USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=28 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 : amide:sc= -1.23 X(o=-1.2,f=-1.1) USER MOD Set 1.2: B 44 GLN : amide:sc= 0 X(o=-1.2,f=-1.1) USER MOD Single : A 1 PHE N :NH3+ 151:sc= 0.983 (180deg=0.409) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN :FLIP amide:sc= -0.0128 F(o=-1.2,f=-0.013) USER MOD Single : A 14 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0709) USER MOD Single : A 15 TYR OH : rot -8:sc= 0.375 USER MOD Single : A 16 HIS : no HE2:sc= -0.618 K(o=-0.62,f=-1.3) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.0537 K(o=-0.054,f=-1.9!) USER MOD Single : A 22 MET CE :methyl -161:sc= -0.133 (180deg=-1.31!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.31 X(o=-0.31,f=0) USER MOD Single : A 34 LYS NZ :NH3+ -163:sc= -0.0123 (180deg=-0.217) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -159:sc= -0.101 (180deg=-0.673) USER MOD Single : A 46 LYS NZ :NH3+ -166:sc= -0.743 (180deg=-1.11) USER MOD Single : A 50 MET CE :methyl 154:sc= -0.156 (180deg=-0.931) USER MOD Single : A 51 HIS :FLIP no HD1:sc= -0.376 F(o=-1.9!,f=-0.38) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : B 1 PHE N :NH3+ 149:sc= 1.04 (180deg=0.395) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 GLN :FLIP amide:sc= -0.014 F(o=-1.2,f=-0.014) USER MOD Single : B 14 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0676) USER MOD Single : B 15 TYR OH : rot -10:sc= 0.389 USER MOD Single : B 16 HIS : no HE2:sc= -0.66 K(o=-0.66,f=-1.4) USER MOD Single : B 17 SER OG : rot 180:sc= 0 USER MOD Single : B 18 ASN : amide:sc= -0.0196 K(o=-0.02,f=-1.8!) USER MOD Single : B 22 MET CE :methyl -160:sc= -0.193 (180deg=-1.42!) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= -0.314 X(o=-0.31,f=0) USER MOD Single : B 34 LYS NZ :NH3+ -164:sc= -0.0103 (180deg=-0.211) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 42 LYS NZ :NH3+ -158:sc= -0.113 (180deg=-0.747) USER MOD Single : B 46 LYS NZ :NH3+ -172:sc= -1.2 (180deg=-1.51) USER MOD Single : B 50 MET CE :methyl 154:sc= -0.133 (180deg=-0.865) USER MOD Single : B 51 HIS :FLIP no HD1:sc= -0.378 F(o=-2.2!,f=-0.38) USER MOD Single : B 53 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 95.242 -4.808 23.872 1.00 0.00 N ATOM 2 CA PHE A 1 94.969 -4.060 25.131 1.00 0.00 C ATOM 3 C PHE A 1 95.161 -2.568 24.878 1.00 0.00 C ATOM 4 O PHE A 1 96.268 -2.080 24.755 1.00 0.00 O ATOM 5 CB PHE A 1 95.924 -4.543 26.224 1.00 0.00 C ATOM 6 CG PHE A 1 96.078 -6.046 26.121 1.00 0.00 C ATOM 7 CD1 PHE A 1 94.998 -6.885 26.429 1.00 0.00 C ATOM 8 CD2 PHE A 1 97.297 -6.601 25.707 1.00 0.00 C ATOM 9 CE1 PHE A 1 95.139 -8.275 26.328 1.00 0.00 C ATOM 10 CE2 PHE A 1 97.435 -7.992 25.606 1.00 0.00 C ATOM 11 CZ PHE A 1 96.357 -8.827 25.919 1.00 0.00 C ATOM 0 H1 PHE A 1 95.595 -5.759 24.103 1.00 0.00 H new ATOM 0 H2 PHE A 1 94.365 -4.889 23.319 1.00 0.00 H new ATOM 0 H3 PHE A 1 95.957 -4.299 23.314 1.00 0.00 H new ATOM 0 HA PHE A 1 93.944 -4.236 25.457 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.894 -4.058 26.117 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.539 -4.271 27.207 1.00 0.00 H new ATOM 0 HD1 PHE A 1 94.057 -6.459 26.744 1.00 0.00 H new ATOM 0 HD2 PHE A 1 98.130 -5.957 25.466 1.00 0.00 H new ATOM 0 HE1 PHE A 1 94.307 -8.921 26.566 1.00 0.00 H new ATOM 0 HE2 PHE A 1 98.374 -8.420 25.286 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.466 -9.899 25.845 1.00 0.00 H new ATOM 23 N LEU A 2 94.079 -1.845 24.774 1.00 0.00 N ATOM 24 CA LEU A 2 94.162 -0.380 24.500 1.00 0.00 C ATOM 25 C LEU A 2 93.974 0.419 25.779 1.00 0.00 C ATOM 26 O LEU A 2 93.180 0.082 26.625 1.00 0.00 O ATOM 27 CB LEU A 2 93.073 0.007 23.497 1.00 0.00 C ATOM 28 CG LEU A 2 93.213 -0.838 22.226 1.00 0.00 C ATOM 29 CD1 LEU A 2 92.111 -0.446 21.237 1.00 0.00 C ATOM 30 CD2 LEU A 2 94.594 -0.602 21.585 1.00 0.00 C ATOM 0 H LEU A 2 93.131 -2.210 24.868 1.00 0.00 H new ATOM 0 HA LEU A 2 95.147 -0.156 24.091 1.00 0.00 H new ATOM 0 HB2 LEU A 2 92.088 -0.145 23.939 1.00 0.00 H new ATOM 0 HB3 LEU A 2 93.152 1.066 23.251 1.00 0.00 H new ATOM 0 HG LEU A 2 93.119 -1.893 22.481 1.00 0.00 H new ATOM 0 HD11 LEU A 2 92.206 -1.044 20.331 1.00 0.00 H new ATOM 0 HD12 LEU A 2 91.136 -0.625 21.689 1.00 0.00 H new ATOM 0 HD13 LEU A 2 92.206 0.610 20.986 1.00 0.00 H new ATOM 0 HD21 LEU A 2 94.684 -1.207 20.683 1.00 0.00 H new ATOM 0 HD22 LEU A 2 94.700 0.452 21.328 1.00 0.00 H new ATOM 0 HD23 LEU A 2 95.376 -0.884 22.290 1.00 0.00 H new ATOM 42 N ASP A 3 94.690 1.498 25.905 1.00 0.00 N ATOM 43 CA ASP A 3 94.552 2.352 27.111 1.00 0.00 C ATOM 44 C ASP A 3 93.107 2.836 27.187 1.00 0.00 C ATOM 45 O ASP A 3 92.515 2.895 28.246 1.00 0.00 O ATOM 46 CB ASP A 3 95.498 3.551 27.008 1.00 0.00 C ATOM 47 CG ASP A 3 96.943 3.072 27.156 1.00 0.00 C ATOM 48 OD1 ASP A 3 97.135 1.993 27.691 1.00 0.00 O ATOM 49 OD2 ASP A 3 97.833 3.794 26.738 1.00 0.00 O ATOM 0 H ASP A 3 95.369 1.826 25.219 1.00 0.00 H new ATOM 0 HA ASP A 3 94.807 1.785 28.007 1.00 0.00 H new ATOM 0 HB2 ASP A 3 95.366 4.051 26.049 1.00 0.00 H new ATOM 0 HB3 ASP A 3 95.264 4.281 27.783 1.00 0.00 H new ATOM 54 N GLY A 4 92.527 3.169 26.062 1.00 0.00 N ATOM 55 CA GLY A 4 91.108 3.631 26.053 1.00 0.00 C ATOM 56 C GLY A 4 90.264 2.684 26.914 1.00 0.00 C ATOM 57 O GLY A 4 89.158 2.998 27.304 1.00 0.00 O ATOM 0 H GLY A 4 92.977 3.140 25.147 1.00 0.00 H new ATOM 0 HA2 GLY A 4 91.042 4.648 26.438 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.726 3.651 25.032 1.00 0.00 H new ATOM 61 N ILE A 5 90.799 1.535 27.230 1.00 0.00 N ATOM 62 CA ILE A 5 90.057 0.568 28.085 1.00 0.00 C ATOM 63 C ILE A 5 89.767 1.234 29.431 1.00 0.00 C ATOM 64 O ILE A 5 88.724 1.036 30.022 1.00 0.00 O ATOM 65 CB ILE A 5 90.914 -0.695 28.274 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.869 -1.524 26.988 1.00 0.00 C ATOM 67 CG2 ILE A 5 90.380 -1.530 29.445 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.932 -2.624 27.043 1.00 0.00 C ATOM 0 H ILE A 5 91.723 1.225 26.930 1.00 0.00 H new ATOM 0 HA ILE A 5 89.115 0.281 27.619 1.00 0.00 H new ATOM 0 HB ILE A 5 91.941 -0.404 28.494 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.881 -1.967 26.864 1.00 0.00 H new ATOM 0 HG13 ILE A 5 91.041 -0.882 26.124 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.996 -2.421 29.567 1.00 0.00 H new ATOM 0 HG22 ILE A 5 90.413 -0.938 30.359 1.00 0.00 H new ATOM 0 HG23 ILE A 5 89.351 -1.826 29.241 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.896 -3.211 26.125 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.918 -2.172 27.146 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.740 -3.273 27.897 1.00 0.00 H new ATOM 80 N ASP A 6 90.675 2.034 29.909 1.00 0.00 N ATOM 81 CA ASP A 6 90.449 2.729 31.204 1.00 0.00 C ATOM 82 C ASP A 6 89.198 3.599 31.074 1.00 0.00 C ATOM 83 O ASP A 6 88.403 3.709 31.985 1.00 0.00 O ATOM 84 CB ASP A 6 91.661 3.606 31.533 1.00 0.00 C ATOM 85 CG ASP A 6 92.855 2.714 31.880 1.00 0.00 C ATOM 86 OD1 ASP A 6 92.628 1.592 32.303 1.00 0.00 O ATOM 87 OD2 ASP A 6 93.975 3.169 31.720 1.00 0.00 O ATOM 0 H ASP A 6 91.567 2.237 29.458 1.00 0.00 H new ATOM 0 HA ASP A 6 90.314 2.001 32.004 1.00 0.00 H new ATOM 0 HB2 ASP A 6 91.904 4.243 30.683 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.430 4.265 32.370 1.00 0.00 H new ATOM 92 N LYS A 7 89.019 4.211 29.937 1.00 0.00 N ATOM 93 CA LYS A 7 87.820 5.069 29.723 1.00 0.00 C ATOM 94 C LYS A 7 86.558 4.206 29.820 1.00 0.00 C ATOM 95 O LYS A 7 85.558 4.613 30.374 1.00 0.00 O ATOM 96 CB LYS A 7 87.903 5.713 28.336 1.00 0.00 C ATOM 97 CG LYS A 7 86.742 6.695 28.149 1.00 0.00 C ATOM 98 CD LYS A 7 86.827 7.350 26.761 1.00 0.00 C ATOM 99 CE LYS A 7 87.907 8.442 26.749 1.00 0.00 C ATOM 100 NZ LYS A 7 87.768 9.262 25.512 1.00 0.00 N ATOM 0 H LYS A 7 89.655 4.153 29.142 1.00 0.00 H new ATOM 0 HA LYS A 7 87.782 5.850 30.482 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.854 6.234 28.223 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.868 4.943 27.565 1.00 0.00 H new ATOM 0 HG2 LYS A 7 85.792 6.172 28.256 1.00 0.00 H new ATOM 0 HG3 LYS A 7 86.774 7.461 28.924 1.00 0.00 H new ATOM 0 HD2 LYS A 7 87.056 6.595 26.009 1.00 0.00 H new ATOM 0 HD3 LYS A 7 85.862 7.781 26.496 1.00 0.00 H new ATOM 0 HE2 LYS A 7 87.810 9.075 27.631 1.00 0.00 H new ATOM 0 HE3 LYS A 7 88.898 7.990 26.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 88.499 10.002 25.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 87.881 8.653 24.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 86.827 9.704 25.493 1.00 0.00 H new ATOM 114 N ALA A 8 86.597 3.016 29.282 1.00 0.00 N ATOM 115 CA ALA A 8 85.401 2.126 29.336 1.00 0.00 C ATOM 116 C ALA A 8 85.020 1.849 30.797 1.00 0.00 C ATOM 117 O ALA A 8 83.856 1.754 31.132 1.00 0.00 O ATOM 118 CB ALA A 8 85.723 0.804 28.637 1.00 0.00 C ATOM 0 H ALA A 8 87.408 2.621 28.806 1.00 0.00 H new ATOM 0 HA ALA A 8 84.566 2.616 28.835 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.851 0.151 28.674 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.987 0.997 27.597 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.560 0.321 29.140 1.00 0.00 H new ATOM 124 N GLN A 9 85.985 1.710 31.667 1.00 0.00 N ATOM 125 CA GLN A 9 85.659 1.430 33.097 1.00 0.00 C ATOM 126 C GLN A 9 84.811 2.568 33.670 1.00 0.00 C ATOM 127 O GLN A 9 83.885 2.348 34.424 1.00 0.00 O ATOM 128 CB GLN A 9 86.950 1.341 33.913 1.00 0.00 C ATOM 129 CG GLN A 9 87.719 0.076 33.544 1.00 0.00 C ATOM 130 CD GLN A 9 89.001 0.014 34.374 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.870 0.983 34.279 1.00 0.00 O flip ATOM 132 NE2 GLN A 9 89.208 -0.917 35.125 1.00 0.00 N flip ATOM 0 H GLN A 9 86.980 1.778 31.452 1.00 0.00 H new ATOM 0 HA GLN A 9 85.111 0.489 33.151 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.568 2.219 33.726 1.00 0.00 H new ATOM 0 HB3 GLN A 9 86.717 1.336 34.978 1.00 0.00 H new ATOM 0 HG2 GLN A 9 87.106 -0.806 33.731 1.00 0.00 H new ATOM 0 HG3 GLN A 9 87.958 0.077 32.481 1.00 0.00 H new ATOM 0 HE21 GLN A 9 88.528 -1.674 35.199 1.00 0.00 H new ATOM 0 HE22 GLN A 9 90.062 -0.942 35.683 1.00 0.00 H new ATOM 141 N GLU A 10 85.135 3.783 33.329 1.00 0.00 N ATOM 142 CA GLU A 10 84.369 4.946 33.863 1.00 0.00 C ATOM 143 C GLU A 10 82.898 4.859 33.446 1.00 0.00 C ATOM 144 O GLU A 10 82.010 5.153 34.221 1.00 0.00 O ATOM 145 CB GLU A 10 84.987 6.230 33.313 1.00 0.00 C ATOM 146 CG GLU A 10 86.358 6.438 33.958 1.00 0.00 C ATOM 147 CD GLU A 10 86.995 7.716 33.411 1.00 0.00 C ATOM 148 OE1 GLU A 10 86.453 8.269 32.469 1.00 0.00 O ATOM 149 OE2 GLU A 10 88.015 8.120 33.945 1.00 0.00 O ATOM 0 H GLU A 10 85.901 4.023 32.700 1.00 0.00 H new ATOM 0 HA GLU A 10 84.416 4.942 34.952 1.00 0.00 H new ATOM 0 HB2 GLU A 10 85.086 6.166 32.229 1.00 0.00 H new ATOM 0 HB3 GLU A 10 84.339 7.080 33.524 1.00 0.00 H new ATOM 0 HG2 GLU A 10 86.255 6.506 35.041 1.00 0.00 H new ATOM 0 HG3 GLU A 10 87.001 5.582 33.752 1.00 0.00 H new ATOM 156 N GLU A 11 82.633 4.458 32.230 1.00 0.00 N ATOM 157 CA GLU A 11 81.215 4.351 31.755 1.00 0.00 C ATOM 158 C GLU A 11 80.751 2.892 31.806 1.00 0.00 C ATOM 159 O GLU A 11 79.753 2.531 31.218 1.00 0.00 O ATOM 160 CB GLU A 11 81.113 4.875 30.319 1.00 0.00 C ATOM 161 CG GLU A 11 81.307 6.396 30.308 1.00 0.00 C ATOM 162 CD GLU A 11 82.760 6.734 30.636 1.00 0.00 C ATOM 163 OE1 GLU A 11 83.619 5.929 30.324 1.00 0.00 O ATOM 164 OE2 GLU A 11 82.989 7.796 31.194 1.00 0.00 O ATOM 0 H GLU A 11 83.338 4.198 31.540 1.00 0.00 H new ATOM 0 HA GLU A 11 80.576 4.948 32.406 1.00 0.00 H new ATOM 0 HB2 GLU A 11 81.867 4.398 29.693 1.00 0.00 H new ATOM 0 HB3 GLU A 11 80.141 4.620 29.897 1.00 0.00 H new ATOM 0 HG2 GLU A 11 81.042 6.799 29.330 1.00 0.00 H new ATOM 0 HG3 GLU A 11 80.642 6.862 31.035 1.00 0.00 H new ATOM 171 N CYS A 12 81.459 2.047 32.508 1.00 0.00 N ATOM 172 CA CYS A 12 81.039 0.617 32.593 1.00 0.00 C ATOM 173 C CYS A 12 79.551 0.544 32.952 1.00 0.00 C ATOM 174 O CYS A 12 78.799 -0.229 32.390 1.00 0.00 O ATOM 175 CB CYS A 12 81.853 -0.086 33.681 1.00 0.00 C ATOM 176 SG CYS A 12 81.286 -1.797 33.854 1.00 0.00 S ATOM 0 H CYS A 12 82.306 2.283 33.024 1.00 0.00 H new ATOM 0 HA CYS A 12 81.209 0.130 31.633 1.00 0.00 H new ATOM 0 HB2 CYS A 12 82.913 -0.067 33.426 1.00 0.00 H new ATOM 0 HB3 CYS A 12 81.744 0.441 34.629 1.00 0.00 H new ATOM 181 N GLU A 13 79.132 1.343 33.891 1.00 0.00 N ATOM 182 CA GLU A 13 77.702 1.338 34.314 1.00 0.00 C ATOM 183 C GLU A 13 76.799 1.699 33.128 1.00 0.00 C ATOM 184 O GLU A 13 75.688 1.221 33.016 1.00 0.00 O ATOM 185 CB GLU A 13 77.508 2.360 35.439 1.00 0.00 C ATOM 186 CG GLU A 13 76.058 2.323 35.926 1.00 0.00 C ATOM 187 CD GLU A 13 75.882 3.324 37.069 1.00 0.00 C ATOM 188 OE1 GLU A 13 76.880 3.864 37.514 1.00 0.00 O ATOM 189 OE2 GLU A 13 74.752 3.533 37.477 1.00 0.00 O ATOM 0 H GLU A 13 79.724 2.007 34.390 1.00 0.00 H new ATOM 0 HA GLU A 13 77.434 0.343 34.669 1.00 0.00 H new ATOM 0 HB2 GLU A 13 78.185 2.139 36.265 1.00 0.00 H new ATOM 0 HB3 GLU A 13 77.756 3.360 35.082 1.00 0.00 H new ATOM 0 HG2 GLU A 13 75.381 2.566 35.107 1.00 0.00 H new ATOM 0 HG3 GLU A 13 75.801 1.319 36.264 1.00 0.00 H new ATOM 196 N LYS A 14 77.256 2.556 32.259 1.00 0.00 N ATOM 197 CA LYS A 14 76.413 2.969 31.098 1.00 0.00 C ATOM 198 C LYS A 14 76.066 1.742 30.251 1.00 0.00 C ATOM 199 O LYS A 14 74.963 1.613 29.757 1.00 0.00 O ATOM 200 CB LYS A 14 77.183 3.990 30.252 1.00 0.00 C ATOM 201 CG LYS A 14 76.351 4.447 29.040 1.00 0.00 C ATOM 202 CD LYS A 14 75.065 5.150 29.502 1.00 0.00 C ATOM 203 CE LYS A 14 74.492 5.991 28.356 1.00 0.00 C ATOM 204 NZ LYS A 14 74.075 5.091 27.243 1.00 0.00 N ATOM 0 H LYS A 14 78.178 2.990 32.301 1.00 0.00 H new ATOM 0 HA LYS A 14 75.489 3.422 31.458 1.00 0.00 H new ATOM 0 HB2 LYS A 14 77.442 4.853 30.865 1.00 0.00 H new ATOM 0 HB3 LYS A 14 78.119 3.550 29.909 1.00 0.00 H new ATOM 0 HG2 LYS A 14 76.940 5.124 28.422 1.00 0.00 H new ATOM 0 HG3 LYS A 14 76.099 3.587 28.420 1.00 0.00 H new ATOM 0 HD2 LYS A 14 74.332 4.411 29.825 1.00 0.00 H new ATOM 0 HD3 LYS A 14 75.276 5.786 30.362 1.00 0.00 H new ATOM 0 HE2 LYS A 14 73.639 6.572 28.708 1.00 0.00 H new ATOM 0 HE3 LYS A 14 75.239 6.702 28.