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 124 MET CE :methyl -177:sc= 0 (180deg=0) USER MOD Set 1.2: A 126 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 87 MET CE :methyl 151:sc= -3.42 (180deg=-2.94!) USER MOD Set 2.2: A 121 MET CE :methyl 165:sc=-0.000387 (180deg=0) USER MOD Set 2.3: A 125 ASN : amide:sc= -2.15 X(o=-5.6,f=-5.9) USER MOD Single : A 81 HIS : no HD1:sc= -0.754 K(o=-0.75,f=-1.6!) USER MOD Single : A 85 SER OG : rot 87:sc= 0.398 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 171:sc= 0.0659 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= -0.348 K(o=-0.35,f=-1.2) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -0.309 K(o=-0.31,f=-1.4) USER MOD Single : A 114 THR OG1 : rot 180:sc=0.000266 USER MOD Single : A 116 CYS SG : rot 154:sc= -1.29! USER MOD Single : A 122 LYS NZ :NH3+ 164:sc=-0.00673 (180deg=-0.0845) USER MOD Single : A 123 MET CE :methyl 164:sc= -0.0425 (180deg=-0.277) 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 180:sc= -0.106 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 SER OG : rot 48:sc= 0.257 USER MOD Single : A 144 GLN : amide:sc= -1.03 K(o=-1,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 130 N HIS A 81 -5.375 8.616 3.023 1.00 1.00 N ATOM 131 CA HIS A 81 -5.637 7.347 3.679 1.00 1.00 C ATOM 132 C HIS A 81 -4.321 6.595 3.886 1.00 1.00 C ATOM 133 O HIS A 81 -3.720 6.114 2.927 1.00 1.00 O ATOM 134 CB HIS A 81 -6.668 6.533 2.895 1.00 1.00 C ATOM 135 CG HIS A 81 -6.462 5.039 2.976 1.00 1.00 C ATOM 136 ND1 HIS A 81 -6.201 4.382 4.166 1.00 1.00 N ATOM 137 CD2 HIS A 81 -6.483 4.082 2.004 1.00 1.00 C ATOM 138 CE1 HIS A 81 -6.071 3.089 3.910 1.00 1.00 C ATOM 139 NE2 HIS A 81 -6.245 2.905 2.569 1.00 1.00 N ATOM 0 HA HIS A 81 -6.072 7.525 4.662 1.00 1.00 H new ATOM 0 HB2 HIS A 81 -7.664 6.773 3.267 1.00 1.00 H new ATOM 0 HB3 HIS A 81 -6.637 6.837 1.849 1.00 1.00 H new ATOM 0 HD2 HIS A 81 -6.663 4.253 0.953 1.00 1.00 H new ATOM 0 HE1 HIS A 81 -5.864 2.316 4.635 1.00 1.00 H new ATOM 0 HE2 HIS A 81 -6.200 2.010 2.081 1.00 1.00 H new ATOM 146 N ILE A 82 -3.912 6.517 5.144 1.00 1.00 N ATOM 147 CA ILE A 82 -2.678 5.832 5.489 1.00 1.00 C ATOM 148 C ILE A 82 -2.978 4.357 5.762 1.00 1.00 C ATOM 149 O ILE A 82 -3.923 4.034 6.481 1.00 1.00 O ATOM 150 CB ILE A 82 -1.977 6.542 6.649 1.00 1.00 C ATOM 151 CG1 ILE A 82 -1.214 7.773 6.156 1.00 1.00 C ATOM 152 CG2 ILE A 82 -1.072 5.576 7.416 1.00 1.00 C ATOM 153 CD1 ILE A 82 -1.636 9.024 6.931 1.00 1.00 C ATOM 0 H ILE A 82 -4.414 6.917 5.937 1.00 1.00 H new ATOM 0 HA ILE A 82 -1.977 5.866 4.655 1.00 1.00 H new ATOM 0 HB ILE A 82 -2.738 6.892 7.346 1.00 1.00 H new ATOM 0 HG12 ILE A 82 -0.142 7.612 6.273 1.00 1.00 H new ATOM 0 HG13 ILE A 82 -1.400 7.919 5.092 1.00 1.00 H new ATOM 0 HG21 ILE A 82 -0.586 6.106 8.235 1.00 1.00 H new ATOM 0 HG22 ILE A 82 -1.670 4.758 7.817 1.00 1.00 H new ATOM 0 HG23 ILE A 82 -0.314 5.175 6.743 1.00 1.00 H new ATOM 0 HD11 ILE A 82 -1.080 9.886 6.562 1.00 1.00 H new ATOM 0 HD12 ILE A 82 -2.704 9.195 6.792 1.00 1.00 H new ATOM 0 HD13 ILE A 82 -1.426 8.883 7.991 1.00 1.00 H new ATOM 164 N VAL A 83 -2.157 3.500 5.173 1.00 1.00 N ATOM 165 CA VAL A 83 -2.323 2.067 5.344 1.00 1.00 C ATOM 166 C VAL A 83 -1.482 1.598 6.534 1.00 1.00 C ATOM 167 O VAL A 83 -0.368 2.077 6.738 1.00 1.00 O ATOM 168 CB VAL A 83 -1.973 1.341 4.043 1.00 1.00 C ATOM 169 CG1 VAL A 83 -1.927 -0.175 4.256 1.00 1.00 C ATOM 170 CG2 VAL A 83 -2.957 1.708 2.930 1.00 1.00 C ATOM 0 H VAL A 83 -1.375 3.771 4.577 1.00 1.00 H new ATOM 0 HA VAL A 83 -3.363 1.827 5.566 1.00 1.00 H new ATOM 0 HB VAL A 83 -0.980 1.666 3.734 1.00 1.00 H new ATOM 0 HG11 VAL A 83 -1.676 -0.667 3.316 1.00 1.00 H new ATOM 0 HG12 VAL A 83 -1.171 -0.415 5.004 1.00 1.00 H new ATOM 0 HG13 VAL A 83 -2.901 -0.524 4.600 1.00 1.00 H new ATOM 0 HG21 VAL A 83 -2.686 1.179 2.016 1.00 1.00 H new ATOM 0 HG22 VAL A 83 -3.966 1.424 3.228 1.00 1.00 H new ATOM 0 HG23 VAL A 83 -2.920 2.783 2.752 1.00 1.00 H new ATOM 180 N ARG A 84 -2.048 0.668 7.288 1.00 1.00 N ATOM 181 CA ARG A 84 -1.365 0.131 8.452 1.00 1.00 C ATOM 182 C ARG A 84 -1.186 -1.383 8.311 1.00 1.00 C ATOM 183 O ARG A 84 -2.160 -2.112 8.125 1.00 1.00 O ATOM 184 CB ARG A 84 -2.146 0.427 9.735 1.00 1.00 C ATOM 185 CG ARG A 84 -2.425 1.925 9.873 1.00 1.00 C ATOM 186 CD ARG A 84 -2.680 2.303 11.333 1.00 1.00 C ATOM 187 NE ARG A 84 -1.998 3.576 11.653 1.00 1.00 N ATOM 188 CZ ARG A 84 -1.957 4.124 12.886 1.00 1.00 C ATOM 189 NH1 ARG A 84 -2.559 3.513 13.928 1.00 1.00 N ATOM 190 NH2 ARG A 84 -1.319 5.267 13.058 1.00 1.00 N ATOM 0 H ARG A 84 -2.972 0.272 7.116 1.00 1.00 H new ATOM 0 HA ARG A 84 -0.389 0.612 8.515 1.00 1.00 H new ATOM 0 HB2 ARG A 84 -3.087 -0.123 9.727 1.00 1.00 H new ATOM 0 HB3 ARG A 84 -1.580 0.078 10.599 1.00 1.00 H new ATOM 0 HG2 ARG A 84 -1.578 2.493 9.489 1.00 1.00 H new ATOM 0 HG3 ARG A 84 -3.290 2.195 9.267 1.00 1.00 H new ATOM 0 HD2 ARG A 84 -3.751 2.400 11.510 1.00 1.00 H new ATOM 0 HD3 ARG A 84 -2.319 1.512 11.990 1.00 1.00 H new ATOM 0 HE ARG A 84 -1.529 4.071 10.894 1.00 1.00 H new ATOM 0 HH11 ARG A 84 -3.050 2.630 13.787 1.00 1.00 H new ATOM 0 HH12 ARG A 84 -2.523 3.934 14.856 1.00 1.00 H new ATOM 0 HH21 ARG A 84 -0.866 5.723 12.266 1.00 1.00 H new ATOM 0 HH22 ARG A 84 -1.279 5.694 13.983 1.00 1.00 H new ATOM 199 N SER A 85 0.065 -1.809 8.403 1.00 1.00 N ATOM 200 CA SER A 85 0.383 -3.223 8.287 1.00 1.00 C ATOM 201 C SER A 85 -0.646 -4.055 9.052 1.00 1.00 C ATOM 202 O SER A 85 -0.582 -4.158 10.276 1.00 1.00 O ATOM 203 CB SER A 85 1.793 -3.513 8.807 1.00 1.00 C ATOM 204 OG SER A 85 2.382 -2.369 9.419 1.00 1.00 O ATOM 0 H SER A 85 0.870 -1.201 8.556 1.00 1.00 H new ATOM 0 HA SER A 85 0.349 -3.497 7.232 1.00 1.00 H new ATOM 0 HB2 SER A 85 1.753 -4.329 9.528 1.00 1.00 H new ATOM 0 HB3 SER A 85 2.422 -3.847 7.982 1.00 1.00 H new ATOM 0 HG SER A 85 2.123 -2.334 10.364 1.00 1.00 H new ATOM 209 N PRO A 86 -1.598 -4.645 8.279 1.00 1.00 N ATOM 210 CA PRO A 86 -2.640 -5.466 8.871 1.00 1.00 C ATOM 211 C PRO A 86 -2.090 -6.829 9.294 1.00 1.00 C ATOM 212 O PRO A 86 -2.827 -7.667 9.810 1.00 1.00 O ATOM 213 CB PRO A 86 -3.717 -5.566 7.803 1.00 1.00 C ATOM 214 CG PRO A 86 -3.041 -5.190 6.494 1.00 1.00 C ATOM 215 CD PRO A 86 -1.706 -4.545 6.826 1.00 1.00 C ATOM 0 HA PRO A 86 -3.045 -5.035 9.787 1.00 1.00 H new ATOM 0 HB2 PRO A 86 -4.127 -6.575 7.755 1.00 1.00 H new ATOM 0 HB3 PRO A 86 -4.547 -4.894 8.021 1.00 1.00 H new ATOM 0 HG2 PRO A 86 -2.894 -6.074 5.873 1.00 1.00 H new ATOM 0 HG3 PRO A 86 -3.666 -4.502 5.926 1.00 1.00 H new ATOM 0 HD2 PRO A 86 -0.883 -5.061 6.331 1.00 1.00 H new ATOM 0 HD3 PRO A 86 -1.675 -3.506 6.497 1.00 1.00 H new ATOM 220 N MET A 87 -0.799 -7.010 9.059 1.00 1.00 N ATOM 221 CA MET A 87 -0.141 -8.258 9.409 1.00 1.00 C ATOM 222 C MET A 87 1.363 -8.051 9.595 1.00 1.00 C ATOM 223 O MET A 87 2.034 -7.515 8.714 1.00 1.00 O ATOM 224 CB MET A 87 -0.382 -9.289 8.305 1.00 1.00 C ATOM 225 CG MET A 87 0.333 -8.886 7.013 1.00 1.00 C ATOM 226 SD MET A 87 -0.521 -9.573 5.604 1.00 1.00 S ATOM 227 CE MET A 87 -0.130 -11.302 5.817 1.00 1.00 C ATOM 0 H MET A 87 -0.190 -6.313 8.630 1.00 1.00 H new ATOM 0 HA MET A 87 -0.559 -8.616 10.350 1.00 1.00 H new ATOM 0 HB2 MET A 87 -0.027 -10.267 8.632 1.00 1.00 H new ATOM 0 HB3 MET A 87 -1.452 -9.384 8.118 1.00 1.00 H new ATOM 0 HG2 MET A 87 0.371 -7.800 6.932 1.00 1.00 H new ATOM 0 HG3 MET A 87 1.364 -9.240 7.032 1.00 1.00 H new ATOM 0 HE1 MET A 87 -0.931 -11.911 5.398 1.00 1.00 H new ATOM 0 HE2 MET A 87 0.804 -11.530 5.304 1.00 1.00 H new ATOM 0 HE3 MET A 87 -0.024 -11.523 6.879 1.00 1.00 H new ATOM 235 N VAL A 88 1.850 -8.486 10.748 1.00 1.00 N ATOM 236 CA VAL A 88 3.262 -8.355 11.061 1.00 1.00 C ATOM 237 C VAL A 88 4.071 -9.279 10.147 1.00 1.00 C ATOM 238 O VAL A 88 3.675 -10.417 9.903 1.00 1.00 O ATOM 239 CB VAL A 88 3.496 -8.632 12.549 1.00 1.00 C ATOM 240 CG1 VAL A 88 4.941 -8.319 12.943 1.00 1.00 C ATOM 241 CG2 VAL A 88 2.509 -7.846 13.414 1.00 1.00 C ATOM 0 H VAL A 88 1.291 -8.930 11.477 1.00 1.00 H new ATOM 0 HA VAL A 88 3.601 -7.336 10.876 1.00 1.00 H new ATOM 0 HB VAL A 88 3.323 -9.694 12.724 1.00 1.00 H new ATOM 0 HG11 VAL A 88 5.081 -8.524 14.004 1.00 1.00 H new ATOM 0 HG12 VAL A 88 5.620 -8.942 12.360 1.00 1.00 H new ATOM 0 HG13 VAL A 88 5.153 -7.268 12.745 1.00 1.00 