USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 816 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 44 GLN :FLIP amide:sc= -1.88 F(o=-4.5!,f=-2.8) USER MOD Set 1.2: B 44 GLN : amide:sc= -0.955 X(o=-2.8,f=-3.2!) USER MOD Single : A 1 PHE N :NH3+ 152:sc= 0.999 (180deg=0.417) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -66:sc= 0.575 USER MOD Single : A 16 HIS : no HD1:sc= -2.83 X(o=-2.8,f=-2.6!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.0103 K(o=-0.01,f=-1.8!) USER MOD Single : A 22 MET CE :methyl 155:sc= -0.283 (180deg=-1.44!) USER MOD Single : A 24 SER OG : rot 76:sc= 0.313 USER MOD Single : A 27 ASN :FLIP amide:sc= -1.04 F(o=-3.5!,f=-1) USER MOD Single : A 34 LYS NZ :NH3+ 156:sc= -0.179 (180deg=-0.983) USER MOD Single : A 39 SER OG : rot 90:sc= 0.841 USER MOD Single : A 42 LYS NZ :NH3+ 153:sc= -0.259 (180deg=-1.34!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -1.69 X(o=-1.7,f=-1.2) USER MOD Single : A 53 GLN : amide:sc= -0.261 X(o=-0.26,f=-0.4) USER MOD Single : B 1 PHE N :NH3+ 145:sc= 0.972 (180deg=0.383) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 TYR OH : rot -67:sc= 0.547 USER MOD Single : B 16 HIS : no HD1:sc= -2.74 X(o=-2.7,f=-2.6!) USER MOD Single : B 17 SER OG : rot 180:sc= 0 USER MOD Single : B 18 ASN : amide:sc= -0.0184 K(o=-0.018,f=-1.5!) USER MOD Single : B 22 MET CE :methyl 154:sc= -0.218 (180deg=-1.45!) USER MOD Single : B 24 SER OG : rot 75:sc= 0.31 USER MOD Single : B 27 ASN :FLIP amide:sc= -1.04 F(o=-3.6!,f=-1) USER MOD Single : B 34 LYS NZ :NH3+ 138:sc= -0.196 (180deg=-0.966) USER MOD Single : B 39 SER OG : rot 93:sc= 0.782 USER MOD Single : B 42 LYS NZ :NH3+ 132:sc= -0.237 (180deg=-1.32!) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 51 HIS :FLIP no HD1:sc= -1.21 F(o=-1.9,f=-1.2) USER MOD Single : B 53 GLN : amide:sc= -0.228 X(o=-0.23,f=-0.4) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 95.174 -4.852 23.868 1.00 0.00 N ATOM 2 CA PHE A 1 94.928 -4.063 25.108 1.00 0.00 C ATOM 3 C PHE A 1 95.058 -2.575 24.790 1.00 0.00 C ATOM 4 O PHE A 1 96.141 -2.061 24.591 1.00 0.00 O ATOM 5 CB PHE A 1 95.945 -4.470 26.174 1.00 0.00 C ATOM 6 CG PHE A 1 96.113 -5.973 26.143 1.00 0.00 C ATOM 7 CD1 PHE A 1 95.057 -6.799 26.541 1.00 0.00 C ATOM 8 CD2 PHE A 1 97.317 -6.543 25.702 1.00 0.00 C ATOM 9 CE1 PHE A 1 95.200 -8.192 26.504 1.00 0.00 C ATOM 10 CE2 PHE A 1 97.460 -7.937 25.666 1.00 0.00 C ATOM 11 CZ PHE A 1 96.402 -8.760 26.067 1.00 0.00 C ATOM 0 H1 PHE A 1 95.552 -5.787 24.121 1.00 0.00 H new ATOM 0 H2 PHE A 1 94.281 -4.969 23.348 1.00 0.00 H new ATOM 0 H3 PHE A 1 95.861 -4.351 23.268 1.00 0.00 H new ATOM 0 HA PHE A 1 93.924 -4.259 25.484 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.901 -3.980 25.989 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.607 -4.149 27.159 1.00 0.00 H new ATOM 0 HD1 PHE A 1 94.129 -6.362 26.878 1.00 0.00 H new ATOM 0 HD2 PHE A 1 98.133 -5.908 25.390 1.00 0.00 H new ATOM 0 HE1 PHE A 1 94.383 -8.827 26.813 1.00 0.00 H new ATOM 0 HE2 PHE A 1 98.387 -8.376 25.329 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.513 -9.834 26.039 1.00 0.00 H new ATOM 23 N LEU A 2 93.949 -1.884 24.719 1.00 0.00 N ATOM 24 CA LEU A 2 93.980 -0.426 24.389 1.00 0.00 C ATOM 25 C LEU A 2 93.865 0.418 25.651 1.00 0.00 C ATOM 26 O LEU A 2 93.098 0.129 26.537 1.00 0.00 O ATOM 27 CB LEU A 2 92.809 -0.089 23.462 1.00 0.00 C ATOM 28 CG LEU A 2 92.906 -0.899 22.163 1.00 0.00 C ATOM 29 CD1 LEU A 2 91.701 -0.562 21.276 1.00 0.00 C ATOM 30 CD2 LEU A 2 94.210 -0.558 21.418 1.00 0.00 C ATOM 0 H LEU A 2 93.018 -2.269 24.876 1.00 0.00 H new ATOM 0 HA LEU A 2 94.929 -0.205 23.900 1.00 0.00 H new ATOM 0 HB2 LEU A 2 91.866 -0.305 23.964 1.00 0.00 H new ATOM 0 HB3 LEU A 2 92.812 0.977 23.235 1.00 0.00 H new ATOM 0 HG LEU A 2 92.908 -1.963 22.399 1.00 0.00 H new ATOM 0 HD11 LEU A 2 91.760 -1.133 20.349 1.00 0.00 H new ATOM 0 HD12 LEU A 2 90.780 -0.817 21.801 1.00 0.00 H new ATOM 0 HD13 LEU A 2 91.705 0.504 21.047 1.00 0.00 H new ATOM 0 HD21 LEU A 2 94.266 -1.140 20.498 1.00 0.00 H new ATOM 0 HD22 LEU A 2 94.224 0.505 21.177 1.00 0.00 H new ATOM 0 HD23 LEU A 2 95.064 -0.797 22.051 1.00 0.00 H new ATOM 42 N ASP A 3 94.608 1.485 25.718 1.00 0.00 N ATOM 43 CA ASP A 3 94.526 2.376 26.904 1.00 0.00 C ATOM 44 C ASP A 3 93.094 2.898 27.016 1.00 0.00 C ATOM 45 O ASP A 3 92.541 2.994 28.092 1.00 0.00 O ATOM 46 CB ASP A 3 95.498 3.547 26.748 1.00 0.00 C ATOM 47 CG ASP A 3 96.934 3.041 26.903 1.00 0.00 C ATOM 48 OD1 ASP A 3 97.106 1.968 27.457 1.00 0.00 O ATOM 49 OD2 ASP A 3 97.837 3.738 26.472 1.00 0.00 O ATOM 0 H ASP A 3 95.270 1.779 25.000 1.00 0.00 H new ATOM 0 HA ASP A 3 94.794 1.824 27.805 1.00 0.00 H new ATOM 0 HB2 ASP A 3 95.369 4.013 25.771 1.00 0.00 H new ATOM 0 HB3 ASP A 3 95.287 4.311 27.496 1.00 0.00 H new ATOM 54 N GLY A 4 92.486 3.225 25.904 1.00 0.00 N ATOM 55 CA GLY A 4 91.081 3.728 25.938 1.00 0.00 C ATOM 56 C GLY A 4 90.233 2.795 26.807 1.00 0.00 C ATOM 57 O GLY A 4 89.122 3.116 27.181 1.00 0.00 O ATOM 0 H GLY A 4 92.902 3.165 24.975 1.00 0.00 H new ATOM 0 HA2 GLY A 4 91.055 4.741 26.338 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.674 3.774 24.928 1.00 0.00 H new ATOM 61 N ILE A 5 90.757 1.647 27.145 1.00 0.00 N ATOM 62 CA ILE A 5 90.002 0.698 28.005 1.00 0.00 C ATOM 63 C ILE A 5 89.698 1.383 29.340 1.00 0.00 C ATOM 64 O ILE A 5 88.652 1.183 29.927 1.00 0.00 O ATOM 65 CB ILE A 5 90.842 -0.572 28.221 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.804 -1.428 26.950 1.00 0.00 C ATOM 67 CG2 ILE A 5 90.288 -1.384 29.399 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.868 -2.525 27.039 1.00 0.00 C ATOM 0 H ILE A 5 91.682 1.326 26.859 1.00 0.00 H new ATOM 0 HA ILE A 5 89.064 0.413 27.529 1.00 0.00 H new ATOM 0 HB ILE A 5 91.869 -0.283 28.443 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.817 -1.874 26.829 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.982 -0.805 26.074 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.893 -2.280 29.540 1.00 0.00 H new ATOM 0 HG22 ILE A 5 90.320 -0.779 30.305 1.00 0.00 H new ATOM 0 HG23 ILE A 5 89.257 -1.671 29.190 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.840 -3.133 26.135 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.853 -2.069 27.140 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.669 -3.155 27.906 1.00 0.00 H new ATOM 80 N ASP A 6 90.598 2.194 29.817 1.00 0.00 N ATOM 81 CA ASP A 6 90.355 2.900 31.105 1.00 0.00 C ATOM 82 C ASP A 6 89.097 3.756 30.949 1.00 0.00 C ATOM 83 O ASP A 6 88.270 3.836 31.836 1.00 0.00 O ATOM 84 CB ASP A 6 91.555 3.790 31.434 1.00 0.00 C ATOM 85 CG ASP A 6 92.754 2.908 31.788 1.00 0.00 C ATOM 86 OD1 ASP A 6 92.540 1.746 32.093 1.00 0.00 O ATOM 87 OD2 ASP A 6 93.866 3.407 31.738 1.00 0.00 O ATOM 0 H ASP A 6 91.492 2.399 29.371 1.00 0.00 H new ATOM 0 HA ASP A 6 90.220 2.182 31.914 1.00 0.00 H new ATOM 0 HB2 ASP A 6 91.795 4.426 30.582 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.315 4.450 32.268 1.00 0.00 H new ATOM 92 N LYS A 7 88.941 4.381 29.814 1.00 0.00 N ATOM 93 CA LYS A 7 87.730 5.215 29.574 1.00 0.00 C ATOM 94 C LYS A 7 86.503 4.303 29.610 1.00 0.00 C ATOM 95 O LYS A 7 85.463 4.655 30.129 1.00 0.00 O ATOM 96 CB LYS A 7 87.833 5.882 28.198 1.00 0.00 C ATOM 97 CG LYS A 7 86.639 6.820 27.987 1.00 0.00 C ATOM 98 CD LYS A 7 86.715 7.456 26.590 1.00 0.00 C ATOM 99 CE LYS A 7 87.851 8.485 26.530 1.00 0.00 C ATOM 100 NZ LYS A 7 87.619 9.409 25.383 1.00 0.00 N ATOM 0 H LYS A 7 89.604 4.349 29.039 1.00 0.00 H new ATOM 0 HA LYS A 7 87.647 5.988 30.338 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.765 6.442 28.124 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.854 5.123 27.416 1.00 0.00 H new ATOM 0 HG2 LYS A 7 85.707 6.266 28.094 1.00 0.00 H new ATOM 0 HG3 LYS A 7 86.637 7.598 28.751 1.00 0.00 H new ATOM 0 HD2 LYS A 7 86.877 6.682 25.840 1.00 0.00 H new ATOM 0 HD3 LYS A 7 85.767 7.938 26.351 1.00 0.00 H new ATOM 0 HE2 LYS A 7 87.897 9.048 27.462 1.00 0.00 H new ATOM 0 HE3 LYS A 7 88.810 7.979 26.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 88.388 10.108 25.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 87.596 8.864 24.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 86.711 9.900 25.511 1.00 0.00 H new ATOM 114 N ALA A 8 86.629 3.126 29.061 1.00 0.00 N ATOM 115 CA ALA A 8 85.487 2.170 29.049 1.00 0.00 C ATOM 116 C ALA A 8 85.068 1.851 30.487 1.00 0.00 C ATOM 117 O ALA A 8 83.899 1.697 30.780 1.00 0.00 O ATOM 118 CB ALA A 8 85.919 0.880 28.349 1.00 0.00 C ATOM 0 H ALA A 8 87.481 2.784 28.617 1.00 0.00 H new ATOM 0 HA ALA A 8 84.645 2.614 28.518 1.00 0.00 H new ATOM 0 HB1 ALA A 8 85.087 0.176 28.337 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.219 1.104 27.325 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.759 0.439 28.885 1.00 0.00 H new ATOM 124 N GLN A 9 86.007 1.746 31.386 1.00 0.00 N ATOM 125 CA GLN A 9 85.648 1.431 32.799 1.00 0.00 C ATOM 126 C GLN A 9 84.728 2.528 33.340 1.00 0.00 C ATOM 127 O GLN A 9 83.757 2.262 34.021 1.00 0.00 O ATOM 128 CB GLN A 9 86.924 1.377 33.646 1.00 0.00 C ATOM 129 CG GLN A 9 87.738 0.140 33.262 1.00 0.00 C ATOM 130 CD GLN A 9 89.043 0.110 34.059 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.473 1.118 34.583 1.00 0.00 O ATOM 132 NE2 GLN A 9 89.699 -1.013 34.167 1.00 0.00 N ATOM 0 H GLN A 9 87.004 1.864 31.205 1.00 0.00 H new ATOM 0 HA GLN A 9 85.139 0.468 32.843 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.516 2.279 33.489 1.00 0.00 H new ATOM 0 HB3 GLN A 9 86.669 1.344 34.705 1.00 0.00 H new ATOM 0 HG2 GLN A 9 87.160 -0.763 33.460 1.00 0.00 H new ATOM 0 HG3 GLN A 9 87.954 0.153 32.194 1.00 0.00 H new ATOM 0 HE21 GLN A 9 89.338 -1.859 33.727 1.00 0.00 H new ATOM 0 HE22 GLN A 9 90.573 -1.045 34.692 1.00 0.00 H new ATOM 141 N GLU A 10 85.027 3.759 33.035 1.00 0.00 N ATOM 142 CA GLU A 10 84.178 4.886 33.517 1.00 0.00 C ATOM 143 C GLU A 10 82.760 4.752 32.955 1.00 0.00 C ATOM 144 O GLU A 10 81.786 5.027 33.626 1.00 0.00 O ATOM 145 CB GLU A 10 84.779 6.214 33.053 1.00 0.00 C ATOM 146 CG GLU A 10 86.080 6.479 33.812 1.00 0.00 C ATOM 147 CD GLU A 10 86.780 7.700 33.213 1.00 0.00 C ATOM 148 OE1 GLU A 10 86.229 8.281 32.292 1.00 0.00 O ATOM 149 OE2 GLU A 10 87.856 8.030 33.681 1.00 0.00 O ATOM 0 H GLU A 10 85.829 4.036 32.468 1.00 0.00 H new ATOM 0 HA GLU A 10 84.138 4.859 34.606 1.00 0.00 H new ATOM 0 HB2 GLU A 10 84.971 6.183 31.981 1.00 0.00 H new ATOM 0 HB3 GLU A 10 84.072 7.026 33.227 1.00 0.00 H new ATOM 0 HG2 GLU A 10 85.869 6.649 34.868 1.00 0.00 H new ATOM 0 HG3 GLU A 10 86.732 5.607 33.753 1.00 0.00 H new ATOM 156 N GLU A 11 82.641 4.358 31.713 1.00 0.00 N ATOM 157 CA GLU A 11 81.290 4.236 31.086 1.00 0.00 C ATOM 158 C GLU A 11 80.732 2.824 31.279 1.00 0.00 C ATOM 159 O GLU A 11 79.654 2.510 30.815 1.00 0.00 O ATOM 160 CB GLU A 11 81.403 4.532 29.588 1.00 0.00 C ATOM 161 CG GLU A 11 81.732 6.013 29.388 1.00 0.00 C ATOM 162 CD GLU A 11 81.846 6.316 27.893 1.00 0.00 C ATOM 163 OE1 GLU A 11 81.855 5.375 27.117 1.00 0.00 O ATOM 164 OE2 GLU A 11 81.920 7.484 27.549 1.00 0.00 O ATOM 0 H GLU A 11 83.423 4.115 31.105 1.00 0.00 H new ATOM 0 HA GLU A 11 80.616 4.948 31.562 1.00 0.00 H new ATOM 0 HB2 GLU A 11 82.180 3.912 29.141 1.00 0.00 H new ATOM 0 HB3 GLU A 11 80.468 4.284 29.085 1.00 0.00 H new ATOM 0 HG2 GLU A 11 80.955 6.632 29.837 1.00 0.00 H new ATOM 0 HG3 GLU A 11 82.667 6.260 29.892 1.00 0.00 H new ATOM 171 N CYS A 12 81.443 1.969 31.958 1.00 0.00 N ATOM 172 CA CYS A 12 80.926 0.586 32.170 1.00 0.00 C ATOM 173 C CYS A 12 79.493 0.661 32.710 1.00 0.00 C ATOM 174 O CYS A 12 78.625 -0.082 32.297 1.00 0.00 O ATOM 175 CB CYS A 12 81.818 -0.144 33.175 1.00 0.00 C ATOM 176 SG CYS A 12 81.205 -1.832 33.409 1.00 0.00 S ATOM 0 H CYS A 12 82.354 2.164 32.374 1.00 0.00 H new ATOM 0 HA CYS A 12 80.931 0.043 31.225 1.00 0.00 H new ATOM 0 HB2 CYS A 12 82.847 -0.166 32.816 1.00 0.00 H new ATOM 0 HB3 CYS A 12 81.823 0.388 34.126 1.00 0.00 H new ATOM 181 N GLU A 13 79.241 1.557 33.625 1.00 0.00 N ATOM 182 CA GLU A 13 77.866 1.693 34.193 1.00 0.00 C ATOM 183 C GLU A 13 76.881 2.052 33.075 1.00 0.00 C ATOM 184 O GLU A 13 75.755 1.598 33.056 1.00 0.00 O ATOM 185 CB GLU A 13 77.854 2.794 35.258 1.00 0.00 C ATOM 186 CG GLU A 13 76.459 2.880 35.887 1.00 0.00 C ATOM 187 CD GLU A 13 76.461 3.932 36.998 1.00 0.00 C ATOM 188 OE1 GLU A 13 77.510 4.500 37.247 1.00 0.00 O ATOM 189 OE2 GLU A 13 75.411 4.148 37.582 1.00 0.00 O ATOM 0 H GLU A 13 79.931 2.205 34.006 1.00 0.00 H new ATOM 0 HA GLU A 13 77.570 0.748 34.648 1.00 0.00 H new ATOM 0 HB2 GLU A 13 78.598 2.581 36.025 1.00 0.00 H new ATOM 0 HB3 GLU A 13 78.123 3.751 34.810 1.00 0.00 H new ATOM 0 HG2 GLU A 13 75.722 3.140 35.127 1.00 0.00 H new ATOM 0 HG3 GLU A 13 76.171 1.910 36.292 1.00 0.00 H new ATOM 196 N LYS A 14 77.294 2.884 32.160 1.00 0.00 N ATOM 197 CA LYS A 14 76.383 3.303 31.054 1.00 0.00 C ATOM 198 C LYS A 14 75.944 2.070 30.254 1.00 0.00 C ATOM 199 O LYS A 14 74.804 1.960 29.849 1.00 0.00 O ATOM 200 CB LYS A 14 77.127 4.287 30.139 1.00 0.00 C ATOM 201 CG LYS A 14 76.231 4.752 28.979 1.00 0.00 C ATOM 202 CD LYS A 14 75.046 5.568 29.518 1.00 0.00 C ATOM 203 CE LYS A 14 74.449 6.421 28.393 1.00 0.00 C ATOM 204 NZ LYS A 14 73.294 7.202 28.923 1.00 0.00 N ATOM 0 H LYS A 14 78.227 3.295 32.129 1.00 0.00 H new ATOM 0 HA LYS A 14 75.498 3.789 31.466 1.00 0.00 H new ATOM 0 HB2 LYS A 14 77.454 5.150 30.718 1.00 0.00 H new ATOM 0 HB3 LYS A 14 78.024 3.812 29.742 1.00 0.00 H new ATOM 0 HG2 LYS A 14 76.811 5.357 28.282 1.00 0.00 H new ATOM 0 HG3 LYS A 14 75.865 3.888 28.424 1.00 0.00 H new ATOM 0 HD2 LYS A 14 74.286 4.899 29.922 1.00 0.00 H new ATOM 0 HD3 LYS A 14 75.376 6.208 30.336 1.00 0.00 H new ATOM 0 HE2 LYS A 14 75.206 7.096 27.993 1.00 0.00 H new ATOM 0 HE3 LYS A 14 74.124 5.783 27.