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 73.549 5.639 26.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 74.918 4.670 26.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 73.466 4.335 27.617 1.00 0.00 H new ATOM 218 N TYR A 15 76.990 0.837 30.073 1.00 0.00 N ATOM 219 CA TYR A 15 76.694 -0.374 29.255 1.00 0.00 C ATOM 220 C TYR A 15 76.037 -1.429 30.147 1.00 0.00 C ATOM 221 O TYR A 15 75.436 -2.370 29.670 1.00 0.00 O ATOM 222 CB TYR A 15 77.995 -0.933 28.677 1.00 0.00 C ATOM 223 CG TYR A 15 78.635 0.102 27.784 1.00 0.00 C ATOM 224 CD1 TYR A 15 78.302 0.155 26.425 1.00 0.00 C ATOM 225 CD2 TYR A 15 79.562 1.007 28.313 1.00 0.00 C ATOM 226 CE1 TYR A 15 78.895 1.114 25.597 1.00 0.00 C ATOM 227 CE2 TYR A 15 80.156 1.967 27.483 1.00 0.00 C ATOM 228 CZ TYR A 15 79.822 2.020 26.124 1.00 0.00 C ATOM 229 OH TYR A 15 80.409 2.965 25.306 1.00 0.00 O ATOM 0 H TYR A 15 77.934 0.883 30.457 1.00 0.00 H new ATOM 0 HA TYR A 15 76.022 -0.111 28.438 1.00 0.00 H new ATOM 0 HB2 TYR A 15 78.676 -1.204 29.483 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.793 -1.842 28.111 1.00 0.00 H new ATOM 0 HD1 TYR A 15 77.588 -0.544 26.016 1.00 0.00 H new ATOM 0 HD2 TYR A 15 79.820 0.966 29.361 1.00 0.00 H new ATOM 0 HE1 TYR A 15 78.637 1.155 24.549 1.00 0.00 H new ATOM 0 HE2 TYR A 15 80.871 2.666 27.891 1.00 0.00 H new ATOM 0 HH TYR A 15 80.171 2.783 24.373 1.00 0.00 H new ATOM 239 N HIS A 16 76.143 -1.270 31.441 1.00 0.00 N ATOM 240 CA HIS A 16 75.518 -2.247 32.380 1.00 0.00 C ATOM 241 C HIS A 16 76.044 -3.657 32.095 1.00 0.00 C ATOM 242 O HIS A 16 77.232 -3.872 31.963 1.00 0.00 O ATOM 243 CB HIS A 16 73.992 -2.206 32.238 1.00 0.00 C ATOM 244 CG HIS A 16 73.492 -0.843 32.629 1.00 0.00 C ATOM 245 ND1 HIS A 16 73.348 0.187 31.710 1.00 0.00 N ATOM 246 CD2 HIS A 16 73.105 -0.323 33.841 1.00 0.00 C ATOM 247 CE1 HIS A 16 72.893 1.266 32.377 1.00 0.00 C ATOM 248 NE2 HIS A 16 72.729 1.005 33.676 1.00 0.00 N ATOM 0 H HIS A 16 76.639 -0.500 31.890 1.00 0.00 H new ATOM 0 HA HIS A 16 75.781 -1.978 33.403 1.00 0.00 H new ATOM 0 HB2 HIS A 16 73.705 -2.430 31.211 1.00 0.00 H new ATOM 0 HB3 HIS A 16 73.536 -2.968 32.870 1.00 0.00 H new ATOM 0 HD1 HIS A 16 73.550 0.137 30.711 1.00 0.00 H new ATOM 0 HD2 HIS A 16 73.095 -0.863 34.777 1.00 0.00 H new ATOM 0 HE1 HIS A 16 72.687 2.222 31.918 1.00 0.00 H new ATOM 257 N SER A 17 75.169 -4.622 32.013 1.00 0.00 N ATOM 258 CA SER A 17 75.609 -6.023 31.752 1.00 0.00 C ATOM 259 C SER A 17 75.810 -6.242 30.255 1.00 0.00 C ATOM 260 O SER A 17 76.281 -7.277 29.828 1.00 0.00 O ATOM 261 CB SER A 17 74.536 -6.981 32.251 1.00 0.00 C ATOM 262 OG SER A 17 73.376 -6.852 31.440 1.00 0.00 O ATOM 0 H SER A 17 74.162 -4.500 32.116 1.00 0.00 H new ATOM 0 HA SER A 17 76.551 -6.204 32.271 1.00 0.00 H new ATOM 0 HB2 SER A 17 74.904 -8.006 32.218 1.00 0.00 H new ATOM 0 HB3 SER A 17 74.293 -6.763 33.291 1.00 0.00 H new ATOM 0 HG SER A 17 72.684 -7.469 31.758 1.00 0.00 H new ATOM 268 N ASN A 18 75.442 -5.288 29.454 1.00 0.00 N ATOM 269 CA ASN A 18 75.600 -5.458 27.981 1.00 0.00 C ATOM 270 C ASN A 18 77.055 -5.219 27.581 1.00 0.00 C ATOM 271 O ASN A 18 77.399 -4.191 27.031 1.00 0.00 O ATOM 272 CB ASN A 18 74.715 -4.453 27.245 1.00 0.00 C ATOM 273 CG ASN A 18 73.246 -4.830 27.421 1.00 0.00 C ATOM 274 OD1 ASN A 18 72.930 -5.959 27.742 1.00 0.00 O ATOM 275 ND2 ASN A 18 72.328 -3.930 27.204 1.00 0.00 N ATOM 0 H ASN A 18 75.039 -4.399 29.750 1.00 0.00 H new ATOM 0 HA ASN A 18 75.308 -6.473 27.714 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.891 -3.449 27.631 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.971 -4.437 26.186 1.00 0.00 H new ATOM 0 HD21 ASN A 18 71.342 -4.173 27.304 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.596 -2.983 26.935 1.00 0.00 H new ATOM 282 N TRP A 19 77.912 -6.167 27.839 1.00 0.00 N ATOM 283 CA TRP A 19 79.342 -6.003 27.459 1.00 0.00 C ATOM 284 C TRP A 19 79.473 -6.061 25.933 1.00 0.00 C ATOM 285 O TRP A 19 80.416 -5.554 25.359 1.00 0.00 O ATOM 286 CB TRP A 19 80.166 -7.126 28.092 1.00 0.00 C ATOM 287 CG TRP A 19 79.636 -8.450 27.644 1.00 0.00 C ATOM 288 CD1 TRP A 19 78.709 -9.180 28.306 1.00 0.00 C ATOM 289 CD2 TRP A 19 79.977 -9.206 26.447 1.00 0.00 C ATOM 290 NE1 TRP A 19 78.466 -10.342 27.594 1.00 0.00 N ATOM 291 CE2 TRP A 19 79.223 -10.402 26.440 1.00 0.00 C ATOM 292 CE3 TRP A 19 80.860 -8.971 25.378 1.00 0.00 C ATOM 293 CZ2 TRP A 19 79.341 -11.335 25.408 1.00 0.00 C ATOM 294 CZ3 TRP A 19 80.982 -9.906 24.338 1.00 0.00 C ATOM 295 CH2 TRP A 19 80.224 -11.086 24.353 1.00 0.00 C ATOM 0 H TRP A 19 77.683 -7.049 28.297 1.00 0.00 H new ATOM 0 HA TRP A 19 79.709 -5.041 27.815 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.214 -7.027 27.807 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.123 -7.054 29.179 1.00 0.00 H new ATOM 0 HD1 TRP A 19 78.237 -8.902 29.237 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.809 -11.065 27.886 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.448 -8.065 25.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.755 -12.242 25.425 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 81.663 -9.716 23.522 1.00 0.00 H new ATOM 0 HH2 TRP A 19 80.322 -11.802 23.550 1.00 0.00 H new ATOM 306 N ARG A 20 78.533 -6.683 25.274 1.00 0.00 N ATOM 307 CA ARG A 20 78.598 -6.786 23.788 1.00 0.00 C ATOM 308 C ARG A 20 78.592 -5.388 23.167 1.00 0.00 C ATOM 309 O ARG A 20 79.290 -5.121 22.208 1.00 0.00 O ATOM 310 CB ARG A 20 77.383 -7.566 23.282 1.00 0.00 C ATOM 311 CG ARG A 20 77.512 -9.036 23.687 1.00 0.00 C ATOM 312 CD ARG A 20 76.296 -9.817 23.180 1.00 0.00 C ATOM 313 NE ARG A 20 76.388 -11.229 23.649 1.00 0.00 N ATOM 314 CZ ARG A 20 75.345 -12.012 23.580 1.00 0.00 C ATOM 315 NH1 ARG A 20 74.226 -11.568 23.076 1.00 0.00 N ATOM 316 NH2 ARG A 20 75.424 -13.242 24.010 1.00 0.00 N ATOM 0 H ARG A 20 77.720 -7.126 25.703 1.00 0.00 H new ATOM 0 HA ARG A 20 79.515 -7.302 23.505 1.00 0.00 H new ATOM 0 HB2 ARG A 20 76.468 -7.143 23.697 1.00 0.00 H new ATOM 0 HB3 ARG A 20 77.310 -7.482 22.198 1.00 0.00 H new ATOM 0 HG2 ARG A 20 78.427 -9.459 23.273 1.00 0.00 H new ATOM 0 HG3 ARG A 20 77.585 -9.120 24.771 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.377 -9.359 23.546 1.00 0.00 H new ATOM 0 HD3 ARG A 20 76.257 -9.785 22.091 1.00 0.00 H new ATOM 0 HE ARG A 20 77.267 -11.584 24.025 1.00 0.00 H new ATOM 0 HH11 ARG A 20 74.165 -10.608 22.735 1.00 0.00 H new ATOM 0 HH12 ARG A 20 73.412 -12.181 23.023 1.00 0.00 H new ATOM 0 HH21 ARG A 20 76.300 -13.591 24.399 1.00 0.00 H new ATOM 0 HH22 ARG A 20 74.610 -13.854 23.957 1.00 0.00 H new ATOM 330 N ALA A 21 77.806 -4.495 23.699 1.00 0.00 N ATOM 331 CA ALA A 21 77.748 -3.118 23.133 1.00 0.00 C ATOM 332 C ALA A 21 79.100 -2.424 23.332 1.00 0.00 C ATOM 333 O ALA A 21 79.580 -1.719 22.467 1.00 0.00 O ATOM 334 CB ALA A 21 76.647 -2.323 23.849 1.00 0.00 C ATOM 0 H ALA A 21 77.200 -4.659 24.503 1.00 0.00 H new ATOM 0 HA ALA A 21 77.525 -3.169 22.067 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.601 -1.314 23.438 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.687 -2.819 23.703 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.870 -2.271 24.915 1.00 0.00 H new ATOM 340 N MET A 22 79.714 -2.618 24.465 1.00 0.00 N ATOM 341 CA MET A 22 81.033 -1.972 24.721 1.00 0.00 C ATOM 342 C MET A 22 82.061 -2.472 23.701 1.00 0.00 C ATOM 343 O MET A 22 82.850 -1.712 23.174 1.00 0.00 O ATOM 344 CB MET A 22 81.500 -2.341 26.129 1.00 0.00 C ATOM 345 CG MET A 22 82.665 -1.438 26.548 1.00 0.00 C ATOM 346 SD MET A 22 83.570 -2.214 27.911 1.00 0.00 S ATOM 347 CE MET A 22 82.144 -2.634 28.941 1.00 0.00 C ATOM 0 H MET A 22 79.360 -3.197 25.227 1.00 0.00 H new ATOM 0 HA MET A 22 80.934 -0.890 24.631 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.675 -2.235 26.834 1.00 0.00 H new ATOM 0 HB3 MET A 22 81.811 -3.385 26.156 1.00 0.00 H new ATOM 0 HG2 MET A 22 83.332 -1.271 25.702 1.00 0.00 H new ATOM 0 HG3 MET A 22 82.290 -0.462 26.855 1.00 0.00 H new ATOM 0 HE1 MET A 22 82.474 -2.812 29.965 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.430 -1.810 28.928 1.00 0.00 H new ATOM 0 HE3 MET A 22 81.667 -3.534 28.552 1.00 0.00 H new ATOM 357 N ALA A 23 82.058 -3.747 23.421 1.00 0.00 N ATOM 358 CA ALA A 23 83.032 -4.305 22.441 1.00 0.00 C ATOM 359 C ALA A 23 82.833 -3.636 21.079 1.00 0.00 C ATOM 360 O ALA A 23 83.777 -3.342 20.373 1.00 0.00 O ATOM 361 CB ALA A 23 82.805 -5.813 22.308 1.00 0.00 C ATOM 0 H ALA A 23 81.420 -4.429 23.831 1.00 0.00 H new ATOM 0 HA ALA A 23 84.048 -4.116 22.789 1.00 0.00 H new ATOM 0 HB1 ALA A 23 83.515 -6.226 21.592 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.949 -6.289 23.278 1.00 0.00 H new ATOM 0 HB3 ALA A 23 81.789 -5.999 21.960 1.00 0.00 H new ATOM 367 N SER A 24 81.604 -3.413 20.698 1.00 0.00 N ATOM 368 CA SER A 24 81.326 -2.784 19.375 1.00 0.00 C ATOM 369 C SER A 24 81.837 -1.339 19.347 1.00 0.00 C ATOM 370 O SER A 24 82.368 -0.882 18.355 1.00 0.00 O ATOM 371 CB SER A 24 79.819 -2.794 19.116 1.00 0.00 C ATOM 372 OG SER A 24 79.563 -2.271 17.819 1.00 0.00 O ATOM 0 H SER A 24 80.777 -3.641 21.249 1.00 0.00 H new ATOM 0 HA SER A 24 81.841 -3.353 18.601 1.00 0.00 H new ATOM 0 HB2 SER A 24 79.431 -3.810 19.194 1.00 0.00 H new ATOM 0 HB3 SER A 24 79.305 -2.198 19.870 1.00 0.00 H new ATOM 0 HG SER A 24 78.598 -2.277 17.648 1.00 0.00 H new ATOM 378 N ASP A 25 81.672 -0.611 20.417 1.00 0.00 N ATOM 379 CA ASP A 25 82.139 0.808 20.427 1.00 0.00 C ATOM 380 C ASP A 25 83.666 0.864 20.424 1.00 0.00 C ATOM 381 O ASP A 25 84.260 1.689 19.760 1.00 0.00 O ATOM 382 CB ASP A 25 81.617 1.507 21.681 1.00 0.00 C ATOM 383 CG ASP A 25 80.105 1.705 21.567 1.00 0.00 C ATOM 384 OD1 ASP A 25 79.582 1.510 20.483 1.00 0.00 O ATOM 385 OD2 ASP A 25 79.496 2.049 22.566 1.00 0.00 O ATOM 0 H ASP A 25 81.237 -0.933 21.281 1.00 0.00 H new ATOM 0 HA ASP A 25 81.760 1.308 19.536 1.00 0.00 H new ATOM 0 HB2 ASP A 25 81.850 0.913 22.564 1.00 0.00 H new ATOM 0 HB3 ASP A 25 82.112 2.470 21.805 1.00 0.00 H new ATOM 390 N PHE A 26 84.306 -0.001 21.158 1.00 0.00 N ATOM 391 CA PHE A 26 85.801 0.002 21.196 1.00 0.00 C ATOM 392 C PHE A 26 86.342 -1.042 20.215 1.00 0.00 C ATOM 393 O PHE A 26 87.535 -1.185 20.042 1.00 0.00 O ATOM 394 CB PHE A 26 86.267 -0.322 22.618 1.00 0.00 C ATOM 395 CG PHE A 26 85.968 0.855 23.520 1.00 0.00 C ATOM 396 CD1 PHE A 26 84.714 0.970 24.135 1.00 0.00 C ATOM 397 CD2 PHE A 26 86.947 1.833 23.744 1.00 0.00 C ATOM 398 CE1 PHE A 26 84.439 2.061 24.970 1.00 0.00 C ATOM 399 CE2 PHE A 26 86.671 2.923 24.579 1.00 0.00 C ATOM 400 CZ PHE A 26 85.418 3.037 25.191 1.00 0.00 C ATOM 0 H PHE A 26 83.860 -0.713 21.736 1.00 0.00 H new ATOM 0 HA PHE