H new ATOM 0 HG21 VAL A 88 2.696 -8.060 14.466 1.00 1.00 H new ATOM 0 HG22 VAL A 88 2.636 -6.779 13.233 1.00 1.00 H new ATOM 0 HG23 VAL A 88 1.490 -8.138 13.160 1.00 1.00 H new ATOM 251 N GLY A 89 5.188 -8.753 9.667 1.00 1.00 N ATOM 252 CA GLY A 89 6.055 -9.515 8.785 1.00 1.00 C ATOM 253 C GLY A 89 6.922 -8.587 7.931 1.00 1.00 C ATOM 254 O GLY A 89 7.661 -7.760 8.462 1.00 1.00 O ATOM 0 H GLY A 89 5.513 -7.808 9.872 1.00 1.00 H new ATOM 0 HA2 GLY A 89 6.693 -10.173 9.376 1.00 1.00 H new ATOM 0 HA3 GLY A 89 5.452 -10.152 8.138 1.00 1.00 H new ATOM 258 N THR A 90 6.800 -8.756 6.623 1.00 1.00 N ATOM 259 CA THR A 90 7.562 -7.944 5.690 1.00 1.00 C ATOM 260 C THR A 90 6.630 -7.279 4.676 1.00 1.00 C ATOM 261 O THR A 90 5.452 -7.622 4.592 1.00 1.00 O ATOM 262 CB THR A 90 8.625 -8.836 5.045 1.00 1.00 C ATOM 263 OG1 THR A 90 9.490 -9.182 6.123 1.00 1.00 O ATOM 264 CG2 THR A 90 9.526 -8.068 4.076 1.00 1.00 C ATOM 0 H THR A 90 6.185 -9.443 6.187 1.00 1.00 H new ATOM 0 HA THR A 90 8.070 -7.126 6.201 1.00 1.00 H new ATOM 0 HB THR A 90 8.138 -9.655 4.515 1.00 1.00 H new ATOM 0 HG1 THR A 90 10.208 -9.762 5.793 1.00 1.00 H new ATOM 0 HG21 THR A 90 10.262 -8.748 3.647 1.00 1.00 H new ATOM 0 HG22 THR A 90 8.920 -7.639 3.278 1.00 1.00 H new ATOM 0 HG23 THR A 90 10.039 -7.269 4.612 1.00 1.00 H new ATOM 272 N PHE A 91 7.193 -6.339 3.930 1.00 1.00 N ATOM 273 CA PHE A 91 6.426 -5.623 2.925 1.00 1.00 C ATOM 274 C PHE A 91 7.226 -5.475 1.628 1.00 1.00 C ATOM 275 O PHE A 91 8.433 -5.245 1.663 1.00 1.00 O ATOM 276 CB PHE A 91 6.134 -4.233 3.492 1.00 1.00 C ATOM 277 CG PHE A 91 5.507 -3.268 2.482 1.00 1.00 C ATOM 278 CD1 PHE A 91 6.262 -2.752 1.475 1.00 1.00 C ATOM 279 CD2 PHE A 91 4.196 -2.926 2.593 1.00 1.00 C ATOM 280 CE1 PHE A 91 5.680 -1.857 0.540 1.00 1.00 C ATOM 281 CE2 PHE A 91 3.614 -2.031 1.656 1.00 1.00 C ATOM 282 CZ PHE A 91 4.368 -1.516 0.649 1.00 1.00 C ATOM 0 H PHE A 91 8.171 -6.057 4.002 1.00 1.00 H new ATOM 0 HA PHE A 91 5.511 -6.169 2.696 1.00 1.00 H new ATOM 0 HB2 PHE A 91 5.465 -4.334 4.347 1.00 1.00 H new ATOM 0 HB3 PHE A 91 7.063 -3.801 3.864 1.00 1.00 H new ATOM 0 HD1 PHE A 91 7.304 -3.023 1.387 1.00 1.00 H new ATOM 0 HD2 PHE A 91 3.597 -3.335 3.393 1.00 1.00 H new ATOM 0 HE1 PHE A 91 6.280 -1.446 -0.259 1.00 1.00 H new ATOM 0 HE2 PHE A 91 2.572 -1.760 1.744 1.00 1.00 H new ATOM 0 HZ PHE A 91 3.925 -0.836 -0.064 1.00 1.00 H new ATOM 291 N TYR A 92 6.519 -5.612 0.516 1.00 1.00 N ATOM 292 CA TYR A 92 7.147 -5.497 -0.789 1.00 1.00 C ATOM 293 C TYR A 92 6.289 -4.657 -1.738 1.00 1.00 C ATOM 294 O TYR A 92 5.067 -4.625 -1.610 1.00 1.00 O ATOM 295 CB TYR A 92 7.248 -6.921 -1.337 1.00 1.00 C ATOM 296 CG TYR A 92 8.246 -7.807 -0.588 1.00 1.00 C ATOM 297 CD1 TYR A 92 9.599 -7.545 -0.673 1.00 1.00 C ATOM 298 CD2 TYR A 92 7.795 -8.868 0.171 1.00 1.00 C ATOM 299 CE1 TYR A 92 10.539 -8.377 0.031 1.00 1.00 C ATOM 300 CE2 TYR A 92 8.736 -9.700 0.875 1.00 1.00 C ATOM 301 CZ TYR A 92 10.061 -9.414 0.770 1.00 1.00 C ATOM 302 OH TYR A 92 10.949 -10.202 1.435 1.00 1.00 O ATOM 0 H TYR A 92 5.517 -5.802 0.492 1.00 1.00 H new ATOM 0 HA TYR A 92 8.120 -5.013 -0.705 1.00 1.00 H new ATOM 0 HB2 TYR A 92 6.263 -7.386 -1.296 1.00 1.00 H new ATOM 0 HB3 TYR A 92 7.535 -6.876 -2.387 1.00 1.00 H new ATOM 0 HD1 TYR A 92 9.952 -6.716 -1.268 1.00 1.00 H new ATOM 0 HD2 TYR A 92 6.737 -9.074 0.237 1.00 1.00 H new ATOM 0 HE1 TYR A 92 11.600 -8.182 -0.026 1.00 1.00 H new ATOM 0 HE2 TYR A 92 8.397 -10.533 1.473 1.00 1.00 H new ATOM 0 HH TYR A 92 10.464 -10.809 2.033 1.00 1.00 H new ATOM 311 N ARG A 93 6.965 -3.999 -2.669 1.00 1.00 N ATOM 312 CA ARG A 93 6.279 -3.162 -3.639 1.00 1.00 C ATOM 313 C ARG A 93 6.090 -3.920 -4.955 1.00 1.00 C ATOM 314 O ARG A 93 5.319 -3.496 -5.814 1.00 1.00 O ATOM 315 CB ARG A 93 7.064 -1.876 -3.908 1.00 1.00 C ATOM 316 CG ARG A 93 7.426 -1.171 -2.600 1.00 1.00 C ATOM 317 CD ARG A 93 6.391 -0.100 -2.249 1.00 1.00 C ATOM 318 NE ARG A 93 6.336 0.921 -3.319 1.00 1.00 N ATOM 319 CZ ARG A 93 5.319 1.793 -3.479 1.00 1.00 C ATOM 320 NH1 ARG A 93 4.263 1.778 -2.640 1.00 1.00 N ATOM 321 NH2 ARG A 93 5.375 2.664 -4.471 1.00 1.00 N ATOM 0 H ARG A 93 7.979 -4.029 -2.772 1.00 1.00 H new ATOM 0 HA ARG A 93 5.306 -2.901 -3.223 1.00 1.00 H new ATOM 0 HB2 ARG A 93 7.973 -2.110 -4.463 1.00 1.00 H new ATOM 0 HB3 ARG A 93 6.472 -1.208 -4.533 1.00 1.00 H new ATOM 0 HG2 ARG A 93 7.486 -1.902 -1.794 1.00 1.00 H new ATOM 0 HG3 ARG A 93 8.411 -0.714 -2.690 1.00 1.00 H new ATOM 0 HD2 ARG A 93 5.410 -0.558 -2.122 1.00 1.00 H new ATOM 0 HD3 ARG A 93 6.649 0.370 -1.300 1.00 1.00 H new ATOM 0 HE ARG A 93 7.115 0.968 -3.976 1.00 1.00 H new ATOM 0 HH11 ARG A 93 4.228 1.103 -1.876 1.00 1.00 H new ATOM 0 HH12 ARG A 93 3.499 2.442 -2.770 1.00 1.00 H new ATOM 0 HH21 ARG A 93 6.178 2.669 -5.100 1.00 1.00 H new ATOM 0 HH22 ARG A 93 4.615 3.331 -4.608 1.00 1.00 H new ATOM 330 N THR A 94 6.806 -5.029 -5.069 1.00 1.00 N ATOM 331 CA THR A 94 6.727 -5.850 -6.266 1.00 1.00 C ATOM 332 C THR A 94 6.645 -7.331 -5.891 1.00 1.00 C ATOM 333 O THR A 94 7.083 -7.728 -4.812 1.00 1.00 O ATOM 334 CB THR A 94 7.927 -5.513 -7.151 1.00 1.00 C ATOM 335 OG1 THR A 94 9.044 -5.594 -6.268 1.00 1.00 O ATOM 336 CG2 THR A 94 7.923 -4.055 -7.614 1.00 1.00 C ATOM 0 H THR A 94 7.443 -5.378 -4.353 1.00 1.00 H new ATOM 0 HA THR A 94 5.819 -5.639 -6.832 1.00 1.00 H new ATOM 0 HB THR A 94 7.931 -6.170 -8.021 1.00 1.00 H new ATOM 0 HG1 THR A 94 9.866 -5.391 -6.761 1.00 1.00 H new ATOM 0 HG21 THR A 94 8.796 -3.869 -8.239 1.00 1.00 H new ATOM 0 HG22 THR A 94 7.018 -3.858 -8.188 1.00 1.00 H new ATOM 0 HG23 THR A 94 7.952 -3.397 -6.745 1.00 1.00 H new ATOM 344 N PRO A 95 6.065 -8.130 -6.827 1.00 1.00 N ATOM 345 CA PRO A 95 5.920 -9.559 -6.606 1.00 1.00 C ATOM 346 C PRO A 95 7.260 -10.278 -6.772 1.00 1.00 C ATOM 347 O PRO A 95 7.677 -11.032 -5.894 1.00 1.00 O ATOM 348 CB PRO A 95 4.875 -10.008 -7.614 1.00 1.00 C ATOM 349 CG PRO A 95 4.815 -8.915 -8.668 1.00 1.00 C ATOM 350 CD PRO A 95 5.535 -7.695 -8.116 1.00 1.00 C ATOM 0 HA PRO A 95 5.603 -9.798 -5.591 1.00 1.00 H new ATOM 0 HB2 PRO A 95 5.148 -10.965 -8.059 1.00 1.00 H new ATOM 0 HB3 PRO A 95 3.905 -10.143 -7.136 1.00 1.00 H new ATOM 0 HG2 PRO A 95 5.285 -9.250 -9.592 1.00 1.00 H new ATOM 0 HG3 PRO A 95 3.780 -8.672 -8.907 1.00 1.00 H new ATOM 0 HD2 PRO A 95 6.333 -7.371 -8.783 1.00 1.00 H new ATOM 0 HD3 PRO A 95 4.854 -6.852 -8.000 1.00 1.00 H new ATOM 355 N SER A 96 7.898 -10.020 -7.904 1.00 1.00 N ATOM 356 CA SER A 96 9.182 -10.633 -8.197 1.00 1.00 C ATOM 357 C SER A 96 10.134 -9.596 -8.794 1.00 1.00 C ATOM 358 O SER A 96 9.758 -8.440 -8.984 1.00 1.00 O ATOM 359 CB SER A 96 9.022 -11.819 -9.151 1.00 1.00 C ATOM 360 OG SER A 96 7.657 -12.204 -9.300 1.00 1.00 O ATOM 0 H SER A 96 7.549 -9.394 -8.630 1.00 1.00 H new ATOM 0 HA SER A 96 9.603 -11.007 -7.263 1.00 1.00 H new ATOM 0 HB2 SER A 96 9.434 -11.558 -10.126 1.00 1.00 H new ATOM 0 HB3 SER A 96 9.599 -12.665 -8.778 1.00 1.00 H new ATOM 0 HG SER A 96 7.597 -12.963 -9.918 1.00 1.00 H new ATOM 365 N PRO A 97 11.380 -10.058 -9.083 1.00 1.00 N ATOM 366 CA PRO A 97 12.388 -9.182 -9.656 1.00 1.00 C ATOM 367 C PRO A 97 12.107 -8.915 -11.135 1.00 1.00 C ATOM 368 O PRO A 97 11.519 -9.752 -11.819 1.00 1.00 O ATOM 369 CB PRO A 97 13.710 -9.898 -9.422 1.00 1.00 C ATOM 370 CG PRO A 97 13.354 -11.350 -9.148 1.00 1.00 C ATOM 371 CD PRO A 97 11.860 -11.420 -8.872 1.00 1.00 C ATOM 0 HA PRO A 97 12.397 -8.194 -9.195 1.00 1.00 H new ATOM 0 HB2 PRO A 97 14.360 -9.813 -10.293 1.00 1.00 H new ATOM 0 HB3 PRO A 97 14.247 -9.462 -8.580 1.00 1.00 H new ATOM 0 HG2 PRO A 97 13.614 -11.975 -10.003 1.00 1.00 H new ATOM 0 HG3 PRO A 97 13.918 -11.727 -8.295 1.00 1.00 H new ATOM 0 HD2 PRO A 97 11.366 -12.122 -9.543 1.00 1.00 H new ATOM 0 HD3 PRO A 97 11.661 -11.757 -7.855 1.00 1.00 H new ATOM 376 N ASP A 98 12.540 -7.748 -11.586 1.00 1.00 N ATOM 377 CA ASP A 98 12.342 -7.361 -12.973 1.00 1.00 C ATOM 378 C ASP A 98 10.844 -7.208 -13.246 1.00 1.00 C ATOM 379 O ASP A 98 10.426 -7.106 -14.399 1.00 1.00 O ATOM 380 CB ASP A 98 12.889 -8.424 -13.926 1.00 1.00 C ATOM 381 CG ASP A 98 14.210 -9.064 -13.491 1.00 1.00 C ATOM 382 OD1 ASP A 98 15.147 -8.371 -13.067 1.00 1.00 O ATOM 383 OD2 ASP A 98 14.256 -10.348 -13.600 1.00 1.00 O ATOM 0 H ASP A 98 13.028 -7.057 -11.016 