USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 498 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 121 MET CE :methyl -105:sc= -0.633 (180deg=0) USER MOD Set 1.2: A 125 ASN : amide:sc= -0.851 K(o=-1.5,f=-7.4!) USER MOD Set 2.1: A 114 THR OG1 : rot 180:sc= 0.00651 USER MOD Set 2.2: A 126 GLN : amide:sc= -0.9 X(o=-0.89,f=-0.87) USER MOD Single : A 81 HIS : no HE2:sc= -7! C(o=-7!,f=-8.6!) USER MOD Single : A 85 SER OG : rot -60:sc= -3.38 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.122 USER MOD Single : A 92 TYR OH : rot -176:sc= 0.615 USER MOD Single : A 94 THR OG1 : rot 115:sc= 0.571 USER MOD Single : A 96 SER OG : rot 180:sc= -1.12 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -0.064 X(o=-0.064,f=-0.25) USER MOD Single : A 116 CYS SG : rot 140:sc= -2.31! USER MOD Single : A 122 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.411) USER MOD Single : A 123 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 124 MET CE :methyl 154:sc= 0 (180deg=-0.00955) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot 165:sc= -1.48 USER MOD Single : A 136 LYS NZ :NH3+ -108:sc= -1.6 (180deg=-4.34!) USER MOD Single : A 142 SER OG : rot -63:sc= 0.452 USER MOD Single : A 144 GLN : amide:sc= -0.0964 X(o=-0.096,f=-0.075) USER MOD ----------------------------------------------------------------- ATOM 130 N HIS A 81 -5.765 7.584 2.543 1.00 1.00 N ATOM 131 CA HIS A 81 -5.725 6.652 3.657 1.00 1.00 C ATOM 132 C HIS A 81 -4.288 6.181 3.883 1.00 1.00 C ATOM 133 O HIS A 81 -3.439 6.325 3.004 1.00 1.00 O ATOM 134 CB HIS A 81 -6.700 5.494 3.431 1.00 1.00 C ATOM 135 CG HIS A 81 -6.107 4.131 3.703 1.00 1.00 C ATOM 136 ND1 HIS A 81 -5.933 3.630 4.981 1.00 1.00 N ATOM 137 CD2 HIS A 81 -5.652 3.171 2.848 1.00 1.00 C ATOM 138 CE1 HIS A 81 -5.396 2.423 4.888 1.00 1.00 C ATOM 139 NE2 HIS A 81 -5.222 2.140 3.565 1.00 1.00 N ATOM 0 HA HIS A 81 -6.052 7.155 4.567 1.00 1.00 H new ATOM 0 HB2 HIS A 81 -7.571 5.635 4.072 1.00 1.00 H new ATOM 0 HB3 HIS A 81 -7.054 5.526 2.401 1.00 1.00 H new ATOM 0 HD1 HIS A 81 -6.177 4.109 5.848 1.00 1.00 H new ATOM 0 HD2 HIS A 81 -5.643 3.238 1.770 1.00 1.00 H new ATOM 0 HE1 HIS A 81 -5.141 1.776 5.714 1.00 1.00 H new ATOM 146 N ILE A 82 -4.057 5.630 5.065 1.00 1.00 N ATOM 147 CA ILE A 82 -2.736 5.138 5.416 1.00 1.00 C ATOM 148 C ILE A 82 -2.782 3.614 5.545 1.00 1.00 C ATOM 149 O ILE A 82 -3.466 3.080 6.416 1.00 1.00 O ATOM 150 CB ILE A 82 -2.218 5.844 6.670 1.00 1.00 C ATOM 151 CG1 ILE A 82 -2.157 7.359 6.461 1.00 1.00 C ATOM 152 CG2 ILE A 82 -0.865 5.273 7.103 1.00 1.00 C ATOM 153 CD1 ILE A 82 -1.167 7.721 5.352 1.00 1.00 C ATOM 0 H ILE A 82 -4.763 5.513 5.792 1.00 1.00 H new ATOM 0 HA ILE A 82 -2.021 5.371 4.627 1.00 1.00 H new ATOM 0 HB ILE A 82 -2.922 5.657 7.481 1.00 1.00 H new ATOM 0 HG12 ILE A 82 -3.148 7.734 6.205 1.00 1.00 H new ATOM 0 HG13 ILE A 82 -1.861 7.846 7.390 1.00 1.00 H new ATOM 0 HG21 ILE A 82 -0.520 5.793 7.997 1.00 1.00 H new ATOM 0 HG22 ILE A 82 -0.971 4.210 7.320 1.00 1.00 H new ATOM 0 HG23 ILE A 82 -0.139 5.409 6.301 1.00 1.00 H new ATOM 0 HD11 ILE A 82 -1.143 8.803 5.224 1.00 1.00 H new ATOM 0 HD12 ILE A 82 -0.172 7.366 5.622 1.00 1.00 H new ATOM 0 HD13 ILE A 82 -1.479 7.252 4.419 1.00 1.00 H new ATOM 164 N VAL A 83 -2.044 2.956 4.662 1.00 1.00 N ATOM 165 CA VAL A 83 -1.991 1.503 4.666 1.00 1.00 C ATOM 166 C VAL A 83 -1.106 1.032 5.821 1.00 1.00 C ATOM 167 O VAL A 83 0.091 1.314 5.845 1.00 1.00 O ATOM 168 CB VAL A 83 -1.518 0.994 3.303 1.00 1.00 C ATOM 169 CG1 VAL A 83 -1.561 -0.535 3.244 1.00 1.00 C ATOM 170 CG2 VAL A 83 -2.343 1.610 2.170 1.00 1.00 C ATOM 0 H VAL A 83 -1.478 3.402 3.940 1.00 1.00 H new ATOM 0 HA VAL A 83 -2.984 1.084 4.828 1.00 1.00 H new ATOM 0 HB VAL A 83 -0.482 1.306 3.170 1.00 1.00 H new ATOM 0 HG11 VAL A 83 -1.220 -0.871 2.265 1.00 1.00 H new ATOM 0 HG12 VAL A 83 -0.911 -0.947 4.016 1.00 1.00 H new ATOM 0 HG13 VAL A 83 -2.583 -0.877 3.409 1.00 1.00 H new ATOM 0 HG21 VAL A 83 -1.986 1.231 1.212 1.00 1.00 H new ATOM 0 HG22 VAL A 83 -3.392 1.343 2.297 1.00 1.00 H new ATOM 0 HG23 VAL A 83 -2.239 2.695 2.193 1.00 1.00 H new ATOM 180 N ARG A 84 -1.728 0.323 6.750 1.00 1.00 N ATOM 181 CA ARG A 84 -1.011 -0.190 7.905 1.00 1.00 C ATOM 182 C ARG A 84 -1.005 -1.720 7.889 1.00 1.00 C ATOM 183 O ARG A 84 -2.057 -2.348 7.776 1.00 1.00 O ATOM 184 CB ARG A 84 -1.647 0.297 9.210 1.00 1.00 C ATOM 185 CG ARG A 84 -1.604 1.823 9.303 1.00 1.00 C ATOM 186 CD ARG A 84 -2.453 2.325 10.473 1.00 1.00 C ATOM 187 NE ARG A 84 -3.193 3.544 10.074 1.00 1.00 N ATOM 188 CZ ARG A 84 -2.703 4.796 10.189 1.00 1.00 C ATOM 189 NH1 ARG A 84 -1.468 5.006 10.691 1.00 1.00 N ATOM 190 NH2 ARG A 84 -3.450 5.813 9.802 1.00 1.00 N ATOM 0 H ARG A 84 -2.721 0.091 6.727 1.00 1.00 H new ATOM 0 HA ARG A 84 0.012 0.182 7.852 1.00 1.00 H new ATOM 0 HB2 ARG A 84 -2.680 -0.046 9.265 1.00 1.00 H new ATOM 0 HB3 ARG A 84 -1.121 -0.138 10.060 1.00 1.00 H new ATOM 0 HG2 ARG A 84 -0.573 2.154 9.428 1.00 1.00 H new ATOM 0 HG3 ARG A 84 -1.968 2.258 8.372 1.00 1.00 H new ATOM 0 HD2 ARG A 84 -3.153 1.550 10.784 1.00 1.00 H new ATOM 0 HD3 ARG A 84 -1.815 2.541 11.330 1.00 1.00 H new ATOM 0 HE ARG A 84 -4.131 3.430 9.689 1.00 1.00 H new ATOM 0 HH11 ARG A 84 -0.897 4.215 10.987 1.00 1.00 H new ATOM 0 HH12 ARG A 84 -1.106 5.956 10.774 1.00 1.00 H new ATOM 0 HH21 ARG A 84 -4.382 5.646 9.423 1.00 1.00 H new ATOM 0 HH22 ARG A 84 -3.095 6.766 9.882 1.00 1.00 H new ATOM 199 N SER A 85 0.192 -2.277 8.005 1.00 1.00 N ATOM 200 CA SER A 85 0.348 -3.722 8.005 1.00 1.00 C ATOM 201 C SER A 85 -0.529 -4.343 9.094 1.00 1.00 C ATOM 202 O SER A 85 -0.240 -4.204 10.282 1.00 1.00 O ATOM 203 CB SER A 85 1.812 -4.117 8.212 1.00 1.00 C ATOM 204 OG SER A 85 2.386 -4.672 7.032 1.00 1.00 O ATOM 0 H SER A 85 1.063 -1.754 8.100 1.00 1.00 H new ATOM 0 HA SER A 85 0.031 -4.101 7.033 1.00 1.00 H new ATOM 0 HB2 SER A 85 2.385 -3.241 8.516 1.00 1.00 H new ATOM 0 HB3 SER A 85 1.881 -4.841 9.024 1.00 1.00 H new ATOM 0 HG SER A 85 1.888 -5.475 6.772 1.00 1.00 H new ATOM 209 N PRO A 86 -1.608 -5.032 8.639 1.00 1.00 N ATOM 210 CA PRO A 86 -2.529 -5.675 9.562 1.00 1.00 C ATOM 211 C PRO A 86 -1.918 -6.951 10.145 1.00 1.00 C ATOM 212 O PRO A 86 -2.556 -7.642 10.939 1.00 1.00 O ATOM 213 CB PRO A 86 -3.784 -5.939 8.746 1.00 1.00 C ATOM 214 CG PRO A 86 -3.359 -5.859 7.288 1.00 1.00 C ATOM 215 CD PRO A 86 -1.981 -5.218 7.240 1.00 1.00 C ATOM 0 HA PRO A 86 -2.756 -5.055 10.429 1.00 1.00 H new ATOM 0 HB2 PRO A 86 -4.201 -6.919 8.978 1.00 1.00 H new ATOM 0 HB3 PRO A 86 -4.556 -5.203 8.968 1.00 1.00 H new ATOM 0 HG2 PRO A 86 -3.333 -6.853 6.842 1.00 1.00 H new ATOM 0 HG3 PRO A 86 -4.074 -5.271 6.713 1.00 1.00 H new ATOM 0 HD2 PRO A 86 -1.266 -5.856 6.721 1.00 1.00 H new ATOM 0 HD3 PRO A 86 -2.005 -4.267 6.707 1.00 1.00 H new ATOM 220 N MET A 87 -0.689 -7.224 9.733 1.00 1.00 N ATOM 221 CA MET A 87 0.014 -8.403 10.205 1.00 1.00 C ATOM 222 C MET A 87 1.529 -8.231 10.066 1.00 1.00 C ATOM 223 O MET A 87 2.023 -7.899 8.989 1.00 1.00 O ATOM 224 CB MET A 87 -0.436 -9.624 9.401 1.00 1.00 C ATOM 225 CG MET A 87 -0.575 -9.281 7.915 1.00 1.00 C ATOM 226 SD MET A 87 -2.293 -9.334 7.435 1.00 1.00 S ATOM 227 CE MET A 87 -2.121 -9.808 5.722 1.00 1.00 C ATOM 0 H MET A 87 -0.162 -6.648 9.077 1.00 1.00 H new ATOM 0 HA MET A 87 -0.222 -8.545 11.260 1.00 1.00 H new ATOM 0 HB2 MET A 87 0.285 -10.432 9.526 1.00 1.00 H new ATOM 0 HB3 MET A 87 -1.390 -9.986 9.785 1.00 1.00 H new ATOM 0 HG2 MET A 87 -0.165 -8.289 7.722 1.00 1.00 H new ATOM 0 HG3 MET A 87 0.001 -9.986 7.315 1.00 1.00 H new ATOM 0 HE1 MET A 87 -3.108 -9.888 5.266 1.00 1.00 H new ATOM 0 HE2 MET A 87 -1.536 -9.055 5.193 1.00 1.00 H new ATOM 0 HE3 MET A 87 -1.614 -10.771 5.660 1.00 1.00 H new ATOM 235 N VAL A 88 2.223 -8.463 11.171 1.00 1.00 N ATOM 236 CA VAL A 88 3.671 -8.337 11.185 1.00 1.00 C ATOM 237 C VAL A 88 4.267 -9.245 10.108 1.00 1.00 C ATOM 238 O VAL A 88 3.692 -10.280 9.774 1.00 1.00 O ATOM 239 CB VAL A 88 4.207 -8.638 12.586 1.00 1.00 C ATOM 240 CG1 VAL A 88 5.705 -8.340 12.674 1.00 1.00 C ATOM 241 CG2 VAL A 88 3.429 -7.861 13.650 1.00 1.00 C ATOM 0 H VAL A 88 1.810 -8.737 12.062 1.00 1.00 H new ATOM 0 HA VAL A 88 3.969 -7.315 10.950 1.00 1.00 H new ATOM 0 HB VAL A 88 4.065 -9.701 12.779 1.00 1.00 H new ATOM 0 HG11 VAL A 88 6.062 -8.562 