USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=11 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 Single : A 81 HIS : no HD1:sc= -14.6! C(o=-15!,f=-16!) USER MOD Single : A 85 SER OG : rot -78:sc= -4.18! USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 179:sc=0.000286 USER MOD Single : A 94 THR OG1 : rot 116:sc= 0.115 USER MOD Single : A 96 SER OG : rot 180:sc= -1.14 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -0.494 X(o=-0.49,f=-0.033) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 CYS SG : rot 160:sc= -0.913! USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) 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 :FLIP amide:sc= -0.909 F(o=-1.6!,f=-0.91) USER MOD Single : A 126 GLN : amide:sc= 0 X(o=0,f=0) 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 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 SER OG : rot 180:sc= 0.0798 USER MOD Single : A 144 GLN : amide:sc= -1.13 X(o=-1.1,f=-0.71) USER MOD ----------------------------------------------------------------- ATOM 130 N HIS A 81 -5.600 8.153 2.742 1.00 1.00 N ATOM 131 CA HIS A 81 -5.652 7.045 3.683 1.00 1.00 C ATOM 132 C HIS A 81 -4.232 6.581 4.008 1.00 1.00 C ATOM 133 O HIS A 81 -3.272 7.018 3.374 1.00 1.00 O ATOM 134 CB HIS A 81 -6.538 5.919 3.147 1.00 1.00 C ATOM 135 CG HIS A 81 -5.847 5.016 2.153 1.00 1.00 C ATOM 136 ND1 HIS A 81 -4.690 4.316 2.452 1.00 1.00 N ATOM 137 CD2 HIS A 81 -6.163 4.705 0.863 1.00 1.00 C ATOM 138 CE1 HIS A 81 -4.335 3.621 1.382 1.00 1.00 C ATOM 139 NE2 HIS A 81 -5.248 3.863 0.398 1.00 1.00 N ATOM 0 HA HIS A 81 -6.110 7.375 4.615 1.00 1.00 H new ATOM 0 HB2 HIS A 81 -6.891 5.318 3.985 1.00 1.00 H new ATOM 0 HB3 HIS A 81 -7.418 6.356 2.675 1.00 1.00 H new ATOM 0 HD2 HIS A 81 -7.013 5.080 0.313 1.00 1.00 H new ATOM 0 HE1 HIS A 81 -3.473 2.975 1.302 1.00 1.00 H new ATOM 0 HE2 HIS A 81 -5.231 3.463 -0.540 1.00 1.00 H new ATOM 146 N ILE A 82 -4.142 5.701 4.994 1.00 1.00 N ATOM 147 CA ILE A 82 -2.855 5.172 5.411 1.00 1.00 C ATOM 148 C ILE A 82 -2.980 3.667 5.653 1.00 1.00 C ATOM 149 O ILE A 82 -3.734 3.235 6.523 1.00 1.00 O ATOM 150 CB ILE A 82 -2.322 5.947 6.619 1.00 1.00 C ATOM 151 CG1 ILE A 82 -1.888 7.358 6.218 1.00 1.00 C ATOM 152 CG2 ILE A 82 -1.197 5.176 7.312 1.00 1.00 C ATOM 153 CD1 ILE A 82 -2.630 8.413 7.041 1.00 1.00 C ATOM 0 H ILE A 82 -4.940 5.341 5.517 1.00 1.00 H new ATOM 0 HA ILE A 82 -2.115 5.308 4.622 1.00 1.00 H new ATOM 0 HB ILE A 82 -3.132 6.053 7.341 1.00 1.00 H new ATOM 0 HG12 ILE A 82 -0.813 7.467 6.364 1.00 1.00 H new ATOM 0 HG13 ILE A 82 -2.083 7.515 5.157 1.00 1.00 H new ATOM 0 HG21 ILE A 82 -0.836 5.748 8.167 1.00 1.00 H new ATOM 0 HG22 ILE A 82 -1.574 4.212 7.654 1.00 1.00 H new ATOM 0 HG23 ILE A 82 -0.378 5.017 6.610 1.00 1.00 H new ATOM 0 HD11 ILE A 82 -2.304 9.408 6.737 1.00 1.00 H new ATOM 0 HD12 ILE A 82 -3.703 8.316 6.874 1.00 1.00 H new ATOM 0 HD13 ILE A 82 -2.413 8.268 8.099 1.00 1.00 H new ATOM 164 N VAL A 83 -2.231 2.908 4.866 1.00 1.00 N ATOM 165 CA VAL A 83 -2.249 1.460 4.984 1.00 1.00 C ATOM 166 C VAL A 83 -1.397 1.039 6.181 1.00 1.00 C ATOM 167 O VAL A 83 -0.205 1.341 6.236 1.00 1.00 O ATOM 168 CB VAL A 83 -1.792 0.823 3.670 1.00 1.00 C ATOM 169 CG1 VAL A 83 -1.463 -0.658 3.865 1.00 1.00 C ATOM 170 CG2 VAL A 83 -2.843 1.012 2.574 1.00 1.00 C ATOM 0 H VAL A 83 -1.608 3.269 4.144 1.00 1.00 H new ATOM 