1.00 1.00 H new ATOM 0 HA ASP A 98 12.870 -6.422 -13.139 1.00 1.00 H new ATOM 0 HB2 ASP A 98 12.142 -9.209 -14.038 1.00 1.00 H new ATOM 0 HB3 ASP A 98 13.027 -7.973 -14.909 1.00 1.00 H new ATOM 388 N ALA A 99 10.077 -7.196 -12.167 1.00 1.00 N ATOM 389 CA ALA A 99 8.634 -7.057 -12.275 1.00 1.00 C ATOM 390 C ALA A 99 8.237 -5.619 -11.939 1.00 1.00 C ATOM 391 O ALA A 99 8.861 -4.981 -11.093 1.00 1.00 O ATOM 392 CB ALA A 99 7.952 -8.079 -11.363 1.00 1.00 C ATOM 0 H ALA A 99 10.427 -7.280 -11.213 1.00 1.00 H new ATOM 0 HA ALA A 99 8.305 -7.260 -13.294 1.00 1.00 H new ATOM 0 HB1 ALA A 99 6.870 -7.974 -11.444 1.00 1.00 H new ATOM 0 HB2 ALA A 99 8.243 -9.086 -11.663 1.00 1.00 H new ATOM 0 HB3 ALA A 99 8.257 -7.906 -10.331 1.00 1.00 H new ATOM 398 N LYS A 100 7.201 -5.150 -12.620 1.00 1.00 N ATOM 399 CA LYS A 100 6.714 -3.798 -12.404 1.00 1.00 C ATOM 400 C LYS A 100 6.304 -3.636 -10.939 1.00 1.00 C ATOM 401 O LYS A 100 6.217 -4.618 -10.203 1.00 1.00 O ATOM 402 CB LYS A 100 5.597 -3.466 -13.395 1.00 1.00 C ATOM 403 CG LYS A 100 5.910 -4.030 -14.783 1.00 1.00 C ATOM 404 CD LYS A 100 5.138 -5.327 -15.035 1.00 1.00 C ATOM 405 CE LYS A 100 6.036 -6.381 -15.686 1.00 1.00 C ATOM 406 NZ LYS A 100 5.286 -7.640 -15.898 1.00 1.00 N ATOM 0 H LYS A 100 6.686 -5.682 -13.321 1.00 1.00 H new ATOM 0 HA LYS A 100 7.505 -3.073 -12.596 1.00 1.00 H new ATOM 0 HB2 LYS A 100 4.653 -3.877 -13.036 1.00 1.00 H new ATOM 0 HB3 LYS A 100 5.471 -2.385 -13.458 1.00 1.00 H new ATOM 0 HG2 LYS A 100 5.651 -3.295 -15.545 1.00 1.00 H new ATOM 0 HG3 LYS A 100 6.980 -4.217 -14.871 1.00 1.00 H new ATOM 0 HD2 LYS A 100 4.746 -5.710 -14.093 1.00 1.00 H new ATOM 0 HD3 LYS A 100 4.282 -5.126 -15.679 1.00 1.00 H new ATOM 0 HE2 LYS A 100 6.411 -6.009 -16.639 1.00 1.00 H new ATOM 0 HE3 LYS A 100 6.904 -6.569 -15.054 1.00 1.00 H new ATOM 0 HZ1 LYS A 100 5.909 -8.345 -16.341 1.00 1.00 H new ATOM 0 HZ2 LYS A 100 4.949 -8.002 -14.983 1.00 1.00 H new ATOM 0 HZ3 LYS A 100 4.472 -7.459 -16.520 1.00 1.00 H new ATOM 415 N ALA A 101 6.065 -2.390 -10.559 1.00 1.00 N ATOM 416 CA ALA A 101 5.666 -2.087 -9.194 1.00 1.00 C ATOM 417 C ALA A 101 4.139 -2.041 -9.113 1.00 1.00 C ATOM 418 O ALA A 101 3.487 -1.418 -9.950 1.00 1.00 O ATOM 419 CB ALA A 101 6.313 -0.773 -8.753 1.00 1.00 C ATOM 0 H ALA A 101 6.140 -1.578 -11.172 1.00 1.00 H new ATOM 0 HA ALA A 101 6.009 -2.864 -8.512 1.00 1.00 H new ATOM 0 HB1 ALA A 101 6.014 -0.546 -7.730 1.00 1.00 H new ATOM 0 HB2 ALA A 101 7.398 -0.867 -8.802 1.00 1.00 H new ATOM 0 HB3 ALA A 101 5.989 0.032 -9.413 1.00 1.00 H new ATOM 425 N PHE A 102 3.612 -2.708 -8.097 1.00 1.00 N ATOM 426 CA PHE A 102 2.174 -2.751 -7.895 1.00 1.00 C ATOM 427 C PHE A 102 1.588 -1.339 -7.820 1.00 1.00 C ATOM 428 O PHE A 102 0.495 -1.090 -8.326 1.00 1.00 O ATOM 429 CB PHE A 102 1.931 -3.462 -6.562 1.00 1.00 C ATOM 430 CG PHE A 102 1.948 -4.989 -6.659 1.00 1.00 C ATOM 431 CD1 PHE A 102 0.882 -5.649 -7.185 1.00 1.00 C ATOM 432 CD2 PHE A 102 3.029 -5.687 -6.217 1.00 1.00 C ATOM 433 CE1 PHE A 102 0.898 -7.066 -7.276 1.00 1.00 C ATOM 434 CE2 PHE A 102 3.044 -7.103 -6.308 1.00 1.00 C ATOM 435 CZ PHE A 102 1.978 -7.763 -6.835 1.00 1.00 C ATOM 0 H PHE A 102 4.155 -3.223 -7.404 1.00 1.00 H new ATOM 0 HA PHE A 102 1.697 -3.270 -8.726 1.00 1.00 H new ATOM 0 HB2 PHE A 102 2.692 -3.145 -5.849 1.00 1.00 H new ATOM 0 HB3 PHE A 102 0.968 -3.144 -6.163 1.00 1.00 H new ATOM 0 HD1 PHE A 102 0.023 -5.095 -7.534 1.00 1.00 H new ATOM 0 HD2 PHE A 102 3.875 -5.164 -5.797 1.00 1.00 H new ATOM 0 HE1 PHE A 102 0.052 -7.590 -7.696 1.00 1.00 H new ATOM 0 HE2 PHE A 102 3.903 -7.657 -5.958 1.00 1.00 H new ATOM 0 HZ PHE A 102 1.990 -8.841 -6.903 1.00 1.00 H new ATOM 444 N ILE A 103 2.341 -0.454 -7.185 1.00 1.00 N ATOM 445 CA ILE A 103 1.911 0.926 -7.038 1.00 1.00 C ATOM 446 C ILE A 103 3.044 1.858 -7.472 1.00 1.00 C ATOM 447 O ILE A 103 3.994 2.077 -6.721 1.00 1.00 O ATOM 448 CB ILE A 103 1.413 1.183 -5.614 1.00 1.00 C ATOM 449 CG1 ILE A 103 0.708 2.538 -5.516 1.00 1.00 C ATOM 450 CG2 ILE A 103 2.555 1.057 -4.603 1.00 1.00 C ATOM 451 CD1 ILE A 103 -0.085 2.649 -4.212 1.00 1.00 C ATOM 0 H ILE A 103 3.247 -0.665 -6.766 1.00 1.00 H new ATOM 0 HA ILE A 103 1.062 1.132 -7.690 1.00 1.00 H new ATOM 0 HB ILE A 103 0.677 0.418 -5.366 1.00 1.00 H new ATOM 0 HG12 ILE A 103 1.444 3.340 -5.568 1.00 1.00 H new ATOM 0 HG13 ILE A 103 0.038 2.666 -6.366 1.00 1.00 H new ATOM 0 HG21 ILE A 103 2.174 1.244 -3.599 1.00 1.00 H new ATOM 0 HG22 ILE A 103 2.974 0.052 -4.651 1.00 1.00 H new ATOM 0 HG23 ILE A 103 3.331 1.785 -4.838 1.00 1.00 H new ATOM 0 HD11 ILE A 103 -0.576 3.621 -4.167 1.00 1.00 H new ATOM 0 HD12 ILE A 103 -0.836 1.860 -4.175 1.00 1.00 H new ATOM 0 HD13 ILE A 103 0.592 2.545 -3.364 1.00 1.00 H new ATOM 462 N GLU A 104 2.905 2.383 -8.681 1.00 1.00 N ATOM 463 CA GLU A 104 3.905 3.287 -9.222 1.00 1.00 C ATOM 464 C GLU A 104 3.567 4.733 -8.859 1.00 1.00 C ATOM 465 O GLU A 104 2.546 5.263 -9.293 1.00 1.00 O ATOM 466 CB GLU A 104 4.034 3.118 -10.737 1.00 1.00 C ATOM 467 CG GLU A 104 5.440 3.486 -11.214 1.00 1.00 C ATOM 468 CD GLU A 104 5.401 4.686 -12.163 1.00 1.00 C ATOM 469 OE1 GLU A 104 4.338 5.003 -12.718 1.00 1.00 O ATOM 470 OE2 GLU A 104 6.525 5.299 -12.315 1.00 1.00 O ATOM 0 H GLU A 104 2.116 2.200 -9.300 1.00 1.00 H new ATOM 0 HA GLU A 104 4.869 3.038 -8.778 1.00 1.00 H new ATOM 0 HB2 GLU A 104 3.812 2.087 -11.011 1.00 1.00 H new ATOM 0 HB3 GLU A 104 3.300 3.747 -11.240 1.00 1.00 H new ATOM 0 HG2 GLU A 104 6.070 3.717 -10.355 1.00 1.00 H new ATOM 0 HG3 GLU A 104 5.891 2.632 -11.720 1.00 1.00 H new ATOM 476 N VAL A 105 4.443 5.332 -8.065 1.00 1.00 N ATOM 477 CA VAL A 105 4.249 6.707 -7.638 1.00 1.00 C ATOM 478 C VAL A 105 3.726 7.533 -8.815 1.00 1.00 C ATOM 479 O VAL A 105 4.414 7.689 -9.823 1.00 1.00 O ATOM 480 CB VAL A 105 5.549 7.260 -7.050 1.00 1.00 C ATOM 481 CG1 VAL A 105 5.385 8.725 -6.641 1.00 1.00 C ATOM 482 CG2 VAL A 105 6.021 6.411 -5.868 1.00 1.00 C ATOM 0 H VAL A 105 5.289 4.890 -7.706 1.00 1.00 H new ATOM 0 HA VAL A 105 3.501 6.760 -6.847 1.00 1.00 H new ATOM 0 HB VAL A 105 6.315 7.211 -7.824 1.00 1.00 H new ATOM 0 HG11 VAL A 105 6.323 9.094 -6.226 1.00 1.00 H new ATOM 0 HG12 VAL A 105 5.116 9.319 -7.515 1.00 1.00 H new ATOM 0 HG13 VAL A 105 4.599 8.807 -5.890 1.00 1.00 H new ATOM 0 HG21 VAL A 105 6.947 6.826 -5.469 1.00 1.00 H new ATOM 0 HG22 VAL A 105 5.257 6.413 -5.090 1.00 1.00 H new ATOM 0 HG23 VAL A 105 6.196 5.388 -6.202 1.00 1.00 H new ATOM 492 N GLY A 106 2.515 8.041 -8.648 1.00 1.00 N ATOM 493 CA GLY A 106 1.891 8.847 -9.684 1.00 1.00 C ATOM 494 C GLY A 106 0.793 8.062 -10.404 1.00 1.00 C ATOM 495 O GLY A 106 0.433 8.385 -11.535 1.00 1.00 O ATOM 0 H GLY A 106 1.948 7.910 -7.810 1.00 1.00 H new ATOM 0 HA2 GLY A 106 1.468 9.749 -9.242 1.00 1.00 H new ATOM 0 HA3 GLY A 106 2.645 9.168 -10.403 1.00 1.00 H new ATOM 499 N GLN A 107 0.290 7.046 -9.718 1.00 1.00 N ATOM 500 CA GLN A 107 -0.760 6.212 -10.277 1.00 1.00 C ATOM 501 C GLN A 107 -1.965 6.173 -9.335 1.00 1.00 C ATOM 502 O GLN A 107 -1.831 6.431 -8.140 1.00 1.00 O ATOM 503 CB GLN A 107 -0.245 4.802 -10.567 1.00 1.00 C ATOM 504 CG GLN A 107 -0.838 4.257 -11.868 1.00 1.00 C ATOM 505 CD GLN A 107 -1.584 2.944 -11.624 1.00 1.00 C ATOM 506 OE1 GLN A 107 -2.794 2.857 -11.746 1.00 1.00 O ATOM 507 NE2 GLN A 107 -0.797 1.931 -11.274 1.00 1.00 N ATOM 0 H GLN A 107 0.590 6.782 -8.780 1.00 1.00 H new ATOM 0 HA GLN A 107 -1.078 6.648 -11.224 1.00 1.00 H new ATOM 0 HB2 GLN A 107 0.843 4.816 -10.637 1.00 1.00 H new ATOM 0 HB3 GLN A 107 -0.503 4.140 -9.740 1.00 1.00 H new ATOM 0 HG2 GLN A 107 -1.519 4.992 -12.297 1.00 1.00 H new ATOM 0 HG3 GLN A 107 -0.042 4.097 -12.595 1.00 1.00 H new ATOM 0 HE21 GLN A 107 0.210 2.073 -11.190 1.00 1.00 H new ATOM 0 HE22 GLN A 107 -1.200 1.012 -11.090 1.00 1.00 H new ATOM 514 N LYS A 108 -3.114 5.848 -9.909 1.00 1.00 N ATOM 515 CA LYS A 108 -4.342 5.772 -9.135 1.00 1.00 C ATOM 516 C LYS A 108 -4.725 4.304 -8.937 1.00 1.00 C ATOM 517 O LYS A 108 -4.367 3.451 -9.747 1.00 1.00 O ATOM 518 CB LYS A 108 -5.441 6.612 -9.790 1.00 1.00 C ATOM 519 CG LYS A 108 -6.693 6.657 -8.911 1.00 1.00 C ATOM 520 CD LYS A 108 -7.464 7.962 -9.123 1.00 1.00 C ATOM 521 CE LYS A 108 -8.968 7.743 -8.953 1.00 1.00 C ATOM 522 NZ LYS A 108 -9.340 7.783 -7.521 1.00 1.00 N ATOM 0 