13.680 1.00 1.00 H new ATOM 0 HG12 VAL A 88 6.242 -8.958 11.954 1.00 1.00 H new ATOM 0 HG13 VAL A 88 5.880 -7.288 12.451 1.00 1.00 H new ATOM 0 HG21 VAL A 88 3.830 -8.093 14.636 1.00 1.00 H new ATOM 0 HG22 VAL A 88 3.524 -6.792 13.462 1.00 1.00 H new ATOM 0 HG23 VAL A 88 2.377 -8.144 13.611 1.00 1.00 H new ATOM 251 N GLY A 89 5.414 -8.825 9.594 1.00 1.00 N ATOM 252 CA GLY A 89 6.096 -9.587 8.562 1.00 1.00 C ATOM 253 C GLY A 89 6.985 -8.681 7.709 1.00 1.00 C ATOM 254 O GLY A 89 7.887 -8.024 8.226 1.00 1.00 O ATOM 0 H GLY A 89 5.888 -7.966 9.873 1.00 1.00 H new ATOM 0 HA2 GLY A 89 6.702 -10.368 9.022 1.00 1.00 H new ATOM 0 HA3 GLY A 89 5.362 -10.084 7.928 1.00 1.00 H new ATOM 258 N THR A 90 6.701 -8.675 6.414 1.00 1.00 N ATOM 259 CA THR A 90 7.464 -7.861 5.484 1.00 1.00 C ATOM 260 C THR A 90 6.529 -7.173 4.487 1.00 1.00 C ATOM 261 O THR A 90 5.357 -7.528 4.382 1.00 1.00 O ATOM 262 CB THR A 90 8.510 -8.756 4.819 1.00 1.00 C ATOM 263 OG1 THR A 90 9.198 -9.358 5.912 1.00 1.00 O ATOM 264 CG2 THR A 90 9.592 -7.955 4.094 1.00 1.00 C ATOM 0 H THR A 90 5.953 -9.221 5.988 1.00 1.00 H new ATOM 0 HA THR A 90 7.987 -7.056 6.000 1.00 1.00 H new ATOM 0 HB THR A 90 8.018 -9.423 4.112 1.00 1.00 H new ATOM 0 HG1 THR A 90 9.894 -9.957 5.570 1.00 1.00 H new ATOM 0 HG21 THR A 90 10.309 -8.639 3.640 1.00 1.00 H new ATOM 0 HG22 THR A 90 9.133 -7.343 3.318 1.00 1.00 H new ATOM 0 HG23 THR A 90 10.107 -7.311 4.807 1.00 1.00 H new ATOM 272 N PHE A 91 7.084 -6.200 3.778 1.00 1.00 N ATOM 273 CA PHE A 91 6.316 -5.460 2.793 1.00 1.00 C ATOM 274 C PHE A 91 7.105 -5.294 1.492 1.00 1.00 C ATOM 275 O PHE A 91 8.305 -5.023 1.521 1.00 1.00 O ATOM 276 CB PHE A 91 6.039 -4.078 3.387 1.00 1.00 C ATOM 277 CG PHE A 91 5.372 -3.104 2.414 1.00 1.00 C ATOM 278 CD1 PHE A 91 6.070 -2.619 1.351 1.00 1.00 C ATOM 279 CD2 PHE A 91 4.082 -2.722 2.611 1.00 1.00 C ATOM 280 CE1 PHE A 91 5.451 -1.715 0.448 1.00 1.00 C ATOM 281 CE2 PHE A 91 3.463 -1.817 1.708 1.00 1.00 C ATOM 282 CZ PHE A 91 4.161 -1.334 0.645 1.00 1.00 C ATOM 0 H PHE A 91 8.057 -5.908 3.867 1.00 1.00 H new ATOM 0 HA PHE A 91 5.395 -5.996 2.562 1.00 1.00 H new ATOM 0 HB2 PHE A 91 5.402 -4.192 4.264 1.00 1.00 H new ATOM 0 HB3 PHE A 91 6.979 -3.646 3.730 1.00 1.00 H new ATOM 0 HD1 PHE A 91 7.095 -2.922 1.194 1.00 1.00 H new ATOM 0 HD2 PHE A 91 3.528 -3.107 3.454 1.00 1.00 H new ATOM 0 HE1 PHE A 91 6.005 -1.330 -0.395 1.00 1.00 H new ATOM 0 HE2 PHE A 91 2.439 -1.513 1.865 1.00 1.00 H new ATOM 0 HZ PHE A 91 3.690 -0.647 -0.043 1.00 1.00 H new ATOM 291 N TYR A 92 6.401 -5.464 0.383 1.00 1.00 N ATOM 292 CA TYR A 92 7.022 -5.336 -0.925 1.00 1.00 C ATOM 293 C TYR A 92 6.139 -4.522 -1.873 1.00 1.00 C ATOM 294 O TYR A 92 4.915 -4.541 -1.756 1.00 1.00 O ATOM 295 CB TYR A 92 7.156 -6.759 -1.468 1.00 1.00 C ATOM 296 CG TYR A 92 8.208 -7.605 -0.746 1.00 1.00 C ATOM 297 CD1 TYR A 92 9.549 -7.323 -0.908 1.00 1.00 C ATOM 298 CD2 TYR A 92 7.815 -8.648 0.067 1.00 1.00 C ATOM 299 CE1 TYR A 92 10.538 -8.118 -0.228 1.00 1.00 C ATOM 300 CE2 TYR A 92 8.804 -9.443 0.747 1.00 1.00 C ATOM 301 CZ TYR A 92 10.118 -9.139 0.567 1.00 1.00 C ATOM 302 OH TYR A 92 11.052 -9.890 1.208 1.00 1.00 O ATOM 0 H TYR A 92 5.406 -5.689 0.363 1.00 1.00 H new ATOM 0 HA TYR A 92 7.982 -4.826 -0.847 1.00 1.00 H new ATOM 0 HB2 TYR A 92 6.190 -7.258 -1.393 1.00 1.00 H new ATOM 0 HB3 TYR A 92 7.408 -6.710 -2.527 1.00 1.00 H new ATOM 0 HD1 TYR A 92 9.856 -6.506 -1.544 1.00 1.00 H new ATOM 0 HD2 TYR A 92 6.765 -8.868 0.193 1.00 1.00 H new ATOM 0 HE1 TYR A 92 11.591 -7.908 -0.346 1.00 1.00 H new ATOM 0 HE2 TYR A 92 8.510 -10.263 1.386 1.00 1.00 H new ATOM 0 HH TYR A 92 10.610 -10.621 1.689 1.00 1.00 H new ATOM 311 N ARG A 93 6.795 -3.827 -2.790 1.00 1.00 N ATOM 312 CA ARG A 93 6.085 -3.008 -3.758 1.00 1.00 C ATOM 313 C ARG A 93 5.913 -3.769 -5.073 1.00 1.00 C ATOM 314 O ARG A 93 5.129 -3.366 -5.931 1.00 1.00 O ATOM 315 CB ARG A 93 6.834 -1.701 -4.028 1.00 1.00 C ATOM 316 CG ARG A 93 7.150 -0.970 -2.721 1.00 1.00 C ATOM 317 CD ARG A 93 6.050 0.034 -2.374 1.00 1.00 C ATOM 318 NE ARG A 93 5.756 0.889 -3.547 1.00 1.00 N ATOM 319 CZ ARG A 93 6.551 1.895 -3.967 1.00 1.00 C ATOM 320 NH1 ARG A 93 7.697 2.183 -3.314 1.00 1.00 N ATOM 321 NH2 ARG A 93 6.192 2.594 -5.028 1.00 1.00 N ATOM 0 H ARG A 93 7.811 -3.814 -2.883 1.00 1.00 H new ATOM 0 HA ARG A 93 5.106 -2.774 -3.339 1.00 1.00 H new ATOM 0 HB2 ARG A 93 7.759 -1.912 -4.564 1.00 1.00 H new ATOM 0 HB3 ARG A 93 6.232 -1.059 -4.672 1.00 1.00 H new ATOM 0 HG2 ARG A 93 7.255 -1.693 -1.912 1.00 1.00 H new ATOM 0 HG3 ARG A 93 8.105 -0.452 -2.812 1.00 1.00 H new ATOM 0 HD2 ARG A 93 5.149 -0.494 -2.064 1.00 1.00 H new ATOM 0 HD3 ARG A 93 6.363 0.652 -1.532 1.00 1.00 H new ATOM 0 HE ARG A 93 4.899 0.706 -4.070 1.00 1.00 H new ATOM 0 HH11 ARG A 93 7.968 1.638 -2.496 1.00 1.00 H new ATOM 0 HH12 ARG A 93 8.291 2.945 -3.639 1.00 1.00 H new ATOM 0 HH21 ARG A 93 5.325 2.370 -5.517 1.00 1.00 H new ATOM 0 HH22 ARG A 93 6.781 3.358 -5.359 1.00 1.00 H new ATOM 330 N THR A 94 6.659 -4.859 -5.191 1.00 1.00 N ATOM 331 CA THR A 94 6.599 -5.681 -6.388 1.00 1.00 C ATOM 332 C THR A 94 6.511 -7.161 -6.013 1.00 1.00 C ATOM 333 O THR A 94 6.937 -7.558 -4.930 1.00 1.00 O ATOM 334 CB THR A 94 7.814 -5.345 -7.254 1.00 1.00 C ATOM 335 OG1 THR A 94 8.928 -5.573 -6.395 1.00 1.00 O ATOM 336 CG2 THR A 94 7.900 -3.853 -7.588 1.00 1.00 C ATOM 0 H THR A 94 7.308 -5.191 -4.477 1.00 1.00 H new ATOM 0 HA THR A 94 5.701 -5.470 -6.968 1.00 1.00 H new ATOM 0 HB THR A 94 7.772 -5.922 -8.177 1.00 1.00 H new ATOM 0 HG1 THR A 94 9.463 -6.317 -6.743 1.00 1.00 H new ATOM 0 HG21 THR A 94 8.780 -3.668 -8.204 1.00 1.00 H new ATOM 0 HG22 THR A 94 7.006 -3.550 -8.132 1.00 1.00 H new ATOM 0 HG23 THR A 94 7.976 -3.277 -6.665 1.00 1.00 H new ATOM 344 N PRO A 95 5.940 -7.960 -6.955 1.00 1.00 N ATOM 345 CA PRO A 95 5.791 -9.388 -6.735 1.00 1.00 C ATOM 346 C PRO A 95 7.132 -10.109 -6.887 1.00 1.00 C ATOM 347 O PRO A 95 7.344 -11.164 -6.291 1.00 1.00 O ATOM 348 CB PRO A 95 4.756 -9.837 -7.754 1.00 1.00 C ATOM 349 CG PRO A 95 4.708 -8.745 -8.808 1.00 1.00 C ATOM 350 CD PRO A 95 5.424 -7.525 -8.249 1.00 1.00 C ATOM 0 HA PRO A 95 5.463 -9.626 -5.723 1.00 1.00 H new ATOM 0 HB2 PRO A 95 5.033 -10.794 -8.196 1.00 1.00 H new ATOM 0 HB3 PRO A 95 3.781 -9.972 -7.287 1.00 1.00 H new ATOM 0 HG2 PRO A 95 5.187 -9.081 -9.728 1.00 1.00 H new ATOM 0 HG3 PRO A 95 3.676 -8.501 -9.058 1.00 1.00 H new ATOM 0 HD2 PRO A 95 6.230 -7.202 -8.908 1.00 1.00 H new ATOM 0 HD3 PRO A 95 4.743 -6.681 -8.140 1.00 1.00 H new ATOM 355 N SER A 96 8.002 -9.511 -7.687 1.00 1.00 N ATOM 356 CA SER A 96 9.316 -10.084 -7.925 1.00 1.00 C ATOM 357 C SER A 96 10.359 -8.970 -8.034 1.00 1.00 C ATOM 358 O SER A 96 10.025 -7.789 -7.946 1.00 1.00 O ATOM 359 CB SER A 96 9.322 -10.942 -9.192 1.00 1.00 C ATOM 360 OG SER A 96 9.779 -12.267 -8.935 1.00 1.00 O ATOM 0 H SER A 96 7.823 -8.635 -8.179 1.00 1.00 H new ATOM 0 HA SER A 96 9.567 -10.728 -7.082 1.00 1.00 H new ATOM 0 HB2 SER A 96 8.316 -10.980 -9.610 1.00 1.00 H new ATOM 0 HB3 SER A 96 9.961 -10.477 -9.942 1.00 1.00 H new ATOM 0 HG SER A 96 9.767 -12.784 -9.767 1.00 1.00 H new ATOM 365 N PRO A 97 11.637 -9.395 -8.228 1.00 1.00 N ATOM 366 CA PRO A 97 12.731 -8.447 -8.351 1.00 1.00 C ATOM 367 C PRO A 97 12.714 -7.763 -9.719 1.00 1.00 C ATOM 368 O PRO A 97 12.822 -6.541 -9.807 1.00 1.00 O ATOM 369 CB PRO A 97 13.989 -9.266 -8.113 1.00 1.00 C ATOM 370 CG PRO A 97 13.589 -10.717 -8.327 1.00 1.00 C ATOM 371 CD PRO A 97 12.070 -10.785 -8.339 1.00 1.00 C ATOM 0 HA PRO A 97 12.661 -7.629 -7.634 1.00 1.00 H new ATOM 0 HB2 PRO A 97 14.781 -8.974 -8.802 1.00 1.00 H new ATOM 0 HB3 PRO A 97 14.371 -9.111 -7.104 1.00 1.00 H new ATOM 0 HG2 PRO A 97 13.995 -11.090 -9.267 1.00 1.00 H new ATOM 0 HG3 PRO A 97 13.993 -11.345 -7.533 1.00 1.00 H new ATOM 0 HD2 PRO A 97 11.701 -11.243 -9.257 1.00 1.00 H new ATOM 0 HD3 PRO A 97 11.694 -11.385 -7.510 1.00 1.00 H new ATOM 376 N ASP A 98 12.577 -8.580 -10.752 1.00 1.00 N ATOM 377 CA ASP A 98 12.545 -8.069 -12.112 1.00 1.00 C ATOM 378 C ASP A 98 11.091 -7.979 -12.583 1.00 1.00 C ATOM 379 O ASP A 98 10.786 -8.305 -13.729 1.00 1.00 O ATOM 380 CB ASP A 98 13.295 -8.997 -13.069 1.00 1.00 C ATOM 381 CG ASP A 98 14.036 -8.292 -14.206 1.00 1.00 C ATOM 382 OD1 ASP A 98 13.415 -7.668 -15.081 1.00 1.00 O