USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 591 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 110 ASN : amide:sc= -4.62! C(o=-4.6!,f=-5.6!) USER MOD Set 1.2: A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 81 HIS :FLIP no HD1:sc= -1.22 F(o=-5.7!,f=-1.2) USER MOD Single : A 85 SER OG : rot -105:sc= -1.48! USER MOD Single : A 87 MET CE :methyl 154:sc= -0.534 (180deg=-1.81!) USER MOD Single : A 90 THR OG1 : rot 52:sc= -1.73! USER MOD Single : A 92 TYR OH : rot -162:sc= 0.0155 USER MOD Single : A 94 THR OG1 : rot 41:sc= 0.496 USER MOD Single : A 96 SER OG : rot 180:sc= -0.869 USER MOD Single : A 100 LYS NZ :NH3+ -143:sc= -0.623 (180deg=-1.45!) USER MOD Single : A 107 GLN : amide:sc= -1.35 K(o=-1.4,f=-8.2!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.041 USER MOD Single : A 116 CYS SG : rot 150:sc= -2.97! USER MOD Single : A 121 MET CE :methyl -152:sc= -0.745 (180deg=-2.02!) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= -0.19 K(o=-0.19,f=-2.5!) USER MOD Single : A 126 GLN : amide:sc= 0.301 K(o=0.3,f=-4.6!) USER MOD Single : A 131 LYS NZ :NH3+ -124:sc= -1.06 (180deg=-2.56!) USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ 153:sc=-0.00331 (180deg=-0.954) USER MOD Single : A 142 SER OG : rot 180:sc= 0.00253 USER MOD Single : A 144 GLN : amide:sc= -3.28! C(o=-3.3!,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 66 N GLY A 80 -9.871 11.552 -2.925 1.00 0.00 N ATOM 67 CA GLY A 80 -9.291 10.223 -2.979 1.00 0.00 C ATOM 68 C GLY A 80 -8.704 9.791 -1.649 1.00 0.00 C ATOM 69 O GLY A 80 -9.254 10.100 -0.591 1.00 0.00 O ATOM 0 HA2 GLY A 80 -10.056 9.509 -3.284 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.512 10.201 -3.741 1.00 0.00 H new ATOM 73 N HIS A 81 -7.585 9.077 -1.702 1.00 0.00 N ATOM 74 CA HIS A 81 -6.922 8.604 -0.493 1.00 0.00 C ATOM 75 C HIS A 81 -5.784 7.651 -0.833 1.00 0.00 C ATOM 76 O HIS A 81 -5.954 6.432 -0.816 1.00 0.00 O ATOM 77 CB HIS A 81 -7.923 7.899 0.425 1.00 0.00 C ATOM 78 CG HIS A 81 -7.279 7.199 1.583 1.00 0.00 C ATOM 79 ND1 HIS A 81 -6.658 5.996 1.661 1.00 0.00 N flip ATOM 80 CD2 HIS A 81 -7.225 7.738 2.851 1.00 0.00 C flip ATOM 81 CE1 HIS A 81 -6.246 5.836 2.961 1.00 0.00 C flip ATOM 82 NE2 HIS A 81 -6.599 6.900 3.658 1.00 0.00 N flip ATOM 0 H HIS A 81 -7.118 8.813 -2.570 1.00 0.00 H new ATOM 0 HA HIS A 81 -6.510 9.472 0.022 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -8.636 8.632 0.804 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -8.491 7.174 -0.158 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -7.631 8.696 3.140 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -5.718 4.978 3.350 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -6.419 7.050 4.651 1.00 0.00 H new ATOM 91 N ILE A 82 -4.620 8.211 -1.140 1.00 0.00 N ATOM 92 CA ILE A 82 -3.458 7.403 -1.477 1.00 0.00 C ATOM 93 C ILE A 82 -2.512 7.289 -0.293 1.00 0.00 C ATOM 94 O ILE A 82 -2.387 8.213 0.510 1.00 0.00 O ATOM 95 CB ILE A 82 -2.688 7.982 -2.678 1.00 0.00 C ATOM 96 CG1 ILE A 82 -3.665 8.446 -3.755 1.00 0.00 C ATOM 97 CG2 ILE A 82 -1.729 6.942 -3.239 1.00 0.00 C ATOM 98 CD1 ILE A 82 -2.989 8.939 -5.015 1.00 0.00 C ATOM 0 H ILE A 82 -4.457 9.218 -1.162 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.832 6.414 -1.743 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.108 8.842 -2.343 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.331 7.621 -4.009 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -4.287 9.245 -3.350 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.191 7.364 -4.088 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.017 6.649 -2.467 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.291 6.067 -3.565 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.745 9.252 -5.735 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.344 9.785 -4.775 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.390 8.136 -5.444 1.00 0.00 H new ATOM 110 N VAL A 83 -1.848 6.148 -0.191 1.00 0.00 N ATOM 111 CA VAL A 83 -0.909 5.907 0.896 1.00 0.00 C ATOM 112 C VAL A 83 0.510 6.282 0.485 1.00 0.00 C ATOM 113 O VAL A 83 1.457 5.536 0.733 1.00 0.00 O ATOM 114 CB VAL A 83 -0.928 4.434 1.345 1.00 0.00 C ATOM 115 CG1 VAL A 83 -0.272 4.283 2.710 1.00 0.00 C ATOM 116 CG2 VAL A 83 -2.353 3.903 1.371 1.00 0.00 C ATOM 0 H VAL A 83 -1.941 5.373 -0.848 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.224 6.534 1.730 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.357 3.847 0.626 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.295 3.236 3.011 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.762 4.623 2.656 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.813 4.883 3.442 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.347 2.861 1.690 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.948 4.493 2.068 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.786 3.974 0.373 1.00 0.00 H new ATOM 126 N ARG A 84 0.647 7.445 -0.147 1.00 0.00 N ATOM 127 CA ARG A 84 1.948 7.927 -0.597 1.00 0.00 C ATOM 128 C ARG A 84 3.046 7.513 0.378 1.00 0.00 C ATOM 129 O ARG A 84 2.947 7.757 1.580 1.00 0.00 O ATOM 130 CB ARG A 84 1.929 9.449 -0.747 1.00 0.00 C ATOM 131 CG ARG A 84 0.781 10.120 -0.009 1.00 0.00 C ATOM 132 CD ARG A 84 -0.358 10.471 -0.953 1.00 0.00 C ATOM 133 NE ARG A 84 -0.399 11.898 -1.255 1.00 0.00 N ATOM 134 CZ ARG A 84 -1.448 12.506 -1.799 1.00 0.00 C ATOM 135 NH1 ARG A 84 -2.537 11.813 -2.099 1.00 0.00 N ATOM 136 NH2 ARG A 84 -1.409 13.809 -2.043 1.00 0.00 N ATOM 0 H ARG A 84 -0.129 8.072 -0.359 1.00 0.00 H new ATOM 0 HA ARG A 84 2.159 7.478 -1.567 1.00 0.00 H new ATOM 0 HB2 ARG A 84 2.872 9.854 -0.379 1.00 0.00 H new ATOM 0 HB3 ARG A 84 1.866 9.700 -1.806 1.00 0.00 H new ATOM 0 HG2 ARG A 84 0.414 9.457 0.775 1.00 0.00 H new ATOM 0 HG3 ARG A 84 1.141 11.025 0.481 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -0.247 9.908 -1.880 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.305 10.168 -0.507 1.00 0.00 H new ATOM 0 HE ARG A 84 0.423 12.460 -1.036 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -2.571 10.811 -1.912 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -3.341 12.282 -2.516 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -0.573 14.346 -1.813 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -2.215 14.274 -2.461 1.00 0.00 H new ATOM 150 N SER A 85 4.089 6.882 -0.150 1.00 0.00 N ATOM 151 CA SER A 85 5.208 6.428 0.670 1.00 0.00 C ATOM 152 C SER A 85 5.475 7.400 1.815 1.00 0.00 C ATOM 153 O SER A 85 5.988 8.499 1.605 1.00 0.00 O ATOM 154 CB SER A 85 6.466 6.273 -0.185 1.00 0.00 C ATOM 155 OG SER A 85 7.417 5.440 0.454 1.00 0.00 O ATOM 0 H SER A 85 4.184 6.673 -1.144 1.00 0.00 H new ATOM 0 HA SER A 85 4.943 5.459 1.094 1.00 0.00 H new ATOM 0 HB2 SER A 85 6.201 5.851 -1.154 1.00 0.00 H new ATOM 0 HB3 SER A 85 6.905 7.253 -0.373 1.00 0.00 H new ATOM 0 HG SER A 85 8.143 5.990 0.816 1.00 0.00 H new ATOM 161 N PRO A 86 5.135 6.999 3.048 1.00 0.00 N ATOM 162 CA PRO A 86 5.342 7.830 4.239 1.00 0.00 C ATOM 163 C PRO A 86 6.819 8.097 4.497 1.00 0.00 C ATOM 164 O PRO A 86 7.179 9.051 5.187 1.00 0.00 O ATOM 165 CB PRO A 86 4.740 6.996 5.374 1.00 0.00 C ATOM 166 CG PRO A 86 4.732 5.596 4.863 1.00 0.00 C ATOM 167 CD PRO A 86 4.525 5.701 3.379 1.00 0.00 C ATOM 0 HA PRO A 86 4.884 8.814 4.135 1.00 0.00 H new ATOM 0 HB2 PRO A 86 5.334 7.080 6.284 1.00 0.00 H new ATOM 0 HB3 PRO A 86 3.733 7.332 5.619 1.00 0.00 H new ATOM 0 HG2 PRO A 86 5.671 5.091 5.092 1.00 0.00 H new ATOM 0 HG3 PRO A 86 3.936 5.015 5.328 1.00 0.00 H new ATOM 0 HD2 PRO A 86 5.007 4.881 2.846 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.467 5.674 3.117 1.00 0.00 H new ATOM 175 N MET A 87 7.671 7.245 3.937 1.00 0.00 N ATOM 176 CA MET A 87 9.112 7.383 4.099 1.00 0.00 C ATOM 177 C MET A 87 9.851 6.744 2.930 1.00 0.00 C ATOM 178 O MET A 87 9.245 6.090 2.081 1.00 0.00 O ATOM 179 CB MET A 87 9.564 6.744 5.415 1.00 0.00 C ATOM 180 CG MET A 87 9.624 5.226 5.366 1.00 0.00 C ATOM 181 SD MET A 87 9.711 4.482 7.006 1.00 0.00 S ATOM 182 CE MET A 87 8.291 5.235 7.796 1.00 0.00 C ATOM 0 H MET A 87 7.386 6.450 3.365 1.00 0.00 H new ATOM 0 HA MET A 87 9.351 8.446 4.121 1.00 0.00 H new ATOM 0 HB2 MET A 87 10.549 7.130 5.677 1.00 0.00 H new ATOM 0 HB3 MET A 87 8.882 7.047 6.209 1.00 0.00 H new ATOM 0 HG2 MET A 87 8.744 4.848 4.846 1.00 0.00 H new ATOM 0 HG3 MET A 87 10.494 4.919 4.785 1.00 0.00 H new ATOM 0 HE1 MET A 87 7.930 4.584 8.593 1.00 0.00 H new ATOM 0 HE2 MET A 87 8.577 6.199 8.216 1.00 0.00 H new ATOM 0 HE3 MET A 87 7.500 5.381 7.060 1.00 0.00 H new ATOM 192 N VAL A 88 11.165 6.939 2.888 1.00 0.00 N ATOM 193 CA VAL A 88 11.986 6.382 1.821 1.00 0.00 C ATOM 194 C VAL A 88 12.020 4.858 1.894 