H LYS A 108 -3.221 5.634 -10.901 1.00 1.00 H new ATOM 0 HA LYS A 108 -4.195 6.200 -8.143 1.00 1.00 H new ATOM 0 HB2 LYS A 108 -5.076 7.625 -9.962 1.00 1.00 H new ATOM 0 HB3 LYS A 108 -5.691 6.194 -10.765 1.00 1.00 H new ATOM 0 HG2 LYS A 108 -7.336 5.808 -9.144 1.00 1.00 H new ATOM 0 HG3 LYS A 108 -6.409 6.564 -7.863 1.00 1.00 H new ATOM 0 HD2 LYS A 108 -7.119 8.712 -8.411 1.00 1.00 H new ATOM 0 HD3 LYS A 108 -7.260 8.351 -10.120 1.00 1.00 H new ATOM 0 HE2 LYS A 108 -9.517 8.510 -9.499 1.00 1.00 H new ATOM 0 HE3 LYS A 108 -9.252 6.782 -9.382 1.00 1.00 H new ATOM 0 HZ1 LYS A 108 -10.364 7.633 -7.424 1.00 1.00 H new ATOM 0 HZ2 LYS A 108 -8.830 7.035 -7.009 1.00 1.00 H new ATOM 0 HZ3 LYS A 108 -9.087 8.710 -7.122 1.00 1.00 H new ATOM 531 N VAL A 109 -5.446 4.055 -7.854 1.00 1.00 N ATOM 532 CA VAL A 109 -5.881 2.705 -7.539 1.00 1.00 C ATOM 533 C VAL A 109 -7.365 2.725 -7.168 1.00 1.00 C ATOM 534 O VAL A 109 -7.804 3.579 -6.398 1.00 1.00 O ATOM 535 CB VAL A 109 -4.998 2.113 -6.439 1.00 1.00 C ATOM 536 CG1 VAL A 109 -3.539 2.028 -6.895 1.00 1.00 C ATOM 537 CG2 VAL A 109 -5.122 2.918 -5.145 1.00 1.00 C ATOM 0 H VAL A 109 -5.740 4.765 -7.184 1.00 1.00 H new ATOM 0 HA VAL A 109 -5.772 2.057 -8.408 1.00 1.00 H new ATOM 0 HB VAL A 109 -5.346 1.100 -6.238 1.00 1.00 H new ATOM 0 HG11 VAL A 109 -2.932 1.604 -6.095 1.00 1.00 H new ATOM 0 HG12 VAL A 109 -3.470 1.393 -7.778 1.00 1.00 H new ATOM 0 HG13 VAL A 109 -3.175 3.026 -7.137 1.00 1.00 H new ATOM 0 HG21 VAL A 109 -4.484 2.476 -4.379 1.00 1.00 H new ATOM 0 HG22 VAL A 109 -4.812 3.947 -5.326 1.00 1.00 H new ATOM 0 HG23 VAL A 109 -6.158 2.905 -4.806 1.00 1.00 H new ATOM 547 N ASN A 110 -8.097 1.775 -7.731 1.00 1.00 N ATOM 548 CA ASN A 110 -9.523 1.673 -7.468 1.00 1.00 C ATOM 549 C ASN A 110 -9.818 0.333 -6.792 1.00 1.00 C ATOM 550 O ASN A 110 -9.107 -0.646 -7.011 1.00 1.00 O ATOM 551 CB ASN A 110 -10.328 1.735 -8.768 1.00 1.00 C ATOM 552 CG ASN A 110 -10.009 0.539 -9.667 1.00 1.00 C ATOM 553 OD1 ASN A 110 -10.448 -0.575 -9.442 1.00 1.00 O ATOM 554 ND2 ASN A 110 -9.220 0.832 -10.698 1.00 1.00 N ATOM 0 H ASN A 110 -7.729 1.069 -8.368 1.00 1.00 H new ATOM 0 HA ASN A 110 -9.809 2.507 -6.827 1.00 1.00 H new ATOM 0 HB2 ASN A 110 -11.394 1.749 -8.540 1.00 1.00 H new ATOM 0 HB3 ASN A 110 -10.103 2.662 -9.296 1.00 1.00 H new ATOM 0 HD21 ASN A 110 -8.949 0.102 -11.357 1.00 1.00 H new ATOM 0 HD22 ASN A 110 -8.886 1.787 -10.830 1.00 1.00 H new ATOM 560 N VAL A 111 -10.868 0.332 -5.984 1.00 1.00 N ATOM 561 CA VAL A 111 -11.267 -0.871 -5.275 1.00 1.00 C ATOM 562 C VAL A 111 -11.114 -2.078 -6.203 1.00 1.00 C ATOM 563 O VAL A 111 -11.879 -2.234 -7.154 1.00 1.00 O ATOM 564 CB VAL A 111 -12.687 -0.711 -4.729 1.00 1.00 C ATOM 565 CG1 VAL A 111 -13.727 -0.995 -5.815 1.00 1.00 C ATOM 566 CG2 VAL A 111 -12.909 -1.606 -3.508 1.00 1.00 C ATOM 0 H VAL A 111 -11.455 1.147 -5.805 1.00 1.00 H new ATOM 0 HA VAL A 111 -10.621 -1.039 -4.414 1.00 1.00 H new ATOM 0 HB VAL A 111 -12.810 0.324 -4.411 1.00 1.00 H new ATOM 0 HG11 VAL A 111 -14.728 -0.874 -5.401 1.00 1.00 H new ATOM 0 HG12 VAL A 111 -13.590 -0.298 -6.641 1.00 1.00 H new ATOM 0 HG13 VAL A 111 -13.605 -2.016 -6.178 1.00 1.00 H new ATOM 0 HG21 VAL A 111 -13.926 -1.473 -3.140 1.00 1.00 H new ATOM 0 HG22 VAL A 111 -12.758 -2.648 -3.789 1.00 1.00 H new ATOM 0 HG23 VAL A 111 -12.201 -1.335 -2.725 1.00 1.00 H new ATOM 576 N GLY A 112 -10.124 -2.901 -5.893 1.00 1.00 N ATOM 577 CA GLY A 112 -9.862 -4.089 -6.687 1.00 1.00 C ATOM 578 C GLY A 112 -8.404 -4.129 -7.152 1.00 1.00 C ATOM 579 O GLY A 112 -7.826 -5.204 -7.303 1.00 1.00 O ATOM 0 H GLY A 112 -9.493 -2.769 -5.102 1.00 1.00 H new ATOM 0 HA2 GLY A 112 -10.084 -4.980 -6.099 1.00 1.00 H new ATOM 0 HA3 GLY A 112 -10.524 -4.105 -7.553 1.00 1.00 H new ATOM 583 N ASP A 113 -7.853 -2.943 -7.366 1.00 1.00 N ATOM 584 CA ASP A 113 -6.475 -2.828 -7.811 1.00 1.00 C ATOM 585 C ASP A 113 -5.539 -3.124 -6.638 1.00 1.00 C ATOM 586 O ASP A 113 -5.774 -2.667 -5.521 1.00 1.00 O ATOM 587 CB ASP A 113 -6.173 -1.414 -8.311 1.00 1.00 C ATOM 588 CG ASP A 113 -6.087 -1.271 -9.832 1.00 1.00 C ATOM 589 OD1 ASP A 113 -5.178 -0.615 -10.361 1.00 1.00 O ATOM 590 OD2 ASP A 113 -7.018 -1.875 -10.491 1.00 1.00 O ATOM 0 H ASP A 113 -8.336 -2.054 -7.239 1.00 1.00 H new ATOM 0 HA ASP A 113 -6.323 -3.538 -8.624 1.00 1.00 H new ATOM 0 HB2 ASP A 113 -6.946 -0.741 -7.941 1.00 1.00 H new ATOM 0 HB3 ASP A 113 -5.229 -1.085 -7.876 1.00 1.00 H new ATOM 595 N THR A 114 -4.496 -3.887 -6.932 1.00 1.00 N ATOM 596 CA THR A 114 -3.524 -4.250 -5.915 1.00 1.00 C ATOM 597 C THR A 114 -2.964 -2.995 -5.240 1.00 1.00 C ATOM 598 O THR A 114 -3.280 -1.877 -5.643 1.00 1.00 O ATOM 599 CB THR A 114 -2.448 -5.114 -6.577 1.00 1.00 C ATOM 600 OG1 THR A 114 -3.173 -6.212 -7.124 1.00 1.00 O ATOM 601 CG2 THR A 114 -1.508 -5.761 -5.557 1.00 1.00 C ATOM 0 H THR A 114 -4.303 -4.264 -7.860 1.00 1.00 H new ATOM 0 HA THR A 114 -3.985 -4.832 -5.117 1.00 1.00 H new ATOM 0 HB THR A 114 -1.869 -4.504 -7.270 1.00 1.00 H new ATOM 0 HG1 THR A 114 -2.552 -6.822 -7.574 1.00 1.00 H new ATOM 0 HG21 THR A 114 -0.764 -6.363 -6.079 1.00 1.00 H new ATOM 0 HG22 THR A 114 -1.007 -4.984 -4.980 1.00 1.00 H new ATOM 0 HG23 THR A 114 -2.083 -6.398 -4.885 1.00 1.00 H new ATOM 609 N LEU A 115 -2.145 -3.224 -4.225 1.00 1.00 N ATOM 610 CA LEU A 115 -1.539 -2.126 -3.491 1.00 1.00 C ATOM 611 C LEU A 115 -0.063 -2.441 -3.236 1.00 1.00 C ATOM 612 O LEU A 115 0.801 -1.591 -3.447 1.00 1.00 O ATOM 613 CB LEU A 115 -2.333 -1.831 -2.217 1.00 1.00 C ATOM 614 CG LEU A 115 -2.710 -0.366 -1.985 1.00 1.00 C ATOM 615 CD1 LEU A 115 -3.407 0.221 -3.213 1.00 1.00 C ATOM 616 CD2 LEU A 115 -3.553 -0.211 -0.717 1.00 1.00 C ATOM 0 H LEU A 115 -1.887 -4.153 -3.893 1.00 1.00 H new ATOM 0 HA LEU A 115 -1.573 -1.210 -4.080 1.00 1.00 H new ATOM 0 HB2 LEU A 115 -3.249 -2.422 -2.238 1.00 1.00 H new ATOM 0 HB3 LEU A 115 -1.751 -2.175 -1.362 1.00 1.00 H new ATOM 0 HG LEU A 115 -1.793 0.203 -1.833 1.00 1.00 H new ATOM 0 HD11 LEU A 115 -3.664 1.263 -3.022 1.00 1.00 H new ATOM 0 HD12 LEU A 115 -2.739 0.164 -4.072 1.00 1.00 H new ATOM 0 HD13 LEU A 115 -4.315 -0.345 -3.421 1.00 1.00 H new ATOM 0 HD21 LEU A 115 -3.807 0.839 -0.575 1.00 1.00 H new ATOM 0 HD22 LEU A 115 -4.468 -0.796 -0.814 1.00 1.00 H new ATOM 0 HD23 LEU A 115 -2.985 -0.566 0.143 1.00 1.00 H new ATOM 627 N CYS A 116 0.179 -3.663 -2.787 1.00 1.00 N ATOM 628 CA CYS A 116 1.535 -4.100 -2.503 1.00 1.00 C ATOM 629 C CYS A 116 1.484 -5.562 -2.054 1.00 1.00 C ATOM 630 O CYS A 116 0.535 -6.278 -2.367 1.00 1.00 O ATOM 631 CB CYS A 116 2.210 -3.207 -1.459 1.00 1.00 C ATOM 632 SG CYS A 116 1.579 -3.608 0.210 1.00 1.00 S ATOM 0 H CYS A 116 -0.541 -4.364 -2.613 1.00 1.00 H new ATOM 0 HA CYS A 116 2.143 -4.018 -3.404 1.00 1.00 H new ATOM 0 HB2 CYS A 116 3.290 -3.348 -1.492 1.00 1.00 H new ATOM 0 HB3 CYS A 116 2.018 -2.158 -1.687 1.00 1.00 H new ATOM 0 HG CYS A 116 2.477 -3.300 1.099 1.00 1.00 H new ATOM 637 N ILE A 117 2.518 -5.962 -1.328 1.00 1.00 N ATOM 638 CA ILE A 117 2.603 -7.326 -0.833 1.00 1.00 C ATOM 639 C ILE A 117 3.186 -7.315 0.580 1.00 1.00 C ATOM 640 O ILE A 117 3.898 -6.384 0.956 1.00 1.00 O ATOM 641 CB ILE A 117 3.384 -8.203 -1.814 1.00 1.00 C ATOM 642 CG1 ILE A 117 2.851 -8.042 -3.240 1.00 1.00 C ATOM 643 CG2 ILE A 117 3.381 -9.665 -1.364 1.00 1.00 C ATOM 644 CD1 ILE A 117 3.271 -9.221 -4.119 1.00 1.00 C ATOM 0 H ILE A 117 3.304 -5.365 -1.071 1.00 1.00 H new ATOM 0 HA ILE A 117 1.610 -7.770 -0.765 1.00 1.00 H new ATOM 0 HB ILE A 117 4.421 -7.869 -1.819 1.00 1.00 H new ATOM 0 HG12 ILE A 117 1.764 -7.968 -3.219 1.00 1.00 H new ATOM 0 HG13 ILE A 117 3.225 -7.113 -3.669 1.00 1.00 H new ATOM 0 HG21 ILE A 117 3.943 -10.267 -2.078 1.00 1.00 H new ATOM 0 HG22 ILE A 117 3.844 -9.744 -0.380 1.00 1.00 H new ATOM 0 HG23 ILE A 117 2.354 -10.028 -1.312 1.00 1.00 H new ATOM 0 HD11 ILE A 117 2.879 -9.081 -5.127 1.00 1.00 H new ATOM 0 HD12 ILE A 117 4.359 -9.277 -4.157 1.00 1.00 H new ATOM 0 HD13 ILE A 117 2.875 -10.146 -3.701 1.00 1.00 H new ATOM 655 N VAL A 118 2.862 -8.360 1.327 1.00 1.00 N ATOM 656 CA VAL A 118 3.345 -8.483 2.693 1.00 1.00 C ATOM 657 C VAL A 118 3.699 -9.945 2.974 1.00 1.00 C ATOM 658 O VAL A 118 2.905 -10.844 2.701 1.00 1.00 O ATOM 659 CB VAL A 118 2.308 -7.922 3.667 1.00 1.00 C ATOM 660 