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 72.888 7.781 28.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 72.570 6.549 29.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 73.618 7.821 29.693 1.00 0.00 H new ATOM 218 N TYR A 15 76.835 1.145 30.015 1.00 0.00 N ATOM 219 CA TYR A 15 76.455 -0.071 29.234 1.00 0.00 C ATOM 220 C TYR A 15 75.866 -1.127 30.174 1.00 0.00 C ATOM 221 O TYR A 15 75.244 -2.075 29.743 1.00 0.00 O ATOM 222 CB TYR A 15 77.694 -0.638 28.537 1.00 0.00 C ATOM 223 CG TYR A 15 78.187 0.353 27.509 1.00 0.00 C ATOM 224 CD1 TYR A 15 77.575 0.417 26.253 1.00 0.00 C ATOM 225 CD2 TYR A 15 79.250 1.209 27.815 1.00 0.00 C ATOM 226 CE1 TYR A 15 78.026 1.338 25.300 1.00 0.00 C ATOM 227 CE2 TYR A 15 79.701 2.132 26.863 1.00 0.00 C ATOM 228 CZ TYR A 15 79.090 2.194 25.605 1.00 0.00 C ATOM 229 OH TYR A 15 79.535 3.103 24.665 1.00 0.00 O ATOM 0 H TYR A 15 77.806 1.177 30.325 1.00 0.00 H new ATOM 0 HA TYR A 15 75.709 0.199 28.486 1.00 0.00 H new ATOM 0 HB2 TYR A 15 78.476 -0.840 29.269 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.453 -1.587 28.058 1.00 0.00 H new ATOM 0 HD1 TYR A 15 76.754 -0.244 26.018 1.00 0.00 H new ATOM 0 HD2 TYR A 15 79.723 1.158 28.785 1.00 0.00 H new ATOM 0 HE1 TYR A 15 77.553 1.388 24.330 1.00 0.00 H new ATOM 0 HE2 TYR A 15 80.520 2.796 27.099 1.00 0.00 H new ATOM 0 HH TYR A 15 79.924 2.623 23.904 1.00 0.00 H new ATOM 239 N HIS A 16 76.047 -0.962 31.457 1.00 0.00 N ATOM 240 CA HIS A 16 75.482 -1.948 32.426 1.00 0.00 C ATOM 241 C HIS A 16 76.043 -3.346 32.147 1.00 0.00 C ATOM 242 O HIS A 16 77.231 -3.527 31.969 1.00 0.00 O ATOM 243 CB HIS A 16 73.957 -1.970 32.296 1.00 0.00 C ATOM 244 CG HIS A 16 73.448 -0.562 32.162 1.00 0.00 C ATOM 245 ND1 HIS A 16 73.201 0.246 33.264 1.00 0.00 N ATOM 246 CD2 HIS A 16 73.140 0.202 31.062 1.00 0.00 C ATOM 247 CE1 HIS A 16 72.766 1.434 32.807 1.00 0.00 C ATOM 248 NE2 HIS A 16 72.711 1.458 31.475 1.00 0.00 N ATOM 0 H HIS A 16 76.561 -0.188 31.877 1.00 0.00 H new ATOM 0 HA HIS A 16 75.760 -1.653 33.438 1.00 0.00 H new ATOM 0 HB2 HIS A 16 73.663 -2.559 31.427 1.00 0.00 H new ATOM 0 HB3 HIS A 16 73.513 -2.447 33.170 1.00 0.00 H new ATOM 0 HD2 HIS A 16 73.219 -0.123 30.035 1.00 0.00 H new ATOM 0 HE1 HIS A 16 72.495 2.266 33.441 1.00 0.00 H new ATOM 0 HE2 HIS A 16 72.416 2.235 30.883 1.00 0.00 H new ATOM 257 N SER A 17 75.190 -4.337 32.122 1.00 0.00 N ATOM 258 CA SER A 17 75.657 -5.732 31.870 1.00 0.00 C ATOM 259 C SER A 17 75.758 -5.986 30.366 1.00 0.00 C ATOM 260 O SER A 17 76.159 -7.050 29.936 1.00 0.00 O ATOM 261 CB SER A 17 74.662 -6.718 32.481 1.00 0.00 C ATOM 262 OG SER A 17 74.575 -6.490 33.881 1.00 0.00 O ATOM 0 H SER A 17 74.185 -4.239 32.266 1.00 0.00 H new ATOM 0 HA SER A 17 76.639 -5.867 32.324 1.00 0.00 H new ATOM 0 HB2 SER A 17 73.682 -6.597 32.019 1.00 0.00 H new ATOM 0 HB3 SER A 17 74.981 -7.742 32.287 1.00 0.00 H new ATOM 0 HG SER A 17 73.936 -7.120 34.276 1.00 0.00 H new ATOM 268 N ASN A 18 75.396 -5.028 29.557 1.00 0.00 N ATOM 269 CA ASN A 18 75.477 -5.243 28.085 1.00 0.00 C ATOM 270 C ASN A 18 76.924 -5.047 27.641 1.00 0.00 C ATOM 271 O ASN A 18 77.265 -4.067 27.011 1.00 0.00 O ATOM 272 CB ASN A 18 74.589 -4.228 27.362 1.00 0.00 C ATOM 273 CG ASN A 18 73.119 -4.508 27.679 1.00 0.00 C ATOM 274 OD1 ASN A 18 72.773 -5.590 28.109 1.00 0.00 O ATOM 275 ND2 ASN A 18 72.233 -3.575 27.470 1.00 0.00 N ATOM 0 H ASN A 18 75.051 -4.114 29.848 1.00 0.00 H new ATOM 0 HA ASN A 18 75.140 -6.251 27.843 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.851 -3.216 27.671 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.756 -4.286 26.286 1.00 0.00 H new ATOM 0 HD21 ASN A 18 71.248 -3.753 27.668 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.524 -2.667 27.109 1.00 0.00 H new ATOM 282 N TRP A 19 77.779 -5.977 27.967 1.00 0.00 N ATOM 283 CA TRP A 19 79.204 -5.845 27.570 1.00 0.00 C ATOM 284 C TRP A 19 79.316 -6.016 26.056 1.00 0.00 C ATOM 285 O TRP A 19 80.226 -5.512 25.429 1.00 0.00 O ATOM 286 CB TRP A 19 80.029 -6.925 28.274 1.00 0.00 C ATOM 287 CG TRP A 19 79.533 -8.277 27.872 1.00 0.00 C ATOM 288 CD1 TRP A 19 78.539 -8.959 28.488 1.00 0.00 C ATOM 289 CD2 TRP A 19 79.993 -9.123 26.781 1.00 0.00 C ATOM 290 NE1 TRP A 19 78.361 -10.170 27.841 1.00 0.00 N ATOM 291 CE2 TRP A 19 79.235 -10.317 26.782 1.00 0.00 C ATOM 292 CE3 TRP A 19 80.986 -8.969 25.799 1.00 0.00 C ATOM 293 CZ2 TRP A 19 79.456 -11.323 25.842 1.00 0.00 C ATOM 294 CZ3 TRP A 19 81.211 -9.978 24.851 1.00 0.00 C ATOM 295 CH2 TRP A 19 80.448 -11.154 24.872 1.00 0.00 C ATOM 0 H TRP A 19 77.550 -6.822 28.491 1.00 0.00 H new ATOM 0 HA TRP A 19 79.580 -4.863 27.856 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.082 -6.820 28.013 1.00 0.00 H new ATOM 0 HB3 TRP A 19 79.955 -6.806 29.355 1.00 0.00 H new ATOM 0 HD1 TRP A 19 77.977 -8.615 29.344 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.669 -10.868 28.113 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.580 -8.067 25.774 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.865 -12.227 25.863 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 81.977 -9.848 24.100 1.00 0.00 H new ATOM 0 HH2 TRP A 19 80.626 -11.928 24.140 1.00 0.00 H new ATOM 306 N ARG A 20 78.395 -6.724 25.463 1.00 0.00 N ATOM 307 CA ARG A 20 78.449 -6.923 23.989 1.00 0.00 C ATOM 308 C ARG A 20 78.371 -5.567 23.285 1.00 0.00 C ATOM 309 O ARG A 20 79.048 -5.324 22.306 1.00 0.00 O ATOM 310 CB ARG A 20 77.266 -7.787 23.549 1.00 0.00 C ATOM 311 CG ARG A 20 77.460 -9.222 24.043 1.00 0.00 C ATOM 312 CD ARG A 20 76.271 -10.076 23.597 1.00 0.00 C ATOM 313 NE ARG A 20 76.449 -11.473 24.085 1.00 0.00 N ATOM 314 CZ ARG A 20 75.443 -12.304 24.057 1.00 0.00 C ATOM 315 NH1 ARG A 20 74.290 -11.913 23.586 1.00 0.00 N ATOM 316 NH2 ARG A 20 75.589 -13.525 24.493 1.00 0.00 N ATOM 0 H ARG A 20 77.609 -7.172 25.935 1.00 0.00 H new ATOM 0 HA ARG A 20 79.384 -7.417 23.726 1.00 0.00 H new ATOM 0 HB2 ARG A 20 76.337 -7.378 23.947 1.00 0.00 H new ATOM 0 HB3 ARG A 20 77.180 -7.775 22.462 1.00 0.00 H new ATOM 0 HG2 ARG A 20 78.388 -9.633 23.645 1.00 0.00 H new ATOM 0 HG3 ARG A 20 77.545 -9.236 25.130 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.343 -9.659 23.988 1.00 0.00 H new ATOM 0 HD3 ARG A 20 76.191 -10.067 22.510 1.00 0.00 H new ATOM 0 HE ARG A 20 77.355 -11.779 24.440 1.00 0.00 H new ATOM 0 HH11 ARG A 20 74.177 -10.960 23.241 1.00 0.00 H new ATOM 0 HH12 ARG A 20 73.502 -12.561 23.563 1.00 0.00 H new ATOM 0 HH21 ARG A 20 76.491 -13.832 24.857 1.00 0.00 H new ATOM 0 HH22 ARG A 20 74.801 -14.172 24.470 1.00 0.00 H new ATOM 330 N ALA A 21 77.546 -4.683 23.775 1.00 0.00 N ATOM 331 CA ALA A 21 77.421 -3.345 23.132 1.00 0.00 C ATOM 332 C ALA A 21 78.728 -2.566 23.307 1.00 0.00 C ATOM 333 O ALA A 21 79.226 -1.955 22.382 1.00 0.00 O ATOM 334 CB ALA A 21 76.273 -2.572 23.785 1.00 0.00 C ATOM 0 H ALA A 21 76.954 -4.829 24.592 1.00 0.00 H new ATOM 0 HA ALA A 21 77.216 -3.471 22.069 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.180 -1.593 23.316 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.343 -3.125 23.657 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.477 -2.447 24.848 1.00 0.00 H new ATOM 340 N MET A 22 79.287 -2.581 24.487 1.00 0.00 N ATOM 341 CA MET A 22 80.560 -1.840 24.715 1.00 0.00 C ATOM 342 C MET A 22 81.664 -2.433 23.837 1.00 0.00 C ATOM 343 O MET A 22 82.463 -1.721 23.265 1.00 0.00 O ATOM 344 CB MET A 22 80.957 -1.953 26.189 1.00 0.00 C ATOM 345 CG MET A 22 82.230 -1.142 26.442 1.00 0.00 C ATOM 346 SD MET A 22 82.626 -1.164 28.210 1.00 0.00 S ATOM 347 CE MET A 22 82.864 -2.950 28.380 1.00 0.00 C ATOM 0 H MET A 22 78.918 -3.073 25.301 1.00 0.00 H new ATOM 0 HA MET A 22 80.421 -0.790 24.456 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.149 -1.587 26.823 1.00 0.00 H new ATOM 0 HB3 MET A 22 81.121 -2.998 26.453 1.00 0.00 H new ATOM 0 HG2 MET A 22 83.058 -1.559 25.869 1.00 0.00 H new ATOM 0 HG3 MET A 22 82.092 -0.115 26.103 1.00 0.00 H new ATOM 0 HE1 MET A 22 83.522 -3.151 29.225 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.900 -3.431 28.548 1.00 0.00 H new ATOM 0 HE3 MET A 22 83.313 -3.346 27.469 1.00 0.00 H new ATOM 357 N ALA A 23 81.711 -3.732 23.714 1.00 0.00 N ATOM 358 CA ALA A 23 82.764 -4.354 22.864 1.00 0.00 C ATOM 359 C ALA A 23 82.631 -3.829 21.433 1.00 0.00 C ATOM 360 O ALA A 23 83.609 -3.562 20.764 1.00 0.00 O ATOM 361 CB ALA A 23 82.591 -5.874 22.866 1.00 0.00 C ATOM 0 H ALA A 23 81.069 -4.386 24.163 1.00 0.00 H new ATOM 0 HA ALA A 23 83.748 -4.101 23.258 1.00 0.00 H new ATOM 0 HB1 ALA A 23 83.362 -6.329 22.244 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.680 -6.249 23.886 1.00 0.00 H new ATOM 0 HB3 ALA A 23 81.608 -6.129 22.470 1.00 0.00 H new ATOM 367 N SER A 24 81.424 -3.686 20.961 1.00 0.00 N ATOM 368 CA SER A 24 81.211 -3.185 19.572 1.00 0.00 C ATOM 369 C SER A 24 81.623 -1.713 19.471 1.00 0.00 C ATOM 370 O SER A 24 82.127 -1.269 18.458 1.00 0.00 O ATOM 371 CB SER A 24 79.733 -3.324 19.209 1.00 0.00 C ATOM 372 OG SER A 24 79.352 -4.690 19.316 1.00 0.00 O ATOM 0 H SER A 24 80.571 -3.895 21.479 1.00 0.00 H new ATOM 0 HA SER A 24 81.820 -3.771 18.884 1.00 0.00 H new ATOM 0 HB2 SER A 24 79.124 -2.711 19.873 1.00 0.00 H new ATOM 0 HB3 SER A 24 79.560 -2.964 18.195 1.00 0.00 H new ATOM 0 HG SER A 24 79.248 -4.927 20.261 1.00 0.00 H new ATOM 378 N ASP A 25 81.403 -0.949 20.506 1.00 0.00 N ATOM 379 CA ASP A 25 81.768 0.496 20.457 1.00 0.00 C ATOM 380 C ASP A 25 83.286 0.636 20.438 1.00 0.00 C ATOM 381 O ASP A 25 83.841 1.425 19.698 1.00 0.00 O ATOM 382 CB ASP A 25 81.229 1.191 21.706 1.00 0.00 C ATOM 383 CG ASP A 25 81.376 2.705 21.554 1.00 0.00 C ATOM 384 OD1 ASP A 25 82.174 3.124 20.732 1.00 0.00 O ATOM 385 OD2 ASP A 25 80.689 3.421 22.264 1.00 0.00 O ATOM 0 H ASP A 25 80.987 -1.262 21.383 1.00 0.00 H new ATOM 0 HA ASP A 25 81.342 0.948 19.561 1.00 0.00 H new ATOM 0 HB2 ASP A 25 80.181 0.930 21.856 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.772 0.849 22.587 1.00 0.00 H new ATOM 390 N PHE A 26 83.961 -0.129 21.245 1.00 0.00 N ATOM 391 CA PHE A 26 85.452 -0.059 21.285 1.00 0.00 C ATOM 392 C PHE A 26 86.038 -1.114 20.341 1.00 0.00 C ATOM 393 O PHE A 26 87.238 -1.236 20.195 1.00 0.00 O ATOM 394 CB PHE A 26 85.934 -0.309 22.715 1.00 0.00 C ATOM 395 CG PHE A 26 85.564 0.873 23.583 1.00 0.00 C ATOM 396 CD1 PHE A 26 84.332 0.901 24.253 1.00 0.00 C ATOM 397 CD2 PHE A 26 86.456 1.945 23.717 1.00 0.00 C ATOM 398 CE1 PHE A 26 83.996 1.999 25.053 1.00 0.00 C ATOM 399 CE2 PHE A 26 86.118 3.042 24.518 1.00 0.00 C ATOM 400 CZ PHE A 26 84.889 3.069 25.186 1.00 0.00 C ATOM 0 H PHE A 26 83.544 -0.806 21.885 1.00 0.00 H new ATOM 0 HA PHE A 26 85.783 0.929 20.964 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.482 -1.219 23.109 1.00 0.00 H new ATOM 0 HB3 PHE A 26 87.014 -0.459 22.726 1.00 0.00 H new ATOM 0 HD1 PHE A 26 83.643 0.076 24.152 1.00 0.00 H new