00 H new ATOM 0 HG2 LYS A 67 68.434 21.418 -11.493 1.00 1.00 H new ATOM 0 HG3 LYS A 67 67.300 21.503 -10.160 1.00 1.00 H new ATOM 0 HD2 LYS A 67 66.952 23.992 -10.756 1.00 1.00 H new ATOM 0 HD3 LYS A 67 67.889 23.699 -12.208 1.00 1.00 H new ATOM 0 HE2 LYS A 67 65.488 23.446 -12.722 1.00 1.00 H new ATOM 0 HE3 LYS A 67 66.281 21.891 -12.882 1.00 1.00 H new ATOM 0 HZ1 LYS A 67 64.107 22.061 -11.519 1.00 1.00 H new ATOM 0 HZ2 LYS A 67 65.379 21.119 -10.905 1.00 1.00 H new ATOM 0 HZ3 LYS A 67 65.099 22.674 -10.284 1.00 1.00 H new ATOM 1130 N HIS A 68 71.154 22.434 -7.417 1.00 1.00 N ATOM 1131 CA HIS A 68 72.215 23.077 -6.645 1.00 1.00 C ATOM 1132 C HIS A 68 73.423 22.152 -6.484 1.00 1.00 C ATOM 1133 O HIS A 68 73.280 20.933 -6.378 1.00 1.00 O ATOM 1134 CB HIS A 68 71.682 23.479 -5.263 1.00 1.00 C ATOM 1135 CG HIS A 68 70.679 24.595 -5.409 1.00 1.00 C ATOM 1136 ND1 HIS A 68 69.314 24.388 -5.283 1.00 1.00 N ATOM 1137 CD2 HIS A 68 70.831 25.933 -5.675 1.00 1.00 C ATOM 1138 CE1 HIS A 68 68.705 25.573 -5.471 1.00 1.00 C ATOM 1139 NE2 HIS A 68 69.584 26.549 -5.714 1.00 1.00 N ATOM 0 H HIS A 68 70.345 22.143 -6.868 1.00 1.00 H new ATOM 0 HA HIS A 68 72.537 23.966 -7.187 1.00 1.00 H new ATOM 0 HB2 HIS A 68 71.217 22.621 -4.778 1.00 1.00 H new ATOM 0 HB3 HIS A 68 72.505 23.799 -4.624 1.00 1.00 H new ATOM 0 HD2 HIS A 68 71.776 26.432 -5.831 1.00 1.00 H new ATOM 0 HE1 HIS A 68 67.635 25.717 -5.430 1.00 1.00 H new ATOM 0 HE2 HIS A 68 69.384 27.534 -5.890 1.00 1.00 H new ATOM 1148 N HIS A 69 74.612 22.751 -6.463 1.00 1.00 N ATOM 1149 CA HIS A 69 75.853 21.999 -6.311 1.00 1.00 C ATOM 1150 C HIS A 69 77.020 22.971 -6.156 1.00 1.00 C ATOM 1151 O HIS A 69 76.811 24.180 -6.062 1.00 1.00 O ATOM 1152 CB HIS A 69 76.080 21.100 -7.530 1.00 1.00 C ATOM 1153 CG HIS A 69 76.175 21.951 -8.768 1.00 1.00 C ATOM 1154 ND1 HIS A 69 75.074 22.221 -9.568 1.00 1.00 N ATOM 1155 CD2 HIS A 69 77.233 22.599 -9.357 1.00 1.00 C ATOM 1156 CE1 HIS A 69 75.491 23.001 -10.583 1.00 1.00 C ATOM 1157 NE2 HIS A 69 76.799 23.261 -10.502 1.00 1.00 N ATOM 0 H HIS A 69 74.741 23.759 -6.550 1.00 1.00 H new ATOM 0 HA HIS A 69 75.784 21.371 -5.423 1.00 1.00 H new ATOM 0 HB2 HIS A 69 76.994 20.520 -7.403 1.00 1.00 H new ATOM 0 HB3 HIS A 69 75.261 20.387 -7.627 1.00 1.00 H new ATOM 0 HD1 HIS A 69 74.122 21.889 -9.415 1.00 1.00 H new ATOM 0 HD2 HIS A 69 78.248 22.595 -8.988 1.00 1.00 H new ATOM 0 HE1 HIS A 69 74.847 23.371 -11.367 1.00 1.00 H new ATOM 1166 N HIS A 70 78.246 22.448 -6.129 1.00 1.00 N ATOM 1167 CA HIS A 70 79.430 23.302 -5.981 1.00 1.00 C ATOM 1168 C HIS A 70 80.680 22.588 -6.484 1.00 1.00 C ATOM 1169 O HIS A 70 80.872 21.397 -6.239 1.00 1.00 O ATOM 1170 CB HIS A 70 79.619 23.683 -4.506 1.00 1.00 C ATOM 1171 CG HIS A 70 78.511 24.605 -4.071 1.00 1.00 C ATOM 1172 ND1 HIS A 70 78.574 25.976 -4.264 1.00 1.00 N ATOM 1173 CD2 HIS A 70 77.306 24.367 -3.458 1.00 1.00 C ATOM 1174 CE1 HIS A 70 77.438 26.507 -3.775 1.00 1.00 C ATOM 1175 NE2 HIS A 70 76.630 25.570 -3.272 1.00 1.00 N ATOM 0 H HIS A 70 78.447 21.451 -6.206 1.00 1.00 H new ATOM 0 HA HIS A 70 79.277 24.202 -6.576 1.00 1.00 H new ATOM 0 HB2 HIS A 70 79.622 22.786 -3.887 1.00 1.00 H new ATOM 0 HB3 HIS A 70 80.585 24.169 -4.367 1.00 1.00 H new ATOM 0 HD2 HIS A 70 76.938 23.395 -3.165 1.00 1.00 H new ATOM 0 HE1 HIS A 70 77.208 27.562 -3.788 1.00 1.00 H new ATOM 0 HE2 HIS A 70 75.714 25.706 -2.844 1.00 1.00 H new