CG1 VAL A 118 2.524 -8.475 5.077 1.00 1.00 C ATOM 661 CG2 VAL A 118 2.330 -6.392 3.670 1.00 1.00 C ATOM 0 H VAL A 118 2.271 -9.130 1.013 1.00 1.00 H new ATOM 0 HA VAL A 118 4.253 -7.896 2.832 1.00 1.00 H new ATOM 0 HB VAL A 118 1.323 -8.243 3.328 1.00 1.00 H new ATOM 0 HG11 VAL A 118 1.773 -8.060 5.750 1.00 1.00 H new ATOM 0 HG12 VAL A 118 2.435 -9.561 5.059 1.00 1.00 H new ATOM 0 HG13 VAL A 118 3.518 -8.198 5.428 1.00 1.00 H new ATOM 0 HG21 VAL A 118 1.583 -6.019 4.371 1.00 1.00 H new ATOM 0 HG22 VAL A 118 3.317 -6.043 3.972 1.00 1.00 H new ATOM 0 HG23 VAL A 118 2.105 -6.023 2.669 1.00 1.00 H new ATOM 671 N GLU A 119 4.893 -10.137 3.516 1.00 1.00 N ATOM 672 CA GLU A 119 5.363 -11.474 3.837 1.00 1.00 C ATOM 673 C GLU A 119 4.926 -11.865 5.251 1.00 1.00 C ATOM 674 O GLU A 119 5.051 -11.072 6.183 1.00 1.00 O ATOM 675 CB GLU A 119 6.881 -11.573 3.685 1.00 1.00 C ATOM 676 CG GLU A 119 7.280 -12.880 2.995 1.00 1.00 C ATOM 677 CD GLU A 119 8.664 -12.762 2.354 1.00 1.00 C ATOM 678 OE1 GLU A 119 9.671 -12.649 3.070 1.00 1.00 O ATOM 679 OE2 GLU A 119 8.672 -12.791 1.064 1.00 1.00 O ATOM 0 H GLU A 119 5.549 -9.389 3.741 1.00 1.00 H new ATOM 0 HA GLU A 119 4.915 -12.174 3.132 1.00 1.00 H new ATOM 0 HB2 GLU A 119 7.248 -10.725 3.106 1.00 1.00 H new ATOM 0 HB3 GLU A 119 7.353 -11.517 4.666 1.00 1.00 H new ATOM 0 HG2 GLU A 119 7.280 -13.693 3.721 1.00 1.00 H new ATOM 0 HG3 GLU A 119 6.543 -13.133 2.233 1.00 1.00 H new ATOM 685 N ALA A 120 4.423 -13.086 5.364 1.00 1.00 N ATOM 686 CA ALA A 120 3.968 -13.591 6.648 1.00 1.00 C ATOM 687 C ALA A 120 3.530 -15.049 6.492 1.00 1.00 C ATOM 688 O ALA A 120 3.414 -15.548 5.374 1.00 1.00 O ATOM 689 CB ALA A 120 2.844 -12.698 7.178 1.00 1.00 C ATOM 0 H ALA A 120 4.321 -13.740 4.588 1.00 1.00 H new ATOM 0 HA ALA A 120 4.777 -13.566 7.379 1.00 1.00 H new ATOM 0 HB1 ALA A 120 2.502 -13.076 8.141 1.00 1.00 H new ATOM 0 HB2 ALA A 120 3.214 -11.680 7.299 1.00 1.00 H new ATOM 0 HB3 ALA A 120 2.014 -12.701 6.472 1.00 1.00 H new ATOM 695 N MET A 121 3.301 -15.689 7.628 1.00 1.00 N ATOM 696 CA MET A 121 2.878 -17.079 7.632 1.00 1.00 C ATOM 697 C MET A 121 3.671 -17.895 6.608 1.00 1.00 C ATOM 698 O MET A 121 3.095 -18.671 5.848 1.00 1.00 O ATOM 699 CB MET A 121 1.386 -17.160 7.305 1.00 1.00 C ATOM 700 CG MET A 121 1.098 -16.599 5.911 1.00 1.00 C ATOM 701 SD MET A 121 -0.579 -16.977 5.435 1.00 1.00 S ATOM 702 CE MET A 121 -1.438 -15.632 6.234 1.00 1.00 C ATOM 0 H MET A 121 3.400 -15.271 8.553 1.00 1.00 H new ATOM 0 HA MET A 121 3.064 -17.494 8.623 1.00 1.00 H new ATOM 0 HB2 MET A 121 1.054 -18.197 7.359 1.00 1.00 H new ATOM 0 HB3 MET A 121 0.816 -16.604 8.049 1.00 1.00 H new ATOM 0 HG2 MET A 121 1.252 -15.520 5.905 1.00 1.00 H new ATOM 0 HG3 MET A 121 1.794 -17.024 5.188 1.00 1.00 H new ATOM 0 HE1 MET A 121 -2.448 -15.555 5.831 1.00 1.00 H new ATOM 0 HE2 MET A 121 -1.489 -15.819 7.307 1.00 1.00 H new ATOM 0 HE3 MET A 121 -0.903 -14.700 6.053 1.00 1.00 H new ATOM 710 N LYS A 122 4.980 -17.692 6.624 1.00 1.00 N ATOM 711 CA LYS A 122 5.858 -18.399 5.706 1.00 1.00 C ATOM 712 C LYS A 122 5.205 -18.452 4.323 1.00 1.00 C ATOM 713 O LYS A 122 5.089 -19.523 3.728 1.00 1.00 O ATOM 714 CB LYS A 122 6.223 -19.775 6.267 1.00 1.00 C ATOM 715 CG LYS A 122 7.566 -20.254 5.713 1.00 1.00 C ATOM 716 CD LYS A 122 8.135 -21.392 6.563 1.00 1.00 C ATOM 717 CE LYS A 122 9.589 -21.115 6.949 1.00 1.00 C ATOM 718 NZ LYS A 122 9.664 -19.993 7.912 1.00 1.00 N ATOM 0 H LYS A 122 5.454 -17.048 7.258 1.00 1.00 H new ATOM 0 HA LYS A 122 6.802 -17.866 5.594 1.00 1.00 H new ATOM 0 HB2 LYS A 122 6.271 -19.727 7.355 1.00 1.00 H new ATOM 0 HB3 LYS A 122 5.444 -20.494 6.013 1.00 1.00 H new ATOM 0 HG2 LYS A 122 7.440 -20.592 4.684 1.00 1.00 H new ATOM 0 HG3 LYS A 122 8.272 -19.424 5.691 1.00 1.00 H new ATOM 0 HD2 LYS A 122 7.533 -21.514 7.463 1.00 1.00 H new ATOM 0 HD3 LYS A 122 8.074 -22.329 6.010 1.00 1.00 H new ATOM 0 HE2 LYS A 122 10.032 -22.009 7.388 1.00 1.00 H new ATOM 0 HE3 LYS A 122 10.169 -20.877 6.058 1.00 1.00 H new ATOM 0 HZ1 LYS A 122 10.599 -19.989 8.368 1.00 1.00 H new ATOM 0 HZ2 LYS A 122 9.520 -19.094 7.409 1.00 1.00 H new ATOM 0 HZ3 LYS A 122 8.926 -20.107 8.636 1.00 1.00 H new ATOM 727 N MET A 123 4.797 -17.283 3.850 1.00 1.00 N ATOM 728 CA MET A 123 4.160 -17.184 2.548 1.00 1.00 C ATOM 729 C MET A 123 3.851 -15.727 2.201 1.00 1.00 C ATOM 730 O MET A 123 3.724 -14.886 3.089 1.00 1.00 O ATOM 731 CB MET A 123 2.864 -17.996 2.550 1.00 1.00 C ATOM 732 CG MET A 123 2.849 -19.009 1.405 1.00 1.00 C ATOM 733 SD MET A 123 2.961 -20.668 2.055 1.00 1.00 S ATOM 734 CE MET A 123 4.470 -21.208 1.268 1.00 1.00 C ATOM 0 H MET A 123 4.895 -16.397 4.345 1.00 1.00 H new ATOM 0 HA MET A 123 4.844 -17.580 1.797 1.00 1.00 H new ATOM 0 HB2 MET A 123 2.759 -18.516 3.502 1.00 1.00 H new ATOM 0 HB3 MET A 123 2.010 -17.325 2.457 1.00 1.00 H new ATOM 0 HG2 MET A 123 1.934 -18.899 0.823 1.00 1.00 H new ATOM 0 HG3 MET A 123 3.682 -18.818 0.728 1.00 1.00 H new ATOM 0 HE1 MET A 123 4.843 -22.101 1.770 1.00 1.00 H new ATOM 0 HE2 MET A 123 4.273 -21.436 0.221 1.00 1.00 H new ATOM 0 HE3 MET A 123 5.217 -20.417 1.332 1.00 1.00 H new ATOM 742 N MET A 124 3.738 -15.472 0.905 1.00 1.00 N ATOM 743 CA MET A 124 3.444 -14.131 0.429 1.00 1.00 C ATOM 744 C MET A 124 1.961 -13.799 0.605 1.00 1.00 C ATOM 745 O MET A 124 1.103 -14.662 0.434 1.00 1.00 O ATOM 746 CB MET A 124 3.820 -14.022 -1.051 1.00 1.00 C ATOM 747 CG MET A 124 2.751 -14.665 -1.937 1.00 1.00 C ATOM 748 SD MET A 124 3.521 -15.495 -3.317 1.00 1.00 S ATOM 749 CE MET A 124 2.403 -15.023 -4.626 1.00 1.00 C ATOM 0 H MET A 124 3.845 -16.172 0.170 1.00 1.00 H new ATOM 0 HA MET A 124 4.027 -13.421 1.015 1.00 1.00 H new ATOM 0 HB2 MET A 124 3.940 -12.973 -1.323 1.00 1.00 H new ATOM 0 HB3 MET A 124 4.780 -14.508 -1.223 1.00 1.00 H new ATOM 0 HG2 MET A 124 2.164 -15.376 -1.355 1.00 1.00 H new ATOM 0 HG3 MET A 124 2.061 -13.903 -2.299 1.00 1.00 H new ATOM 0 HE1 MET A 124 2.708 -15.503 -5.556 1.00 1.00 H new ATOM 0 HE2 MET A 124 1.391 -15.337 -4.371 1.00 1.00 H new ATOM 0 HE3 MET A 124 2.426 -13.941 -4.752 1.00 1.00 H new ATOM 757 N ASN A 125 1.706 -12.544 0.945 1.00 1.00 N ATOM 758 CA ASN A 125 0.342 -12.086 1.146 1.00 1.00 C ATOM 759 C ASN A 125 0.156 -10.731 0.461 1.00 1.00 C ATOM 760 O ASN A 125 0.539 -9.697 1.008 1.00 1.00 O ATOM 761 CB ASN A 125 0.034 -11.910 2.634 1.00 1.00 C ATOM 762 CG ASN A 125 0.183 -13.234 3.385 1.00 1.00 C ATOM 763 OD1 ASN A 125 -0.769 -13.968 3.596 1.00 1.00 O ATOM 764 ND2 ASN A 125 1.426 -13.497 3.777 1.00 1.00 N ATOM 0 H ASN A 125 2.421 -11.830 1.086 1.00 1.00 H new ATOM 0 HA ASN A 125 -0.330 -12.834 0.724 1.00 1.00 H new ATOM 0 HB2 ASN A 125 0.706 -11.167 3.063 1.00 1.00 H new ATOM 0 HB3 ASN A 125 -0.980 -11.530 2.757 1.00 1.00 H new ATOM 0 HD21 ASN A 125 1.629 -14.357 4.287 1.00 1.00 H new ATOM 0 HD22 ASN A 125 2.177 -12.839 3.567 1.00 1.00 H new ATOM 770 N GLN A 126 -0.431 -10.778 -0.726 1.00 1.00 N ATOM 771 CA GLN A 126 -0.671 -9.566 -1.491 1.00 1.00 C ATOM 772 C GLN A 126 -1.714 -8.694 -0.790 1.00 1.00 C ATOM 773 O GLN A 126 -2.543 -9.198 -0.033 1.00 1.00 O ATOM 774 CB GLN A 126 -1.104 -9.898 -2.921 1.00 1.00 C ATOM 775 CG GLN A 126 0.110 -10.130 -3.822 1.00 1.00 C ATOM 776 CD GLN A 126 -0.149 -11.273 -4.807 1.00 1.00 C ATOM 777 OE1 GLN A 126 -0.618 -11.076 -5.915 1.00 1.00 O ATOM 778 NE2 GLN A 126 0.183 -12.474 -4.341 1.00 1.00 N ATOM 0 H GLN A 126 -0.748 -11.637 -1.177 1.00 1.00 H new ATOM 0 HA GLN A 126 0.262 -9.005 -1.550 1.00 1.00 H new ATOM 0 HB2 GLN A 126 -1.733 -10.788 -2.917 1.00 1.00 H new ATOM 0 HB3 GLN A 126 -1.707 -9.083 -3.321 1.00 1.00 H new ATOM 0 HG2 GLN A 126 0.340 -9.217 -4.371 1.00 1.00 H new ATOM 0 HG3 GLN A 126 0.982 -10.362 -3.211 1.00 1.00 H new ATOM 0 HE21 GLN A 126 0.571 -12.567 -3.402 1.00 1.00 H new ATOM 0 HE22 GLN A 126 0.049 -13.301 -4.922 1.00 1.00 H new ATOM 785 N ILE A 127 -1.640 -7.401 -1.067 1.00 1.00 N ATOM 786 CA ILE A 127 -2.568 -6.454 -0.474 1.00 1.00 C ATOM 787 C ILE A 127 -3.386 -5.785 -1.580 1.00 1.00 C ATOM 788 O ILE A 127 -2.837 -5.072 -2.419 1.00 1.00 O ATOM 789 CB ILE A 127 -1.822 -5.464 0.423 1.00 1.00 C ATOM 790 CG1 ILE A 127 -0.894 -6.196 1.395 1.00 1.00 C ATOM 791 CG2 ILE A 127 -2.800 -4.539 1.150 1.00 1.00 C ATOM 792 CD1 ILE A 127 -1.629 -6.553 2.689 1.00 