1.00 0.00 C ATOM 195 O VAL A 88 12.907 4.277 2.518 1.00 0.00 O ATOM 196 CB VAL A 88 13.428 6.917 1.885 1.00 0.00 C ATOM 197 CG1 VAL A 88 13.450 8.421 1.670 1.00 0.00 C ATOM 198 CG2 VAL A 88 14.074 6.551 3.212 1.00 0.00 C ATOM 0 H VAL A 88 11.683 7.479 3.581 1.00 0.00 H new ATOM 0 HA VAL A 88 11.533 6.690 0.879 1.00 0.00 H new ATOM 0 HB VAL A 88 14.005 6.452 1.086 1.00 0.00 H new ATOM 0 HG11 VAL A 88 14.478 8.781 1.719 1.00 0.00 H new ATOM 0 HG12 VAL A 88 13.030 8.655 0.692 1.00 0.00 H new ATOM 0 HG13 VAL A 88 12.858 8.908 2.445 1.00 0.00 H new ATOM 0 HG21 VAL A 88 15.093 6.937 3.239 1.00 0.00 H new ATOM 0 HG22 VAL A 88 13.499 6.986 4.029 1.00 0.00 H new ATOM 0 HG23 VAL A 88 14.094 5.467 3.320 1.00 0.00 H new ATOM 208 N GLY A 89 11.048 4.216 1.253 1.00 0.00 N ATOM 209 CA GLY A 89 10.988 2.765 1.261 1.00 0.00 C ATOM 210 C GLY A 89 10.406 2.198 -0.019 1.00 0.00 C ATOM 211 O GLY A 89 10.365 2.877 -1.045 1.00 0.00 O ATOM 0 H GLY A 89 10.302 4.673 0.729 1.00 0.00 H new ATOM 0 HA2 GLY A 89 11.991 2.364 1.408 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.385 2.435 2.107 1.00 0.00 H new ATOM 215 N THR A 90 9.957 0.948 0.040 1.00 0.00 N ATOM 216 CA THR A 90 9.376 0.287 -1.124 1.00 0.00 C ATOM 217 C THR A 90 7.916 -0.078 -0.877 1.00 0.00 C ATOM 218 O THR A 90 7.549 -0.512 0.215 1.00 0.00 O ATOM 219 CB THR A 90 10.166 -0.975 -1.471 1.00 0.00 C ATOM 220 OG1 THR A 90 11.396 -0.648 -2.092 1.00 0.00 O ATOM 221 CG2 THR A 90 9.418 -1.913 -2.393 1.00 0.00 C ATOM 0 H THR A 90 9.984 0.372 0.882 1.00 0.00 H new ATOM 0 HA THR A 90 9.424 0.985 -1.960 1.00 0.00 H new ATOM 0 HB THR A 90 10.331 -1.481 -0.520 1.00 0.00 H new ATOM 0 HG1 THR A 90 11.877 0.005 -1.542 1.00 0.00 H new ATOM 0 HG21 THR A 90 10.034 -2.788 -2.600 1.00 0.00 H new ATOM 0 HG22 THR A 90 8.489 -2.227 -1.917 1.00 0.00 H new ATOM 0 HG23 THR A 90 9.191 -1.400 -3.328 1.00 0.00 H new ATOM 229 N PHE A 91 7.090 0.092 -1.903 1.00 0.00 N ATOM 230 CA PHE A 91 5.672 -0.229 -1.806 1.00 0.00 C ATOM 231 C PHE A 91 5.432 -1.684 -2.194 1.00 0.00 C ATOM 232 O PHE A 91 6.090 -2.210 -3.094 1.00 0.00 O ATOM 233 CB PHE A 91 4.856 0.704 -2.706 1.00 0.00 C ATOM 234 CG PHE A 91 3.489 0.183 -3.051 1.00 0.00 C ATOM 235 CD1 PHE A 91 2.408 0.411 -2.204 1.00 0.00 C ATOM 236 CD2 PHE A 91 3.280 -0.530 -4.228 1.00 0.00 C ATOM 237 CE1 PHE A 91 1.146 -0.063 -2.525 1.00 0.00 C ATOM 238 CE2 PHE A 91 2.019 -1.006 -4.552 1.00 0.00 C ATOM 239 CZ PHE A 91 0.952 -0.772 -3.699 1.00 0.00 C ATOM 0 H PHE A 91 7.379 0.451 -2.813 1.00 0.00 H new ATOM 0 HA PHE A 91 5.351 -0.087 -0.774 1.00 0.00 H new ATOM 0 HB2 PHE A 91 4.751 1.669 -2.210 1.00 0.00 H new ATOM 0 HB3 PHE A 91 5.410 0.878 -3.628 1.00 0.00 H new ATOM 0 HD1 PHE A 91 2.554 0.963 -1.287 1.00 0.00 H new ATOM 0 HD2 PHE A 91 4.109 -0.714 -4.896 1.00 0.00 H new ATOM 0 HE1 PHE A 91 0.315 0.120 -1.860 1.00 0.00 H new ATOM 0 HE2 PHE A 91 1.868 -1.558 -5.468 1.00 0.00 H new ATOM 0 HZ PHE A 91 -0.031 -1.143 -3.950 1.00 0.00 H new ATOM 249 N TYR A 92 4.499 -2.333 -1.505 1.00 0.00 N ATOM 250 CA TYR A 92 4.188 -3.733 -1.779 1.00 0.00 C ATOM 251 C TYR A 92 2.686 -3.989 -1.708 1.00 0.00 C ATOM 252 O TYR A 92 1.970 -3.341 -0.945 1.00 0.00 O ATOM 253 CB TYR A 92 4.915 -4.638 -0.785 1.00 0.00 C ATOM 254 CG TYR A 92 6.417 -4.646 -0.959 1.00 0.00 C ATOM 255 CD1 TYR A 92 6.987 -4.496 -2.220 1.00 0.00 C ATOM 256 CD2 TYR A 92 7.265 -4.802 0.137 1.00 0.00 C ATOM 257 CE1 TYR A 92 8.367 -4.501 -2.388 1.00 0.00 C ATOM 258 CE2 TYR A 92 8.640 -4.808 -0.020 1.00 0.00 C ATOM 259 CZ TYR A 92 9.186 -4.659 -1.284 1.00 0.00 C ATOM 260 OH TYR A 92 10.554 -4.665 -1.442 1.00 0.00 O ATOM 0 H TYR A 92 3.947 -1.915 -0.756 1.00 0.00 H new ATOM 0 HA TYR A 92 4.526 -3.960 -2.790 1.00 0.00 H new ATOM 0 HB2 TYR A 92 4.677 -4.315 0.229 1.00 0.00 H new ATOM 0 HB3 TYR A 92 4.540 -5.656 -0.892 1.00 0.00 H new ATOM 0 HD1 TYR A 92 6.347 -4.374 -3.081 1.00 0.00 H new ATOM 0 HD2 TYR A 92 6.842 -4.920 1.124 1.00 0.00 H new ATOM 0 HE1 TYR A 92 8.796 -4.383 -3.372 1.00 0.00 H new ATOM 0 HE2 TYR A 92 9.284 -4.928 0.839 1.00 0.00 H new ATOM 0 HH TYR A 92 10.973 -5.066 -0.652 1.00 0.00 H new ATOM 270 N ARG A 93 2.219 -4.941 -2.507 1.00 0.00 N ATOM 271 CA ARG A 93 0.804 -5.292 -2.538 1.00 0.00 C ATOM 272 C ARG A 93 0.621 -6.806 -2.528 1.00 0.00 C ATOM 273 O ARG A 93 -0.470 -7.311 -2.794 1.00 0.00 O ATOM 274 CB ARG A 93 0.136 -4.693 -3.776 1.00 0.00 C ATOM 275 CG ARG A 93 0.725 -5.194 -5.086 1.00 0.00 C ATOM 276 CD ARG A 93 -0.099 -4.736 -6.278 1.00 0.00 C ATOM 277 NE ARG A 93 -0.860 -5.832 -6.872 1.00 0.00 N ATOM 278 CZ ARG A 93 -0.351 -6.690 -7.750 1.00 0.00 C ATOM 279 NH1 ARG A 93 0.913 -6.578 -8.134 1.00 0.00 N ATOM 280 NH2 ARG A 93 -1.106 -7.660 -8.246 1.00 0.00 N ATOM 0 H ARG A 93 2.801 -5.485 -3.144 1.00 0.00 H new ATOM 0 HA ARG A 93 0.332 -4.881 -1.646 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -0.929 -4.926 -3.753 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.226 -3.607 -3.738 1.00 0.00 H new ATOM 0 HG2 ARG A 93 1.748 -4.832 -5.189 1.00 0.00 H new ATOM 0 HG3 ARG A 93 0.773 -6.283 -5.072 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -0.784 -3.948 -5.964 1.00 0.00 H new ATOM 0 HD3 ARG A 93 0.561 -4.304 -7.030 1.00 0.00 H new ATOM 0 HE ARG A 93 -1.836 -5.945 -6.598 1.00 0.00 H new ATOM 0 HH11 ARG A 93 1.497 -5.832 -7.755 1.00 0.00 H new ATOM 0 HH12 ARG A 93 1.302 -7.238 -8.808 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -2.079 -7.749 -7.954 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -0.714 -8.318 -8.920 1.00 0.00 H new ATOM 294 N THR A 94 1.697 -7.524 -2.223 1.00 0.00 N ATOM 295 CA THR A 94 1.658 -8.982 -2.181 1.00 0.00 C ATOM 296 C THR A 94 2.499 -9.517 -1.027 1.00 0.00 C ATOM 297 O THR A 94 3.727 -9.435 -1.050 1.00 0.00 O ATOM 298 CB THR A 94 2.160 -9.561 -3.504 1.00 0.00 C ATOM 299 OG1 THR A 94 3.459 -9.079 -3.801 1.00 0.00 O ATOM 300 CG2 THR A 94 1.268 -9.229 -4.680 1.00 0.00 C ATOM 0 H THR A 94 2.607 -7.120 -2.001 1.00 0.00 H new ATOM 0 HA THR A 94 0.624 -9.290 -2.024 1.00 0.00 H new ATOM 0 HB THR A 94 2.161 -10.642 -3.364 1.00 0.00 H new ATOM 0 HG1 THR A 94 3.998 -9.064 -2.982 1.00 0.00 H new ATOM 0 HG21 THR A 94 1.682 -9.670 -5.587 1.00 0.00 H new ATOM 0 HG22 THR A 94 0.270 -9.630 -4.504 1.00 0.00 H new ATOM 0 HG23 THR A 94 1.208 -8.147 -4.797 1.00 0.00 H new ATOM 308 N PRO A 95 1.841 -10.076 0.001 1.00 0.00 N ATOM 309 CA PRO A 95 2.526 -10.628 1.175 1.00 0.00 C ATOM 310 C PRO A 95 3.293 -11.908 0.853 1.00 0.00 C ATOM 311 O PRO A 95 4.398 -12.123 1.352 1.00 0.00 O ATOM 312 CB PRO A 95 1.382 -10.922 2.147 1.00 0.00 C ATOM 313 CG PRO A 95 0.190 -11.123 1.278 1.00 0.00 C ATOM 314 CD PRO A 95 0.377 -10.208 0.100 1.00 0.00 C ATOM 0 HA PRO A 95 3.274 -9.941 1.570 1.00 0.00 H new ATOM 0 HB2 PRO A 95 1.589 -11.809 2.746 1.00 0.00 H new ATOM 0 HB3 PRO A 95 1.231 -10.096 2.842 1.00 0.00 H new ATOM 0 HG2 PRO A 95 0.112 -12.162 0.957 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -0.729 -10.886 1.815 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -0.051 -10.630 -0.809 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -0.104 -9.243 0.260 1.00 0.00 H new ATOM 322 N SER A 96 2.699 -12.756 0.017 1.00 0.00 N ATOM 323 CA SER A 96 3.328 -14.015 -0.369 1.00 0.00 C ATOM 324 C SER A 96 3.325 -14.183 -1.885 1.00 0.00 C ATOM 325 O SER A 96 2.422 -13.704 -2.571 1.00 0.00 O ATOM 326 CB SER A 96 2.606 -15.192 0.289 1.00 0.00 C ATOM 327 OG SER A 96 1.983 -16.017 -0.682 1.00 0.00 O ATOM 0 H SER A 96 1.785 -12.594 -0.405 1.00 0.00 H new ATOM 0 HA SER A 96 4.363 -13.996 -0.027 1.00 0.00 H new ATOM 0 HB2 SER A 96 3.317 -15.781 0.868 1.00 0.00 H new ATOM 0 HB3 SER A 96 1.857 -14.819 0.988 1.00 0.00 H new ATOM 0 HG SER A 96 1.530 -16.763 -0.236 1.00 0.00 H new ATOM 333 N PRO A 97 4.343 -14.870 -2.425 1.00 0.00 N ATOM 334 CA PRO A 97 4.462 -15.107 -3.868 1.00 0.00 C ATOM 335 C PRO A 97 3.203 -15.735 -4.457 1.00 0.00 C ATOM 336 O PRO A 97 2.829 -15.451 -5.594 1.00 0.00 O ATOM 337 CB PRO A 97 5.643 -16.076 -3.975 1.00 0.00 C ATOM 338 CG PRO A 97 6.443 -15.839 -2.742 1.00 0.00 C ATOM 339 CD PRO A 97 5.454 -15.472 -1.670 1.00 0.00 C ATOM 0 HA PRO A 97 4.604 -14.179 -4.422 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.302 -17.110 -4.033 1.00 0.00 H new ATOM 0 HB3 PRO A 97 6.232 -15.884 -4.872 1.00 0.00 H new ATOM 0 HG2 PRO A 97 7.006 -16.730 -2.465 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.168 -15.039 -2.895 1.00 0.00 H new ATOM 0 HD2 PRO A 97 5.130 -16.346 -1.106 1.00 0.00 H new ATOM 0 HD3 PRO A 97 5.880 -14.770 -0.953 1.00 0.00 H new ATOM 347 N ASP A 98 2.554 -16.590 -3.673 1.00 0.00 N ATOM 348 CA ASP A 98 1.336 -17.259 -4.115 1.00 0.00 C ATOM 349 C ASP A 98 0.158 -16.890 -3.219 1.00 0.00 C ATOM 350 O ASP A 98 -0.648 -17.746 -2.852 1.00 0.00 O ATOM 351 CB ASP A 98 1.535 -18.776 -4.117 1.00 0.00 C ATOM 352 CG ASP A 98 1.483 -19.365 -5.514 1.00 0.00 C ATOM 353 OD1 ASP A 98 1.154 -18.619 -6.461 1.00 0.00 O ATOM 354 OD2 ASP A 98 1.772 -20.571 -5.660 1.00 0.00 O ATOM 0 H ASP A 98 2.851 -16.836 -2.729 1.00 0.00 H new ATOM 0 HA ASP A 98 1.116 -16.927 -5.130 1.00 0.00 H new ATOM 0 HB2 ASP A 98 2.496 -19.014 -3.661 1.00 0.00 H new ATOM 0 HB3 ASP A 98 0.766 -19.241 -3.501 1.00 0.00 H new ATOM 359 N ALA A 99 0.064 -15.611 -2.872 1.00 0.00 N ATOM 360 CA ALA A 99 -1.015 -15.129 -2.019 1.00 0.00 C ATOM 361 C ALA A 99 -2.111 -14.463 -2.844 1.00 0.00 C ATOM 362 O ALA A 99 -2.280 -14.761 -4.026 1.00 0.00 O ATOM 363 CB ALA A 99 -0.471 -14.159 -0.980 1.00 0.00 C ATOM 0 H ALA A 99 0.722 -14.890 -3.168 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.452 -15.986 -1.507 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.287 -13.806 -0.349 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.272 -14.665 -0.363 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -0.008 -13.310 -1.482 1.00 0.00 H new ATOM 369 N LYS A 100 -2.854 -13.560 -2.212 1.00 0.00 N ATOM 370 CA LYS A 100 -3.936 -12.852 -2.887 1.00 0.00 C ATOM 371 C LYS A 100 -3.744 -11.342 -2.785 1.00 0.00 C ATOM 372 O LYS A 100 -4.710 -10.591 -2.646 1.00 0.00 O ATOM 373 CB LYS A 100 -5.286 -13.249 -2.285 1.00 0.00 C ATOM 374 CG LYS A 100 -5.607 -12.530 -0.985 1.00 0.00 C ATOM 375 CD LYS A 100 -5.793 -13.509 0.161 1.00 0.00 C ATOM 376 CE LYS A 100 -6.730 -14.643 -0.222 1.00 0.00 C ATOM 377 NZ LYS A 100 -5.996 -15.920 -0.437 1.00 0.00 N ATOM 0 H LYS A 100 -2.727 -13.301 -1.234 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.920 -13.132 -3.940 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.073 -13.041 -3.010 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.293 -14.324 -2.107 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.803 -11.835 -0.744 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.513 -11.938 -1.110 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.825 -13.918 0.452 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -6.192 -12.984 1.029 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.474 -14.780 0.562 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -7.270 -14.377 -1.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -6.431 -16.442 -1.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -5.002 -15.715 -0.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -6.042 -16.496 0.427 1.00 0.00 H new ATOM 391 N ALA A 101 -2.492 -10.902 -2.856 1.00 0.00 N ATOM 392 CA ALA A 101 -2.174 -9.482 -2.775 1.00 0.00 C ATOM 393 C ALA A 101 -2.716 -8.870 -1.487 1.00 0.00 C ATOM 394 O ALA A 101 -3.545 -9.471 -0.804 1.00 0.00 O ATOM 395 CB ALA A 101 -2.730 -8.746 -3.985 1.00 0.00 C ATOM 0 H ALA A 101 -1.681 -11.510 -2.970 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.089 -9.379 -2.767 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.485 -7.687 -3.911 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.291 -9.157 -4.894 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.813 -8.866 -4.018 1.00 0.00 H new ATOM 401 N PHE A 102 -2.243 -7.672 -1.162 1.00 0.00 N ATOM 402 CA PHE A 102 -2.680 -6.978 0.044 1.00 0.00 C ATOM 403 C PHE A 102 -3.908 -6.118 -0.236 1.00 0.00 C ATOM 404 O PHE A 102 -4.782 -5.970 0.618 1.00 0.00 O ATOM 405 CB PHE A 102 -1.549 -6.110 0.598 1.00 0.00 C ATOM 406 CG PHE A 102 -1.083 -6.530 1.963 1.00 0.00 C ATOM 407 CD1 PHE A 102 -1.974 -7.087 2.873 1.00 0.00 C ATOM 408 CD2 PHE A 102 0.246 -6.369 2.338 1.00 0.00 C ATOM 409 CE1 PHE A 102 -1.548 -7.476 4.135 1.00 0.00 C ATOM 410 CE2 PHE A 102 0.678 -6.756 3.597 1.00 0.00 C ATOM 411 CZ PHE A 102 -0.220 -7.311 4.496 1.00 0.00 C ATOM 0 H PHE A 102 -1.557 -7.161 -1.717 1.00 0.00 H new ATOM 0 HA PHE A 102 -2.948 -7.729 0.787 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -0.705 -6.144 -0.091 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -1.885 -5.074 0.641 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -3.009 -7.218 2.595 1.00 0.00 H new ATOM 0 HD2 PHE A 102 0.949 -5.938 1.641 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -2.250 -7.906 4.834 1.00 0.00 H new ATOM 0 HE2 PHE A 102 1.713 -6.625 3.877 1.00 0.00 H new ATOM 0 HZ PHE A 102 0.115 -7.615 5.477 1.00 0.00 H new ATOM 421 N ILE A 103 -3.966 -5.552 -1.438 1.00 0.00 N ATOM 422 CA ILE A 103 -5.086 -4.704 -1.832 1.00 0.00 C ATOM 423 C ILE A 103 -4.866 -4.114 -3.221 1.00 0.00 C ATOM 424 O ILE A 103 -3.829 -3.508 -3.492 1.00 0.00 O ATOM 425 CB ILE A 103 -5.309 -3.555 -0.830 1.00 0.00 C ATOM 426 CG1 ILE A 103 -3.987 -3.153 -0.173 1.00 0.00 C ATOM 427 CG2 ILE A 103 -6.329 -3.960 0.224 1.00 0.00 C ATOM 428 CD1 ILE A 103 -3.707 -1.669 -0.251 1.00 0.00 C ATOM 0 H ILE A 103 -3.250 -5.665 -2.156 1.00 0.00 H new ATOM 0 HA ILE A 103 -5.971 -5.340 -1.843 1.00 0.00 H new ATOM 0 HB ILE A 103 -5.698 -2.693 -1.373 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -4.002 -3.458 0.873 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -3.172 -3.695 -0.652 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -6.475 -3.137 0.924 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -7.277 -4.198 -0.259 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -5.967 -4.835 0.763 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -2.755 -1.452 0.234 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -3.661 -1.362 -1.296 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -4.503 -1.121 0.253 1.00 0.00 H new ATOM 440 N GLU A 104 -5.849 -4.295 -4.097 1.00 0.00 N ATOM 441 CA GLU A 104 -5.766 -3.781 -5.459 1.00 0.00 C ATOM 442 C GLU A 104 -6.954 -2.876 -5.770 1.00 0.00 C ATOM 443 O GLU A 104 -7.945 -2.867 -5.042 1.00 0.00 O ATOM 444 CB GLU A 104 -5.713 -4.936 -6.460 1.00 0.00 C ATOM 445 CG GLU A 104 -4.352 -5.117 -7.111 1.00 0.00 C ATOM 446 CD GLU A 104 -4.014 -6.574 -7.358 1.00 0.00 C ATOM 447 OE1 GLU A 104 -4.077 -7.369 -6.397 1.00 0.00 O ATOM 448 OE2 GLU A 104 -3.686 -6.920 -8.512 1.00 0.00 O ATOM 0 H GLU A 104 -6.713 -4.794 -3.887 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.852 -3.194 -5.545 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -5.988 -5.860 -5.951 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.458 -4.766 -7.237 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -4.331 -4.577 -8.058 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -3.587 -4.673 -6.474 1.00 0.00 H new ATOM 455 N VAL A 105 -6.847 -2.118 -6.856 1.00 0.00 N ATOM 456 CA VAL A 105 -7.915 -1.213 -7.262 1.00 0.00 C ATOM 457 C VAL A 105 -9.276 -1.894 -7.156 1.00 0.00 C ATOM 458 O VAL A 105 -9.528 -2.907 -7.809 1.00 0.00 O ATOM 459 CB VAL A 105 -7.711 -0.714 -8.706 1.00 0.00 C ATOM 460 CG1 VAL A 105 -7.327 -1.866 -9.621 1.00 0.00 C ATOM 461 CG2 VAL A 105 -8.963 -0.014 -9.213 1.00 0.00 C ATOM 0 H VAL A 105 -6.032 -2.113 -7.470 1.00 0.00 H new ATOM 0 HA VAL A 105 -7.884 -0.359 -6.586 1.00 0.00 H new ATOM 0 HB VAL A 105 -6.894 0.008 -8.708 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -7.187 -1.494 -10.636 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -6.399 -2.317 -9.269 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -8.119 -2.615 -9.615 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -8.799 0.331 -10.234 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -9.801 -0.710 -9.196 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -9.187 0.840 -8.573 1.00 0.00 H new ATOM 471 N GLY A 106 -10.149 -1.330 -6.328 1.00 0.00 N ATOM 472 CA GLY A 106 -11.473 -1.896 -6.150 1.00 0.00 C ATOM 473 C GLY A 106 -11.689 -2.429 -4.747 1.00 0.00 C ATOM 474 O GLY A 106 -12.821 -2.705 -4.348 1.00 0.00 O ATOM 0 H GLY A 106 -9.963 -0.492 -5.777 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -12.223 -1.135 -6.366 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -11.620 -2.702 -6.869 1.00 0.00 H new ATOM 478 N GLN A 107 -10.601 -2.574 -3.999 1.00 0.00 N ATOM 479 CA GLN A 107 -10.674 -3.077 -2.632 1.00 0.00 C ATOM 480 C GLN A 107 -11.233 -2.015 -1.691 1.00 0.00 C ATOM 481 O GLN A 107 -10.726 -0.894 -1.632 1.00 0.00 O ATOM 482 CB GLN A 107 -9.290 -3.519 -2.154 1.00 0.00 C ATOM 483 CG GLN A 107 -9.217 -4.990 -1.778 1.00 0.00 C ATOM 484 CD GLN A 107 -10.171 -5.354 -0.657 1.00 0.00 C ATOM 485 OE1 GLN A 107 -10.887 -4.499 -0.134 1.00 0.00 O ATOM 486 NE2 GLN A 107 -10.185 -6.626 -0.280 1.00 0.00 N ATOM 0 H GLN A 107 -9.658 -2.350 -4.316 1.00 0.00 H new ATOM 0 HA GLN A 107 -11.346 -3.936 -2.623 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -8.562 -3.317 -2.940 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -9.004 -2.917 -1.291 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -9.444 -5.597 -2.655 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -8.198 -5.234 -1.477 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -9.575 -7.301 -0.741 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -10.806 -6.929 0.471 1.00 0.00 H new ATOM 495 N LYS A 108 -12.281 -2.374 -0.957 1.00 0.00 N ATOM 496 CA LYS A 108 -12.908 -1.452 -0.018 1.00 0.00 C ATOM 497 C LYS A 108 -12.299 -1.596 1.373 1.00 0.00 C ATOM 498 O LYS A 108 -12.921 -2.155 2.278 1.00 0.00 O ATOM 499 CB LYS A 108 -14.416 -1.702 0.044 1.00 0.00 C ATOM 500 CG LYS A 108 -14.786 -3.174 0.115 1.00 0.00 C ATOM 501 CD LYS A 108 -15.288 -3.688 -1.225 1.00 0.00 C ATOM 502 CE LYS A 108 -15.582 -5.179 -1.175 1.00 0.00 C ATOM 503 NZ LYS A 108 -14.531 -5.976 -1.866 1.00 0.00 N ATOM 0 H LYS A 108 -12.714 -3.297 -0.995 1.00 0.00 H new ATOM 0 HA LYS A 108 -12.730 -0.436 -0.370 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -14.825 -1.191 0.915 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -14.886 -1.260 -0.835 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -13.917 -3.754 0.426 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -15.555 -3.321 0.873 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -16.191 -3.147 -1.508 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -14.543 -3.489 -1.995 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -15.656 -5.500 -0.136 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -16.549 -5.374 -1.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -14.769 -6.987 -1.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -14.477 -5.688 -2.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -13.612 -5.810 -1.408 1.00 0.00 H new ATOM 517 N VAL A 109 -11.082 -1.089 1.537 1.00 0.00 N ATOM 518 CA VAL A 109 -10.393 -1.163 2.820 1.00 0.00 C ATOM 519 C VAL A 109 -11.314 -0.739 3.960 1.00 0.00 C ATOM 520 O VAL A 109 -12.427 -0.271 3.728 1.00 0.00 O ATOM 521 CB VAL A 109 -9.130 -0.279 2.836 1.00 0.00 C ATOM 522 CG1 VAL A 109 -8.186 -0.675 1.712 1.00 0.00 C ATOM 523 CG2 VAL A 109 -9.504 1.192 2.733 1.00 0.00 C ATOM 0 H VAL A 109 -10.553 -0.623 0.799 1.00 0.00 H new ATOM 0 HA VAL A 109 -10.097 -2.203 2.961 1.00 0.00 H new ATOM 0 HB VAL A 109 -8.615 -0.433 3.784 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -7.301 -0.040 1.740 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -7.889 -1.717 1.836 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -8.690 -0.553 0.753 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -8.599 1.799 2.746 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -10.044 1.366 1.802 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -10.137 1.466 3.577 1.00 0.00 H new ATOM 533 N ASN A 110 -10.841 -0.904 5.189 1.00 0.00 N ATOM 534 CA ASN A 110 -11.618 -0.539 6.363 1.00 0.00 C ATOM 535 C ASN A 110 -10.727 -0.454 7.593 1.00 0.00 C ATOM 536 O ASN A 110 -9.940 -1.359 7.870 1.00 0.00 O ATOM 537 CB ASN A 110 -12.738 -1.550 6.605 1.00 0.00 C ATOM 538 CG ASN A 110 -13.789 -1.526 5.512 1.00 0.00 C ATOM 539 OD1 ASN A 110 -13.773 -2.351 4.600 1.00 0.00 O ATOM 540 ND2 ASN A 110 -14.712 -0.575 5.601 1.00 0.00 N ATOM 0 H ASN A 110 -9.920 -1.290 5.397 1.00 0.00 H new ATOM 0 HA ASN A 110 -12.060 0.440 6.180 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -12.311 -2.551 6.672 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -13.211 -1.340 7.564 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -15.446 -0.509 4.895 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -14.687 0.089 6.375 1.00 0.00 H new ATOM 547 N VAL A 111 -10.860 0.640 8.325 1.00 0.00 N ATOM 548 CA VAL A 111 -10.073 0.858 9.531 1.00 0.00 C ATOM 549 C VAL A 111 -9.838 -0.452 10.275 1.00 0.00 C ATOM 550 O VAL A 111 -10.784 -1.109 10.709 1.00 0.00 O ATOM 551 CB VAL A 111 -10.760 1.858 10.478 1.00 0.00 C ATOM 552 CG1 VAL A 111 -10.931 3.207 9.797 1.00 0.00 C ATOM 553 CG2 VAL A 111 -12.102 1.315 10.947 1.00 0.00 C ATOM 0 H VAL A 111 -11.509 1.396 8.105 1.00 0.00 H new ATOM 0 HA VAL A 111 -9.115 1.271 9.214 1.00 0.00 H new ATOM 0 HB VAL A 111 -10.125 1.997 11.353 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -11.418 3.901 10.482 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -9.954 3.600 9.517 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -11.544 3.088 8.903 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -12.573 2.036 11.616 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -12.747 1.145 10.085 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -11.949 0.375 11.477 1.00 0.00 H new ATOM 563 N GLY A 112 -8.571 -0.827 10.416 1.00 0.00 N ATOM 564 CA GLY A 112 -8.235 -2.059 11.105 1.00 0.00 C ATOM 565 C GLY A 112 -7.914 -3.187 10.144 1.00 0.00 C ATOM 566 O GLY A 112 -7.886 -4.355 10.534 1.00 0.00 O ATOM 0 H GLY A 112 -7.771 -0.300 10.066 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.379 -1.886 11.757 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -9.068 -2.354 11.743 1.00 0.00 H new ATOM 570 N ASP A 113 -7.670 -2.837 8.886 1.00 0.00 N ATOM 571 CA ASP A 113 -7.349 -3.826 7.865 1.00 0.00 C ATOM 572 C ASP A 113 -6.032 -3.483 7.179 1.00 0.00 C ATOM 573 O ASP A 113 -5.971 -2.579 6.345 1.00 0.00 O ATOM 574 CB ASP A 113 -8.471 -3.907 6.829 1.00 0.00 C ATOM 575 CG ASP A 113 -9.161 -5.257 6.829 1.00 0.00 C ATOM 576 OD1 ASP A 113 -9.321 -5.842 7.922 1.00 0.00 O ATOM 577 OD2 ASP A 113 -9.541 -5.730 5.737 1.00 0.00 O ATOM 0 H ASP A 113 -7.689 -1.874 8.549 1.00 0.00 H new ATOM 0 HA ASP A 113 -7.247 -4.796 8.352 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -9.205 -3.127 7.031 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -8.062 -3.711 5.838 1.00 0.00 H new ATOM 582 N THR A 114 -4.979 -4.212 7.538 1.00 0.00 N ATOM 583 CA THR A 114 -3.657 -3.991 6.963 1.00 0.00 C ATOM 584 C THR A 114 -3.757 -3.555 5.505 1.00 0.00 C ATOM 585 O THR A 114 -4.328 -4.260 4.673 1.00 0.00 O ATOM 586 CB THR A 114 -2.816 -5.263 7.070 1.00 0.00 C ATOM 587 OG1 THR A 114 -3.059 -5.924 8.298 1.00 0.00 O ATOM 588 CG2 THR A 114 -1.328 -5.004 6.973 1.00 0.00 C ATOM 0 H THR A 114 -5.017 -4.963 8.227 1.00 0.00 H new ATOM 0 HA THR A 114 -3.174 -3.192 7.526 1.00 0.00 H new ATOM 0 HB THR A 114 -3.117 -5.881 6.224 1.00 0.00 H new ATOM 0 HG1 THR A 114 -2.513 -6.736 8.346 1.00 0.00 H new ATOM 0 HG21 THR A 114 -0.788 -5.947 7.056 1.00 0.00 H new ATOM 0 HG22 THR A 114 -1.101 -4.540 6.013 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.021 -4.338 7.780 1.00 0.00 H new ATOM 596 N LEU A 115 -3.197 -2.388 5.204 1.00 0.00 N ATOM 597 CA LEU A 115 -3.221 -1.856 3.847 1.00 0.00 C ATOM 598 C LEU A 115 -2.173 -2.540 2.975 1.00 0.00 C ATOM 599 O LEU A 115 -2.466 -3.515 2.284 1.00 0.00 O ATOM 600 CB LEU A 115 -2.983 -0.346 3.865 1.00 0.00 C ATOM 601 CG LEU A 115 -4.239 0.505 4.062 1.00 0.00 C ATOM 602 CD1 LEU A 115 -3.874 1.977 4.180 1.00 0.00 C ATOM 603 CD2 LEU A 115 -5.217 0.286 2.917 1.00 0.00 C ATOM 0 H LEU A 115 -2.721 -1.793 5.882 1.00 0.00 H new ATOM 0 HA LEU A 115 -4.205 -2.056 3.422 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -2.277 -0.114 4.662 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -2.510 -0.057 2.926 1.00 0.00 H new ATOM 0 HG LEU A 115 -4.722 0.196 4.989 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -4.780 2.566 4.320 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -3.213 2.120 5.034 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -3.367 2.300 3.271 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -6.104 0.899 3.074 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -4.744 0.566 1.976 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -5.504 -0.765 2.880 1.00 0.00 H new ATOM 615 N CYS A 116 -0.948 -2.023 3.012 1.00 0.00 N ATOM 616 CA CYS A 116 0.140 -2.586 2.222 1.00 0.00 C ATOM 617 C CYS A 116 1.413 -2.714 3.053 1.00 0.00 C ATOM 618 O CYS A 116 1.409 -2.463 4.258 1.00 0.00 O ATOM 619 CB CYS A 116 0.407 -1.719 0.991 1.00 0.00 C ATOM 620 SG CYS A 116 -0.180 -0.015 1.148 1.00 0.00 S ATOM 0 H CYS A 116 -0.685 -1.217 3.579 1.00 0.00 H new ATOM 0 HA CYS A 116 -0.161 -3.583 1.899 1.00 0.00 H new ATOM 0 HB2 CYS A 116 1.479 -1.706 0.794 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -0.071 -2.178 0.126 1.00 0.00 H new ATOM 0 HG CYS A 116 0.579 0.772 0.445 1.00 0.00 H new ATOM 626 N ILE A 117 2.500 -3.108 2.397 1.00 0.00 N ATOM 627 CA ILE A 117 3.784 -3.273 3.068 1.00 0.00 C ATOM 628 C ILE A 117 4.729 -2.124 2.731 1.00 0.00 C ATOM 629 O ILE A 117 4.922 -1.791 1.560 1.00 0.00 O ATOM 630 CB ILE A 117 4.460 -4.606 2.677 1.00 0.00 C ATOM 631 CG1 ILE A 117 3.455 -5.546 2.007 1.00 0.00 C ATOM 632 CG2 ILE A 117 5.075 -5.269 3.899 1.00 0.00 C ATOM 633 CD1 ILE A 117 3.927 -6.981 1.929 1.00 0.00 C ATOM 0 H