0 HA VAL A 83 -3.263 1.104 5.167 1.00 1.00 H new ATOM 0 HB VAL A 83 -0.881 1.330 3.351 1.00 1.00 H new ATOM 0 HG11 VAL A 83 -1.141 -1.087 2.916 1.00 1.00 H new ATOM 0 HG12 VAL A 83 -0.664 -0.760 4.599 1.00 1.00 H new ATOM 0 HG13 VAL A 83 -2.350 -1.184 4.219 1.00 1.00 H new ATOM 0 HG21 VAL A 83 -2.493 0.550 1.651 1.00 1.00 H new ATOM 0 HG22 VAL A 83 -3.778 0.544 2.882 1.00 1.00 H new ATOM 0 HG23 VAL A 83 -3.007 2.077 2.407 1.00 1.00 H new ATOM 180 N ARG A 84 -2.039 0.348 7.112 1.00 1.00 N ATOM 181 CA ARG A 84 -1.354 -0.118 8.305 1.00 1.00 C ATOM 182 C ARG A 84 -1.180 -1.636 8.259 1.00 1.00 C ATOM 183 O ARG A 84 -2.161 -2.375 8.186 1.00 1.00 O ATOM 184 CB ARG A 84 -2.128 0.262 9.569 1.00 1.00 C ATOM 185 CG ARG A 84 -2.161 1.780 9.757 1.00 1.00 C ATOM 186 CD ARG A 84 -2.402 2.146 11.222 1.00 1.00 C ATOM 187 NE ARG A 84 -1.211 2.828 11.777 1.00 1.00 N ATOM 188 CZ ARG A 84 -1.173 3.414 12.993 1.00 1.00 C ATOM 189 NH1 ARG A 84 -2.261 3.407 13.791 1.00 1.00 N ATOM 190 NH2 ARG A 84 -0.056 3.995 13.388 1.00 1.00 N ATOM 0 H ARG A 84 -3.027 0.100 7.064 1.00 1.00 H new ATOM 0 HA ARG A 84 -0.376 0.362 8.334 1.00 1.00 H new ATOM 0 HB2 ARG A 84 -3.146 -0.122 9.505 1.00 1.00 H new ATOM 0 HB3 ARG A 84 -1.664 -0.206 10.438 1.00 1.00 H new ATOM 0 HG2 ARG A 84 -1.218 2.212 9.421 1.00 1.00 H new ATOM 0 HG3 ARG A 84 -2.948 2.210 9.137 1.00 1.00 H new ATOM 0 HD2 ARG A 84 -3.274 2.795 11.304 1.00 1.00 H new ATOM 0 HD3 ARG A 84 -2.618 1.247 11.799 1.00 1.00 H new ATOM 0 HE ARG A 84 -0.367 2.857 11.205 1.00 1.00 H new ATOM 0 HH11 ARG A 84 -3.121 2.957 13.477 1.00 1.00 H new ATOM 0 HH12 ARG A 84 -2.224 3.852 14.708 1.00 1.00 H new ATOM 0 HH21 ARG A 84 0.761 3.997 12.778 1.00 1.00 H new ATOM 0 HH22 ARG A 84 -0.010 4.442 14.303 1.00 1.00 H new ATOM 199 N SER A 85 0.075 -2.059 8.304 1.00 1.00 N ATOM 200 CA SER A 85 0.390 -3.476 8.268 1.00 1.00 C ATOM 201 C SER A 85 -0.523 -4.240 9.230 1.00 1.00 C ATOM 202 O SER A 85 -0.326 -4.199 10.443 1.00 1.00 O ATOM 203 CB SER A 85 1.858 -3.724 8.621 1.00 1.00 C ATOM 204 OG SER A 85 2.527 -4.482 7.617 1.00 1.00 O ATOM 0 H SER A 85 0.886 -1.444 8.365 1.00 1.00 H new ATOM 0 HA SER A 85 0.222 -3.837 7.253 1.00 1.00 H new ATOM 0 HB2 SER A 85 2.366 -2.769 8.753 1.00 1.00 H new ATOM 0 HB3 SER A 85 1.918 -4.251 9.573 1.00 1.00 H new ATOM 0 HG SER A 85 2.289 -5.428 7.708 1.00 1.00 H new ATOM 209 N PRO A 86 -1.529 -4.937 8.635 1.00 1.00 N ATOM 210 CA PRO A 86 -2.473 -5.708 9.426 1.00 1.00 C ATOM 211 C PRO A 86 -1.833 -7.000 9.937 1.00 1.00 C ATOM 212 O PRO A 86 -2.483 -7.791 10.619 1.00 1.00 O ATOM 213 CB PRO A 86 -3.652 -5.956 8.499 1.00 1.00 C ATOM 214 CG PRO A 86 -3.132 -5.719 7.091 1.00 1.00 C ATOM 215 CD PRO A 86 -1.793 -5.009 7.201 1.00 1.00 C ATOM 0 HA PRO A 86 -2.794 -5.184 10.326 1.00 1.00 H new ATOM 0 HB2 PRO A 86 -4.029 -6.973 8.610 1.00 1.00 H new ATOM 0 HB3 PRO A 86 -4.478 -5.283 8.729 1.00 1.00 H new ATOM 0 HG2 PRO A 86 -3.020 -6.665 6.561 1.00 1.00 H new ATOM 0 HG3 PRO A 86 -3.838 -5.116 6.520 1.00 1.00 H new ATOM 0 HD2 PRO A 86 -1.009 -5.559 6.681 1.00 1.00 H new ATOM 0 HD3 PRO A 86 -1.834 -4.015 6.755 1.00 1.00 H new ATOM 220 N MET A 87 -0.566 -7.173 9.590 1.00 1.00 N ATOM 221 CA MET A 87 0.168 -8.356 10.005 1.00 1.00 C ATOM 222 C MET A 87 1.673 -8.080 10.048 1.00 1.00 C ATOM 223 O MET A 87 2.201 -7.368 9.194 1.00 1.00 O ATOM 224 CB MET A 87 -0.113 -9.501 