USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 560 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 TYR OH : rot 180:sc= -0.271 USER MOD Set 1.2: A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.3: A 57 MET CE :methyl 156:sc= -1.27 (180deg=-3.24!) USER MOD Set 2.1: A 38 TYR OH : rot 28:sc= 0.584 USER MOD Set 2.2: A 42 LYS NZ :NH3+ -175:sc= 0.504 (180deg=-0.0273) USER MOD Set 3.1: A 41 MET CE :methyl -113:sc= -0.103 (180deg=-0.557) USER MOD Set 3.2: A 76 MET CE :methyl 179:sc= -0.318 (180deg=-0.278) USER MOD Set 4.1: A 32 GLN : amide:sc= 2.09 K(o=3.4,f=-3.5) USER MOD Set 4.2: A 40 LYS NZ :NH3+ -135:sc= 1.31 (180deg=0) USER MOD Set 5.1: A 10 CYS SG : rot 180:sc= 0 USER MOD Set 5.2: A 14 HIS : no HD1:sc= -1.4! C(o=0.48!,f=-5.7!) USER MOD Set 5.3: A 19 SER OG : rot 56:sc= 1.88 USER MOD Set 6.1: A 8 LYS NZ :NH3+ 172:sc= 1.74 (180deg=0.595) USER MOD Set 6.2: A 9 SER OG : rot -170:sc= 0.765 USER MOD Single : A 7 TYR OH : rot -142:sc= 1.23 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -145:sc= 0.605 (180deg=-0.117) USER MOD Single : A 23 MET CE :methyl -177:sc= 0 (180deg=-0.00746) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 177:sc= 1.16 (180deg=1.16) USER MOD Single : A 39 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0567) USER MOD Single : A 48 SER OG : rot 65:sc= 1.04 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 70:sc= 1.19 USER MOD Single : A 59 ASN : amide:sc= 0.363 X(o=0.36,f=-0.032) USER MOD Single : A 62 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0136) USER MOD Single : A 63 LYS NZ :NH3+ 173:sc=-0.00158 (180deg=-0.0777) USER MOD Single : A 65 SER OG : rot 17:sc= 0.64 USER MOD Single : A 70 LYS NZ :NH3+ -151:sc= 0.251 (180deg=0.0243) USER MOD Single : A 75 TYR OH : rot -1:sc= 0.913 USER MOD Single : A 77 SER OG : rot -41:sc= 0.703 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 25 N GLY A 3 2.151 -10.084 -4.322 1.00 0.00 N ATOM 26 CA GLY A 3 2.723 -8.875 -3.751 1.00 0.00 C ATOM 27 C GLY A 3 3.325 -8.068 -4.900 1.00 0.00 C ATOM 28 O GLY A 3 2.768 -7.064 -5.345 1.00 0.00 O ATOM 0 HA2 GLY A 3 1.958 -8.295 -3.234 1.00 0.00 H new ATOM 0 HA3 GLY A 3 3.487 -9.123 -3.014 1.00 0.00 H new ATOM 32 N ALA A 4 4.435 -8.585 -5.428 1.00 0.00 N ATOM 33 CA ALA A 4 5.219 -8.004 -6.510 1.00 0.00 C ATOM 34 C ALA A 4 4.336 -7.543 -7.673 1.00 0.00 C ATOM 35 O ALA A 4 4.479 -6.420 -8.156 1.00 0.00 O ATOM 36 CB ALA A 4 6.271 -9.013 -6.979 1.00 0.00 C ATOM 0 H ALA A 4 4.828 -9.465 -5.093 1.00 0.00 H new ATOM 0 HA ALA A 4 5.722 -7.115 -6.130 1.00 0.00 H new ATOM 0 HB1 ALA A 4 6.857 -8.578 -7.788 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.930 -9.264 -6.148 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.776 -9.916 -7.335 1.00 0.00 H new ATOM 42 N ALA A 5 3.416 -8.415 -8.103 1.00 0.00 N ATOM 43 CA ALA A 5 2.482 -8.159 -9.193 1.00 0.00 C ATOM 44 C ALA A 5 1.764 -6.814 -9.059 1.00 0.00 C ATOM 45 O ALA A 5 1.486 -6.175 -10.069 1.00 0.00 O ATOM 46 CB ALA A 5 1.460 -9.297 -9.276 1.00 0.00 C ATOM 0 H ALA A 5 3.302 -9.340 -7.688 1.00 0.00 H new ATOM 0 HA ALA A 5 3.066 -8.112 -10.112 1.00 0.00 H new ATOM 0 HB1 ALA A 5 0.764 -9.102 -10.092 1.00 0.00 H new ATOM 0 HB2 ALA A 5 1.978 -10.239 -9.458 1.00 0.00 H new ATOM 0 HB3 ALA A 5 0.910 -9.361 -8.337 1.00 0.00 H new ATOM 52 N LEU A 6 1.440 -6.395 -7.833 1.00 0.00 N ATOM 53 CA LEU A 6 0.788 -5.116 -7.584 1.00 0.00 C ATOM 54 C LEU A 6 1.861 -4.062 -7.315 1.00 0.00 C ATOM 55 O LEU A 6 1.844 -2.971 -7.892 1.00 0.00 O ATOM 56 CB LEU A 6 -0.175 -5.235 -6.395 1.00 0.00 C ATOM 57 CG LEU A 6 -1.277 -6.284 -6.632 1.00 0.00 C ATOM 58 CD1 LEU A 6 -0.959 -7.601 -5.910 1.00 0.00 C ATOM 59 CD2 LEU A 6 -2.628 -5.758 -6.138 1.00 0.00 C ATOM 0 H LEU A 6 1.624 -6.936 -6.988 1.00 0.00 H new ATOM 0 HA LEU A 6 0.204 -4.819 -8.455 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.388 -5.500 -5.500 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.635 -4.265 -6.206 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.323 -6.473 -7.704 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.756 -8.320 -6.097 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.015 -8.001 -6.281 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.880 -7.418 -4.838 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.397 -6.510 -6.312 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.566 -5.542 -5.071 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.883 -4.846 -6.678 1.00 0.00 H new ATOM 71 N TYR A 7 2.807 -4.414 -6.437 1.00 0.00 N ATOM 72 CA TYR A 7 3.902 -3.559 -6.010 1.00 0.00 C ATOM 73 C TYR A 7 4.557 -2.832 -7.182 1.00 0.00 C ATOM 74 O TYR A 7 4.836 -1.640 -7.088 1.00 0.00 O ATOM 75 CB TYR A 7 4.943 -4.382 -5.250 1.00 0.00 C ATOM 76 CG TYR A 7 5.865 -3.511 -4.429 1.00 0.00 C ATOM 77 CD1 TYR A 7 5.474 -3.094 -3.144 1.00 0.00 C ATOM 78 CD2 TYR A 7 6.988 -2.928 -5.038 1.00 0.00 C ATOM 79 CE1 TYR A 7 6.203 -2.100 -2.474 1.00 0.00 C ATOM 80 CE2 TYR A 7 7.700 -1.920 -4.372 1.00 0.00 C ATOM 81 CZ TYR A 7 7.315 -1.508 -3.086 1.00 0.00 C ATOM 82 OH TYR A 7 7.999 -0.533 -2.427 1.00 0.00 O ATOM 0 H TYR A 7 2.825 -5.333 -5.994 1.00 0.00 H new ATOM 0 HA TYR A 7 3.485 -2.798 -5.350 1.00 0.00 H new ATOM 0 HB2 TYR A 7 4.437 -5.091 -4.596 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.531 -4.966 -5.958 1.00 0.00 H new ATOM 0 HD1 TYR A 7 4.611 -3.540 -2.672 1.00 0.00 H new ATOM 0 HD2 TYR A 7 7.303 -3.255 -6.018 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.906 -1.790 -1.483 1.00 0.00 H new ATOM 0 HE2 TYR A 7 8.550 -1.457 -4.851 1.00 0.00 H new ATOM 0 HH TYR A 7 8.290 0.151 -3.066 1.00 0.00 H new ATOM 92 N LYS A 8 4.791 -3.550 -8.282 1.00 0.00 N ATOM 93 CA LYS A 8 5.404 -3.011 -9.492 1.00 0.00 C ATOM 94 C LYS A 8 4.882 -1.615 -9.877 1.00 0.00 C ATOM 95 O LYS A 8 5.665 -0.772 -10.305 1.00 0.00 O ATOM 96 CB LYS A 8 5.309 -4.037 -10.630 1.00 0.00 C ATOM 97 CG LYS A 8 3.879 -4.405 -11.052 1.00 0.00 C ATOM 98 CD LYS A 8 3.419 -3.614 -12.286 1.00 0.00 C ATOM 99 CE LYS A 8 2.035 -4.071 -12.763 1.00 0.00 C ATOM 100 NZ LYS A 8 1.002 -3.880 -11.730 1.00 0.00 N ATOM 0 H LYS A 8 4.555 -4.540 -8.356 1.00 0.00 H new ATOM 0 HA LYS A 8 6.460 -2.843 -9.283 1.00 0.00 H new ATOM 0 HB2 LYS A 8 5.839 -3.645 -11.498 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.827 -4.946 -10.324 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.828 -5.472 -11.267 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.196 -4.213 -10.224 1.00 0.00 H new ATOM 0 HD2 LYS A 8 3.390 -2.551 -12.048 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.143 -3.741 -13.091 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.759 -3.515 -13.659 1.00 0.00 H new ATOM 0 HE3 LYS A 8 2.078 -5.124 -13.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.064 -4.073 -12.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 1.177 -4.532 -10.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.034 -2.900 -11.384 1.00 0.00 H new ATOM 114 N SER A 9 3.581 -1.345 -9.717 1.00 0.00 N ATOM 115 CA SER A 9 3.023 -0.024 -10.004 1.00 0.00 C ATOM 116 C SER A 9 3.296 0.943 -8.846 1.00 0.00 C ATOM 117 O SER A 9 3.641 2.108 -9.045 1.00 0.00 O ATOM 118 CB SER A 9 1.515 -0.151 -10.242 1.00 0.00 C ATOM 119 OG SER A 9 1.269 -1.030 -11.321 1.00 0.00 O ATOM 0 H SER A 9 2.897 -2.027 -9.390 1.00 0.00 H new ATOM 0 HA SER A 9 3.500 0.375 -10.899 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.026 -0.522 -9.341 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.088 0.829 -10.456 1.00 0.00 H new ATOM 0 HG SER A 9 0.322 -0.986 -11.570 1.00 0.00 H new ATOM 125 N CYS A 10 3.135 0.434 -7.624 1.00 0.00 N ATOM 126 CA CYS A 10 3.293 1.119 -6.352 1.00 0.00 C ATOM 127 C CYS A 10 4.639 1.821 -6.245 1.00 0.00 C ATOM 128 O CYS A 10 4.764 2.865 -5.593 1.00 0.00 O ATOM 129 CB CYS A 10 3.176 0.046 -5.285 1.00 0.00 C ATOM 130 SG CYS A 10 2.490 0.583 -3.762 1.00 0.00 S ATOM 0 H CYS A 10 2.871 -0.543 -7.494 1.00 0.00 H new ATOM 0 HA CYS A 10 2.536 1.896 -6.242 1.00 0.00 H new ATOM 0 HB2 CYS A 10 2.564 -0.767 -5.675 1.00 0.00 H new ATOM 0 HB3 CYS A 10 4.167 -0.365 -5.094 1.00 0.00 H new ATOM 0 HG CYS A 10 2.438 -0.417 -2.933 1.00 0.00 H new ATOM 135 N ILE A 11 5.638 1.227 -6.913 1.00 0.00 N ATOM 136 CA ILE A 11 6.980 1.768 -7.054 1.00 0.00 C ATOM 137 C ILE A 11 6.916 3.269 -7.333 1.00 0.00 C ATOM 138 O ILE A 11 7.739 4.019 -6.809 1.00 0.00 O ATOM 139 CB ILE A 11 7.747 1.043 -8.179 1.00 0.00 C ATOM 140 CG1 ILE A 11 8.046 -0.408 -7.763 1.00 0.00 C ATOM 141 CG2 ILE A 11 9.065 1.751 -8.542 1.00 0.00 C ATOM 142 CD1 ILE A 