A 26 86.176 0.984 20.908 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.760 -1.215 22.985 1.00 0.00 H new ATOM 0 HB3 PHE A 26 87.336 -0.537 22.623 1.00 0.00 H new ATOM 0 HD1 PHE A 26 83.959 0.217 23.965 1.00 0.00 H new ATOM 0 HD2 PHE A 26 87.915 1.746 23.272 1.00 0.00 H new ATOM 0 HE1 PHE A 26 83.472 2.149 25.443 1.00 0.00 H new ATOM 0 HE2 PHE A 26 87.426 3.676 24.751 1.00 0.00 H new ATOM 0 HZ PHE A 26 85.206 3.878 25.834 1.00 0.00 H new ATOM 410 N ASN A 27 85.468 -1.758 19.559 1.00 0.00 N ATOM 411 CA ASN A 27 85.923 -2.782 18.572 1.00 0.00 C ATOM 412 C ASN A 27 86.923 -3.741 19.227 1.00 0.00 C ATOM 413 O ASN A 27 87.934 -4.084 18.647 1.00 0.00 O ATOM 414 CB ASN A 27 86.586 -2.084 17.382 1.00 0.00 C ATOM 415 CG ASN A 27 85.577 -1.143 16.720 1.00 0.00 C ATOM 416 OD1 ASN A 27 85.882 0.003 16.453 1.00 0.00 O ATOM 417 ND2 ASN A 27 84.380 -1.581 16.445 1.00 0.00 N ATOM 0 H ASN A 27 84.457 -1.678 19.664 1.00 0.00 H new ATOM 0 HA ASN A 27 85.060 -3.352 18.228 1.00 0.00 H new ATOM 0 HB2 ASN A 27 87.459 -1.523 17.715 1.00 0.00 H new ATOM 0 HB3 ASN A 27 86.938 -2.823 16.662 1.00 0.00 H new ATOM 0 HD21 ASN A 27 83.699 -0.962 16.006 1.00 0.00 H new ATOM 0 HD22 ASN A 27 84.125 -2.543 16.669 1.00 0.00 H new ATOM 424 N LEU A 28 86.643 -4.180 20.432 1.00 0.00 N ATOM 425 CA LEU A 28 87.565 -5.126 21.145 1.00 0.00 C ATOM 426 C LEU A 28 86.863 -6.484 21.294 1.00 0.00 C ATOM 427 O LEU A 28 85.650 -6.545 21.352 1.00 0.00 O ATOM 428 CB LEU A 28 87.872 -4.563 22.536 1.00 0.00 C ATOM 429 CG LEU A 28 88.767 -3.319 22.412 1.00 0.00 C ATOM 430 CD1 LEU A 28 88.722 -2.523 23.721 1.00 0.00 C ATOM 431 CD2 LEU A 28 90.223 -3.729 22.110 1.00 0.00 C ATOM 0 H LEU A 28 85.808 -3.922 20.958 1.00 0.00 H new ATOM 0 HA LEU A 28 88.490 -5.247 20.582 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.944 -4.305 23.046 1.00 0.00 H new ATOM 0 HB3 LEU A 28 88.369 -5.320 23.143 1.00 0.00 H new ATOM 0 HG LEU A 28 88.398 -2.703 21.592 1.00 0.00 H new ATOM 0 HD11 LEU A 28 89.357 -1.641 23.633 1.00 0.00 H new ATOM 0 HD12 LEU A 28 87.697 -2.213 23.923 1.00 0.00 H new ATOM 0 HD13 LEU A 28 89.081 -3.148 24.539 1.00 0.00 H new ATOM 0 HD21 LEU A 28 90.842 -2.836 22.025 1.00 0.00 H new ATOM 0 HD22 LEU A 28 90.599 -4.357 22.918 1.00 0.00 H new ATOM 0 HD23 LEU A 28 90.258 -4.285 21.173 1.00 0.00 H new ATOM 443 N PRO A 29 87.603 -7.570 21.349 1.00 0.00 N ATOM 444 CA PRO A 29 87.003 -8.930 21.487 1.00 0.00 C ATOM 445 C PRO A 29 86.452 -9.188 22.907 1.00 0.00 C ATOM 446 O PRO A 29 86.902 -8.589 23.863 1.00 0.00 O ATOM 447 CB PRO A 29 88.175 -9.870 21.170 1.00 0.00 C ATOM 448 CG PRO A 29 89.392 -9.103 21.573 1.00 0.00 C ATOM 449 CD PRO A 29 89.078 -7.631 21.289 1.00 0.00 C ATOM 0 HA PRO A 29 86.145 -9.070 20.829 1.00 0.00 H new ATOM 0 HB2 PRO A 29 88.094 -10.805 21.724 1.00 0.00 H new ATOM 0 HB3 PRO A 29 88.201 -10.128 20.111 1.00 0.00 H new ATOM 0 HG2 PRO A 29 89.618 -9.257 22.628 1.00 0.00 H new ATOM 0 HG3 PRO A 29 90.265 -9.432 21.009 1.00 0.00 H new ATOM 0 HD2 PRO A 29 89.536 -6.974 22.028 1.00 0.00 H new ATOM 0 HD3 PRO A 29 89.452 -7.323 20.313 1.00 0.00 H new ATOM 457 N PRO A 30 85.486 -10.073 23.043 1.00 0.00 N ATOM 458 CA PRO A 30 84.872 -10.408 24.365 1.00 0.00 C ATOM 459 C PRO A 30 85.890 -10.518 25.515 1.00 0.00 C ATOM 460 O PRO A 30 85.550 -10.343 26.668 1.00 0.00 O ATOM 461 CB PRO A 30 84.212 -11.771 24.117 1.00 0.00 C ATOM 462 CG PRO A 30 83.871 -11.791 22.658 1.00 0.00 C ATOM 463 CD PRO A 30 84.864 -10.851 21.951 1.00 0.00 C ATOM 0 HA PRO A 30 84.187 -9.622 24.684 1.00 0.00 H new ATOM 0 HB2 PRO A 30 84.888 -12.587 24.373 1.00 0.00 H new ATOM 0 HB3 PRO A 30 83.319 -11.892 24.730 1.00 0.00 H new ATOM 0 HG2 PRO A 30 83.946 -12.802 22.258 1.00 0.00 H new ATOM 0 HG3 PRO A 30 82.845 -11.460 22.497 1.00 0.00 H new ATOM 0 HD2 PRO A 30 85.611 -11.413 21.390 1.00 0.00 H new ATOM 0 HD3 PRO A 30 84.355 -10.199 21.240 1.00 0.00 H new ATOM 471 N VAL A 31 87.120 -10.838 25.220 1.00 0.00 N ATOM 472 CA VAL A 31 88.130 -10.991 26.313 1.00 0.00 C ATOM 473 C VAL A 31 88.271 -9.679 27.088 1.00 0.00 C ATOM 474 O VAL A 31 88.217 -9.659 28.301 1.00 0.00 O ATOM 475 CB VAL A 31 89.487 -11.363 25.700 1.00 0.00 C ATOM 476 CG1 VAL A 31 90.585 -11.303 26.773 1.00 0.00 C ATOM 477 CG2 VAL A 31 89.412 -12.780 25.128 1.00 0.00 C ATOM 0 H VAL A 31 87.471 -11.000 24.276 1.00 0.00 H new ATOM 0 HA VAL A 31 87.801 -11.775 26.995 1.00 0.00 H new ATOM 0 HB VAL A 31 89.727 -10.656 24.906 1.00 0.00 H new ATOM 0 HG11 VAL A 31 91.544 -11.569 26.328 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.641 -10.293 27.180 1.00 0.00 H new ATOM 0 HG13 VAL A 31 90.350 -12.004 27.574 1.00 0.00 H new ATOM 0 HG21 VAL A 31 90.374 -13.048 24.692 1.00 0.00 H new ATOM 0 HG22 VAL A 31 89.167 -13.482 25.925 1.00 0.00 H new ATOM 0 HG23 VAL A 31 88.641 -12.822 24.359 1.00 0.00 H new ATOM 487 N VAL A 32 88.463 -8.587 26.407 1.00 0.00 N ATOM 488 CA VAL A 32 88.621 -7.294 27.127 1.00 0.00 C ATOM 489 C VAL A 32 87.271 -6.815 27.668 1.00 0.00 C ATOM 490 O VAL A 32 87.180 -6.325 28.775 1.00 0.00 O ATOM 491 CB VAL A 32 89.200 -6.246 26.178 1.00 0.00 C ATOM 492 CG1 VAL A 32 89.265 -4.889 26.888 1.00 0.00 C ATOM 493 CG2 VAL A 32 90.609 -6.672 25.756 1.00 0.00 C ATOM 0 H VAL A 32 88.517 -8.532 25.390 1.00 0.00 H new ATOM 0 HA VAL A 32 89.301 -7.439 27.966 1.00 0.00 H new ATOM 0 HB VAL A 32 88.564 -6.160 25.297 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.678 -4.143 26.209 1.00 0.00 H new ATOM 0 HG12 VAL A 32 88.262 -4.588 27.191 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.901 -4.970 27.769 1.00 0.00 H new ATOM 0 HG21 VAL A 32 91.027 -5.927 25.079 1.00 0.00 H new ATOM 0 HG22 VAL A 32 91.243 -6.756 26.638 1.00 0.00 H new ATOM 0 HG23 VAL A 32 90.561 -7.636 25.250 1.00 0.00 H new ATOM 503 N ALA A 33 86.223 -6.936 26.902 1.00 0.00 N ATOM 504 CA ALA A 33 84.897 -6.465 27.394 1.00 0.00 C ATOM 505 C ALA A 33 84.509 -7.236 28.657 1.00 0.00 C ATOM 506 O ALA A 33 84.180 -6.655 29.672 1.00 0.00 O ATOM 507 CB ALA A 33 83.842 -6.678 26.308 1.00 0.00 C ATOM 0 H ALA A 33 86.225 -7.337 25.964 1.00 0.00 H new ATOM 0 HA ALA A 33 84.957 -5.403 27.632 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.873 -6.333 26.669 1.00 0.00 H new ATOM 0 HB2 ALA A 33 84.118 -6.115 25.417 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.781 -7.738 26.063 1.00 0.00 H new ATOM 513 N LYS A 34 84.558 -8.537 28.612 1.00 0.00 N ATOM 514 CA LYS A 34 84.204 -9.335 29.820 1.00 0.00 C ATOM 515 C LYS A 34 85.145 -8.980 30.973 1.00 0.00 C ATOM 516 O LYS A 34 84.739 -8.887 32.114 1.00 0.00 O ATOM 517 CB LYS A 34 84.319 -10.828 29.512 1.00 0.00 C ATOM 518 CG LYS A 34 83.189 -11.243 28.569 1.00 0.00 C ATOM 519 CD LYS A 34 83.300 -12.735 28.258 1.00 0.00 C ATOM 520 CE LYS A 34 82.114 -13.164 27.395 1.00 0.00 C ATOM 521 NZ LYS A 34 80.887 -13.213 28.240 1.00 0.00 N ATOM 0 H LYS A 34 84.827 -9.083 27.793 1.00 0.00 H new ATOM 0 HA LYS A 34 83.178 -9.104 30.106 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.285 -11.043 29.055 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.267 -11.406 30.435 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.223 -11.028 29.026 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.241 -10.664 27.647 1.00 0.00 H new ATOM 0 HD2 LYS A 34 84.235 -12.940 27.738 1.00 0.00 H new ATOM 0 HD3 LYS A 34 83.317 -13.310 29.184 1.00 0.00 H new ATOM 0 HE2 LYS A 34 81.976 -12.463 26.572 1.00 0.00 H new ATOM 0 HE3 LYS A 34 82.305 -14.142 26.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 80.153 -13.767 27.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 81.111 -13.660 29.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 80.540 -12.247 28.404 1.00 0.00 H new ATOM 535 N GLU A 35 86.403 -8.798 30.684 1.00 0.00 N ATOM 536 CA GLU A 35 87.380 -8.467 31.759 1.00 0.00 C ATOM 537 C GLU A 35 86.997 -7.150 32.436 1.00 0.00 C ATOM 538 O GLU A 35 87.096 -7.014 33.639 1.00 0.00 O ATOM 539 CB GLU A 35 88.778 -8.338 31.151 1.00 0.00 C ATOM 540 CG GLU A 35 89.820 -8.161 32.267 1.00 0.00 C ATOM 541 CD GLU A 35 89.828 -6.710 32.759 1.00 0.00 C ATOM 542 OE1 GLU A 35 89.460 -5.836 31.992 1.00 0.00 O ATOM 543 OE2 GLU A 35 90.212 -6.497 33.898 1.00 0.00 O ATOM 0 H GLU A 35 86.798 -8.864 29.746 1.00 0.00 H new ATOM 0 HA GLU A 35 87.372 -9.263 32.503 1.00 0.00 H new ATOM 0 HB2 GLU A 35 89.011 -9.225 30.562 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.811 -7.486 30.472 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.594 -8.832 33.095 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.809 -8.433 31.898 1.00 0.00 H new ATOM 550 N ILE A 36 86.559 -6.179 31.683 1.00 0.00 N ATOM 551 CA ILE A 36 86.177 -4.884 32.311 1.00 0.00 C ATOM 552 C ILE A 36 85.051 -5.148 33.312 1.00 0.00 C ATOM 553 O ILE A 36 85.045 -4.624 34.408 1.00 0.00 O ATOM 554 CB ILE A 36 85.717 -3.910 31.223 1.00 0.00 C ATOM 555 CG1 ILE A 36 86.925 -3.516 30.365 1.00 0.00 C ATOM 556 CG2 ILE A 36 85.129 -2.653 31.867 1.00 0.00 C ATOM 557 CD1 ILE A 36 86.448 -2.780 29.112 1.00 0.00 C ATOM 0 H ILE A 36 86.450 -6.225 30.670 1.00 0.00 H new ATOM 0 HA ILE A 36 87.026 -4.442 32.831 1.00 0.00 H new ATOM 0 HB ILE A 36 84.957 -4.388 30.605 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.599 -2.879 30.938 1.00 0.00 H new ATOM 0 HG13 ILE A 36 87.489 -4.405 30.084 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.803 -1.963 31.088 1.00 0.00 H new ATOM 0 HG22 ILE A 36 84.277 -2.927 32.488 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.888 -2.171 32.484 1.00 0.00 H new ATOM 0 HD11 ILE A 36 87.309 -2.501 28.504 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.792 -3.432 28.535 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.903 -1.882 29.403 1.00 0.00 H new ATOM 569 N VAL A 37 84.122 -5.995 32.960 1.00 0.00 N ATOM 570 CA VAL A 37 83.023 -6.339 33.905 1.00 0.00 C ATOM 571 C VAL A 37 83.634 -7.084 35.094 1.00 0.00 C ATOM 572 O VAL A 37 83.264 -6.880 36.233 1.00 0.00 O ATOM 573 CB VAL A 37 82.012 -7.243 33.191 1.00 0.00 C ATOM 574 CG1 VAL A 37 81.015 -7.812 34.203 1.00 0.00 C ATOM 575 CG2 VAL A 37 81.258 -6.426 32.138 1.00 0.00 C ATOM 0 H VAL A 37 84.077 -6.465 32.056 1.00 0.00 H new ATOM 0 HA VAL A 37 82.515 -5.438 34.249 1.00 0.00 H new ATOM 0 HB VAL A 37 82.542 -8.065 32.710 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.300 -8.453 33.688 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.550 -8.394 34.953 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.484 -6.994 34.690 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.538 -7.066 31.628 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.733 -5.603 32.623 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.966 -6.026 31.412 1.00 0.00 H new ATOM 585 N ALA A 38 84.574 -7.946 34.822 1.00 0.00 N ATOM 586 CA ALA A 38 85.231 -8.722 35.911 1.00 0.00 C ATOM 587 C ALA A 38 85.877 -7.768 36.920 1.00 0.00 C ATOM 588 O ALA A 38 86.185 -8.149 38.033 1.00 0.00 O ATOM 589 CB ALA A 38 86.304 -9.628 35.309 1.00 0.00 C ATOM 0 H ALA A 38 84.918 -8.148 33.883 1.00 0.00 H new ATOM 0 HA ALA A 38 84.482 -9.326 36.422 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.787 -10.197 36.103 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.844 -10.315 34.599 1.00 0.00 H new ATOM 0 HB3 ALA A 38 87.048 -9.019 34.795 1.00 0.00 H new ATOM 595 N SER A 39 86.089 -6.531 36.550 1.00 0.00 N ATOM 596 CA SER A 39 86.717 -5.568 37.502 1.00 0.00 C ATOM 597 C SER A 39 85.612 -4.854 38.271 1.00 0.00 C ATOM 598 O SER A 39 85.665 -4.720 39.478 1.00 0.00 O ATOM 599 CB SER A 39 87.538 -4.541 36.722 1.00 0.00 C ATOM 600 OG SER A 39 88.693 -5.172 36.185 1.00 0.00 O ATOM 0 H SER A 39 85.855 -6.148 35.634 1.00 0.00 H new ATOM 0 HA SER A 39 87.371 -6.100 38.193 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.938 -4.112 35.920 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.830 -3.719 37.376 1.00 0.00 H new ATOM 0 HG SER A 39 89.220 -4.516 35.683 1.00 0.00 H new ATOM 606 N CYS A 40 84.596 -4.416 37.585 1.00 0.00 N ATOM 607 CA CYS A 40 83.473 -3.737 38.283 1.00 0.00 C ATOM 608 C CYS A 40 82.882 -4.716 39.302 1.00 0.00 C ATOM 609 O CYS A 40 82.589 -5.851 38.984 1.00 0.00 O ATOM 610 CB CYS A 40 82.409 -3.345 37.261 1.00 0.00 C ATOM 611 SG CYS A 40 81.232 -2.199 38.019 1.00 0.00 S ATOM 0 H CYS A 40 84.495 -4.499 36.573 1.00 0.00 H new ATOM 0 HA CYS A 40 83.824 -2.838 38.790 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.877 -2.880 36.394 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.888 -4.234 36.904 1.00 0.00 H new ATOM 616 N ASP A 41 82.725 -4.297 40.524 1.00 0.00 N ATOM 617 CA ASP A 41 82.176 -5.216 41.562 1.00 0.00 C ATOM 618 C ASP A 41 80.655 -5.345 41.429 1.00 0.00 C ATOM 619 O ASP A 41 80.090 -6.384 41.709 1.00 0.00 O ATOM 620 CB ASP A 41 82.521 -4.669 42.949 1.00 0.00 C ATOM 621 CG ASP A 41 84.026 -4.808 43.192 1.00 0.00 C ATOM 622 OD1 ASP A 41 84.641 -5.625 42.526 1.00 0.00 O ATOM 623 OD2 ASP A 41 84.538 -4.091 44.036 1.00 0.00 O ATOM 0 H ASP A 41 82.952 -3.358 40.851 1.00 0.00 H new ATOM 0 HA ASP A 41 82.619 -6.203 41.425 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.225 -3.623 43.023 1.00 0.00 H new ATOM 0 HB3 ASP A 41 81.966 -5.212 43.714 1.00 0.00 H new ATOM 628 N LYS A 42 79.981 -4.300 41.032 1.00 0.00 N ATOM 629 CA LYS A 42 78.494 -4.378 40.919 1.00 0.00 C ATOM 630 C LYS A 42 78.081 -5.268 39.740 1.00 0.00 C ATOM 631 O LYS A 42 77.169 -6.064 39.848 1.00 0.00 O ATOM 632 CB LYS A 42 77.928 -2.976 40.697 1.00 0.00 C ATOM 633 CG LYS A 42 78.108 -2.143 41.966 1.00 0.00 C ATOM 634 CD LYS A 42 77.539 -0.742 41.733 1.00 0.00 C ATOM 635 CE LYS A 42 77.713 0.104 42.996 1.00 0.00 C ATOM 636 NZ LYS A 42 77.030 -0.566 44.140 1.00 0.00 N ATOM 0 H LYS A 42 80.391 -3.400 40.782 1.00 0.00 H new ATOM 0 HA LYS A 42 78.102 -4.807 41.841 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.436 -2.496 39.860 1.00 0.00 H new ATOM 0 HB3 LYS A 42 76.871 -3.037 40.437 1.00 0.00 H new ATOM 0 HG2 LYS A 42 77.600 -2.620 42.804 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.164 -2.081 42.228 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.048 -0.268 40.894 1.00 0.00 H new ATOM 0 HD3 LYS A 42 76.483 -0.807 41.470 1.00 0.00 H new ATOM 0 HE2 LYS A 42 78.772 0.234 43.217 1.00 0.00 H new ATOM 0 HE3 LYS A 42 77.295 1.099 42.