ATOM 383 OD2 ASP A 98 15.320 -8.404 -14.174 1.00 1.00 O ATOM 0 H ASP A 98 12.487 -9.593 -10.675 1.00 1.00 H new ATOM 0 HA ASP A 98 13.022 -7.089 -12.115 1.00 1.00 H new ATOM 0 HB2 ASP A 98 14.014 -9.582 -12.495 1.00 1.00 H new ATOM 0 HB3 ASP A 98 12.583 -9.701 -13.501 1.00 1.00 H new ATOM 388 N ALA A 99 10.235 -7.536 -11.675 1.00 1.00 N ATOM 389 CA ALA A 99 8.822 -7.400 -11.984 1.00 1.00 C ATOM 390 C ALA A 99 8.401 -5.940 -11.796 1.00 1.00 C ATOM 391 O ALA A 99 8.978 -5.225 -10.978 1.00 1.00 O ATOM 392 CB ALA A 99 8.012 -8.357 -11.108 1.00 1.00 C ATOM 0 H ALA A 99 10.492 -7.267 -10.725 1.00 1.00 H new ATOM 0 HA ALA A 99 8.630 -7.668 -13.023 1.00 1.00 H new ATOM 0 HB1 ALA A 99 6.952 -8.254 -11.341 1.00 1.00 H new ATOM 0 HB2 ALA A 99 8.328 -9.382 -11.301 1.00 1.00 H new ATOM 0 HB3 ALA A 99 8.178 -8.117 -10.058 1.00 1.00 H new ATOM 398 N LYS A 100 7.400 -5.542 -12.566 1.00 1.00 N ATOM 399 CA LYS A 100 6.895 -4.182 -12.494 1.00 1.00 C ATOM 400 C LYS A 100 6.436 -3.887 -11.064 1.00 1.00 C ATOM 401 O LYS A 100 6.381 -4.787 -10.229 1.00 1.00 O ATOM 402 CB LYS A 100 5.809 -3.955 -13.548 1.00 1.00 C ATOM 403 CG LYS A 100 6.181 -4.628 -14.871 1.00 1.00 C ATOM 404 CD LYS A 100 5.463 -3.961 -16.046 1.00 1.00 C ATOM 405 CE LYS A 100 6.443 -3.641 -17.177 1.00 1.00 C ATOM 406 NZ LYS A 100 5.750 -2.934 -18.278 1.00 1.00 N ATOM 0 H LYS A 100 6.925 -6.138 -13.244 1.00 1.00 H new ATOM 0 HA LYS A 100 7.687 -3.470 -12.728 1.00 1.00 H new ATOM 0 HB2 LYS A 100 4.859 -4.351 -13.188 1.00 1.00 H new ATOM 0 HB3 LYS A 100 5.669 -2.886 -13.706 1.00 1.00 H new ATOM 0 HG2 LYS A 100 7.259 -4.573 -15.021 1.00 1.00 H new ATOM 0 HG3 LYS A 100 5.918 -5.685 -14.832 1.00 1.00 H new ATOM 0 HD2 LYS A 100 4.676 -4.618 -16.417 1.00 1.00 H new ATOM 0 HD3 LYS A 100 4.980 -3.044 -15.708 1.00 1.00 H new ATOM 0 HE2 LYS A 100 7.258 -3.025 -16.797 1.00 1.00 H new ATOM 0 HE3 LYS A 100 6.889 -4.562 -17.552 1.00 1.00 H new ATOM 0 HZ1 LYS A 100 6.429 -2.724 -19.037 1.00 1.00 H new ATOM 0 HZ2 LYS A 100 4.988 -3.535 -18.651 1.00 1.00 H new ATOM 0 HZ3 LYS A 100 5.346 -2.045 -17.920 1.00 1.00 H new ATOM 415 N ALA A 101 6.118 -2.622 -10.827 1.00 1.00 N ATOM 416 CA ALA A 101 5.665 -2.199 -9.514 1.00 1.00 C ATOM 417 C ALA A 101 4.135 -2.201 -9.481 1.00 1.00 C ATOM 418 O ALA A 101 3.490 -1.712 -10.408 1.00 1.00 O ATOM 419 CB ALA A 101 6.252 -0.824 -9.190 1.00 1.00 C ATOM 0 H ALA A 101 6.165 -1.877 -11.522 1.00 1.00 H new ATOM 0 HA ALA A 101 6.012 -2.892 -8.747 1.00 1.00 H new ATOM 0 HB1 ALA A 101 5.912 -0.506 -8.204 1.00 1.00 H new ATOM 0 HB2 ALA A 101 7.340 -0.882 -9.197 1.00 1.00 H new ATOM 0 HB3 ALA A 101 5.922 -0.102 -9.937 1.00 1.00 H new ATOM 425 N PHE A 102 3.598 -2.754 -8.405 1.00 1.00 N ATOM 426 CA PHE A 102 2.155 -2.826 -8.239 1.00 1.00 C ATOM 427 C PHE A 102 1.526 -1.434 -8.316 1.00 1.00 C ATOM 428 O PHE A 102 0.457 -1.264 -8.901 1.00 1.00 O ATOM 429 CB PHE A 102 1.893 -3.417 -6.852 1.00 1.00 C ATOM 430 CG PHE A 102 1.860 -4.946 -6.823 1.00 1.00 C ATOM 431 CD1 PHE A 102 0.772 -5.611 -7.295 1.00 1.00 C ATOM 432 CD2 PHE A 102 2.919 -5.640 -6.326 1.00 1.00 C ATOM 433 CE1 PHE A 102 0.740 -7.031 -7.268 1.00 1.00 C ATOM 434 CE2 PHE A 102 2.887 -7.059 -6.300 1.00 1.00 C ATOM 435 CZ PHE A 102 1.799 -7.725 -6.771 1.00 1.00 C ATOM 0 H PHE A 102 4.136 -3.157 -7.638 1.00 1.00 H new ATOM 0 HA PHE A 102 1.719 -3.437 -9.029 1.00 1.00 H new ATOM 0 HB2 PHE A 102 2.666 -3.068 -6.168 1.00 1.00 H new ATOM 0 HB3 PHE A 102 0.942 -3.036 -6.480 1.00 1.00 H new ATOM 0 HD1 PHE A 102 -0.068 -5.060 -7.691 1.00 1.00 H new ATOM 0 HD2 PHE A 102 3.783 -5.112 -5.951 1.00 1.00 H new ATOM 0 HE1 PHE A 102 -0.125 -7.559 -7.642 1.00 1.00 H new ATOM 0 HE2 PHE A 102 3.728 -7.610 -5.906 1.00 1.00 H new ATOM 0 HZ PHE A 102 1.776 -8.805 -6.750 1.00 1.00 H new ATOM 444 N ILE A 103 2.214 -0.474 -7.716 1.00 1.00 N ATOM 445 CA ILE A 103 1.734 0.898 -7.709 1.00 1.00 C ATOM 446 C ILE A 103 2.903 1.843 -8.000 1.00 1.00 C ATOM 447 O ILE A 103 3.783 2.024 -7.161 1.00 1.00 O ATOM 448 CB ILE A 103 1.008 1.205 -6.398 1.00 1.00 C ATOM 449 CG1 ILE A 103 -0.426 0.671 -6.428 1.00 1.00 C ATOM 450 CG2 ILE A 103 1.056 2.701 -6.080 1.00 1.00 C ATOM 451 CD1 ILE A 103 -1.217 1.156 -5.212 1.00 1.00 C ATOM 0 H ILE A 103 3.100 -0.619 -7.231 1.00 1.00 H new ATOM 0 HA ILE A 103 0.997 1.048 -8.498 1.00 1.00 H new ATOM 0 HB ILE A 103 1.528 0.689 -5.591 1.00 1.00 H new ATOM 0 HG12 ILE A 103 -0.921 0.999 -7.342 1.00 1.00 H new ATOM 0 HG13 ILE A 103 -0.412 -0.419 -6.446 1.00 1.00 H new ATOM 0 HG21 ILE A 103 0.532 2.891 -5.143 1.00 1.00 H new ATOM 0 HG22 ILE A 103 2.094 3.020 -5.987 1.00 1.00 H new ATOM 0 HG23 ILE A 103 0.576 3.259 -6.884 1.00 1.00 H new ATOM 0 HD11 ILE A 103 -2.232 0.762 -5.258 1.00 1.00 H new ATOM 0 HD12 ILE A 103 -0.733 0.806 -4.300 1.00 1.00 H new ATOM 0 HD13 ILE A 103 -1.250 2.245 -5.210 1.00 1.00 H new ATOM 462 N GLU A 104 2.871 2.420 -9.192 1.00 1.00 N ATOM 463 CA GLU A 104 3.916 3.342 -9.604 1.00 1.00 C ATOM 464 C GLU A 104 3.556 4.771 -9.192 1.00 1.00 C ATOM 465 O GLU A 104 2.576 5.332 -9.676 1.00 1.00 O ATOM 466 CB GLU A 104 4.162 3.252 -11.111 1.00 1.00 C ATOM 467 CG GLU A 104 5.219 2.194 -11.433 1.00 1.00 C ATOM 468 CD GLU A 104 6.020 2.579 -12.680 1.00 1.00 C ATOM 469 OE1 GLU A 104 5.524 3.342 -13.522 1.00 1.00 O ATOM 470 OE2 GLU A 104 7.196 2.056 -12.755 1.00 1.00 O ATOM 0 H GLU A 104 2.139 2.267 -9.885 1.00 1.00 H new ATOM 0 HA GLU A 104 4.841 3.062 -9.100 1.00 1.00 H new ATOM 0 HB2 GLU A 104 3.230 3.007 -11.621 1.00 1.00 H new ATOM 0 HB3 GLU A 104 4.486 4.222 -11.488 1.00 1.00 H new ATOM 0 HG2 GLU A 104 5.894 2.079 -10.585 1.00 1.00 H new ATOM 0 HG3 GLU A 104 4.737 1.229 -11.590 1.00 1.00 H new ATOM 476 N VAL A 105 4.371 5.318 -8.301 1.00 1.00 N ATOM 477 CA VAL A 105 4.151 6.670 -7.817 1.00 1.00 C ATOM 478 C VAL A 105 3.699 7.556 -8.980 1.00 1.00 C ATOM 479 O VAL A 105 4.451 7.770 -9.930 1.00 1.00 O ATOM 480 CB VAL A 105 5.413 7.190 -7.125 1.00 1.00 C ATOM 481 CG1 VAL A 105 5.190 8.595 -6.562 1.00 1.00 C ATOM 482 CG2 VAL A 105 5.873 6.226 -6.029 1.00 1.00 C ATOM 0 H VAL A 105 5.184 4.849 -7.902 1.00 1.00 H new ATOM 0 HA VAL A 105 3.357 6.684 -7.070 1.00 1.00 H new ATOM 0 HB VAL A 105 6.205 7.251 -7.872 1.00 1.00 H new ATOM 0 HG11 VAL A 105 6.102 8.941 -6.076 1.00 1.00 H new ATOM 0 HG12 VAL A 105 4.931 9.275 -7.373 1.00 1.00 H new ATOM 0 HG13 VAL A 105 4.378 8.571 -5.835 1.00 1.00 H new ATOM 0 HG21 VAL A 105 6.771 6.619 -5.553 1.00 1.00 H new ATOM 0 HG22 VAL A 105 5.085 6.119 -5.284 1.00 1.00 H new ATOM 0 HG23 VAL A 105 6.091 5.253 -6.469 1.00 1.00 H new ATOM 492 N GLY A 106 2.474 8.046 -8.866 1.00 1.00 N ATOM 493 CA GLY A 106 1.914 8.904 -9.897 1.00 1.00 C ATOM 494 C GLY A 106 0.739 8.220 -10.600 1.00 1.00 C ATOM 495 O GLY A 106 0.325 8.644 -11.678 1.00 1.00 O ATOM 0 H GLY A 106 1.854 7.866 -8.077 1.00 1.00 H new ATOM 0 HA2 GLY A 106 1.581 9.842 -9.453 1.00 1.00 H new ATOM 0 HA3 GLY A 106 2.685 9.152 -10.627 1.00 1.00 H new ATOM 499 N GLN A 107 0.235 7.175 -9.961 1.00 1.00 N ATOM 500 CA GLN A 107 -0.883 6.428 -10.512 1.00 1.00 C ATOM 501 C GLN A 107 -2.057 6.430 -9.531 1.00 1.00 C ATOM 502 O GLN A 107 -1.916 6.866 -8.389 1.00 1.00 O ATOM 503 CB GLN A 107 -0.467 5.000 -10.868 1.00 1.00 C ATOM 504 CG GLN A 107 -1.491 4.346 -11.797 1.00 1.00 C ATOM 505 CD GLN A 107 -0.832 3.277 -12.673 1.00 1.00 C ATOM 506 OE1 GLN A 107 -0.739 3.401 -13.883 1.00 1.00 O ATOM 507 NE2 GLN A 107 -0.383 2.225 -11.996 1.00 1.00 N ATOM 0 H GLN A 107 0.580 6.828 -9.066 1.00 1.00 H new ATOM 0 HA GLN A 107 -1.203 6.917 -11.432 1.00 1.00 H new ATOM 0 HB2 GLN A 107 0.511 5.012 -11.350 1.00 1.00 H new ATOM 0 HB3 GLN A 107 -0.367 4.409 -9.958 1.00 1.00 H new ATOM 0 HG2 GLN A 107 -2.289 3.896 -11.206 1.00 1.00 H new ATOM 0 HG3 GLN A 107 -1.952 5.106 -12.428 1.00 1.00 H new ATOM 0 HE21 GLN A 107 -0.494 2.185 -10.983 1.00 1.00 H new ATOM 0 HE22 GLN A 107 0.072 1.457 -12.490 1.00 1.00 H new ATOM 514 N LYS A 108 -3.188 5.935 -10.011 1.00 1.00 N ATOM 515 CA LYS A 108 -4.386 5.873 -9.190 1.00 1.00 C ATOM 516 C LYS A 108 -4.742 4.409 -8.924 1.00 1.00 C ATOM 517 O LYS A 108 -4.309 3.519 -9.654 1.00 1.00 O ATOM 518 CB LYS A 108 -5.518 6.675 -9.835 1.00 1.00 C ATOM 519 CG LYS A 108 -6.626 6.971 -8.822 1.00 1.00 C ATOM 520 CD LYS A 108 -7.574 8.051 -9.345 1.00 1.00 C ATOM 521 CE LYS A 108 -6.967 9.445 -9.172 1.00 1.00 C ATOM 522 NZ LYS A 108 -7.668 10.426 -10.029 1.00 1.00 N ATOM 0 H LYS A 108 -3.301 5.573 -10.958 1.00 1.00 H new ATOM 0 HA LYS A 108 -4.209 6.338 -8.220 1.00 1.00 H new ATOM 0 HB2 LYS A 108 -5.125 7.610 -10.233 1.00 1.00 H new ATOM 0 HB3 LYS A 108 -5.929 6.118 -10.677 1.00 1.00 H new ATOM 0 HG2 LYS A 108 -7.187 6.060 -8.615 1.00 1.00 H new ATOM 0 HG3 LYS A 108 -6.185 7.295 -7.880 1.00 1.00 H new ATOM 0 HD2 LYS A 108 -7.789 7.872 -10.399 1.00 1.00 H new ATOM 0 HD3 LYS A 108 -8.523 7.995 -8.812 1.00 1.00 H new ATOM 0 HE2 LYS A 108 -7.036 9.751 -8.128 1.00 1.00 H new ATOM 0 HE3 LYS A 108 -5.908 9.421 -9.428 1.00 1.00 H new ATOM 0 HZ1 LYS A 108 -7.243 11.366 -9.899 1.00 1.00 H new ATOM 0 HZ2 LYS A 108 -7.581 10.141 -11.025 1.00 1.00 H new ATOM 0 HZ3 LYS A 108 -8.674 10.461 -9.766 1.00 1.00 H new ATOM 531 N VAL A 109 -5.528 4.205 -7.878 1.00 1.00 N ATOM 532 CA VAL A 109 -5.948 2.864 -7.507 1.00 1.00 C ATOM 533 C VAL A 109 -7.419 2.894 -7.087 1.00 1.00 C ATOM 534 O VAL A 109 -7.904 3.905 -6.584 1.00 1.00 O ATOM 535 CB VAL A 109 -5.025 2.310 -6.418 1.00 1.00 C ATOM 536 CG1 VAL A 109 -3.608 2.103 -6.955 1.00 1.00 C ATOM 537 CG2 VAL A 109 -5.019 3.221 -5.190 1.00 1.00 C ATOM 0 H VAL A 109 -5.886 4.946 -7.275 1.00 1.00 H new ATOM 0 HA VAL A 109 -5.867 2.188 -8.358 1.00 1.00 H new ATOM 0 HB VAL A 109 -5.412 1.338 -6.112 1.00 1.00 H new ATOM 0 HG11 VAL A 109 -2.972 1.709 -6.162 1.00 1.00 H new ATOM 0 HG12 VAL A 109 -3.633 1.397 -7.785 1.00 1.00 H new ATOM 0 HG13 VAL A 109 -3.207 3.056 -7.301 1.00 1.00 H new ATOM 0 HG21 VAL A 109 -4.356 2.805 -4.432 1.00 1.00 H new ATOM 0 HG22 VAL A 109 -4.668 4.213 -5.475 1.00 1.00 H new ATOM 0 HG23 VAL A 109 -6.029 3.296 -4.787 1.00 1.00 H new ATOM 547 N ASN A 110 -8.087 1.770 -7.309 1.00 1.00 N ATOM 548 CA ASN A 110 -9.492 1.653 -6.960 1.00 1.00 C ATOM 549 C ASN A 110 -9.692 0.420 -6.078 1.00 1.00 C ATOM 550 O ASN A 110 -9.009 -0.588 -6.250 1.00 1.00 O ATOM 551 CB ASN A 110 -10.357 1.487 -8.211 1.00 1.00 C ATOM 552 CG ASN A 110 -9.874 0.310 -9.060 1.00 1.00 C ATOM 553 OD1 ASN A 110 -10.241 -0.834 -8.849 1.00 1.00 O ATOM 554 ND2 ASN A 110 -9.031 0.654 -10.029 1.00 1.00 N ATOM 0 H ASN A 110 -7.680 0.933 -7.726 1.00 1.00 H new ATOM 0 HA ASN A 110 -9.787 2.562 -6.436 1.00 1.00 H new ATOM 0 HB2 ASN A 110 -11.396 1.328 -7.921 1.00 1.00 H new ATOM 0 HB3 ASN A 110 -10.327 2.402 -8.802 1.00 1.00 H new ATOM 0 HD21 ASN A 110 -8.650 -0.059 -10.651 1.00 1.00 H new ATOM 0 HD22 ASN A 110 -8.765 1.631 -10.151 1.00 1.00 H new ATOM 560 N VAL A 111 -10.634 0.540 -5.153 1.00 1.00 N ATOM 561 CA VAL A 111 -10.933 -0.553 -4.243 1.00 1.00 C ATOM 562 C VAL A 111 -10.898 -1.875 -5.013 1.00 1.00 C ATOM 563 O VAL A 111 -11.776 -2.144 -5.831 1.00 1.00 O ATOM 564 CB VAL A 111 -12.273 -0.301 -3.547 1.00 1.00 C ATOM 565 CG1 VAL A 111 -13.442 -0.710 -4.445 1.00 1.00 C ATOM 566 CG2 VAL A 111 -12.335 -1.026 -2.202 1.00 1.00 C ATOM 0 H VAL A 111 -11.200 1.377 -5.014 1.00 1.00 H new ATOM 0 HA VAL A 111 -10.180 -0.614 -3.457 1.00 1.00 H new ATOM 0 HB VAL A 111 -12.356 0.769 -3.356 1.00 1.00 H new ATOM 0 HG11 VAL A 111 -14.382 -0.521 -3.927 1.00 1.00 H new ATOM 0 HG12 VAL A 111 -13.413 -0.130 -5.367 1.00 1.00 H new ATOM 0 HG13 VAL A 111 -13.365 -1.771 -4.681 1.00 1.00 H new ATOM 0 HG21 VAL A 111 -13.297 -0.831 -1.728 1.00 1.00 H new ATOM 0 HG22 VAL A 111 -12.219 -2.098 -2.361 1.00 1.00 H new ATOM 0 HG23 VAL A 111 -11.533 -0.666 -1.557 1.00 1.00 H new ATOM 576 N GLY A 112 -9.875 -2.664 -4.723 1.00 1.00 N ATOM 577 CA GLY A 112 -9.714 -3.952 -5.377 1.00 1.00 C ATOM 578 C GLY A 112 -8.354 -4.046 -6.072 1.00 1.00 C ATOM 579 O GLY A 112 -7.856 -5.144 -6.322 1.00 1.00 O ATOM 0 H GLY A 112 -9.149 -2.437 -4.044 1.00 1.00 H new ATOM 0 HA2 GLY A 112 -9.807 -4.752 -4.642 1.00 1.00 H new ATOM 0 HA3 GLY A 112 -10.511 -4.096 -6.107 1.00 1.00 H new ATOM 583 N ASP A 113 -7.793 -2.883 -6.365 1.00 1.00 N ATOM 584 CA ASP A 113 -6.500 -2.821 -7.027 1.00 1.00 C ATOM 585 C ASP A 113 -5.393 -3.052 -5.997 1.00 1.00 C ATOM 586 O ASP A 113 -5.413 -2.464 -4.917 1.00 1.00 O ATOM 587 CB ASP A 113 -6.274 -1.450 -7.667 1.00 1.00 C ATOM 588 CG ASP A 113 -6.646 -1.357 -9.147 1.00 1.00 C ATOM 589 OD1 ASP A 113 -5.895 -0.798 -9.960 1.00 1.00 O ATOM 590 OD2 ASP A 113 -7.776 -1.896 -9.460 1.00 1.00 O ATOM 0 H ASP A 113 -8.209 -1.976 -6.157 1.00 1.00 H new ATOM 0 HA ASP A 113 -6.481 -3.587 -7.802 1.00 1.00 H new ATOM 0 HB2 ASP A 113 -6.852 -0.709 -7.115 1.00 1.00 H new ATOM 0 HB3 ASP A 113 -5.223 -1.182 -7.555 1.00 1.00 H new ATOM 595 N THR A 114 -4.452 -3.910 -6.367 1.00 1.00 N ATOM 596 CA THR A 114 -3.339 -4.224 -5.488 1.00 1.00 C ATOM 597 C THR A 114 -2.589 -2.949 -5.100 1.00 1.00 C ATOM 598 O THR A 114 -2.439 -2.041 -5.915 1.00 1.00 O ATOM 599 CB THR A 114 -2.458 -5.258 -6.193 1.00 1.00 C ATOM 600 OG1 THR A 114 -3.362 -6.300 -6.549 1.00 1.00 O ATOM 601 CG2 THR A 114 -1.468 -5.931 -5.240 1.00 1.00 C ATOM 0 H THR A 114 -4.438 -4.397 -7.263 1.00 1.00 H new ATOM 0 HA THR A 114 -3.686 -4.657 -4.549 1.00 1.00 H new ATOM 0 HB THR A 114 -1.911 -4.776 -7.003 1.00 1.00 H new ATOM 0 HG1 THR A 114 -2.874 -7.012 -7.013 1.00 1.00 H new ATOM 0 HG21 THR A 114 -0.868 -6.655 -5.791 1.00 1.00 H new ATOM 0 HG22 THR A 114 -0.815 -5.177 -4.802 1.00 1.00 H new ATOM 0 HG23 THR A 114 -2.015 -6.441 -4.448 1.00 1.00 H new ATOM 609 N LEU A 115 -2.138 -2.923 -3.854 1.00 1.00 N ATOM 610 CA LEU A 115 -1.407 -1.774 -3.348 1.00 1.00 C ATOM 611 C LEU A 115 0.046 -2.174 -3.084 1.00 1.00 C ATOM 612 O LEU A 115 0.954 -1.356 -3.219 1.00 1.00 O ATOM 613 CB LEU A 115 -2.114 -1.185 -2.125 1.00 1.00 C ATOM 614 CG LEU A 115 -2.356 0.325 -2.152 1.00 1.00 C ATOM 615 CD1 LEU A 115 -3.475 0.684 -3.132 1.00 1.00 C ATOM 616 CD2 LEU A 115 -2.630 0.862 -0.746 1.00 1.00 C ATOM 0 H LEU A 115 -2.265 -3.679 -3.181 1.00 1.00 H new ATOM 0 HA LEU A 115 -1.389 -0.977 -4.092 1.00 1.00 H new ATOM 0 HB2 LEU A 115 -3.076 -1.685 -2.011 1.00 1.00 H new ATOM 0 HB3 LEU A 115 -1.524 -1.422 -1.240 1.00 1.00 H new ATOM 0 HG LEU A 115 -1.448 0.810 -2.510 1.00 1.00 H new ATOM 0 HD11 LEU A 115 -3.627 1.763 -3.132 1.00 1.00 H new ATOM 0 HD12 LEU A 115 -3.200 0.357 -4.135 1.00 1.00 H new ATOM 0 HD13 LEU A 115 -4.397 0.188 -2.829 1.00 1.00 H new ATOM 0 HD21 LEU A 115 -2.799 1.938 -0.794 1.00 1.00 H new ATOM 0 HD22 LEU A 115 -3.514 0.374 -0.336 1.00 1.00 H new ATOM 0 HD23 LEU A 115 -1.773 0.657 -0.105 1.00 1.00 H new ATOM 627 N CYS A 116 0.220 -3.435 -2.714 1.00 1.00 N ATOM 628 CA CYS A 116 1.547 -3.954 -2.430 1.00 1.00 C ATOM 629 C CYS A 116 1.403 -5.390 -1.922 1.00 1.00 C ATOM 630 O CYS A 116 0.308 -5.951 -1.939 1.00 1.00 O ATOM 631 CB CYS A 116 2.300 -3.069 -1.436 1.00 1.00 C ATOM 632 SG CYS A 116 1.139 -2.394 -0.193 1.00 1.00 S ATOM 0 H CYS A 116 -0.535 -4.112 -2.605 1.00 1.00 H new ATOM 0 HA CYS A 116 2.144 -3.951 -3.342 1.00 1.00 H new ATOM 0 HB2 CYS A 116 3.080 -3.647 -0.941 1.00 1.00 H new ATOM 0 HB3 CYS A 116 2.794 -2.254 -1.964 1.00 1.00 H new ATOM 0 HG CYS A 116 1.703 -2.404 0.978 1.00 1.00 H new ATOM 637 N ILE A 117 2.522 -5.943 -1.480 1.00 1.00 N ATOM 638 CA ILE A 117 2.534 -7.303 -0.967 1.00 1.00 C ATOM 639 C ILE A 117 3.032 -7.293 0.480 1.00 1.00 C ATOM 640 O ILE A 117 3.700 -6.351 0.903 1.00 1.00 O ATOM 641 CB ILE A 117 3.343 -8.217 -1.890 1.00 1.00 C ATOM 642 CG1 ILE A 117 2.837 -8.128 -3.331 1.00 1.00 C ATOM 643 CG2 ILE A 117 3.345 -9.656 -1.371 1.00 1.00 C ATOM 644 CD1 ILE A 117 3.268 -9.353 -4.140 1.00 1.00 C ATOM 0 H ILE A 117 3.428 -5.474 -1.466 1.00 1.00 H new ATOM 0 HA ILE A 117 1.525 -7.715 -0.954 1.00 1.00 H new ATOM 0 HB ILE A 117 4.377 -7.873 -1.891 1.00 1.00 H new ATOM 0 HG12 ILE A 117 1.750 -8.050 -3.334 1.00 1.00 H new ATOM 0 HG13 ILE A 117 3.223 -7.223 -3.801 1.00 1.00 H new ATOM 0 HG21 ILE A 117 3.927 -10.285 -2.045 1.00 1.00 H new ATOM 0 HG22 ILE A 117 3.789 -9.683 -0.376 1.00 1.00 H new ATOM 0 HG23 ILE A 117 2.321 -10.027 -1.322 1.00 1.00 H new ATOM 0 HD11 ILE A 117 2.895 -9.265 -5.161 1.00 1.00 H new ATOM 0 HD12 ILE A 117 4.356 -9.415 -4.155 1.00 1.00 H new ATOM 0 HD13 ILE A 117 2.860 -10.254 -3.682 1.00 1.00 H new ATOM 655 N VAL A 118 2.687 -8.352 1.198 1.00 1.00 N ATOM 656 CA VAL A 118 3.090 -8.477 2.588 1.00 1.00 C ATOM 657 C VAL A 118 3.508 -9.923 2.865 1.00 1.00 C ATOM 658 O VAL A 118 2.718 -10.847 2.680 