1.00 C ATOM 0 H ILE A 127 -0.951 -6.987 -1.695 1.00 1.00 H new ATOM 0 HA ILE A 127 -3.274 -6.970 0.177 1.00 1.00 H new ATOM 0 HB ILE A 127 -1.194 -4.836 -0.209 1.00 1.00 H new ATOM 0 HG12 ILE A 127 -0.513 -7.103 0.926 1.00 1.00 H new ATOM 0 HG13 ILE A 127 -0.032 -5.569 1.623 1.00 1.00 H new ATOM 0 HG21 ILE A 127 -2.244 -3.845 1.781 1.00 1.00 H new ATOM 0 HG22 ILE A 127 -3.382 -3.978 0.419 1.00 1.00 H new ATOM 0 HG23 ILE A 127 -3.472 -5.134 1.769 1.00 1.00 H new ATOM 0 HD11 ILE A 127 -0.948 -7.072 3.363 1.00 1.00 H new ATOM 0 HD12 ILE A 127 -1.988 -5.641 3.167 1.00 1.00 H new ATOM 0 HD13 ILE A 127 -2.476 -7.200 2.460 1.00 1.00 H new ATOM 803 N GLU A 128 -4.687 -6.039 -1.546 1.00 1.00 N ATOM 804 CA GLU A 128 -5.585 -5.471 -2.536 1.00 1.00 C ATOM 805 C GLU A 128 -6.210 -4.179 -2.005 1.00 1.00 C ATOM 806 O GLU A 128 -6.578 -4.098 -0.834 1.00 1.00 O ATOM 807 CB GLU A 128 -6.666 -6.477 -2.938 1.00 1.00 C ATOM 808 CG GLU A 128 -6.454 -6.965 -4.372 1.00 1.00 C ATOM 809 CD GLU A 128 -6.606 -8.485 -4.462 1.00 1.00 C ATOM 810 OE1 GLU A 128 -5.678 -9.175 -4.908 1.00 1.00 O ATOM 811 OE2 GLU A 128 -7.737 -8.946 -4.047 1.00 1.00 O ATOM 0 H GLU A 128 -5.139 -6.630 -0.849 1.00 1.00 H new ATOM 0 HA GLU A 128 -5.007 -5.233 -3.429 1.00 1.00 H new ATOM 0 HB2 GLU A 128 -6.650 -7.326 -2.255 1.00 1.00 H new ATOM 0 HB3 GLU A 128 -7.649 -6.015 -2.849 1.00 1.00 H new ATOM 0 HG2 GLU A 128 -7.174 -6.484 -5.034 1.00 1.00 H new ATOM 0 HG3 GLU A 128 -5.461 -6.674 -4.716 1.00 1.00 H new ATOM 817 N ALA A 129 -6.311 -3.200 -2.893 1.00 1.00 N ATOM 818 CA ALA A 129 -6.884 -1.916 -2.529 1.00 1.00 C ATOM 819 C ALA A 129 -8.310 -2.126 -2.014 1.00 1.00 C ATOM 820 O ALA A 129 -9.097 -2.843 -2.631 1.00 1.00 O ATOM 821 CB ALA A 129 -6.832 -0.973 -3.733 1.00 1.00 C ATOM 0 H ALA A 129 -6.005 -3.271 -3.864 1.00 1.00 H new ATOM 0 HA ALA A 129 -6.309 -1.453 -1.727 1.00 1.00 H new ATOM 0 HB1 ALA A 129 -7.262 -0.010 -3.459 1.00 1.00 H new ATOM 0 HB2 ALA A 129 -5.796 -0.833 -4.041 1.00 1.00 H new ATOM 0 HB3 ALA A 129 -7.401 -1.403 -4.557 1.00 1.00 H new ATOM 827 N ASP A 130 -8.600 -1.488 -0.890 1.00 1.00 N ATOM 828 CA ASP A 130 -9.917 -1.597 -0.286 1.00 1.00 C ATOM 829 C ASP A 130 -10.521 -0.198 -0.137 1.00 1.00 C ATOM 830 O ASP A 130 -11.485 -0.011 0.604 1.00 1.00 O ATOM 831 CB ASP A 130 -9.834 -2.226 1.107 1.00 1.00 C ATOM 832 CG ASP A 130 -8.705 -1.693 1.990 1.00 1.00 C ATOM 833 OD1 ASP A 130 -7.936 -2.467 2.579 1.00 1.00 O ATOM 834 OD2 ASP A 130 -8.631 -0.407 2.065 1.00 1.00 O ATOM 0 H ASP A 130 -7.945 -0.894 -0.381 1.00 1.00 H new ATOM 0 HA ASP A 130 -10.533 -2.225 -0.929 1.00 1.00 H new ATOM 0 HB2 ASP A 130 -10.783 -2.065 1.619 1.00 1.00 H new ATOM 0 HB3 ASP A 130 -9.711 -3.303 0.996 1.00 1.00 H new ATOM 839 N LYS A 131 -9.932 0.745 -0.855 1.00 1.00 N ATOM 840 CA LYS A 131 -10.400 2.120 -0.813 1.00 1.00 C ATOM 841 C LYS A 131 -9.675 2.935 -1.886 1.00 1.00 C ATOM 842 O LYS A 131 -8.605 3.488 -1.633 1.00 1.00 O ATOM 843 CB LYS A 131 -10.254 2.694 0.598 1.00 1.00 C ATOM 844 CG LYS A 131 -11.471 3.540 0.975 1.00 1.00 C ATOM 845 CD LYS A 131 -11.124 4.538 2.081 1.00 1.00 C ATOM 846 CE LYS A 131 -12.340 4.822 2.966 1.00 1.00 C ATOM 847 NZ LYS A 131 -12.454 6.272 3.239 1.00 1.00 N ATOM 0 H LYS A 131 -9.134 0.585 -1.470 1.00 1.00 H new ATOM 0 HA LYS A 131 -11.465 2.166 -1.042 1.00 1.00 H new ATOM 0 HB2 LYS A 131 -10.136 1.881 1.315 1.00 1.00 H new ATOM 0 HB3 LYS A 131 -9.352 3.303 0.655 1.00 1.00 H new ATOM 0 HG2 LYS A 131 -11.832 4.076 0.097 1.00 1.00 H new ATOM 0 HG3 LYS A 131 -12.281 2.891 1.307 1.00 1.00 H new ATOM 0 HD2 LYS A 131 -10.311 4.143 2.690 1.00 1.00 H new ATOM 0 HD3 LYS A 131 -10.767 5.468 1.638 1.00 1.00 H new ATOM 0 HE2 LYS A 131 -13.246 4.466 2.475 1.00 1.00 H new ATOM 0 HE3 LYS A 131 -12.250 4.275 3.905 1.00 1.00 H new ATOM 0 HZ1 LYS A 131 -13.284 6.448 3.841 1.00 1.00 H new ATOM 0 HZ2 LYS A 131 -11.597 6.602 3.727 1.00 1.00 H new ATOM 0 HZ3 LYS A 131 -12.562 6.787 2.342 1.00 1.00 H new ATOM 856 N SER A 132 -10.285 2.983 -3.061 1.00 1.00 N ATOM 857 CA SER A 132 -9.711 3.721 -4.173 1.00 1.00 C ATOM 858 C SER A 132 -9.089 5.025 -3.670 1.00 1.00 C ATOM 859 O SER A 132 -9.696 5.743 -2.878 1.00 1.00 O ATOM 860 CB SER A 132 -10.766 4.015 -5.242 1.00 1.00 C ATOM 861 OG SER A 132 -11.721 4.974 -4.800 1.00 1.00 O ATOM 0 H SER A 132 -11.171 2.523 -3.267 1.00 1.00 H new ATOM 0 HA SER A 132 -8.934 3.106 -4.627 1.00 1.00 H new ATOM 0 HB2 SER A 132 -10.276 4.381 -6.144 1.00 1.00 H new ATOM 0 HB3 SER A 132 -11.278 3.091 -5.510 1.00 1.00 H new ATOM 0 HG SER A 132 -12.376 5.135 -5.511 1.00 1.00 H new ATOM 866 N GLY A 133 -7.882 5.291 -4.150 1.00 1.00 N ATOM 867 CA GLY A 133 -7.170 6.496 -3.758 1.00 1.00 C ATOM 868 C GLY A 133 -5.989 6.762 -4.694 1.00 1.00 C ATOM 869 O GLY A 133 -5.828 6.082 -5.706 1.00 1.00 O ATOM 0 H GLY A 133 -7.380 4.693 -4.806 1.00 1.00 H new ATOM 0 HA2 GLY A 133 -7.851 7.347 -3.774 1.00 1.00 H new ATOM 0 HA3 GLY A 133 -6.812 6.394 -2.734 1.00 1.00 H new ATOM 873 N THR A 134 -5.194 7.756 -4.324 1.00 1.00 N ATOM 874 CA THR A 134 -4.033 8.121 -5.117 1.00 1.00 C ATOM 875 C THR A 134 -2.780 8.163 -4.241 1.00 1.00 C ATOM 876 O THR A 134 -2.853 8.507 -3.063 1.00 1.00 O ATOM 877 CB THR A 134 -4.335 9.452 -5.810 1.00 1.00 C ATOM 878 OG1 THR A 134 -5.355 9.130 -6.750 1.00 1.00 O ATOM 879 CG2 THR A 134 -3.169 9.939 -6.674 1.00 1.00 C ATOM 0 H THR A 134 -5.332 8.320 -3.485 1.00 1.00 H new ATOM 0 HA THR A 134 -3.828 7.376 -5.886 1.00 1.00 H new ATOM 0 HB THR A 134 -4.571 10.207 -5.060 1.00 1.00 H new ATOM 0 HG1 THR A 134 -5.612 9.937 -7.243 1.00 1.00 H new ATOM 0 HG21 THR A 134 -3.435 10.886 -7.143 1.00 1.00 H new ATOM 0 HG22 THR A 134 -2.287 10.078 -6.049 1.00 1.00 H new ATOM 0 HG23 THR A 134 -2.954 9.200 -7.446 1.00 1.00 H new ATOM 887 N VAL A 135 -1.659 7.806 -4.850 1.00 1.00 N ATOM 888 CA VAL A 135 -0.391 7.798 -4.141 1.00 1.00 C ATOM 889 C VAL A 135 -0.294 9.047 -3.263 1.00 1.00 C ATOM 890 O VAL A 135 -1.017 10.019 -3.479 1.00 1.00 O ATOM 891 CB VAL A 135 0.764 7.675 -5.135 1.00 1.00 C ATOM 892 CG1 VAL A 135 0.864 8.922 -6.016 1.00 1.00 C ATOM 893 CG2 VAL A 135 2.085 7.409 -4.411 1.00 1.00 C ATOM 0 H VAL A 135 -1.603 7.520 -5.827 1.00 1.00 H new ATOM 0 HA VAL A 135 -0.328 6.932 -3.482 1.00 1.00 H new ATOM 0 HB VAL A 135 0.559 6.822 -5.782 1.00 1.00 H new ATOM 0 HG11 VAL A 135 1.693 8.809 -6.714 1.00 1.00 H new ATOM 0 HG12 VAL A 135 -0.064 9.049 -6.573 1.00 1.00 H new ATOM 0 HG13 VAL A 135 1.034 9.798 -5.389 1.00 1.00 H new ATOM 0 HG21 VAL A 135 2.890 7.326 -5.141 1.00 1.00 H new ATOM 0 HG22 VAL A 135 2.298 8.232 -3.728 1.00 1.00 H new ATOM 0 HG23 VAL A 135 2.010 6.480 -3.847 1.00 1.00 H new ATOM 903 N LYS A 136 0.604 8.981 -2.291 1.00 1.00 N ATOM 904 CA LYS A 136 0.804 10.095 -1.380 1.00 1.00 C ATOM 905 C LYS A 136 2.248 10.081 -0.874 1.00 1.00 C ATOM 906 O LYS A 136 2.911 11.117 -0.851 1.00 1.00 O ATOM 907 CB LYS A 136 -0.240 10.066 -0.262 1.00 1.00 C ATOM 908 CG LYS A 136 -0.865 11.448 -0.060 1.00 1.00 C ATOM 909 CD LYS A 136 0.025 12.331 0.817 1.00 1.00 C ATOM 910 CE LYS A 136 0.492 13.569 0.052 1.00 1.00 C ATOM 911 NZ LYS A 136 -0.573 14.597 0.029 1.00 1.00 N ATOM 0 H LYS A 136 1.201 8.173 -2.115 1.00 1.00 H new ATOM 0 HA LYS A 136 0.657 11.043 -1.898 1.00 1.00 H new ATOM 0 HB2 LYS A 136 -1.018 9.343 -0.505 1.00 1.00 H new ATOM 0 HB3 LYS A 136 0.225 9.734 0.666 1.00 1.00 H new ATOM 0 HG2 LYS A 136 -1.018 11.927 -1.027 1.00 1.00 H new ATOM 0 HG3 LYS A 136 -1.847 11.343 0.402 1.00 1.00 H new ATOM 0 HD2 LYS A 136 -0.524 12.635 1.708 1.00 1.00 H new ATOM 0 HD3 LYS A 136 0.890 11.760 1.155 1.00 1.00 H new ATOM 0 HE2 LYS A 136 1.388 13.976 0.520 1.00 1.00 H new ATOM 0 HE3 LYS A 136 0.762 13.293 -0.968 1.00 1.00 H new ATOM 0 HZ1 LYS A 136 -0.239 15.431 -0.495 1.00 1.00 H new ATOM 0 HZ2 LYS A 136 -1.418 14.211 -0.438 1.00 1.00 H new ATOM 0 HZ3 LYS A 136 -0.811 14.872 1.003 1.00 1.00 H new ATOM 920 N ALA A 137 2.692 8.896 -0.481 1.00 1.00 N ATOM 921 CA ALA A 137 4.045 8.735 0.023 1.00 1.00 C ATOM 922 C ALA A 137 4.203 7.329 0.607 1.00 1.00 C ATOM 923 O ALA A 137 3.352 6.871 1.369 1.00 1.00 O ATOM 924 CB ALA A 137 4.343 9.830 1.050 1.00 1.00 C ATOM 0 H ALA A 137 2.139 8.039 -0.501 1.00 1.00 H new ATOM 0 HA ALA A 137 4.770 8.841 -0.784 1.00 1.00 H new ATOM 0 HB1 ALA A 137 5.358 