9.029 1.00 1.00 C ATOM 225 CG MET A 87 -1.336 -10.308 9.469 1.00 1.00 C ATOM 226 SD MET A 87 -1.597 -11.677 8.353 1.00 1.00 S ATOM 227 CE MET A 87 -0.981 -13.018 9.359 1.00 1.00 C ATOM 0 H MET A 87 -0.029 -6.514 9.026 1.00 1.00 H new ATOM 0 HA MET A 87 -0.161 -8.632 11.007 1.00 1.00 H new ATOM 0 HB2 MET A 87 -0.278 -9.099 8.029 1.00 1.00 H new ATOM 0 HB3 MET A 87 0.757 -10.155 8.970 1.00 1.00 H new ATOM 0 HG2 MET A 87 -1.192 -10.678 10.484 1.00 1.00 H new ATOM 0 HG3 MET A 87 -2.218 -9.668 9.485 1.00 1.00 H new ATOM 0 HE1 MET A 87 -1.070 -13.955 8.810 1.00 1.00 H new ATOM 0 HE2 MET A 87 0.066 -12.839 9.603 1.00 1.00 H new ATOM 0 HE3 MET A 87 -1.562 -13.079 10.279 1.00 1.00 H new ATOM 235 N VAL A 88 2.320 -8.657 11.049 1.00 1.00 N ATOM 236 CA VAL A 88 3.753 -8.482 11.215 1.00 1.00 C ATOM 237 C VAL A 88 4.490 -9.400 10.239 1.00 1.00 C ATOM 238 O VAL A 88 4.097 -10.549 10.044 1.00 1.00 O ATOM 239 CB VAL A 88 4.144 -8.722 12.674 1.00 1.00 C ATOM 240 CG1 VAL A 88 5.572 -8.243 12.944 1.00 1.00 C ATOM 241 CG2 VAL A 88 3.151 -8.052 13.626 1.00 1.00 C ATOM 0 H VAL A 88 1.878 -9.247 11.754 1.00 1.00 H new ATOM 0 HA VAL A 88 4.043 -7.458 10.980 1.00 1.00 H new ATOM 0 HB VAL A 88 4.110 -9.796 12.858 1.00 1.00 H new ATOM 0 HG11 VAL A 88 5.825 -8.425 13.988 1.00 1.00 H new ATOM 0 HG12 VAL A 88 6.266 -8.786 12.302 1.00 1.00 H new ATOM 0 HG13 VAL A 88 5.644 -7.176 12.734 1.00 1.00 H new ATOM 0 HG21 VAL A 88 3.453 -8.238 14.657 1.00 1.00 H new ATOM 0 HG22 VAL A 88 3.137 -6.978 13.441 1.00 1.00 H new ATOM 0 HG23 VAL A 88 2.155 -8.462 13.460 1.00 1.00 H new ATOM 251 N GLY A 89 5.547 -8.859 9.651 1.00 1.00 N ATOM 252 CA GLY A 89 6.344 -9.615 8.700 1.00 1.00 C ATOM 253 C GLY A 89 7.171 -8.682 7.813 1.00 1.00 C ATOM 254 O GLY A 89 7.959 -7.881 8.313 1.00 1.00 O ATOM 0 H GLY A 89 5.870 -7.906 9.815 1.00 1.00 H new ATOM 0 HA2 GLY A 89 7.006 -10.295 9.235 1.00 1.00 H new ATOM 0 HA3 GLY A 89 5.691 -10.228 8.079 1.00 1.00 H new ATOM 258 N THR A 90 6.964 -8.818 6.511 1.00 1.00 N ATOM 259 CA THR A 90 7.680 -7.997 5.550 1.00 1.00 C ATOM 260 C THR A 90 6.699 -7.308 4.600 1.00 1.00 C ATOM 261 O THR A 90 5.517 -7.646 4.570 1.00 1.00 O ATOM 262 CB THR A 90 8.696 -8.888 4.832 1.00 1.00 C ATOM 263 OG1 THR A 90 9.534 -9.372 5.878 1.00 1.00 O ATOM 264 CG2 THR A 90 9.645 -8.090 3.935 1.00 1.00 C ATOM 0 H THR A 90 6.311 -9.485 6.100 1.00 1.00 H new ATOM 0 HA THR A 90 8.223 -7.192 6.045 1.00 1.00 H new ATOM 0 HB THR A 90 8.168 -9.630 4.233 1.00 1.00 H new ATOM 0 HG1 THR A 90 10.221 -9.960 5.501 1.00 1.00 H new ATOM 0 HG21 THR A 90 10.345 -8.770 3.450 1.00 1.00 H new ATOM 0 HG22 THR A 90 9.069 -7.560 3.176 1.00 1.00 H new ATOM 0 HG23 THR A 90 10.198 -7.371 4.539 1.00 1.00 H new ATOM 272 N PHE A 91 7.225 -6.354 3.846 1.00 1.00 N ATOM 273 CA PHE A 91 6.410 -5.615 2.898 1.00 1.00 C ATOM 274 C PHE A 91 7.174 -5.364 1.596 1.00 1.00 C ATOM 275 O PHE A 91 8.307 -4.888 1.618 1.00 1.00 O ATOM 276 CB PHE A 91 6.079 -4.269 3.547 1.00 1.00 C ATOM 277 CG PHE A 91 5.418 -3.266 2.598 1.00 1.00 C ATOM 278 CD1 PHE A 91 6.141 -2.707 1.590 1.00 1.00 C ATOM 279 CD2 PHE A 91 4.110 -2.935 2.762 1.00 1.00 C ATOM 280 CE1 PHE A 91 5.528 -1.776 0.710 1.00 1.00 C ATOM 281 CE2 PHE A 91 3.498 -2.004 1.881 1.00 1.00 C ATOM 282 CZ PHE A 91 4.219 -1.445 0.874 1.00 1.00 C ATOM 0 H PHE A 91 8.206 -6.076 3.873 1.00 1.00 H new ATOM 0 HA PHE A 91 