ILE A 117 2.517 -3.319 1.399 1.00 0.00 H new ATOM 0 HA ILE A 117 3.582 -3.277 4.139 1.00 0.00 H new ATOM 0 HB ILE A 117 5.255 -4.390 1.963 1.00 0.00 H new ATOM 0 HG12 ILE A 117 2.515 -5.511 2.557 1.00 0.00 H new ATOM 0 HG13 ILE A 117 3.248 -5.185 0.999 1.00 0.00 H new ATOM 0 HG21 ILE A 117 5.547 -6.207 3.605 1.00 0.00 H new ATOM 0 HG22 ILE A 117 5.823 -4.607 4.334 1.00 0.00 H new ATOM 0 HG23 ILE A 117 4.296 -5.470 4.635 1.00 0.00 H new ATOM 0 HD11 ILE A 117 3.164 -7.589 1.443 1.00 0.00 H new ATOM 0 HD12 ILE A 117 4.851 -7.029 1.353 1.00 0.00 H new ATOM 0 HD13 ILE A 117 4.106 -7.360 2.935 1.00 0.00 H new ATOM 645 N VAL A 118 5.312 -1.517 3.761 1.00 0.00 N ATOM 646 CA VAL A 118 6.233 -0.402 3.567 1.00 0.00 C ATOM 647 C VAL A 118 7.596 -0.684 4.193 1.00 0.00 C ATOM 648 O VAL A 118 7.773 -0.551 5.404 1.00 0.00 O ATOM 649 CB VAL A 118 5.668 0.901 4.165 1.00 0.00 C ATOM 650 CG1 VAL A 118 6.453 2.103 3.666 1.00 0.00 C ATOM 651 CG2 VAL A 118 4.191 1.044 3.834 1.00 0.00 C ATOM 0 H VAL A 118 5.163 -1.778 4.736 1.00 0.00 H new ATOM 0 HA VAL A 118 6.354 -0.282 2.490 1.00 0.00 H new ATOM 0 HB VAL A 118 5.771 0.855 5.249 1.00 0.00 H new ATOM 0 HG11 VAL A 118 6.039 3.013 4.099 1.00 0.00 H new ATOM 0 HG12 VAL A 118 7.498 2.003 3.961 1.00 0.00 H new ATOM 0 HG13 VAL A 118 6.386 2.156 2.579 1.00 0.00 H new ATOM 0 HG21 VAL A 118 3.810 1.970 4.265 1.00 0.00 H new ATOM 0 HG22 VAL A 118 4.061 1.066 2.752 1.00 0.00 H new ATOM 0 HG23 VAL A 118 3.642 0.198 4.248 1.00 0.00 H new ATOM 661 N GLU A 119 8.559 -1.067 3.358 1.00 0.00 N ATOM 662 CA GLU A 119 9.911 -1.359 3.826 1.00 0.00 C ATOM 663 C GLU A 119 10.836 -0.176 3.560 1.00 0.00 C ATOM 664 O GLU A 119 11.049 0.211 2.411 1.00 0.00 O ATOM 665 CB GLU A 119 10.452 -2.617 3.144 1.00 0.00 C ATOM 666 CG GLU A 119 10.300 -2.605 1.633 1.00 0.00 C ATOM 667 CD GLU A 119 11.428 -3.332 0.929 1.00 0.00 C ATOM 668 OE1 GLU A 119 11.354 -4.573 0.815 1.00 0.00 O ATOM 669 OE2 GLU A 119 12.385 -2.660 0.490 1.00 0.00 O ATOM 0 H GLU A 119 8.428 -1.182 2.353 1.00 0.00 H new ATOM 0 HA GLU A 119 9.872 -1.534 4.901 1.00 0.00 H new ATOM 0 HB2 GLU A 119 11.507 -2.730 3.393 1.00 0.00 H new ATOM 0 HB3 GLU A 119 9.935 -3.488 3.546 1.00 0.00 H new ATOM 0 HG2 GLU A 119 9.350 -3.067 1.363 1.00 0.00 H new ATOM 0 HG3 GLU A 119 10.263 -1.573 1.283 1.00 0.00 H new ATOM 676 N ALA A 120 11.375 0.403 4.630 1.00 0.00 N ATOM 677 CA ALA A 120 12.269 1.551 4.510 1.00 0.00 C ATOM 678 C ALA A 120 13.691 1.196 4.925 1.00 0.00 C ATOM 679 O ALA A 120 14.324 1.925 5.688 1.00 0.00 O ATOM 680 CB ALA A 120 11.749 2.711 5.346 1.00 0.00 C ATOM 0 H ALA A 120 11.208 0.096 5.588 1.00 0.00 H new ATOM 0 HA ALA A 120 12.293 1.849 3.462 1.00 0.00 H new ATOM 0 HB1 ALA A 120 12.424 3.561 5.248 1.00 0.00 H new ATOM 0 HB2 ALA A 120 10.756 2.994 4.997 1.00 0.00 H new ATOM 0 HB3 ALA A 120 11.694 2.410 6.392 1.00 0.00 H new ATOM 686 N MET A 121 14.185 0.071 4.416 1.00 0.00 N ATOM 687 CA MET A 121 15.535 -0.395 4.725 1.00 0.00 C ATOM 688 C MET A 121 15.625 -1.904 4.549 1.00 0.00 C ATOM 689 O MET A 121 16.620 -2.428 4.051 1.00 0.00 O ATOM 690 CB MET A 121 15.922 -0.024 6.161 1.00 0.00 C ATOM 691 CG MET A 121 14.844 -0.338 7.190 1.00 0.00 C ATOM 692 SD MET A 121 15.460 -0.259 8.882 1.00 0.00 S ATOM 693 CE MET A 121 16.970 -1.212 8.738 1.00 0.00 C ATOM 0 H MET A 121 13.667 -0.539 3.783 1.00 0.00 H new ATOM 0 HA MET A 121 16.226 0.091 4.037 1.00 0.00 H new ATOM 0 HB2 MET A 121 16.834 -0.557 6.430 1.00 0.00 H new ATOM 0 HB3 MET A 121 16.151 1.041 6.202 1.00 0.00 H new ATOM 0 HG2 MET A 121 14.020 0.366 7.074 1.00 0.00 H new ATOM 0 HG3 MET A 121 14.443 -1.333 6.999 1.00 0.00 H new ATOM 0 HE1 MET A 121 17.201 -1.674 9.698 1.00 0.00 H new ATOM 0 HE2 MET A 121 16.840 -1.988 7.983 1.00 0.00 H new ATOM 0 HE3 MET A 121 17.789 -0.555 8.445 1.00 0.00 H new ATOM 703 N LYS A 122 14.565 -2.587 4.964 1.00 0.00 N ATOM 704 CA LYS A 122 14.483 -4.040 4.871 1.00 0.00 C ATOM 705 C LYS A 122 13.237 -4.540 5.592 1.00 0.00 C ATOM 706 O LYS A 122 12.672 -5.574 5.236 1.00 0.00 O ATOM 707 CB LYS A 122 15.727 -4.695 5.477 1.00 0.00 C ATOM 708 CG LYS A 122 15.784 -4.603 6.993 1.00 0.00 C ATOM 709 CD LYS A 122 15.320 -5.894 7.648 1.00 0.00 C ATOM 710 CE LYS A 122 16.496 -6.757 8.075 1.00 0.00 C ATOM 711 NZ LYS A 122 16.525 -6.965 9.520 1.00 0.00 N ATOM 0 H LYS A 122 13.739 -2.150 5.374 1.00 0.00 H new ATOM 0 HA LYS A 122 14.425 -4.312 3.817 1.00 0.00 H new ATOM 0 HB2 LYS A 122 15.755 -5.744 5.183 1.00 0.00 H new ATOM 0 HB3 LYS A 122 16.616 -4.223 5.059 1.00 0.00 H new ATOM 0 HG2 LYS A 122 16.804 -4.381 7.307 1.00 0.00 H new ATOM 0 HG3 LYS A 122 15.159 -3.777 7.332 1.00 0.00 H new ATOM 0 HD2 LYS A 122 14.704 -5.661 8.517 1.00 0.00 H new ATOM 0 HD3 LYS A 122 14.693 -6.451 6.952 1.00 0.00 H new ATOM 0 HE2 LYS A 122 16.440 -7.722 7.571 1.00 0.00 H new ATOM 0 HE3 LYS A 122 17.426 -6.285 7.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 17.342 -7.558 9.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 16.605 -6.047 10.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 15.649 -7.438 9.820 1.00 0.00 H new ATOM 722 N MET A 123 12.810 -3.788 6.603 1.00 0.00 N ATOM 723 CA MET A 123 11.628 -4.140 7.371 1.00 0.00 C ATOM 724 C MET A 123 10.428 -3.366 6.858 1.00 0.00 C ATOM 725 O MET A 123 10.471 -2.140 6.742 1.00 0.00 O ATOM 726 CB MET A 123 11.842 -3.842 8.852 1.00 0.00 C ATOM 727 CG MET A 123 12.726 -4.858 9.557 1.00 0.00 C ATOM 728 SD MET A 123 12.006 -5.451 11.101 1.00 0.00 S ATOM 729 CE MET A 123 12.980 -4.543 12.300 1.00 0.00 C ATOM 0 H MET A 123 13.269 -2.929 6.907 1.00 0.00 H new ATOM 0 HA MET A 123 11.444 -5.208 7.254 1.00 0.00 H new ATOM 0 HB2 MET A 123 12.288 -2.853 8.954 1.00 0.00 H new ATOM 0 HB3 MET A 123 10.873 -3.808 9.351 1.00 0.00 H new ATOM 0 HG2 MET A 123 12.901 -5.705 8.893 1.00 0.00 H new ATOM 0 HG3 MET A 123 13.697 -4.408 9.763 1.00 0.00 H new ATOM 0 HE1 MET A 123 12.653 -4.803 13.307 1.00 0.00 H new ATOM 0 HE2 MET A 123 14.033 -4.800 12.183 1.00 0.00 H new ATOM 0 HE3 MET A 123 12.848 -3.473 12.141 1.00 0.00 H new ATOM 739 N MET A 124 9.365 -4.088 6.545 1.00 0.00 N ATOM 740 CA MET A 124 8.152 -3.474 6.026 1.00 0.00 C ATOM 741 C MET A 124 7.158 -3.179 7.142 1.00 0.00 C ATOM 742 O MET A 124 7.152 -3.841 8.179 1.00 0.00 O ATOM 743 CB MET A 124 7.506 -4.386 4.982 1.00 0.00 C ATOM 744 CG MET A 124 8.505 -5.248 4.225 1.00 0.00 C ATOM 745 SD MET A 124 8.258 -7.012 4.512 1.00 0.00 S ATOM 746 CE MET A 124 9.954 -7.577 4.629 1.00 0.00 C ATOM 0 H MET A 124 9.317 -5.102 6.641 1.00 0.00 H new ATOM 0 HA MET A 124 8.429 -2.528 5.560 1.00 0.00 H new ATOM 0 HB2 MET A 124 6.781 -5.033 5.476 1.00 0.00 H new ATOM 0 HB3 MET A 124 6.953 -3.774 4.269 1.00 0.00 H new ATOM 0 HG2 MET A 124 8.421 -5.042 3.158 1.00 0.00 H new ATOM 0 HG3 MET A 124 9.516 -4.973 4.524 1.00 0.00 H new ATOM 0 HE1 MET A 124 9.968 -8.652 4.806 1.00 0.00 H new ATOM 0 HE2 MET A 124 10.476 -7.356 3.698 1.00 0.00 H new ATOM 0 HE3 MET A 124 10.451 -7.067 5.454 1.00 0.00 H new ATOM 756 N ASN A 125 6.313 -2.182 6.911 1.00 0.00 N ATOM 757 CA ASN A 125 5.303 -1.792 7.882 1.00 0.00 C ATOM 758 C ASN A 125 3.910 -2.072 7.333 1.00 0.00 C ATOM 759 O ASN A 125 3.397 -1.322 6.503 1.00 0.00 O ATOM 760 CB ASN A 125 5.441 -0.309 8.232 1.00 0.00 C ATOM 761 CG ASN A 125 4.514 0.108 9.357 1.00 0.00 C ATOM 762 OD1 ASN A 125 3.755 -0.704 9.886 1.00 0.00 O ATOM 763 ND2 ASN A 125 4.572 1.382 9.728 1.00 0.00 N ATOM 0 H ASN A 125 6.309 -1.628 6.055 1.00 0.00 H new ATOM 0 HA ASN A 125 5.450 -2.379 8.789 1.00 0.00 H new ATOM 0 HB2 ASN A 125 6.472 -0.100 8.518 1.00 0.00 H new ATOM 0 HB3 ASN A 125 5.228 0.292 7.348 1.00 0.00 H new ATOM 0 HD21 ASN A 125 3.972 1.722 10.480 1.00 0.00 H new ATOM 0 HD22 ASN A 125 5.217 2.020 9.261 1.00 0.00 H new ATOM 770 N GLN A 126 3.310 -3.162 7.794 1.00 0.00 N ATOM 771 CA GLN A 126 1.978 -3.548 7.346 1.00 0.00 C ATOM 772 C GLN A 126 0.950 -2.487 7.727 1.00 0.00 C ATOM 773 O GLN A 126 0.100 -2.713 8.589 1.00 0.00 O ATOM 774 CB GLN A 126 1.582 -4.902 7.942 1.00 0.00 C ATOM 775 CG GLN A 126 2.766 -5.798 8.269 1.00 0.00 C ATOM 776 CD GLN A 126 3.181 -5.707 9.724 1.00 0.00 C ATOM 777 OE1 GLN A 126 3.571 -4.644 10.206 1.00 0.00 O ATOM 778 NE2 GLN A 126 3.100 -6.827 10.433 1.00 0.00 N ATOM 0 H GLN A 126 3.725 -3.795 8.478 1.00 0.00 H new ATOM 0 HA GLN A 126 1.999 -3.635 6.260 1.00 0.00 H new ATOM 0 HB2 GLN A 126 1.004 -4.733 8.851 1.00 0.00 H new ATOM 0 HB3 GLN A 126 0.929 -5.420 7.240 1.00 0.00 H new ATOM 0 HG2 GLN A 126 2.512 -6.831 8.031 1.00 0.00 H new ATOM 0 HG3 GLN A 126 3.610 -5.524 7.636 1.00 0.00 H new ATOM 0 HE21 GLN A 126 2.771 -7.686 9.993 1.00 0.00 H new ATOM 0 HE22 GLN A 126 3.367 -6.828 11.418 1.00 0.00 H new ATOM 787 N ILE A 127 1.039 -1.330 7.080 1.00 0.00 N