11 8.787 -1.231 -8.821 1.00 0.00 C ATOM 0 H ILE A 11 5.521 0.329 -7.382 1.00 0.00 H new ATOM 0 HA ILE A 11 7.517 1.607 -6.119 1.00 0.00 H new ATOM 0 HB ILE A 11 7.108 1.058 -9.062 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.639 -0.396 -6.849 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.106 -0.906 -7.526 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.566 1.201 -9.338 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.852 2.765 -8.880 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.711 1.789 -7.665 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.956 -2.240 -8.444 1.00 0.00 H new ATOM 0 HD12 ILE A 11 8.188 -1.279 -9.730 1.00 0.00 H new ATOM 0 HD13 ILE A 11 9.745 -0.761 -9.042 1.00 0.00 H new ATOM 154 N GLY A 12 5.941 3.697 -8.146 1.00 0.00 N ATOM 155 CA GLY A 12 5.719 5.092 -8.486 1.00 0.00 C ATOM 156 C GLY A 12 5.880 6.026 -7.287 1.00 0.00 C ATOM 157 O GLY A 12 6.487 7.086 -7.427 1.00 0.00 O ATOM 0 H GLY A 12 5.276 3.064 -8.590 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.420 5.387 -9.267 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.716 5.206 -8.898 1.00 0.00 H new ATOM 161 N CYS A 13 5.364 5.643 -6.110 1.00 0.00 N ATOM 162 CA CYS A 13 5.450 6.466 -4.919 1.00 0.00 C ATOM 163 C CYS A 13 6.376 5.830 -3.891 1.00 0.00 C ATOM 164 O CYS A 13 7.229 6.515 -3.333 1.00 0.00 O ATOM 165 CB CYS A 13 4.050 6.648 -4.347 1.00 0.00 C ATOM 166 SG CYS A 13 3.080 7.954 -5.164 1.00 0.00 S ATOM 0 H CYS A 13 4.880 4.757 -5.968 1.00 0.00 H new ATOM 0 HA CYS A 13 5.866 7.440 -5.177 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.510 5.704 -4.428 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.130 6.880 -3.285 1.00 0.00 H new ATOM 0 HG CYS A 13 1.906 8.032 -4.612 1.00 0.00 H new ATOM 171 N HIS A 14 6.246 4.523 -3.642 1.00 0.00 N ATOM 172 CA HIS A 14 7.014 3.871 -2.585 1.00 0.00 C ATOM 173 C HIS A 14 8.400 3.372 -3.021 1.00 0.00 C ATOM 174 O HIS A 14 9.182 2.915 -2.187 1.00 0.00 O ATOM 175 CB HIS A 14 6.157 2.775 -1.948 1.00 0.00 C ATOM 176 CG HIS A 14 4.937 3.325 -1.240 1.00 0.00 C ATOM 177 ND1 HIS A 14 4.998 3.996 -0.027 1.00 0.00 N ATOM 178 CD2 HIS A 14 3.616 3.397 -1.607 1.00 0.00 C ATOM 179 CE1 HIS A 14 3.752 4.417 0.258 1.00 0.00 C ATOM 180 NE2 HIS A 14 2.834 3.919 -0.569 1.00 0.00 N ATOM 0 H HIS A 14 5.620 3.902 -4.156 1.00 0.00 H new ATOM 0 HA HIS A 14 7.247 4.626 -1.834 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.839 2.074 -2.719 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.762 2.213 -1.237 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.231 3.092 -2.569 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.521 5.088 1.072 1.00 0.00 H new ATOM 0 HE2 HIS A 14 1.819 3.918 -0.471 1.00 0.00 H new ATOM 188 N GLY A 15 8.756 3.488 -4.299 1.00 0.00 N ATOM 189 CA GLY A 15 10.060 3.048 -4.777 1.00 0.00 C ATOM 190 C GLY A 15 10.162 1.523 -4.772 1.00 0.00 C ATOM 191 O GLY A 15 9.204 0.837 -4.432 1.00 0.00 O ATOM 0 H GLY A 15 8.156 3.885 -5.022 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.226 3.423 -5.787 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.843 3.470 -4.147 1.00 0.00 H new ATOM 195 N ALA A 16 11.320 0.980 -5.150 1.00 0.00 N ATOM 196 CA ALA A 16 11.520 -0.462 -5.252 1.00 0.00 C ATOM 197 C ALA A 16 11.393 -1.184 -3.906 1.00 0.00 C ATOM 198 O ALA A 16 10.675 -2.178 -3.794 1.00 0.00 O ATOM 199 CB ALA A 16 12.886 -0.741 -5.885 1.00 0.00 C ATOM 0 H ALA A 16 12.144 1.529 -5.394 1.00 0.00 H new ATOM 0 HA ALA A 16 10.725 -0.858 -5.884 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.038 -1.818 -5.962 1.00 0.00 H new ATOM 0 HB2 ALA A 16 12.924 -0.297 -6.880 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.670 -0.308 -5.264 1.00 0.00 H new ATOM 205 N ASP A 17 12.117 -0.700 -2.892 1.00 0.00 N ATOM 206 CA ASP A 17 12.203 -1.335 -1.583 1.00 0.00 C ATOM 207 C ASP A 17 12.625 -0.285 -0.552 1.00 0.00 C ATOM 208 O ASP A 17 13.789 -0.252 -0.158 1.00 0.00 O ATOM 209 CB ASP A 17 13.260 -2.457 -1.635 1.00 0.00 C ATOM 210 CG ASP A 17 12.917 -3.601 -2.586 1.00 0.00 C ATOM 211 OD1 ASP A 17 12.072 -4.437 -2.199 1.00 0.00 O ATOM 212 OD2 ASP A 17 13.509 -3.617 -3.687 1.00 0.00 O ATOM 0 H ASP A 17 12.666 0.157 -2.963 1.00 0.00 H new ATOM 0 HA ASP A 17 11.237 -1.757 -1.306 1.00 0.00 H new ATOM 0 HB2 ASP A 17 14.216 -2.026 -1.934 1.00 0.00 H new ATOM 0 HB3 ASP A 17 13.393 -2.862 -0.632 1.00 0.00 H new ATOM 217 N GLY A 18 11.717 0.594 -0.117 1.00 0.00 N ATOM 218 CA GLY A 18 12.110 1.603 0.864 1.00 0.00 C ATOM 219 C GLY A 18 11.023 2.585 1.282 1.00 0.00 C ATOM 220 O GLY A 18 11.084 3.094 2.396 1.00 0.00 O ATOM 0 H GLY A 18 10.742 0.628 -0.416 1.00 0.00 H new ATOM 0 HA2 GLY A 18 12.473 1.092 1.756 1.00 0.00 H new ATOM 0 HA3 GLY A 18 12.948 2.170 0.458 1.00 0.00 H new ATOM 224 N SER A 19 10.035 2.857 0.425 1.00 0.00 N ATOM 225 CA SER A 19 8.961 3.792 0.716 1.00 0.00 C ATOM 226 C SER A 19 9.486 5.223 0.798 1.00 0.00 C ATOM 227 O SER A 19 9.766 5.722 1.886 1.00 0.00 O ATOM 228 CB SER A 19 8.161 3.387 1.951 1.00 0.00 C ATOM 229 OG SER A 19 6.990 4.180 2.012 1.00 0.00 O ATOM 0 H SER A 19 9.964 2.427 -0.497 1.00 0.00 H new ATOM 0 HA SER A 19 8.259 3.756 -0.117 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.900 2.330 1.902 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.759 3.526 2.851 1.00 0.00 H new ATOM 0 HG SER A 19 6.487 4.085 1.177 1.00 0.00 H new ATOM 235 N LYS A 20 9.584 5.891 -0.355 1.00 0.00 N ATOM 236 CA LYS A 20 10.000 7.285 -0.402 1.00 0.00 C ATOM 237 C LYS A 20 9.054 8.142 0.448 1.00 0.00 C ATOM 238 O LYS A 20 7.933 7.729 0.760 1.00 0.00 O ATOM 239 CB LYS A 20 9.989 7.833 -1.841 1.00 0.00 C ATOM 240 CG LYS A 20 10.468 6.866 -2.930 1.00 0.00 C ATOM 241 CD LYS A 20 10.620 7.631 -4.255 1.00 0.00 C ATOM 242 CE LYS A 20 10.482 6.705 -5.469 1.00 0.00 C ATOM 243 NZ LYS A 20 9.072 6.339 -5.704 1.00 0.00 N ATOM 0 H LYS A 20 9.379 5.483 -1.267 1.00 0.00 H new ATOM 0 HA LYS A 20 11.017 7.333 -0.013 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.973 8.146 -2.082 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.614 8.725 -1.874 1.00 0.00 H new ATOM 0 HG2 LYS A 20 11.420 6.419 -2.643 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.755 6.050 -3.047 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.866 8.416 -4.310 1.00 0.00 H new ATOM 0 HD3 LYS A 20 11.593 8.122 -4.281 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.885 7.199 -6.354 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.073 5.803 -5.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.021 5.362 -6.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.541 6.413 -4.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.659 6.983 -6.408 1.00 0.00 H new ATOM 257 N ALA A 21 9.487 9.361 0.778 1.00 0.00 N ATOM 258 CA ALA A 21 8.670 10.332 1.491 1.00 0.00 C ATOM 259 C ALA A 21 7.629 10.879 0.508 1.00 0.00 C ATOM 260 O ALA A 21 7.740 12.006 0.033 1.00 0.00 O ATOM 261 CB ALA A 21 9.577 11.430 2.059 1.00 0.00 C ATOM 0 H ALA A 21 10.423 9.700 0.554 1.00 0.00 H new ATOM 0 HA ALA A 21 8.145 9.882 2.334 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.972 12.161 2.595 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.300 10.987 2.743 1.00 0.00 H new ATOM 0 HB3 ALA A 21 10.105 11.924 1.243 1.00 0.00 H new ATOM 267 N ALA A 22 6.645 10.041 0.171 1.00 0.00 N ATOM 268 CA ALA A 22 5.591 10.335 -0.789 1.00 0.00 C ATOM 269 C ALA A 22 4.660 11.444 -0.282 1.00 0.00 C ATOM 270 O ALA A 22 4.937 12.064 0.745 1.00 0.00 O ATOM 271 CB ALA A 22 4.848 9.033 -1.116 1.00 0.00 C ATOM 0 H ALA A 22 6.562 9.109 0.576 1.00 0.00 H new ATOM 0 HA ALA A 22 6.026 10.723 -1.710 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.055 9.238 -1.835 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.546 8.313 -1.542 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.414 8.623 -0.204 1.00 0.00 H new ATOM 277 N MET A 23 3.561 11.679 -1.014 1.00 0.00 N ATOM 278 CA MET A 23 2.553 12.712 -0.772 1.00 0.00 C ATOM 279 C MET A 23 2.489 13.179 0.691 1.00 0.00 C ATOM 280 O MET A 23 2.082 12.426 1.574 1.00 0.00 O ATOM 281 CB MET A 23 1.173 12.213 -1.236 1.00 0.00 C ATOM 282 CG MET A 23 1.063 12.019 -2.755 1.00 0.00 C ATOM 283 SD MET A 23 1.236 13.508 -3.773 1.00 0.00 S ATOM 284 CE MET A 23 -0.336 14.328 -3.425 1.00 0.00 C ATOM 0 H MET A 23 3.343 11.118 -1.838 1.00 0.00 H new ATOM 0 HA MET A 23 2.852 13.584 -1.354 1.00 0.00 H new ATOM 0 HB2 MET A 23 0.954 11.267 -0.741 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.413 12.924 -0.914 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.825 