5.512 -6.184 2.658 1.00 1.00 H new ATOM 0 HB2 PHE A 91 5.418 -4.440 4.397 1.00 1.00 H new ATOM 0 HB3 PHE A 91 6.997 -3.831 3.940 1.00 1.00 H new ATOM 0 HD1 PHE A 91 7.180 -2.971 1.459 1.00 1.00 H new ATOM 0 HD2 PHE A 91 3.536 -3.380 3.562 1.00 1.00 H new ATOM 0 HE1 PHE A 91 6.101 -1.331 -0.090 1.00 1.00 H new ATOM 0 HE2 PHE A 91 2.459 -1.740 2.012 1.00 1.00 H new ATOM 0 HZ PHE A 91 3.753 -0.738 0.204 1.00 1.00 H new ATOM 291 N TYR A 92 6.523 -5.699 0.492 1.00 1.00 N ATOM 292 CA TYR A 92 7.126 -5.517 -0.818 1.00 1.00 C ATOM 293 C TYR A 92 6.248 -4.635 -1.709 1.00 1.00 C ATOM 294 O TYR A 92 5.071 -4.428 -1.416 1.00 1.00 O ATOM 295 CB TYR A 92 7.220 -6.913 -1.436 1.00 1.00 C ATOM 296 CG TYR A 92 8.232 -7.832 -0.748 1.00 1.00 C ATOM 297 CD1 TYR A 92 9.584 -7.641 -0.949 1.00 1.00 C ATOM 298 CD2 TYR A 92 7.793 -8.850 0.073 1.00 1.00 C ATOM 299 CE1 TYR A 92 10.536 -8.506 -0.302 1.00 1.00 C ATOM 300 CE2 TYR A 92 8.745 -9.715 0.721 1.00 1.00 C ATOM 301 CZ TYR A 92 10.070 -9.499 0.501 1.00 1.00 C ATOM 302 OH TYR A 92 10.970 -10.316 1.113 1.00 1.00 O ATOM 0 H TYR A 92 5.583 -6.096 0.477 1.00 1.00 H new ATOM 0 HA TYR A 92 8.098 -5.033 -0.729 1.00 1.00 H new ATOM 0 HB2 TYR A 92 6.237 -7.382 -1.401 1.00 1.00 H new ATOM 0 HB3 TYR A 92 7.489 -6.816 -2.488 1.00 1.00 H new ATOM 0 HD1 TYR A 92 9.928 -6.843 -1.591 1.00 1.00 H new ATOM 0 HD2 TYR A 92 6.735 -8.998 0.230 1.00 1.00 H new ATOM 0 HE1 TYR A 92 11.597 -8.369 -0.451 1.00 1.00 H new ATOM 0 HE2 TYR A 92 8.415 -10.516 1.366 1.00 1.00 H new ATOM 0 HH TYR A 92 10.495 -10.968 1.669 1.00 1.00 H new ATOM 311 N ARG A 93 6.855 -4.141 -2.778 1.00 1.00 N ATOM 312 CA ARG A 93 6.142 -3.287 -3.714 1.00 1.00 C ATOM 313 C ARG A 93 5.957 -4.004 -5.053 1.00 1.00 C ATOM 314 O ARG A 93 5.169 -3.568 -5.890 1.00 1.00 O ATOM 315 CB ARG A 93 6.896 -1.976 -3.946 1.00 1.00 C ATOM 316 CG ARG A 93 7.286 -1.326 -2.617 1.00 1.00 C ATOM 317 CD ARG A 93 6.724 0.094 -2.514 1.00 1.00 C ATOM 318 NE ARG A 93 7.104 0.876 -3.713 1.00 1.00 N ATOM 319 CZ ARG A 93 7.227 2.219 -3.732 1.00 1.00 C ATOM 320 NH1 ARG A 93 7.001 2.945 -2.615 1.00 1.00 N ATOM 321 NH2 ARG A 93 7.572 2.815 -4.858 1.00 1.00 N ATOM 0 H ARG A 93 7.831 -4.315 -3.017 1.00 1.00 H new ATOM 0 HA ARG A 93 5.167 -3.062 -3.281 1.00 1.00 H new ATOM 0 HB2 ARG A 93 7.791 -2.167 -4.538 1.00 1.00 H new ATOM 0 HB3 ARG A 93 6.273 -1.291 -4.521 1.00 1.00 H new ATOM 0 HG2 ARG A 93 6.912 -1.929 -1.790 1.00 1.00 H new ATOM 0 HG3 ARG A 93 8.372 -1.298 -2.527 1.00 1.00 H new ATOM 0 HD2 ARG A 93 5.639 0.059 -2.421 1.00 1.00 H new ATOM 0 HD3 ARG A 93 7.105 0.581 -1.616 1.00 1.00 H new ATOM 0 HE ARG A 93 7.284 0.367 -4.578 1.00 1.00 H new ATOM 0 HH11 ARG A 93 6.735 2.478 -1.748 1.00 1.00 H new ATOM 0 HH12 ARG A 93 7.096 3.960 -2.639 1.00 1.00 H new ATOM 0 HH21 ARG A 93 7.741 2.261 -5.697 1.00 1.00 H new ATOM 0 HH22 ARG A 93 7.669 3.830 -4.889 1.00 1.00 H new ATOM 330 N THR A 94 6.697 -5.093 -5.211 1.00 1.00 N ATOM 331 CA THR A 94 6.624 -5.875 -6.433 1.00 1.00 C ATOM 332 C THR A 94 6.595 -7.370 -6.110 1.00 1.00 C ATOM 333 O THR A 94 7.069 -7.789 -5.055 1.00 1.00 O ATOM 334 CB THR A 94 7.798 -5.469 -7.325 1.00 1.00 C ATOM 335 OG1 THR A 94 8.933 -5.563 -6.469 1.00 1.00 O ATOM 336 CG2 THR A 94 7.751 -3.991 -7.720 1.00 1.00 C ATOM 0 H THR A 94 7.349 -5.451 -4.513 1.00 1.00 H new ATOM 0 HA THR A 94 5.700 -5.674 -6.975 1.00 1.00 H new