ATOM 788 CA ILE A 127 0.120 -0.229 7.347 1.00 0.00 C ATOM 789 C ILE A 127 -1.288 -0.743 7.622 1.00 0.00 C ATOM 790 O ILE A 127 -1.711 -1.755 7.064 1.00 0.00 O ATOM 791 CB ILE A 127 0.071 0.763 6.169 1.00 0.00 C ATOM 792 CG1 ILE A 127 1.486 1.148 5.731 1.00 0.00 C ATOM 793 CG2 ILE A 127 -0.726 2.002 6.551 1.00 0.00 C ATOM 794 CD1 ILE A 127 2.348 1.673 6.858 1.00 0.00 C ATOM 0 H ILE A 127 1.739 -1.130 6.366 1.00 0.00 H new ATOM 0 HA ILE A 127 0.495 0.287 8.231 1.00 0.00 H new ATOM 0 HB ILE A 127 -0.427 0.278 5.330 1.00 0.00 H new ATOM 0 HG12 ILE A 127 1.970 0.277 5.290 1.00 0.00 H new ATOM 0 HG13 ILE A 127 1.422 1.906 4.950 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -0.751 2.693 5.708 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -1.744 1.713 6.814 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -0.255 2.489 7.405 1.00 0.00 H new ATOM 0 HD11 ILE A 127 3.336 1.925 6.473 1.00 0.00 H new ATOM 0 HD12 ILE A 127 1.886 2.564 7.285 1.00 0.00 H new ATOM 0 HD13 ILE A 127 2.443 0.909 7.629 1.00 0.00 H new ATOM 806 N GLU A 128 -2.011 -0.035 8.484 1.00 0.00 N ATOM 807 CA GLU A 128 -3.376 -0.418 8.832 1.00 0.00 C ATOM 808 C GLU A 128 -4.368 0.649 8.382 1.00 0.00 C ATOM 809 O GLU A 128 -4.203 1.831 8.682 1.00 0.00 O ATOM 810 CB GLU A 128 -3.497 -0.641 10.340 1.00 0.00 C ATOM 811 CG GLU A 128 -3.032 0.543 11.172 1.00 0.00 C ATOM 812 CD GLU A 128 -3.264 0.338 12.656 1.00 0.00 C ATOM 813 OE1 GLU A 128 -2.824 -0.703 13.188 1.00 0.00 O ATOM 814 OE2 GLU A 128 -3.886 1.219 13.286 1.00 0.00 O ATOM 0 H GLU A 128 -1.676 0.806 8.954 1.00 0.00 H new ATOM 0 HA GLU A 128 -3.610 -1.349 8.316 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -4.537 -0.859 10.584 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -2.914 -1.519 10.616 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -1.970 0.713 10.994 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -3.558 1.441 10.846 1.00 0.00 H new ATOM 821 N ALA A 129 -5.400 0.222 7.662 1.00 0.00 N ATOM 822 CA ALA A 129 -6.422 1.139 7.171 1.00 0.00 C ATOM 823 C ALA A 129 -6.688 2.256 8.172 1.00 0.00 C ATOM 824 O ALA A 129 -7.152 2.009 9.286 1.00 0.00 O ATOM 825 CB ALA A 129 -7.708 0.383 6.871 1.00 0.00 C ATOM 0 H ALA A 129 -5.551 -0.754 7.405 1.00 0.00 H new ATOM 0 HA ALA A 129 -6.054 1.592 6.251 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -8.463 1.079 6.505 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -7.516 -0.375 6.112 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -8.068 -0.097 7.781 1.00 0.00 H new ATOM 831 N ASP A 130 -6.392 3.488 7.770 1.00 0.00 N ATOM 832 CA ASP A 130 -6.603 4.644 8.634 1.00 0.00 C ATOM 833 C ASP A 130 -8.023 5.179 8.483 1.00 0.00 C ATOM 834 O ASP A 130 -8.478 5.998 9.281 1.00 0.00 O ATOM 835 CB ASP A 130 -5.592 5.744 8.305 1.00 0.00 C ATOM 836 CG ASP A 130 -5.797 6.323 6.920 1.00 0.00 C ATOM 837 OD1 ASP A 130 -5.269 5.741 5.949 1.00 0.00 O ATOM 838 OD2 ASP A 130 -6.487 7.359 6.805 1.00 0.00 O ATOM 0 H ASP A 130 -6.006 3.711 6.853 1.00 0.00 H new ATOM 0 HA ASP A 130 -6.460 4.328 9.667 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -5.673 6.541 9.044 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -4.582 5.340 8.381 1.00 0.00 H new ATOM 843 N LYS A 131 -8.719 4.709 7.451 1.00 0.00 N ATOM 844 CA LYS A 131 -10.087 5.138 7.194 1.00 0.00 C ATOM 845 C LYS A 131 -10.695 4.345 6.041 1.00 0.00 C ATOM 846 O LYS A 131 -10.123 4.273 4.954 1.00 0.00 O ATOM 847 CB LYS A 131 -10.123 6.634 6.873 1.00 0.00 C ATOM 848 CG LYS A 131 -9.824 6.952 5.417 1.00 0.00 C ATOM 849 CD LYS A 131 -10.088 8.415 5.101 1.00 0.00 C ATOM 850 CE LYS A 131 -11.479 8.837 5.545 1.00 0.00 C ATOM 851 NZ LYS A 131 -11.488 9.334 6.948 1.00 0.00 N ATOM 0 H LYS A 131 -8.356 4.031 6.780 1.00 0.00 H new ATOM 0 HA LYS A 131 -10.676 4.952 8.092 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -11.107 7.028 7.127 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -9.400 7.150 7.505 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -8.783 6.713 5.198 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -10.438 6.323 4.773 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -9.342 9.036 5.597 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -9.980 8.582 4.029 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -11.851 9.618 4.881 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -12.161 7.991 5.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -12.173 8.786 7.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -10.540 9.225 7.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -11.757 10.338 6.959 1.00 0.00 H new ATOM 865 N SER A 132 -11.855 3.749 6.288 1.00 0.00 N ATOM 866 CA SER A 132 -12.539 2.961 5.269 1.00 0.00 C ATOM 867 C SER A 132 -12.471 3.655 3.912 1.00 0.00 C ATOM 868 O SER A 132 -12.868 4.812 3.775 1.00 0.00 O ATOM 869 CB SER A 132 -13.996 2.728 5.666 1.00 0.00 C ATOM 870 OG SER A 132 -14.771 2.320 4.553 1.00 0.00 O ATOM 0 H SER A 132 -12.341 3.796 7.183 1.00 0.00 H new ATOM 0 HA SER A 132 -12.036 1.997 5.190 1.00 0.00 H new ATOM 0 HB2 SER A 132 -14.046 1.968 6.446 1.00 0.00 H new ATOM 0 HB3 SER A 132 -14.412 3.644 6.086 1.00 0.00 H new ATOM 0 HG SER A 132 -15.698 2.176 4.835 1.00 0.00 H new ATOM 876 N GLY A 133 -11.963 2.941 2.913 1.00 0.00 N ATOM 877 CA GLY A 133 -11.849 3.505 1.581 1.00 0.00 C ATOM 878 C GLY A 133 -11.907 2.448 0.495 1.00 0.00 C ATOM 879 O GLY A 133 -11.969 1.254 0.784 1.00 0.00 O ATOM 0 H GLY A 133 -11.628 1.982 3.002 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -12.652 4.226 1.425 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -10.910 4.052 1.501 1.00 0.00 H new ATOM 883 N THR A 134 -11.892 2.891 -0.757 1.00 0.00 N ATOM 884 CA THR A 134 -11.947 1.976 -1.892 1.00 0.00 C ATOM 885 C THR A 134 -10.778 2.204 -2.844 1.00 0.00 C ATOM 886 O THR A 134 -10.737 3.203 -3.560 1.00 0.00 O ATOM 887 CB THR A 134 -13.260 2.158 -2.649 1.00 0.00 C ATOM 888 OG1 THR A 134 -14.359 2.173 -1.754 1.00 0.00 O ATOM 889 CG2 THR A 134 -13.514 1.074 -3.672 1.00 0.00 C ATOM 0 H THR A 134 -11.842 3.877 -1.012 1.00 0.00 H new ATOM 0 HA THR A 134 -11.884 0.960 -1.504 1.00 0.00 H new ATOM 0 HB THR A 134 -13.164 3.111 -3.169 1.00 0.00 H new ATOM 0 HG1 THR A 134 -15.190 2.292 -2.259 1.00 0.00 H new ATOM 0 HG21 THR A 134 -14.463 1.263 -4.174 1.00 0.00 H new ATOM 0 HG22 THR A 134 -12.709 1.071 -4.407 1.00 0.00 H new ATOM 0 HG23 THR A 134 -13.554 0.105 -3.174 1.00 0.00 H new ATOM 897 N VAL A 135 -9.834 1.269 -2.859 1.00 0.00 N ATOM 898 CA VAL A 135 -8.678 1.378 -3.739 1.00 0.00 C ATOM 899 C VAL A 135 -9.105 1.817 -5.134 1.00 0.00 C ATOM 900 O VAL A 135 -10.181 1.448 -5.606 1.00 0.00 O ATOM 901 CB VAL A 135 -7.917 0.045 -3.843 1.00 0.00 C ATOM 902 CG1 VAL A 135 -6.601 0.241 -4.579 1.00 0.00 C ATOM 903 CG2 VAL A 135 -7.681 -0.544 -2.460 1.00 0.00 C ATOM 0 H VAL A 135 -9.847 0.433 -2.275 1.00 0.00 H new ATOM 0 HA VAL A 135 -8.015 2.126 -3.305 1.00 0.00 H new ATOM 0 HB VAL A 135 -8.525 -0.658 -4.412 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -6.075 -0.712 -4.644 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -6.798 0.616 -5.583 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -5.985 0.959 -4.038 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -7.142 -1.487 -2.553 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -7.093 0.153 -1.863 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -8.639 -0.721 -1.972 1.00 0.00 H new ATOM 913 N LYS A 136 -8.267 2.613 -5.788 1.00 0.00 N ATOM 914 CA LYS A 136 -8.576 3.101 -7.122 1.00 0.00 C ATOM 915 C LYS A 136 -7.478 2.733 -8.112 1.00 0.00 C ATOM 916 O LYS A 136 -7.696 2.749 -9.324 1.00 0.00 O ATOM 917 CB LYS A 136 -8.768 4.617 -7.088 1.00 0.00 C ATOM 918 CG LYS A 136 -9.922 5.056 -6.205 1.00 0.00 C ATOM 919 CD LYS A 136 -9.994 6.570 -6.089 1.00 0.00 C ATOM 920 CE LYS A 136 -10.103 7.229 -7.454 1.00 0.00 C ATOM 921 NZ LYS A 136 -11.084 8.349 -7.451 1.00 0.00 N ATOM 0 H LYS A 136 -7.372 2.932 -5.416 1.00 0.00 H new ATOM 0 HA LYS A 136 -9.500 2.627 -7.454 1.00 0.00 H new ATOM 0 HB2 LYS A 136 -7.850 5.085 -6.733 1.00 0.00 H new ATOM 0 HB3 LYS A 136 -8.938 4.978 -8.102 1.00 0.00 H new ATOM 0 HG2 LYS A 136 -10.858 4.677 -6.614 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -9.808 4.620 -5.213 1.00 0.00 H new ATOM 0 HD2 LYS A 136 -10.854 6.849 -5.480 1.00 0.00 H new ATOM 0 HD3 LYS A 136 -9.106 6.939 -5.575 1.00 0.00 H new ATOM 0 HE2 LYS A 136 -9.125 7.603 -7.756 1.00 0.00 H new ATOM 0 HE3 LYS A 136 -10.402 6.486 -8.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 -10.825 9.039 -8.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 -12.036 7.977 -7.