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 76.833 0.133 44.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 76.136 -0.985 43.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 77.644 -1.314 44.521 1.00 0.00 H new ATOM 650 N CYS A 43 78.730 -5.140 38.611 1.00 0.00 N ATOM 651 CA CYS A 43 78.343 -5.982 37.439 1.00 0.00 C ATOM 652 C CYS A 43 78.899 -7.398 37.599 1.00 0.00 C ATOM 653 O CYS A 43 78.315 -8.357 37.137 1.00 0.00 O ATOM 654 CB CYS A 43 78.877 -5.358 36.150 1.00 0.00 C ATOM 655 SG CYS A 43 78.068 -3.760 35.879 1.00 0.00 S ATOM 0 H CYS A 43 79.504 -4.495 38.450 1.00 0.00 H new ATOM 0 HA CYS A 43 77.255 -6.034 37.388 1.00 0.00 H new ATOM 0 HB2 CYS A 43 79.957 -5.225 36.217 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.689 -6.022 35.306 1.00 0.00 H new ATOM 660 N GLN A 44 80.017 -7.543 38.255 1.00 0.00 N ATOM 661 CA GLN A 44 80.589 -8.907 38.441 1.00 0.00 C ATOM 662 C GLN A 44 79.791 -9.633 39.523 1.00 0.00 C ATOM 663 O GLN A 44 79.136 -10.625 39.271 1.00 0.00 O ATOM 664 CB GLN A 44 82.056 -8.798 38.866 1.00 0.00 C ATOM 665 CG GLN A 44 82.656 -10.199 39.005 1.00 0.00 C ATOM 666 CD GLN A 44 84.140 -10.085 39.361 1.00 0.00 C ATOM 667 OE1 GLN A 44 84.929 -10.939 39.008 1.00 0.00 O ATOM 668 NE2 GLN A 44 84.556 -9.056 40.050 1.00 0.00 N ATOM 0 H GLN A 44 80.556 -6.782 38.668 1.00 0.00 H new ATOM 0 HA GLN A 44 80.532 -9.463 37.505 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.617 -8.223 38.129 1.00 0.00 H new ATOM 0 HB3 GLN A 44 82.132 -8.263 39.813 1.00 0.00 H new ATOM 0 HG2 GLN A 44 82.128 -10.758 39.778 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.536 -10.752 38.073 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.894 -8.339 40.346 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.543 -8.969 40.292 1.00 0.00 H new ATOM 677 N LEU A 45 79.837 -9.135 40.728 1.00 0.00 N ATOM 678 CA LEU A 45 79.077 -9.781 41.838 1.00 0.00 C ATOM 679 C LEU A 45 77.649 -9.233 41.850 1.00 0.00 C ATOM 680 O LEU A 45 77.435 -8.038 41.901 1.00 0.00 O ATOM 681 CB LEU A 45 79.756 -9.456 43.170 1.00 0.00 C ATOM 682 CG LEU A 45 81.223 -9.897 43.133 1.00 0.00 C ATOM 683 CD1 LEU A 45 81.887 -9.542 44.466 1.00 0.00 C ATOM 684 CD2 LEU A 45 81.311 -11.416 42.899 1.00 0.00 C ATOM 0 H LEU A 45 80.369 -8.306 40.993 1.00 0.00 H new ATOM 0 HA LEU A 45 79.056 -10.861 41.693 1.00 0.00 H new ATOM 0 HB2 LEU A 45 79.695 -8.386 43.367 1.00 0.00 H new ATOM 0 HB3 LEU A 45 79.237 -9.961 43.985 1.00 0.00 H new ATOM 0 HG LEU A 45 81.735 -9.385 42.318 1.00 0.00 H new ATOM 0 HD11 LEU A 45 82.931 -9.853 44.446 1.00 0.00 H new ATOM 0 HD12 LEU A 45 81.832 -8.465 44.624 1.00 0.00 H new ATOM 0 HD13 LEU A 45 81.371 -10.055 45.278 1.00 0.00 H new ATOM 0 HD21 LEU A 45 82.357 -11.720 42.874 1.00 0.00 H new ATOM 0 HD22 LEU A 45 80.800 -11.939 43.708 1.00 0.00 H new ATOM 0 HD23 LEU A 45 80.838 -11.666 41.949 1.00 0.00 H new ATOM 696 N LYS A 46 76.672 -10.093 41.806 1.00 0.00 N ATOM 697 CA LYS A 46 75.259 -9.618 41.817 1.00 0.00 C ATOM 698 C LYS A 46 74.853 -9.281 43.255 1.00 0.00 C ATOM 699 O LYS A 46 75.449 -9.748 44.203 1.00 0.00 O ATOM 700 CB LYS A 46 74.340 -10.719 41.260 1.00 0.00 C ATOM 701 CG LYS A 46 74.850 -12.114 41.693 1.00 0.00 C ATOM 702 CD LYS A 46 75.758 -12.715 40.609 1.00 0.00 C ATOM 703 CE LYS A 46 76.396 -14.002 41.140 1.00 0.00 C ATOM 704 NZ LYS A 46 77.207 -13.690 42.351 1.00 0.00 N ATOM 0 H LYS A 46 76.789 -11.105 41.763 1.00 0.00 H new ATOM 0 HA LYS A 46 75.166 -8.728 41.195 1.00 0.00 H new ATOM 0 HB2 LYS A 46 73.322 -10.569 41.619 1.00 0.00 H new ATOM 0 HB3 LYS A 46 74.306 -10.658 40.172 1.00 0.00 H new ATOM 0 HG2 LYS A 46 75.399 -12.032 42.631 1.00 0.00 H new ATOM 0 HG3 LYS A 46 74.004 -12.777 41.876 1.00 0.00 H new ATOM 0 HD2 LYS A 46 75.179 -12.926 39.710 1.00 0.00 H new ATOM 0 HD3 LYS A 46 76.532 -12.000 40.329 1.00 0.00 H new ATOM 0 HE2 LYS A 46 75.623 -14.730 41.385 1.00 0.00 H new ATOM 0 HE3 LYS A 46 77.026 -14.452 40.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 77.824 -14.497 42.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 77.790 -12.848 42.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 76.574 -13.506 43.155 1.00 0.00 H new ATOM 718 N GLY A 47 73.839 -8.475 43.424 1.00 0.00 N ATOM 719 CA GLY A 47 73.394 -8.115 44.801 1.00 0.00 C ATOM 720 C GLY A 47 72.512 -9.233 45.362 1.00 0.00 C ATOM 721 O GLY A 47 72.110 -9.203 46.508 1.00 0.00 O ATOM 0 H GLY A 47 73.300 -8.051 42.669 1.00 0.00 H new ATOM 0 HA2 GLY A 47 74.259 -7.962 45.446 1.00 0.00 H new ATOM 0 HA3 GLY A 47 72.841 -7.176 44.782 1.00 0.00 H new ATOM 725 N GLU A 48 72.205 -10.217 44.561 1.00 0.00 N ATOM 726 CA GLU A 48 71.344 -11.337 45.042 1.00 0.00 C ATOM 727 C GLU A 48 72.202 -12.343 45.815 1.00 0.00 C ATOM 728 O GLU A 48 73.236 -12.779 45.349 1.00 0.00 O ATOM 729 CB GLU A 48 70.705 -12.032 43.835 1.00 0.00 C ATOM 730 CG GLU A 48 69.682 -13.071 44.307 1.00 0.00 C ATOM 731 CD GLU A 48 68.472 -12.359 44.916 1.00 0.00 C ATOM 732 OE1 GLU A 48 68.301 -11.183 44.643 1.00 0.00 O ATOM 733 OE2 GLU A 48 67.738 -13.003 45.647 1.00 0.00 O ATOM 0 H GLU A 48 72.514 -10.294 43.592 1.00 0.00 H new ATOM 0 HA GLU A 48 70.565 -10.948 45.697 1.00 0.00 H new ATOM 0 HB2 GLU A 48 70.218 -11.295 43.197 1.00 0.00 H new ATOM 0 HB3 GLU A 48 71.475 -12.515 43.234 1.00 0.00 H new ATOM 0 HG2 GLU A 48 69.367 -13.693 43.469 1.00 0.00 H new ATOM 0 HG3 GLU A 48 70.135 -13.734 45.044 1.00 0.00 H new ATOM 740 N ALA A 49 71.781 -12.716 46.993 1.00 0.00 N ATOM 741 CA ALA A 49 72.571 -13.694 47.792 1.00 0.00 C ATOM 742 C ALA A 49 71.729 -14.187 48.970 1.00 0.00 C ATOM 743 O ALA A 49 71.323 -15.332 49.020 1.00 0.00 O ATOM 744 CB ALA A 49 73.838 -13.016 48.318 1.00 0.00 C ATOM 0 H ALA A 49 70.924 -12.385 47.436 1.00 0.00 H new ATOM 0 HA ALA A 49 72.846 -14.541 47.163 1.00 0.00 H new ATOM 0 HB1 ALA A 49 74.417 -13.731 48.903 1.00 0.00 H new ATOM 0 HB2 ALA A 49 74.438 -12.664 47.479 1.00 0.00 H new ATOM 0 HB3 ALA A 49 73.563 -12.170 48.948 1.00 0.00 H new ATOM 750 N MET A 50 71.456 -13.330 49.913 1.00 0.00 N ATOM 751 CA MET A 50 70.633 -13.748 51.083 1.00 0.00 C ATOM 752 C MET A 50 69.164 -13.806 50.658 1.00 0.00 C ATOM 753 O MET A 50 68.771 -13.211 49.675 1.00 0.00 O ATOM 754 CB MET A 50 70.800 -12.740 52.223 1.00 0.00 C ATOM 755 CG MET A 50 72.219 -12.838 52.787 1.00 0.00 C ATOM 756 SD MET A 50 72.418 -11.645 54.138 1.00 0.00 S ATOM 757 CE MET A 50 71.345 -12.461 55.351 1.00 0.00 C ATOM 0 H MET A 50 71.767 -12.359 49.925 1.00 0.00 H new ATOM 0 HA MET A 50 70.958 -14.729 51.429 1.00 0.00 H new ATOM 0 HB2 MET A 50 70.610 -11.730 51.860 1.00 0.00 H new ATOM 0 HB3 MET A 50 70.071 -12.939 53.008 1.00 0.00 H new ATOM 0 HG2 MET A 50 72.409 -13.848 53.149 1.00 0.00 H new ATOM 0 HG3 MET A 50 72.948 -12.639 52.002 1.00 0.00 H new ATOM 0 HE1 MET A 50 71.660 -12.188 56.358 1.00 0.00 H new ATOM 0 HE2 MET A 50 70.314 -12.145 55.195 1.00 0.00 H new ATOM 0 HE3 MET A 50 71.415 -13.542 55.230 1.00 0.00 H new ATOM 767 N HIS A 51 68.353 -14.526 51.381 1.00 0.00 N ATOM 768 CA HIS A 51 66.913 -14.632 51.005 1.00 0.00 C ATOM 769 C HIS A 51 66.167 -13.365 51.428 1.00 0.00 C ATOM 770 O HIS A 51 65.254 -12.923 50.759 1.00 0.00 O ATOM 771 CB HIS A 51 66.299 -15.841 51.713 1.00 0.00 C ATOM 772 CG HIS A 51 66.731 -15.837 53.153 1.00 0.00 C ATOM 773 ND1 HIS A 51 67.859 -16.314 53.773 1.00 0.00 N flip ATOM 774 CD2 HIS A 51 65.958 -15.267 54.155 1.00 0.00 C flip ATOM 775 CE1 HIS A 51 67.789 -16.044 55.134 1.00 0.00 C flip ATOM 776 NE2 HIS A 51 66.627 -15.414 55.315 1.00 0.00 N flip ATOM 0 H HIS A 51 68.623 -15.046 52.216 1.00 0.00 H new ATOM 0 HA HIS A 51 66.830 -14.751 49.925 1.00 0.00 H new ATOM 0 HB2 HIS A 51 65.212 -15.804 51.646 1.00 0.00 H new ATOM 0 HB3 HIS A 51 66.617 -16.763 51.227 1.00 0.00 H new ATOM 0 HD2 HIS A 51 64.996 -14.792 54.028 1.00 0.00 H new ATOM 0 HE1 HIS A 51 68.522 -16.292 55.888 1.00 0.00 H new ATOM 0 HE2 HIS A 51 66.288 -15.085 56.219 1.00 0.00 H new ATOM 785 N GLY A 52 66.538 -12.780 52.531 1.00 0.00 N ATOM 786 CA GLY A 52 65.837 -11.544 52.984 1.00 0.00 C ATOM 787 C GLY A 52 64.326 -11.789 52.970 1.00 0.00 C ATOM 788 O GLY A 52 63.869 -12.883 52.707 1.00 0.00 O ATOM 0 H GLY A 52 67.293 -13.101 53.137 1.00 0.00 H new ATOM 0 HA2 GLY A 52 66.164 -11.273 53.988 1.00 0.00 H new ATOM 0 HA3 GLY A 52 66.088 -10.709 52.330 1.00 0.00 H new ATOM 792 N GLN A 53 63.548 -10.780 53.248 1.00 0.00 N ATOM 793 CA GLN A 53 62.066 -10.954 53.245 1.00 0.00 C ATOM 794 C GLN A 53 61.547 -10.848 51.809 1.00 0.00 C ATOM 795 O GLN A 53 62.129 -10.178 50.979 1.00 0.00 O ATOM 796 CB GLN A 53 61.424 -9.858 54.097 1.00 0.00 C ATOM 797 CG GLN A 53 61.824 -10.048 55.562 1.00 0.00 C ATOM 798 CD GLN A 53 61.248 -8.906 56.399 1.00 0.00 C ATOM 799 OE1 GLN A 53 60.169 -8.419 56.122 1.00 0.00 O ATOM 800 NE2 GLN A 53 61.928 -8.453 57.415 1.00 0.00 N ATOM 0 H GLN A 53 63.874 -9.841 53.478 1.00 0.00 H new ATOM 0 HA GLN A 53 61.812 -11.931 53.656 1.00 0.00 H new ATOM 0 HB2 GLN A 53 61.743 -8.877 53.746 1.00 0.00 H new ATOM 0 HB3 GLN A 53 60.339 -9.894 53.998 1.00 0.00 H new ATOM 0 HG2 GLN A 53 61.454 -11.005 55.930 1.00 0.00 H new ATOM 0 HG3 GLN A 53 62.910 -10.069 55.654 1.00 0.00 H new ATOM 0 HE21 GLN A 53 62.833 -8.863 57.646 1.00 0.00 H new ATOM 0 HE22 GLN A 53 61.555 -7.689 57.979 1.00 0.00 H new ATOM 809 N VAL A 54 60.453 -11.498 51.506 1.00 0.00 N ATOM 810 CA VAL A 54 59.895 -11.427 50.120 1.00 0.00 C ATOM 811 C VAL A 54 58.816 -10.340 50.065 1.00 0.00 C ATOM 812 O VAL A 54 57.981 -10.234 50.942 1.00 0.00 O ATOM 813 CB VAL A 54 59.280 -12.782 49.747 1.00 0.00 C ATOM 814 CG1 VAL A 54 60.392 -13.769 49.386 1.00 0.00 C ATOM 815 CG2 VAL A 54 58.485 -13.328 50.936 1.00 0.00 C ATOM 0 H VAL A 54 59.921 -12.075 52.158 1.00 0.00 H new ATOM 0 HA VAL A 54 60.691 -11.186 49.416 1.00 0.00 H new ATOM 0 HB VAL A 54 58.616 -12.653 48.892 1.00 0.00 H new ATOM 0 HG11 VAL A 54 59.953 -14.731 49.121 1.00 0.00 H new ATOM 0 HG12 VAL A 54 60.960 -13.384 48.539 1.00 0.00 H new ATOM 0 HG13 VAL A 54 61.057 -13.896 50.240 1.00 0.00 H new ATOM 0 HG21 VAL A 54 58.048 -14.291 50.670 1.00 0.00 H new ATOM 0 HG22 VAL A 54 59.149 -13.454 51.791 1.00 0.00 H new ATOM 0 HG23 VAL A 54 57.690 -12.628 51.195 1.00 0.00 H new ATOM 825 N ASP A 55 58.829 -9.529 49.039 1.00 0.00 N ATOM 826 CA ASP A 55 57.811 -8.440 48.920 1.00 0.00 C ATOM 827 C ASP A 55 57.470 -8.225 47.445 1.00 0.00 C ATOM 828 O ASP A 55 58.368 -7.887 46.692 1.00 0.00 O ATOM 829 CB ASP A 55 58.386 -7.144 49.496 1.00 0.00 C ATOM 830 CG ASP A 55 57.308 -6.058 49.487 1.00 0.00 C ATOM 831 OD1 ASP A 55 56.937 -5.627 48.407 1.00 0.00 O ATOM 832 OD2 ASP A 55 56.874 -5.672 50.560 1.00 0.00 O ATOM 833 OXT ASP A 55 56.315 -8.402 47.093 1.00 0.00 O ATOM 0 H ASP A 55 59.503 -9.574 48.275 1.00 0.00 H new ATOM 0 HA ASP A 55 56.912 -8.720 49.469 1.00 0.00 H new ATOM 0 HB2 ASP A 55 58.740 -7.311 50.513 1.00 0.00 H new ATOM 0 HB3 ASP A 55 59.246 -6.823 48.908 1.00 0.00 H new TER 838 ASP A 55 ATOM 839 N PHE B 1 95.840 -11.799 22.570 1.00 0.00 N ATOM 840 CA PHE B 1 94.963 -12.960 22.889 1.00 0.00 C ATOM 841 C PHE B 1 95.550 -14.218 22.253 1.00 0.00 C ATOM 842 O PHE B 1 95.485 -14.415 21.056 1.00 0.00 O ATOM 843 CB PHE B 1 93.557 -12.697 22.348 1.00 0.00 C ATOM 844 CG PHE B 1 93.194 -11.246 22.589 1.00 0.00 C ATOM 845 CD1 PHE B 1 92.986 -10.783 23.896 1.00 0.00 C ATOM 846 CD2 PHE B 1 93.077 -10.361 21.507 1.00 0.00 C ATOM 847 CE1 PHE B 1 92.656 -9.438 24.119 1.00 0.00 C ATOM 848 CE2 PHE B 1 92.748 -9.017 21.733 1.00 0.00 C ATOM 849 CZ PHE B 1 92.538 -8.558 23.038 1.00 0.00 C ATOM 0 H1 PHE B 1 95.264 -10.935 22.509 1.00 0.00 H new ATOM 0 H2 PHE B 1 96.554 -11.687 23.318 1.00 0.00 H new ATOM 0 H3 PHE B 1 96.316 -11.963 21.660 1.00 0.00 H new ATOM 0 HA PHE B 1 94.904 -13.100 23.968 1.00 0.00 H new ATOM 0 HB2 PHE B 1 93.516 -12.922 21.282 1.00 0.00 H new ATOM 0 HB3 PHE B 1 92.837 -13.351 22.840 1.00 0.00 H new ATOM 0 HD1 PHE B 1 93.080 -11.462 24.731 1.00 0.00 H new ATOM 0 HD2 PHE B 1 93.240 -10.715 20.500 1.00 0.00 H new ATOM 0 HE1 PHE B 1 92.493 -9.082 25.125 1.00 0.00 H new ATOM 0 HE2 PHE B 1 92.657 -8.336 20.900 1.00 0.00 H new ATOM 0 HZ PHE B 1 92.284 -7.523 23.211 1.00 0.00 H new ATOM 861 N LEU B 2 96.149 -15.058 23.054 1.00 0.00 N ATOM 862 CA LEU B 2 96.780 -16.304 22.524 1.00 0.00 C ATOM 863 C LEU B 2 95.878 -17.506 22.753 1.00 0.00 C ATOM 864 O LEU B 2 95.231 -17.627 23.765 1.00 0.00 O ATOM 865 CB LEU B 2 98.116 -16.534 23.233 1.00 0.00 C ATOM 866 CG LEU B 2 99.013 -15.302 23.066 1.00 0.00 C ATOM 867 CD1 LEU B 2 100.341 -15.542 23.789 1.00 0.00 C ATOM 868 CD2 LEU B 2 99.276 -15.041 21.572 1.00 0.00 C ATOM 0 H LEU B 2 96.229 -14.934 24.063 1.00 0.00 H new ATOM 0 HA LEU B 2 96.938 -16.186 21.452 1.00 0.00 H new ATOM 0 HB2 LEU B 2 97.947 -16.731 24.292 1.00 0.00 H new ATOM 0 HB3 LEU B 2 98.610 -17.413 22.820 1.00 0.00 H new ATOM 0 HG LEU B 2 98.515 -14.432 23.494 1.00 0.00 H new ATOM 0 HD11 LEU B 2 100.982 -14.668 23.673 1.00 0.00 H new ATOM 0 HD12 LEU B 2 100.152 -15.715 24.849 1.00 0.00 H new ATOM 0 HD13 LEU B 2 100.836 -16.414 23.361 1.00 0.00 H new ATOM 0 HD21 LEU B 2 99.914 -14.164 21.463 1.00 0.00 H new ATOM 0 HD22 LEU B 2 99.771 -15.907 21.133 1.00 0.00 H new ATOM 0 HD23 LEU B 2 98.329 -14.867 21.061 1.00 0.00 H new ATOM 880 N ASP B 3 95.857 -18.407 21.814 1.00 0.00 N ATOM 881 CA ASP B 3 95.022 -19.626 21.966 1.00 0.00 C ATOM 882 C ASP B 3 95.494 -20.373 23.208 1.00 0.00 C ATOM 883 O ASP B 3 94.703 -20.896 23.970 1.00 0.00 O ATOM 884 CB ASP B 3 95.179 -20.517 20.731 1.00 0.00 C ATOM 885 CG ASP B 3 94.504 -19.848 19.531 1.00 0.00 C ATOM 886 OD1 ASP B 3 93.657 -18.998 19.750 1.00 0.00 O ATOM 887 OD2 ASP B 3 94.842 -20.202 18.413 1.00 0.00 O ATOM 0 H ASP B 3 96.385 -18.350 20.943 1.00 0.00 H new ATOM 0 HA ASP B 3 93.971 -19.355 22.068 1.00 0.00 H new ATOM 0 HB2 ASP B 3 96.236 -20.684 20.521 1.00 0.00 H new ATOM 0 HB3 ASP B 3 94.733 -21.494 20.915 1.00 0.00 H new ATOM 892 N GLY B 4 96.783 -20.413 23.430 1.00 0.00 N ATOM 893 CA GLY B 4 97.320 -21.107 24.638 1.00 0.00 C ATOM 894 C GLY B 4 96.504 -20.683 25.864 1.00 0.00 C ATOM 895 O GLY B 4 96.542 -21.316 26.901 1.00 0.00 O ATOM 0 H GLY B 4 97.488 -19.993 22.824 1.00 0.00 H new ATOM 0 HA2 GLY B 4 97.266 -22.188 24.506 1.00 0.00 H new ATOM 0 HA3 GLY B 4 98.371 -20.855 24.780 1.00 0.00 H new ATOM 899 N ILE B 5 95.749 -19.626 25.738 1.00 0.00 N ATOM 900 CA ILE B 5 94.906 -19.159 26.871 1.00 0.00 C ATOM 901 C ILE B 5 93.933 -20.278 27.245 1.00 0.00 C ATOM 902 O ILE B 5 93.630 -20.492 28.402 1.00 0.00 O ATOM 903 CB ILE B 5 94.145 -17.893 26.448 1.00 0.00 C ATOM 904 CG1 ILE B 5 95.112 -16.707 26.446 1.00 0.00 C ATOM 905 CG2 ILE B 5 92.991 -17.614 27.418 1.00 0.00 C ATOM 906 CD1 ILE B 5 94.458 -15.507 25.757 1.00 0.00 C ATOM 0 H ILE B 5 95.681 -19.062 24.891 1.00 0.00 H new ATOM 0 HA ILE B 5 95.523 -18.917 27.736 1.00 0.00 H new ATOM 0 HB ILE B 5 93.733 -18.040 25.450 1.00 0.00 H new ATOM 0 HG12 ILE B 5 95.385 -16.447 27.469 1.00 0.00 H new ATOM 0 HG13 ILE B 5 96.033 -16.977 25.929 1.00 0.00 H new ATOM 0 HG21 ILE B 5 92.462 -16.714 27.105 1.00 0.00 H new ATOM 0 HG22 ILE B 5 92.302 -18.459 27.417 1.00 0.00 H new ATOM 0 HG23 ILE B 5 93.387 -17.470 28.423 1.00 0.00 H new ATOM 0 HD11 ILE B 5 95.150 -14.665 25.758 1.00 0.00 H new ATOM 0 HD12 ILE B 5 94.208 -15.770 24.729 1.00 0.00 H new ATOM 0 HD13 ILE B 5 93.550 -15.231 26.292 1.00 0.00 H new ATOM 918 N ASP B 6 93.456 -21.004 26.275 1.00 0.00 N ATOM 919 CA ASP B 6 92.520 -22.121 26.573 1.00 0.00 C ATOM 920 C ASP B 6 93.235 -23.117 27.489 1.00 0.00 C ATOM 921 O ASP B 6 92.652 -23.674 28.398 1.00 0.00 O ATOM 922 CB ASP B 6 92.118 -22.811 25.268 1.00 0.00 C ATOM 923 CG ASP B 6 91.217 -21.878 24.457 1.00 0.00 C ATOM 924 OD1 ASP B 6 90.584 -21.026 25.060 1.00 0.00 O ATOM 925 OD2 ASP B 6 91.176 -22.030 23.248 1.00 0.00 O ATOM 0 H ASP B 6 93.674 -20.872 25.287 1.00 0.00 H new ATOM 0 HA ASP B 6 91.622 -21.743 27.063 1.00 0.00 H new ATOM 0 HB2 ASP B 6 93.006 -23.069 24.691 1.00 0.00 H new ATOM 0 HB3 ASP B 6 91.596 -23.743 25.483 1.00 0.00 H new ATOM 930 N LYS B 7 94.498 -23.338 27.256 1.00 0.00 N ATOM 931 CA LYS B 7 95.269 -24.285 28.107 1.00 0.00 C ATOM 932 C LYS B 7 95.300 -23.760 29.547 1.00 0.00 C ATOM 933 O LYS B 7 95.185 -24.511 30.493 1.00 0.00 O ATOM 934 CB LYS B 7 96.697 -24.400 27.565 1.00 0.00 C ATOM 935 CG LYS B 7 97.468 -25.463 28.354 1.00 0.00 C ATOM 936 CD LYS B 7 98.899 -25.589 27.806 1.00 0.00 C ATOM 937 CE LYS B 7 98.905 -26.389 26.496 1.00 0.00 C ATOM 938 NZ LYS B 7 100.306 -26.761 26.149 1.00 0.00 N ATOM 0 H LYS B 7 95.033 -22.900 26.506 1.00 0.00 H new ATOM 0 HA LYS B 7 94.797 -25.267 28.092 1.00 0.00 H new ATOM 0 HB2 LYS B 7 96.674 -24.664 26.508 1.00 0.00 H new ATOM 0 HB3 LYS B 7 97.204 -23.438 27.642 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.496 -25.195 29.410 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.957 -26.423 28.283 1.00 0.00 H new ATOM 0 HD2 LYS B 7 99.318 -24.597 27.635 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.535 -26.081 28.542 1.00 0.00 H new ATOM 0 HE2 LYS B 7 98.295 -27.286 26.602 1.00 0.00 H new ATOM 0 HE3 LYS B 7 98.465 -25.797 25.694 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 100.312 -27.303 25.262 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 100.875 -25.899 26.031 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 100.710 -27.341 26.912 1.00 0.00 H new ATOM 952 N ALA B 8 95.458 -22.476 29.716 1.00 0.00 N ATOM 953 CA ALA B 8 95.501 -21.899 31.092 1.00 0.00 C ATOM 954 C ALA B 8 94.191 -22.206 31.830 1.00 0.00 C ATOM 955 O ALA B 8 94.187 -22.449 33.021 1.00 0.00 O ATOM 956 CB ALA B 8 95.690 -20.383 31.000 1.00 0.00 C ATOM 0 H ALA B 8 95.560 -21.799 28.960 1.00 0.00 H new ATOM 0 HA ALA B 8 96.332 -22.341 31.641 1.00 0.00 H new ATOM 0 HB1 ALA B 8 95.722 -19.959 32.004 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.624 -20.164 30.483 1.00 0.00 H new ATOM 0 HB3 ALA B 8 94.859 -19.946 30.447 1.00 0.00 H new ATOM 962 N GLN B 9 93.080 -22.186 31.143 1.00 0.00 N ATOM 963 CA GLN B 9 91.780 -22.469 31.823 1.00 0.00 C ATOM 964 C GLN B 9 91.807 -23.873 32.434 1.00 0.00 C ATOM 965 O GLN B 9 91.312 -24.101 33.520 1.00 0.00 O ATOM 966 CB GLN B 9 90.641 -22.414 30.803 1.00 0.00 C ATOM 967 CG GLN B 9 90.415 -20.977 30.344 1.00 0.00 C ATOM 968 CD GLN B 9 89.272 -20.951 29.329 1.00 0.00 C ATOM 969 OE1 GLN B 9 89.377 -21.648 28.231 1.00 0.00 O flip ATOM 970 NE2 GLN B 9 88.268 -20.302 29.544 1.00 0.00 N flip ATOM 0 H GLN B 9 93.015 -21.987 30.145 1.00 0.00 H new ATOM 0 HA GLN B 9 91.626 -21.723 32.603 1.00 0.00 H new ATOM 0 HB2 GLN B 9 90.879 -23.044 29.946 1.00 0.00 H new ATOM 0 HB3 GLN B 9 89.727 -22.810 31.246 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.175 -20.343 31.197 1.00 0.00 H new ATOM 0 HG3 GLN B 9 91.325 -20.578 29.896 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.187 -19.757 30.403 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.506 -20.302 28.866 1.00 0.00 H new ATOM 979 N GLU B 10 92.362 -24.818 31.730 1.00 0.00 N ATOM 980 CA GLU B 10 92.407 -26.214 32.248 1.00 0.00 C ATOM 981 C GLU B 10 93.179 -26.274 33.569 1.00 0.00 C ATOM 982 O GLU B 10 92.800 -26.974 34.485 1.00 0.00 O ATOM 983 CB GLU B 10 93.091 -27.098 31.207 1.00 0.00 C ATOM 984 CG GLU B 10 92.168 -27.246 29.995 1.00 0.00 C ATOM 985 CD GLU B 10 92.839 -28.124 28.940 1.00 0.00 C ATOM 986 OE1 GLU B 10 94.018 -28.398 29.088 1.00 0.00 O ATOM 987 OE2 GLU B 10 92.165 -28.498 27.995 1.00 0.00 O ATOM 0 H GLU B 10 92.789 -24.684 30.813 1.00 0.00 H new ATOM 0 HA GLU B 10 91.392 -26.566 32.431 1.00 0.00 H new ATOM 0 HB2 GLU B 10 94.041 -26.658 30.905 1.00 0.00 H new ATOM 0 HB3 GLU B 10 93.314 -28.077 31.632 1.00 0.00 H new ATOM 0 HG2 GLU B 10 91.220 -27.688 30.300 1.00 0.00 H new ATOM 0 HG3 GLU B 10 91.942 -26.265 29.576 1.00 0.00 H new ATOM 994 N GLU B 11 94.261 -25.547 33.672 1.00 0.00 N ATOM 995 CA GLU B 11 95.072 -25.556 34.933 1.00 0.00 C ATOM 996 C GLU B 11 94.756 -24.315 35.774 1.00 0.00 C ATOM 997 O GLU B 11 95.481 -23.975 36.686 1.00 0.00 O ATOM 998 CB GLU B 11 96.565 -25.581 34.586 1.00 0.00 C ATOM 999 CG GLU B 11 96.936 -26.945 33.993 1.00 0.00 C ATOM 1000 CD GLU B 11 96.316 -27.091 32.603 1.00 0.00 C ATOM 1001 OE1 GLU B 11 96.143 -26.080 31.946 1.00 0.00 O ATOM 1002 OE2 GLU B 11 96.024 -28.212 32.221 1.00 0.00 O ATOM 0 H GLU B 11 94.622 -24.943 32.934 1.00 0.00 H new ATOM 0 HA GLU B 11 94.820 -26.446 35.510 1.00 0.00 H new ATOM 0 HB2 GLU B 11 96.796 -24.789 33.873 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.159 -25.389 35.479 1.00 0.00 H new ATOM 0 HG2 GLU B 11 98.020 -27.042 33.930 1.00 0.00 H new ATOM 0 HG3 GLU B 11 96.582 -27.744 34.645 1.00 0.00 H new ATOM 1009 N CYS B 12 93.680 -23.637 35.483 1.00 0.00 N ATOM 1010 CA CYS B 12 93.327 -22.425 36.282 1.00 0.00 C ATOM 1011 C CYS B 12 93.397 -22.762 37.774 1.00 0.00 C ATOM 1012 O CYS B 12 93.912 -22.005 38.573 1.00 0.00 O ATOM 1013 CB CYS B 12 91.902 -21.988 35.937 1.00 0.00 C ATOM 1014 SG CYS B 12 91.434 -20.576 36.970 1.00 0.00 S ATOM 0 H CYS B 12 93.031 -23.867 34.730 1.00 0.00 H new ATOM 0 HA CYS B 12 94.027 -21.622 36.051 1.00 0.00 H new ATOM 0 HB2 CYS B 12 91.839 -21.717 34.883 1.00 0.00 H new ATOM 0 HB3 CYS B 12 91.209 -22.814 36.096 1.00 0.00 H new ATOM 1019 N GLU B 13 92.870 -23.894 38.148 1.00 0.00 N ATOM 1020 CA GLU B 13 92.884 -24.304 39.581 1.00 0.00 C ATOM 1021 C GLU B 13 94.327 -24.413 40.087 1.00 0.00 C ATOM 1022 O GLU B 13 94.611 -24.146 41.239 1.00 0.00 O ATOM 1023 CB GLU B 13 92.183 -25.659 39.723 1.00 0.00 C ATOM 1024 CG GLU B 13 92.135 -26.065 41.198 1.00 0.00 C ATOM 1025 CD GLU B 13 91.412 -27.404 41.330 1.00 0.00 C ATOM 1026 OE1 GLU B 13 90.867 -27.861 40.339 1.00 0.00 O ATOM 1027 OE2 GLU B 13 91.416 -27.951 42.420 1.00 0.00 O ATOM 0 H GLU B 13 92.425 -24.560 37.516 1.00 0.00 H new ATOM 0 HA GLU B 13 92.361 -23.554 40.175 1.00 0.00 H new ATOM 0 HB2 GLU B 13 91.172 -25.600 39.319 1.00 0.00 H new ATOM 0 HB3 GLU B 13 92.713 -26.416 39.145 1.00 0.00 H new ATOM 0 HG2 GLU B 13 93.146 -26.143 41.598 1.00 0.00 H new ATOM 0 HG3 GLU B 13 91.620 -25.301 41.781 1.00 0.00 H new ATOM 1034 N LYS B 14 95.232 -24.827 39.246 1.00 0.00 N ATOM 1035 CA LYS B 14 96.649 -24.979 39.685 1.00 0.00 C ATOM 1036 C LYS B 14 97.190 -23.630 40.165 1.00 0.00 C ATOM 1037 O LYS B 14 97.919 -23.556 41.134 1.00 0.00 O ATOM 1038 CB LYS B 14 97.491 -25.492 38.510 1.00 0.00 C ATOM 1039 CG LYS B 14 98.964 -25.666 38.918 1.00 0.00 C ATOM 1040 CD LYS B 14 99.097 -26.716 40.033 1.00 0.00 C ATOM 1041 CE LYS B 14 100.544 -27.215 40.102 1.00 0.00 C ATOM 1042 NZ LYS B 14 101.438 -26.092 40.505 1.00 0.00 N ATOM 0 H LYS B 14 95.052 -25.068 38.271 1.00 0.00 H new ATOM 0 HA LYS B 14 96.702 -25.693 40.507 1.00 0.00 H new ATOM 0 HB2 LYS B 14 97.092 -26.445 38.161 1.00 0.00 H new ATOM 0 HB3 LYS B 14 97.422 -24.793 37.676 1.00 0.00 H new ATOM 0 HG2 LYS B 14 99.553 -25.970 38.053 1.00 0.00 H new ATOM 0 HG3 LYS B 14 99.367 -24.713 39.259 1.00 0.00 H new ATOM 0 HD2 LYS B 14 98.805 -26.283 40.990 1.00 0.00 H new ATOM 0 HD3 LYS B 14 98.423 -27.551 39.842 1.00 0.00 H new ATOM 0 HE2 LYS B 14 100.624 -28.033 40.818 1.00 0.00 H new ATOM 0 HE3 LYS B 14 100.851 -27.609 39.133 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 102.391 -26.460 40.700 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 101.487 -25.394 39.736 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 101.060 -25.638 41.361 1.00 0.00 H new ATOM 1056 N TYR B 15 96.845 -22.560 39.500 1.00 0.00 N ATOM 1057 CA TYR B 15 97.350 -21.225 39.934 1.00 0.00 C ATOM 1058 C TYR B 15 96.426 -20.675 41.022 1.00 0.00 C ATOM 1059 O TYR B 15 96.776 -19.759 41.741 1.00 0.00 O ATOM 1060 CB TYR B 15 97.361 -20.267 38.743 1.00 0.00 C ATOM 1061 CG TYR B 15 98.286 -20.801 37.675 1.00 0.00 C ATOM 1062 CD1 TYR B 15 99.644 -20.460 37.692 1.00 0.00 C ATOM 1063 CD2 TYR B 15 97.787 -21.638 36.671 1.00 0.00 C ATOM 1064 CE1 TYR B 15 100.502 -20.955 36.704 1.00 0.00 C ATOM 1065 CE2 TYR B 15 98.645 -22.133 35.681 1.00 0.00 C ATOM 1066 CZ TYR B 15 100.002 -21.793 35.698 1.00 0.00 C ATOM 1067 OH TYR B 15 100.849 -22.279 34.720 1.00 0.00 O ATOM 0 H TYR B 15 96.239 -22.552 38.680 1.00 0.00 H new ATOM 0 HA TYR B 15 98.363 -21.324 40.323 1.00 0.00 H new ATOM 0 HB2 TYR B 15 96.353 -20.155 38.343 1.00 0.00 H new ATOM 0 HB3 TYR B 15 97.689 -19.278 39.062 1.00 0.00 H new ATOM 0 HD1 TYR B 15 100.029 -19.815 38.468 1.00 0.00 H new ATOM 0 HD2 TYR B 15 96.740 -21.902 36.659 1.00 0.00 H new ATOM 0 HE1 TYR B 15 101.549 -20.691 36.717 1.00 0.00 H new ATOM 0 HE2 TYR B 15 98.259 -22.777 34.905 1.00 0.00 H new ATOM 0 HH TYR B 15 101.713 -21.821 34.778 1.00 0.00 H new ATOM 1077 N HIS B 16 95.251 -21.233 41.150 1.00 0.00 N ATOM 1078 CA HIS B 16 94.297 -20.765 42.196 1.00 0.00 C ATOM 1079 C HIS B 16 94.021 -19.268 42.023 1.00 0.00 C ATOM 1080 O HIS B 16 93.744 -18.799 40.937 1.00 0.00 O ATOM 1081 CB HIS B 16 94.870 -21.046 43.590 1.00 0.00 C ATOM 1082 CG HIS B 16 95.025 -22.531 43.775 1.00 0.00 C ATOM 1083 ND1 HIS B 16 96.193 -23.203 43.440 1.00 0.00 N ATOM 1084 CD2 HIS B 16 94.164 -23.489 44.251 1.00 0.00 C ATOM 1085 CE1 HIS B 16 96.003 -24.507 43.717 1.00 0.00 C ATOM 1086 NE2 HIS B 16 94.786 -24.732 44.213 1.00 0.00 N ATOM 0 H HIS B 16 94.910 -21.999 40.570 1.00 0.00 H new ATOM 0 HA HIS B 16 93.357 -21.306 42.089 1.00 0.00 H new ATOM 0 HB2 HIS B 16 95.834 -20.551 43.706 1.00 0.00 H new ATOM 0 HB3 HIS B 16 94.209 -20.640 44.356 1.00 0.00 H new ATOM 0 HD1 HIS B 16 97.040 -22.785 43.055 1.00 0.00 H new ATOM 0 HD2 HIS B 16 93.159 -23.305 44.601 1.00 0.00 H new ATOM 0 HE1 HIS B 16 96.745 -25.276 43.557 1.00 0.00 H new ATOM 1095 N SER B 17 94.082 -18.516 43.089 1.00 0.00 N ATOM 1096 CA SER B 17 93.812 -17.053 42.998 1.00 0.00 C ATOM 1097 C SER B 17 95.070 -16.312 42.555 1.00 0.00 C ATOM 1098 O SER B 17 95.045 -15.123 42.300 1.00 0.00 O ATOM 1099 CB SER B 17 93.390 -16.540 44.369 1.00 0.00 C ATOM 1100 OG SER B 17 94.499 -16.608 45.258 1.00 0.00 O ATOM 0 H SER B 17 94.309 -18.855 44.024 1.00 0.00 H new ATOM 0 HA SER B 17 93.020 -16.880 42.269 1.00 0.00 H new ATOM 0 HB2 SER B 17 93.033 -15.513 44.292 1.00 0.00 H new ATOM 0 HB3 SER B 17 92.563 -17.136 44.754 1.00 0.00 H new ATOM 0 HG SER B 17 94.231 -16.277 46.141 1.00 0.00 H new ATOM 1106 N ASN B 18 96.172 -16.994 42.477 1.00 0.00 N ATOM 1107 CA ASN B 18 97.435 -16.313 42.067 1.00 0.00 C ATOM 1108 C ASN B 18 97.456 -16.124 40.550 1.00 0.00 C ATOM 1109 O ASN B 18 98.145 -16.824 39.835 1.00 0.00 O ATOM 1110 CB ASN B 18 98.636 -17.165 42.476 1.00 0.00 C ATOM 1111 CG ASN B 18 98.786 -17.157 43.996 1.00 0.00 C ATOM 1112 OD1 ASN B 18 98.273 -16.283 44.666 1.00 0.00 O ATOM 1113 ND2 ASN B 18 99.491 -18.092 44.569 1.00 0.00 N ATOM 0 H ASN B 18 96.258 -17.990 42.678 1.00 0.00 H new ATOM 0 HA ASN B 18 97.486 -15.341 42.558 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.506 -18.187 42.120 1.00 0.00 H new ATOM 0 HB3 ASN B 18 99.543 -16.778 42.010 1.00 0.00 H new ATOM 0 HD21 ASN B 18 99.613 -18.091 45.582 1.00 0.00 H new ATOM 0 HD22 ASN B 18 99.921 -18.825 44.005 1.00 0.00 H new ATOM 1120 N TRP B 19 96.717 -15.171 40.055 1.00 0.00 N ATOM 1121 CA TRP B 19 96.707 -14.926 38.588 1.00 0.00 C ATOM 1122 C TRP B 19 98.056 -14.338 38.164 1.00 0.00 C ATOM 1123 O TRP B 19 98.456 -14.437 37.021 1.00 0.00 O ATOM 1124 CB TRP B 19 95.585 -13.942 38.248 1.00 0.00 C ATOM 1125 CG TRP B 19 95.784 -12.672 39.010 1.00 0.00 C ATOM 1126 CD1 TRP B 19 95.237 -12.395 40.217 1.00 0.00 C ATOM 1127 CD2 TRP B 19 96.579 -11.509 38.644 1.00 0.00 C ATOM 1128 NE1 TRP B 19 95.641 -11.132 40.611 1.00 0.00 N ATOM 1129 CE2 TRP B 19 96.471 -10.546 39.676 1.00 0.00 C ATOM 1130 CE3 TRP B 19 97.376 -11.199 37.527 1.00 0.00 C ATOM 1131 CZ2 TRP B 19 97.130 -9.319 39.601 1.00 0.00 C ATOM 1132 CZ3 TRP B 19 98.040 -9.966 37.449 1.00 0.00 C ATOM 1133 CH2 TRP B 19 97.917 -9.027 38.483 1.00 0.00 C ATOM 0 H TRP B 19 96.120 -14.552 40.603 1.00 0.00 H new ATOM 0 HA TRP B 19 96.539 -15.864 38.058 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.578 -13.738 37.177 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.617 -14.379 38.495 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.591 -13.052 40.780 1.00 0.00 H new ATOM 0 HE1 TRP B 19 95.360 -10.688 41.485 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.477 -11.915 36.725 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.033 -8.600 40.401 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 98.650 -9.738 36.587 1.00 0.00 H new ATOM 0 HH2 TRP B 19 98.430 -8.079 38.416 1.00 0.00 H new ATOM 1144 N ARG B 20 98.754 -13.721 39.077 1.00 0.00 N ATOM 1145 CA ARG B 20 100.075 -13.118 38.736 1.00 0.00 C ATOM 1146 C ARG B 20 101.032 -14.202 38.235 1.00 0.00 C ATOM 1147 O ARG B 20 101.792 -13.993 37.309 1.00 0.00 O ATOM 1148 CB ARG B 20 100.669 -12.461 39.983 1.00 0.00 C ATOM 1149 CG ARG B 20 99.859 -11.213 40.342 1.00 0.00 C ATOM 1150 CD ARG B 20 100.454 -10.554 41.588 1.00 0.00 C ATOM 1151 NE ARG B 20 99.612 -9.389 41.979 1.00 0.00 N ATOM 1152 CZ ARG B 20 99.756 -8.843 43.156 1.00 0.00 C ATOM 1153 NH1 ARG B 20 100.656 -9.298 43.983 1.00 0.00 N ATOM 1154 NH2 ARG B 20 99.002 -7.836 43.503 1.00 0.00 N ATOM 0 H ARG B 20 98.466 -13.608 40.049 1.00 0.00 H new ATOM 0 HA ARG B 20 99.935 -12.372 37.954 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.660 -13.164 40.816 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.710 -12.192 39.804 1.00 0.00 H new ATOM 0 HG2 ARG B 20 99.866 -10.511 39.509 1.00 0.00 H new ATOM 0 HG3 ARG B 20 98.818 -11.482 40.523 1.00 0.00 H new ATOM 0 HD2 ARG B 20 100.502 -11.273 42.406 1.00 0.00 H new ATOM 0 HD3 ARG B 20 101.475 -10.229 41.389 1.00 0.00 H new ATOM 0 HE ARG B 20 98.922 -9.017 41.326 1.00 0.00 H new ATOM 0 HH11 ARG B 20 101.249 -10.082 43.711 1.00 0.00 H new ATOM 0 HH12 ARG B 20 100.767 -8.870 44.902 1.00 0.00 H new ATOM 0 HH21 ARG B 20 98.301 -7.476 42.855 1.00 0.00 H new ATOM 0 HH22 ARG B 20 99.113 -7.408 44.422 1.00 0.00 H new ATOM 1168 N ALA B 21 101.009 -15.354 38.843 1.00 0.00 N ATOM 1169 CA ALA B 21 101.925 -16.446 38.408 1.00 0.00 C ATOM 1170 C ALA B 21 101.551 -16.894 36.992 1.00 0.00 C ATOM 1171 O ALA B 21 102.405 -17.164 36.169 1.00 0.00 O ATOM 1172 CB ALA B 21 101.797 -17.628 39.376 1.00 0.00 C ATOM 0 H ALA B 21 100.395 -15.588 39.623 1.00 0.00 H new ATOM 0 HA ALA B 21 102.954 -16.085 38.409 1.00 0.00 H new ATOM 0 HB1 ALA B 21 102.465 -18.430 39.062 1.00 0.00 H new ATOM 0 HB2 ALA B 21 102.065 -17.305 40.382 1.00 0.00 H new ATOM 0 HB3 ALA B 21 100.769 -17.991 39.373 1.00 0.00 H new ATOM 1178 N MET B 22 100.283 -16.977 36.701 1.00 0.00 N ATOM 1179 CA MET B 22 99.852 -17.408 35.341 1.00 0.00 C ATOM 1180 C MET B 22 100.363 -16.412 34.297 1.00 0.00 C ATOM 1181 O MET B 22 100.832 -16.787 33.241 1.00 0.00 O ATOM 1182 CB MET B 22 98.323 -17.449 35.293 1.00 0.00 C ATOM 1183 CG MET B 22 97.858 -18.200 34.041 1.00 0.00 C ATOM 1184 SD MET B 22 96.133 -17.772 33.684 1.00 0.00 S ATOM 1185 CE MET B 22 95.477 -17.997 35.356 1.00 0.00 C ATOM 0 H MET B 22 99.524 -16.764 37.348 1.00 0.00 H new ATOM 0 HA MET B 22 100.259 -18.396 35.126 1.00 0.00 H new ATOM 0 HB2 MET B 22 97.936 -17.940 36.186 1.00 0.00 H new ATOM 0 HB3 MET B 22 97.924 -16.435 35.288 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.491 -17.941 33.192 1.00 0.00 H new ATOM 0 HG3 MET B 22 97.953 -19.275 34.193 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.397 -18.133 35.308 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.934 -18.876 35.811 1.00 0.00 H new ATOM 0 HE3 MET B 22 95.705 -17.117 35.958 1.00 0.00 H new ATOM 1195 N ALA B 23 100.269 -15.141 34.585 1.00 0.00 N ATOM 1196 CA ALA B 23 100.743 -14.113 33.617 1.00 0.00 C ATOM 1197 C ALA B 23 102.236 -14.312 33.340 1.00 0.00 C ATOM 1198 O ALA B 23 102.698 -14.171 32.226 1.00 0.00 O ATOM 1199 CB ALA B 23 100.517 -12.719 34.210 1.00 0.00 C ATOM 0 H ALA B 23 99.882 -14.771 35.453 1.00 0.00 H new ATOM 0 HA ALA B 23 100.188 -14.211 32.684 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.863 -11.963 33.505 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.454 -12.574 34.405 1.00 0.00 H new ATOM 0 HB3 ALA B 23 101.073 -12.626 35.143 1.00 0.00 H new ATOM 1205 N SER B 24 102.994 -14.626 34.354 1.00 0.00 N ATOM 1206 CA SER B 24 104.460 -14.818 34.170 1.00 0.00 C ATOM 1207 C SER B 24 104.739 -16.044 33.294 1.00 0.00 C ATOM 1208 O SER B 24 105.627 -16.033 32.466 1.00 0.00 O ATOM 1209 CB SER B 24 105.121 -15.009 35.535 1.00 0.00 C ATOM 1210 OG SER B 24 106.529 -15.104 35.366 1.00 0.00 O ATOM 0 H SER B 24 102.659 -14.759 35.308 1.00 0.00 H new ATOM 0 HA SER B 24 104.869 -13.936 33.677 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.877 -14.173 36.190 1.00 0.00 H new ATOM 0 HB3 SER B 24 104.739 -15.911 36.014 1.00 0.00 H new ATOM 0 HG SER B 24 106.956 -15.225 36.240 1.00 0.00 H new ATOM 1216 N ASP B 25 104.001 -17.105 33.474 1.00 0.00 N ATOM 1217 CA ASP B 25 104.250 -18.329 32.656 1.00 0.00 C ATOM 1218 C ASP B 25 103.839 -18.089 31.205 1.00 0.00 C ATOM 1219 O ASP B 25 104.508 -18.516 30.286 1.00 0.00 O ATOM 1220 CB ASP B 25 103.436 -19.494 33.219 1.00 0.00 C ATOM 1221 CG ASP B 25 104.022 -19.929 34.563 1.00 0.00 C ATOM 1222 OD1 ASP B 25 105.114 -19.487 34.882 1.00 0.00 O ATOM 1223 OD2 ASP B 25 103.370 -20.694 35.251 1.00 0.00 O ATOM 0 H ASP B 25 103.239 -17.179 34.148 1.00 0.00 H new ATOM 0 HA ASP B 25 105.314 -18.565 32.693 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.395 -19.196 33.344 1.00 0.00 H new ATOM 0 HB3 ASP B 25 103.446 -20.330 32.519 1.00 0.00 H new ATOM 1228 N PHE B 26 102.746 -17.412 30.988 1.00 0.00 N ATOM 1229 CA PHE B 26 102.288 -17.144 29.589 1.00 0.00 C ATOM 1230 C PHE B 26 102.749 -15.750 29.157 1.00 0.00 C ATOM 1231 O PHE B 26 102.529 -15.333 28.038 1.00 0.00 O ATOM 1232 CB PHE B 26 100.762 -17.232 29.539 1.00 0.00 C ATOM 1233 CG PHE B 26 100.340 -18.677 29.691 1.00 0.00 C ATOM 1234 CD1 PHE B 26 100.161 -19.226 30.968 1.00 0.00 C ATOM 1235 CD2 PHE B 26 100.127 -19.469 28.554 1.00 0.00 C ATOM 1236 CE1 PHE B 26 99.770 -20.565 31.105 1.00 0.00 C ATOM 1237 CE2 PHE B 26 99.736 -20.806 28.694 1.00 0.00 C ATOM 1238 CZ PHE B 26 99.558 -21.354 29.969 1.00 0.00 C ATOM 0 H PHE B 26 102.146 -17.030 31.719 1.00 0.00 H new ATOM 0 HA PHE B 26 102.715 -17.882 28.910 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.325 -16.628 30.334 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.394 -16.831 28.595 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.324 -18.618 31.846 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.265 -19.047 27.569 1.00 0.00 H new ATOM 0 HE1 PHE B 26 99.632 -20.988 32.089 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.572 -21.415 27.817 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.257 -22.386 30.076 1.00 0.00 H new ATOM 1248 N ASN B 27 103.403 -15.034 30.033 1.00 0.00 N ATOM 1249 CA ASN B 27 103.899 -13.673 29.677 1.00 0.00 C ATOM 1250 C ASN B 27 102.751 -12.819 29.132 1.00 0.00 C ATOM 1251 O ASN B 27 102.904 -12.115 28.153 1.00 0.00 O ATOM 1252 CB ASN B 27 104.996 -13.795 28.618 1.00 0.00 C ATOM 1253 CG ASN B 27 106.146 -14.633 29.177 1.00 0.00 C ATOM 1254 OD1 ASN B 27 106.617 -15.547 28.530 1.00 0.00 O ATOM 1255 ND2 ASN B 27 106.618 -14.363 30.364 1.00 0.00 N ATOM 0 H ASN B 27 103.616 -15.335 30.984 1.00 0.00 H new ATOM 0 HA ASN B 27 104.302 -13.194 30.570 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.597 -14.260 27.716 