ATOM 0 HB THR A 94 7.800 -6.085 -8.224 1.00 1.00 H new ATOM 0 HG1 THR A 94 9.539 -6.257 -6.804 1.00 1.00 H new ATOM 0 HG21 THR A 94 8.607 -3.756 -8.353 1.00 1.00 H new ATOM 0 HG22 THR A 94 6.830 -3.790 -8.266 1.00 1.00 H new ATOM 0 HG23 THR A 94 7.783 -3.373 -6.822 1.00 1.00 H new ATOM 344 N PRO A 95 6.019 -8.153 -7.061 1.00 1.00 N ATOM 345 CA PRO A 95 5.923 -9.593 -6.886 1.00 1.00 C ATOM 346 C PRO A 95 7.281 -10.263 -7.106 1.00 1.00 C ATOM 347 O PRO A 95 7.548 -11.329 -6.552 1.00 1.00 O ATOM 348 CB PRO A 95 4.871 -10.040 -7.887 1.00 1.00 C ATOM 349 CG PRO A 95 4.753 -8.913 -8.901 1.00 1.00 C ATOM 350 CD PRO A 95 5.448 -7.691 -8.321 1.00 1.00 C ATOM 0 HA PRO A 95 5.636 -9.877 -5.873 1.00 1.00 H new ATOM 0 HB2 PRO A 95 5.164 -10.972 -8.371 1.00 1.00 H new ATOM 0 HB3 PRO A 95 3.916 -10.223 -7.394 1.00 1.00 H new ATOM 0 HG2 PRO A 95 5.212 -9.201 -9.847 1.00 1.00 H new ATOM 0 HG3 PRO A 95 3.706 -8.694 -9.109 1.00 1.00 H new ATOM 0 HD2 PRO A 95 6.221 -7.319 -8.993 1.00 1.00 H new ATOM 0 HD3 PRO A 95 4.744 -6.874 -8.161 1.00 1.00 H new ATOM 355 N SER A 96 8.103 -9.612 -7.916 1.00 1.00 N ATOM 356 CA SER A 96 9.426 -10.132 -8.215 1.00 1.00 C ATOM 357 C SER A 96 10.415 -8.978 -8.392 1.00 1.00 C ATOM 358 O SER A 96 10.035 -7.812 -8.300 1.00 1.00 O ATOM 359 CB SER A 96 9.403 -11.008 -9.471 1.00 1.00 C ATOM 360 OG SER A 96 9.927 -12.309 -9.222 1.00 1.00 O ATOM 0 H SER A 96 7.878 -8.729 -8.374 1.00 1.00 H new ATOM 0 HA SER A 96 9.747 -10.752 -7.378 1.00 1.00 H new ATOM 0 HB2 SER A 96 8.379 -11.093 -9.836 1.00 1.00 H new ATOM 0 HB3 SER A 96 9.983 -10.528 -10.259 1.00 1.00 H new ATOM 0 HG SER A 96 9.894 -12.838 -10.046 1.00 1.00 H new ATOM 365 N PRO A 97 11.696 -9.353 -8.649 1.00 1.00 N ATOM 366 CA PRO A 97 12.742 -8.363 -8.839 1.00 1.00 C ATOM 367 C PRO A 97 12.625 -7.698 -10.212 1.00 1.00 C ATOM 368 O PRO A 97 12.826 -6.492 -10.341 1.00 1.00 O ATOM 369 CB PRO A 97 14.044 -9.125 -8.658 1.00 1.00 C ATOM 370 CG PRO A 97 13.695 -10.594 -8.834 1.00 1.00 C ATOM 371 CD PRO A 97 12.182 -10.725 -8.764 1.00 1.00 C ATOM 0 HA PRO A 97 12.676 -7.540 -8.127 1.00 1.00 H new ATOM 0 HB2 PRO A 97 14.786 -8.809 -9.391 1.00 1.00 H new ATOM 0 HB3 PRO A 97 14.471 -8.940 -7.672 1.00 1.00 H new ATOM 0 HG2 PRO A 97 14.066 -10.963 -9.790 1.00 1.00 H new ATOM 0 HG3 PRO A 97 14.167 -11.194 -8.056 1.00 1.00 H new ATOM 0 HD2 PRO A 97 11.785 -11.212 -9.655 1.00 1.00 H new ATOM 0 HD3 PRO A 97 11.876 -11.327 -7.908 1.00 1.00 H new ATOM 376 N ASP A 98 12.299 -8.515 -11.204 1.00 1.00 N ATOM 377 CA ASP A 98 12.153 -8.022 -12.562 1.00 1.00 C ATOM 378 C ASP A 98 10.669 -7.986 -12.930 1.00 1.00 C ATOM 379 O ASP A 98 10.289 -8.376 -14.033 1.00 1.00 O ATOM 380 CB ASP A 98 12.865 -8.937 -13.560 1.00 1.00 C ATOM 381 CG ASP A 98 12.959 -8.390 -14.986 1.00 1.00 C ATOM 382 OD1 ASP A 98 12.122 -8.701 -15.846 1.00 1.00 O ATOM 383 OD2 ASP A 98 13.958 -7.603 -15.204 1.00 1.00 O ATOM 0 H ASP A 98 12.132 -9.515 -11.093 1.00 1.00 H new ATOM 0 HA ASP A 98 12.594 -7.026 -12.608 1.00 1.00 H new ATOM 0 HB2 ASP A 98 13.873 -9.133 -13.195 1.00 1.00 H new ATOM 0 HB3 ASP A 98 12.344 -9.894 -13.588 1.00 1.00 H new ATOM 388 N ALA A 99 9.869 -7.513 -11.984 1.00 1.00 N ATOM 389 CA ALA A 99 8.435 -7.422 -12.196 1.00 1.00 C ATOM 390 C ALA A 99 7.985 -5.974 -11.987 1.00 1.00 C ATOM 391 O ALA A 99 8.649 -5.208 -11.290 1.00 1.00 O ATOM 392 CB ALA A 99 