11.304 -3.064 1.00 0.00 H new ATOM 0 HG3 MET A 23 0.095 11.567 -2.972 1.00 0.00 H new ATOM 0 HE1 MET A 23 -0.411 15.239 -4.019 1.00 0.00 H new ATOM 0 HE2 MET A 23 -1.159 13.660 -3.680 1.00 0.00 H new ATOM 0 HE3 MET A 23 -0.388 14.580 -2.366 1.00 0.00 H new ATOM 294 N GLY A 24 2.893 14.428 0.937 1.00 0.00 N ATOM 295 CA GLY A 24 2.865 15.041 2.258 1.00 0.00 C ATOM 296 C GLY A 24 3.859 14.416 3.238 1.00 0.00 C ATOM 297 O GLY A 24 3.595 14.394 4.437 1.00 0.00 O ATOM 0 H GLY A 24 3.253 15.047 0.210 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.081 16.105 2.161 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.859 14.956 2.669 1.00 0.00 H new ATOM 301 N SER A 25 5.012 13.946 2.748 1.00 0.00 N ATOM 302 CA SER A 25 6.041 13.303 3.558 1.00 0.00 C ATOM 303 C SER A 25 5.451 12.092 4.278 1.00 0.00 C ATOM 304 O SER A 25 5.516 11.975 5.500 1.00 0.00 O ATOM 305 CB SER A 25 6.685 14.295 4.529 1.00 0.00 C ATOM 306 OG SER A 25 7.188 15.406 3.813 1.00 0.00 O ATOM 0 H SER A 25 5.256 14.005 1.759 1.00 0.00 H new ATOM 0 HA SER A 25 6.838 12.951 2.903 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.952 14.626 5.265 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.491 13.809 5.079 1.00 0.00 H new ATOM 0 HG SER A 25 7.598 16.040 4.438 1.00 0.00 H new ATOM 312 N ALA A 26 4.866 11.200 3.484 1.00 0.00 N ATOM 313 CA ALA A 26 4.162 10.025 3.965 1.00 0.00 C ATOM 314 C ALA A 26 5.003 9.138 4.888 1.00 0.00 C ATOM 315 O ALA A 26 6.196 8.947 4.651 1.00 0.00 O ATOM 316 CB ALA A 26 3.676 9.212 2.764 1.00 0.00 C ATOM 0 H ALA A 26 4.871 11.279 2.467 1.00 0.00 H new ATOM 0 HA ALA A 26 3.324 10.377 4.566 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.146 8.327 3.115 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.004 9.822 2.160 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.531 8.907 2.161 1.00 0.00 H new ATOM 322 N LYS A 27 4.368 8.570 5.921 1.00 0.00 N ATOM 323 CA LYS A 27 4.935 7.608 6.827 1.00 0.00 C ATOM 324 C LYS A 27 5.493 6.453 5.994 1.00 0.00 C ATOM 325 O LYS A 27 4.729 5.843 5.244 1.00 0.00 O ATOM 326 CB LYS A 27 3.777 7.086 7.683 1.00 0.00 C ATOM 327 CG LYS A 27 3.566 7.865 8.983 1.00 0.00 C ATOM 328 CD LYS A 27 2.439 7.243 9.823 1.00 0.00 C ATOM 329 CE LYS A 27 1.047 7.577 9.273 1.00 0.00 C ATOM 330 NZ LYS A 27 -0.007 6.817 9.968 1.00 0.00 N ATOM 0 H LYS A 27 3.398 8.791 6.144 1.00 0.00 H new ATOM 0 HA LYS A 27 5.724 8.037 7.445 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.859 7.123 7.096 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.960 6.039 7.924 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.491 7.874 9.559 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.323 8.903 8.754 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.565 6.161 9.851 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.516 7.600 10.850 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.859 8.645 9.382 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.014 7.355 8.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.935 7.068 9.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.160 5.798 9.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.009 7.048 10.982 1.00 0.00 H new ATOM 344 N PRO A 28 6.792 6.136 6.090 1.00 0.00 N ATOM 345 CA PRO A 28 7.350 5.042 5.329 1.00 0.00 C ATOM 346 C PRO A 28 6.607 3.736 5.599 1.00 0.00 C ATOM 347 O PRO A 28 6.344 3.375 6.746 1.00 0.00 O ATOM 348 CB PRO A 28 8.829 4.966 5.721 1.00 0.00 C ATOM 349 CG PRO A 28 9.144 6.402 6.137 1.00 0.00 C ATOM 350 CD PRO A 28 7.838 6.871 6.780 1.00 0.00 C ATOM 0 HA PRO A 28 7.247 5.207 4.257 1.00 0.00 H new ATOM 0 HB2 PRO A 28 8.995 4.263 6.537 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.452 4.640 4.888 1.00 0.00 H new ATOM 0 HG2 PRO A 28 9.977 6.445 6.839 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.416 7.019 5.281 1.00 0.00 H new ATOM 0 HD2 PRO A 28 7.827 6.661 7.850 1.00 0.00 H new ATOM 0 HD3 PRO A 28 7.706 7.947 6.665 1.00 0.00 H new ATOM 358 N VAL A 29 6.248 3.042 4.522 1.00 0.00 N ATOM 359 CA VAL A 29 5.516 1.788 4.558 1.00 0.00 C ATOM 360 C VAL A 29 6.475 0.638 4.872 1.00 0.00 C ATOM 361 O VAL A 29 6.101 -0.342 5.517 1.00 0.00 O ATOM 362 CB VAL A 29 4.769 1.635 3.230 1.00 0.00 C ATOM 363 CG1 VAL A 29 3.736 0.520 3.313 1.00 0.00 C ATOM 364 CG2 VAL A 29 3.983 2.912 2.956 1.00 0.00 C ATOM 0 H VAL A 29 6.467 3.349 3.574 1.00 0.00 H new ATOM 0 HA VAL A 29 4.771 1.774 5.354 1.00 0.00 H new ATOM 0 HB VAL A 29 5.506 1.421 2.456 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.219 0.431 2.358 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.234 -0.421 3.545 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.014 0.751 4.096 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.447 2.814 2.012 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.270 3.080 3.763 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.670 3.756 2.897 1.00 0.00 H new ATOM 374 N LYS A 30 7.719 0.793 4.407 1.00 0.00 N ATOM 375 CA LYS A 30 8.873 -0.047 4.663 1.00 0.00 C ATOM 376 C LYS A 30 8.851 -0.538 6.116 1.00 0.00 C ATOM 377 O LYS A 30 9.190 0.199 7.039 1.00 0.00 O ATOM 378 CB LYS A 30 10.080 0.842 4.327 1.00 0.00 C ATOM 379 CG LYS A 30 11.474 0.463 4.835 1.00 0.00 C ATOM 380 CD LYS A 30 11.993 -0.840 4.230 1.00 0.00 C ATOM 381 CE LYS A 30 13.507 -0.933 4.451 1.00 0.00 C ATOM 382 NZ LYS A 30 14.047 -2.206 3.949 1.00 0.00 N ATOM 0 H LYS A 30 7.954 1.574 3.794 1.00 0.00 H new ATOM 0 HA LYS A 30 8.900 -0.957 4.063 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.139 0.912 3.241 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.860 1.842 4.700 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.171 1.268 4.603 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.446 0.368 5.920 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.494 -1.692 4.690 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.767 -0.875 3.164 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.001 -0.103 3.947 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.727 -0.837 5.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.080 -2.216 4.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.630 -2.995 4.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.813 -2.309 2.941 1.00 0.00 H new ATOM 396 N GLY A 31 8.391 -1.773 6.300 1.00 0.00 N ATOM 397 CA GLY A 31 8.354 -2.462 7.571 1.00 0.00 C ATOM 398 C GLY A 31 7.471 -1.865 8.667 1.00 0.00 C ATOM 399 O GLY A 31 7.866 -1.928 9.829 1.00 0.00 O ATOM 0 H GLY A 31 8.022 -2.336 5.534 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.023 -3.485 7.391 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.373 -2.520 7.953 1.00 0.00 H new ATOM 403 N GLN A 32 6.278 -1.325 8.361 1.00 0.00 N ATOM 404 CA GLN A 32 5.376 -0.915 9.461 1.00 0.00 C ATOM 405 C GLN A 32 5.062 -2.167 10.289 1.00 0.00 C ATOM 406 O GLN A 32 5.252 -2.236 11.500 1.00 0.00 O ATOM 407 CB GLN A 32 4.083 -0.196 9.023 1.00 0.00 C ATOM 408 CG GLN A 32 4.299 0.790 7.875 1.00 0.00 C ATOM 409 CD GLN A 32 3.226 1.884 7.773 1.00 0.00 C ATOM 410 OE1 GLN A 32 2.055 1.604 8.011 1.00 0.00 O ATOM 411 NE2 GLN A 32 3.596 3.113 7.396 1.00 0.00 N ATOM 0 H GLN A 32 5.926 -1.167 7.417 1.00 0.00 H new ATOM 0 HA GLN A 32 5.898 -0.159 10.048 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.346 -0.940 8.720 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.665 0.337 9.877 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.274 1.263 7.996 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.328 0.237 6.936 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.578 3.314 7.205 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.896 3.849 7.299 1.00 0.00 H new ATOM 420 N GLY A 33 4.586 -3.159 9.549 1.00 0.00 N ATOM 421 CA GLY A 33 4.326 -4.537 9.954 1.00 0.00 C ATOM 422 C GLY A 33 3.191 -5.120 9.139 1.00 0.00 C ATOM 423 O GLY A 33 2.256 -4.412 8.802 1.00 0.00 O ATOM 0 H GLY A 33 4.352 -3.010 8.568 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.225 -5.138 9.820 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.076 -4.570 11.014 1.00 0.00 H new ATOM 427 N ALA A 34 3.253 -6.408 8.825 1.00 0.00 N ATOM 428 CA ALA A 34 2.253 -7.101 8.033 1.00 0.00 C ATOM 429 C ALA A 34 0.829 -6.838 8.510 1.00 0.00 C ATOM 430 O ALA A 34 -0.042 -6.601 7.683 1.00 0.00 O ATOM 431 CB ALA A 34 2.557 -8.593 8.047 1.00 0.00 C ATOM 0 H ALA A 34 4.020 -7.011 9.123 1.00 0.00 H new ATOM 0 HA ALA A 34 2.306 -6.714 7.015 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.811 -9.122 7.454 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.546 -8.767 7.624 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.532 -8.960 9.073 1.00 0.00 H new ATOM 437 N GLU A 35 0.578 -6.878 9.821 1.00 0.00 N ATOM 438 CA GLU A 35 -0.757 -6.624 10.350 1.00 0.00 C ATOM 439 C GLU A 35 -1.168 -5.177 10.058 1.00 0.00 C ATOM 440 O GLU A 35 -2.240 -4.933 9.506 1.00 0.00 O ATOM 441 CB GLU A 35 -0.794 -6.949 11.852 1.00 0.00 C ATOM 442 CG GLU A 35 -2.196 -6.778 12.458 1.00 0.00 C ATOM 443 CD GLU A 35 -3.239 -7.666 11.781 1.00 0.00 C ATOM 444 OE1 GLU A 35 -3.069 -8.901 11.864 1.00 0.00 O ATOM 445 OE2 GLU A 35 -4.178 -7.095 11.186 1.00 0.00 O ATOM 0 H GLU A 35 1.281 -7.083 10.530 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.481 -7.273 9.858 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.458 -7.974 12.007 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.093 -6.301 12.378 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.159 -7.013 13.522 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.501 -5.735 12.372 1.00 0.00 H new ATOM 452 N GLU A 36 -0.297 -4.229 10.428 1.00 0.00 N ATOM 453 CA GLU A 36 -0.504 -2.803 10.214 1.00 0.00 C ATOM 454 C GLU A 36 -0.862 -2.576 8.750 1.00 0.00 C ATOM 455 O GLU A 36 -1.919 -2.048 8.410 1.00 0.00 O ATOM 456 CB GLU A 36 0.797 -2.052 10.557 1.00 0.00 C ATOM 457 CG GLU A 36 1.057 -1.950 12.061 1.00 0.00 C ATOM 458 CD GLU A 36 0.082 -0.989 12.735 1.00 0.00 C ATOM 459 OE1 GLU A 36 0.193 0.223 12.449 1.00 0.00 O ATOM 460 OE2 GLU A 36 -0.764 -1.486 13.510 1.00 0.00 O ATOM 0 H GLU A 36 0.586 -4.443 10.893 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.311 -2.435 10.848 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.637 -2.560 10.083 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.752 -1.048 10.134 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.968 -2.937 12.514 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.079 -1.612 12.232 1.00 0.00 H new ATOM 467 N LEU A 37 0.057 -3.007 7.893 1.00 0.00 N ATOM 468 CA LEU A 37 -0.041 -2.911 6.460 1.00 0.00 C ATOM 469 C LEU A 37 -1.359 -3.529 6.001 1.00 0.00 C ATOM 470 O LEU A 37 -2.182 -2.816 5.447 1.00 0.00 O ATOM 471 CB LEU A 37 1.189 -3.590 5.850 1.00 0.00 C ATOM 472 CG LEU A 37 2.494 -2.818 6.113 1.00 0.00 C ATOM 473 CD1 LEU A 37 3.698 -3.714 5.818 1.00 0.00 C ATOM 474 CD2 LEU A 37 2.576 -1.594 5.218 1.00 0.00 C ATOM 0 H LEU A 37 0.923 -3.450 8.201 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.050 -1.874 6.124 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.281 -4.597 6.257 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.045 -3.693 4.775 1.00 0.00 H new ATOM 0 HG LEU A 37 2.502 -2.509 7.158 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.618 -3.161 6.006 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.664 -4.592 6.462 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.671 -4.028 4.775 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.505 -1.059 5.417 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.553 -1.905 4.174 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.729 -0.938 5.420 1.00 0.00 H new ATOM 486 N TYR A 38 -1.586 -4.822 6.242 1.00 0.00 N ATOM 487 CA TYR A 38 -2.802 -5.530 5.856 1.00 0.00 C ATOM 488 C TYR A 38 -4.052 -4.706 6.164 1.00 0.00 C ATOM 489 O TYR A 38 -4.889 -4.485 5.288 1.00 0.00 O ATOM 490 CB TYR A 38 -2.851 -6.908 6.528 1.00 0.00 C ATOM 491 CG TYR A 38 -4.123 -7.700 6.283 1.00 0.00 C ATOM 492 CD1 TYR A 38 -4.666 -7.806 4.987 1.00 0.00 C ATOM 493 CD2 TYR A 38 -4.758 -8.348 7.359 1.00 0.00 C ATOM 494 CE1 TYR A 38 -5.846 -8.539 4.776 1.00 0.00 C ATOM 495 CE2 TYR A 38 -5.921 -9.105 7.141 1.00 0.00 C ATOM 496 CZ TYR A 38 -6.460 -9.207 5.848 1.00 0.00 C ATOM 497 OH TYR A 38 -7.599 -9.923 5.635 1.00 0.00 O ATOM 0 H TYR A 38 -0.911 -5.417 6.723 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.783 -5.680 4.777 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.002 -7.496 6.178 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.725 -6.775 7.603 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.175 -7.323 4.155 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.350 -8.263 8.355 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.281 -8.589 3.789 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.401 -9.608 7.967 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.615 -10.245 4.710 1.00 0.00 H new ATOM 507 N LYS A 39 -4.154 -4.236 7.406 1.00 0.00 N ATOM 508 CA LYS A 39 -5.267 -3.420 7.858 1.00 0.00 C ATOM 509 C LYS A 39 -5.411 -2.164 7.001 1.00 0.00 C ATOM 510 O LYS A 39 -6.512 -1.802 6.605 1.00 0.00 O ATOM 511 CB LYS A 39 -5.021 -3.053 9.323 1.00 0.00 C ATOM 512 CG LYS A 39 -6.290 -2.594 10.042 1.00 0.00 C ATOM 513 CD LYS A 39 -5.937 -2.360 11.515 1.00 0.00 C ATOM 514 CE LYS A 39 -7.145 -1.890 12.333 1.00 0.00 C ATOM 515 NZ LYS A 39 -7.628 -0.569 11.891 1.00 0.00 N ATOM 0 H LYS A 39 -3.457 -4.415 8.129 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.198 -3.979 7.763 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.606 -3.916 9.844 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.274 -2.261 9.373 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.674 -1.679 9.591 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.073 -3.347 9.952 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.547 -3.283 11.944 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.143 -1.616 11.583 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.950 -2.619 12.243 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.873 -1.843 13.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.367 -0.234 12.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.837 0.106 11.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.021 -0.646 10.931 1.00 0.00 H new ATOM 529 N LYS A 40 -4.297 -1.491 6.739 1.00 0.00 N ATOM 530 CA LYS A 40 -4.224 -0.271 5.944 1.00 0.00 C ATOM 531 C LYS A 40 -4.560 -0.529 4.465 1.00 0.00 C ATOM 532 O LYS A 40 -5.400 0.186 3.921 1.00 0.00 O ATOM 533 CB LYS A 40 -2.843 0.345 6.186 1.00 0.00 C ATOM 534 CG LYS A 40 -2.766 0.853 7.637 1.00 0.00 C ATOM 535 CD LYS A 40 -1.325 1.110 8.083 1.00 0.00 C ATOM 536 CE LYS A 40 -1.287 1.520 9.559 1.00 0.00 C ATOM 537 NZ LYS A 40 0.020 2.097 9.914 1.00 0.00 N ATOM 0 H LYS A 40 -3.386 -1.791 7.087 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.982 0.449 6.253 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.064 -0.395 6.005 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.670 1.166 5.490 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.343 1.773 7.729 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.225 0.121 8.301 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.726 0.212 7.933 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.882 1.895 7.470 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.075 2.246 9.759 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.487 0.652 10.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.342 1.696 10.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.712 1.874 9.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.069 3.129 10.005 1.00 0.00 H new ATOM 551 N MET A 41 -3.956 -1.518 3.787 1.00 0.00 N ATOM 552 CA MET A 41 -4.364 -1.840 2.423 1.00 0.00 C ATOM 553 C MET A 41 -5.855 -2.195 2.395 1.00 0.00 C ATOM 554 O MET A 41 -6.558 -1.750 1.489 1.00 0.00 O ATOM 555 CB MET A 41 -3.499 -2.899 1.704 1.00 0.00 C ATOM 556 CG MET A 41 -2.513 -3.776 2.485 1.00 0.00 C ATOM 557 SD MET A 41 -0.917 -2.984 2.798 1.00 0.00 S ATOM 558 CE MET A 41 -0.142 -3.127 1.183 1.00 0.00 C ATOM 0 H MET A 41 -3.200 -2.094 4.157 1.00 0.00 H new ATOM 0 HA MET A 41 -4.191 -0.937 1.838 1.00 0.00 H new ATOM 0 HB2 MET A 41 -4.183 -3.571 1.186 1.00 0.00 H new ATOM 0 HB3 MET A 41 -2.925 -2.376 0.939 1.00 0.00 H new ATOM 0 HG2 MET A 41 -2.964 -4.052 3.438 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.347 -4.700 1.932 1.00 0.00 H new ATOM 0 HE1 MET A 41 0.708 -3.807 1.246 1.00 0.00 H new ATOM 0 HE2 MET A 41 -0.865 -3.516 0.466 1.00 0.00 H new ATOM 0 HE3 MET A 41 0.202 -2.146 0.856 1.00 0.00 H new ATOM 568 N LYS A 42 -6.357 -2.964 3.372 1.00 0.00 N ATOM 569 CA LYS A 42 -7.789 -3.242 3.443 1.00 0.00 C ATOM 570 C LYS A 42 -8.537 -1.914 3.623 1.00 0.00 C ATOM 571 O LYS A 42 -9.547 -1.672 2.974 1.00 0.00 O ATOM 572 CB LYS A 42 -8.082 -4.251 4.562 1.00 0.00 C ATOM 573 CG LYS A 42 -9.544 -4.720 4.515 1.00 0.00 C ATOM 574 CD LYS A 42 -9.894 -5.669 5.671 1.00 0.00 C ATOM 575 CE LYS A 42 -9.060 -6.956 5.695 1.00 0.00 C ATOM 576 NZ LYS A 42 -9.158 -7.710 4.432 1.00 0.00 N ATOM 0 H LYS A 42 -5.800 -3.395 4.109 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.139 -3.703 2.519 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.418 -5.110 4.464 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.874 -3.796 5.530 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.202 -3.852 4.550 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.730 -5.224 3.566 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.757 -5.142 6.615 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.949 -5.933 5.604 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.016 -6.706 5.886 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.393 -7.587 6.