9.708 1.427 1.00 1.00 H new ATOM 0 HB2 ALA A 137 4.246 10.808 0.578 1.00 1.00 H new ATOM 0 HB3 ALA A 137 3.637 9.755 1.877 1.00 1.00 H new ATOM 930 N ILE A 138 5.296 6.684 0.227 1.00 1.00 N ATOM 931 CA ILE A 138 5.575 5.341 0.704 1.00 1.00 C ATOM 932 C ILE A 138 6.671 5.399 1.770 1.00 1.00 C ATOM 933 O ILE A 138 7.713 6.021 1.561 1.00 1.00 O ATOM 934 CB ILE A 138 5.907 4.415 -0.468 1.00 1.00 C ATOM 935 CG1 ILE A 138 5.170 4.850 -1.735 1.00 1.00 C ATOM 936 CG2 ILE A 138 5.620 2.954 -0.111 1.00 1.00 C ATOM 937 CD1 ILE A 138 6.057 5.745 -2.605 1.00 1.00 C ATOM 0 H ILE A 138 5.999 7.067 -0.406 1.00 1.00 H new ATOM 0 HA ILE A 138 4.691 4.915 1.178 1.00 1.00 H new ATOM 0 HB ILE A 138 6.975 4.493 -0.673 1.00 1.00 H new ATOM 0 HG12 ILE A 138 4.866 3.971 -2.303 1.00 1.00 H new ATOM 0 HG13 ILE A 138 4.260 5.386 -1.465 1.00 1.00 H new ATOM 0 HG21 ILE A 138 5.864 2.317 -0.961 1.00 1.00 H new ATOM 0 HG22 ILE A 138 6.226 2.663 0.747 1.00 1.00 H new ATOM 0 HG23 ILE A 138 4.564 2.840 0.136 1.00 1.00 H new ATOM 0 HD11 ILE A 138 5.509 6.041 -3.500 1.00 1.00 H new ATOM 0 HD12 ILE A 138 6.340 6.635 -2.042 1.00 1.00 H new ATOM 0 HD13 ILE A 138 6.955 5.198 -2.893 1.00 1.00 H new ATOM 948 N LEU A 139 6.399 4.746 2.889 1.00 1.00 N ATOM 949 CA LEU A 139 7.349 4.717 3.989 1.00 1.00 C ATOM 950 C LEU A 139 8.118 3.394 3.958 1.00 1.00 C ATOM 951 O LEU A 139 9.341 3.380 4.092 1.00 1.00 O ATOM 952 CB LEU A 139 6.639 4.983 5.318 1.00 1.00 C ATOM 953 CG LEU A 139 5.250 5.617 5.221 1.00 1.00 C ATOM 954 CD1 LEU A 139 4.595 5.716 6.600 1.00 1.00 C ATOM 955 CD2 LEU A 139 5.315 6.975 4.518 1.00 1.00 C ATOM 0 H LEU A 139 5.534 4.232 3.059 1.00 1.00 H new ATOM 0 HA LEU A 139 8.082 5.516 3.880 1.00 1.00 H new ATOM 0 HB2 LEU A 139 6.549 4.038 5.854 1.00 1.00 H new ATOM 0 HB3 LEU A 139 7.272 5.633 5.922 1.00 1.00 H new ATOM 0 HG LEU A 139 4.620 4.969 4.612 1.00 1.00 H new ATOM 0 HD11 LEU A 139 3.609 6.170 6.503 1.00 1.00 H new ATOM 0 HD12 LEU A 139 4.494 4.718 7.028 1.00 1.00 H new ATOM 0 HD13 LEU A 139 5.214 6.330 7.254 1.00 1.00 H new ATOM 0 HD21 LEU A 139 4.315 7.404 4.462 1.00 1.00 H new ATOM 0 HD22 LEU A 139 5.966 7.645 5.080 1.00 1.00 H new ATOM 0 HD23 LEU A 139 5.711 6.845 3.511 1.00 1.00 H new ATOM 966 N VAL A 140 7.370 2.315 3.781 1.00 1.00 N ATOM 967 CA VAL A 140 7.965 0.991 3.730 1.00 1.00 C ATOM 968 C VAL A 140 8.538 0.747 2.333 1.00 1.00 C ATOM 969 O VAL A 140 7.912 1.095 1.332 1.00 1.00 O ATOM 970 CB VAL A 140 6.937 -0.062 4.147 1.00 1.00 C ATOM 971 CG1 VAL A 140 5.757 -0.092 3.172 1.00 1.00 C ATOM 972 CG2 VAL A 140 7.584 -1.443 4.268 1.00 1.00 C ATOM 0 H VAL A 140 6.356 2.331 3.671 1.00 1.00 H new ATOM 0 HA VAL A 140 8.791 0.917 4.437 1.00 1.00 H new ATOM 0 HB VAL A 140 6.553 0.215 5.129 1.00 1.00 H new ATOM 0 HG11 VAL A 140 5.041 -0.849 3.491 1.00 1.00 H new ATOM 0 HG12 VAL A 140 5.272 0.884 3.158 1.00 1.00 H new ATOM 0 HG13 VAL A 140 6.117 -0.332 2.172 1.00 1.00 H new ATOM 0 HG21 VAL A 140 6.831 -2.173 4.566 1.00 1.00 H new ATOM 0 HG22 VAL A 140 8.009 -1.731 3.306 1.00 1.00 H new ATOM 0 HG23 VAL A 140 8.374 -1.410 5.018 1.00 1.00 H new ATOM 982 N GLU A 141 9.721 0.151 2.308 1.00 1.00 N ATOM 983 CA GLU A 141 10.385 -0.143 1.049 1.00 1.00 C ATOM 984 C GLU A 141 10.161 -1.607 0.662 1.00 1.00 C ATOM 985 O GLU A 141 9.524 -2.358 1.398 1.00 1.00 O ATOM 986 CB GLU A 141 11.878 0.182 1.127 1.00 1.00 C ATOM 987 CG GLU A 141 12.547 -0.589 2.266 1.00 1.00 C ATOM 988 CD GLU A 141 14.068 -0.427 2.217 1.00 1.00 C ATOM 989 OE1 GLU A 141 14.797 -1.430 2.163 1.00 1.00 O ATOM 990 OE2 GLU A 141 14.488 0.793 2.235 1.00 1.00 O ATOM 0 H GLU A 141 10.237 -0.136 3.140 1.00 1.00 H new ATOM 0 HA GLU A 141 9.950 0.489 0.274 1.00 1.00 H new ATOM 0 HB2 GLU A 141 12.359 -0.069 0.181 1.00 1.00 H new ATOM 0 HB3 GLU A 141 12.013 1.253 1.279 1.00 1.00 H new ATOM 0 HG2 GLU A 141 12.170 -0.230 3.224 1.00 1.00 H new ATOM 0 HG3 GLU A 141 12.288 -1.645 2.197 1.00 1.00 H new ATOM 996 N SER A 142 10.701 -1.969 -0.494 1.00 1.00 N ATOM 997 CA SER A 142 10.569 -3.328 -0.988 1.00 1.00 C ATOM 998 C SER A 142 11.551 -4.247 -0.258 1.00 1.00 C ATOM 999 O SER A 142 12.704 -4.376 -0.664 1.00 1.00 O ATOM 1000 CB SER A 142 10.806 -3.390 -2.498 1.00 1.00 C ATOM 1001 OG SER A 142 12.010 -2.728 -2.878 1.00 1.00 O ATOM 0 H SER A 142 11.230 -1.344 -1.102 1.00 1.00 H new ATOM 0 HA SER A 142 9.551 -3.666 -0.793 1.00 1.00 H new ATOM 0 HB2 SER A 142 10.850 -4.432 -2.815 1.00 1.00 H new ATOM 0 HB3 SER A 142 9.963 -2.934 -3.016 1.00 1.00 H new ATOM 0 HG SER A 142 12.742 -3.022 -2.297 1.00 1.00 H new ATOM 1006 N GLY A 143 11.056 -4.863 0.805 1.00 1.00 N ATOM 1007 CA GLY A 143 11.874 -5.767 1.596 1.00 1.00 C ATOM 1008 C GLY A 143 11.802 -5.414 3.083 1.00 1.00 C ATOM 1009 O GLY A 143 11.902 -6.292 3.939 1.00 1.00 O ATOM 0 H GLY A 143 10.098 -4.754 1.137 1.00 1.00 H new ATOM 0 HA2 GLY A 143 11.538 -6.793 1.446 1.00 1.00 H new ATOM 0 HA3 GLY A 143 12.909 -5.718 1.257 1.00 1.00 H new ATOM 1013 N GLN A 144 11.631 -4.127 3.345 1.00 1.00 N ATOM 1014 CA GLN A 144 11.544 -3.647 4.714 1.00 1.00 C ATOM 1015 C GLN A 144 10.476 -4.427 5.484 1.00 1.00 C ATOM 1016 O GLN A 144 9.486 -4.868 4.903 1.00 1.00 O ATOM 1017 CB GLN A 144 11.257 -2.144 4.751 1.00 1.00 C ATOM 1018 CG GLN A 144 12.453 -1.373 5.315 1.00 1.00 C ATOM 1019 CD GLN A 144 12.058 0.061 5.678 1.00 1.00 C ATOM 1020 OE1 GLN A 144 10.984 0.325 6.191 1.00 1.00 O ATOM 1021 NE2 GLN A 144 12.985 0.968 5.381 1.00 1.00 N ATOM 0 H GLN A 144 11.550 -3.401 2.633 1.00 1.00 H new ATOM 0 HA GLN A 144 12.507 -3.813 5.198 1.00 1.00 H new ATOM 0 HB2 GLN A 144 11.031 -1.788 3.746 1.00 1.00 H new ATOM 0 HB3 GLN A 144 10.375 -1.953 5.362 1.00 1.00 H new ATOM 0 HG2 GLN A 144 12.836 -1.884 6.199 1.00 1.00 H new ATOM 0 HG3 GLN A 144 13.259 -1.358 4.582 1.00 1.00 H new ATOM 0 HE21 GLN A 144 13.864 0.678 4.952 1.00 1.00 H new ATOM 0 HE22 GLN A 144 12.817 1.954 5.583 1.00 1.00 H new ATOM 1028 N PRO A 145 10.721 -4.577 6.813 1.00 1.00 N ATOM 1029 CA PRO A 145 9.793 -5.298 7.667 1.00 1.00 C ATOM 1030 C PRO A 145 8.548 -4.456 7.957 1.00 1.00 C ATOM 1031 O PRO A 145 8.470 -3.297 7.550 1.00 1.00 O ATOM 1032 CB PRO A 145 10.588 -5.631 8.919 1.00 1.00 C ATOM 1033 CG PRO A 145 11.782 -4.690 8.918 1.00 1.00 C ATOM 1034 CD PRO A 145 11.884 -4.069 7.534 1.00 1.00 C ATOM 0 HA PRO A 145 9.411 -6.206 7.200 1.00 1.00 H new ATOM 0 HB2 PRO A 145 9.982 -5.492 9.815 1.00 1.00 H new ATOM 0 HB3 PRO A 145 10.911 -6.672 8.911 1.00 1.00 H new ATOM 0 HG2 PRO A 145 11.659 -3.916 9.676 1.00 1.00 H new ATOM 0 HG3 PRO A 145 12.696 -5.232 9.162 1.00 1.00 H new ATOM 0 HD2 PRO A 145 11.873 -2.980 7.587 1.00 1.00 H new ATOM 0 HD3 PRO A 145 12.812 -4.355 7.039 1.00 1.00 H new ATOM 1039 N VAL A 146 7.606 -5.070 8.656 1.00 1.00 N ATOM 1040 CA VAL A 146 6.369 -4.392 9.005 1.00 1.00 C ATOM 1041 C VAL A 146 5.821 -4.978 10.308 1.00 1.00 C ATOM 1042 O VAL A 146 6.153 -6.104 10.675 1.00 1.00 O ATOM 1043 CB VAL A 146 5.377 -4.484 7.843 1.00 1.00 C ATOM 1044 CG1 VAL A 146 5.868 -3.679 6.639 1.00 1.00 C ATOM 1045 CG2 VAL A 146 5.116 -5.942 7.460 1.00 1.00 C ATOM 0 H VAL A 146 7.674 -6.031 8.991 1.00 1.00 H new ATOM 0 HA VAL A 146 6.550 -3.331 9.177 1.00 1.00 H new ATOM 0 HB VAL A 146 4.433 -4.051 8.172 1.00 1.00 H new ATOM 0 HG11 VAL A 146 5.145 -3.761 5.827 1.00 1.00 H new ATOM 0 HG12 VAL A 146 5.979 -2.632 6.922 1.00 1.00 H new ATOM 0 HG13 VAL A 146 6.831 -4.069 6.308 1.00 1.00 H new ATOM 0 HG21 VAL A 146 4.408 -5.980 6.632 1.00 1.00 H new ATOM 0 HG22 VAL A 146 6.052 -6.412 7.159 1.00 1.00 H new ATOM 0 HG23 VAL A 146 4.702 -6.475 8.316 1.00 1.00 H new ATOM 1055 N GLU A 147 4.989 -4.187 10.971 1.00 1.00 N ATOM 1056 CA GLU A 147 4.391 -4.614 12.223 1.00 1.00 C ATOM 1057 C GLU A 147 3.002 -3.994 12.387 1.00 1.00 C ATOM 1058 O GLU A 147 2.708 -2.957 11.795 1.00 1.00 O ATOM 1059 CB GLU A 147 5.291 -4.259 13.409 1.00 1.00 C ATOM 1060 CG GLU A 147 5.587 -5.495 14.261 1.00 1.00 C ATOM 1061 CD GLU A 147 6.846 -6.213 13.768 1.00 1.00 C ATOM 1062 OE1 GLU A 147 7.423 -5.819 12.744 1.00 1.00 O ATOM 1063 OE2 GLU A 147 7.222 -7.213 14.490 1.00 1.00 O ATOM 0 H GLU A 147 4.716 -3.253 10.664 1.00 1.00 H new ATOM 0 HA GLU A 147 4.284 -5.698 12.200 1.00 1.00 H new ATOM 0 HB2 GLU A 147 6.225 -3.831 13.046 1.00 1.00 H new ATOM 0 HB3 GLU A 147 4.808 -3.498 14.022 1.00 