7.717 -8.395 -11.258 1.00 1.00 C ATOM 0 H ALA A 99 10.187 -7.189 -11.070 1.00 1.00 H new ATOM 0 HA ALA A 99 8.179 -7.704 -13.217 1.00 1.00 H new ATOM 0 HB1 ALA A 99 6.641 -8.327 -11.417 1.00 1.00 H new ATOM 0 HB2 ALA A 99 8.050 -9.412 -11.464 1.00 1.00 H new ATOM 0 HB3 ALA A 99 7.948 -8.140 -10.224 1.00 1.00 H new ATOM 398 N LYS A 100 6.860 -5.643 -12.604 1.00 1.00 N ATOM 399 CA LYS A 100 6.314 -4.301 -12.495 1.00 1.00 C ATOM 400 C LYS A 100 6.000 -4.000 -11.028 1.00 1.00 C ATOM 401 O LYS A 100 6.043 -4.894 -10.184 1.00 1.00 O ATOM 402 CB LYS A 100 5.113 -4.134 -13.428 1.00 1.00 C ATOM 403 CG LYS A 100 5.351 -4.845 -14.761 1.00 1.00 C ATOM 404 CD LYS A 100 4.489 -4.237 -15.869 1.00 1.00 C ATOM 405 CE LYS A 100 5.036 -2.876 -16.305 1.00 1.00 C ATOM 406 NZ LYS A 100 3.997 -2.104 -17.022 1.00 1.00 N ATOM 0 H LYS A 100 6.312 -6.281 -13.181 1.00 1.00 H new ATOM 0 HA LYS A 100 7.047 -3.564 -12.822 1.00 1.00 H new ATOM 0 HB2 LYS A 100 4.219 -4.537 -12.952 1.00 1.00 H new ATOM 0 HB3 LYS A 100 4.930 -3.074 -13.605 1.00 1.00 H new ATOM 0 HG2 LYS A 100 6.404 -4.772 -15.033 1.00 1.00 H new ATOM 0 HG3 LYS A 100 5.121 -5.906 -14.658 1.00 1.00 H new ATOM 0 HD2 LYS A 100 4.460 -4.912 -16.724 1.00 1.00 H new ATOM 0 HD3 LYS A 100 3.464 -4.125 -15.517 1.00 1.00 H new ATOM 0 HE2 LYS A 100 5.375 -2.317 -15.432 1.00 1.00 H new ATOM 0 HE3 LYS A 100 5.903 -3.016 -16.950 1.00 1.00 H new ATOM 0 HZ1 LYS A 100 4.386 -1.183 -17.310 1.00 1.00 H new ATOM 0 HZ2 LYS A 100 3.693 -2.631 -17.865 1.00 1.00 H new ATOM 0 HZ3 LYS A 100 3.181 -1.954 -16.395 1.00 1.00 H new ATOM 415 N ALA A 101 5.691 -2.738 -10.769 1.00 1.00 N ATOM 416 CA ALA A 101 5.370 -2.308 -9.418 1.00 1.00 C ATOM 417 C ALA A 101 3.850 -2.252 -9.254 1.00 1.00 C ATOM 418 O ALA A 101 3.149 -1.709 -10.107 1.00 1.00 O ATOM 419 CB ALA A 101 6.037 -0.960 -9.139 1.00 1.00 C ATOM 0 H ALA A 101 5.656 -1.999 -11.471 1.00 1.00 H new ATOM 0 HA ALA A 101 5.755 -3.019 -8.687 1.00 1.00 H new ATOM 0 HB1 ALA A 101 5.796 -0.638 -8.126 1.00 1.00 H new ATOM 0 HB2 ALA A 101 7.118 -1.061 -9.241 1.00 1.00 H new ATOM 0 HB3 ALA A 101 5.673 -0.220 -9.851 1.00 1.00 H new ATOM 425 N PHE A 102 3.385 -2.819 -8.150 1.00 1.00 N ATOM 426 CA PHE A 102 1.961 -2.840 -7.863 1.00 1.00 C ATOM 427 C PHE A 102 1.400 -1.420 -7.766 1.00 1.00 C ATOM 428 O PHE A 102 0.279 -1.160 -8.201 1.00 1.00 O ATOM 429 CB PHE A 102 1.787 -3.537 -6.513 1.00 1.00 C ATOM 430 CG PHE A 102 1.795 -5.065 -6.596 1.00 1.00 C ATOM 431 CD1 PHE A 102 0.710 -5.725 -7.085 1.00 1.00 C ATOM 432 CD2 PHE A 102 2.885 -5.763 -6.179 1.00 1.00 C ATOM 433 CE1 PHE A 102 0.718 -7.142 -7.162 1.00 1.00 C ATOM 434 CE2 PHE A 102 2.892 -7.181 -6.257 1.00 1.00 C ATOM 435 CZ PHE A 102 1.808 -7.841 -6.746 1.00 1.00 C ATOM 0 H PHE A 102 3.969 -3.267 -7.444 1.00 1.00 H new ATOM 0 HA PHE A 102 1.429 -3.359 -8.660 1.00 1.00 H new ATOM 0 HB2 PHE A 102 2.585 -3.216 -5.844 1.00 1.00 H new ATOM 0 HB3 PHE A 102 0.847 -3.212 -6.067 1.00 1.00 H new ATOM 0 HD1 PHE A 102 -0.157 -5.171 -7.414 1.00 1.00 H new ATOM 0 HD2 PHE A 102 3.745 -5.239 -5.789 1.00 1.00 H new ATOM 0 HE1 PHE A 102 -0.142 -7.666 -7.551 1.00 1.00 H new ATOM 0 HE2 PHE A 102 3.758 -7.735 -5.928 1.00 1.00 H new ATOM 0 HZ PHE A 102 1.813 -8.919 -6.804 1.00 1.00 H new ATOM 444 N ILE A 103 2.206 -0.538 -7.194 1.00 1.00 N ATOM 445 CA ILE A 103 1.804 0.850 -7.034 1.00 1.00 C ATOM 446 