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.648 -8.611 4.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.158 -7.899 4.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.738 -7.152 3.661 1.00 0.00 H new ATOM 590 N GLY A 43 -8.012 -1.054 4.495 1.00 0.00 N ATOM 591 CA GLY A 43 -8.427 0.310 4.771 1.00 0.00 C ATOM 592 C GLY A 43 -8.749 1.065 3.485 1.00 0.00 C ATOM 593 O GLY A 43 -9.835 1.629 3.311 1.00 0.00 O ATOM 0 H GLY A 43 -7.216 -1.323 5.074 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.304 0.301 5.419 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.636 0.830 5.312 1.00 0.00 H new ATOM 597 N TYR A 44 -7.734 1.112 2.623 1.00 0.00 N ATOM 598 CA TYR A 44 -7.756 1.773 1.340 1.00 0.00 C ATOM 599 C TYR A 44 -8.735 1.064 0.408 1.00 0.00 C ATOM 600 O TYR A 44 -9.633 1.696 -0.136 1.00 0.00 O ATOM 601 CB TYR A 44 -6.327 1.780 0.786 1.00 0.00 C ATOM 602 CG TYR A 44 -5.394 2.807 1.403 1.00 0.00 C ATOM 603 CD1 TYR A 44 -5.749 4.169 1.400 1.00 0.00 C ATOM 604 CD2 TYR A 44 -4.145 2.420 1.930 1.00 0.00 C ATOM 605 CE1 TYR A 44 -4.946 5.104 2.070 1.00 0.00 C ATOM 606 CE2 TYR A 44 -3.331 3.367 2.575 1.00 0.00 C ATOM 607 CZ TYR A 44 -3.774 4.687 2.719 1.00 0.00 C ATOM 608 OH TYR A 44 -3.014 5.571 3.424 1.00 0.00 O ATOM 0 H TYR A 44 -6.838 0.667 2.819 1.00 0.00 H new ATOM 0 HA TYR A 44 -8.100 2.803 1.433 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.895 0.789 0.929 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.373 1.955 -0.289 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.639 4.494 0.882 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.814 1.396 1.838 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -5.230 6.146 2.086 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.364 3.076 2.959 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.241 5.106 3.806 1.00 0.00 H new ATOM 618 N ALA A 45 -8.588 -0.250 0.232 1.00 0.00 N ATOM 619 CA ALA A 45 -9.476 -1.048 -0.609 1.00 0.00 C ATOM 620 C ALA A 45 -10.946 -0.843 -0.231 1.00 0.00 C ATOM 621 O ALA A 45 -11.809 -0.795 -1.104 1.00 0.00 O ATOM 622 CB ALA A 45 -9.082 -2.525 -0.529 1.00 0.00 C ATOM 0 H ALA A 45 -7.845 -0.792 0.672 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.365 -0.713 -1.640 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -9.749 -3.114 -1.159 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.055 -2.647 -0.874 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -9.161 -2.867 0.503 1.00 0.00 H new ATOM 628 N ASP A 46 -11.229 -0.678 1.065 1.00 0.00 N ATOM 629 CA ASP A 46 -12.573 -0.456 1.584 1.00 0.00 C ATOM 630 C ASP A 46 -13.008 1.012 1.440 1.00 0.00 C ATOM 631 O ASP A 46 -14.010 1.416 2.025 1.00 0.00 O ATOM 632 CB ASP A 46 -12.599 -0.922 3.048 1.00 0.00 C ATOM 633 CG ASP A 46 -13.997 -0.925 3.660 1.00 0.00 C ATOM 634 OD1 ASP A 46 -14.902 -1.500 3.017 1.00 0.00 O ATOM 635 OD2 ASP A 46 -14.124 -0.383 4.779 1.00 0.00 O ATOM 0 H ASP A 46 -10.514 -0.696 1.792 1.00 0.00 H new ATOM 0 HA ASP A 46 -13.292 -1.033 1.002 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.182 -1.927 3.109 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.953 -0.273 3.639 1.00 0.00 H new ATOM 640 N GLY A 47 -12.250 1.828 0.696 1.00 0.00 N ATOM 641 CA GLY A 47 -12.519 3.238 0.448 1.00 0.00 C ATOM 642 C GLY A 47 -12.857 3.994 1.728 1.00 0.00 C ATOM 643 O GLY A 47 -13.731 4.857 1.714 1.00 0.00 O ATOM 0 H GLY A 47 -11.400 1.504 0.235 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.648 3.695 -0.023 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.347 3.330 -0.255 1.00 0.00 H new ATOM 647 N SER A 48 -12.166 3.663 2.825 1.00 0.00 N ATOM 648 CA SER A 48 -12.436 4.242 4.133 1.00 0.00 C ATOM 649 C SER A 48 -11.177 4.848 4.744 1.00 0.00 C ATOM 650 O SER A 48 -11.195 5.988 5.203 1.00 0.00 O ATOM 651 CB SER A 48 -13.045 3.166 5.037 1.00 0.00 C ATOM 652 OG SER A 48 -14.278 2.729 4.497 1.00 0.00 O ATOM 0 H SER A 48 -11.404 2.985 2.824 1.00 0.00 H new ATOM 0 HA SER A 48 -13.149 5.059 4.026 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.359 2.324 5.129 1.00 0.00 H new ATOM 0 HB3 SER A 48 -13.197 3.564 6.040 1.00 0.00 H new ATOM 0 HG SER A 48 -14.120 2.283 3.639 1.00 0.00 H new ATOM 658 N TYR A 49 -10.068 4.104 4.753 1.00 0.00 N ATOM 659 CA TYR A 49 -8.827 4.570 5.360 1.00 0.00 C ATOM 660 C TYR A 49 -8.090 5.555 4.445 1.00 0.00 C ATOM 661 O TYR A 49 -6.931 5.340 4.113 1.00 0.00 O ATOM 662 CB TYR A 49 -7.969 3.353 5.737 1.00 0.00 C ATOM 663 CG TYR A 49 -6.707 3.665 6.495 1.00 0.00 C ATOM 664 CD1 TYR A 49 -6.786 4.302 7.740 1.00 0.00 C ATOM 665 CD2 TYR A 49 -5.460 3.480 5.871 1.00 0.00 C ATOM 666 CE1 TYR A 49 -5.622 4.796 8.339 1.00 0.00 C ATOM 667 CE2 TYR A 49 -4.299 3.992 6.461 1.00 0.00 C ATOM 668 CZ TYR A 49 -4.376 4.646 7.706 1.00 0.00 C ATOM 669 OH TYR A 49 -3.260 5.132 8.318 1.00 0.00 O ATOM 0 H TYR A 49 -10.008 3.172 4.343 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.050 5.127 6.270 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.575 2.674 6.337 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.703 2.820 4.824 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.740 4.411 8.235 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.399 2.943 4.936 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.681 5.296 9.294 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.347 3.886 5.963 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.476 4.952 7.759 1.00 0.00 H new ATOM 679 N GLY A 50 -8.740 6.647 4.040 1.00 0.00 N ATOM 680 CA GLY A 50 -8.132 7.651 3.178 1.00 0.00 C ATOM 681 C GLY A 50 -9.120 8.254 2.188 1.00 0.00 C ATOM 682 O GLY A 50 -10.294 7.892 2.161 1.00 0.00 O ATOM 0 H GLY A 50 -9.703 6.857 4.303 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.711 8.446 3.794 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.305 7.200 2.630 1.00 0.00 H new ATOM 686 N GLY A 51 -8.620 9.183 1.370 1.00 0.00 N ATOM 687 CA GLY A 51 -9.361 9.878 0.336 1.00 0.00 C ATOM 688 C GLY A 51 -8.443 10.931 -0.283 1.00 0.00 C ATOM 689 O GLY A 51 -7.274 11.025 0.099 1.00 0.00 O ATOM 0 H GLY A 51 -7.645 9.478 1.419 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.701 9.176 -0.425 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.250 10.348 0.756 1.00 0.00 H new ATOM 693 N GLU A 52 -8.971 11.714 -1.229 1.00 0.00 N ATOM 694 CA GLU A 52 -8.289 12.798 -1.927 1.00 0.00 C ATOM 695 C GLU A 52 -6.874 12.408 -2.378 1.00 0.00 C ATOM 696 O GLU A 52 -6.715 11.714 -3.378 1.00 0.00 O ATOM 697 CB GLU A 52 -8.328 14.076 -1.071 1.00 0.00 C ATOM 698 CG GLU A 52 -9.768 14.550 -0.834 1.00 0.00 C ATOM 699 CD GLU A 52 -9.788 15.846 -0.030 1.00 0.00 C ATOM 700 OE1 GLU A 52 -9.699 15.743 1.212 1.00 0.00 O ATOM 701 OE2 GLU A 52 -9.876 16.914 -0.675 1.00 0.00 O ATOM 0 H GLU A 52 -9.935 11.599 -1.541 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.825 13.006 -2.853 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -7.843 13.888 -0.113 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.761 14.864 -1.566 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.267 14.703 -1.791 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -10.326 13.779 -0.303 1.00 0.00 H new ATOM 708 N ARG A 53 -5.845 12.826 -1.636 1.00 0.00 N ATOM 709 CA ARG A 53 -4.449 12.541 -1.955 1.00 0.00 C ATOM 710 C ARG A 53 -4.178 11.040 -2.079 1.00 0.00 C ATOM 711 O ARG A 53 -3.284 10.624 -2.812 1.00 0.00 O ATOM 712 CB ARG A 53 -3.544 13.193 -0.899 1.00 0.00 C ATOM 713 CG ARG A 53 -3.596 12.516 0.482 1.00 0.00 C ATOM 714 CD ARG A 53 -3.179 13.533 1.553 1.00 0.00 C ATOM 715 NE ARG A 53 -2.756 12.878 2.798 1.00 0.00 N ATOM 716 CZ ARG A 53 -1.519 12.409 3.017 1.00 0.00 C ATOM 717 NH1 ARG A 53 -0.615 12.433 2.034 1.00 0.00 N ATOM 718 NH2 ARG A 53 -1.194 11.914 4.214 1.00 0.00 N ATOM 0 H ARG A 53 -5.963 13.379 -0.787 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.224 12.969 -2.932 