ATOM 0 HD2 PHE A 26 87.405 1.925 23.202 1.00 0.00 H new ATOM 0 HE1 PHE A 26 83.047 2.021 25.568 1.00 0.00 H new ATOM 0 HE2 PHE A 26 86.806 3.868 24.620 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.629 3.915 25.804 1.00 0.00 H new ATOM 410 N ASN A 27 85.194 -1.867 19.687 1.00 0.00 N ATOM 411 CA ASN A 27 85.688 -2.906 18.737 1.00 0.00 C ATOM 412 C ASN A 27 86.737 -3.788 19.420 1.00 0.00 C ATOM 413 O ASN A 27 87.805 -4.015 18.889 1.00 0.00 O ATOM 414 CB ASN A 27 86.312 -2.223 17.515 1.00 0.00 C ATOM 415 CG ASN A 27 85.230 -1.479 16.726 1.00 0.00 C ATOM 416 OD1 ASN A 27 83.974 -1.797 16.891 1.00 0.00 O flip ATOM 417 ND2 ASN A 27 85.531 -0.594 15.949 1.00 0.00 N flip ATOM 0 H ASN A 27 84.179 -1.807 19.770 1.00 0.00 H new ATOM 0 HA ASN A 27 84.850 -3.529 18.423 1.00 0.00 H new ATOM 0 HB2 ASN A 27 87.087 -1.526 17.833 1.00 0.00 H new ATOM 0 HB3 ASN A 27 86.793 -2.965 16.878 1.00 0.00 H new ATOM 0 HD21 ASN A 27 86.511 -0.342 15.817 1.00 0.00 H new ATOM 0 HD22 ASN A 27 84.804 -0.103 15.429 1.00 0.00 H new ATOM 424 N LEU A 28 86.431 -4.293 20.593 1.00 0.00 N ATOM 425 CA LEU A 28 87.397 -5.178 21.329 1.00 0.00 C ATOM 426 C LEU A 28 86.779 -6.574 21.488 1.00 0.00 C ATOM 427 O LEU A 28 85.572 -6.712 21.530 1.00 0.00 O ATOM 428 CB LEU A 28 87.654 -4.588 22.721 1.00 0.00 C ATOM 429 CG LEU A 28 88.532 -3.330 22.613 1.00 0.00 C ATOM 430 CD1 LEU A 28 88.389 -2.496 23.891 1.00 0.00 C ATOM 431 CD2 LEU A 28 90.011 -3.720 22.431 1.00 0.00 C ATOM 0 H LEU A 28 85.548 -4.130 21.077 1.00 0.00 H new ATOM 0 HA LEU A 28 88.332 -5.246 20.773 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.706 -4.339 23.198 1.00 0.00 H new ATOM 0 HB3 LEU A 28 88.144 -5.329 23.353 1.00 0.00 H new ATOM 0 HG LEU A 28 88.207 -2.751 21.749 1.00 0.00 H new ATOM 0 HD11 LEU A 28 89.011 -1.604 23.815 1.00 0.00 H new ATOM 0 HD12 LEU A 28 87.347 -2.202 24.019 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.707 -3.088 24.749 1.00 0.00 H new ATOM 0 HD21 LEU A 28 90.619 -2.818 22.356 1.00 0.00 H new ATOM 0 HD22 LEU A 28 90.340 -4.309 23.287 1.00 0.00 H new ATOM 0 HD23 LEU A 28 90.123 -4.309 21.521 1.00 0.00 H new ATOM 443 N PRO A 29 87.588 -7.608 21.579 1.00 0.00 N ATOM 444 CA PRO A 29 87.076 -9.002 21.737 1.00 0.00 C ATOM 445 C PRO A 29 86.538 -9.263 23.160 1.00 0.00 C ATOM 446 O PRO A 29 86.981 -8.651 24.111 1.00 0.00 O ATOM 447 CB PRO A 29 88.311 -9.869 21.450 1.00 0.00 C ATOM 448 CG PRO A 29 89.471 -9.019 21.855 1.00 0.00 C ATOM 449 CD PRO A 29 89.065 -7.576 21.537 1.00 0.00 C ATOM 0 HA PRO A 29 86.236 -9.212 21.075 1.00 0.00 H new ATOM 0 HB2 PRO A 29 88.283 -10.799 22.018 1.00 0.00 H new ATOM 0 HB3 PRO A 29 88.368 -10.141 20.396 1.00 0.00 H new ATOM 0 HG2 PRO A 29 89.691 -9.138 22.916 1.00 0.00 H new ATOM 0 HG3 PRO A 29 90.371 -9.301 21.309 1.00 0.00 H new ATOM 0 HD2 PRO A 29 89.471 -6.876 22.267 1.00 0.00 H new ATOM 0 HD3 PRO A 29 89.431 -7.264 20.559 1.00 0.00 H new ATOM 457 N PRO A 30 85.592 -10.167 23.310 1.00 0.00 N ATOM 458 CA PRO A 30 85.005 -10.501 24.642 1.00 0.00 C ATOM 459 C PRO A 30 86.048 -10.587 25.768 1.00 0.00 C ATOM 460 O PRO A 30 85.731 -10.418 26.928 1.00 0.00 O ATOM 461 CB PRO A 30 84.362 -11.874 24.413 1.00 0.00 C ATOM 462 CG PRO A 30 83.984 -11.896 22.963 1.00 0.00 C ATOM 463 CD PRO A 30 84.972 -10.970 22.234 1.00 0.00 C ATOM 0 HA PRO A 30 84.311 -9.727 24.970 1.00 0.00 H new ATOM 0 HB2 PRO A 30 85.058 -12.679 24.650 1.00 0.00 H new ATOM 0 HB3 PRO A 30 83.488 -12.010 25.050 1.00 0.00 H new ATOM 0 HG2 PRO A 30 84.037 -12.909 22.565 1.00 0.00 H new ATOM 0 HG3 PRO A 30 82.959 -11.553 22.825 1.00 0.00 H new ATOM 0 HD2 PRO A 30 85.720 -11.542 21.685 1.00 0.00 H new ATOM 0 HD3 PRO A 30 84.461 -10.336 21.510 1.00 0.00 H new ATOM 471 N VAL A 31 87.278 -10.881 25.444 1.00 0.00 N ATOM 472 CA VAL A 31 88.309 -11.010 26.519 1.00 0.00 C ATOM 473 C VAL A 31 88.442 -9.694 27.292 1.00 0.00 C ATOM 474 O VAL A 31 88.408 -9.677 28.508 1.00 0.00 O ATOM 475 CB VAL A 31 89.664 -11.369 25.891 1.00 0.00 C ATOM 476 CG1 VAL A 31 90.778 -11.260 26.945 1.00 0.00 C ATOM 477 CG2 VAL A 31 89.606 -12.802 25.357 1.00 0.00 C ATOM 0 H VAL A 31 87.613 -11.036 24.493 1.00 0.00 H new ATOM 0 HA VAL A 31 88.000 -11.796 27.208 1.00 0.00 H new ATOM 0 HB VAL A 31 89.878 -10.678 25.076 1.00 0.00 H new ATOM 0 HG11 VAL A 31 91.735 -11.516 26.491 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.819 -10.240 27.327 1.00 0.00 H new ATOM 0 HG13 VAL A 31 90.571 -11.946 27.766 1.00 0.00 H new ATOM 0 HG21 VAL A 31 90.565 -13.063 24.910 1.00 0.00 H new ATOM 0 HG22 VAL A 31 89.389 -13.487 26.177 1.00 0.00 H new ATOM 0 HG23 VAL A 31 88.822 -12.878 24.604 1.00 0.00 H new ATOM 487 N VAL A 32 88.600 -8.597 26.608 1.00 0.00 N ATOM 488 CA VAL A 32 88.746 -7.296 27.318 1.00 0.00 C ATOM 489 C VAL A 32 87.391 -6.851 27.870 1.00 0.00 C ATOM 490 O VAL A 32 87.292 -6.363 28.979 1.00 0.00 O ATOM 491 CB VAL A 32 89.283 -6.240 26.350 1.00 0.00 C ATOM 492 CG1 VAL A 32 89.290 -4.871 27.035 1.00 0.00 C ATOM 493 CG2 VAL A 32 90.710 -6.613 25.928 1.00 0.00 C ATOM 0 H VAL A 32 88.634 -8.544 25.590 1.00 0.00 H new ATOM 0 HA VAL A 32 89.446 -7.415 28.145 1.00 0.00 H new ATOM 0 HB VAL A 32 88.644 -6.197 25.468 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.673 -4.120 26.344 1.00 0.00 H new ATOM 0 HG12 VAL A 32 88.275 -4.607 27.331 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.927 -4.909 27.918 1.00 0.00 H new ATOM 0 HG21 VAL A 32 91.094 -5.861 25.238 1.00 0.00 H new ATOM 0 HG22 VAL A 32 91.350 -6.657 26.809 1.00 0.00 H new ATOM 0 HG23 VAL A 32 90.701 -7.586 25.436 1.00 0.00 H new ATOM 503 N ALA A 33 86.346 -7.011 27.107 1.00 0.00 N ATOM 504 CA ALA A 33 85.006 -6.589 27.595 1.00 0.00 C ATOM 505 C ALA A 33 84.666 -7.374 28.860 1.00 0.00 C ATOM 506 O ALA A 33 84.255 -6.817 29.858 1.00 0.00 O ATOM 507 CB ALA A 33 83.961 -6.863 26.512 1.00 0.00 C ATOM 0 H ALA A 33 86.362 -7.414 26.170 1.00 0.00 H new ATOM 0 HA ALA A 33 85.011 -5.523 27.822 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.978 -6.554 26.868 1.00 0.00 H new ATOM 0 HB2 ALA A 33 84.214 -6.302 25.612 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.945 -7.928 26.283 1.00 0.00 H new ATOM 513 N LYS A 34 84.843 -8.664 28.830 1.00 0.00 N ATOM 514 CA LYS A 34 84.544 -9.485 30.036 1.00 0.00 C ATOM 515 C LYS A 34 85.430 -9.016 31.193 1.00 0.00 C ATOM 516 O LYS A 34 85.006 -8.945 32.329 1.00 0.00 O ATOM 517 CB LYS A 34 84.846 -10.960 29.737 1.00 0.00 C ATOM 518 CG LYS A 34 83.830 -11.529 28.734 1.00 0.00 C ATOM 519 CD LYS A 34 82.518 -11.897 29.439 1.00 0.00 C ATOM 520 CE LYS A 34 81.594 -12.601 28.444 1.00 0.00 C ATOM 521 NZ LYS A 34 82.248 -13.846 27.950 1.00 0.00 N ATOM 0 H LYS A 34 85.182 -9.186 28.022 1.00 0.00 H new ATOM 0 HA LYS A 34 83.493 -9.374 30.304 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.855 -11.056 29.335 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.815 -11.537 30.661 1.00 0.00 H new ATOM 0 HG2 LYS A 34 83.635 -10.796 27.951 1.00 0.00 H new ATOM 0 HG3 LYS A 34 84.247 -12.411 28.248 1.00 0.00 H new ATOM 0 HD2 LYS A 34 82.719 -12.547 30.290 1.00 0.00 H new ATOM 0 HD3 LYS A 34 82.037 -11.000 29.829 1.00 0.00 H new ATOM 0 HE2 LYS A 34 80.644 -12.842 28.922 1.00 0.00 H new ATOM 0 HE3 LYS A 34 81.371 -11.939 27.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 81.521 -14.513 27.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 82.886 -13.614 27.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 82.794 -14.281 28.721 1.00 0.00 H new ATOM 535 N GLU A 35 86.668 -8.713 30.908 1.00 0.00 N ATOM 536 CA GLU A 35 87.600 -8.267 31.985 1.00 0.00 C ATOM 537 C GLU A 35 87.127 -6.941 32.580 1.00 0.00 C ATOM 538 O GLU A 35 87.185 -6.736 33.776 1.00 0.00 O ATOM 539 CB GLU A 35 89.001 -8.080 31.399 1.00 0.00 C ATOM 540 CG GLU A 35 90.008 -7.818 32.526 1.00 0.00 C ATOM 541 CD GLU A 35 89.910 -6.361 32.986 1.00 0.00 C ATOM 542 OE1 GLU A 35 90.124 -5.485 32.165 1.00 0.00 O ATOM 543 OE2 GLU A 35 89.624 -6.147 34.153 1.00 0.00 O ATOM 0 H GLU A 35 87.075 -8.755 29.974 1.00 0.00 H new ATOM 0 HA GLU A 35 87.620 -9.024 32.769 1.00 0.00 H new ATOM 0 HB2 GLU A 35 89.292 -8.969 30.839 1.00 0.00 H new ATOM 0 HB3 GLU A 35 89.003 -7.246 30.697 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.811 -8.487 33.364 1.00 0.00 H new ATOM 0 HG3 GLU A 35 91.019 -8.031 32.179 1.00 0.00 H new ATOM 550 N ILE A 36 86.655 -6.038 31.767 1.00 0.00 N ATOM 551 CA ILE A 36 86.181 -4.742 32.318 1.00 0.00 C ATOM 552 C ILE A 36 85.042 -5.039 33.286 1.00 0.00 C ATOM 553 O ILE A 36 84.953 -4.473 34.358 1.00 0.00 O ATOM 554 CB ILE A 36 85.703 -3.843 31.175 1.00 0.00 C ATOM 555 CG1 ILE A 36 86.914 -3.424 30.333 1.00 0.00 C ATOM 556 CG2 ILE A 36 85.029 -2.594 31.749 1.00 0.00 C ATOM 557 CD1 ILE A 36 86.439 -2.752 29.044 1.00 0.00 C ATOM 0 H ILE A 36 86.578 -6.141 30.755 1.00 0.00 H new ATOM 0 HA ILE A 36 86.984 -4.222 32.841 1.00 0.00 H new ATOM 0 HB ILE A 36 84.988 -4.385 30.556 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.544 -2.739 30.901 1.00 0.00 H new ATOM 0 HG13 ILE A 36 87.524 -4.296 30.096 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.690 -1.956 30.933 1.00 0.00 H new ATOM 0 HG22 ILE A 36 84.175 -2.889 32.358 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.742 -2.046 32.365 1.00 0.00 H new ATOM 0 HD11 ILE A 36 87.303 -2.456 28.449 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.827 -3.451 28.473 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.848 -1.870 29.290 1.00 0.00 H new ATOM 569 N VAL A 37 84.192 -5.962 32.933 1.00 0.00 N ATOM 570 CA VAL A 37 83.083 -6.349 33.842 1.00 0.00 C ATOM 571 C VAL A 37 83.697 -7.051 35.057 1.00 0.00 C ATOM 572 O VAL A 37 83.282 -6.860 36.183 1.00 0.00 O ATOM 573 CB VAL A 37 82.138 -7.307 33.109 1.00 0.00 C ATOM 574 CG1 VAL A 37 81.134 -7.909 34.098 1.00 0.00 C ATOM 575 CG2 VAL A 37 81.384 -6.540 32.020 1.00 0.00 C ATOM 0 H VAL A 37 84.220 -6.467 32.047 1.00 0.00 H new ATOM 0 HA VAL A 37 82.518 -5.472 34.158 1.00 0.00 H new ATOM 0 HB VAL A 37 82.720 -8.111 32.657 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.466 -8.589 33.570 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.670 -8.457 34.873 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.551 -7.110 34.556 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.711 -7.219 31.497 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.806 -5.735 32.475 1.00 0.00 H new ATOM 0 HG23 VAL A 37 82.097 -6.119 31.312 1.00 0.00 H new ATOM 585 N ALA A 38 84.689 -7.867 34.820 1.00 0.00 N ATOM 586 CA ALA A 38 85.356 -8.598 35.934 1.00 0.00 C ATOM 587 C ALA A 38 85.918 -7.593 36.944 1.00 0.00 C ATOM 588 O ALA A 38 86.194 -7.931 38.078 1.00 0.00 O ATOM 589 CB ALA A 38 86.495 -9.454 35.366 1.00 0.00 C ATOM 0 H ALA A 38 85.069 -8.059 33.893 1.00 0.00 H new ATOM 0 HA ALA A 38 84.633 -9.241 36.435 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.986 -9.991 36.178 1.00 0.00 H new ATOM 0 HB2 ALA A 38 86.090 -10.170 34.650 1.00 0.00 H new ATOM 0 HB3 ALA A 38 87.219 -8.811 34.866 1.00 0.00 H new ATOM 595 N SER A 39 86.089 -6.360 36.543 1.00 0.00 N ATOM 596 CA SER A 39 86.634 -5.338 37.484 1.00 0.00 C ATOM 597 C SER A 39 85.468 -4.639 38.178 1.00 0.00 C ATOM 598 O SER A 39 85.454 -4.477 39.382 1.00 0.00 O ATOM 599 CB SER A 39 87.449 -4.309 36.698 1.00 0.00 C ATOM 600 OG SER A 39 88.611 -4.934 36.170 1.00 0.00 O ATOM 0 H SER A 39 85.875 -6.018 35.606 1.00 0.00 H new ATOM 0 HA SER A 39 87.275 -5.817 38.225 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.848 -3.892 35.890 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.731 -3.479 37.346 1.00 0.00 H new ATOM 0 HG SER A 39 88.410 -5.302 35.284 1.00 0.00 H new ATOM 606 N CYS A 40 84.481 -4.241 37.430 1.00 0.00 N ATOM 607 CA CYS A 40 83.303 -3.575 38.046 1.00 0.00 C ATOM 608 C CYS A 40 82.664 -4.544 39.047 1.00 0.00 C ATOM 609 O CYS A 40 82.376 -5.679 38.723 1.00 0.00 O ATOM 610 CB CYS A 40 82.297 -3.223 36.951 1.00 0.00 C ATOM 611 SG CYS A 40 81.030 -2.118 37.619 1.00 0.00 S ATOM 0 H CYS A 40 84.439 -4.348 36.417 1.00 0.00 H new ATOM 0 HA CYS A 40 83.607 -2.663 38.559 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.807 -2.744 36.115 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.834 -4.131 36.564 1.00 0.00 H new ATOM 616 N ASP A 41 82.444 -4.115 40.259 1.00 0.00 N ATOM 617 CA ASP A 41 81.832 -5.027 41.270 1.00 0.00 C ATOM 618 C ASP A 41 80.315 -5.102 41.074 1.00 0.00 C ATOM 619 O ASP A 41 79.684 -6.070 41.444 1.00 0.00 O ATOM 620 CB ASP A 41 82.135 -4.508 42.677 1.00 0.00 C ATOM 621 CG ASP A 41 83.623 -4.691 42.981 1.00 0.00 C ATOM 622 OD1 ASP A 41 84.236 -5.539 42.352 1.00 0.00 O ATOM 623 OD2 ASP A 41 84.124 -3.981 43.836 1.00 0.00 O ATOM 0 H ASP A 41 82.660 -3.176 40.594 1.00 0.00 H new ATOM 0 HA ASP A 41 82.255 -6.024 41.144 1.00 0.00 H new ATOM 0 HB2 ASP A 41 81.865 -3.455 42.753 1.00 0.00 H new ATOM 0 HB3 ASP A 41 81.535 -5.045 43.411 1.00 0.00 H new ATOM 628 N LYS A 42 79.719 -4.085 40.516 1.00 0.00 N ATOM 629 CA LYS A 42 78.240 -4.109 40.327 1.00 0.00 C ATOM 630 C LYS A 42 77.871 -5.053 39.178 1.00 0.00 C ATOM 631 O LYS A 42 76.946 -5.834 39.280 1.00 0.00 O ATOM 632 CB LYS A 42 77.749 -2.700 39.982 1.00 0.00 C ATOM 633 CG LYS A 42 78.100 -1.723 41.113 1.00 0.00 C ATOM 634 CD LYS A 42 77.253 -2.012 42.360 1.00 0.00 C ATOM 635 CE LYS A 42 77.264 -0.786 43.279 1.00 0.00 C ATOM 636 NZ LYS A 42 76.664 0.375 42.562 1.00 0.00 N ATOM 0 H LYS A 42 80.188 -3.242 40.184 1.00 0.00 H new ATOM 0 HA LYS A 42 77.773 -4.457 41.248 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.205 -2.367 39.050 1.00 0.00 H new ATOM 0 HB3 LYS A 42 76.671 -2.712 39.824 1.00 0.00 H new ATOM 0 HG2 LYS A 42 79.159 -1.808 41.358 1.00 0.00 H new ATOM 0 HG3 LYS A 42 77.931 -0.699 40.781 1.00 0.00 H new ATOM 0 HD2 LYS A 42 76.230 -2.254 42.070 1.00 0.00 H new ATOM 0 HD3 LYS A 42 77.648 -2.880 42.888 1.00 0.00 H new ATOM 0 HE2 LYS A 42 76.702 -0.995 44.189 1.00 0.00 H new ATOM 0 HE3 LYS A 42 78.285 -0.553 43.