C ILE A 103 2.969 1.761 -7.422 1.00 1.00 C ATOM 447 O ILE A 103 3.838 2.049 -6.600 1.00 1.00 O ATOM 448 CB ILE A 103 1.275 1.096 -5.620 1.00 1.00 C ATOM 449 CG1 ILE A 103 0.399 2.349 -5.572 1.00 1.00 C ATOM 450 CG2 ILE A 103 2.422 1.158 -4.609 1.00 1.00 C ATOM 451 CD1 ILE A 103 1.124 3.548 -6.185 1.00 1.00 C ATOM 0 H ILE A 103 3.135 -0.757 -6.835 1.00 1.00 H new ATOM 0 HA ILE A 103 0.977 1.086 -7.703 1.00 1.00 H new ATOM 0 HB ILE A 103 0.644 0.253 -5.340 1.00 1.00 H new ATOM 0 HG12 ILE A 103 -0.531 2.168 -6.111 1.00 1.00 H new ATOM 0 HG13 ILE A 103 0.131 2.571 -4.539 1.00 1.00 H new ATOM 0 HG21 ILE A 103 2.019 1.334 -3.612 1.00 1.00 H new ATOM 0 HG22 ILE A 103 2.967 0.214 -4.619 1.00 1.00 H new ATOM 0 HG23 ILE A 103 3.098 1.970 -4.875 1.00 1.00 H new ATOM 0 HD11 ILE A 103 0.479 4.426 -6.138 1.00 1.00 H new ATOM 0 HD12 ILE A 103 2.041 3.742 -5.629 1.00 1.00 H new ATOM 0 HD13 ILE A 103 1.369 3.332 -7.225 1.00 1.00 H new ATOM 462 N GLU A 104 2.951 2.192 -8.675 1.00 1.00 N ATOM 463 CA GLU A 104 3.995 3.065 -9.182 1.00 1.00 C ATOM 464 C GLU A 104 3.695 4.521 -8.816 1.00 1.00 C ATOM 465 O GLU A 104 2.734 5.103 -9.314 1.00 1.00 O ATOM 466 CB GLU A 104 4.160 2.903 -10.695 1.00 1.00 C ATOM 467 CG GLU A 104 5.571 2.427 -11.045 1.00 1.00 C ATOM 468 CD GLU A 104 6.618 3.462 -10.632 1.00 1.00 C ATOM 469 OE1 GLU A 104 7.438 3.193 -9.742 1.00 1.00 O ATOM 470 OE2 GLU A 104 6.561 4.580 -11.272 1.00 1.00 O ATOM 0 H GLU A 104 2.229 1.952 -9.354 1.00 1.00 H new ATOM 0 HA GLU A 104 4.937 2.780 -8.714 1.00 1.00 H new ATOM 0 HB2 GLU A 104 3.428 2.188 -11.070 1.00 1.00 H new ATOM 0 HB3 GLU A 104 3.960 3.853 -11.190 1.00 1.00 H new ATOM 0 HG2 GLU A 104 5.774 1.480 -10.544 1.00 1.00 H new ATOM 0 HG3 GLU A 104 5.641 2.242 -12.117 1.00 1.00 H new ATOM 476 N VAL A 105 4.535 5.064 -7.947 1.00 1.00 N ATOM 477 CA VAL A 105 4.371 6.439 -7.508 1.00 1.00 C ATOM 478 C VAL A 105 3.972 7.307 -8.703 1.00 1.00 C ATOM 479 O VAL A 105 4.734 7.442 -9.660 1.00 1.00 O ATOM 480 CB VAL A 105 5.648 6.924 -6.818 1.00 1.00 C ATOM 481 CG1 VAL A 105 5.572 8.421 -6.512 1.00 1.00 C ATOM 482 CG2 VAL A 105 5.924 6.118 -5.547 1.00 1.00 C ATOM 0 H VAL A 105 5.331 4.577 -7.535 1.00 1.00 H new ATOM 0 HA VAL A 105 3.571 6.512 -6.771 1.00 1.00 H new ATOM 0 HB VAL A 105 6.480 6.765 -7.504 1.00 1.00 H new ATOM 0 HG11 VAL A 105 6.492 8.739 -6.022 1.00 1.00 H new ATOM 0 HG12 VAL A 105 5.445 8.976 -7.441 1.00 1.00 H new ATOM 0 HG13 VAL A 105 4.725 8.615 -5.854 1.00 1.00 H new ATOM 0 HG21 VAL A 105 6.837 6.483 -5.076 1.00 1.00 H new ATOM 0 HG22 VAL A 105 5.089 6.231 -4.856 1.00 1.00 H new ATOM 0 HG23 VAL A 105 6.043 5.065 -5.803 1.00 1.00 H new ATOM 492 N GLY A 106 2.777 7.873 -8.609 1.00 1.00 N ATOM 493 CA GLY A 106 2.267 8.725 -9.670 1.00 1.00 C ATOM 494 C GLY A 106 1.144 8.028 -10.440 1.00 1.00 C ATOM 495 O GLY A 106 0.798 8.437 -11.547 1.00 1.00 O ATOM 0 H GLY A 106 2.148 7.758 -7.815 1.00 1.00 H new ATOM 0 HA2 GLY A 106 1.897 9.658 -9.246 1.00 1.00 H new ATOM 0 HA3 GLY A 106 3.075 8.984 -10.354 1.00 1.00 H new ATOM 499 N GLN A 107 0.603 6.988 -9.822 1.00 1.00 N ATOM 500 CA GLN A 107 -0.475 6.230 -10.435 1.00 1.00 C ATOM 501 C GLN A 107 -1.720 6.266 -9.547 1.00 1.00 C ATOM 502 O GLN A 107 -1.647 6.664 -8.385 1.00 1.00 O ATOM 503 CB GLN A 107 -0.042 4.790 -10.716 1.00 1.00 C ATOM 504 CG GLN A 107 -0.887 4.172 -11.831 1.00 1.00 C ATOM 