1.00 H new ATOM 0 HG2 GLU A 147 5.716 -5.201 15.302 1.00 1.00 H new ATOM 0 HG3 GLU A 147 4.738 -6.177 14.226 1.00 1.00 H new ATOM 1069 N PHE A 148 2.185 -4.656 13.192 1.00 1.00 N ATOM 1070 CA PHE A 148 0.833 -4.183 13.441 1.00 1.00 C ATOM 1071 C PHE A 148 0.847 -2.784 14.059 1.00 1.00 C ATOM 1072 O PHE A 148 1.654 -2.500 14.942 1.00 1.00 O ATOM 1073 CB PHE A 148 0.193 -5.159 14.430 1.00 1.00 C ATOM 1074 CG PHE A 148 -1.336 -5.193 14.370 1.00 1.00 C ATOM 1075 CD1 PHE A 148 -1.963 -6.020 13.490 1.00 1.00 C ATOM 1076 CD2 PHE A 148 -2.067 -4.398 15.196 1.00 1.00 C ATOM 1077 CE1 PHE A 148 -3.381 -6.051 13.433 1.00 1.00 C ATOM 1078 CE2 PHE A 148 -3.485 -4.429 15.139 1.00 1.00 C ATOM 1079 CZ PHE A 148 -4.113 -5.256 14.260 1.00 1.00 C ATOM 0 H PHE A 148 2.433 -5.516 13.681 1.00 1.00 H new ATOM 0 HA PHE A 148 0.278 -4.131 12.504 1.00 1.00 H new ATOM 0 HB2 PHE A 148 0.576 -6.161 14.236 1.00 1.00 H new ATOM 0 HB3 PHE A 148 0.501 -4.890 15.441 1.00 1.00 H new ATOM 0 HD1 PHE A 148 -1.382 -6.653 12.835 1.00 1.00 H new ATOM 0 HD2 PHE A 148 -1.569 -3.743 15.895 1.00 1.00 H new ATOM 0 HE1 PHE A 148 -3.879 -6.706 12.733 1.00 1.00 H new ATOM 0 HE2 PHE A 148 -4.066 -3.796 15.794 1.00 1.00 H new ATOM 0 HZ PHE A 148 -5.192 -5.282 14.219 1.00 1.00 H new ATOM 1088 N ASP A 149 -0.057 -1.948 13.570 1.00 1.00 N ATOM 1089 CA ASP A 149 -0.160 -0.584 14.064 1.00 1.00 C ATOM 1090 C ASP A 149 0.867 0.292 13.343 1.00 1.00 C ATOM 1091 O ASP A 149 0.887 1.509 13.526 1.00 1.00 O ATOM 1092 CB ASP A 149 0.133 -0.519 15.564 1.00 1.00 C ATOM 1093 CG ASP A 149 1.530 -0.013 15.928 1.00 1.00 C ATOM 1094 OD1 ASP A 149 2.516 -0.303 15.235 1.00 1.00 O ATOM 1095 OD2 ASP A 149 1.585 0.719 16.990 1.00 1.00 O ATOM 0 H ASP A 149 -0.725 -2.188 12.837 1.00 1.00 H new ATOM 0 HA ASP A 149 -1.175 -0.233 13.879 1.00 1.00 H new ATOM 0 HB2 ASP A 149 -0.606 0.129 16.036 1.00 1.00 H new ATOM 0 HB3 ASP A 149 0.001 -1.514 15.988 1.00 1.00 H new ATOM 1100 N GLU A 150 1.694 -0.360 12.539 1.00 1.00 N ATOM 1101 CA GLU A 150 2.720 0.346 11.789 1.00 1.00 C ATOM 1102 C GLU A 150 2.178 0.777 10.425 1.00 1.00 C ATOM 1103 O GLU A 150 1.363 0.077 9.827 1.00 1.00 O ATOM 1104 CB GLU A 150 3.975 -0.515 11.635 1.00 1.00 C ATOM 1105 CG GLU A 150 4.360 -1.169 12.963 1.00 1.00 C ATOM 1106 CD GLU A 150 4.927 -0.135 13.939 1.00 1.00 C ATOM 1107 OE1 GLU A 150 4.913 -0.360 15.158 1.00 1.00 O ATOM 1108 OE2 GLU A 150 5.398 0.933 13.388 1.00 1.00 O ATOM 0 H GLU A 150 1.675 -1.369 12.390 1.00 1.00 H new ATOM 0 HA GLU A 150 3.000 1.241 12.345 1.00 1.00 H new ATOM 0 HB2 GLU A 150 3.801 -1.285 10.884 1.00 1.00 H new ATOM 0 HB3 GLU A 150 4.800 0.100 11.276 1.00 1.00 H new ATOM 0 HG2 GLU A 150 3.486 -1.649 13.403 1.00 1.00 H new ATOM 0 HG3 GLU A 150 5.098 -1.951 12.787 1.00 1.00 H new ATOM 1114 N PRO A 151 2.667 1.958 9.961 1.00 1.00 N ATOM 1115 CA PRO A 151 2.241 2.493 8.678 1.00 1.00 C ATOM 1116 C PRO A 151 2.894 1.729 7.524 1.00 1.00 C ATOM 1117 O PRO A 151 3.946 1.117 7.695 1.00 1.00 O ATOM 1118 CB PRO A 151 2.630 3.962 8.714 1.00 1.00 C ATOM 1119 CG PRO A 151 3.669 4.090 9.816 1.00 1.00 C ATOM 1120 CD PRO A 151 3.633 2.815 10.642 1.00 1.00 C ATOM 0 HA PRO A 151 1.169 2.384 8.511 1.00 1.00 H new ATOM 0 HB2 PRO A 151 3.036 4.282 7.755 1.00 1.00 H new ATOM 0 HB3 PRO A 151 1.764 4.591 8.919 1.00 1.00 H new ATOM 0 HG2 PRO A 151 4.661 4.241 9.390 1.00 1.00 H new ATOM 0 HG3 PRO A 151 3.456 4.956 10.442 1.00 1.00 H new ATOM 0 HD2 PRO A 151 4.616 2.345 10.688 1.00 1.00 H new ATOM 0 HD3 PRO A 151 3.328 3.017 11.669 1.00 1.00 H new ATOM 1125 N LEU A 152 2.241 1.791 6.372 1.00 1.00 N ATOM 1126 CA LEU A 152 2.744 1.113 5.189 1.00 1.00 C ATOM 1127 C LEU A 152 2.929 2.132 4.063 1.00 1.00 C ATOM 1128 O LEU A 152 4.037 2.613 3.830 1.00 1.00 O ATOM 1129 CB LEU A 152 1.835 -0.059 4.816 1.00 1.00 C ATOM 1130 CG LEU A 152 1.866 -1.260 5.762 1.00 1.00 C ATOM 1131 CD1 LEU A 152 1.093 -2.443 5.174 1.00 1.00 C ATOM 1132 CD2 LEU A 152 3.305 -1.638 6.120 1.00 1.00 C ATOM 0 H LEU A 152 1.368 2.300 6.233 1.00 1.00 H new ATOM 0 HA LEU A 152 3.723 0.676 5.387 1.00 1.00 H new ATOM 0 HB2 LEU A 152 0.810 0.306 4.759 1.00 1.00 H new ATOM 0 HB3 LEU A 152 2.108 -0.401 3.818 1.00 1.00 H new ATOM 0 HG LEU A 152 1.366 -0.977 6.688 1.00 1.00 H new ATOM 0 HD11 LEU A 152 1.131 -3.283 5.867 1.00 1.00 H new ATOM 0 HD12 LEU A 152 0.055 -2.154 5.011 1.00 1.00 H new ATOM 0 HD13 LEU A 152 1.542 -2.735 4.225 1.00 1.00 H new ATOM 0 HD21 LEU A 152 3.299 -2.495 6.794 1.00 1.00 H new ATOM 0 HD22 LEU A 152 3.851 -1.894 5.212 1.00 1.00 H new ATOM 0 HD23 LEU A 152 3.792 -0.795 6.610 1.00 1.00 H new ATOM 1143 N VAL A 153 1.825 2.433 3.394 1.00 1.00 N ATOM 1144 CA VAL A 153 1.851 3.385 2.297 1.00 1.00 C ATOM 1145 C VAL A 153 0.836 4.498 2.569 1.00 1.00 C ATOM 1146 O VAL A 153 -0.278 4.230 3.019 1.00 1.00 O ATOM 1147 CB VAL A 153 1.605 2.663 0.971 1.00 1.00 C ATOM 1148 CG1 VAL A 153 1.695 3.636 -0.208 1.00 1.00 C ATOM 1149 CG2 VAL A 153 2.578 1.496 0.793 1.00 1.00 C ATOM 0 H VAL A 153 0.907 2.034 3.591 1.00 1.00 H new ATOM 0 HA VAL A 153 2.833 3.852 2.220 1.00 1.00 H new ATOM 0 HB VAL A 153 0.594 2.256 0.994 1.00 1.00 H new ATOM 0 HG11 VAL A 153 1.516 3.097 -1.139 1.00 1.00 H new ATOM 0 HG12 VAL A 153 0.945 4.419 -0.092 1.00 1.00 H new ATOM 0 HG13 VAL A 153 2.688 4.086 -0.234 1.00 1.00 H new ATOM 0 HG21 VAL A 153 2.381 1.000 -0.157 1.00 1.00 H new ATOM 0 HG22 VAL A 153 3.601 1.871 0.802 1.00 1.00 H new ATOM 0 HG23 VAL A 153 2.445 0.784 1.608 1.00 1.00 H new ATOM 1159 N VAL A 154 1.256 5.721 2.286 1.00 1.00 N ATOM 1160 CA VAL A 154 0.398 6.875 2.495 1.00 1.00 C ATOM 1161 C VAL A 154 -0.317 7.216 1.186 1.00 1.00 C ATOM 1162 O VAL A 154 0.325 7.571 0.199 1.00 1.00 O ATOM 1163 CB VAL A 154 1.216 8.042 3.052 1.00 1.00 C ATOM 1164 CG1 VAL A 154 0.330 9.266 3.293 1.00 1.00 C ATOM 1165 CG2 VAL A 154 1.950 7.635 4.331 1.00 1.00 C ATOM 0 H VAL A 154 2.180 5.939 1.913 1.00 1.00 H new ATOM 0 HA VAL A 154 -0.369 6.652 3.236 1.00 1.00 H new ATOM 0 HB VAL A 154 1.965 8.312 2.308 1.00 1.00 H new ATOM 0 HG11 VAL A 154 0.936 10.081 3.689 1.00 1.00 H new ATOM 0 HG12 VAL A 154 -0.126 9.576 2.353 1.00 1.00 H new ATOM 0 HG13 VAL A 154 -0.452 9.014 4.009 1.00 1.00 H new ATOM 0 HG21 VAL A 154 2.524 8.482 4.706 1.00 1.00 H new ATOM 0 HG22 VAL A 154 1.225 7.326 5.084 1.00 1.00 H new ATOM 0 HG23 VAL A 154 2.625 6.807 4.115 1.00 1.00 H new ATOM 1175 N ILE A 155 -1.636 7.098 1.221 1.00 1.00 N ATOM 1176 CA ILE A 155 -2.445 7.391 0.050 1.00 1.00 C ATOM 1177 C ILE A 155 -3.192 8.709 0.266 1.00 1.00 C ATOM 1178 O ILE A 155 -3.299 9.186 1.395 1.00 1.00 O ATOM 1179 CB ILE A 155 -3.361 6.210 -0.276 1.00 1.00 C ATOM 1180 CG1 ILE A 155 -2.576 5.066 -0.920 1.00 1.00 C ATOM 1181 CG2 ILE A 155 -4.541 6.655 -1.144 1.00 1.00 C ATOM 1182 CD1 ILE A 155 -1.826 5.548 -2.164 1.00 1.00 C ATOM 0 H ILE A 155 -2.165 6.803 2.042 1.00 1.00 H new ATOM 0 HA ILE A 155 -1.812 7.525 -0.827 1.00 1.00 H new ATOM 0 HB ILE A 155 -3.773 5.830 0.659 1.00 1.00 H new ATOM 0 HG12 ILE A 155 -1.868 4.656 -0.200 1.00 1.00 H new ATOM 0 HG13 ILE A 155 -3.258 4.260 -1.191 1.00 1.00 H new ATOM 0 HG21 ILE A 155 -5.177 5.797 -1.361 1.00 1.00 H new ATOM 0 HG22 ILE A 155 -5.120 7.410 -0.612 1.00 1.00 H new ATOM 0 HG23 ILE A 155 -4.168 7.076 -2.078 1.00 1.00 H new ATOM 0 HD11 ILE A 155 -1.276 4.715 -2.603 1.00 1.00 H new ATOM 0 HD12 ILE A 155 -2.539 5.935 -2.892 1.00 1.00 H new ATOM 0 HD13 ILE A 155 -1.128 6.337 -1.885 1.00 1.00 H new ATOM 1193 N GLU A 156 -3.689 9.257 -0.832 1.00 1.00 N ATOM 1194 CA GLU A 156 -4.424 10.510 -0.775 1.00 1.00 C ATOM 1195 C GLU A 156 -5.928 10.241 -0.709 1.00 1.00 C ATOM 1196 O GLU A 156 -6.728 11.049 -1.180 1.00 1.00 O ATOM 1197 CB GLU A 156 -4.078 11.402 -1.970 1.00 1.00 C ATOM 1198 CG GLU A 156 -4.579 12.831 -1.750 1.00 1.00 C ATOM 1199 CD GLU A 156 -5.093 13.438 -3.057 1.00 1.00 C ATOM 1200 OE1 GLU A 156 -4.299 13.960 -3.853 1.00 1.00 O ATOM 1201 OE2 GLU A 156 -6.368 13.354 -3.232 1.00 1.00 O ATOM 0 H GLU A 156 -3.598 8.857 -1.766 1.00 1.00 H new ATOM 0 HA GLU A 156 -4.130 11.041 0.131 1.00 1.00 H new ATOM 0 HB2 GLU A 156 -2.999 11.410 -2.122 1.00 1.00 H new ATOM 0 HB3 GLU A 156 -4.524 10.992 -2.876 1.00 1.00 H new ATOM 0 HG2 GLU A 156 -5.376 12.830 -1.007 1.00 1.00 H new ATOM 0 HG3 GLU A 156 -3.772 13.446 -1.352 1.00 1.00 H new