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.515 13.179 -1.260 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.829 14.239 -0.789 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.602 12.148 0.683 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.931 11.653 0.503 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.364 14.148 1.171 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.013 14.203 1.761 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.446 12.773 3.542 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.866 12.808 1.119 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.327 12.077 2.198 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.887 11.893 4.962 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.253 11.557 4.380 1.00 0.00 H new ATOM 732 N LYS A 54 -4.954 10.235 -1.352 1.00 0.00 N ATOM 733 CA LYS A 54 -4.833 8.789 -1.308 1.00 0.00 C ATOM 734 C LYS A 54 -5.710 8.113 -2.366 1.00 0.00 C ATOM 735 O LYS A 54 -5.747 6.887 -2.426 1.00 0.00 O ATOM 736 CB LYS A 54 -5.192 8.325 0.109 1.00 0.00 C ATOM 737 CG LYS A 54 -4.459 9.196 1.141 1.00 0.00 C ATOM 738 CD LYS A 54 -4.332 8.551 2.519 1.00 0.00 C ATOM 739 CE LYS A 54 -3.677 9.496 3.526 1.00 0.00 C ATOM 740 NZ LYS A 54 -3.513 8.832 4.832 1.00 0.00 N ATOM 0 H LYS A 54 -5.706 10.589 -0.761 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.809 8.499 -1.541 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.269 8.392 0.262 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.916 7.279 0.240 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.462 9.425 0.765 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.987 10.144 1.242 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.320 8.263 2.879 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.743 7.637 2.440 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.705 9.818 3.151 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.287 10.392 3.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.067 9.490 5.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.445 8.546 5.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.912 7.991 4.721 1.00 0.00 H new ATOM 754 N ALA A 55 -6.418 8.882 -3.201 1.00 0.00 N ATOM 755 CA ALA A 55 -7.311 8.340 -4.220 1.00 0.00 C ATOM 756 C ALA A 55 -6.600 7.381 -5.178 1.00 0.00 C ATOM 757 O ALA A 55 -7.144 6.330 -5.510 1.00 0.00 O ATOM 758 CB ALA A 55 -7.979 9.478 -4.996 1.00 0.00 C ATOM 0 H ALA A 55 -6.384 9.901 -3.185 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.074 7.758 -3.702 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.643 9.061 -5.753 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.556 10.097 -4.309 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.215 10.087 -5.479 1.00 0.00 H new ATOM 764 N MET A 56 -5.393 7.734 -5.624 1.00 0.00 N ATOM 765 CA MET A 56 -4.614 6.918 -6.544 1.00 0.00 C ATOM 766 C MET A 56 -4.382 5.534 -5.930 1.00 0.00 C ATOM 767 O MET A 56 -4.764 4.507 -6.488 1.00 0.00 O ATOM 768 CB MET A 56 -3.283 7.619 -6.861 1.00 0.00 C ATOM 769 CG MET A 56 -3.451 9.020 -7.469 1.00 0.00 C ATOM 770 SD MET A 56 -3.515 10.390 -6.280 1.00 0.00 S ATOM 771 CE MET A 56 -4.273 11.665 -7.309 1.00 0.00 C ATOM 0 H MET A 56 -4.929 8.601 -5.352 1.00 0.00 H new ATOM 0 HA MET A 56 -5.159 6.790 -7.479 1.00 0.00 H new ATOM 0 HB2 MET A 56 -2.697 7.698 -5.945 1.00 0.00 H new ATOM 0 HB3 MET A 56 -2.712 6.999 -7.552 1.00 0.00 H new ATOM 0 HG2 MET A 56 -2.625 9.199 -8.158 1.00 0.00 H new ATOM 0 HG3 MET A 56 -4.367 9.032 -8.060 1.00 0.00 H new ATOM 0 HE1 MET A 56 -4.386 12.581 -6.729 1.00 0.00 H new ATOM 0 HE2 MET A 56 -3.639 11.859 -8.174 1.00 0.00 H new ATOM 0 HE3 MET A 56 -5.252 11.326 -7.646 1.00 0.00 H new ATOM 781 N MET A 57 -3.768 5.537 -4.747 1.00 0.00 N ATOM 782 CA MET A 57 -3.473 4.362 -3.947 1.00 0.00 C ATOM 783 C MET A 57 -4.753 3.553 -3.728 1.00 0.00 C ATOM 784 O MET A 57 -4.771 2.346 -3.969 1.00 0.00 O ATOM 785 CB MET A 57 -2.845 4.860 -2.642 1.00 0.00 C ATOM 786 CG MET A 57 -2.597 3.771 -1.595 1.00 0.00 C ATOM 787 SD MET A 57 -1.550 4.324 -0.220 1.00 0.00 S ATOM 788 CE MET A 57 -2.216 5.958 0.143 1.00 0.00 C ATOM 0 H MET A 57 -3.451 6.400 -4.306 1.00 0.00 H new ATOM 0 HA MET A 57 -2.773 3.688 -4.441 1.00 0.00 H new ATOM 0 HB2 MET A 57 -1.897 5.345 -2.873 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.495 5.620 -2.209 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.554 3.431 -1.200 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.129 2.913 -2.077 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.987 6.223 1.175 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.768 6.691 -0.528 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.297 5.950 0.002 1.00 0.00 H new ATOM 798 N THR A 58 -5.823 4.229 -3.298 1.00 0.00 N ATOM 799 CA THR A 58 -7.133 3.632 -3.079 1.00 0.00 C ATOM 800 C THR A 58 -7.560 2.865 -4.329 1.00 0.00 C ATOM 801 O THR A 58 -7.800 1.663 -4.262 1.00 0.00 O ATOM 802 CB THR A 58 -8.144 4.722 -2.685 1.00 0.00 C ATOM 803 OG1 THR A 58 -7.751 5.303 -1.458 1.00 0.00 O ATOM 804 CG2 THR A 58 -9.573 4.197 -2.542 1.00 0.00 C ATOM 0 H THR A 58 -5.796 5.227 -3.090 1.00 0.00 H new ATOM 0 HA THR A 58 -7.090 2.919 -2.255 1.00 0.00 H new ATOM 0 HB THR A 58 -8.145 5.455 -3.492 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.941 5.838 -1.594 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.235 5.016 -2.263 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.901 3.772 -3.491 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.602 3.428 -1.770 1.00 0.00 H new ATOM 812 N ASN A 59 -7.630 3.542 -5.478 1.00 0.00 N ATOM 813 CA ASN A 59 -8.041 2.914 -6.726 1.00 0.00 C ATOM 814 C ASN A 59 -7.113 1.749 -7.072 1.00 0.00 C ATOM 815 O ASN A 59 -7.588 0.723 -7.557 1.00 0.00 O ATOM 816 CB ASN A 59 -8.070 3.947 -7.859 1.00 0.00 C ATOM 817 CG ASN A 59 -8.877 3.515 -9.089 1.00 0.00 C ATOM 818 OD1 ASN A 59 -9.324 4.369 -9.847 1.00 0.00 O ATOM 819 ND2 ASN A 59 -9.105 2.224 -9.330 1.00 0.00 N ATOM 0 H ASN A 59 -7.404 4.533 -5.565 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.048 2.517 -6.601 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.487 4.878 -7.475 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.046 4.159 -8.167 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -9.651 1.946 -10.145 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.733 1.514 -8.699 1.00 0.00 H new ATOM 826 N ALA A 60 -5.805 1.898 -6.844 1.00 0.00 N ATOM 827 CA ALA A 60 -4.858 0.833 -7.135 1.00 0.00 C ATOM 828 C ALA A 60 -5.238 -0.425 -6.352 1.00 0.00 C ATOM 829 O ALA A 60 -5.483 -1.473 -6.948 1.00 0.00 O ATOM 830 CB ALA A 60 -3.423 1.286 -6.850 1.00 0.00 C ATOM 0 H ALA A 60 -5.385 2.745 -6.460 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.902 0.590 -8.197 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.733 0.473 -7.075 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.183 2.148 -7.473 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.330 1.560 -5.799 1.00 0.00 H new ATOM 836 N VAL A 61 -5.335 -0.331 -5.022 1.00 0.00 N ATOM 837 CA VAL A 61 -5.712 -1.502 -4.236 1.00 0.00 C ATOM 838 C VAL A 61 -7.151 -1.940 -4.531 1.00 0.00 C ATOM 839 O VAL A 61 -7.460 -3.122 -4.408 1.00 0.00 O ATOM 840 CB VAL A 61 -5.460 -1.312 -2.735 1.00 0.00 C ATOM 841 CG1 VAL A 61 -3.969 -1.119 -2.445 1.00 0.00 C ATOM 842 CG2 VAL A 61 -6.254 -0.158 -2.132 1.00 0.00 C ATOM 0 H VAL A 61 -5.163 0.518 -4.483 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.057 -2.314 -4.550 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.809 -2.229 -2.259 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.821 -0.987 -1.373 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.416 -1.996 -2.782 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.607 -0.237 -2.973 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.030 -0.079 -1.068 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.981 0.772 -2.631 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.320 -0.341 -2.265 1.00 0.00 H new ATOM 852 N LYS A 62 -8.035 -1.025 -4.943 1.00 0.00 N ATOM 853 CA LYS A 62 -9.413 -1.363 -5.283 1.00 0.00 C ATOM 854 C LYS A 62 -9.463 -2.424 -6.388 1.00 0.00 C ATOM 855 O LYS A 62 -10.412 -3.201 -6.449 1.00 0.00 O ATOM 856 CB LYS A 62 -10.181 -0.098 -5.698 1.00 0.00 C ATOM 857 CG LYS A 62 -11.705 -0.258 -5.676 1.00 0.00 C ATOM 858 CD LYS A 62 -12.235 -0.345 -4.237 1.00 0.00 C ATOM 859 CE LYS A 62 -13.755 -0.170 -4.184 1.00 0.00 C ATOM 860 NZ LYS A 62 -14.455 -1.254 -4.895 1.00 0.00 N ATOM 0 H LYS A 62 -7.813 -0.035 -5.048 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.893 -1.785 -4.400 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.902 0.719 -5.032 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.871 0.190 -6.703 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -12.169 0.586 -6.187 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.987 -1.157 -6.225 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.964 -1.309 -3.807 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.758 0.422 -3.626 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -14.082 -0.146 -3.145 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -14.026 0.789 -4.