1.00 1.00 O ATOM 659 CB VAL A 118 1.965 -7.994 3.505 1.00 1.00 C ATOM 660 CG1 VAL A 118 2.231 -8.395 4.958 1.00 1.00 C ATOM 661 CG2 VAL A 118 1.768 -6.481 3.381 1.00 1.00 C ATOM 0 H VAL A 118 2.133 -9.131 0.843 1.00 1.00 H new ATOM 0 HA VAL A 118 3.953 -7.844 2.794 1.00 1.00 H new ATOM 0 HB VAL A 118 1.042 -8.479 3.187 1.00 1.00 H new ATOM 0 HG11 VAL A 118 1.416 -8.039 5.589 1.00 1.00 H new ATOM 0 HG12 VAL A 118 2.298 -9.481 5.029 1.00 1.00 H new ATOM 0 HG13 VAL A 118 3.169 -7.951 5.292 1.00 1.00 H new ATOM 0 HG21 VAL A 118 0.963 -6.163 4.043 1.00 1.00 H new ATOM 0 HG22 VAL A 118 2.690 -5.970 3.660 1.00 1.00 H new ATOM 0 HG23 VAL A 118 1.511 -6.231 2.352 1.00 1.00 H new ATOM 671 N GLU A 119 4.749 -10.073 3.304 1.00 1.00 N ATOM 672 CA GLU A 119 5.281 -11.391 3.609 1.00 1.00 C ATOM 673 C GLU A 119 4.906 -11.797 5.035 1.00 1.00 C ATOM 674 O GLU A 119 5.141 -11.047 5.981 1.00 1.00 O ATOM 675 CB GLU A 119 6.797 -11.428 3.408 1.00 1.00 C ATOM 676 CG GLU A 119 7.232 -12.747 2.765 1.00 1.00 C ATOM 677 CD GLU A 119 8.558 -12.583 2.021 1.00 1.00 C ATOM 678 OE1 GLU A 119 9.506 -11.997 2.564 1.00 1.00 O ATOM 679 OE2 GLU A 119 8.584 -13.090 0.834 1.00 1.00 O ATOM 0 H GLU A 119 5.402 -9.304 3.456 1.00 1.00 H new ATOM 0 HA GLU A 119 4.838 -12.110 2.920 1.00 1.00 H new ATOM 0 HB2 GLU A 119 7.105 -10.593 2.778 1.00 1.00 H new ATOM 0 HB3 GLU A 119 7.298 -11.304 4.368 1.00 1.00 H new ATOM 0 HG2 GLU A 119 7.334 -13.514 3.533 1.00 1.00 H new ATOM 0 HG3 GLU A 119 6.463 -13.090 2.073 1.00 1.00 H new ATOM 685 N ALA A 120 4.330 -12.985 5.145 1.00 1.00 N ATOM 686 CA ALA A 120 3.920 -13.502 6.440 1.00 1.00 C ATOM 687 C ALA A 120 3.546 -14.978 6.300 1.00 1.00 C ATOM 688 O ALA A 120 3.373 -15.476 5.189 1.00 1.00 O ATOM 689 CB ALA A 120 2.766 -12.657 6.984 1.00 1.00 C ATOM 0 H ALA A 120 4.137 -13.605 4.358 1.00 1.00 H new ATOM 0 HA ALA A 120 4.739 -13.436 7.156 1.00 1.00 H new ATOM 0 HB1 ALA A 120 2.458 -13.044 7.955 1.00 1.00 H new ATOM 0 HB2 ALA A 120 3.092 -11.623 7.093 1.00 1.00 H new ATOM 0 HB3 ALA A 120 1.925 -12.702 6.292 1.00 1.00 H new ATOM 695 N MET A 121 3.431 -15.637 7.444 1.00 1.00 N ATOM 696 CA MET A 121 3.081 -17.048 7.463 1.00 1.00 C ATOM 697 C MET A 121 3.843 -17.816 6.382 1.00 1.00 C ATOM 698 O MET A 121 3.264 -18.646 5.682 1.00 1.00 O ATOM 699 CB MET A 121 1.576 -17.203 7.236 1.00 1.00 C ATOM 700 CG MET A 121 1.172 -16.678 5.857 1.00 1.00 C ATOM 701 SD MET A 121 -0.502 -17.172 5.482 1.00 1.00 S ATOM 702 CE MET A 121 -1.349 -15.623 5.750 1.00 1.00 C ATOM 0 H MET A 121 3.574 -15.220 8.364 1.00 1.00 H new ATOM 0 HA MET A 121 3.355 -17.459 8.435 1.00 1.00 H new ATOM 0 HB2 MET A 121 1.298 -18.253 7.325 1.00 1.00 H new ATOM 0 HB3 MET A 121 1.030 -16.662 8.009 1.00 1.00 H new ATOM 0 HG2 MET A 121 1.253 -15.591 5.835 1.00 1.00 H new ATOM 0 HG3 MET A 121 1.853 -17.064 5.098 1.00 1.00 H new ATOM 0 HE1 MET A 121 -1.894 -15.665 6.693 1.00 1.00 H new ATOM 0 HE2 MET A 121 -0.621 -14.812 5.787 1.00 1.00 H new ATOM 0 HE3 MET A 121 -2.049 -15.445 4.934 1.00 1.00 H new ATOM 710 N LYS A 122 5.128 -17.513 6.280 1.00 1.00 N ATOM 711 CA LYS A 122 5.975 -18.166 5.295 1.00 1.00 C ATOM 712 C LYS A 122 5.234 -18.238 3.959 1.00 1.00 C ATOM 713 O LYS A 122 5.128 -19.307 3.361 1.00 1.00 O ATOM 714 CB LYS A 122 6.445 -19.527 5.812 1.00 1.00 C ATOM 715 CG LYS A 122 5.260 -20.464 6.046 1.00 1.00 C ATOM 716 CD LYS A 122 5.734 -21.899 6.284 1.00 1.00 C ATOM 717 CE LYS A 122 5.896 -22.182 7.779 1.00 1.00 C ATOM 718 NZ LYS A 122 7.237 -21.759 8.244 1.00 1.00 N ATOM 0 H LYS A 122 5.604 -16.824 6.863 1.00 1.00 H new ATOM 0 HA LYS A 122 6.881 -17.584 5.126 1.00 1.00 H new ATOM 0 HB2 LYS A 122 7.131 -19.975 5.094 1.00 1.00 H new ATOM 0 HB3 LYS A 122 6.998 -19.395 6.742 1.00 1.00 H new ATOM 0 HG2 LYS A 122 4.684 -20.120 6.905 1.00 1.00 H new ATOM 0 HG3 LYS A 122 4.594 -20.436 5.184 1.00 1.00 H new ATOM 0 HD2 LYS A 122 5.018 -22.599 5.853 1.00 1.00 H new ATOM 0 HD3 LYS A 122 6.684 -22.061 5.774 1.00 1.00 H new ATOM 0 HE2 LYS A 122 5.126 -21.653 8.341 1.00 1.00 H new ATOM 0 HE3 LYS A 122 5.757 -23.246 7.971 1.00 1.00 H new ATOM 0 HZ1 LYS A 122 7.714 -22.561 8.704 1.00 1.00 H new ATOM 0 HZ2 LYS A 122 7.802 -21.440 7.431 1.00 1.00 H new ATOM 0 HZ3 LYS A 122 7.138 -20.978 8.924 1.00 1.00 H new ATOM 727 N MET A 123 4.739 -17.086 3.530 1.00 1.00 N ATOM 728 CA MET A 123 4.011 -17.005 2.275 1.00 1.00 C ATOM 729 C MET A 123 3.670 -15.554 1.932 1.00 1.00 C ATOM 730 O MET A 123 3.552 -14.713 2.822 1.00 1.00 O ATOM 731 CB MET A 123 2.722 -17.822 2.380 1.00 1.00 C ATOM 732 CG MET A 123 2.778 -19.052 1.471 1.00 1.00 C ATOM 733 SD MET A 123 1.254 -19.205 0.555 1.00 1.00 S ATOM 734 CE MET A 123 1.596 -20.690 -0.373 1.00 1.00 C ATOM 0 H MET A 123 4.828 -16.201 4.029 1.00 1.00 H new ATOM 0 HA MET A 123 4.643 -17.407 1.483 1.00 1.00 H new ATOM 0 HB2 MET A 123 2.569 -18.135 3.413 1.00 1.00 H new ATOM 0 HB3 MET A 123 1.870 -17.201 2.105 1.00 1.00 H new ATOM 0 HG2 MET A 123 3.619 -18.967 0.782 1.00 1.00 H new ATOM 0 HG3 MET A 123 2.944 -19.948 2.068 1.00 1.00 H new ATOM 0 HE1 MET A 123 0.740 -20.931 -1.003 1.00 1.00 H new ATOM 0 HE2 MET A 123 2.475 -20.534 -0.999 1.00 1.00 H new ATOM 0 HE3 MET A 123 1.783 -21.514 0.315 1.00 1.00 H new ATOM 742 N MET A 124 3.520 -15.304 0.640 1.00 1.00 N ATOM 743 CA MET A 124 3.195 -13.970 0.168 1.00 1.00 C ATOM 744 C MET A 124 1.722 -13.641 0.424 1.00 1.00 C ATOM 745 O MET A 124 0.851 -14.488 0.231 1.00 1.00 O ATOM 746 CB MET A 124 3.486 -13.872 -1.331 1.00 1.00 C ATOM 747 CG MET A 124 2.747 -14.964 -2.106 1.00 1.00 C ATOM 748 SD MET A 124 3.832 -16.351 -2.393 1.00 1.00 S ATOM 749 CE MET A 124 4.751 -15.741 -3.796 1.00 1.00 C ATOM 0 H MET A 124 3.618 -16.004 -0.095 1.00 1.00 H new ATOM 0 HA MET A 124 3.809 -13.253 0.714 1.00 1.00 H new ATOM 0 HB2 MET A 124 3.184 -12.892 -1.700 1.00 1.00 H new ATOM 0 HB3 MET A 124 4.559 -13.961 -1.503 1.00 1.00 H new ATOM 0 HG2 MET A 124 1.870 -15.288 -1.546 1.00 1.00 H new ATOM 0 HG3 MET A 124 2.390 -14.568 -3.057 1.00 1.00 H new ATOM 0 HE1 MET A 124 5.729 -16.221 -3.827 1.00 1.00 H new ATOM 0 HE2 MET A 124 4.207 -15.967 -4.713 1.00 1.00 H new ATOM 0 HE3 MET A 124 4.878 -14.662 -3.706 1.00 1.00 H new ATOM 757 N ASN A 125 1.489 -12.410 0.854 1.00 1.00 N ATOM 758 CA ASN A 125 0.138 -11.959 1.139 1.00 1.00 C ATOM 759 C ASN A 125 -0.087 -10.593 0.488 1.00 1.00 C ATOM 760 O ASN A 125 0.281 -9.564 1.052 1.00 1.00 O ATOM 761 CB ASN A 125 -0.086 -11.808 2.645 1.00 1.00 C ATOM 762 CG ASN A 125 0.205 -13.119 3.377 1.00 1.00 C ATOM 763 OD1 ASN A 125 -0.593 -14.042 3.393 1.00 1.00 O ATOM 764 ND2 ASN A 125 1.390 -13.149 3.981 1.00 1.00 N ATOM 0 H ASN A 125 2.214 -11.710 1.012 1.00 1.00 H new ATOM 0 HA ASN A 125 -0.556 -12.701 0.744 1.00 1.00 H new ATOM 0 HB2 ASN A 125 0.558 -11.019 3.035 1.00 1.00 H new ATOM 0 HB3 ASN A 125 -1.115 -11.502 2.834 1.00 1.00 H new ATOM 0 HD21 ASN A 125 1.678 -13.980 4.497 1.00 1.00 H new ATOM 0 HD22 ASN A 125 2.010 -12.341 3.928 1.00 1.00 H new ATOM 770 N GLN A 126 -0.692 -10.628 -0.691 1.00 1.00 N ATOM 771 CA GLN A 126 -0.972 -9.405 -1.425 1.00 1.00 C ATOM 772 C GLN A 126 -1.955 -8.530 -0.645 1.00 1.00 C ATOM 773 O GLN A 126 -2.762 -9.039 0.132 1.00 1.00 O ATOM 774 CB GLN A 126 -1.505 -9.715 -2.825 1.00 1.00 C ATOM 775 CG GLN A 126 -2.196 -8.493 -3.432 1.00 1.00 C ATOM 776 CD GLN A 126 -2.767 -8.816 -4.814 1.00 1.00 C ATOM 777 OE1 GLN A 126 -2.056 -9.167 -5.741 1.00 1.00 O ATOM 778 NE2 GLN A 126 -4.086 -8.677 -4.899 1.00 1.00 N ATOM 0 H GLN A 126 -0.996 -11.484 -1.156 1.00 1.00 H new ATOM 0 HA GLN A 126 -0.039 -8.853 -1.541 1.00 1.00 H new ATOM 0 HB2 GLN A 126 -0.684 -10.030 -3.469 1.00 1.00 H new ATOM 0 HB3 GLN A 126 -2.208 -10.547 -2.774 1.00 1.00 H new ATOM 0 HG2 GLN A 126 -2.997 -8.159 -2.773 1.00 1.00 H new ATOM 0 HG3 GLN A 126 -1.485 -7.671 -3.512 1.00 1.00 H new ATOM 0 HE21 GLN A 126 -4.621 -8.379 -4.083 1.00 1.00 H new ATOM 0 HE22 GLN A 126 -4.563 -8.868 -5.780 1.00 1.00 H new ATOM 785 N ILE A 127 -1.854 -7.229 -0.878 1.00 1.00 N ATOM 786 CA ILE A 127 -2.724 -6.280 -0.206 1.00 1.00 C ATOM 787 C ILE A 127 -3.593 -5.567 -1.246 1.00 1.00 C ATOM 788 O ILE A 127 -3.079 -4.846 -2.099 1.00 1.00 O ATOM 789 CB ILE A 127 -1.905 -5.328 0.667 1.00 1.00 C ATOM 790 CG1 ILE A 127 -0.870 -6.094 1.493 1.00 1.00 C ATOM 791 CG2 ILE A 127 -2.817 -4.468 1.545 