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 76.253 1.035 43.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 77.401 0.863 42.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 75.919 0.039 41.919 1.00 0.00 H new ATOM 650 N CYS A 43 78.577 -4.980 38.082 1.00 0.00 N ATOM 651 CA CYS A 43 78.251 -5.864 36.926 1.00 0.00 C ATOM 652 C CYS A 43 78.815 -7.270 37.154 1.00 0.00 C ATOM 653 O CYS A 43 78.312 -8.239 36.620 1.00 0.00 O ATOM 654 CB CYS A 43 78.843 -5.273 35.646 1.00 0.00 C ATOM 655 SG CYS A 43 77.981 -3.734 35.238 1.00 0.00 S ATOM 0 H CYS A 43 79.364 -4.348 37.937 1.00 0.00 H new ATOM 0 HA CYS A 43 77.167 -5.932 36.829 1.00 0.00 H new ATOM 0 HB2 CYS A 43 79.908 -5.082 35.779 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.747 -5.985 34.826 1.00 0.00 H new ATOM 660 N GLN A 44 79.858 -7.398 37.931 1.00 0.00 N ATOM 661 CA GLN A 44 80.437 -8.752 38.168 1.00 0.00 C ATOM 662 C GLN A 44 79.535 -9.533 39.123 1.00 0.00 C ATOM 663 O GLN A 44 78.945 -10.532 38.759 1.00 0.00 O ATOM 664 CB GLN A 44 81.831 -8.614 38.787 1.00 0.00 C ATOM 665 CG GLN A 44 82.482 -9.995 38.894 1.00 0.00 C ATOM 666 CD GLN A 44 83.893 -9.852 39.465 1.00 0.00 C ATOM 667 OE1 GLN A 44 84.414 -8.661 39.590 1.00 0.00 O flip ATOM 668 NE2 GLN A 44 84.527 -10.831 39.804 1.00 0.00 N flip ATOM 0 H GLN A 44 80.331 -6.630 38.408 1.00 0.00 H new ATOM 0 HA GLN A 44 80.511 -9.283 37.219 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.448 -7.956 38.176 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.759 -8.157 39.774 1.00 0.00 H new ATOM 0 HG2 GLN A 44 81.883 -10.642 39.535 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.522 -10.467 37.912 1.00 0.00 H new ATOM 0 HE21 GLN A 44 84.120 -11.761 39.706 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.466 -10.723 40.186 1.00 0.00 H new ATOM 677 N LEU A 45 79.418 -9.083 40.340 1.00 0.00 N ATOM 678 CA LEU A 45 78.550 -9.793 41.322 1.00 0.00 C ATOM 679 C LEU A 45 77.115 -9.282 41.177 1.00 0.00 C ATOM 680 O LEU A 45 76.848 -8.104 41.320 1.00 0.00 O ATOM 681 CB LEU A 45 79.046 -9.507 42.742 1.00 0.00 C ATOM 682 CG LEU A 45 80.523 -9.901 42.877 1.00 0.00 C ATOM 683 CD1 LEU A 45 81.004 -9.558 44.290 1.00 0.00 C ATOM 684 CD2 LEU A 45 80.695 -11.408 42.628 1.00 0.00 C ATOM 0 H LEU A 45 79.887 -8.252 40.699 1.00 0.00 H new ATOM 0 HA LEU A 45 78.584 -10.866 41.135 1.00 0.00 H new ATOM 0 HB2 LEU A 45 78.922 -8.449 42.972 1.00 0.00 H new ATOM 0 HB3 LEU A 45 78.447 -10.063 43.463 1.00 0.00 H new ATOM 0 HG LEU A 45 81.111 -9.354 42.140 1.00 0.00 H new ATOM 0 HD11 LEU A 45 82.053 -9.835 44.394 1.00 0.00 H new ATOM 0 HD12 LEU A 45 80.892 -8.488 44.463 1.00 0.00 H new ATOM 0 HD13 LEU A 45 80.409 -10.107 45.020 1.00 0.00 H new ATOM 0 HD21 LEU A 45 81.747 -11.675 42.727 1.00 0.00 H new ATOM 0 HD22 LEU A 45 80.109 -11.967 43.358 1.00 0.00 H new ATOM 0 HD23 LEU A 45 80.351 -11.652 41.623 1.00 0.00 H new ATOM 696 N LYS A 46 76.191 -10.156 40.891 1.00 0.00 N ATOM 697 CA LYS A 46 74.774 -9.722 40.734 1.00 0.00 C ATOM 698 C LYS A 46 74.108 -9.626 42.109 1.00 0.00 C ATOM 699 O LYS A 46 73.746 -10.623 42.700 1.00 0.00 O ATOM 700 CB LYS A 46 74.032 -10.754 39.883 1.00 0.00 C ATOM 701 CG LYS A 46 74.528 -10.683 38.437 1.00 0.00 C ATOM 702 CD LYS A 46 73.779 -11.719 37.595 1.00 0.00 C ATOM 703 CE LYS A 46 74.257 -11.660 36.143 1.00 0.00 C ATOM 704 NZ LYS A 46 73.245 -12.315 35.266 1.00 0.00 N ATOM 0 H LYS A 46 76.356 -11.154 40.759 1.00 0.00 H new ATOM 0 HA LYS A 46 74.741 -8.746 40.251 1.00 0.00 H new ATOM 0 HB2 LYS A 46 74.194 -11.754 40.284 1.00 0.00 H new ATOM 0 HB3 LYS A 46 72.959 -10.566 39.919 1.00 0.00 H new ATOM 0 HG2 LYS A 46 74.366 -9.683 38.033 1.00 0.00 H new ATOM 0 HG3 LYS A 46 75.601 -10.873 38.398 1.00 0.00 H new ATOM 0 HD2 LYS A 46 73.945 -12.717 38.000 1.00 0.00 H new ATOM 0 HD3 LYS A 46 72.706 -11.530 37.641 1.00 0.00 H new ATOM 0 HE2 LYS A 46 74.404 -10.624 35.838 1.00 0.00 H new ATOM 0 HE3 LYS A 46 75.220 -12.161 36.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 73.566 -12.277 34.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 73.126 -13.307 35.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 72.336 -11.818 35.354 1.00 0.00 H new ATOM 718 N GLY A 47 73.937 -8.435 42.618 1.00 0.00 N ATOM 719 CA GLY A 47 73.287 -8.275 43.954 1.00 0.00 C ATOM 720 C GLY A 47 73.870 -9.289 44.942 1.00 0.00 C ATOM 721 O GLY A 47 75.035 -9.625 44.885 1.00 0.00 O ATOM 0 H GLY A 47 74.219 -7.565 42.167 1.00 0.00 H new ATOM 0 HA2 GLY A 47 73.443 -7.262 44.325 1.00 0.00 H new ATOM 0 HA3 GLY A 47 72.210 -8.420 43.864 1.00 0.00 H new ATOM 725 N GLU A 48 73.062 -9.783 45.843 1.00 0.00 N ATOM 726 CA GLU A 48 73.558 -10.783 46.832 1.00 0.00 C ATOM 727 C GLU A 48 73.471 -12.181 46.211 1.00 0.00 C ATOM 728 O GLU A 48 72.519 -12.505 45.529 1.00 0.00 O ATOM 729 CB GLU A 48 72.694 -10.714 48.095 1.00 0.00 C ATOM 730 CG GLU A 48 73.256 -11.659 49.159 1.00 0.00 C ATOM 731 CD GLU A 48 72.442 -11.517 50.446 1.00 0.00 C ATOM 732 OE1 GLU A 48 71.613 -10.624 50.503 1.00 0.00 O ATOM 733 OE2 GLU A 48 72.662 -12.301 51.354 1.00 0.00 O ATOM 0 H GLU A 48 72.077 -9.536 45.936 1.00 0.00 H new ATOM 0 HA GLU A 48 74.593 -10.569 47.097 1.00 0.00 H new ATOM 0 HB2 GLU A 48 72.672 -9.693 48.477 1.00 0.00 H new ATOM 0 HB3 GLU A 48 71.666 -10.988 47.859 1.00 0.00 H new ATOM 0 HG2 GLU A 48 73.218 -12.689 48.803 1.00 0.00 H new ATOM 0 HG3 GLU A 48 74.304 -11.427 49.351 1.00 0.00 H new ATOM 740 N ALA A 49 74.458 -13.006 46.427 1.00 0.00 N ATOM 741 CA ALA A 49 74.425 -14.374 45.832 1.00 0.00 C ATOM 742 C ALA A 49 73.328 -15.202 46.502 1.00 0.00 C ATOM 743 O ALA A 49 72.231 -15.322 45.994 1.00 0.00 O ATOM 744 CB ALA A 49 75.779 -15.055 46.047 1.00 0.00 C ATOM 0 H ALA A 49 75.284 -12.794 46.987 1.00 0.00 H new ATOM 0 HA ALA A 49 74.218 -14.298 44.764 1.00 0.00 H new ATOM 0 HB1 ALA A 49 75.757 -16.055 45.613 1.00 0.00 H new ATOM 0 HB2 ALA A 49 76.562 -14.468 45.566 1.00 0.00 H new ATOM 0 HB3 ALA A 49 75.984 -15.128 47.115 1.00 0.00 H new ATOM 750 N MET A 50 73.610 -15.772 47.639 1.00 0.00 N ATOM 751 CA MET A 50 72.577 -16.585 48.340 1.00 0.00 C ATOM 752 C MET A 50 72.054 -17.670 47.388 1.00 0.00 C ATOM 753 O MET A 50 71.063 -18.319 47.656 1.00 0.00 O ATOM 754 CB MET A 50 71.417 -15.669 48.762 1.00 0.00 C ATOM 755 CG MET A 50 70.607 -16.329 49.882 1.00 0.00 C ATOM 756 SD MET A 50 69.218 -15.260 50.330 1.00 0.00 S ATOM 757 CE MET A 50 68.521 -16.326 51.616 1.00 0.00 C ATOM 0 H MET A 50 74.511 -15.711 48.114 1.00 0.00 H new ATOM 0 HA MET A 50 73.011 -17.055 49.222 1.00 0.00 H new ATOM 0 HB2 MET A 50 71.806 -14.709 49.101 1.00 0.00 H new ATOM 0 HB3 MET A 50 70.772 -15.468 47.906 1.00 0.00 H new ATOM 0 HG2 MET A 50 70.240 -17.302 49.556 1.00 0.00 H new ATOM 0 HG3 MET A 50 71.242 -16.502 50.751 1.00 0.00 H new ATOM 0 HE1 MET A 50 67.635 -15.853 52.040 1.00 0.00 H new ATOM 0 HE2 MET A 50 68.247 -17.288 51.182 1.00 0.00 H new ATOM 0 HE3 MET A 50 69.261 -16.480 52.401 1.00 0.00 H new ATOM 767 N HIS A 51 72.701 -17.871 46.271 1.00 0.00 N ATOM 768 CA HIS A 51 72.218 -18.910 45.311 1.00 0.00 C ATOM 769 C HIS A 51 73.404 -19.427 44.485 1.00 0.00 C ATOM 770 O HIS A 51 74.455 -18.819 44.446 1.00 0.00 O ATOM 771 CB HIS A 51 71.162 -18.270 44.387 1.00 0.00 C ATOM 772 CG HIS A 51 70.156 -19.291 43.905 1.00 0.00 C ATOM 773 ND1 HIS A 51 69.028 -18.914 43.187 1.00 0.00 N ATOM 774 CD2 HIS A 51 70.078 -20.662 44.025 1.00 0.00 C ATOM 775 CE1 HIS A 51 68.330 -20.030 42.907 1.00 0.00 C ATOM 776 NE2 HIS A 51 68.926 -21.117 43.394 1.00 0.00 N ATOM 0 H HIS A 51 73.538 -17.365 45.982 1.00 0.00 H new ATOM 0 HA HIS A 51 71.773 -19.748 45.847 1.00 0.00 H new ATOM 0 HB2 HIS A 51 70.645 -17.472 44.921 1.00 0.00 H new ATOM 0 HB3 HIS A 51 71.656 -17.812 43.530 1.00 0.00 H new ATOM 0 HD2 HIS A 51 70.800 -21.286 44.531 1.00 0.00 H new ATOM 0 HE1 HIS A 51 67.401 -20.043 42.356 1.00 0.00 H new ATOM 0 HE2 HIS A 51 68.604 -22.082 43.319 1.00 0.00 H new ATOM 785 N GLY A 52 73.248 -20.543 43.825 1.00 0.00 N ATOM 786 CA GLY A 52 74.372 -21.086 43.007 1.00 0.00 C ATOM 787 C GLY A 52 73.957 -22.412 42.362 1.00 0.00 C ATOM 788 O GLY A 52 74.480 -23.459 42.688 1.00 0.00 O ATOM 0 H GLY A 52 72.394 -21.101 43.816 1.00 0.00 H new ATOM 0 HA2 GLY A 52 74.651 -20.368 42.235 1.00 0.00 H new ATOM 0 HA3 GLY A 52 75.250 -21.237 43.635 1.00 0.00 H new ATOM 792 N GLN A 53 73.027 -22.377 41.444 1.00 0.00 N ATOM 793 CA GLN A 53 72.592 -23.639 40.773 1.00 0.00 C ATOM 794 C GLN A 53 73.535 -23.939 39.607 1.00 0.00 C ATOM 795 O GLN A 53 73.895 -23.061 38.848 1.00 0.00 O ATOM 796 CB GLN A 53 71.165 -23.479 40.243 1.00 0.00 C ATOM 797 CG GLN A 53 70.184 -23.381 41.415 1.00 0.00 C ATOM 798 CD GLN A 53 70.145 -24.711 42.171 1.00 0.00 C ATOM 799 OE1 GLN A 53 69.968 -25.757 41.578 1.00 0.00 O ATOM 800 NE2 GLN A 53 70.310 -24.716 43.467 1.00 0.00 N ATOM 0 H GLN A 53 72.550 -21.532 41.130 1.00 0.00 H new ATOM 0 HA GLN A 53 72.619 -24.459 41.491 1.00 0.00 H new ATOM 0 HB2 GLN A 53 71.096 -22.585 39.623 1.00 0.00 H new ATOM 0 HB3 GLN A 53 70.905 -24.327 39.609 1.00 0.00 H new ATOM 0 HG2 GLN A 53 70.486 -22.578 42.088 1.00 0.00 H new ATOM 0 HG3 GLN A 53 69.188 -23.131 41.048 1.00 0.00 H new ATOM 0 HE21 GLN A 53 70.459 -23.839 43.966 1.00 0.00 H new ATOM 0 HE22 GLN A 53 70.290 -25.597 43.980 1.00 0.00 H new ATOM 809 N VAL A 54 73.934 -25.176 39.460 1.00 0.00 N ATOM 810 CA VAL A 54 74.856 -25.559 38.344 1.00 0.00 C ATOM 811 C VAL A 54 74.080 -26.341 37.282 1.00 0.00 C ATOM 812 O VAL A 54 73.326 -27.243 37.591 1.00 0.00 O ATOM 813 CB VAL A 54 75.981 -26.435 38.900 1.00 0.00 C ATOM 814 CG1 VAL A 54 76.781 -25.644 39.940 1.00 0.00 C ATOM 815 CG2 VAL A 54 75.378 -27.682 39.555 1.00 0.00 C ATOM 0 H VAL A 54 73.659 -25.946 40.070 1.00 0.00 H new ATOM 0 HA VAL A 54 75.277 -24.660 37.894 1.00 0.00 H new ATOM 0 HB VAL A 54 76.644 -26.735 38.088 1.00 0.00 H new ATOM 0 HG11 VAL A 54 77.582 -26.269 40.335 1.00 0.00 H new ATOM 0 HG12 VAL A 54 77.210 -24.758 39.472 1.00 0.00 H new ATOM 0 HG13 VAL A 54 76.121 -25.342 40.754 1.00 0.00 H new ATOM 0 HG21 VAL A 54 76.178 -28.307 39.952 1.00 0.00 H new ATOM 0 HG22 VAL A 54 74.715 -27.382 40.367 1.00 0.00 H new ATOM 0 HG23 VAL A 54 74.811 -28.245 38.813 1.00 0.00 H new ATOM 825 N ASP A 55 74.260 -26.007 36.032 1.00 0.00 N ATOM 826 CA ASP A 55 73.535 -26.737 34.948 1.00 0.00 C ATOM 827 C ASP A 55 74.377 -26.712 33.671 1.00 0.00 C ATOM 828 O ASP A 55 74.921 -27.746 33.322 1.00 0.00 O ATOM 829 CB ASP A 55 72.188 -26.062 34.681 1.00 0.00 C ATOM 830 CG ASP A 55 71.329 -26.970 33.802 1.00 0.00 C ATOM 831 OD1 ASP A 55 71.879 -27.894 33.226 1.00 0.00 O ATOM 832 OD2 ASP A 55 70.135 -26.730 33.722 1.00 0.00 O ATOM 833 OXT ASP A 55 74.463 -25.657 33.062 1.00 0.00 O ATOM 0 H ASP A 55 74.878 -25.260 35.713 1.00 0.00 H