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 -11.077 8.814 -6.521 1.00 0.00 H new ATOM 935 N ALA A 137 -6.299 2.401 -7.595 1.00 0.00 N ATOM 936 CA ALA A 137 -5.181 2.033 -8.452 1.00 0.00 C ATOM 937 C ALA A 137 -3.854 2.096 -7.703 1.00 0.00 C ATOM 938 O ALA A 137 -3.747 2.735 -6.656 1.00 0.00 O ATOM 939 CB ALA A 137 -5.145 2.946 -9.664 1.00 0.00 C ATOM 0 H ALA A 137 -6.095 2.380 -6.596 1.00 0.00 H new ATOM 0 HA ALA A 137 -5.326 1.002 -8.776 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -4.307 2.668 -10.304 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -6.076 2.847 -10.222 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -5.026 3.979 -9.338 1.00 0.00 H new ATOM 945 N ILE A 138 -2.842 1.431 -8.254 1.00 0.00 N ATOM 946 CA ILE A 138 -1.516 1.410 -7.648 1.00 0.00 C ATOM 947 C ILE A 138 -0.513 2.171 -8.508 1.00 0.00 C ATOM 948 O ILE A 138 0.189 1.581 -9.329 1.00 0.00 O ATOM 949 CB ILE A 138 -1.011 -0.032 -7.444 1.00 0.00 C ATOM 950 CG1 ILE A 138 -2.190 -1.003 -7.358 1.00 0.00 C ATOM 951 CG2 ILE A 138 -0.154 -0.119 -6.192 1.00 0.00 C ATOM 952 CD1 ILE A 138 -2.929 -0.940 -6.040 1.00 0.00 C ATOM 0 H ILE A 138 -2.916 0.899 -9.121 1.00 0.00 H new ATOM 0 HA ILE A 138 -1.603 1.894 -6.675 1.00 0.00 H new ATOM 0 HB ILE A 138 -0.398 -0.311 -8.301 1.00 0.00 H new ATOM 0 HG12 ILE A 138 -2.888 -0.787 -8.167 1.00 0.00 H new ATOM 0 HG13 ILE A 138 -1.826 -2.019 -7.513 1.00 0.00 H new ATOM 0 HG21 ILE A 138 0.196 -1.143 -6.061 1.00 0.00 H new ATOM 0 HG22 ILE A 138 0.703 0.547 -6.291 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -0.745 0.176 -5.325 1.00 0.00 H new ATOM 0 HD11 ILE A 138 -3.752 -1.655 -6.050 1.00 0.00 H new ATOM 0 HD12 ILE A 138 -2.245 -1.185 -5.227 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -3.323 0.065 -5.892 1.00 0.00 H new ATOM 964 N LEU A 139 -0.455 3.485 -8.319 1.00 0.00 N ATOM 965 CA LEU A 139 0.459 4.329 -9.080 1.00 0.00 C ATOM 966 C LEU A 139 1.870 3.754 -9.069 1.00 0.00 C ATOM 967 O LEU A 139 2.581 3.809 -10.073 1.00 0.00 O ATOM 968 CB LEU A 139 0.470 5.748 -8.509 1.00 0.00 C ATOM 969 CG LEU A 139 -0.910 6.338 -8.219 1.00 0.00 C ATOM 970 CD1 LEU A 139 -0.821 7.846 -8.046 1.00 0.00 C ATOM 971 CD2 LEU A 139 -1.884 5.982 -9.332 1.00 0.00 C ATOM 0 H LEU A 139 -1.031 3.989 -7.645 1.00 0.00 H new ATOM 0 HA LEU A 139 0.109 4.361 -10.112 1.00 0.00 H new ATOM 0 HB2 LEU A 139 1.050 5.748 -7.586 1.00 0.00 H new ATOM 0 HB3 LEU A 139 0.988 6.402 -9.211 1.00 0.00 H new ATOM 0 HG LEU A 139 -1.280 5.909 -7.288 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -1.813 8.248 -7.840 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -0.156 8.078 -7.214 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -0.430 8.295 -8.959 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -2.862 6.410 -9.110 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -1.519 6.383 -10.277 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -1.970 4.898 -9.407 1.00 0.00 H new ATOM 983 N VAL A 140 2.272 3.204 -7.929 1.00 0.00 N ATOM 984 CA VAL A 140 3.601 2.621 -7.790 1.00 0.00 C ATOM 985 C VAL A 140 3.631 1.190 -8.313 1.00 0.00 C ATOM 986 O VAL A 140 2.665 0.441 -8.162 1.00 0.00 O ATOM 987 CB VAL A 140 4.065 2.633 -6.323 1.00 0.00 C ATOM 988 CG1 VAL A 140 5.311 1.778 -6.147 1.00 0.00 C ATOM 989 CG2 VAL A 140 4.317 4.059 -5.859 1.00 0.00 C ATOM 0 H VAL A 140 1.697 3.150 -7.088 1.00 0.00 H new ATOM 0 HA VAL A 140 4.281 3.233 -8.383 1.00 0.00 H new ATOM 0 HB VAL A 140 3.274 2.207 -5.706 1.00 0.00 H new ATOM 0 HG11 VAL A 140 5.623 1.800 -5.103 1.00 0.00 H new ATOM 0 HG12 VAL A 140 5.092 0.751 -6.439 1.00 0.00 H new ATOM 0 HG13 VAL A 140 6.113 2.170 -6.773 1.00 0.00 H new ATOM 0 HG21 VAL A 140 4.645 4.051 -4.819 1.00 0.00 H new ATOM 0 HG22 VAL A 140 5.090 4.512 -6.479 1.00 0.00 H new ATOM 0 HG23 VAL A 140 3.397 4.638 -5.945 1.00 0.00 H new ATOM 999 N GLU A 141 4.747 0.817 -8.930 1.00 0.00 N ATOM 1000 CA GLU A 141 4.904 -0.524 -9.477 1.00 0.00 C ATOM 1001 C GLU A 141 5.131 -1.542 -8.371 1.00 0.00 C ATOM 1002 O GLU A 141 6.258 -1.976 -8.135 1.00 0.00 O ATOM 1003 CB GLU A 141 6.063 -0.562 -10.467 1.00 0.00 C ATOM 1004 CG GLU A 141 5.615 -0.413 -11.907 1.00 0.00 C ATOM 1005 CD GLU A 141 6.769 -0.459 -12.888 1.00 0.00 C ATOM 1006 OE1 GLU A 141 7.870 -0.897 -12.490 1.00 0.00 O ATOM 1007 OE2 GLU A 141 6.574 -0.058 -14.054 1.00 0.00 O ATOM 0 H GLU A 141 5.555 1.425 -9.063 1.00 0.00 H new ATOM 0 HA GLU A 141 3.983 -0.784 -9.998 1.00 0.00 H new ATOM 0 HB2 GLU A 141 6.766 0.236 -10.226 1.00 0.00 H new ATOM 0 HB3 GLU A 141 6.599 -1.504 -10.354 1.00 0.00 H new ATOM 0 HG2 GLU A 141 4.908 -1.207 -12.147 1.00 0.00 H new ATOM 0 HG3 GLU A 141 5.084 0.532 -12.022 1.00 0.00 H new ATOM 1014 N SER A 142 4.040 -1.912 -7.707 1.00 0.00 N ATOM 1015 CA SER A 142 4.070 -2.882 -6.613 1.00 0.00 C ATOM 1016 C SER A 142 5.466 -2.995 -5.990 1.00 0.00 C ATOM 1017 O SER A 142 5.960 -2.039 -5.395 1.00 0.00 O ATOM 1018 CB SER A 142 3.585 -4.247 -7.105 1.00 0.00 C ATOM 1019 OG SER A 142 4.206 -4.599 -8.329 1.00 0.00 O ATOM 0 H SER A 142 3.109 -1.549 -7.911 1.00 0.00 H new ATOM 0 HA SER A 142 3.396 -2.526 -5.833 1.00 0.00 H new ATOM 0 HB2 SER A 142 3.801 -5.006 -6.353 1.00 0.00 H new ATOM 0 HB3 SER A 142 2.503 -4.226 -7.235 1.00 0.00 H new ATOM 0 HG SER A 142 3.880 -5.476 -8.621 1.00 0.00 H new ATOM 1025 N GLY A 143 6.099 -4.161 -6.127 1.00 0.00 N ATOM 1026 CA GLY A 143 7.419 -4.359 -5.567 1.00 0.00 C ATOM 1027 C GLY A 143 8.460 -3.446 -6.170 1.00 0.00 C ATOM 1028 O GLY A 143 9.220 -3.854 -7.049 1.00 0.00 O ATOM 0 H GLY A 143 5.717 -4.970 -6.617 1.00 0.00 H new ATOM 0 HA2 GLY A 143 7.379 -4.194 -4.490 1.00 0.00 H new ATOM 0 HA3 GLY A 143 7.721 -5.395 -5.720 1.00 0.00 H new ATOM 1032 N GLN A 144 8.505 -2.208 -5.693 1.00 0.00 N ATOM 1033 CA GLN A 144 9.475 -1.245 -6.195 1.00 0.00 C ATOM 1034 C GLN A 144 9.726 -0.129 -5.186 1.00 0.00 C ATOM 1035 O GLN A 144 8.818 0.302 -4.477 1.00 0.00 O ATOM 1036 CB GLN A 144 9.002 -0.655 -7.526 1.00 0.00 C ATOM 1037 CG GLN A 144 7.916 0.397 -7.376 1.00 0.00 C ATOM 1038 CD GLN A 144 8.169 1.623 -8.231 1.00 0.00 C ATOM 1039 OE1 GLN A 144 8.262 1.532 -9.455 1.00 0.00 O ATOM 1040 NE2 GLN A 144 8.284 2.779 -7.589 1.00 0.00 N ATOM 0 H GLN A 144 7.886 -1.850 -4.965 1.00 0.00 H new ATOM 0 HA GLN A 144 10.415 -1.773 -6.354 1.00 0.00 H new ATOM 0 HB2 GLN A 144 9.855 -0.213 -8.041 1.00 0.00 H new ATOM 0 HB3 GLN A 144 8.630 -1.461 -8.159 1.00 0.00 H new ATOM 0 HG2 GLN A 144 6.954 -0.038 -7.647 1.00 0.00 H new ATOM 0 HG3 GLN A 144 7.847 0.696 -6.330 1.00 0.00 H new ATOM 0 HE21 GLN A 144 8.200 2.809 -6.573 1.00 0.00 H new ATOM 0 HE22 GLN A 144 8.456 3.638 -8.112 1.00 0.00 H new ATOM 1049 N PRO A 145 10.978 0.350 -5.112 1.00 0.00 N ATOM 1050 CA PRO A 145 11.371 1.420 -4.186 1.00 0.00 C ATOM 1051 C PRO A 145 10.641 2.729 -4.462 1.00 0.00 C ATOM 1052 O PRO A 145 10.252 3.010 -5.596 1.00 0.00 O ATOM 1053 CB PRO A 145 12.876 1.583 -4.435 1.00 0.00 C ATOM 1054 CG PRO A 145 13.112 0.993 -5.783 1.00 0.00 C ATOM 1055 CD PRO A 145 12.111 -0.117 -5.926 1.00 0.00 C ATOM 0 HA PRO A 145 11.123 1.169 -3.155 1.00 0.00 H new ATOM 0 HB2 PRO A 145 13.169 2.633 -4.407 1.00 0.00 H new ATOM 0 HB3 PRO A 145 13.460 1.069 -3.672 1.00 0.00 H new ATOM 0 HG2 PRO A 145 12.981 1.741 -6.565 1.00 0.00 H new ATOM 0 HG3 PRO A 145 14.130 0.615 -5.871 1.00 0.00 H new ATOM 0 HD2 PRO A 145 11.824 -0.270 -6.966 1.00 0.00 H new ATOM 0 HD3 PRO A 145 12.506 -1.065 -5.562 1.00 0.00 H new ATOM 1063 N VAL A 146 10.462 3.525 -3.414 1.00 0.00 N ATOM 1064 CA VAL A 146 9.781 4.807 -3.532 1.00 0.00 C ATOM 1065 C VAL A 146 10.411 5.844 -2.609 1.00 0.00 C ATOM 1066 O VAL A 146 11.442 5.589 -1.985 1.00 0.00 O ATOM 1067 CB VAL A 146 8.284 4.679 -3.199 1.00 0.00 C ATOM 1068 CG1 VAL A 146 7.567 3.861 -4.261 1.00 0.00 C ATOM 1069 CG2 VAL A 146 8.094 4.060 -1.822 1.00 0.00 C ATOM 0 H VAL A 146 10.780 3.303 -2.471 1.00 0.00 H new ATOM 0 HA VAL A 146 9.886 5.132 -4.567 1.00 0.00 H new ATOM 0 HB VAL A 146 7.848 5.678 -3.187 1.00 0.00 H new ATOM 0 HG11 VAL A 146 6.510 3.782 -4.007 1.00 0.00 H new ATOM 0 HG12 VAL A 146 7.672 4.350 -5.229 1.00 0.00 H new ATOM 0 HG13 VAL A 146 8.004 2.864 -4.309 1.00 0.00 H new ATOM 0 HG21 VAL A 146 7.029 3.977 -1.604 1.00 0.00 H new ATOM 0 HG22 VAL A 146 8.546 3.068 -1.803 1.00 0.00 H new ATOM 0 HG23 VAL A 146 8.570 4.690 -1.071 1.00 0.00 H new ATOM 1079 N GLU A 147 9.787 7.013 -2.525 1.00 0.00 N ATOM 1080 CA GLU A 147 10.290 8.087 -1.676 1.00 0.00 C ATOM 1081 C GLU A 147 9.148 8.961 -1.171 1.00 0.00 C ATOM 1082 O GLU A 147 8.130 9.118 -1.845 1.00 0.00 O ATOM 1083 CB GLU A 147 11.300 8.941 -2.445 1.00 0.00 C ATOM 1084 CG GLU A 147 11.223 8.767 -3.953 1.00 0.00 C ATOM 1085 CD GLU A 147 12.292 9.554 -4.685 1.00 0.00 C ATOM 1086 OE1 GLU A 147 12.040 10.731 -5.017 1.00 0.00 O ATOM 1087 OE2 GLU A 