1.00 1.00 C ATOM 792 CD1 ILE A 127 -1.502 -6.676 2.760 1.00 1.00 C ATOM 0 H ILE A 127 -1.183 -6.811 -1.523 1.00 1.00 H new ATOM 0 HA ILE A 127 -3.400 -6.798 0.475 1.00 1.00 H new ATOM 0 HB ILE A 127 -1.356 -4.651 0.012 1.00 1.00 H new ATOM 0 HG12 ILE A 127 -0.443 -6.898 0.893 1.00 1.00 H new ATOM 0 HG13 ILE A 127 -0.050 -5.428 1.764 1.00 1.00 H new ATOM 0 HG21 ILE A 127 -2.210 -3.800 2.156 1.00 1.00 H new ATOM 0 HG22 ILE A 127 -3.481 -3.878 0.912 1.00 1.00 H new ATOM 0 HG23 ILE A 127 -3.411 -5.112 2.193 1.00 1.00 H new ATOM 0 HD11 ILE A 127 -0.745 -7.216 3.329 1.00 1.00 H new ATOM 0 HD12 ILE A 127 -1.906 -5.868 3.369 1.00 1.00 H new ATOM 0 HD13 ILE A 127 -2.305 -7.360 2.485 1.00 1.00 H new ATOM 803 N GLU A 128 -4.893 -5.796 -1.140 1.00 1.00 N ATOM 804 CA GLU A 128 -5.837 -5.185 -2.061 1.00 1.00 C ATOM 805 C GLU A 128 -6.348 -3.857 -1.494 1.00 1.00 C ATOM 806 O GLU A 128 -6.851 -3.809 -0.373 1.00 1.00 O ATOM 807 CB GLU A 128 -6.998 -6.134 -2.364 1.00 1.00 C ATOM 808 CG GLU A 128 -8.078 -6.043 -1.283 1.00 1.00 C ATOM 809 CD GLU A 128 -8.915 -7.323 -1.236 1.00 1.00 C ATOM 810 OE1 GLU A 128 -9.507 -7.715 -2.254 1.00 1.00 O ATOM 811 OE2 GLU A 128 -8.936 -7.918 -0.092 1.00 1.00 O ATOM 0 H GLU A 128 -5.315 -6.396 -0.431 1.00 1.00 H new ATOM 0 HA GLU A 128 -5.321 -4.983 -3.000 1.00 1.00 H new ATOM 0 HB2 GLU A 128 -7.429 -5.889 -3.335 1.00 1.00 H new ATOM 0 HB3 GLU A 128 -6.628 -7.157 -2.428 1.00 1.00 H new ATOM 0 HG2 GLU A 128 -7.613 -5.873 -0.312 1.00 1.00 H new ATOM 0 HG3 GLU A 128 -8.725 -5.188 -1.481 1.00 1.00 H new ATOM 817 N ALA A 129 -6.199 -2.814 -2.295 1.00 1.00 N ATOM 818 CA ALA A 129 -6.638 -1.489 -1.888 1.00 1.00 C ATOM 819 C ALA A 129 -8.100 -1.556 -1.444 1.00 1.00 C ATOM 820 O ALA A 129 -8.935 -2.145 -2.130 1.00 1.00 O ATOM 821 CB ALA A 129 -6.423 -0.504 -3.038 1.00 1.00 C ATOM 0 H ALA A 129 -5.781 -2.858 -3.224 1.00 1.00 H new ATOM 0 HA ALA A 129 -6.051 -1.134 -1.041 1.00 1.00 H new ATOM 0 HB1 ALA A 129 -6.752 0.489 -2.733 1.00 1.00 H new ATOM 0 HB2 ALA A 129 -5.365 -0.472 -3.297 1.00 1.00 H new ATOM 0 HB3 ALA A 129 -6.999 -0.826 -3.906 1.00 1.00 H new ATOM 827 N ASP A 130 -8.367 -0.945 -0.299 1.00 1.00 N ATOM 828 CA ASP A 130 -9.714 -0.927 0.244 1.00 1.00 C ATOM 829 C ASP A 130 -10.178 0.522 0.401 1.00 1.00 C ATOM 830 O ASP A 130 -11.042 0.816 1.225 1.00 1.00 O ATOM 831 CB ASP A 130 -9.761 -1.590 1.622 1.00 1.00 C ATOM 832 CG ASP A 130 -11.156 -1.997 2.097 1.00 1.00 C ATOM 833 OD1 ASP A 130 -12.003 -1.143 2.400 1.00 1.00 O ATOM 834 OD2 ASP A 130 -11.364 -3.269 2.153 1.00 1.00 O ATOM 0 H ASP A 130 -7.672 -0.458 0.268 1.00 1.00 H new ATOM 0 HA ASP A 130 -10.361 -1.474 -0.442 1.00 1.00 H new ATOM 0 HB2 ASP A 130 -9.127 -2.477 1.604 1.00 1.00 H new ATOM 0 HB3 ASP A 130 -9.330 -0.905 2.353 1.00 1.00 H new ATOM 839 N LYS A 131 -9.582 1.390 -0.404 1.00 1.00 N ATOM 840 CA LYS A 131 -9.924 2.803 -0.365 1.00 1.00 C ATOM 841 C LYS A 131 -9.293 3.508 -1.567 1.00 1.00 C ATOM 842 O LYS A 131 -8.213 4.087 -1.455 1.00 1.00 O ATOM 843 CB LYS A 131 -9.530 3.411 0.982 1.00 1.00 C ATOM 844 CG LYS A 131 -10.219 4.761 1.195 1.00 1.00 C ATOM 845 CD LYS A 131 -9.599 5.514 2.374 1.00 1.00 C ATOM 846 CE LYS A 131 -10.674 6.223 3.199 1.00 1.00 C ATOM 847 NZ LYS A 131 -10.587 7.689 3.011 1.00 1.00 N ATOM 0 H LYS A 131 -8.865 1.143 -1.086 1.00 1.00 H new ATOM 0 HA LYS A 131 -11.003 2.938 -0.446 1.00 1.00 H new ATOM 0 HB2 LYS A 131 -9.802 2.728 1.787 1.00 1.00 H new ATOM 0 HB3 LYS A 131 -8.448 3.539 1.025 1.00 1.00 H new ATOM 0 HG2 LYS A 131 -10.135 5.363 0.290 1.00 1.00 H new ATOM 0 HG3 LYS A 131 -11.282 4.606 1.377 1.00 1.00 H new ATOM 0 HD2 LYS A 131 -9.051 4.817 3.007 1.00 1.00 H new ATOM 0 HD3 LYS A 131 -8.878 6.244 2.005 1.00 1.00 H new ATOM 0 HE2 LYS A 131 -11.661 5.870 2.901 1.00 1.00 H new ATOM 0 HE3 LYS A 131 -10.552 5.978 4.254 1.00 1.00 H new ATOM 0 HZ1 LYS A 131 -11.323 8.156 3.578 1.00 1.00 H new ATOM 0 HZ2 LYS A 131 -9.651 8.023 3.317 1.00 1.00 H new ATOM 0 HZ3 LYS A 131 -10.725 7.919 2.006 1.00 1.00 H new ATOM 856 N SER A 132 -9.993 3.437 -2.689 1.00 1.00 N ATOM 857 CA SER A 132 -9.515 4.062 -3.911 1.00 1.00 C ATOM 858 C SER A 132 -8.872 5.412 -3.590 1.00 1.00 C ATOM 859 O SER A 132 -9.323 6.121 -2.692 1.00 1.00 O ATOM 860 CB SER A 132 -10.651 4.240 -4.919 1.00 1.00 C ATOM 861 OG SER A 132 -11.528 5.301 -4.552 1.00 1.00 O ATOM 0 H SER A 132 -10.888 2.956 -2.778 1.00 1.00 H new ATOM 0 HA SER A 132 -8.767 3.409 -4.360 1.00 1.00 H new ATOM 0 HB2 SER A 132 -10.233 4.440 -5.905 1.00 1.00 H new ATOM 0 HB3 SER A 132 -11.217 3.312 -4.995 1.00 1.00 H new ATOM 0 HG SER A 132 -12.239 5.384 -5.221 1.00 1.00 H new ATOM 866 N GLY A 133 -7.828 5.729 -4.343 1.00 1.00 N ATOM 867 CA GLY A 133 -7.119 6.982 -4.151 1.00 1.00 C ATOM 868 C GLY A 133 -5.831 7.015 -4.975 1.00 1.00 C ATOM 869 O GLY A 133 -5.536 6.075 -5.712 1.00 1.00 O ATOM 0 H GLY A 133 -7.457 5.139 -5.087 1.00 1.00 H new ATOM 0 HA2 GLY A 133 -7.761 7.815 -4.439 1.00 1.00 H new ATOM 0 HA3 GLY A 133 -6.883 7.112 -3.095 1.00 1.00 H new ATOM 873 N THR A 134 -5.097 8.109 -4.825 1.00 1.00 N ATOM 874 CA THR A 134 -3.848 8.276 -5.546 1.00 1.00 C ATOM 875 C THR A 134 -2.658 8.130 -4.595 1.00 1.00 C ATOM 876 O THR A 134 -2.839 7.994 -3.386 1.00 1.00 O ATOM 877 CB THR A 134 -3.891 9.629 -6.259 1.00 1.00 C ATOM 878 OG1 THR A 134 -5.046 9.546 -7.091 1.00 1.00 O ATOM 879 CG2 THR A 134 -2.735 9.809 -7.245 1.00 1.00 C ATOM 0 H THR A 134 -5.344 8.888 -4.214 1.00 1.00 H new ATOM 0 HA THR A 134 -3.720 7.498 -6.299 1.00 1.00 H new ATOM 0 HB THR A 134 -3.865 10.429 -5.520 1.00 1.00 H new ATOM 0 HG1 THR A 134 -5.291 10.443 -7.402 1.00 1.00 H new ATOM 0 HG21 THR A 134 -2.813 10.785 -7.723 1.00 1.00 H new ATOM 0 HG22 THR A 134 -1.787 9.742 -6.711 1.00 1.00 H new ATOM 0 HG23 THR A 134 -2.780 9.028 -8.004 1.00 1.00 H new ATOM 887 N VAL A 135 -1.468 8.161 -5.176 1.00 1.00 N ATOM 888 CA VAL A 135 -0.250 8.033 -4.396 1.00 1.00 C ATOM 889 C VAL A 135 -0.051 9.298 -3.558 1.00 1.00 C ATOM 890 O VAL A 135 -0.301 10.406 -4.031 1.00 1.00 O ATOM 891 CB VAL A 135 0.934 7.736 -5.318 1.00 1.00 C ATOM 892 CG1 VAL A 135 1.339 8.980 -6.109 1.00 1.00 C ATOM 893 CG2 VAL A 135 2.119 7.178 -4.526 1.00 1.00 C ATOM 0 H VAL A 135 -1.322 8.273 -6.179 1.00 1.00 H new ATOM 0 HA VAL A 135 -0.326 7.193 -3.706 1.00 1.00 H new ATOM 0 HB VAL A 135 0.620 6.974 -6.032 1.00 1.00 H new ATOM 0 HG11 VAL A 135 2.183 8.741 -6.756 1.00 1.00 H new ATOM 0 HG12 VAL A 135 0.498 9.314 -6.717 1.00 1.00 H new ATOM 0 HG13 VAL A 135 1.625 9.773 -5.418 1.00 1.00 H new ATOM 0 HG21 VAL A 135 2.947 6.975 -5.205 1.00 1.00 H new ATOM 0 HG22 VAL A 135 2.432 7.907 -3.778 1.00 1.00 H new ATOM 0 HG23 VAL A 135 1.822 6.254 -4.030 1.00 1.00 H new ATOM 903 N LYS A 136 0.397 9.091 -2.328 1.00 1.00 N ATOM 904 CA LYS A 136 0.631 10.201 -1.419 1.00 1.00 C ATOM 905 C LYS A 136 2.093 10.183 -0.968 1.00 1.00 C ATOM 906 O LYS A 136 2.740 11.228 -0.908 1.00 1.00 O ATOM 907 CB LYS A 136 -0.370 10.168 -0.263 1.00 1.00 C ATOM 908 CG LYS A 136 -0.497 11.545 0.391 1.00 1.00 C ATOM 909 CD LYS A 136 -1.389 11.482 1.632 1.00 1.00 C ATOM 910 CE LYS A 136 -0.680 12.080 2.849 1.00 1.00 C ATOM 911 NZ LYS A 136 -1.226 11.508 4.100 1.00 1.00 N ATOM 0 H LYS A 136 0.604 8.171 -1.940 1.00 1.00 H new ATOM 0 HA LYS A 136 0.464 11.151 -1.926 1.00 1.00 H new ATOM 0 HB2 LYS A 136 -1.344 9.844 -0.630 1.00 1.00 H new ATOM 0 HB3 LYS A 136 -0.050 9.437 0.479 1.00 1.00 H new ATOM 0 HG2 LYS A 136 0.491 11.913 0.667 1.00 1.00 H new ATOM 0 HG3 LYS A 136 -0.913 12.254 -0.324 1.00 1.00 H new ATOM 0 HD2 LYS A 136 -2.317 12.023 1.445 1.00 1.00 H new ATOM 0 HD3 LYS A 136 -1.660 10.446 1.837 1.00 1.00 H new ATOM 0 HE2 LYS A 136 0.390 11.881 2.788 1.00 1.00 H new ATOM 0 HE3 LYS A 136 -0.803 13.163 2.853 1.00 1.00 H new ATOM 0 HZ1 LYS A 136 -1.797 12.226 4.590 1.00 1.00 H new ATOM 0 HZ2 LYS A 136 -1.822 10.686 3.875 1.00 1.00 H new ATOM 0 HZ3 LYS A 136 -0.443 11.210 4.716 1.00 1.00 H new ATOM 920 N ALA A 137 2.571 8.986 -0.663 1.00 1.00 N ATOM 921 CA ALA A 137 3.944 8.820 -0.219 1.00 1.00 C ATOM 922 C ALA A 137 4.106 7.438 0.417 1.00 1.00 C ATOM 923 O ALA A 137 3.251 7.001 1.187 1.00 1.00 O ATOM 924 CB ALA A 137 4.311 9.951 0.743 1.00 1.00 C ATOM 0 H ALA A 137 2.032 8.122 -0.715 1.00 1.00 H new ATOM 0 HA ALA A 137 4.630 8.877 -1.064 1.00 1.00 H