new ATOM 0 HA ASP A 55 73.366 -27.768 35.258 1.00 0.00 H new ATOM 0 HB2 ASP A 55 71.677 -25.860 35.623 1.00 0.00 H new ATOM 0 HB3 ASP A 55 72.342 -25.101 34.189 1.00 0.00 H new TER 838 ASP A 55 ATOM 839 N PHE B 1 95.979 -11.453 22.816 1.00 0.00 N ATOM 840 CA PHE B 1 95.081 -12.616 23.064 1.00 0.00 C ATOM 841 C PHE B 1 95.690 -13.864 22.426 1.00 0.00 C ATOM 842 O PHE B 1 95.688 -14.027 21.222 1.00 0.00 O ATOM 843 CB PHE B 1 93.706 -12.326 22.461 1.00 0.00 C ATOM 844 CG PHE B 1 93.334 -10.889 22.755 1.00 0.00 C ATOM 845 CD1 PHE B 1 93.068 -10.493 24.071 1.00 0.00 C ATOM 846 CD2 PHE B 1 93.270 -9.948 21.716 1.00 0.00 C ATOM 847 CE1 PHE B 1 92.735 -9.164 24.351 1.00 0.00 C ATOM 848 CE2 PHE B 1 92.936 -8.616 21.997 1.00 0.00 C ATOM 849 CZ PHE B 1 92.670 -8.225 23.314 1.00 0.00 C ATOM 0 H1 PHE B 1 95.407 -10.595 22.681 1.00 0.00 H new ATOM 0 H2 PHE B 1 96.612 -11.323 23.631 1.00 0.00 H new ATOM 0 H3 PHE B 1 96.546 -11.628 21.962 1.00 0.00 H new ATOM 0 HA PHE B 1 94.969 -12.784 24.135 1.00 0.00 H new ATOM 0 HB2 PHE B 1 93.723 -12.498 21.385 1.00 0.00 H new ATOM 0 HB3 PHE B 1 92.961 -13.002 22.880 1.00 0.00 H new ATOM 0 HD1 PHE B 1 93.120 -11.216 24.872 1.00 0.00 H new ATOM 0 HD2 PHE B 1 93.478 -10.250 20.700 1.00 0.00 H new ATOM 0 HE1 PHE B 1 92.528 -8.862 25.367 1.00 0.00 H new ATOM 0 HE2 PHE B 1 92.884 -7.892 21.197 1.00 0.00 H new ATOM 0 HZ PHE B 1 92.414 -7.198 23.531 1.00 0.00 H new ATOM 861 N LEU B 2 96.230 -14.739 23.234 1.00 0.00 N ATOM 862 CA LEU B 2 96.870 -15.978 22.695 1.00 0.00 C ATOM 863 C LEU B 2 95.927 -17.169 22.808 1.00 0.00 C ATOM 864 O LEU B 2 95.251 -17.350 23.793 1.00 0.00 O ATOM 865 CB LEU B 2 98.143 -16.281 23.491 1.00 0.00 C ATOM 866 CG LEU B 2 99.135 -15.115 23.379 1.00 0.00 C ATOM 867 CD1 LEU B 2 100.380 -15.439 24.213 1.00 0.00 C ATOM 868 CD2 LEU B 2 99.538 -14.901 21.908 1.00 0.00 C ATOM 0 H LEU B 2 96.256 -14.649 24.250 1.00 0.00 H new ATOM 0 HA LEU B 2 97.108 -15.812 21.644 1.00 0.00 H new ATOM 0 HB2 LEU B 2 97.892 -16.454 24.538 1.00 0.00 H new ATOM 0 HB3 LEU B 2 98.604 -17.196 23.118 1.00 0.00 H new ATOM 0 HG LEU B 2 98.667 -14.203 23.750 1.00 0.00 H new ATOM 0 HD11 LEU B 2 101.091 -14.616 24.140 1.00 0.00 H new ATOM 0 HD12 LEU B 2 100.093 -15.579 25.255 1.00 0.00 H new ATOM 0 HD13 LEU B 2 100.842 -16.352 23.838 1.00 0.00 H new ATOM 0 HD21 LEU B 2 100.242 -14.071 21.841 1.00 0.00 H new ATOM 0 HD22 LEU B 2 100.007 -15.807 21.524 1.00 0.00 H new ATOM 0 HD23 LEU B 2 98.651 -14.673 21.317 1.00 0.00 H new ATOM 880 N ASP B 3 95.906 -18.000 21.807 1.00 0.00 N ATOM 881 CA ASP B 3 95.034 -19.202 21.860 1.00 0.00 C ATOM 882 C ASP B 3 95.455 -20.052 23.057 1.00 0.00 C ATOM 883 O ASP B 3 94.633 -20.597 23.767 1.00 0.00 O ATOM 884 CB ASP B 3 95.176 -20.010 20.568 1.00 0.00 C ATOM 885 CG ASP B 3 94.507 -19.254 19.418 1.00 0.00 C ATOM 886 OD1 ASP B 3 93.692 -18.391 19.699 1.00 0.00 O ATOM 887 OD2 ASP B 3 94.814 -19.558 18.277 1.00 0.00 O ATOM 0 H ASP B 3 96.456 -17.899 20.954 1.00 0.00 H new ATOM 0 HA ASP B 3 93.992 -18.901 21.965 1.00 0.00 H new ATOM 0 HB2 ASP B 3 96.230 -20.176 20.344 1.00 0.00 H new ATOM 0 HB3 ASP B 3 94.717 -20.991 20.688 1.00 0.00 H new ATOM 892 N GLY B 4 96.738 -20.159 23.294 1.00 0.00 N ATOM 893 CA GLY B 4 97.221 -20.961 24.457 1.00 0.00 C ATOM 894 C GLY B 4 96.436 -20.561 25.708 1.00 0.00 C ATOM 895 O GLY B 4 96.477 -21.231 26.721 1.00 0.00 O ATOM 0 H GLY B 4 97.471 -19.726 22.732 1.00 0.00 H new ATOM 0 HA2 GLY B 4 97.093 -22.025 24.258 1.00 0.00 H new ATOM 0 HA3 GLY B 4 98.286 -20.792 24.613 1.00 0.00 H new ATOM 899 N ILE B 5 95.705 -19.482 25.636 1.00 0.00 N ATOM 900 CA ILE B 5 94.895 -19.042 26.804 1.00 0.00 C ATOM 901 C ILE B 5 93.900 -20.152 27.156 1.00 0.00 C ATOM 902 O ILE B 5 93.603 -20.392 28.310 1.00 0.00 O ATOM 903 CB ILE B 5 94.159 -17.739 26.451 1.00 0.00 C ATOM 904 CG1 ILE B 5 95.152 -16.572 26.482 1.00 0.00 C ATOM 905 CG2 ILE B 5 93.030 -17.477 27.456 1.00 0.00 C ATOM 906 CD1 ILE B 5 94.511 -15.337 25.845 1.00 0.00 C ATOM 0 H ILE B 5 95.635 -18.884 24.813 1.00 0.00 H new ATOM 0 HA ILE B 5 95.536 -18.852 27.665 1.00 0.00 H new ATOM 0 HB ILE B 5 93.729 -17.832 25.454 1.00 0.00 H new ATOM 0 HG12 ILE B 5 95.442 -16.355 27.510 1.00 0.00 H new ATOM 0 HG13 ILE B 5 96.061 -16.841 25.945 1.00 0.00 H new ATOM 0 HG21 ILE B 5 92.517 -16.551 27.194 1.00 0.00 H new ATOM 0 HG22 ILE B 5 92.321 -18.304 27.430 1.00 0.00 H new ATOM 0 HG23 ILE B 5 93.449 -17.389 28.459 1.00 0.00 H new ATOM 0 HD11 ILE B 5 95.218 -14.508 25.868 1.00 0.00 H new ATOM 0 HD12 ILE B 5 94.244 -15.558 24.812 1.00 0.00 H new ATOM 0 HD13 ILE B 5 93.614 -15.065 26.401 1.00 0.00 H new ATOM 918 N ASP B 6 93.392 -20.836 26.170 1.00 0.00 N ATOM 919 CA ASP B 6 92.428 -21.935 26.449 1.00 0.00 C ATOM 920 C ASP B 6 93.130 -22.973 27.327 1.00 0.00 C ATOM 921 O ASP B 6 92.559 -23.508 28.257 1.00 0.00 O ATOM 922 CB ASP B 6 91.988 -22.576 25.132 1.00 0.00 C ATOM 923 CG ASP B 6 91.113 -21.591 24.357 1.00 0.00 C ATOM 924 OD1 ASP B 6 90.619 -20.659 24.969 1.00 0.00 O ATOM 925 OD2 ASP B 6 90.965 -21.776 23.160 1.00 0.00 O ATOM 0 H ASP B 6 93.602 -20.682 25.184 1.00 0.00 H new ATOM 0 HA ASP B 6 91.546 -21.548 26.960 1.00 0.00 H new ATOM 0 HB2 ASP B 6 92.860 -22.850 24.539 1.00 0.00 H new ATOM 0 HB3 ASP B 6 91.435 -23.495 25.328 1.00 0.00 H new ATOM 930 N LYS B 7 94.375 -23.242 27.047 1.00 0.00 N ATOM 931 CA LYS B 7 95.136 -24.221 27.873 1.00 0.00 C ATOM 932 C LYS B 7 95.235 -23.674 29.298 1.00 0.00 C ATOM 933 O LYS B 7 95.130 -24.399 30.267 1.00 0.00 O ATOM 934 CB LYS B 7 96.544 -24.395 27.292 1.00 0.00 C ATOM 935 CG LYS B 7 97.298 -25.476 28.076 1.00 0.00 C ATOM 936 CD LYS B 7 98.724 -25.620 27.525 1.00 0.00 C ATOM 937 CE LYS B 7 98.701 -26.286 26.142 1.00 0.00 C ATOM 938 NZ LYS B 7 100.049 -26.845 25.841 1.00 0.00 N ATOM 0 H LYS B 7 94.900 -22.824 26.279 1.00 0.00 H new ATOM 0 HA LYS B 7 94.630 -25.186 27.875 1.00 0.00 H new ATOM 0 HB2 LYS B 7 96.482 -24.672 26.240 1.00 0.00 H new ATOM 0 HB3 LYS B 7 97.087 -23.451 27.341 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.332 -25.214 29.134 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.771 -26.427 28.000 1.00 0.00 H new ATOM 0 HD2 LYS B 7 99.194 -24.639 27.455 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.327 -26.214 28.211 1.00 0.00 H new ATOM 0 HE2 LYS B 7 97.953 -27.079 26.120 1.00 0.00 H new ATOM 0 HE3 LYS B 7 98.418 -25.559 25.381 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 100.036 -27.297 24.904 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 100.752 -26.078 25.846 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 100.301 -27.550 26.562 1.00 0.00 H new ATOM 952 N ALA B 8 95.436 -22.391 29.423 1.00 0.00 N ATOM 953 CA ALA B 8 95.545 -21.771 30.773 1.00 0.00 C ATOM 954 C ALA B 8 94.252 -22.010 31.557 1.00 0.00 C ATOM 955 O ALA B 8 94.275 -22.228 32.752 1.00 0.00 O ATOM 956 CB ALA B 8 95.773 -20.264 30.619 1.00 0.00 C ATOM 0 H ALA B 8 95.530 -21.741 28.642 1.00 0.00 H new ATOM 0 HA ALA B 8 96.381 -22.218 31.311 1.00 0.00 H new ATOM 0 HB1 ALA B 8 95.853 -19.806 31.605 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.694 -20.090 30.062 1.00 0.00 H new ATOM 0 HB3 ALA B 8 94.934 -19.822 30.081 1.00 0.00 H new ATOM 962 N GLN B 9 93.124 -21.966 30.901 1.00 0.00 N ATOM 963 CA GLN B 9 91.839 -22.187 31.623 1.00 0.00 C ATOM 964 C GLN B 9 91.853 -23.581 32.258 1.00 0.00 C ATOM 965 O GLN B 9 91.434 -23.768 33.382 1.00 0.00 O ATOM 966 CB GLN B 9 90.678 -22.098 30.628 1.00 0.00 C ATOM 967 CG GLN B 9 90.515 -20.649 30.165 1.00 0.00 C ATOM 968 CD GLN B 9 89.398 -20.559 29.125 1.00 0.00 C ATOM 969 OE1 GLN B 9 89.023 -21.550 28.529 1.00 0.00 O ATOM 970 NE2 GLN B 9 88.848 -19.402 28.878 1.00 0.00 N ATOM 0 H GLN B 9 93.037 -21.787 29.901 1.00 0.00 H new ATOM 0 HA GLN B 9 91.717 -21.430 32.397 1.00 0.00 H new ATOM 0 HB2 GLN B 9 90.868 -22.746 29.772 1.00 0.00 H new ATOM 0 HB3 GLN B 9 89.757 -22.448 31.095 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.283 -20.010 31.017 1.00 0.00 H new ATOM 0 HG3 GLN B 9 91.451 -20.286 29.739 1.00 0.00 H new ATOM 0 HE21 GLN B 9 89.163 -18.571 29.378 1.00 0.00 H new ATOM 0 HE22 GLN B 9 88.103 -19.329 28.185 1.00 0.00 H new ATOM 979 N GLU B 10 92.342 -24.556 31.544 1.00 0.00 N ATOM 980 CA GLU B 10 92.399 -25.940 32.094 1.00 0.00 C ATOM 981 C GLU B 10 93.291 -25.975 33.337 1.00 0.00 C ATOM 982 O GLU B 10 93.005 -26.661 34.299 1.00 0.00 O ATOM 983 CB GLU B 10 92.970 -26.886 31.036 1.00 0.00 C ATOM 984 CG GLU B 10 91.956 -27.060 29.904 1.00 0.00 C ATOM 985 CD GLU B 10 92.599 -27.843 28.760 1.00 0.00 C ATOM 986 OE1 GLU B 10 93.746 -28.230 28.905 1.00 0.00 O ATOM 987 OE2 GLU B 10 91.934 -28.038 27.755 1.00 0.00 O ATOM 0 H GLU B 10 92.707 -24.453 30.597 1.00 0.00 H new ATOM 0 HA GLU B 10 91.392 -26.255 32.367 1.00 0.00 H new ATOM 0 HB2 GLU B 10 93.905 -26.486 30.643 1.00 0.00 H new ATOM 0 HB3 GLU B 10 93.200 -27.853 31.484 1.00 0.00 H new ATOM 0 HG2 GLU B 10 91.074 -27.587 30.269 1.00 0.00 H new ATOM 0 HG3 GLU B 10 91.621 -26.086 29.549 1.00 0.00 H new ATOM 994 N GLU B 11 94.387 -25.265 33.311 1.00 0.00 N ATOM 995 CA GLU B 11 95.324 -25.278 34.475 1.00 0.00 C ATOM 996 C GLU B 11 94.971 -24.162 35.462 1.00 0.00 C ATOM 997 O GLU B 11 95.633 -23.982 36.464 1.00 0.00 O ATOM 998 CB GLU B 11 96.753 -25.070 33.970 1.00 0.00 C ATOM 999 CG GLU B 11 97.193 -26.300 33.175 1.00 0.00 C ATOM 1000 CD GLU B 11 98.623 -26.099 32.666 1.00 0.00 C ATOM 1001 OE1 GLU B 11 99.120 -24.990 32.779 1.00 0.00 O ATOM 1002 OE2 GLU B 11 99.196 -27.057 32.173 1.00 0.00 O ATOM 0 H GLU B 11 94.676 -24.674 32.531 1.00 0.00 H new ATOM 0 HA GLU B 11 95.240 -26.238 34.985 1.00 0.00 H new ATOM 0 HB2 GLU B 11 96.803 -24.180 33.342 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.427 -24.906 34.810 1.00 0.00 H new ATOM 0 HG2 GLU B 11 97.142 -27.189 33.804 1.00 0.00 H new ATOM 0 HG3 GLU B 11 96.517 -26.464 32.336 1.00 0.00 H new ATOM 1009 N CYS B 12 93.937 -23.412 35.198 1.00 0.00 N ATOM 1010 CA CYS B 12 93.563 -22.319 36.141 1.00 0.00 C ATOM 1011 C CYS B 12 93.484 -22.887 37.564 1.00 0.00 C ATOM 1012 O CYS B 12 93.942 -22.279 38.512 1.00 0.00 O ATOM 1013 CB CYS B 12 92.204 -21.739 35.740 1.00 0.00 C ATOM 1014 SG CYS B 12 91.768 -20.391 36.866 1.00 0.00 S ATOM 0 H CYS B 12 93.339 -23.507 34.377 1.00 0.00 H new ATOM 0 HA CYS B 12 94.313 -21.529 36.105 1.00 0.00 H new ATOM 0 HB2 CYS B 12 92.241 -21.373 34.714 1.00 0.00 H new ATOM 0 HB3 CYS B 12 91.441 -22.516 35.773 1.00 0.00 H new ATOM 1019 N GLU B 13 92.912 -24.051 37.717 1.00 0.00 N ATOM 1020 CA GLU B 13 92.806 -24.669 39.071 1.00 0.00 C ATOM 1021 C GLU B 13 94.207 -24.892 39.648 1.00 0.00 C ATOM 1022 O GLU B 13 94.437 -24.730 40.830 1.00 0.00 O ATOM 1023 CB GLU B 13 92.076 -26.013 38.971 1.00 0.00 C ATOM 1024 CG GLU B 13 91.906 -26.609 40.371 1.00 0.00 C ATOM 1025 CD GLU B 13 91.119 -27.917 40.282 1.00 0.00 C ATOM 1026 OE1 GLU B 13 90.721 -28.273 39.184 1.00 0.00 O ATOM 1027 OE2 GLU B 13 90.925 -28.541 41.312 1.00 0.00 O ATOM 0 H GLU B 13 92.512 -24.603 36.959 1.00 0.00 H new ATOM 0 HA GLU B 13 92.246 -24.001 39.726 1.00 0.00 H new ATOM 0 HB2 GLU B 13 91.102 -25.875 38.502 1.00 0.00 H new ATOM 0 HB3 GLU B 13 92.640 -26.699 38.339 1.00 0.00 H new ATOM 0 HG2 GLU B 13 92.882 -26.791 40.820 1.00 0.00 H new ATOM 0 HG3 GLU B 13 91.384 -25.903 41.017 1.00 0.00 H new ATOM 1034 N LYS B 14 95.139 -25.286 38.823 1.00 0.00 N ATOM 1035 CA LYS B 14 96.522 -25.551 39.316 1.00 0.00 C ATOM 1036 C LYS B 14 97.101 -24.271 39.930 1.00 0.00 C ATOM 1037 O LYS B 14 97.774 -24.313 40.941 1.00 0.00 O ATOM 1038 CB LYS B 14 97.394 -26.009 38.137 1.00 0.00 C ATOM 1039 CG LYS B 14 98.836 -26.297 38.592 1.00 0.00 C ATOM 1040 CD LYS B 14 98.860 -27.490 39.558 1.00 0.00 C ATOM 1041 CE LYS B 14 100.274 -28.076 39.623 1.00 0.00 C ATOM 1042 NZ LYS B 14 100.293 -29.225 40.573 1.00 0.00 N ATOM 0 H LYS B 14 95.002 -25.437 37.824 1.00 0.00 H new ATOM 0 HA LYS B 14 96.502 -26.331 40.077 1.00 0.00 H new ATOM 0 HB2 LYS B 14 96.965 -26.906 37.690 1.00 0.00 H new ATOM 0 HB3 LYS B 14 97.400 -25.240 37.365 1.00 0.00 H new ATOM 0 HG2 LYS B 14 99.463 -26.509 37.726 1.00 0.00 H new ATOM 0 HG3 LYS B 14 99.254 -25.416 39.080 1.00 0.00 H new ATOM 0 HD2 LYS B 14 98.542 -27.172 40.551 1.00 0.00 H new ATOM 0 HD3 LYS B 14 98.155 -28.253 39.226 1.00 0.00 H new ATOM 0 HE2 LYS B 14 100.589 -28.404 38.632 1.00 0.00 H new ATOM 0 HE3 LYS B 14 