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -15.482 -1.129 -4.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -14.201 -1.229 -5.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -14.177 -2.171 -4.491 1.00 0.00 H new ATOM 874 N LYS A 63 -8.455 -2.462 -7.269 1.00 0.00 N ATOM 875 CA LYS A 63 -8.376 -3.438 -8.340 1.00 0.00 C ATOM 876 C LYS A 63 -7.956 -4.829 -7.826 1.00 0.00 C ATOM 877 O LYS A 63 -8.014 -5.801 -8.576 1.00 0.00 O ATOM 878 CB LYS A 63 -7.409 -2.899 -9.406 1.00 0.00 C ATOM 879 CG LYS A 63 -8.142 -2.422 -10.665 1.00 0.00 C ATOM 880 CD LYS A 63 -9.010 -1.191 -10.365 1.00 0.00 C ATOM 881 CE LYS A 63 -9.664 -0.641 -11.639 1.00 0.00 C ATOM 882 NZ LYS A 63 -10.576 -1.619 -12.257 1.00 0.00 N ATOM 0 H LYS A 63 -7.672 -1.809 -7.250 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.363 -3.579 -8.780 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.834 -2.073 -8.988 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.697 -3.679 -9.676 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.417 -2.179 -11.442 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.767 -3.226 -11.053 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.783 -1.456 -9.643 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.397 -0.416 -9.905 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.215 0.268 -11.400 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.889 -0.365 -12.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.086 -1.169 -13.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.028 -2.427 -12.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.260 -1.953 -11.548 1.00 0.00 H new ATOM 896 N ALA A 64 -7.504 -4.926 -6.572 1.00 0.00 N ATOM 897 CA ALA A 64 -7.084 -6.157 -5.921 1.00 0.00 C ATOM 898 C ALA A 64 -8.286 -6.827 -5.257 1.00 0.00 C ATOM 899 O ALA A 64 -9.436 -6.608 -5.634 1.00 0.00 O ATOM 900 CB ALA A 64 -5.992 -5.787 -4.914 1.00 0.00 C ATOM 0 H ALA A 64 -7.420 -4.112 -5.963 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.683 -6.876 -6.635 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.649 -6.686 -4.403 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.155 -5.326 -5.438 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.394 -5.085 -4.183 1.00 0.00 H new ATOM 906 N SER A 65 -8.019 -7.688 -4.278 1.00 0.00 N ATOM 907 CA SER A 65 -9.071 -8.337 -3.497 1.00 0.00 C ATOM 908 C SER A 65 -8.671 -8.519 -2.035 1.00 0.00 C ATOM 909 O SER A 65 -8.987 -7.668 -1.208 1.00 0.00 O ATOM 910 CB SER A 65 -9.560 -9.619 -4.185 1.00 0.00 C ATOM 911 OG SER A 65 -10.370 -9.263 -5.290 1.00 0.00 O ATOM 0 H SER A 65 -7.073 -7.955 -4.004 1.00 0.00 H new ATOM 0 HA SER A 65 -9.934 -7.672 -3.465 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.711 -10.217 -4.516 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.127 -10.231 -3.483 1.00 0.00 H new ATOM 0 HG SER A 65 -10.210 -8.325 -5.524 1.00 0.00 H new ATOM 917 N ASP A 66 -7.992 -9.616 -1.706 1.00 0.00 N ATOM 918 CA ASP A 66 -7.590 -9.917 -0.334 1.00 0.00 C ATOM 919 C ASP A 66 -6.227 -10.595 -0.320 1.00 0.00 C ATOM 920 O ASP A 66 -5.307 -10.123 0.343 1.00 0.00 O ATOM 921 CB ASP A 66 -8.653 -10.782 0.353 1.00 0.00 C ATOM 922 CG ASP A 66 -8.251 -11.098 1.790 1.00 0.00 C ATOM 923 OD1 ASP A 66 -8.122 -10.128 2.568 1.00 0.00 O ATOM 924 OD2 ASP A 66 -8.073 -12.300 2.082 1.00 0.00 O ATOM 0 H ASP A 66 -7.705 -10.322 -2.384 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.505 -8.985 0.225 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.611 -10.263 0.345 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.788 -11.709 -0.203 1.00 0.00 H new ATOM 929 N GLU A 67 -6.097 -11.690 -1.073 1.00 0.00 N ATOM 930 CA GLU A 67 -4.883 -12.450 -1.260 1.00 0.00 C ATOM 931 C GLU A 67 -3.723 -11.491 -1.533 1.00 0.00 C ATOM 932 O GLU A 67 -2.681 -11.499 -0.878 1.00 0.00 O ATOM 933 CB GLU A 67 -5.107 -13.402 -2.447 1.00 0.00 C ATOM 934 CG GLU A 67 -6.488 -14.078 -2.546 1.00 0.00 C ATOM 935 CD GLU A 67 -7.478 -13.278 -3.395 1.00 0.00 C ATOM 936 OE1 GLU A 67 -8.166 -12.420 -2.797 1.00 0.00 O ATOM 937 OE2 GLU A 67 -7.505 -13.515 -4.621 1.00 0.00 O ATOM 0 H GLU A 67 -6.884 -12.081 -1.591 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.636 -13.029 -0.370 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.936 -12.843 -3.367 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.349 -14.184 -2.403 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.371 -15.074 -2.974 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.897 -14.208 -1.544 1.00 0.00 H new ATOM 944 N GLU A 68 -3.981 -10.633 -2.514 1.00 0.00 N ATOM 945 CA GLU A 68 -3.164 -9.568 -2.996 1.00 0.00 C ATOM 946 C GLU A 68 -2.757 -8.650 -1.848 1.00 0.00 C ATOM 947 O GLU A 68 -1.576 -8.399 -1.650 1.00 0.00 O ATOM 948 CB GLU A 68 -4.059 -8.821 -3.982 1.00 0.00 C ATOM 949 CG GLU A 68 -4.516 -9.668 -5.183 1.00 0.00 C ATOM 950 CD GLU A 68 -5.944 -10.192 -5.052 1.00 0.00 C ATOM 951 OE1 GLU A 68 -6.363 -10.420 -3.896 1.00 0.00 O ATOM 952 OE2 GLU A 68 -6.600 -10.326 -6.105 1.00 0.00 O ATOM 0 H GLU A 68 -4.859 -10.687 -3.031 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.242 -9.924 -3.456 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.939 -8.456 -3.453 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.524 -7.946 -4.351 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.439 -9.068 -6.090 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.837 -10.513 -5.301 1.00 0.00 H new ATOM 959 N LEU A 69 -3.741 -8.146 -1.101 1.00 0.00 N ATOM 960 CA LEU A 69 -3.519 -7.225 0.003 1.00 0.00 C ATOM 961 C LEU A 69 -2.588 -7.850 1.041 1.00 0.00 C ATOM 962 O LEU A 69 -1.612 -7.227 1.454 1.00 0.00 O ATOM 963 CB LEU A 69 -4.848 -6.797 0.632 1.00 0.00 C ATOM 964 CG LEU A 69 -5.861 -6.249 -0.387 1.00 0.00 C ATOM 965 CD1 LEU A 69 -7.014 -5.616 0.387 1.00 0.00 C ATOM 966 CD2 LEU A 69 -5.277 -5.194 -1.333 1.00 0.00 C ATOM 0 H LEU A 69 -4.724 -8.372 -1.252 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.036 -6.329 -0.386 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.289 -7.651 1.147 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.655 -6.034 1.386 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.180 -7.087 -1.007 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.748 -5.219 -0.314 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.486 -6.369 1.018 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.633 -4.807 1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.051 -4.855 -2.022 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.912 -4.347 -0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.453 -5.629 -1.898 1.00 0.00 H new ATOM 978 N LYS A 70 -2.880 -9.089 1.447 1.00 0.00 N ATOM 979 CA LYS A 70 -2.072 -9.811 2.420 1.00 0.00 C ATOM 980 C LYS A 70 -0.643 -9.959 1.899 1.00 0.00 C ATOM 981 O LYS A 70 0.315 -9.689 2.618 1.00 0.00 O ATOM 982 CB LYS A 70 -2.701 -11.178 2.721 1.00 0.00 C ATOM 983 CG LYS A 70 -4.038 -11.012 3.456 1.00 0.00 C ATOM 984 CD LYS A 70 -4.705 -12.346 3.812 1.00 0.00 C ATOM 985 CE LYS A 70 -4.989 -13.190 2.565 1.00 0.00 C ATOM 986 NZ LYS A 70 -5.925 -14.289 2.856 1.00 0.00 N ATOM 0 H LYS A 70 -3.685 -9.615 1.107 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.038 -9.247 3.352 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.857 -11.724 1.791 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.018 -11.772 3.328 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.874 -10.441 4.370 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.717 -10.429 2.833 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.061 -12.905 4.490 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.638 -12.156 4.343 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.404 -12.555 1.782 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.054 -13.599 2.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.735 -15.086 2.