new ATOM 0 HB1 ALA A 137 5.341 9.826 1.076 1.00 1.00 H new ATOM 0 HB2 ALA A 137 4.208 10.909 0.234 1.00 1.00 H new ATOM 0 HB3 ALA A 137 3.645 9.925 1.606 1.00 1.00 H new ATOM 930 N ILE A 138 5.208 6.788 0.073 1.00 1.00 N ATOM 931 CA ILE A 138 5.493 5.464 0.601 1.00 1.00 C ATOM 932 C ILE A 138 6.551 5.576 1.701 1.00 1.00 C ATOM 933 O ILE A 138 7.571 6.239 1.521 1.00 1.00 O ATOM 934 CB ILE A 138 5.878 4.508 -0.529 1.00 1.00 C ATOM 935 CG1 ILE A 138 5.201 4.909 -1.841 1.00 1.00 C ATOM 936 CG2 ILE A 138 5.574 3.058 -0.146 1.00 1.00 C ATOM 937 CD1 ILE A 138 6.022 5.968 -2.579 1.00 1.00 C ATOM 0 H ILE A 138 5.915 7.154 -0.565 1.00 1.00 H new ATOM 0 HA ILE A 138 4.601 5.036 1.059 1.00 1.00 H new ATOM 0 HB ILE A 138 6.954 4.581 -0.688 1.00 1.00 H new ATOM 0 HG12 ILE A 138 5.079 4.031 -2.475 1.00 1.00 H new ATOM 0 HG13 ILE A 138 4.202 5.295 -1.636 1.00 1.00 H new ATOM 0 HG21 ILE A 138 5.857 2.398 -0.966 1.00 1.00 H new ATOM 0 HG22 ILE A 138 6.140 2.791 0.746 1.00 1.00 H new ATOM 0 HG23 ILE A 138 4.508 2.951 0.055 1.00 1.00 H new ATOM 0 HD11 ILE A 138 5.519 6.236 -3.508 1.00 1.00 H new ATOM 0 HD12 ILE A 138 6.121 6.854 -1.952 1.00 1.00 H new ATOM 0 HD13 ILE A 138 7.012 5.570 -2.804 1.00 1.00 H new ATOM 948 N LEU A 139 6.272 4.916 2.815 1.00 1.00 N ATOM 949 CA LEU A 139 7.187 4.932 3.944 1.00 1.00 C ATOM 950 C LEU A 139 7.975 3.621 3.975 1.00 1.00 C ATOM 951 O LEU A 139 9.193 3.629 4.146 1.00 1.00 O ATOM 952 CB LEU A 139 6.432 5.228 5.242 1.00 1.00 C ATOM 953 CG LEU A 139 5.030 5.817 5.083 1.00 1.00 C ATOM 954 CD1 LEU A 139 4.308 5.886 6.430 1.00 1.00 C ATOM 955 CD2 LEU A 139 5.084 7.181 4.392 1.00 1.00 C ATOM 0 H LEU A 139 5.425 4.366 2.960 1.00 1.00 H new ATOM 0 HA LEU A 139 7.913 5.738 3.835 1.00 1.00 H new ATOM 0 HB2 LEU A 139 6.353 4.302 5.812 1.00 1.00 H new ATOM 0 HB3 LEU A 139 7.029 5.919 5.837 1.00 1.00 H new ATOM 0 HG LEU A 139 4.451 5.153 4.441 1.00 1.00 H new ATOM 0 HD11 LEU A 139 3.313 6.309 6.288 1.00 1.00 H new ATOM 0 HD12 LEU A 139 4.220 4.883 6.847 1.00 1.00 H new ATOM 0 HD13 LEU A 139 4.876 6.516 7.115 1.00 1.00 H new ATOM 0 HD21 LEU A 139 4.074 7.578 4.291 1.00 1.00 H new ATOM 0 HD22 LEU A 139 5.686 7.867 4.988 1.00 1.00 H new ATOM 0 HD23 LEU A 139 5.531 7.071 3.404 1.00 1.00 H new ATOM 966 N VAL A 140 7.247 2.527 3.808 1.00 1.00 N ATOM 967 CA VAL A 140 7.863 1.211 3.815 1.00 1.00 C ATOM 968 C VAL A 140 8.701 1.038 2.546 1.00 1.00 C ATOM 969 O VAL A 140 8.413 1.650 1.519 1.00 1.00 O ATOM 970 CB VAL A 140 6.790 0.131 3.974 1.00 1.00 C ATOM 971 CG1 VAL A 140 5.829 0.134 2.783 1.00 1.00 C ATOM 972 CG2 VAL A 140 7.423 -1.248 4.164 1.00 1.00 C ATOM 0 H VAL A 140 6.237 2.525 3.667 1.00 1.00 H new ATOM 0 HA VAL A 140 8.536 1.109 4.666 1.00 1.00 H new ATOM 0 HB VAL A 140 6.214 0.361 4.870 1.00 1.00 H new ATOM 0 HG11 VAL A 140 5.077 -0.642 2.921 1.00 1.00 H new ATOM 0 HG12 VAL A 140 5.339 1.105 2.713 1.00 1.00 H new ATOM 0 HG13 VAL A 140 6.386 -0.059 1.866 1.00 1.00 H new ATOM 0 HG21 VAL A 140 6.638 -1.996 4.274 1.00 1.00 H new ATOM 0 HG22 VAL A 140 8.036 -1.490 3.295 1.00 1.00 H new ATOM 0 HG23 VAL A 140 8.047 -1.242 5.058 1.00 1.00 H new ATOM 982 N GLU A 141 9.722 0.201 2.660 1.00 1.00 N ATOM 983 CA GLU A 141 10.603 -0.060 1.535 1.00 1.00 C ATOM 984 C GLU A 141 10.484 -1.520 1.093 1.00 1.00 C ATOM 985 O GLU A 141 10.423 -2.422 1.928 1.00 1.00 O ATOM 986 CB GLU A 141 12.052 0.290 1.881 1.00 1.00 C ATOM 987 CG GLU A 141 12.946 0.218 0.640 1.00 1.00 C ATOM 988 CD GLU A 141 14.419 0.389 1.015 1.00 1.00 C ATOM 989 OE1 GLU A 141 15.212 -0.550 0.858 1.00 1.00 O ATOM 990 OE2 GLU A 141 14.731 1.551 1.485 1.00 1.00 O ATOM 0 H GLU A 141 9.958 -0.305 3.514 1.00 1.00 H new ATOM 0 HA GLU A 141 10.297 0.577 0.705 1.00 1.00 H new ATOM 0 HB2 GLU A 141 12.096 1.292 2.307 1.00 1.00 H new ATOM 0 HB3 GLU A 141 12.424 -0.396 2.642 1.00 1.00 H new ATOM 0 HG2 GLU A 141 12.803 -0.740 0.140 1.00 1.00 H new ATOM 0 HG3 GLU A 141 12.655 0.994 -0.068 1.00 1.00 H new ATOM 996 N SER A 142 10.452 -1.709 -0.217 1.00 1.00 N ATOM 997 CA SER A 142 10.340 -3.044 -0.779 1.00 1.00 C ATOM 998 C SER A 142 11.352 -3.979 -0.112 1.00 1.00 C ATOM 999 O SER A 142 12.510 -4.038 -0.520 1.00 1.00 O ATOM 1000 CB SER A 142 10.555 -3.023 -2.294 1.00 1.00 C ATOM 1001 OG SER A 142 11.127 -4.239 -2.769 1.00 1.00 O ATOM 0 H SER A 142 10.502 -0.959 -0.907 1.00 1.00 H new ATOM 0 HA SER A 142 9.332 -3.413 -0.587 1.00 1.00 H new ATOM 0 HB2 SER A 142 9.601 -2.852 -2.793 1.00 1.00 H new ATOM 0 HB3 SER A 142 11.206 -2.189 -2.556 1.00 1.00 H new ATOM 0 HG SER A 142 12.016 -4.358 -2.375 1.00 1.00 H new ATOM 1006 N GLY A 143 10.875 -4.686 0.902 1.00 1.00 N ATOM 1007 CA GLY A 143 11.723 -5.615 1.629 1.00 1.00 C ATOM 1008 C GLY A 143 11.661 -5.349 3.134 1.00 1.00 C ATOM 1009 O GLY A 143 11.783 -6.274 3.937 1.00 1.00 O ATOM 0 H GLY A 143 9.913 -4.634 1.237 1.00 1.00 H new ATOM 0 HA2 GLY A 143 11.408 -6.638 1.423 1.00 1.00 H new ATOM 0 HA3 GLY A 143 12.752 -5.522 1.282 1.00 1.00 H new ATOM 1013 N GLN A 144 11.474 -4.082 3.473 1.00 1.00 N ATOM 1014 CA GLN A 144 11.396 -3.684 4.867 1.00 1.00 C ATOM 1015 C GLN A 144 10.343 -4.518 5.599 1.00 1.00 C ATOM 1016 O GLN A 144 9.364 -4.955 4.998 1.00 1.00 O ATOM 1017 CB GLN A 144 11.096 -2.188 4.994 1.00 1.00 C ATOM 1018 CG GLN A 144 12.052 -1.519 5.983 1.00 1.00 C ATOM 1019 CD GLN A 144 12.598 -0.207 5.416 1.00 1.00 C ATOM 1020 OE1 GLN A 144 11.867 0.725 5.123 1.00 1.00 O ATOM 1021 NE2 GLN A 144 13.921 -0.186 5.278 1.00 1.00 N ATOM 0 H GLN A 144 11.374 -3.318 2.805 1.00 1.00 H new ATOM 0 HA GLN A 144 12.365 -3.868 5.332 1.00 1.00 H new ATOM 0 HB2 GLN A 144 11.185 -1.711 4.018 1.00 1.00 H new ATOM 0 HB3 GLN A 144 10.067 -2.047 5.325 1.00 1.00 H new ATOM 0 HG2 GLN A 144 11.533 -1.325 6.922 1.00 1.00 H new ATOM 0 HG3 GLN A 144 12.878 -2.193 6.209 1.00 1.00 H new ATOM 0 HE21 GLN A 144 14.474 -1.001 5.543 1.00 1.00 H new ATOM 0 HE22 GLN A 144 14.382 0.645 4.908 1.00 1.00 H new ATOM 1028 N PRO A 145 10.586 -4.717 6.923 1.00 1.00 N ATOM 1029 CA PRO A 145 9.671 -5.491 7.743 1.00 1.00 C ATOM 1030 C PRO A 145 8.408 -4.689 8.062 1.00 1.00 C ATOM 1031 O PRO A 145 8.357 -3.483 7.822 1.00 1.00 O ATOM 1032 CB PRO A 145 10.470 -5.859 8.984 1.00 1.00 C ATOM 1033 CG PRO A 145 11.643 -4.894 9.026 1.00 1.00 C ATOM 1034 CD PRO A 145 11.736 -4.214 7.669 1.00 1.00 C ATOM 0 HA PRO A 145 9.309 -6.387 7.238 1.00 1.00 H new ATOM 0 HB2 PRO A 145 9.859 -5.770 9.882 1.00 1.00 H new ATOM 0 HB3 PRO A 145 10.815 -6.892 8.934 1.00 1.00 H new ATOM 0 HG2 PRO A 145 11.501 -4.155 9.814 1.00 1.00 H new ATOM 0 HG3 PRO A 145 12.567 -5.426 9.250 1.00 1.00 H new ATOM 0 HD2 PRO A 145 11.701 -3.129 7.767 1.00 1.00 H new ATOM 0 HD3 PRO A 145 12.672 -4.459 7.167 1.00 1.00 H new ATOM 1039 N VAL A 146 7.419 -5.389 8.598 1.00 1.00 N ATOM 1040 CA VAL A 146 6.160 -4.757 8.952 1.00 1.00 C ATOM 1041 C VAL A 146 5.737 -5.219 10.347 1.00 1.00 C ATOM 1042 O VAL A 146 6.203 -6.248 10.833 1.00 1.00 O ATOM 1043 CB VAL A 146 5.108 -5.050 7.880 1.00 1.00 C ATOM 1044 CG1 VAL A 146 5.727 -5.024 6.482 1.00 1.00 C ATOM 1045 CG2 VAL A 146 4.412 -6.387 8.147 1.00 1.00 C ATOM 0 H VAL A 146 7.464 -6.389 8.796 1.00 1.00 H new ATOM 0 HA VAL A 146 6.274 -3.674 8.989 1.00 1.00 H new ATOM 0 HB VAL A 146 4.354 -4.264 7.926 1.00 1.00 H new ATOM 0 HG11 VAL A 146 4.958 -5.235 5.739 1.00 1.00 H new ATOM 0 HG12 VAL A 146 6.154 -4.040 6.292 1.00 1.00 H new ATOM 0 HG13 VAL A 146 6.511 -5.779 6.417 1.00 1.00 H new ATOM 0 HG21 VAL A 146 3.669 -6.572 7.371 1.00 1.00 H new ATOM 0 HG22 VAL A 146 5.150 -7.189 8.141 1.00 1.00 H new ATOM 0 HG23 VAL A 146 3.920 -6.354 9.119 1.00 1.00 H new ATOM 1055 N GLU A 147 4.857 -4.436 10.954 1.00 1.00 N ATOM 1056 CA GLU A 147 4.366 -4.751 12.284 1.00 1.00 C ATOM 1057 C GLU A 147 2.894 -4.351 12.416 1.00 1.00 C ATOM 1058 O GLU A 147 2.398 -3.538 11.639 1.00 1.00 O ATOM 1059 CB GLU A 147 5.217 -4.071 13.359 1.00 1.00 C ATOM 1060 CG GLU A 147 6.701 -4.392 13.167 1.00 1.00 C ATOM 1061 CD GLU A 147 7.463 -4.274 14.488 1.00 1.00 C ATOM 1062 OE1 GLU A 147 8.235 -3.321 14.675 1.00 1.00 O ATOM 1063 OE2 GLU A 147 7.228 -5.214 15.339 1.00 1.00 O ATOM 0 H GLU A 147 4.471 -3.583 10.548 1.00 1.00 H new ATOM 0 HA GLU A 147 4.445 -5.828 12.432 1.00 1.00 H new ATOM 0 HB2 GLU A 147 5.066 -2.992 13.319 1.00 1.00 H new ATOM 0 HB3 GLU A 147 4.894 -4.401 