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.356 -12.806 28.335 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.382 -14.919 30.748 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.223 -13.596 30.908 1.00 0.00 H new ATOM 1262 N LEU B 28 101.605 -12.870 29.766 1.00 0.00 N ATOM 1263 CA LEU B 28 100.430 -12.059 29.303 1.00 0.00 C ATOM 1264 C LEU B 28 100.118 -10.990 30.361 1.00 0.00 C ATOM 1265 O LEU B 28 100.389 -11.185 31.530 1.00 0.00 O ATOM 1266 CB LEU B 28 99.218 -12.984 29.153 1.00 0.00 C ATOM 1267 CG LEU B 28 99.422 -13.925 27.952 1.00 0.00 C ATOM 1268 CD1 LEU B 28 98.449 -15.104 28.053 1.00 0.00 C ATOM 1269 CD2 LEU B 28 99.175 -13.169 26.631 1.00 0.00 C ATOM 0 H LEU B 28 101.430 -13.443 30.592 1.00 0.00 H new ATOM 0 HA LEU B 28 100.654 -11.583 28.348 1.00 0.00 H new ATOM 0 HB2 LEU B 28 99.080 -13.567 30.063 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.313 -12.392 29.013 1.00 0.00 H new ATOM 0 HG LEU B 28 100.448 -14.292 27.964 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.594 -15.770 27.202 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.635 -15.651 28.977 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.425 -14.732 28.051 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.323 -13.847 25.791 1.00 0.00 H new ATOM 0 HD22 LEU B 28 98.154 -12.789 26.615 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.874 -12.336 26.552 1.00 0.00 H new ATOM 1281 N PRO B 29 99.559 -9.864 29.970 1.00 0.00 N ATOM 1282 CA PRO B 29 99.228 -8.769 30.929 1.00 0.00 C ATOM 1283 C PRO B 29 98.009 -9.112 31.812 1.00 0.00 C ATOM 1284 O PRO B 29 97.166 -9.898 31.428 1.00 0.00 O ATOM 1285 CB PRO B 29 98.930 -7.573 30.015 1.00 0.00 C ATOM 1286 CG PRO B 29 98.425 -8.184 28.749 1.00 0.00 C ATOM 1287 CD PRO B 29 99.183 -9.505 28.586 1.00 0.00 C ATOM 0 HA PRO B 29 100.037 -8.582 31.636 1.00 0.00 H new ATOM 0 HB2 PRO B 29 98.188 -6.910 30.459 1.00 0.00 H new ATOM 0 HB3 PRO B 29 99.825 -6.976 29.838 1.00 0.00 H new ATOM 0 HG2 PRO B 29 97.350 -8.355 28.800 1.00 0.00 H new ATOM 0 HG3 PRO B 29 98.603 -7.525 27.899 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.558 -10.272 28.129 1.00 0.00 H new ATOM 0 HD3 PRO B 29 100.060 -9.388 27.950 1.00 0.00 H new ATOM 1295 N PRO B 30 97.915 -8.526 32.987 1.00 0.00 N ATOM 1296 CA PRO B 30 96.782 -8.775 33.930 1.00 0.00 C ATOM 1297 C PRO B 30 95.409 -8.863 33.243 1.00 0.00 C ATOM 1298 O PRO B 30 94.492 -9.475 33.756 1.00 0.00 O ATOM 1299 CB PRO B 30 96.822 -7.559 34.865 1.00 0.00 C ATOM 1300 CG PRO B 30 98.253 -7.118 34.887 1.00 0.00 C ATOM 1301 CD PRO B 30 98.880 -7.560 33.555 1.00 0.00 C ATOM 0 HA PRO B 30 96.898 -9.737 34.429 1.00 0.00 H new ATOM 0 HB2 PRO B 30 96.172 -6.763 34.502 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.477 -7.821 35.865 1.00 0.00 H new ATOM 0 HG2 PRO B 30 98.321 -6.037 35.005 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.781 -7.565 35.729 1.00 0.00 H new ATOM 0 HD2 PRO B 30 99.030 -6.712 32.887 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.856 -8.020 33.710 1.00 0.00 H new ATOM 1309 N VAL B 31 95.244 -8.235 32.113 1.00 0.00 N ATOM 1310 CA VAL B 31 93.912 -8.266 31.439 1.00 0.00 C ATOM 1311 C VAL B 31 93.516 -9.709 31.112 1.00 0.00 C ATOM 1312 O VAL B 31 92.418 -10.140 31.408 1.00 0.00 O ATOM 1313 CB VAL B 31 93.983 -7.457 30.137 1.00 0.00 C ATOM 1314 CG1 VAL B 31 92.700 -7.665 29.317 1.00 0.00 C ATOM 1315 CG2 VAL B 31 94.140 -5.972 30.470 1.00 0.00 C ATOM 0 H VAL B 31 95.967 -7.704 31.628 1.00 0.00 H new ATOM 0 HA VAL B 31 93.167 -7.834 32.108 1.00 0.00 H new ATOM 0 HB VAL B 31 94.838 -7.795 29.552 1.00 0.00 H new ATOM 0 HG11 VAL B 31 92.760 -7.087 28.395 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.590 -8.722 29.076 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.839 -7.334 29.898 1.00 0.00 H new ATOM 0 HG21 VAL B 31 94.191 -5.395 29.546 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.286 -5.639 31.059 1.00 0.00 H new ATOM 0 HG23 VAL B 31 95.056 -5.822 31.042 1.00 0.00 H new ATOM 1325 N VAL B 32 94.386 -10.455 30.497 1.00 0.00 N ATOM 1326 CA VAL B 32 94.033 -11.858 30.147 1.00 0.00 C ATOM 1327 C VAL B 32 94.051 -12.740 31.397 1.00 0.00 C ATOM 1328 O VAL B 32 93.195 -13.579 31.580 1.00 0.00 O ATOM 1329 CB VAL B 32 95.028 -12.397 29.119 1.00 0.00 C ATOM 1330 CG1 VAL B 32 94.726 -13.874 28.839 1.00 0.00 C ATOM 1331 CG2 VAL B 32 94.893 -11.593 27.823 1.00 0.00 C ATOM 0 H VAL B 32 95.322 -10.158 30.222 1.00 0.00 H new ATOM 0 HA VAL B 32 93.029 -11.873 29.723 1.00 0.00 H new ATOM 0 HB VAL B 32 96.043 -12.304 29.506 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.436 -14.258 28.106 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.814 -14.445 29.763 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.713 -13.971 28.448 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.600 -11.972 27.085 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.878 -11.691 27.438 1.00 0.00 H new ATOM 0 HG23 VAL B 32 95.105 -10.543 28.023 1.00 0.00 H new ATOM 1341 N ALA B 33 95.019 -12.569 32.257 1.00 0.00 N ATOM 1342 CA ALA B 33 95.072 -13.421 33.479 1.00 0.00 C ATOM 1343 C ALA B 33 93.810 -13.204 34.315 1.00 0.00 C ATOM 1344 O ALA B 33 93.129 -14.141 34.680 1.00 0.00 O ATOM 1345 CB ALA B 33 96.312 -13.062 34.302 1.00 0.00 C ATOM 0 H ALA B 33 95.769 -11.883 32.168 1.00 0.00 H new ATOM 0 HA ALA B 33 95.128 -14.470 33.186 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.349 -13.686 35.195 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.207 -13.231 33.704 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.264 -12.013 34.594 1.00 0.00 H new ATOM 1351 N LYS B 34 93.481 -11.978 34.609 1.00 0.00 N ATOM 1352 CA LYS B 34 92.249 -11.712 35.406 1.00 0.00 C ATOM 1353 C LYS B 34 91.022 -12.246 34.667 1.00 0.00 C ATOM 1354 O LYS B 34 90.113 -12.789 35.261 1.00 0.00 O ATOM 1355 CB LYS B 34 92.091 -10.209 35.638 1.00 0.00 C ATOM 1356 CG LYS B 34 93.163 -9.727 36.615 1.00 0.00 C ATOM 1357 CD LYS B 34 93.006 -8.224 36.848 1.00 0.00 C ATOM 1358 CE LYS B 34 94.017 -7.767 37.899 1.00 0.00 C ATOM 1359 NZ LYS B 34 93.574 -8.236 39.242 1.00 0.00 N ATOM 0 H LYS B 34 94.009 -11.150 34.334 1.00 0.00 H new ATOM 0 HA LYS B 34 92.338 -12.217 36.368 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.179 -9.673 34.693 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.099 -9.994 36.035 1.00 0.00 H new ATOM 0 HG2 LYS B 34 93.075 -10.263 37.560 1.00 0.00 H new ATOM 0 HG3 LYS B 34 94.155 -9.942 36.217 1.00 0.00 H new ATOM 0 HD2 LYS B 34 93.163 -7.682 35.916 1.00 0.00 H new ATOM 0 HD3 LYS B 34 91.992 -8.000 37.180 1.00 0.00 H new ATOM 0 HE2 LYS B 34 95.005 -8.167 37.669 1.00 0.00 H new ATOM 0 HE3 LYS B 34 94.103 -6.680 37.890 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 94.089 -7.714 39.979 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 92.553 -8.069 39.349 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 93.770 -9.253 39.337 1.00 0.00 H new ATOM 1373 N GLU B 35 90.982 -12.079 33.375 1.00 0.00 N ATOM 1374 CA GLU B 35 89.807 -12.558 32.594 1.00 0.00 C ATOM 1375 C GLU B 35 89.655 -14.073 32.741 1.00 0.00 C ATOM 1376 O GLU B 35 88.558 -14.582 32.859 1.00 0.00 O ATOM 1377 CB GLU B 35 90.002 -12.208 31.117 1.00 0.00 C ATOM 1378 CG GLU B 35 88.729 -12.545 30.325 1.00 0.00 C ATOM 1379 CD GLU B 35 88.674 -14.047 30.024 1.00 0.00 C ATOM 1380 OE1 GLU B 35 89.724 -14.666 29.971 1.00 0.00 O ATOM 1381 OE2 GLU B 35 87.578 -14.551 29.843 1.00 0.00 O ATOM 0 H GLU B 35 91.714 -11.630 32.824 1.00 0.00 H new ATOM 0 HA GLU B 35 88.908 -12.073 32.974 1.00 0.00 H new ATOM 0 HB2 GLU B 35 90.235 -11.148 31.013 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.849 -12.762 30.712 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.848 -12.249 30.895 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.711 -11.979 29.393 1.00 0.00 H new ATOM 1388 N ILE B 36 90.737 -14.801 32.735 1.00 0.00 N ATOM 1389 CA ILE B 36 90.623 -16.279 32.876 1.00 0.00 C ATOM 1390 C ILE B 36 89.949 -16.586 34.215 1.00 0.00 C ATOM 1391 O ILE B 36 89.089 -17.438 34.310 1.00 0.00 O ATOM 1392 CB ILE B 36 92.020 -16.901 32.817 1.00 0.00 C ATOM 1393 CG1 ILE B 36 92.572 -16.748 31.397 1.00 0.00 C ATOM 1394 CG2 ILE B 36 91.941 -18.386 33.169 1.00 0.00 C ATOM 1395 CD1 ILE B 36 94.060 -17.097 31.385 1.00 0.00 C ATOM 0 H ILE B 36 91.686 -14.441 32.640 1.00 0.00 H new ATOM 0 HA ILE B 36 90.025 -16.699 32.068 1.00 0.00 H new ATOM 0 HB ILE B 36 92.674 -16.398 33.529 1.00 0.00 H new ATOM 0 HG12 ILE B 36 92.030 -17.401 30.713 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.425 -15.726 31.047 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.938 -18.824 33.125 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.538 -18.500 34.175 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.290 -18.894 32.458 1.00 0.00 H new ATOM 0 HD11 ILE B 36 94.451 -16.988 30.374 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.596 -16.426 32.056 1.00 0.00 H new ATOM 0 HD13 ILE B 36 94.195 -18.126 31.717 1.00 0.00 H new ATOM 1407 N VAL B 37 90.301 -15.862 35.240 1.00 0.00 N ATOM 1408 CA VAL B 37 89.651 -16.067 36.565 1.00 0.00 C ATOM 1409 C VAL B 37 88.181 -15.661 36.439 1.00 0.00 C ATOM 1410 O VAL B 37 87.295 -16.295 36.976 1.00 0.00 O ATOM 1411 CB VAL B 37 90.345 -15.187 37.610 1.00 0.00 C ATOM 1412 CG1 VAL B 37 89.541 -15.191 38.914 1.00 0.00 C ATOM 1413 CG2 VAL B 37 91.748 -15.737 37.878 1.00 0.00 C ATOM 0 H VAL B 37 91.014 -15.133 35.217 1.00 0.00 H new ATOM 0 HA VAL B 37 89.727 -17.110 36.874 1.00 0.00 H new ATOM 0 HB VAL B 37 90.412 -14.166 37.234 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.041 -14.563 39.652 1.00 0.00 H new ATOM 0 HG12 VAL B 37 88.540 -14.803 38.726 1.00 0.00 H new ATOM 0 HG13 VAL B 37 89.469 -16.210 39.294 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.247 -15.115 38.621 1.00 0.00 H new ATOM 0 HG22 VAL B 37 91.673 -16.758 38.251 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.324 -15.730 36.953 1.00 0.00 H new ATOM 1423 N ALA B 38 87.927 -14.597 35.728 1.00 0.00 N ATOM 1424 CA ALA B 38 86.527 -14.118 35.547 1.00 0.00 C ATOM 1425 C ALA B 38 85.679 -15.213 34.894 1.00 0.00 C ATOM 1426 O ALA B 38 84.465 -15.176 34.941 1.00 0.00 O ATOM 1427 CB ALA B 38 86.531 -12.875 34.654 1.00 0.00 C ATOM 0 H ALA B 38 88.637 -14.033 35.260 1.00 0.00 H new ATOM 0 HA ALA B 38 86.102 -13.872 36.520 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.509 -12.521 34.519 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.127 -12.092 35.123 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.960 -13.126 33.684 1.00 0.00 H new ATOM 1433 N SER B 39 86.300 -16.189 34.282 1.00 0.00 N ATOM 1434 CA SER B 39 85.513 -17.278 33.631 1.00 0.00 C ATOM 1435 C SER B 39 85.314 -18.406 34.638 1.00 0.00 C ATOM 1436 O SER B 39 84.227 -18.925 34.801 1.00 0.00 O ATOM 1437 CB SER B 39 86.278 -17.809 32.418 1.00 0.00 C ATOM 1438 OG SER B 39 86.269 -16.828 31.389 1.00 0.00 O ATOM 0 H SER B 39 87.313 -16.278 34.205 1.00 0.00 H new ATOM 0 HA SER B 39 84.547 -16.893 33.305 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.304 -18.050 32.698 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.820 -18.731 32.061 1.00 0.00 H new ATOM 0 HG SER B 39 86.760 -17.165 30.611 1.00 0.00 H new ATOM 1444 N CYS B 40 86.350 -18.773 35.335 1.00 0.00 N ATOM 1445 CA CYS B 40 86.213 -19.847 36.351 1.00 0.00 C ATOM 1446 C CYS B 40 85.174 -19.400 37.384 1.00 0.00 C ATOM 1447 O CYS B 40 85.236 -18.302 37.900 1.00 0.00 O ATOM 1448 CB CYS B 40 87.561 -20.073 37.031 1.00 0.00 C ATOM 1449 SG CYS B 40 87.511 -21.606 37.991 1.00 0.00 S ATOM 0 H CYS B 40 87.285 -18.375 35.245 1.00 0.00 H new ATOM 0 HA CYS B 40 85.894 -20.778 35.883 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.352 -20.127 36.283 1.00 0.00 H new ATOM 0 HB3 CYS B 40 87.796 -19.232 37.683 1.00 0.00 H new ATOM 1454 N ASP B 41 84.211 -20.226 37.673 1.00 0.00 N ATOM 1455 CA ASP B 41 83.160 -19.830 38.654 1.00 0.00 C ATOM 1456 C ASP B 41 83.675 -19.952 40.092 1.00 0.00 C ATOM 1457 O ASP B 41 83.291 -19.194 40.960 1.00 0.00 O ATOM 1458 CB ASP B 41 81.936 -20.729 38.473 1.00 0.00 C ATOM 1459 CG ASP B 41 81.249 -20.394 37.147 1.00 0.00 C ATOM 1460 OD1 ASP B 41 81.461 -19.299 36.651 1.00 0.00 O ATOM 1461 OD2 ASP B 41 80.523 -21.238 36.648 1.00 0.00 O ATOM 0 H ASP B 41 84.104 -21.159 37.274 1.00 0.00 H new ATOM 0 HA ASP B 41 82.892 -18.789 38.473 