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.801 -14.599 3.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.902 -13.959 2.718 1.00 0.00 H new ATOM 1000 N ALA A 71 -0.491 -10.376 0.642 1.00 0.00 N ATOM 1001 CA ALA A 71 0.822 -10.540 0.039 1.00 0.00 C ATOM 1002 C ALA A 71 1.556 -9.206 -0.120 1.00 0.00 C ATOM 1003 O ALA A 71 2.778 -9.140 0.012 1.00 0.00 O ATOM 1004 CB ALA A 71 0.662 -11.232 -1.312 1.00 0.00 C ATOM 0 H ALA A 71 -1.268 -10.606 0.023 1.00 0.00 H new ATOM 0 HA ALA A 71 1.432 -11.153 0.702 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.641 -11.360 -1.773 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.198 -12.208 -1.168 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.032 -10.623 -1.960 1.00 0.00 H new ATOM 1010 N LEU A 72 0.826 -8.131 -0.414 1.00 0.00 N ATOM 1011 CA LEU A 72 1.412 -6.820 -0.611 1.00 0.00 C ATOM 1012 C LEU A 72 1.928 -6.328 0.740 1.00 0.00 C ATOM 1013 O LEU A 72 3.046 -5.824 0.840 1.00 0.00 O ATOM 1014 CB LEU A 72 0.358 -5.935 -1.286 1.00 0.00 C ATOM 1015 CG LEU A 72 0.857 -4.631 -1.917 1.00 0.00 C ATOM 1016 CD1 LEU A 72 2.071 -4.832 -2.824 1.00 0.00 C ATOM 1017 CD2 LEU A 72 -0.293 -4.076 -2.766 1.00 0.00 C ATOM 0 H LEU A 72 -0.188 -8.152 -0.521 1.00 0.00 H new ATOM 0 HA LEU A 72 2.276 -6.814 -1.276 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.133 -6.522 -2.062 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.402 -5.686 -0.545 1.00 0.00 H new ATOM 0 HG LEU A 72 1.163 -3.956 -1.118 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.377 -3.872 -3.241 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.892 -5.254 -2.245 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.811 -5.513 -3.634 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.019 -3.143 -3.236 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.559 -4.800 -3.536 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.158 -3.890 -2.130 1.00 0.00 H new ATOM 1029 N ALA A 73 1.122 -6.518 1.790 1.00 0.00 N ATOM 1030 CA ALA A 73 1.541 -6.249 3.152 1.00 0.00 C ATOM 1031 C ALA A 73 2.791 -7.079 3.459 1.00 0.00 C ATOM 1032 O ALA A 73 3.792 -6.540 3.927 1.00 0.00 O ATOM 1033 CB ALA A 73 0.393 -6.571 4.111 1.00 0.00 C ATOM 0 H ALA A 73 0.165 -6.862 1.710 1.00 0.00 H new ATOM 0 HA ALA A 73 1.791 -5.196 3.278 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.707 -6.369 5.135 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.470 -5.951 3.867 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.123 -7.623 4.015 1.00 0.00 H new ATOM 1039 N ASP A 74 2.749 -8.387 3.179 1.00 0.00 N ATOM 1040 CA ASP A 74 3.883 -9.276 3.376 1.00 0.00 C ATOM 1041 C ASP A 74 5.153 -8.714 2.727 1.00 0.00 C ATOM 1042 O ASP A 74 6.165 -8.633 3.414 1.00 0.00 O ATOM 1043 CB ASP A 74 3.564 -10.690 2.882 1.00 0.00 C ATOM 1044 CG ASP A 74 4.699 -11.653 3.207 1.00 0.00 C ATOM 1045 OD1 ASP A 74 4.942 -11.856 4.416 1.00 0.00 O ATOM 1046 OD2 ASP A 74 5.301 -12.171 2.241 1.00 0.00 O ATOM 0 H ASP A 74 1.921 -8.853 2.808 1.00 0.00 H new ATOM 0 HA ASP A 74 4.077 -9.342 4.447 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.641 -11.041 3.345 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.394 -10.673 1.805 1.00 0.00 H new ATOM 1051 N TYR A 75 5.110 -8.304 1.448 1.00 0.00 N ATOM 1052 CA TYR A 75 6.269 -7.707 0.770 1.00 0.00 C ATOM 1053 C TYR A 75 6.901 -6.623 1.653 1.00 0.00 C ATOM 1054 O TYR A 75 8.055 -6.717 2.070 1.00 0.00 O ATOM 1055 CB TYR A 75 5.837 -7.123 -0.592 1.00 0.00 C ATOM 1056 CG TYR A 75 6.937 -6.555 -1.487 1.00 0.00 C ATOM 1057 CD1 TYR A 75 7.505 -5.296 -1.204 1.00 0.00 C ATOM 1058 CD2 TYR A 75 7.261 -7.188 -2.704 1.00 0.00 C ATOM 1059 CE1 TYR A 75 8.406 -4.694 -2.099 1.00 0.00 C ATOM 1060 CE2 TYR A 75 8.154 -6.578 -3.607 1.00 0.00 C ATOM 1061 CZ TYR A 75 8.735 -5.334 -3.303 1.00 0.00 C ATOM 1062 OH TYR A 75 9.573 -4.733 -4.198 1.00 0.00 O ATOM 0 H TYR A 75 4.279 -8.377 0.861 1.00 0.00 H new ATOM 0 HA TYR A 75 7.017 -8.480 0.594 1.00 0.00 H new ATOM 0 HB2 TYR A 75 5.320 -7.906 -1.147 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.111 -6.332 -0.406 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.244 -4.788 -0.288 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.823 -8.145 -2.945 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.846 -3.737 -1.859 1.00 0.00 H new ATOM 0 HE2 TYR A 75 8.394 -7.069 -4.539 1.00 0.00 H new ATOM 0 HH TYR A 75 9.842 -3.855 -3.856 1.00 0.00 H new ATOM 1072 N MET A 76 6.119 -5.587 1.954 1.00 0.00 N ATOM 1073 CA MET A 76 6.541 -4.444 2.734 1.00 0.00 C ATOM 1074 C MET A 76 6.880 -4.792 4.183 1.00 0.00 C ATOM 1075 O MET A 76 7.599 -4.033 4.825 1.00 0.00 O ATOM 1076 CB MET A 76 5.432 -3.404 2.594 1.00 0.00 C ATOM 1077 CG MET A 76 5.736 -2.500 1.392 1.00 0.00 C ATOM 1078 SD MET A 76 4.407 -1.423 0.808 1.00 0.00 S ATOM 1079 CE MET A 76 3.252 -2.648 0.173 1.00 0.00 C ATOM 0 H MET A 76 5.148 -5.526 1.649 1.00 0.00 H new ATOM 0 HA MET A 76 7.483 -4.046 2.358 1.00 0.00 H new ATOM 0 HB2 MET A 76 4.470 -3.897 2.459 1.00 0.00 H new ATOM 0 HB3 MET A 76 5.360 -2.808 3.504 1.00 0.00 H new ATOM 0 HG2 MET A 76 6.590 -1.873 1.649 1.00 0.00 H new ATOM 0 HG3 MET A 76 6.045 -3.135 0.562 1.00 0.00 H new ATOM 0 HE1 MET A 76 2.364 -2.146 -0.210 1.00 0.00 H new ATOM 0 HE2 MET A 76 3.725 -3.212 -0.631 1.00 0.00 H new ATOM 0 HE3 MET A 76 2.967 -3.329 0.975 1.00 0.00 H new ATOM 1089 N SER A 77 6.378 -5.919 4.690 1.00 0.00 N ATOM 1090 CA SER A 77 6.701 -6.426 6.018 1.00 0.00 C ATOM 1091 C SER A 77 7.911 -7.366 6.002 1.00 0.00 C ATOM 1092 O SER A 77 8.216 -7.940 7.048 1.00 0.00 O ATOM 1093 CB SER A 77 5.502 -7.172 6.603 1.00 0.00 C ATOM 1094 OG SER A 77 5.697 -7.376 7.994 1.00 0.00 O ATOM 0 H SER A 77 5.725 -6.513 4.178 1.00 0.00 H new ATOM 0 HA SER A 77 6.949 -5.562 6.635 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.589 -6.601 6.434 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.377 -8.130 6.099 1.00 0.00 H new ATOM 0 HG SER A 77 6.630 -7.626 8.160 1.00 0.00 H new ATOM 1100 N LYS A 78 8.556 -7.582 4.850 1.00 0.00 N ATOM 1101 CA LYS A 78 9.761 -8.399 4.731 1.00 0.00 C ATOM 1102 C LYS A 78 10.834 -7.475 4.169 1.00 0.00 C ATOM 1103 O LYS A 78 11.644 -7.851 3.323 1.00 0.00 O ATOM 1104 CB LYS A 78 9.504 -9.613 3.829 1.00 0.00 C ATOM 1105 CG LYS A 78 8.588 -10.630 4.521 1.00 0.00 C ATOM 1106 CD LYS A 78 8.218 -11.789 3.588 1.00 0.00 C ATOM 1107 CE LYS A 78 9.426 -12.633 3.168 1.00 0.00 C ATOM 1108 NZ LYS A 78 9.002 -13.813 2.395 1.00 0.00 N ATOM 0 H LYS A 78 8.247 -7.186 3.962 1.00 0.00 H new ATOM 0 HA LYS A 78 10.077 -8.809 5.690 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.049 -9.286 2.894 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.452 -10.087 3.573 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.085 -11.022 5.408 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.680 -10.131 4.859 1.00 0.00 H new ATOM 0 HD2 LYS A 78 7.490 -12.430 4.086 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.734 -11.390 2.697 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.107 -12.027 2.570 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.977 -12.952 4.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 9.838 -14.368 2.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.371 -14.400 2.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.497 -13.505 1.540 1.00 0.00 H new ATOM 1122 N LEU A 79 10.793 -6.241 4.656 1.00 0.00 N ATOM 1123 CA LEU A 79 11.573 -5.111 4.287 1.00 0.00 C ATOM 1124 C LEU A 79 11.615 -4.295 5.574 1.00 0.00 C ATOM 1125 O LEU A 79 12.664 -3.672 5.835 1.00 0.00 O ATOM 1126 CB LEU A 79 10.757 -4.404 3.199 1.00 0.00 C ATOM 1127 CG LEU A 79 11.110 -4.808 1.758 1.00 0.00 C ATOM 1128 CD1 LEU A 79 10.309 -3.927 0.797 1.00 0.00 C ATOM 1129 CD2 LEU A 79 12.599 -4.668 1.418 1.00 0.00 C ATOM 1130 OXT LEU A 79 10.583 -4.347 6.284 1.00 0.00 O ATOM 0 H LEU A 79 10.135 -6.004 5.398 1.00 0.00 H new ATOM 0 HA LEU A 79 12.578 -5.303 3.911 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.700 -4.607 3.369 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.896 -3.328 3.303 1.00 0.00 H new ATOM 0 HG LEU A 79 10.862 -5.865 1.659 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.547 -4.200 -0.231 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.243 -4.072 0.973 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.565 -2.881 0.963 1.00 0.00 H new ATOM 0 HD21 LEU A 79 12.766 -4.972 0.385 1.00 0.00 H new ATOM 0 HD22 LEU A 79 12.905 -3.630 1.545 1.00 0.00 H new ATOM 0 HD23 LEU A 79 13.185 -5.303 2.082 1.00 0.00 H new