14.346 1.00 1.00 H new ATOM 0 HG2 GLU A 147 6.810 -5.401 12.769 1.00 1.00 H new ATOM 0 HG3 GLU A 147 7.132 -3.712 12.433 1.00 1.00 H new ATOM 1069 N PHE A 148 2.240 -4.942 13.404 1.00 1.00 N ATOM 1070 CA PHE A 148 0.837 -4.658 13.648 1.00 1.00 C ATOM 1071 C PHE A 148 0.636 -3.197 14.057 1.00 1.00 C ATOM 1072 O PHE A 148 1.258 -2.724 15.008 1.00 1.00 O ATOM 1073 CB PHE A 148 0.389 -5.563 14.797 1.00 1.00 C ATOM 1074 CG PHE A 148 -1.113 -5.509 15.084 1.00 1.00 C ATOM 1075 CD1 PHE A 148 -1.636 -4.461 15.775 1.00 1.00 C ATOM 1076 CD2 PHE A 148 -1.925 -6.509 14.646 1.00 1.00 C ATOM 1077 CE1 PHE A 148 -3.031 -4.412 16.041 1.00 1.00 C ATOM 1078 CE2 PHE A 148 -3.319 -6.459 14.912 1.00 1.00 C ATOM 1079 CZ PHE A 148 -3.842 -5.411 15.603 1.00 1.00 C ATOM 0 H PHE A 148 2.656 -5.617 14.046 1.00 1.00 H new ATOM 0 HA PHE A 148 0.259 -4.837 12.741 1.00 1.00 H new ATOM 0 HB2 PHE A 148 0.667 -6.591 14.565 1.00 1.00 H new ATOM 0 HB3 PHE A 148 0.931 -5.282 15.700 1.00 1.00 H new ATOM 0 HD1 PHE A 148 -0.992 -3.667 16.121 1.00 1.00 H new ATOM 0 HD2 PHE A 148 -1.509 -7.341 14.096 1.00 1.00 H new ATOM 0 HE1 PHE A 148 -3.447 -3.581 16.591 1.00 1.00 H new ATOM 0 HE2 PHE A 148 -3.964 -7.253 14.566 1.00 1.00 H new ATOM 0 HZ PHE A 148 -4.902 -5.372 15.804 1.00 1.00 H new ATOM 1088 N ASP A 149 -0.235 -2.523 13.320 1.00 1.00 N ATOM 1089 CA ASP A 149 -0.525 -1.126 13.594 1.00 1.00 C ATOM 1090 C ASP A 149 0.582 -0.253 12.999 1.00 1.00 C ATOM 1091 O ASP A 149 0.654 0.942 13.281 1.00 1.00 O ATOM 1092 CB ASP A 149 -0.579 -0.860 15.099 1.00 1.00 C ATOM 1093 CG ASP A 149 -1.389 0.372 15.510 1.00 1.00 C ATOM 1094 OD1 ASP A 149 -2.288 0.816 14.782 1.00 1.00 O ATOM 1095 OD2 ASP A 149 -1.059 0.887 16.646 1.00 1.00 O ATOM 0 H ASP A 149 -0.749 -2.919 12.533 1.00 1.00 H new ATOM 0 HA ASP A 149 -1.492 -0.889 13.151 1.00 1.00 H new ATOM 0 HB2 ASP A 149 -1.002 -1.735 15.592 1.00 1.00 H new ATOM 0 HB3 ASP A 149 0.440 -0.746 15.469 1.00 1.00 H new ATOM 1100 N GLU A 150 1.417 -0.885 12.187 1.00 1.00 N ATOM 1101 CA GLU A 150 2.516 -0.180 11.550 1.00 1.00 C ATOM 1102 C GLU A 150 2.091 0.336 10.174 1.00 1.00 C ATOM 1103 O GLU A 150 1.333 -0.327 9.467 1.00 1.00 O ATOM 1104 CB GLU A 150 3.752 -1.076 11.441 1.00 1.00 C ATOM 1105 CG GLU A 150 5.036 -0.266 11.625 1.00 1.00 C ATOM 1106 CD GLU A 150 6.131 -1.111 12.279 1.00 1.00 C ATOM 1107 OE1 GLU A 150 6.237 -1.141 13.514 1.00 1.00 O ATOM 1108 OE2 GLU A 150 6.886 -1.756 11.455 1.00 1.00 O ATOM 0 H GLU A 150 1.355 -1.877 11.956 1.00 1.00 H new ATOM 0 HA GLU A 150 2.781 0.676 12.171 1.00 1.00 H new ATOM 0 HB2 GLU A 150 3.703 -1.862 12.195 1.00 1.00 H new ATOM 0 HB3 GLU A 150 3.764 -1.567 10.468 1.00 1.00 H new ATOM 0 HG2 GLU A 150 5.382 0.098 10.657 1.00 1.00 H new ATOM 0 HG3 GLU A 150 4.832 0.610 12.241 1.00 1.00 H new ATOM 1114 N PRO A 151 2.610 1.544 9.827 1.00 1.00 N ATOM 1115 CA PRO A 151 2.291 2.156 8.549 1.00 1.00 C ATOM 1116 C PRO A 151 3.043 1.467 7.409 1.00 1.00 C ATOM 1117 O PRO A 151 4.005 0.738 7.645 1.00 1.00 O ATOM 1118 CB PRO A 151 2.666 3.620 8.708 1.00 1.00 C ATOM 1119 CG PRO A 151 3.608 3.681 9.901 1.00 1.00 C ATOM 1120 CD PRO A 151 3.510 2.356 10.640 1.00 1.00 C ATOM 0 HA PRO A 151 1.238 2.055 8.286 1.00 1.00 H new ATOM 0 HB2 PRO A 151 3.150 3.999 7.808 1.00 1.00 H new ATOM 0 HB3 PRO A 151 1.781 4.234 8.877 1.00 1.00 H new ATOM 0 HG2 PRO A 151 4.631 3.859 9.571 1.00 1.00 H new ATOM 0 HG3 PRO A 151 3.337 4.506 10.559 1.00 1.00 H new ATOM 0 HD2 PRO A 151 4.488 1.885 10.739 1.00 1.00 H new ATOM 0 HD3 PRO A 151 3.118 2.493 11.648 1.00 1.00 H new ATOM 1125 N LEU A 152 2.576 1.723 6.195 1.00 1.00 N ATOM 1126 CA LEU A 152 3.192 1.136 5.017 1.00 1.00 C ATOM 1127 C LEU A 152 3.319 2.203 3.928 1.00 1.00 C ATOM 1128 O LEU A 152 4.389 2.783 3.744 1.00 1.00 O ATOM 1129 CB LEU A 152 2.420 -0.108 4.571 1.00 1.00 C ATOM 1130 CG LEU A 152 2.360 -1.256 5.581 1.00 1.00 C ATOM 1131 CD1 LEU A 152 1.394 -2.347 5.111 1.00 1.00 C ATOM 1132 CD2 LEU A 152 3.756 -1.810 5.866 1.00 1.00 C ATOM 0 H LEU A 152 1.778 2.329 6.002 1.00 1.00 H new ATOM 0 HA LEU A 152 4.200 0.792 5.247 1.00 1.00 H new ATOM 0 HB2 LEU A 152 1.400 0.189 4.327 1.00 1.00 H new ATOM 0 HB3 LEU A 152 2.871 -0.482 3.652 1.00 1.00 H new ATOM 0 HG LEU A 152 1.973 -0.865 6.522 1.00 1.00 H new ATOM 0 HD11 LEU A 152 1.369 -3.152 5.846 1.00 1.00 H new ATOM 0 HD12 LEU A 152 0.395 -1.925 5.000 1.00 1.00 H new ATOM 0 HD13 LEU A 152 1.730 -2.742 4.152 1.00 1.00 H new ATOM 0 HD21 LEU A 152 3.684 -2.624 6.587 1.00 1.00 H new ATOM 0 HD22 LEU A 152 4.196 -2.182 4.941 1.00 1.00 H new ATOM 0 HD23 LEU A 152 4.385 -1.019 6.274 1.00 1.00 H new ATOM 1143 N VAL A 153 2.213 2.432 3.235 1.00 1.00 N ATOM 1144 CA VAL A 153 2.188 3.420 2.171 1.00 1.00 C ATOM 1145 C VAL A 153 1.057 4.417 2.432 1.00 1.00 C ATOM 1146 O VAL A 153 0.011 4.049 2.965 1.00 1.00 O ATOM 1147 CB VAL A 153 2.068 2.723 0.814 1.00 1.00 C ATOM 1148 CG1 VAL A 153 2.304 3.708 -0.332 1.00 1.00 C ATOM 1149 CG2 VAL A 153 3.027 1.534 0.721 1.00 1.00 C ATOM 0 H VAL A 153 1.328 1.950 3.390 1.00 1.00 H new ATOM 0 HA VAL A 153 3.120 3.984 2.152 1.00 1.00 H new ATOM 0 HB VAL A 153 1.051 2.341 0.723 1.00 1.00 H new ATOM 0 HG11 VAL A 153 2.213 3.186 -1.285 1.00 1.00 H new ATOM 0 HG12 VAL A 153 1.564 4.507 -0.283 1.00 1.00 H new ATOM 0 HG13 VAL A 153 3.304 4.134 -0.246 1.00 1.00 H new ATOM 0 HG21 VAL A 153 2.921 1.057 -0.253 1.00 1.00 H new ATOM 0 HG22 VAL A 153 4.052 1.883 0.845 1.00 1.00 H new ATOM 0 HG23 VAL A 153 2.791 0.814 1.505 1.00 1.00 H new ATOM 1159 N VAL A 154 1.306 5.659 2.045 1.00 1.00 N ATOM 1160 CA VAL A 154 0.322 6.711 2.231 1.00 1.00 C ATOM 1161 C VAL A 154 -0.366 7.003 0.896 1.00 1.00 C ATOM 1162 O VAL A 154 0.294 7.343 -0.085 1.00 1.00 O ATOM 1163 CB VAL A 154 0.987 7.947 2.843 1.00 1.00 C ATOM 1164 CG1 VAL A 154 -0.023 9.083 3.018 1.00 1.00 C ATOM 1165 CG2 VAL A 154 1.661 7.604 4.173 1.00 1.00 C ATOM 0 H VAL A 154 2.175 5.960 1.604 1.00 1.00 H new ATOM 0 HA VAL A 154 -0.450 6.392 2.931 1.00 1.00 H new ATOM 0 HB VAL A 154 1.759 8.288 2.153 1.00 1.00 H new ATOM 0 HG11 VAL A 154 0.475 9.949 3.454 1.00 1.00 H new ATOM 0 HG12 VAL A 154 -0.438 9.354 2.047 1.00 1.00 H new ATOM 0 HG13 VAL A 154 -0.827 8.757 3.677 1.00 1.00 H new ATOM 0 HG21 VAL A 154 2.126 8.499 4.587 1.00 1.00 H new ATOM 0 HG22 VAL A 154 0.915 7.226 4.872 1.00 1.00 H new ATOM 0 HG23 VAL A 154 2.423 6.842 4.009 1.00 1.00 H new ATOM 1175 N ILE A 155 -1.683 6.860 0.902 1.00 1.00 N ATOM 1176 CA ILE A 155 -2.468 7.104 -0.297 1.00 1.00 C ATOM 1177 C ILE A 155 -3.286 8.384 -0.114 1.00 1.00 C ATOM 1178 O ILE A 155 -3.576 8.784 1.012 1.00 1.00 O ATOM 1179 CB ILE A 155 -3.315 5.876 -0.641 1.00 1.00 C ATOM 1180 CG1 ILE A 155 -2.489 4.836 -1.399 1.00 1.00 C ATOM 1181 CG2 ILE A 155 -4.576 6.279 -1.409 1.00 1.00 C ATOM 1182 CD1 ILE A 155 -1.790 3.879 -0.431 1.00 1.00 C ATOM 0 H ILE A 155 -2.227 6.578 1.718 1.00 1.00 H new ATOM 0 HA ILE A 155 -1.815 7.263 -1.155 1.00 1.00 H new ATOM 0 HB ILE A 155 -3.640 5.412 0.290 1.00 1.00 H new ATOM 0 HG12 ILE A 155 -3.136 4.271 -2.070 1.00 1.00 H new ATOM 0 HG13 ILE A 155 -1.747 5.338 -2.019 1.00 1.00 H new ATOM 0 HG21 ILE A 155 -5.160 5.389 -1.642 1.00 1.00 H new ATOM 0 HG22 ILE A 155 -5.173 6.956 -0.798 1.00 1.00 H new ATOM 0 HG23 ILE A 155 -4.294 6.780 -2.335 1.00 1.00 H new ATOM 0 HD11 ILE A 155 -1.210 3.150 -0.996 1.00 1.00 H new ATOM 0 HD12 ILE A 155 -1.125 4.444 0.223 1.00 1.00 H new ATOM 0 HD13 ILE A 155 -2.537 3.361 0.171 1.00 1.00 H new ATOM 1193 N GLU A 156 -3.632 8.991 -1.240 1.00 1.00 N ATOM 1194 CA GLU A 156 -4.410 10.218 -1.219 1.00 1.00 C ATOM 1195 C GLU A 156 -4.587 10.760 -2.639 1.00 1.00 C ATOM 1196 O GLU A 156 -3.715 11.459 -3.153 1.00 1.00 O ATOM 1197 CB GLU A 156 -3.761 11.263 -0.310 1.00 1.00 C ATOM 1198 CG GLU A 156 -4.425 12.631 -0.485 1.00 1.00 C ATOM 1199 CD GLU A 156 -3.421 13.668 -0.991 1.00 1.00 C ATOM 1200 OE1 GLU A 156 -3.102 13.688 -2.190 1.00 1.00 O ATOM 1201 OE2 GLU A 156 -2.967 14.473 -0.091 1.00 1.00 O ATOM 0 H GLU A 156 -3.388 8.656 -2.172 1.00 1.00 H new ATOM 0 HA GLU A 156 -5.396 9.993 -0.812 1.00 1.00 H new ATOM 0 HB2 GLU A 156 -3.842 10.946 0.730 1.00 1.00 H new ATOM 0 HB3 GLU A 156 -2.698 11.339 -0.538 1.00 1.00 H new ATOM 0 HG2 GLU A 156 -5.254 12.549 -1.188 1.00 1.00 H new ATOM 0 HG3 GLU A 156 -4.844 12.960 0.466 1.00 1.00 H new