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.236 -21.777 38.485 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.241 -20.587 39.301 1.00 0.00 H new ATOM 1466 N LYS B 42 84.517 -20.911 40.362 1.00 0.00 N ATOM 1467 CA LYS B 42 85.020 -21.083 41.757 1.00 0.00 C ATOM 1468 C LYS B 42 85.976 -19.947 42.139 1.00 0.00 C ATOM 1469 O LYS B 42 85.917 -19.423 43.235 1.00 0.00 O ATOM 1470 CB LYS B 42 85.769 -22.412 41.865 1.00 0.00 C ATOM 1471 CG LYS B 42 84.783 -23.573 41.737 1.00 0.00 C ATOM 1472 CD LYS B 42 85.542 -24.896 41.846 1.00 0.00 C ATOM 1473 CE LYS B 42 84.562 -26.063 41.719 1.00 0.00 C ATOM 1474 NZ LYS B 42 83.522 -25.958 42.780 1.00 0.00 N ATOM 0 H LYS B 42 84.878 -21.580 39.682 1.00 0.00 H new ATOM 0 HA LYS B 42 84.165 -21.069 42.434 1.00 0.00 H new ATOM 0 HB2 LYS B 42 86.526 -22.478 41.084 1.00 0.00 H new ATOM 0 HB3 LYS B 42 86.291 -22.469 42.820 1.00 0.00 H new ATOM 0 HG2 LYS B 42 84.026 -23.510 42.518 1.00 0.00 H new ATOM 0 HG3 LYS B 42 84.261 -23.518 40.782 1.00 0.00 H new ATOM 0 HD2 LYS B 42 86.299 -24.958 41.065 1.00 0.00 H new ATOM 0 HD3 LYS B 42 86.064 -24.949 42.801 1.00 0.00 H new ATOM 0 HE2 LYS B 42 84.094 -26.053 40.735 1.00 0.00 H new ATOM 0 HE3 LYS B 42 85.094 -27.010 41.809 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 83.096 -26.893 42.943 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 83.958 -25.618 43.661 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 82.784 -25.290 42.478 1.00 0.00 H new ATOM 1488 N CYS B 43 86.864 -19.563 41.259 1.00 0.00 N ATOM 1489 CA CYS B 43 87.820 -18.470 41.607 1.00 0.00 C ATOM 1490 C CYS B 43 87.129 -17.111 41.498 1.00 0.00 C ATOM 1491 O CYS B 43 87.457 -16.182 42.210 1.00 0.00 O ATOM 1492 CB CYS B 43 89.024 -18.515 40.666 1.00 0.00 C ATOM 1493 SG CYS B 43 89.938 -20.053 40.939 1.00 0.00 S ATOM 0 H CYS B 43 86.968 -19.955 40.323 1.00 0.00 H new ATOM 0 HA CYS B 43 88.160 -18.612 42.633 1.00 0.00 H new ATOM 0 HB2 CYS B 43 88.693 -18.454 39.629 1.00 0.00 H new ATOM 0 HB3 CYS B 43 89.672 -17.657 40.844 1.00 0.00 H new ATOM 1498 N GLN B 44 86.170 -16.983 40.623 1.00 0.00 N ATOM 1499 CA GLN B 44 85.464 -15.679 40.494 1.00 0.00 C ATOM 1500 C GLN B 44 84.496 -15.524 41.664 1.00 0.00 C ATOM 1501 O GLN B 44 84.644 -14.651 42.496 1.00 0.00 O ATOM 1502 CB GLN B 44 84.693 -15.637 39.171 1.00 0.00 C ATOM 1503 CG GLN B 44 84.010 -14.275 39.019 1.00 0.00 C ATOM 1504 CD GLN B 44 83.298 -14.207 37.667 1.00 0.00 C ATOM 1505 OE1 GLN B 44 82.573 -15.111 37.301 1.00 0.00 O ATOM 1506 NE2 GLN B 44 83.477 -13.164 36.903 1.00 0.00 N ATOM 0 H GLN B 44 85.847 -17.720 39.996 1.00 0.00 H new ATOM 0 HA GLN B 44 86.188 -14.864 40.505 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.373 -15.810 38.336 1.00 0.00 H new ATOM 0 HB3 GLN B 44 83.949 -16.433 39.146 1.00 0.00 H new ATOM 0 HG2 GLN B 44 83.294 -14.124 39.827 1.00 0.00 H new ATOM 0 HG3 GLN B 44 84.748 -13.476 39.094 1.00 0.00 H new ATOM 0 HE21 GLN B 44 84.086 -12.405 37.210 1.00 0.00 H new ATOM 0 HE22 GLN B 44 83.008 -13.108 35.999 1.00 0.00 H new ATOM 1515 N LEU B 45 83.510 -16.373 41.736 1.00 0.00 N ATOM 1516 CA LEU B 45 82.531 -16.292 42.856 1.00 0.00 C ATOM 1517 C LEU B 45 83.075 -17.076 44.051 1.00 0.00 C ATOM 1518 O LEU B 45 83.418 -18.237 43.941 1.00 0.00 O ATOM 1519 CB LEU B 45 81.202 -16.908 42.411 1.00 0.00 C ATOM 1520 CG LEU B 45 80.700 -16.207 41.141 1.00 0.00 C ATOM 1521 CD1 LEU B 45 79.382 -16.850 40.700 1.00 0.00 C ATOM 1522 CD2 LEU B 45 80.477 -14.709 41.416 1.00 0.00 C ATOM 0 H LEU B 45 83.339 -17.122 41.065 1.00 0.00 H new ATOM 0 HA LEU B 45 82.375 -15.250 43.137 1.00 0.00 H new ATOM 0 HB2 LEU B 45 81.331 -17.974 42.222 1.00 0.00 H new ATOM 0 HB3 LEU B 45 80.463 -16.812 43.206 1.00 0.00 H new ATOM 0 HG LEU B 45 81.445 -16.313 40.353 1.00 0.00 H new ATOM 0 HD11 LEU B 45 79.020 -16.356 39.798 1.00 0.00 H new ATOM 0 HD12 LEU B 45 79.544 -17.908 40.494 1.00 0.00 H new ATOM 0 HD13 LEU B 45 78.642 -16.744 41.493 1.00 0.00 H new ATOM 0 HD21 LEU B 45 80.121 -14.222 40.508 1.00 0.00 H new ATOM 0 HD22 LEU B 45 79.736 -14.591 42.206 1.00 0.00 H new ATOM 0 HD23 LEU B 45 81.416 -14.253 41.728 1.00 0.00 H new ATOM 1534 N LYS B 46 83.155 -16.453 45.194 1.00 0.00 N ATOM 1535 CA LYS B 46 83.675 -17.165 46.396 1.00 0.00 C ATOM 1536 C LYS B 46 82.559 -18.034 46.986 1.00 0.00 C ATOM 1537 O LYS B 46 81.390 -17.805 46.749 1.00 0.00 O ATOM 1538 CB LYS B 46 84.144 -16.138 47.443 1.00 0.00 C ATOM 1539 CG LYS B 46 83.219 -14.899 47.430 1.00 0.00 C ATOM 1540 CD LYS B 46 83.791 -13.811 46.511 1.00 0.00 C ATOM 1541 CE LYS B 46 82.772 -12.681 46.372 1.00 0.00 C ATOM 1542 NZ LYS B 46 81.515 -13.216 45.776 1.00 0.00 N ATOM 0 H LYS B 46 82.883 -15.482 45.348 1.00 0.00 H new ATOM 0 HA LYS B 46 84.518 -17.795 46.114 1.00 0.00 H new ATOM 0 HB2 LYS B 46 84.142 -16.592 48.434 1.00 0.00 H new ATOM 0 HB3 LYS B 46 85.170 -15.837 47.233 1.00 0.00 H new ATOM 0 HG2 LYS B 46 82.224 -15.184 47.090 1.00 0.00 H new ATOM 0 HG3 LYS B 46 83.110 -14.508 48.442 1.00 0.00 H new ATOM 0 HD2 LYS B 46 84.725 -13.426 46.921 1.00 0.00 H new ATOM 0 HD3 LYS B 46 84.022 -14.230 45.532 1.00 0.00 H new ATOM 0 HE2 LYS B 46 82.566 -12.241 47.348 1.00 0.00 H new ATOM 0 HE3 LYS B 46 83.176 -11.888 45.743 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 80.873 -12.428 45.556 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 81.738 -13.735 44.903 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 81.056 -13.858 46.453 1.00 0.00 H new ATOM 1556 N GLY B 47 82.911 -19.027 47.759 1.00 0.00 N ATOM 1557 CA GLY B 47 81.867 -19.904 48.367 1.00 0.00 C ATOM 1558 C GLY B 47 81.294 -19.228 49.616 1.00 0.00 C ATOM 1559 O GLY B 47 80.363 -19.715 50.226 1.00 0.00 O ATOM 0 H GLY B 47 83.873 -19.269 47.995 1.00 0.00 H new ATOM 0 HA2 GLY B 47 81.072 -20.094 47.646 1.00 0.00 H new ATOM 0 HA3 GLY B 47 82.297 -20.871 48.629 1.00 0.00 H new ATOM 1563 N GLU B 48 81.846 -18.109 50.002 1.00 0.00 N ATOM 1564 CA GLU B 48 81.340 -17.400 51.213 1.00 0.00 C ATOM 1565 C GLU B 48 80.112 -16.566 50.839 1.00 0.00 C ATOM 1566 O GLU B 48 80.127 -15.813 49.885 1.00 0.00 O ATOM 1567 CB GLU B 48 82.440 -16.478 51.751 1.00 0.00 C ATOM 1568 CG GLU B 48 82.010 -15.870 53.091 1.00 0.00 C ATOM 1569 CD GLU B 48 81.990 -16.960 54.165 1.00 0.00 C ATOM 1570 OE1 GLU B 48 82.613 -17.987 53.950 1.00 0.00 O ATOM 1571 OE2 GLU B 48 81.352 -16.750 55.183 1.00 0.00 O ATOM 0 H GLU B 48 82.627 -17.654 49.530 1.00 0.00 H new ATOM 0 HA GLU B 48 81.064 -18.127 51.977 1.00 0.00 H new ATOM 0 HB2 GLU B 48 83.366 -17.039 51.878 1.00 0.00 H new ATOM 0 HB3 GLU B 48 82.644 -15.685 51.032 1.00 0.00 H new ATOM 0 HG2 GLU B 48 82.697 -15.074 53.378 1.00 0.00 H new ATOM 0 HG3 GLU B 48 81.022 -15.419 52.997 1.00 0.00 H new ATOM 1578 N ALA B 49 79.047 -16.695 51.582 1.00 0.00 N ATOM 1579 CA ALA B 49 77.819 -15.910 51.269 1.00 0.00 C ATOM 1580 C ALA B 49 76.841 -16.009 52.442 1.00 0.00 C ATOM 1581 O ALA B 49 76.599 -15.048 53.145 1.00 0.00 O ATOM 1582 CB ALA B 49 77.165 -16.466 50.004 1.00 0.00 C ATOM 0 H ALA B 49 78.974 -17.310 52.392 1.00 0.00 H new ATOM 0 HA ALA B 49 78.085 -14.866 51.106 1.00 0.00 H new ATOM 0 HB1 ALA B 49 76.267 -15.891 49.776 1.00 0.00 H new ATOM 0 HB2 ALA B 49 77.864 -16.393 49.171 1.00 0.00 H new ATOM 0 HB3 ALA B 49 76.897 -17.511 50.162 1.00 0.00 H new ATOM 1588 N MET B 50 76.283 -17.167 52.661 1.00 0.00 N ATOM 1589 CA MET B 50 75.329 -17.332 53.793 1.00 0.00 C ATOM 1590 C MET B 50 76.117 -17.416 55.101 1.00 0.00 C ATOM 1591 O MET B 50 77.295 -17.714 55.107 1.00 0.00 O ATOM 1592 CB MET B 50 74.509 -18.609 53.600 1.00 0.00 C ATOM 1593 CG MET B 50 73.564 -18.439 52.409 1.00 0.00 C ATOM 1594 SD MET B 50 72.594 -19.953 52.183 1.00 0.00 S ATOM 1595 CE MET B 50 71.559 -19.812 53.666 1.00 0.00 C ATOM 0 H MET B 50 76.446 -18.006 52.105 1.00 0.00 H new ATOM 0 HA MET B 50 74.651 -16.479 53.827 1.00 0.00 H new ATOM 0 HB2 MET B 50 75.173 -19.457 53.432 1.00 0.00 H new ATOM 0 HB3 MET B 50 73.937 -18.826 54.502 1.00 0.00 H new ATOM 0 HG2 MET B 50 72.900 -17.591 52.577 1.00 0.00 H new ATOM 0 HG3 MET B 50 74.135 -18.223 51.506 1.00 0.00 H new ATOM 0 HE1 MET B 50 70.620 -20.341 53.506 1.00 0.00 H new ATOM 0 HE2 MET B 50 72.081 -20.249 54.517 1.00 0.00 H new ATOM 0 HE3 MET B 50 71.353 -18.761 53.867 1.00 0.00 H new ATOM 1605 N HIS B 51 75.485 -17.142 56.209 1.00 0.00 N ATOM 1606 CA HIS B 51 76.210 -17.192 57.511 1.00 0.00 C ATOM 1607 C HIS B 51 76.382 -18.645 57.961 1.00 0.00 C ATOM 1608 O HIS B 51 77.375 -19.003 58.563 1.00 0.00 O ATOM 1609 CB HIS B 51 75.403 -16.431 58.564 1.00 0.00 C ATOM 1610 CG HIS B 51 73.958 -16.832 58.455 1.00 0.00 C ATOM 1611 ND1 HIS B 51 72.938 -16.384 57.652 1.00 0.00 N flip ATOM 1612 CD2 HIS B 51 73.411 -17.841 59.237 1.00 0.00 C flip ATOM 1613 CE1 HIS B 51 71.780 -17.101 57.930 1.00 0.00 C flip ATOM 1614 NE2 HIS B 51 72.116 -17.966 58.891 1.00 0.00 N flip ATOM 0 H HIS B 51 74.500 -16.886 56.270 1.00 0.00 H new ATOM 0 HA HIS B 51 77.193 -16.736 57.392 1.00 0.00 H new ATOM 0 HB2 HIS B 51 75.781 -16.653 59.562 1.00 0.00 H new ATOM 0 HB3 HIS B 51 75.508 -15.356 58.415 1.00 0.00 H new ATOM 0 HD2 HIS B 51 73.930 -18.420 59.986 1.00 0.00 H new ATOM 0 HE1 HIS B 51 70.812 -16.983 57.466 1.00 0.00 H new ATOM 0 HE2 HIS B 51 71.472 -18.637 59.310 1.00 0.00 H new ATOM 1623 N GLY B 52 75.425 -19.487 57.679 1.00 0.00 N ATOM 1624 CA GLY B 52 75.546 -20.912 58.102 1.00 0.00 C ATOM 1625 C GLY B 52 75.919 -20.969 59.586 1.00 0.00 C ATOM 1626 O GLY B 52 75.990 -19.959 60.256 1.00 0.00 O ATOM 0 H GLY B 52 74.569 -19.252 57.177 1.00 0.00 H new ATOM 0 HA2 GLY B 52 74.605 -21.435 57.931 1.00 0.00 H new ATOM 0 HA3 GLY B 52 76.305 -21.418 57.505 1.00 0.00 H new ATOM 1630 N GLN B 53 76.159 -22.142 60.104 1.00 0.00 N ATOM 1631 CA GLN B 53 76.532 -22.262 61.543 1.00 0.00 C ATOM 1632 C GLN B 53 78.027 -21.977 61.704 1.00 0.00 C ATOM 1633 O GLN B 53 78.809 -22.205 60.804 1.00 0.00 O ATOM 1634 CB GLN B 53 76.230 -23.680 62.028 1.00 0.00 C ATOM 1635 CG GLN B 53 74.719 -23.915 62.010 1.00 0.00 C ATOM 1636 CD GLN B 53 74.422 -25.359 62.419 1.00 0.00 C ATOM 1637 OE1 GLN B 53 75.112 -25.923 63.244 1.00 0.00 O ATOM 1638 NE2 GLN B 53 73.420 -25.987 61.868 1.00 0.00 N ATOM 0 H GLN B 53 76.113 -23.024 59.593 1.00 0.00 H new ATOM 0 HA GLN B 53 75.958 -21.546 62.131 1.00 0.00 H new ATOM 0 HB2 GLN B 53 76.730 -24.408 61.389 1.00 0.00 H new ATOM 0 HB3 GLN B 53 76.619 -23.821 63.037 1.00 0.00 H new ATOM 0 HG2 GLN B 53 74.225 -23.224 62.692 1.00 0.00 H new ATOM 0 HG3 GLN B 53 74.322 -23.719 61.014 1.00 0.00 H new ATOM 0 HE21 GLN B 53 72.840 -25.514 61.175 1.00 0.00 H new ATOM 0 HE22 GLN B 53 73.216 -26.951 62.130 1.00 0.00 H new ATOM 1647 N VAL B 54 78.436 -21.486 62.847 1.00 0.00 N ATOM 1648 CA VAL B 54 79.888 -21.194 63.064 1.00 0.00 C ATOM 1649 C VAL B 54 80.540 -22.385 63.771 1.00 0.00 C ATOM 1650 O VAL B 54 79.997 -22.938 64.707 1.00 0.00 O ATOM 1651 CB VAL B 54 80.034 -19.937 63.930 1.00 0.00 C ATOM 1652 CG1 VAL B 54 79.780 -18.693 63.075 1.00 0.00 C ATOM 1653 CG2 VAL B 54 79.016 -19.981 65.072 1.00 0.00 C ATOM 0 H VAL B 54 77.829 -21.275 63.639 1.00 0.00 H new ATOM 0 HA VAL B 54 80.377 -21.027 62.104 1.00 0.00 H new ATOM 0 HB VAL B 54 81.043 -19.898 64.341 1.00 0.00 H new ATOM 0 HG11 VAL B 54 79.884 -17.800 63.692 1.00 0.00 H new ATOM 0 HG12 VAL B 54 80.503 -18.658 62.260 1.00 0.00 H new ATOM 0 HG13 VAL B 54 78.772 -18.734 62.663 1.00 0.00 H new ATOM 0 HG21 VAL B 54 79.120 -19.087 65.687 1.00 0.00 H new ATOM 0 HG22 VAL B 54 78.008 -20.022 64.659 1.00 0.00 H new ATOM 0 HG23 VAL B 54 79.194 -20.865 65.684 1.00 0.00 H new ATOM 1663 N ASP B 55 81.701 -22.788 63.325 1.00 0.00 N ATOM 1664 CA ASP B 55 82.399 -23.948 63.960 1.00 0.00 C ATOM 1665 C ASP B 55 83.911 -23.716 63.915 1.00 0.00 C ATOM 1666 O ASP B 55 84.442 -23.602 62.822 1.00 0.00 O ATOM 1667 CB ASP B 55 82.061 -25.226 63.190 1.00 0.00 C ATOM 1668 CG ASP B 55 82.672 -26.431 63.909 1.00 0.00 C ATOM 1669 OD1 ASP B 55 83.886 -26.538 63.917 1.00 0.00 O ATOM 1670 OD2 ASP B 55 81.912 -27.226 64.438 1.00 0.00 O ATOM 1671 OXT ASP B 55 84.513 -23.657 64.975 1.00 0.00 O ATOM 0 H ASP B 55 82.199 -22.362 62.544 1.00 0.00 H new ATOM 0 HA ASP B 55 82.074 -24.047 64.996 1.00 0.00 H new ATOM 0 HB2 ASP B 55 80.980 -25.343 63.115 1.00 0.00 H new ATOM 0 HB3 ASP B 55 82.446 -25.163 62.172 1.00 0.00 H new TER 1676 ASP B 55 HETATM 1677 CD CD A 56 79.733 -1.777 35.956 1.00 0.00 CD HETATM 1678 CD CD B 56 89.944 -21.605 38.863 1.00 0.00 CD