147 13.382 8.993 -4.926 1.00 0.00 O ATOM 0 H GLU A 147 8.933 7.242 -3.034 1.00 0.00 H new ATOM 0 HA GLU A 147 10.785 7.636 -0.816 1.00 0.00 H new ATOM 0 HB2 GLU A 147 11.136 9.990 -2.200 1.00 0.00 H new ATOM 0 HB3 GLU A 147 12.306 8.689 -2.110 1.00 0.00 H new ATOM 0 HG2 GLU A 147 11.323 7.710 -4.199 1.00 0.00 H new ATOM 0 HG3 GLU A 147 10.240 9.084 -4.302 1.00 0.00 H new ATOM 1094 N PHE A 148 9.326 9.528 0.019 1.00 0.00 N ATOM 1095 CA PHE A 148 8.312 10.389 0.620 1.00 0.00 C ATOM 1096 C PHE A 148 7.575 11.190 -0.452 1.00 0.00 C ATOM 1097 O PHE A 148 8.193 11.900 -1.244 1.00 0.00 O ATOM 1098 CB PHE A 148 8.956 11.338 1.633 1.00 0.00 C ATOM 1099 CG PHE A 148 8.001 11.833 2.681 1.00 0.00 C ATOM 1100 CD1 PHE A 148 6.889 12.587 2.328 1.00 0.00 C ATOM 1101 CD2 PHE A 148 8.215 11.543 4.025 1.00 0.00 C ATOM 1102 CE1 PHE A 148 6.006 13.045 3.294 1.00 0.00 C ATOM 1103 CE2 PHE A 148 7.335 11.997 4.996 1.00 0.00 C ATOM 1104 CZ PHE A 148 6.230 12.749 4.629 1.00 0.00 C ATOM 0 H PHE A 148 10.164 9.406 0.587 1.00 0.00 H new ATOM 0 HA PHE A 148 7.589 9.756 1.135 1.00 0.00 H new ATOM 0 HB2 PHE A 148 9.786 10.827 2.121 1.00 0.00 H new ATOM 0 HB3 PHE A 148 9.376 12.193 1.102 1.00 0.00 H new ATOM 0 HD1 PHE A 148 6.710 12.819 1.289 1.00 0.00 H new ATOM 0 HD2 PHE A 148 9.075 10.958 4.315 1.00 0.00 H new ATOM 0 HE1 PHE A 148 5.146 13.631 3.007 1.00 0.00 H new ATOM 0 HE2 PHE A 148 7.510 11.765 6.036 1.00 0.00 H new ATOM 0 HZ PHE A 148 5.544 13.104 5.383 1.00 0.00 H new ATOM 1114 N ASP A 149 6.252 11.061 -0.473 1.00 0.00 N ATOM 1115 CA ASP A 149 5.432 11.766 -1.453 1.00 0.00 C ATOM 1116 C ASP A 149 5.376 10.990 -2.762 1.00 0.00 C ATOM 1117 O ASP A 149 5.193 11.569 -3.834 1.00 0.00 O ATOM 1118 CB ASP A 149 5.984 13.171 -1.699 1.00 0.00 C ATOM 1119 CG ASP A 149 4.932 14.118 -2.242 1.00 0.00 C ATOM 1120 OD1 ASP A 149 3.742 13.937 -1.911 1.00 0.00 O ATOM 1121 OD2 ASP A 149 5.299 15.042 -2.999 1.00 0.00 O ATOM 0 H ASP A 149 5.725 10.476 0.176 1.00 0.00 H new ATOM 0 HA ASP A 149 4.421 11.851 -1.055 1.00 0.00 H new ATOM 0 HB2 ASP A 149 6.382 13.571 -0.766 1.00 0.00 H new ATOM 0 HB3 ASP A 149 6.815 13.114 -2.402 1.00 0.00 H new ATOM 1126 N GLU A 150 5.537 9.675 -2.665 1.00 0.00 N ATOM 1127 CA GLU A 150 5.507 8.813 -3.839 1.00 0.00 C ATOM 1128 C GLU A 150 4.253 7.945 -3.845 1.00 0.00 C ATOM 1129 O GLU A 150 4.317 6.742 -3.593 1.00 0.00 O ATOM 1130 CB GLU A 150 6.753 7.927 -3.879 1.00 0.00 C ATOM 1131 CG GLU A 150 6.816 7.021 -5.097 1.00 0.00 C ATOM 1132 CD GLU A 150 6.981 7.795 -6.390 1.00 0.00 C ATOM 1133 OE1 GLU A 150 7.595 8.883 -6.356 1.00 0.00 O ATOM 1134 OE2 GLU A 150 6.497 7.314 -7.436 1.00 0.00 O ATOM 0 H GLU A 150 5.690 9.183 -1.785 1.00 0.00 H new ATOM 0 HA GLU A 150 5.492 9.448 -4.724 1.00 0.00 H new ATOM 0 HB2 GLU A 150 7.640 8.561 -3.862 1.00 0.00 H new ATOM 0 HB3 GLU A 150 6.782 7.314 -2.978 1.00 0.00 H new ATOM 0 HG2 GLU A 150 7.648 6.325 -4.985 1.00 0.00 H new ATOM 0 HG3 GLU A 150 5.906 6.424 -5.149 1.00 0.00 H new ATOM 1141 N PRO A 151 3.092 8.549 -4.142 1.00 0.00 N ATOM 1142 CA PRO A 151 1.820 7.837 -4.190 1.00 0.00 C ATOM 1143 C PRO A 151 1.983 6.407 -4.696 1.00 0.00 C ATOM 1144 O PRO A 151 2.575 6.176 -5.750 1.00 0.00 O ATOM 1145 CB PRO A 151 1.017 8.680 -5.174 1.00 0.00 C ATOM 1146 CG PRO A 151 1.506 10.078 -4.964 1.00 0.00 C ATOM 1147 CD PRO A 151 2.930 9.977 -4.463 1.00 0.00 C ATOM 0 HA PRO A 151 1.352 7.729 -3.212 1.00 0.00 H new ATOM 0 HB2 PRO A 151 1.181 8.353 -6.201 1.00 0.00 H new ATOM 0 HB3 PRO A 151 -0.053 8.602 -4.981 1.00 0.00 H new ATOM 0 HG2 PRO A 151 1.463 10.645 -5.894 1.00 0.00 H new ATOM 0 HG3 PRO A 151 0.879 10.602 -4.242 1.00 0.00 H new ATOM 0 HD2 PRO A 151 3.644 10.300 -5.221 1.00 0.00 H new ATOM 0 HD3 PRO A 151 3.091 10.604 -3.586 1.00 0.00 H new ATOM 1155 N LEU A 152 1.464 5.447 -3.934 1.00 0.00 N ATOM 1156 CA LEU A 152 1.567 4.040 -4.306 1.00 0.00 C ATOM 1157 C LEU A 152 0.191 3.388 -4.418 1.00 0.00 C ATOM 1158 O LEU A 152 -0.218 2.964 -5.499 1.00 0.00 O ATOM 1159 CB LEU A 152 2.419 3.276 -3.286 1.00 0.00 C ATOM 1160 CG LEU A 152 3.330 4.137 -2.404 1.00 0.00 C ATOM 1161 CD1 LEU A 152 3.100 3.825 -0.934 1.00 0.00 C ATOM 1162 CD2 LEU A 152 4.790 3.918 -2.774 1.00 0.00 C ATOM 0 H LEU A 152 0.970 5.618 -3.058 1.00 0.00 H new ATOM 0 HA LEU A 152 2.047 3.995 -5.284 1.00 0.00 H new ATOM 0 HB2 LEU A 152 1.753 2.704 -2.640 1.00 0.00 H new ATOM 0 HB3 LEU A 152 3.038 2.557 -3.823 1.00 0.00 H new ATOM 0 HG LEU A 152 3.084 5.185 -2.575 1.00 0.00 H new ATOM 0 HD11 LEU A 152 3.756 4.446 -0.323 1.00 0.00 H new ATOM 0 HD12 LEU A 152 2.061 4.031 -0.676 1.00 0.00 H new ATOM 0 HD13 LEU A 152 3.318 2.774 -0.747 1.00 0.00 H new ATOM 0 HD21 LEU A 152 5.423 4.537 -2.138 1.00 0.00 H new ATOM 0 HD22 LEU A 152 5.048 2.869 -2.632 1.00 0.00 H new ATOM 0 HD23 LEU A 152 4.946 4.192 -3.818 1.00 0.00 H new ATOM 1174 N VAL A 153 -0.512 3.302 -3.292 1.00 0.00 N ATOM 1175 CA VAL A 153 -1.835 2.691 -3.262 1.00 0.00 C ATOM 1176 C VAL A 153 -2.930 3.748 -3.179 1.00 0.00 C ATOM 1177 O VAL A 153 -3.183 4.316 -2.116 1.00 0.00 O ATOM 1178 CB VAL A 153 -1.977 1.719 -2.075 1.00 0.00 C ATOM 1179 CG1 VAL A 153 -1.396 2.331 -0.810 1.00 0.00 C ATOM 1180 CG2 VAL A 153 -3.434 1.332 -1.869 1.00 0.00 C ATOM 0 H VAL A 153 -0.187 3.648 -2.389 1.00 0.00 H new ATOM 0 HA VAL A 153 -1.947 2.134 -4.192 1.00 0.00 H new ATOM 0 HB VAL A 153 -1.415 0.813 -2.304 1.00 0.00 H new ATOM 0 HG11 VAL A 153 -1.506 1.630 0.017 1.00 0.00 H new ATOM 0 HG12 VAL A 153 -0.339 2.549 -0.963 1.00 0.00 H new ATOM 0 HG13 VAL A 153 -1.926 3.254 -0.576 1.00 0.00 H new ATOM 0 HG21 VAL A 153 -3.512 0.645 -1.026 1.00 0.00 H new ATOM 0 HG22 VAL A 153 -4.023 2.226 -1.664 1.00 0.00 H new ATOM 0 HG23 VAL A 153 -3.812 0.847 -2.769 1.00 0.00 H new ATOM 1190 N VAL A 154 -3.575 3.999 -4.309 1.00 0.00 N ATOM 1191 CA VAL A 154 -4.648 4.983 -4.379 1.00 0.00 C ATOM 1192 C VAL A 154 -5.978 4.384 -3.934 1.00 0.00 C ATOM 1193 O VAL A 154 -6.274 3.222 -4.218 1.00 0.00 O ATOM 1194 CB VAL A 154 -4.805 5.538 -5.806 1.00 0.00 C ATOM 1195 CG1 VAL A 154 -5.700 6.767 -5.807 1.00 0.00 C ATOM 1196 CG2 VAL A 154 -3.447 5.857 -6.408 1.00 0.00 C ATOM 0 H VAL A 154 -3.374 3.533 -5.194 1.00 0.00 H new ATOM 0 HA VAL A 154 -4.375 5.795 -3.705 1.00 0.00 H new ATOM 0 HB VAL A 154 -5.278 4.774 -6.422 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -5.799 7.144 -6.825 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -6.684 6.501 -5.422 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -5.260 7.538 -5.175 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -3.579 6.248 -7.417 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -2.942 6.602 -5.793 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -2.844 4.950 -6.447 1.00 0.00 H new ATOM 1206 N ILE A 155 -6.777 5.187 -3.238 1.00 0.00 N ATOM 1207 CA ILE A 155 -8.078 4.743 -2.754 1.00 0.00 C ATOM 1208 C ILE A 155 -9.095 5.879 -2.800 1.00 0.00 C ATOM 1209 O ILE A 155 -8.765 7.029 -2.509 1.00 0.00 O ATOM 1210 CB ILE A 155 -7.988 4.206 -1.312 1.00 0.00 C ATOM 1211 CG1 ILE A 155 -7.192 2.902 -1.277 1.00 0.00 C ATOM 1212 CG2 ILE A 155 -9.379 4.000 -0.734 1.00 0.00 C ATOM 1213 CD1 ILE A 155 -6.502 2.649 0.046 1.00 0.00 C ATOM 0 H ILE A 155 -6.545 6.150 -2.997 1.00 0.00 H new ATOM 0 HA ILE A 155 -8.405 3.938 -3.412 1.00 0.00 H new ATOM 0 HB ILE A 155 -7.468 4.943 -0.700 1.00 0.00 H new ATOM 0 HG12 ILE A 155 -7.863 2.070 -1.492 1.00 0.00 H new ATOM 0 HG13 ILE A 155 -6.444 2.921 -2.070 1.00 0.00 H new ATOM 0 HG21 ILE A 155 -9.297 3.621 0.285 1.00 0.00 H new ATOM 0 HG22 ILE A 155 -9.914 4.950 -0.726 1.00 0.00 H new ATOM 0 HG23 ILE A 155 -9.925 3.282 -1.346 1.00 0.00 H new ATOM 0 HD11 ILE A 155 -5.957 1.706 -0.002 1.00 0.00 H new ATOM 0 HD12 ILE A 155 -5.805 3.461 0.254 1.00 0.00 H new ATOM 0 HD13 ILE A 155 -7.246 2.597 0.841 1.00 0.00 H new ATOM 1225 N GLU A 156 -10.331 5.553 -3.165 1.00 0.00 N ATOM 1226 CA GLU A 156 -11.389 6.552 -3.246 1.00 0.00 C ATOM 1227 C GLU A 156 -11.886 6.933 -1.855 1.00 0.00 C ATOM 1228 O GLU A 156 -12.435 6.052 -1.161 1.00 0.00 O ATOM 1229 CB GLU A 156 -12.553 6.026 -4.090 1.00 0.00 C ATOM 1230 CG GLU A 156 -13.346 7.123 -4.781 1.00 0.00 C ATOM 1231 CD GLU A 156 -14.812 6.772 -4.937 1.00 0.00 C ATOM 1232 OE1 GLU A 156 -15.392 6.205 -3.987 1.00 0.00 O ATOM 1233 OE2 GLU A 156 -15.381 7.062 -6.011 1.00 0.00 O ATOM 1234 OXT GLU A 156 -11.718 8.110 -1.471 1.00 0.00 O ATOM 0 H GLU A 156 -10.623 4.607 -3.409 1.00 0.00 H new ATOM 0 HA GLU A 156 -10.978 7.442 -3.721 1.00 0.00 H new ATOM 0 HB2 GLU A 156 -12.164 5.340 -4.843 1.00 0.00 H new ATOM 0 HB3 GLU A 156 -13.224 5.451 -3.451 1.00 0.00 H new ATOM 0 HG2 GLU A 156 -13.256 8.047 -4.209 1.00 0.00 H new ATOM 0 HG3 GLU A 156 -12.915 7.314 -5.764 1.00 0.00 H new