100.981 -27.312 39.946 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 101.253 -29.623 40.617 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 100.010 -28.898 41.519 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 99.630 -29.956 40.246 1.00 0.00 H new ATOM 1056 N TYR B 15 96.855 -23.135 39.331 1.00 0.00 N ATOM 1057 CA TYR B 15 97.405 -21.863 39.892 1.00 0.00 C ATOM 1058 C TYR B 15 96.450 -21.311 40.955 1.00 0.00 C ATOM 1059 O TYR B 15 96.805 -20.447 41.732 1.00 0.00 O ATOM 1060 CB TYR B 15 97.569 -20.839 38.768 1.00 0.00 C ATOM 1061 CG TYR B 15 98.617 -21.327 37.797 1.00 0.00 C ATOM 1062 CD1 TYR B 15 99.976 -21.148 38.087 1.00 0.00 C ATOM 1063 CD2 TYR B 15 98.233 -21.965 36.611 1.00 0.00 C ATOM 1064 CE1 TYR B 15 100.949 -21.604 37.191 1.00 0.00 C ATOM 1065 CE2 TYR B 15 99.208 -22.422 35.715 1.00 0.00 C ATOM 1066 CZ TYR B 15 100.566 -22.241 36.005 1.00 0.00 C ATOM 1067 OH TYR B 15 101.526 -22.690 35.122 1.00 0.00 O ATOM 0 H TYR B 15 96.300 -23.032 38.482 1.00 0.00 H new ATOM 0 HA TYR B 15 98.375 -22.060 40.349 1.00 0.00 H new ATOM 0 HB2 TYR B 15 96.620 -20.692 38.253 1.00 0.00 H new ATOM 0 HB3 TYR B 15 97.860 -19.873 39.180 1.00 0.00 H new ATOM 0 HD1 TYR B 15 100.273 -20.658 39.003 1.00 0.00 H new ATOM 0 HD2 TYR B 15 97.186 -22.105 36.387 1.00 0.00 H new ATOM 0 HE1 TYR B 15 101.996 -21.464 37.415 1.00 0.00 H new ATOM 0 HE2 TYR B 15 98.912 -22.914 34.800 1.00 0.00 H new ATOM 0 HH TYR B 15 102.000 -21.924 34.737 1.00 0.00 H new ATOM 1077 N HIS B 16 95.243 -21.809 41.004 1.00 0.00 N ATOM 1078 CA HIS B 16 94.271 -21.327 42.027 1.00 0.00 C ATOM 1079 C HIS B 16 94.043 -19.820 41.873 1.00 0.00 C ATOM 1080 O HIS B 16 93.828 -19.320 40.786 1.00 0.00 O ATOM 1081 CB HIS B 16 94.818 -21.623 43.428 1.00 0.00 C ATOM 1082 CG HIS B 16 95.418 -23.000 43.448 1.00 0.00 C ATOM 1083 ND1 HIS B 16 94.652 -24.137 43.661 1.00 0.00 N ATOM 1084 CD2 HIS B 16 96.707 -23.442 43.275 1.00 0.00 C ATOM 1085 CE1 HIS B 16 95.479 -25.198 43.610 1.00 0.00 C ATOM 1086 NE2 HIS B 16 96.739 -24.827 43.378 1.00 0.00 N ATOM 0 H HIS B 16 94.888 -22.531 40.377 1.00 0.00 H new ATOM 0 HA HIS B 16 93.321 -21.843 41.886 1.00 0.00 H new ATOM 0 HB2 HIS B 16 95.570 -20.883 43.701 1.00 0.00 H new ATOM 0 HB3 HIS B 16 94.018 -21.552 44.165 1.00 0.00 H new ATOM 0 HD2 HIS B 16 97.563 -22.811 43.088 1.00 0.00 H new ATOM 0 HE1 HIS B 16 95.162 -26.222 43.741 1.00 0.00 H new ATOM 0 HE2 HIS B 16 97.555 -25.433 43.294 1.00 0.00 H new ATOM 1095 N SER B 17 94.075 -19.095 42.960 1.00 0.00 N ATOM 1096 CA SER B 17 93.851 -17.622 42.895 1.00 0.00 C ATOM 1097 C SER B 17 95.162 -16.907 42.568 1.00 0.00 C ATOM 1098 O SER B 17 95.198 -15.700 42.427 1.00 0.00 O ATOM 1099 CB SER B 17 93.331 -17.128 44.245 1.00 0.00 C ATOM 1100 OG SER B 17 92.107 -17.784 44.548 1.00 0.00 O ATOM 0 H SER B 17 94.248 -19.463 43.895 1.00 0.00 H new ATOM 0 HA SER B 17 93.121 -17.407 42.115 1.00 0.00 H new ATOM 0 HB2 SER B 17 94.066 -17.327 45.025 1.00 0.00 H new ATOM 0 HB3 SER B 17 93.181 -16.049 44.216 1.00 0.00 H new ATOM 0 HG SER B 17 91.773 -17.470 45.414 1.00 0.00 H new ATOM 1106 N ASN B 18 96.242 -17.631 42.447 1.00 0.00 N ATOM 1107 CA ASN B 18 97.538 -16.967 42.131 1.00 0.00 C ATOM 1108 C ASN B 18 97.589 -16.675 40.635 1.00 0.00 C ATOM 1109 O ASN B 18 98.310 -17.308 39.891 1.00 0.00 O ATOM 1110 CB ASN B 18 98.702 -17.890 42.502 1.00 0.00 C ATOM 1111 CG ASN B 18 98.755 -18.072 44.019 1.00 0.00 C ATOM 1112 OD1 ASN B 18 98.198 -17.286 44.758 1.00 0.00 O ATOM 1113 ND2 ASN B 18 99.421 -19.077 44.518 1.00 0.00 N ATOM 0 H ASN B 18 96.283 -18.645 42.552 1.00 0.00 H new ATOM 0 HA ASN B 18 97.620 -16.041 42.700 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.581 -18.857 42.014 1.00 0.00 H new ATOM 0 HB3 ASN B 18 99.641 -17.468 42.144 1.00 0.00 H new ATOM 0 HD21 ASN B 18 99.474 -19.202 45.529 1.00 0.00 H new ATOM 0 HD22 ASN B 18 99.889 -19.737 43.897 1.00 0.00 H new ATOM 1120 N TRP B 19 96.825 -15.717 40.188 1.00 0.00 N ATOM 1121 CA TRP B 19 96.822 -15.383 38.740 1.00 0.00 C ATOM 1122 C TRP B 19 98.158 -14.738 38.375 1.00 0.00 C ATOM 1123 O TRP B 19 98.603 -14.801 37.246 1.00 0.00 O ATOM 1124 CB TRP B 19 95.682 -14.407 38.446 1.00 0.00 C ATOM 1125 CG TRP B 19 95.878 -13.152 39.234 1.00 0.00 C ATOM 1126 CD1 TRP B 19 95.426 -12.940 40.491 1.00 0.00 C ATOM 1127 CD2 TRP B 19 96.567 -11.932 38.835 1.00 0.00 C ATOM 1128 NE1 TRP B 19 95.795 -11.667 40.889 1.00 0.00 N ATOM 1129 CE2 TRP B 19 96.499 -11.007 39.902 1.00 0.00 C ATOM 1130 CE3 TRP B 19 97.236 -11.546 37.661 1.00 0.00 C ATOM 1131 CZ2 TRP B 19 97.077 -9.740 39.807 1.00 0.00 C ATOM 1132 CZ3 TRP B 19 97.818 -10.273 37.562 1.00 0.00 C ATOM 1133 CH2 TRP B 19 97.739 -9.371 38.633 1.00 0.00 C ATOM 0 H TRP B 19 96.203 -15.152 40.765 1.00 0.00 H new ATOM 0 HA TRP B 19 96.680 -16.289 38.151 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.652 -14.178 37.381 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.725 -14.863 38.701 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.869 -13.648 41.086 1.00 0.00 H new ATOM 0 HE1 TRP B 19 95.574 -11.266 41.800 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.303 -12.233 36.830 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.013 -9.050 40.635 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 98.330 -9.986 36.655 1.00 0.00 H new ATOM 0 HH2 TRP B 19 98.189 -8.393 38.551 1.00 0.00 H new ATOM 1144 N ARG B 20 98.805 -14.120 39.324 1.00 0.00 N ATOM 1145 CA ARG B 20 100.115 -13.476 39.029 1.00 0.00 C ATOM 1146 C ARG B 20 101.109 -14.534 38.546 1.00 0.00 C ATOM 1147 O ARG B 20 101.884 -14.304 37.640 1.00 0.00 O ATOM 1148 CB ARG B 20 100.657 -12.820 40.301 1.00 0.00 C ATOM 1149 CG ARG B 20 99.805 -11.599 40.657 1.00 0.00 C ATOM 1150 CD ARG B 20 100.356 -10.953 41.929 1.00 0.00 C ATOM 1151 NE ARG B 20 99.527 -9.768 42.285 1.00 0.00 N ATOM 1152 CZ ARG B 20 99.643 -9.226 43.467 1.00 0.00 C ATOM 1153 NH1 ARG B 20 100.499 -9.712 44.324 1.00 0.00 N ATOM 1154 NH2 ARG B 20 98.909 -8.196 43.792 1.00 0.00 N ATOM 0 H ARG B 20 98.484 -14.033 40.288 1.00 0.00 H new ATOM 0 HA ARG B 20 99.980 -12.721 38.254 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.646 -13.535 41.123 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.695 -12.521 40.153 1.00 0.00 H new ATOM 0 HG2 ARG B 20 99.816 -10.881 39.837 1.00 0.00 H new ATOM 0 HG3 ARG B 20 98.767 -11.896 40.806 1.00 0.00 H new ATOM 0 HD2 ARG B 20 100.350 -11.673 42.747 1.00 0.00 H new ATOM 0 HD3 ARG B 20 101.393 -10.652 41.777 1.00 0.00 H new ATOM 0 HE ARG B 20 98.870 -9.381 41.607 1.00 0.00 H new ATOM 0 HH11 ARG B 20 101.076 -10.514 44.070 1.00 0.00 H new ATOM 0 HH12 ARG B 20 100.591 -9.290 45.248 1.00 0.00 H new ATOM 0 HH21 ARG B 20 98.243 -7.813 43.122 1.00 0.00 H new ATOM 0 HH22 ARG B 20 99.002 -7.775 44.716 1.00 0.00 H new ATOM 1168 N ALA B 21 101.094 -15.691 39.147 1.00 0.00 N ATOM 1169 CA ALA B 21 102.040 -16.762 38.723 1.00 0.00 C ATOM 1170 C ALA B 21 101.689 -17.230 37.309 1.00 0.00 C ATOM 1171 O ALA B 21 102.551 -17.395 36.468 1.00 0.00 O ATOM 1172 CB ALA B 21 101.938 -17.943 39.692 1.00 0.00 C ATOM 0 H ALA B 21 100.468 -15.942 39.913 1.00 0.00 H new ATOM 0 HA ALA B 21 103.057 -16.370 38.730 1.00 0.00 H new ATOM 0 HB1 ALA B 21 102.629 -18.727 39.384 1.00 0.00 H new ATOM 0 HB2 ALA B 21 102.192 -17.611 40.699 1.00 0.00 H new ATOM 0 HB3 ALA B 21 100.920 -18.333 39.685 1.00 0.00 H new ATOM 1178 N MET B 22 100.430 -17.444 37.038 1.00 0.00 N ATOM 1179 CA MET B 22 100.031 -17.899 35.676 1.00 0.00 C ATOM 1180 C MET B 22 100.397 -16.828 34.649 1.00 0.00 C ATOM 1181 O MET B 22 100.867 -17.125 33.570 1.00 0.00 O ATOM 1182 CB MET B 22 98.521 -18.149 35.646 1.00 0.00 C ATOM 1183 CG MET B 22 98.117 -18.677 34.267 1.00 0.00 C ATOM 1184 SD MET B 22 96.356 -19.103 34.269 1.00 0.00 S ATOM 1185 CE MET B 22 95.710 -17.451 34.628 1.00 0.00 C ATOM 0 H MET B 22 99.663 -17.324 37.699 1.00 0.00 H new ATOM 0 HA MET B 22 100.556 -18.823 35.432 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.246 -18.868 36.417 1.00 0.00 H new ATOM 0 HB3 MET B 22 97.985 -17.226 35.865 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.318 -17.924 33.505 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.713 -19.554 34.014 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.697 -17.363 34.235 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.696 -17.292 35.706 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.347 -16.701 34.159 1.00 0.00 H new ATOM 1195 N ALA B 23 100.195 -15.579 34.972 1.00 0.00 N ATOM 1196 CA ALA B 23 100.541 -14.502 34.004 1.00 0.00 C ATOM 1197 C ALA B 23 102.033 -14.585 33.672 1.00 0.00 C ATOM 1198 O ALA B 23 102.441 -14.400 32.543 1.00 0.00 O ATOM 1199 CB ALA B 23 100.232 -13.138 34.626 1.00 0.00 C ATOM 0 H ALA B 23 99.807 -15.260 35.860 1.00 0.00 H new ATOM 0 HA ALA B 23 99.955 -14.625 33.093 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.485 -12.349 33.918 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.171 -13.081 34.869 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.820 -13.011 35.535 1.00 0.00 H new ATOM 1205 N SER B 24 102.847 -14.854 34.655 1.00 0.00 N ATOM 1206 CA SER B 24 104.316 -14.944 34.415 1.00 0.00 C ATOM 1207 C SER B 24 104.637 -16.177 33.564 1.00 0.00 C ATOM 1208 O SER B 24 105.540 -16.162 32.752 1.00 0.00 O ATOM 1209 CB SER B 24 105.038 -15.050 35.757 1.00 0.00 C ATOM 1210 OG SER B 24 104.728 -13.908 36.545 1.00 0.00 O ATOM 0 H SER B 24 102.557 -15.016 35.619 1.00 0.00 H new ATOM 0 HA SER B 24 104.648 -14.052 33.884 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.734 -15.959 36.276 1.00 0.00 H new ATOM 0 HB3 SER B 24 106.115 -15.117 35.600 1.00 0.00 H new ATOM 0 HG SER B 24 103.818 -13.991 36.898 1.00 0.00 H new ATOM 1216 N ASP B 25 103.917 -17.248 33.754 1.00 0.00 N ATOM 1217 CA ASP B 25 104.198 -18.484 32.964 1.00 0.00 C ATOM 1218 C ASP B 25 103.821 -18.253 31.506 1.00 0.00 C ATOM 1219 O ASP B 25 104.537 -18.626 30.597 1.00 0.00 O ATOM 1220 CB ASP B 25 103.352 -19.630 33.513 1.00 0.00 C ATOM 1221 CG ASP B 25 103.807 -20.950 32.886 1.00 0.00 C ATOM 1222 OD1 ASP B 25 104.443 -20.900 31.847 1.00 0.00 O ATOM 1223 OD2 ASP B 25 103.509 -21.988 33.454 1.00 0.00 O ATOM 0 H ASP B 25 103.148 -17.323 34.420 1.00 0.00 H new ATOM 0 HA ASP B 25 105.258 -18.729 33.037 1.00 0.00 H new ATOM 0 HB2 ASP B 25 103.448 -19.679 34.598 1.00 0.00 H new ATOM 0 HB3 ASP B 25 102.299 -19.455 33.294 1.00 0.00 H new ATOM 1228 N PHE B 26 102.700 -17.635 31.277 1.00 0.00 N ATOM 1229 CA PHE B 26 102.257 -17.363 29.876 1.00 0.00 C ATOM 1230 C PHE B 26 102.722 -15.964 29.458 1.00 0.00 C ATOM 1231 O PHE B 26 102.491 -15.526 28.347 1.00 0.00 O ATOM 1232 CB PHE B 26 100.731 -17.455 29.799 1.00 0.00 C ATOM 1233 CG PHE B 26 100.308 -18.898 29.964 1.00 0.00 C ATOM 1234 CD1 PHE B 26 100.182 -19.721 28.838 1.00 0.00 C ATOM 1235 CD2 PHE B 26 100.039 -19.413 31.240 1.00 0.00 C ATOM 1236 CE1 PHE B 26 99.789 -21.056 28.985 1.00 0.00 C ATOM 1237 CE2 PHE B 26 99.647 -20.749 31.385 1.00 0.00 C ATOM 1238 CZ PHE B 26 99.522 -21.571 30.259 1.00 0.00 C ATOM 0 H PHE B 26 102.064 -17.303 32.002 1.00 0.00 H new ATOM 0 HA PHE B 26 102.693 -18.100 29.201 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.278 -16.840 30.577 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.380 -17.068 28.842 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.388 -19.325 27.855 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.134 -18.780 32.110 1.00 0.00 H new ATOM 0 HE1 PHE B 26 99.692 -21.689 28.115 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.441 -21.146 32.368 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.220 -22.602 30.373 1.00 0.00 H new ATOM 1248 N ASN B 27 103.392 -15.266 30.335 1.00 0.00 N ATOM 1249 CA ASN B 27 103.892 -13.903 29.993 1.00 0.00 C ATOM 1250 C ASN B 27 102.753 -13.052 29.426 1.00 0.00 C ATOM 1251 O ASN B 27 102.890 -12.434 28.389 1.00 0.00 O ATOM 1252 CB ASN B 27 105.012 -14.016 28.953 1.00 0.00 C ATOM 1253 CG ASN B 27 106.227 -14.718 29.572 1.00 0.00 C ATOM 1254 OD1 ASN B 27 106.354 -14.768 30.872 1.00 0.00 O flip ATOM 1255 ND2 ASN B 27 107.072 -15.227 28.862 1.00 0.00 N flip ATOM 0 H ASN B 27 103.616 -15.583 31.278 1.00 0.00 H new ATOM 0 HA ASN B 27 104.276 -13.428 30.896 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.660 -14.575 28.086 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.294 -13.024 28.600 1.00 0.00 H new ATOM 0 HD21 ASN B 27 106.975 -15.190 27.847 1.00 0.00 H new ATOM 0 HD22 ASN B 27 107.878 -15.692 29.281 1.00 0.00 H new ATOM 1262 N LEU B 28 101.630 -13.011 30.104 1.00 0.00 N ATOM 1263 CA LEU B 28 100.464 -12.194 29.626 1.00 0.00 C ATOM 1264 C LEU B 28 100.164 -11.096 30.656 1.00 0.00 C ATOM 1265 O LEU B 28 100.434 -11.261 31.829 1.00 0.00 O ATOM 1266 CB LEU B 28 99.236 -13.102 29.496 1.00 0.00 C ATOM 1267 CG LEU B 28 99.383 -14.027 28.276 1.00 0.00 C ATOM 1268 CD1 LEU B 28 98.430 -15.219 28.420 1.00 0.00 C ATOM 1269 CD2 LEU B 28 99.041 -13.268 26.980 1.00 0.00 C ATOM 0 H LEU B 28 101.468 -13.513 30.977 1.00 0.00 H new ATOM 0 HA LEU B 28 100.699 -11.745 28.661 1.00 0.00 H new ATOM 0 HB2 LEU B 28 99.119 -13.698 30.401 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.336 -12.496 29.395 1.00 0.00 H new ATOM 0 HG LEU B 28 100.415 -14.375 28.226 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.534 -15.875 27.555 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.674 -15.773 29.327 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.403 -14.859 28.480 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.150 -13.937 26.127 1.00 0.00 H new ATOM 0 HD22 LEU B 28 98.013 -12.908 27.030 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.717 -12.421 26.865 1.00 0.00 H new ATOM 1281 N PRO B 29 99.609 -9.979 30.235 1.00 0.00 N ATOM 1282 CA PRO B 29 99.281 -8.858 31.166 1.00 0.00 C ATOM 1283 C PRO B 29 98.048 -9.176 32.041 1.00 0.00 C ATOM 1284 O PRO B 29 97.183 -9.928 31.640 1.00 0.00 O ATOM 1285 CB PRO B 29 98.994 -7.683 30.222 1.00 0.00 C ATOM 1286 CG PRO B 29 98.489 -8.321 28.968 1.00 0.00 C ATOM 1287 CD PRO B 29 99.238 -9.652 28.842 1.00 0.00 C ATOM 0 HA PRO B 29 100.086 -8.658 31.873 1.00 0.00 H new ATOM 0 HB2 PRO B 29 98.254 -7.005 30.647 1.00 0.00 H new ATOM 0 HB3 PRO B 29 99.893 -7.097 30.034 1.00 0.00 H new ATOM 0 HG2 PRO B 29 97.412 -8.482 29.018 1.00 0.00 H new ATOM 0 HG3 PRO B 29 98.676 -7.684 28.103 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.608 -10.426 28.403 1.00 0.00 H new ATOM 0 HD3 PRO B 29 100.117 -9.558 28.205 1.00 0.00 H new ATOM 1295 N PRO B 30 97.963 -8.608 33.224 1.00 0.00 N ATOM 1296 CA PRO B 30 96.814 -8.842 34.148 1.00 0.00 C ATOM 1297 C PRO B 30 95.452 -8.861 33.436 1.00 0.00 C ATOM 1298 O PRO B 30 94.502 -9.443 33.921 1.00 0.00 O ATOM 1299 CB PRO B 30 96.887 -7.653 35.115 1.00 0.00 C ATOM 1300 CG PRO B 30 98.336 -7.279 35.172 1.00 0.00 C ATOM 1301 CD PRO B 30 98.952 -7.684 33.822 1.00 0.00 C ATOM 0 HA PRO B 30 96.887 -9.818 34.628 1.00 0.00 H new ATOM 0 HB2 PRO B 30 96.279 -6.820 34.761 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.512 -7.925 36.102 1.00 0.00 H new ATOM 0 HG2 PRO B 30 98.453 -6.209 35.345 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.836 -7.791 35.994 1.00 0.00 H new ATOM 0 HD2 PRO B 30 99.118 -6.815 33.185 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.918 -8.170 33.957 1.00 0.00 H new ATOM 1309 N VAL B 31 95.334 -8.203 32.314 1.00 0.00 N ATOM 1310 CA VAL B 31 94.013 -8.170 31.619 1.00 0.00 C ATOM 1311 C VAL B 31 93.564 -9.589 31.257 1.00 0.00 C ATOM 1312 O VAL B 31 92.448 -9.982 31.535 1.00 0.00 O ATOM 1313 CB VAL B 31 94.127 -7.331 30.339 1.00 0.00 C ATOM 1314 CG1 VAL B 31 92.856 -7.492 29.488 1.00 0.00 C ATOM 1315 CG2 VAL B 31 94.306 -5.858 30.715 1.00 0.00 C ATOM 0 H VAL B 31 96.086 -7.692 31.852 1.00 0.00 H new ATOM 0 HA VAL B 31 93.276 -7.725 32.288 1.00 0.00 H new ATOM 0 HB VAL B 31 94.986 -7.672 29.762 1.00 0.00 H new ATOM 0 HG11 VAL B 31 92.946 -6.893 28.582 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.729 -8.540 29.219 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.991 -7.157 30.060 1.00 0.00 H new ATOM 0 HG21 VAL B 31 94.387 -5.258 29.808 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.446 -5.524 31.295 1.00 0.00 H new ATOM 0 HG23 VAL B 31 95.212 -5.742 31.309 1.00 0.00 H new ATOM 1325 N VAL B 32 94.413 -10.357 30.633 1.00 0.00 N ATOM 1326 CA VAL B 32 94.016 -11.741 30.252 1.00 0.00 C ATOM 1327 C VAL B 32 93.991 -12.637 31.491 1.00 0.00 C ATOM 1328 O VAL B 32 93.103 -13.448 31.663 1.00 0.00 O ATOM 1329 CB VAL B 32 95.013 -12.297 29.232 1.00 0.00 C ATOM 1330 CG1 VAL B 32 94.695 -13.769 28.952 1.00 0.00 C ATOM 1331 CG2 VAL B 32 94.915 -11.494 27.929 1.00 0.00 C ATOM 0 H VAL B 32 95.361 -10.088 30.371 1.00 0.00 H new ATOM 0 HA VAL B 32 93.020 -11.719 29.810 1.00 0.00 H new ATOM 0 HB VAL B 32 96.023 -12.216 29.633 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.406 -14.163 28.226 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.768 -14.340 29.878 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.684 -13.853 28.553 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.625 -11.890 27.203 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.904 -11.573 27.528 1.00 0.00 H new ATOM 0 HG23 VAL B 32 95.146 -10.448 28.128 1.00 0.00 H new ATOM 1341 N ALA B 33 94.957 -12.500 32.354 1.00 0.00 N ATOM 1342 CA ALA B 33 94.981 -13.350 33.574 1.00 0.00 C ATOM 1343 C ALA B 33 93.717 -13.089 34.391 1.00 0.00 C ATOM 1344 O ALA B 33 93.036 -14.003 34.810 1.00 0.00 O ATOM 1345 CB ALA B 33 96.220 -13.013 34.405 1.00 0.00 C ATOM 0 H ALA B 33 95.728 -11.838 32.268 1.00 0.00 H new ATOM 0 HA ALA B 33 95.018 -14.402 33.292 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.238 -13.636 35.300 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.116 -13.200 33.814 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.189 -11.963 34.695 1.00 0.00 H new ATOM 1351 N LYS B 34 93.392 -11.847 34.609 1.00 0.00 N ATOM 1352 CA LYS B 34 92.164 -11.525 35.386 1.00 0.00 C ATOM 1353 C LYS B 34 90.947 -12.101 34.658 1.00 0.00 C ATOM 1354 O LYS B 34 90.027 -12.608 35.266 1.00 0.00 O ATOM 1355 CB LYS B 34 92.011 -10.002 35.488 1.00 0.00 C ATOM 1356 CG LYS B 34 93.099 -9.408 36.398 1.00 0.00 C ATOM 1357 CD LYS B 34 92.728 -9.587 37.875 1.00 0.00 C ATOM 1358 CE LYS B 34 93.750 -8.850 38.744 1.00 0.00 C ATOM 1359 NZ LYS B 34 93.733 -7.397 38.409 1.00 0.00 N ATOM 0 H LYS B 34 93.924 -11.040 34.283 1.00 0.00 H new ATOM 0 HA LYS B 34 92.239 -11.954 36.385 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.077 -9.557 34.495 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.025 -9.756 35.882 1.00 0.00 H new ATOM 0 HG2 LYS B 34 94.054 -9.894 36.196 1.00 0.00 H new ATOM 0 HG3 LYS B 34 93.227 -8.349 36.176 1.00 0.00 H new ATOM 0 HD2 LYS B 34 91.727 -9.198 38.061 1.00 0.00 H new ATOM 0 HD3 LYS B 34 92.711 -10.646 38.132 1.00 0.00 H new ATOM 0 HE2 LYS B 34 93.517 -8.993 39.799 1.00 0.00 H new ATOM 0 HE3 LYS B 34 94.746 -9.260 38.579 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 93.788 -6.838 39.284 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 94.547 -7.171 37.802 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 92.852 -7.167 37.906 1.00 0.00 H new ATOM 1373 N GLU B 35 90.934 -12.007 33.354 1.00 0.00 N ATOM 1374 CA GLU B 35 89.773 -12.529 32.575 1.00 0.00 C ATOM 1375 C GLU B 35 89.665 -14.045 32.738 1.00 0.00 C ATOM 1376 O GLU B 35 88.584 -14.585 32.868 1.00 0.00 O ATOM 1377 CB GLU B 35 89.965 -12.198 31.094 1.00 0.00 C ATOM 1378 CG GLU B 35 88.693 -12.548 30.314 1.00 0.00 C ATOM 1379 CD GLU B 35 88.635 -14.056 30.057 1.00 0.00 C ATOM 1380 OE1 GLU B 35 89.545 -14.565 29.423 1.00 0.00 O ATOM 1381 OE2 GLU B 35 87.680 -14.674 30.497 1.00 0.00 O ATOM 0 H GLU B 35 91.678 -11.591 32.795 1.00 0.00 H new ATOM 0 HA GLU B 35 88.861 -12.063 32.947 1.00 0.00 H new ATOM 0 HB2 GLU B 35 90.195 -11.139 30.976 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.812 -12.755 30.694 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.814 -12.232 30.876 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.677 -12.008 29.367 1.00 0.00 H new ATOM 1388 N ILE B 36 90.767 -14.742 32.737 1.00 0.00 N ATOM 1389 CA ILE B 36 90.691 -16.218 32.898 1.00 0.00 C ATOM 1390 C ILE B 36 90.043 -16.503 34.250 1.00 0.00 C ATOM 1391 O ILE B 36 89.205 -17.373 34.382 1.00 0.00 O ATOM 1392 CB ILE B 36 92.100 -16.813 32.834 1.00 0.00 C ATOM 1393 CG1 ILE B 36 92.636 -16.662 31.406 1.00 0.00 C ATOM 1394 CG2 ILE B 36 92.050 -18.297 33.201 1.00 0.00 C ATOM 1395 CD1 ILE B 36 94.126 -17.002 31.377 1.00 0.00 C ATOM 0 H ILE B 36 91.706 -14.358 32.633 1.00 0.00 H new ATOM 0 HA ILE B 36 90.099 -16.670 32.102 1.00 0.00 H new ATOM 0 HB ILE B 36 92.751 -16.292 33.535 1.00 0.00 H new ATOM 0 HG12 ILE B 36 92.090 -17.320 30.731 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.479 -15.642 31.054 1.00 0.00 H new ATOM 0 HG21 ILE B 36 93.055 -18.717 33.154 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.656 -18.409 34.211 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.403 -18.824 32.499 1.00 0.00 H new ATOM 0 HD11 ILE B 36 94.504 -16.894 30.360 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.666 -16.326 32.039 1.00 0.00 H new ATOM 0 HD13 ILE B 36 94.271 -18.029 31.711 1.00 0.00 H new ATOM 1407 N VAL B 37 90.396 -15.738 35.243 1.00 0.00 N ATOM 1408 CA VAL B 37 89.774 -15.916 36.582 1.00 0.00 C ATOM 1409 C VAL B 37 88.307 -15.494 36.475 1.00 0.00 C ATOM 1410 O VAL B 37 87.422 -16.112 37.034 1.00 0.00 O ATOM 1411 CB VAL B 37 90.499 -15.028 37.599 1.00 0.00 C ATOM 1412 CG1 VAL B 37 89.723 -15.007 38.919 1.00 0.00 C ATOM 1413 CG2 VAL B 37 91.906 -15.582 37.841 1.00 0.00 C ATOM 0 H VAL B 37 91.091 -14.994 35.184 1.00 0.00 H new ATOM 0 HA VAL B 37 89.846 -16.954 36.908 1.00 0.00 H new ATOM 0 HB VAL B 37 90.566 -14.012 37.209 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.244 -14.374 39.637 1.00 0.00 H new ATOM 0 HG12 VAL B 37 88.722 -14.612 38.746 1.00 0.00 H new ATOM 0 HG13 VAL B 37 89.650 -16.020 39.314 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.425 -14.953 38.564 1.00 0.00 H new ATOM 0 HG22 VAL B 37 91.835 -16.598 38.229 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.460 -15.590 36.903 1.00 0.00 H new ATOM 1423 N ALA B 38 88.055 -14.437 35.750 1.00 0.00 N ATOM 1424 CA ALA B 38 86.658 -13.946 35.580 1.00 0.00 C ATOM 1425 C ALA B 38 85.795 -15.049 34.962 1.00 0.00 C ATOM 1426 O ALA B 38 84.584 -15.018 35.043 1.00 0.00 O ATOM 1427 CB ALA B 38 86.662 -12.717 34.663 1.00 0.00 C ATOM 0 H ALA B 38 88.764 -13.888 35.264 1.00 0.00 H new ATOM 0 HA ALA B 38 86.246 -13.674 36.552 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.642 -12.355 34.536 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.273 -11.932 35.109 1.00 0.00 H new ATOM 0 HB3 ALA B 38 87.074 -12.989 33.691 1.00 0.00 H new ATOM 1433 N SER B 39 86.408 -16.027 34.346 1.00 0.00 N ATOM 1434 CA SER B 39 85.618 -17.132 33.724 1.00 0.00 C ATOM 1435 C SER B 39 85.467 -18.259 34.742 1.00 0.00 C ATOM 1436 O SER B 39 84.389 -18.776 34.955 1.00 0.00 O ATOM 1437 CB SER B 39 86.360 -17.653 32.492 1.00 0.00 C ATOM 1438 OG SER B 39 86.379 -16.642 31.493 1.00 0.00 O ATOM 0 H SER B 39 87.420 -16.108 34.247 1.00 0.00 H new ATOM 0 HA SER B 39 84.635 -16.767 33.425 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.378 -17.936 32.759 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.870 -18.549 32.110 1.00 0.00 H new ATOM 0 HG SER B 39 87.199 -16.112 31.580 1.00 0.00 H new ATOM 1444 N CYS B 40 86.536 -18.630 35.385 1.00 0.00 N ATOM 1445 CA CYS B 40 86.451 -19.708 36.407 1.00 0.00 C ATOM 1446 C CYS B 40 85.476 -19.265 37.503 1.00 0.00 C ATOM 1447 O CYS B 40 85.593 -18.184 38.045 1.00 0.00 O ATOM 1448 CB CYS B 40 87.836 -19.933 37.010 1.00 0.00 C ATOM 1449 SG CYS B 40 87.834 -21.453 37.993 1.00 0.00 S ATOM 0 H CYS B 40 87.466 -18.234 35.247 1.00 0.00 H new ATOM 0 HA CYS B 40 86.100 -20.635 35.954 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.581 -20.002 36.218 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.113 -19.084 37.635 1.00 0.00 H new ATOM 1454 N ASP B 41 84.510 -20.080 37.829 1.00 0.00 N ATOM 1455 CA ASP B 41 83.529 -19.685 38.882 1.00 0.00 C ATOM 1456 C ASP B 41 84.122 -19.910 40.275 1.00 0.00 C ATOM 1457 O ASP B 41 83.731 -19.273 41.232 1.00 0.00 O ATOM 1458 CB ASP B 41 82.256 -20.523 38.734 1.00 0.00 C ATOM 1459 CG ASP B 41 81.510 -20.098 37.470 1.00 0.00 C ATOM 1460 OD1 ASP B 41 81.722 -18.982 37.027 1.00 0.00 O ATOM 1461 OD2 ASP B 41 80.737 -20.897 36.966 1.00 0.00 O ATOM 0 H ASP B 41 84.357 -20.999 37.414 1.00 0.00 H new ATOM 0 HA ASP B 41 83.294 -18.627 38.763 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.509 -21.582 38.681 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.618 -20.391 39.608 1.00 0.00 H new ATOM 1466 N LYS B 42 85.048 -20.820 40.407 1.00 0.00 N ATOM 1467 CA LYS B 42 85.637 -21.085 41.750 1.00 0.00 C ATOM 1468 C LYS B 42 86.589 -19.949 42.141 1.00 0.00 C ATOM 1469 O LYS B 42 86.574 -19.473 43.259 1.00 0.00 O ATOM 1470 CB LYS B 42 86.427 -22.395 41.708 1.00 0.00 C ATOM 1471 CG LYS B 42 85.507 -23.560 41.320 1.00 0.00 C ATOM 1472 CD LYS B 42 84.518 -23.868 42.454 1.00 0.00 C ATOM 1473 CE LYS B 42 83.947 -25.277 42.265 1.00 0.00 C ATOM 1474 NZ LYS B 42 85.055 -26.273 42.323 1.00 0.00 N ATOM 0 H LYS B 42 85.421 -21.389 39.647 1.00 0.00 H new ATOM 0 HA LYS B 42 84.832 -21.153 42.481 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.243 -22.313 40.990 1.00 0.00 H new ATOM 0 HB3 LYS B 42 86.877 -22.587 42.682 1.00 0.00 H new ATOM 0 HG2 LYS B 42 84.960 -23.311 40.411 1.00 0.00 H new ATOM 0 HG3 LYS B 42 86.104 -24.445 41.101 1.00 0.00 H new ATOM 0 HD2 LYS B 42 85.020 -23.794 43.419 1.00 0.00 H new ATOM 0 HD3 LYS B 42 83.712 -23.135 42.457 1.00 0.00 H new ATOM 0 HE2 LYS B 42 83.211 -25.490 43.040 1.00 0.00 H new ATOM 0 HE3 LYS B 42 83.431 -25.347 41.308 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 84.790 -27.050 42.962 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 85.231 -26.653 41.371 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 85.918 -25.812 42.677 1.00 0.00 H new ATOM 1488 N CYS B 43 87.425 -19.519 41.236 1.00 0.00 N ATOM 1489 CA CYS B 43 88.386 -18.427 41.567 1.00 0.00 C ATOM 1490 C CYS B 43 87.685 -17.066 41.515 1.00 0.00 C ATOM 1491 O CYS B 43 88.096 -16.127 42.167 1.00 0.00 O ATOM 1492 CB CYS B 43 89.549 -18.448 40.573 1.00 0.00 C ATOM 1493 SG CYS B 43 90.531 -19.947 40.828 1.00 0.00 S ATOM 0 H CYS B 43 87.485 -19.876 40.282 1.00 0.00 H new ATOM 0 HA CYS B 43 88.767 -18.586 42.576 1.00 0.00 H new ATOM 0 HB2 CYS B 43 89.169 -18.418 39.552 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.173 -17.564 40.707 1.00 0.00 H new ATOM 1498 N GLN B 44 86.637 -16.941 40.745 1.00 0.00 N ATOM 1499 CA GLN B 44 85.935 -15.628 40.666 1.00 0.00 C ATOM 1500 C GLN B 44 85.121 -15.407 41.940 1.00 0.00 C ATOM 1501 O GLN B 44 85.394 -14.514 42.718 1.00 0.00 O ATOM 1502 CB GLN B 44 84.997 -15.614 39.456 1.00 0.00 C ATOM 1503 CG GLN B 44 84.402 -14.212 39.295 1.00 0.00 C ATOM 1504 CD GLN B 44 83.544 -14.156 38.029 1.00 0.00 C ATOM 1505 OE1 GLN B 44 83.212 -15.176 37.460 1.00 0.00 O ATOM 1506 NE2 GLN B 44 83.174 -12.996 37.561 1.00 0.00 N ATOM 0 H GLN B 44 86.239 -17.685 40.172 1.00 0.00 H new ATOM 0 HA GLN B 44 86.673 -14.833 40.560 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.542 -15.896 38.555 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.201 -16.347 39.590 1.00 0.00 H new ATOM 0 HG2 GLN B 44 83.797 -13.961 40.167 1.00 0.00 H new ATOM 0 HG3 GLN B 44 85.201 -13.472 39.237 1.00 0.00 H new ATOM 0 HE21 GLN B 44 83.454 -12.140 38.040 1.00 0.00 H new ATOM 0 HE22 GLN B 44 82.605 -12.945 36.716 1.00 0.00 H new ATOM 1515 N LEU B 45 84.124 -16.218 42.162 1.00 0.00 N ATOM 1516 CA LEU B 45 83.290 -16.063 43.388 1.00 0.00 C ATOM 1517 C LEU B 45 83.953 -16.827 44.538 1.00 0.00 C ATOM 1518 O LEU B 45 84.171 -18.019 44.459 1.00 0.00 O ATOM 1519 CB LEU B 45 81.896 -16.643 43.136 1.00 0.00 C ATOM 1520 CG LEU B 45 81.262 -15.977 41.908 1.00 0.00 C ATOM 1521 CD1 LEU B 45 79.892 -16.610 41.649 1.00 0.00 C ATOM 1522 CD2 LEU B 45 81.091 -14.467 42.152 1.00 0.00 C ATOM 0 H LEU B 45 83.850 -16.983 41.546 1.00 0.00 H new ATOM 0 HA LEU B 45 83.202 -15.007 43.642 1.00 0.00 H new ATOM 0 HB2 LEU B 45 81.964 -17.720 42.981 1.00 0.00 H new ATOM 0 HB3 LEU B 45 81.265 -16.486 44.011 1.00 0.00 H new ATOM 0 HG LEU B 45 81.910 -16.123 41.044 1.00 0.00 H new ATOM 0 HD11 LEU B 45 79.434 -16.142 40.777 1.00 0.00 H new ATOM 0 HD12 LEU B 45 80.013 -17.678 41.466 1.00 0.00 H new ATOM 0 HD13 LEU B 45 79.252 -16.461 42.519 1.00 0.00 H new ATOM 0 HD21 LEU B 45 80.640 -14.005 41.274 1.00 0.00 H new ATOM 0 HD22 LEU B 45 80.446 -14.309 43.016 1.00 0.00 H new ATOM 0 HD23 LEU B 45 82.066 -14.016 42.339 1.00 0.00 H new ATOM 1534 N LYS B 46 84.276 -16.148 45.603 1.00 0.00 N ATOM 1535 CA LYS B 46 84.925 -16.831 46.759 1.00 0.00 C ATOM 1536 C LYS B 46 83.858 -17.492 47.634 1.00 0.00 C ATOM 1537 O LYS B 46 83.177 -16.836 48.397 1.00 0.00 O ATOM 1538 CB LYS B 46 85.684 -15.794 47.585 1.00 0.00 C ATOM 1539 CG LYS B 46 86.905 -15.303 46.803 1.00 0.00 C ATOM 1540 CD LYS B 46 87.656 -14.265 47.639 1.00 0.00 C ATOM 1541 CE LYS B 46 88.887 -13.769 46.876 1.00 0.00 C ATOM 1542 NZ LYS B 46 89.835 -13.134 47.835 1.00 0.00 N ATOM 0 H LYS B 46 84.119 -15.147 45.724 1.00 0.00 H new ATOM 0 HA LYS B 46 85.613 -17.594 46.394 1.00 0.00 H new ATOM 0 HB2 LYS B 46 85.030 -14.955 47.822 1.00 0.00 H new ATOM 0 HB3 LYS B 46 85.999 -16.230 48.533 1.00 0.00 H new ATOM 0 HG2 LYS B 46 87.561 -16.141 46.567 1.00 0.00 H new ATOM 0 HG3 LYS B 46 86.592 -14.866 45.855 1.00 0.00 H new ATOM 0 HD2 LYS B 46 86.998 -13.427 47.869 1.00 0.00 H new ATOM 0 HD3 LYS B 46 87.959 -14.703 48.590 1.00 0.00 H new ATOM 0 HE2 LYS B 46 89.371 -14.600 46.364 1.00 0.00 H new ATOM 0 HE3 LYS B 46 88.591 -13.052 46.110 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 90.673 -12.795 47.321 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 89.369 -12.332 48.304 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 90.125 -13.832 48.550 1.00 0.00 H new ATOM 1556 N GLY B 47 83.710 -18.788 47.537 1.00 0.00 N ATOM 1557 CA GLY B 47 82.690 -19.494 48.370 1.00 0.00 C ATOM 1558 C GLY B 47 81.368 -18.721 48.338 1.00 0.00 C ATOM 1559 O GLY B 47 81.012 -18.120 47.344 1.00 0.00 O ATOM 0 H GLY B 47 84.252 -19.389 46.916 1.00 0.00 H new ATOM 0 HA2 GLY B 47 82.539 -20.506 47.995 1.00 0.00 H new ATOM 0 HA3 GLY B 47 83.045 -19.584 49.397 1.00 0.00 H new ATOM 1563 N GLU B 48 80.644 -18.726 49.425 1.00 0.00 N ATOM 1564 CA GLU B 48 79.349 -17.987 49.472 1.00 0.00 C ATOM 1565 C GLU B 48 79.624 -16.528 49.848 1.00 0.00 C ATOM 1566 O GLU B 48 80.451 -16.242 50.690 1.00 0.00 O ATOM 1567 CB GLU B 48 78.435 -18.636 50.516 1.00 0.00 C ATOM 1568 CG GLU B 48 77.063 -17.958 50.498 1.00 0.00 C ATOM 1569 CD GLU B 48 76.130 -18.675 51.477 1.00 0.00 C ATOM 1570 OE1 GLU B 48 76.524 -19.710 51.988 1.00 0.00 O ATOM 1571 OE2 GLU B 48 75.038 -18.177 51.698 1.00 0.00 O ATOM 0 H GLU B 48 80.895 -19.212 50.286 1.00 0.00 H new ATOM 0 HA GLU B 48 78.859 -18.023 48.499 1.00 0.00 H new ATOM 0 HB2 GLU B 48 78.327 -19.700 50.307 1.00 0.00 H new ATOM 0 HB3 GLU B 48 78.881 -18.549 51.507 1.00 0.00 H new ATOM 0 HG2 GLU B 48 77.160 -16.908 50.774 1.00 0.00 H new ATOM 0 HG3 GLU B 48 76.644 -17.986 49.492 1.00 0.00 H new ATOM 1578 N ALA B 49 78.948 -15.600 49.225 1.00 0.00 N ATOM 1579 CA ALA B 49 79.191 -14.164 49.546 1.00 0.00 C ATOM 1580 C ALA B 49 78.684 -13.858 50.957 1.00 0.00 C ATOM 1581 O ALA B 49 79.440 -13.846 51.908 1.00 0.00 O ATOM 1582 CB ALA B 49 78.449 -13.286 48.535 1.00 0.00 C ATOM 0 H ALA B 49 78.241 -15.773 48.511 1.00 0.00 H new ATOM 0 HA ALA B 49 80.260 -13.957 49.495 1.00 0.00 H new ATOM 0 HB1 ALA B 49 78.625 -12.236 48.767 1.00 0.00 H new ATOM 0 HB2 ALA B 49 78.813 -13.501 47.530 1.00 0.00 H new ATOM 0 HB3 ALA B 49 77.380 -13.495 48.587 1.00 0.00 H new ATOM 1588 N MET B 50 77.414 -13.614 51.101 1.00 0.00 N ATOM 1589 CA MET B 50 76.863 -13.314 52.454 1.00 0.00 C ATOM 1590 C MET B 50 77.643 -12.146 53.073 1.00 0.00 C ATOM 1591 O MET B 50 77.520 -11.857 54.245 1.00 0.00 O ATOM 1592 CB MET B 50 77.015 -14.559 53.343 1.00 0.00 C ATOM 1593 CG MET B 50 76.047 -14.479 54.529 1.00 0.00 C ATOM 1594 SD MET B 50 76.276 -15.926 55.590 1.00 0.00 S ATOM 1595 CE MET B 50 75.026 -15.494 56.825 1.00 0.00 C ATOM 0 H MET B 50 76.732 -13.609 50.343 1.00 0.00 H new ATOM 0 HA MET B 50 75.810 -13.044 52.374 1.00 0.00 H new ATOM 0 HB2 MET B 50 76.815 -15.458 52.760 1.00 0.00 H new ATOM 0 HB3 MET B 50 78.040 -14.635 53.705 1.00 0.00 H new ATOM 0 HG2 MET B 50 76.225 -13.566 55.097 1.00 0.00 H new ATOM 0 HG3 MET B 50 75.018 -14.436 54.171 1.00 0.00 H new ATOM 0 HE1 MET B 50 74.993 -16.265 57.594 1.00 0.00 H new ATOM 0 HE2 MET B 50 75.281 -14.537 57.281 1.00 0.00 H new ATOM 0 HE3 MET B 50 74.051 -15.419 56.344 1.00 0.00 H new ATOM 1605 N HIS B 51 78.453 -11.471 52.301 1.00 0.00 N ATOM 1606 CA HIS B 51 79.238 -10.332 52.865 1.00 0.00 C ATOM 1607 C HIS B 51 79.550 -9.326 51.748 1.00 0.00 C ATOM 1608 O HIS B 51 79.432 -9.632 50.579 1.00 0.00 O ATOM 1609 CB HIS B 51 80.546 -10.889 53.462 1.00 0.00 C ATOM 1610 CG HIS B 51 81.039 -10.033 54.609 1.00 0.00 C ATOM 1611 ND1 HIS B 51 80.627 -8.821 55.120 1.00 0.00 N flip ATOM 1612 CD2 HIS B 51 82.114 -10.425 55.396 1.00 0.00 C flip ATOM 1613 CE1 HIS B 51 81.433 -8.477 56.199 1.00 0.00 C flip ATOM 1614 NE2 HIS B 51 82.310 -9.472 56.325 1.00 0.00 N flip ATOM 0 H HIS B 51 78.605 -11.657 51.310 1.00 0.00 H new ATOM 0 HA HIS B 51 78.668 -9.824 53.643 1.00 0.00 H new ATOM 0 HB2 HIS B 51 80.383 -11.909 53.811 1.00 0.00 H new ATOM 0 HB3 HIS B 51 81.310 -10.936 52.686 1.00 0.00 H new ATOM 0 HD2 HIS B 51 82.689 -11.332 55.283 1.00 0.00 H new ATOM 0 HE1 HIS B 51 81.363 -7.588 56.808 1.00 0.00 H new ATOM 0 HE2 HIS B 51 83.039 -9.507 57.037 1.00 0.00 H new ATOM 1623 N GLY B 52 79.947 -8.131 52.096 1.00 0.00 N ATOM 1624 CA GLY B 52 80.262 -7.121 51.046 1.00 0.00 C ATOM 1625 C GLY B 52 80.669 -5.797 51.699 1.00 0.00 C ATOM 1626 O GLY B 52 79.975 -4.804 51.596 1.00 0.00 O ATOM 0 H GLY B 52 80.066 -7.812 53.058 1.00 0.00 H new ATOM 0 HA2 GLY B 52 81.068 -7.485 50.410 1.00 0.00 H new ATOM 0 HA3 GLY B 52 79.394 -6.968 50.405 1.00 0.00 H new ATOM 1630 N GLN B 53 81.795 -5.766 52.365 1.00 0.00 N ATOM 1631 CA GLN B 53 82.246 -4.498 53.013 1.00 0.00 C ATOM 1632 C GLN B 53 82.993 -3.647 51.985 1.00 0.00 C ATOM 1633 O GLN B 53 83.803 -4.143 51.227 1.00 0.00 O ATOM 1634 CB GLN B 53 83.180 -4.819 54.183 1.00 0.00 C ATOM 1635 CG GLN B 53 82.390 -5.494 55.308 1.00 0.00 C ATOM 1636 CD GLN B 53 81.387 -4.501 55.903 1.00 0.00 C ATOM 1637 OE1 GLN B 53 81.744 -3.395 56.259 1.00 0.00 O ATOM 1638 NE2 GLN B 53 80.135 -4.851 56.020 1.00 0.00 N ATOM 0 H GLN B 53 82.420 -6.562 52.488 1.00 0.00 H new ATOM 0 HA GLN B 53 81.379 -3.952 53.385 1.00 0.00 H new ATOM 0 HB2 GLN B 53 83.985 -5.473 53.849 1.00 0.00 H new ATOM 0 HB3 GLN B 53 83.645 -3.904 54.551 1.00 0.00 H new ATOM 0 HG2 GLN B 53 81.866 -6.369 54.923 1.00 0.00 H new ATOM 0 HG3 GLN B 53 83.071 -5.846 56.083 1.00 0.00 H new ATOM 0 HE21 GLN B 53 79.835 -5.779 55.721 1.00 0.00 H new ATOM 0 HE22 GLN B 53 79.457 -4.197 56.410 1.00 0.00 H new ATOM 1647 N VAL B 54 82.727 -2.366 51.956 1.00 0.00 N ATOM 1648 CA VAL B 54 83.414 -1.459 50.983 1.00 0.00 C ATOM 1649 C VAL B 54 84.438 -0.594 51.722 1.00 0.00 C ATOM 1650 O VAL B 54 84.151 -0.028 52.758 1.00 0.00 O ATOM 1651 CB VAL B 54 82.373 -0.556 50.318 1.00 0.00 C ATOM 1652 CG1 VAL B 54 81.365 -1.417 49.549 1.00 0.00 C ATOM 1653 CG2 VAL B 54 81.642 0.257 51.392 1.00 0.00 C ATOM 0 H VAL B 54 82.057 -1.904 52.570 1.00 0.00 H new ATOM 0 HA VAL B 54 83.924 -2.055 50.226 1.00 0.00 H new ATOM 0 HB VAL B 54 82.870 0.123 49.625 1.00 0.00 H new ATOM 0 HG11 VAL B 54 80.624 -0.774 49.075 1.00 0.00 H new ATOM 0 HG12 VAL B 54 81.887 -1.993 48.785 1.00 0.00 H new ATOM 0 HG13 VAL B 54 80.867 -2.098 50.239 1.00 0.00 H new ATOM 0 HG21 VAL B 54 80.900 0.901 50.919 1.00 0.00 H new ATOM 0 HG22 VAL B 54 81.145 -0.421 52.086 1.00 0.00 H new ATOM 0 HG23 VAL B 54 82.360 0.870 51.936 1.00 0.00 H new ATOM 1663 N ASP B 55 85.630 -0.483 51.197 1.00 0.00 N ATOM 1664 CA ASP B 55 86.671 0.352 51.868 1.00 0.00 C ATOM 1665 C ASP B 55 87.628 0.914 50.812 1.00 0.00 C ATOM 1666 O ASP B 55 87.557 2.103 50.548 1.00 0.00 O ATOM 1667 CB ASP B 55 87.458 -0.505 52.862 1.00 0.00 C ATOM 1668 CG ASP B 55 88.308 0.403 53.753 1.00 0.00 C ATOM 1669 OD1 ASP B 55 88.477 1.558 53.398 1.00 0.00 O ATOM 1670 OD2 ASP B 55 88.775 -0.072 54.775 1.00 0.00 O ATOM 1671 OXT ASP B 55 88.413 0.144 50.284 1.00 0.00 O ATOM 0 H ASP B 55 85.928 -0.934 50.332 1.00 0.00 H new ATOM 0 HA ASP B 55 86.189 1.172 52.401 1.00 0.00 H new ATOM 0 HB2 ASP B 55 86.774 -1.095 53.472 1.00 0.00 H new ATOM 0 HB3 ASP B 55 88.096 -1.209 52.327 1.00 0.00 H new TER 1676 ASP B 55 HETATM 1677 CD CD A 56 79.623 -1.739 35.467 1.00 0.00 CD HETATM 1678 CD CD B 56 90.323 -21.480 38.740 1.00 0.00 CD