505 CD GLN A 107 -0.120 3.058 -12.547 1.00 1.00 C ATOM 506 OE1 GLN A 107 0.280 3.182 -13.693 1.00 1.00 O ATOM 507 NE2 GLN A 107 0.062 1.966 -11.809 1.00 1.00 N ATOM 0 H GLN A 107 0.891 6.652 -8.903 1.00 1.00 H new ATOM 0 HA GLN A 107 -0.721 6.693 -11.391 1.00 1.00 H new ATOM 0 HB2 GLN A 107 1.010 4.772 -10.999 1.00 1.00 H new ATOM 0 HB3 GLN A 107 -0.138 4.194 -9.809 1.00 1.00 H new ATOM 0 HG2 GLN A 107 -1.811 3.772 -11.413 1.00 1.00 H new ATOM 0 HG3 GLN A 107 -1.169 4.943 -12.548 1.00 1.00 H new ATOM 0 HE21 GLN A 107 -0.299 1.929 -10.856 1.00 1.00 H new ATOM 0 HE22 GLN A 107 0.563 1.166 -12.196 1.00 1.00 H new ATOM 514 N LYS A 108 -2.833 5.843 -10.126 1.00 1.00 N ATOM 515 CA LYS A 108 -4.093 5.820 -9.401 1.00 1.00 C ATOM 516 C LYS A 108 -4.509 4.369 -9.154 1.00 1.00 C ATOM 517 O LYS A 108 -4.018 3.457 -9.818 1.00 1.00 O ATOM 518 CB LYS A 108 -5.150 6.645 -10.138 1.00 1.00 C ATOM 519 CG LYS A 108 -6.481 6.631 -9.383 1.00 1.00 C ATOM 520 CD LYS A 108 -7.386 7.773 -9.847 1.00 1.00 C ATOM 521 CE LYS A 108 -8.633 7.234 -10.552 1.00 1.00 C ATOM 522 NZ LYS A 108 -9.166 8.236 -11.502 1.00 1.00 N ATOM 0 H LYS A 108 -2.890 5.513 -11.090 1.00 1.00 H new ATOM 0 HA LYS A 108 -3.978 6.290 -8.424 1.00 1.00 H new ATOM 0 HB2 LYS A 108 -4.802 7.672 -10.250 1.00 1.00 H new ATOM 0 HB3 LYS A 108 -5.293 6.246 -11.142 1.00 1.00 H new ATOM 0 HG2 LYS A 108 -6.983 5.677 -9.542 1.00 1.00 H new ATOM 0 HG3 LYS A 108 -6.297 6.720 -8.312 1.00 1.00 H new ATOM 0 HD2 LYS A 108 -7.682 8.378 -8.990 1.00 1.00 H new ATOM 0 HD3 LYS A 108 -6.835 8.426 -10.524 1.00 1.00 H new ATOM 0 HE2 LYS A 108 -8.388 6.314 -11.084 1.00 1.00 H new ATOM 0 HE3 LYS A 108 -9.395 6.983 -9.814 1.00 1.00 H new ATOM 0 HZ1 LYS A 108 -10.012 7.854 -11.971 1.00 1.00 H new ATOM 0 HZ2 LYS A 108 -9.418 9.103 -10.987 1.00 1.00 H new ATOM 0 HZ3 LYS A 108 -8.443 8.456 -12.217 1.00 1.00 H new ATOM 531 N VAL A 109 -5.409 4.200 -8.198 1.00 1.00 N ATOM 532 CA VAL A 109 -5.896 2.875 -7.854 1.00 1.00 C ATOM 533 C VAL A 109 -7.393 2.950 -7.544 1.00 1.00 C ATOM 534 O VAL A 109 -7.870 3.950 -7.009 1.00 1.00 O ATOM 535 CB VAL A 109 -5.075 2.297 -6.699 1.00 1.00 C ATOM 536 CG1 VAL A 109 -3.627 2.049 -7.128 1.00 1.00 C ATOM 537 CG2 VAL A 109 -5.136 3.210 -5.474 1.00 1.00 C ATOM 0 H VAL A 109 -5.814 4.959 -7.650 1.00 1.00 H new ATOM 0 HA VAL A 109 -5.772 2.194 -8.696 1.00 1.00 H new ATOM 0 HB VAL A 109 -5.512 1.337 -6.423 1.00 1.00 H new ATOM 0 HG11 VAL A 109 -3.064 1.638 -6.290 1.00 1.00 H new ATOM 0 HG12 VAL A 109 -3.609 1.342 -7.958 1.00 1.00 H new ATOM 0 HG13 VAL A 109 -3.175 2.989 -7.443 1.00 1.00 H new ATOM 0 HG21 VAL A 109 -4.545 2.777 -4.667 1.00 1.00 H new ATOM 0 HG22 VAL A 109 -4.736 4.191 -5.731 1.00 1.00 H new ATOM 0 HG23 VAL A 109 -6.171 3.314 -5.149 1.00 1.00 H new ATOM 547 N ASN A 110 -8.092 1.881 -7.893 1.00 1.00 N ATOM 548 CA ASN A 110 -9.524 1.814 -7.658 1.00 1.00 C ATOM 549 C ASN A 110 -9.853 0.525 -6.902 1.00 1.00 C ATOM 550 O ASN A 110 -9.206 -0.501 -7.106 1.00 1.00 O ATOM 551 CB ASN A 110 -10.299 1.798 -8.978 1.00 1.00 C ATOM 552 CG ASN A 110 -9.807 0.671 -9.888 1.00 1.00 C ATOM 553 OD1 ASN A 110 -10.391 -0.397 -9.969 1.00 1.00 O ATOM 554 ND2 ASN A 110 -8.703 0.969 -10.568 1.00 1.00 N ATOM 0 H ASN A 110 -7.693 1.054 -8.337 1.00 1.00 H new ATOM 0 HA ASN A 110 -9.812 2.693 -7.081 1.00 1.00 H new ATOM 0 HB2 ASN A 110 -11.363 1.671 -8.778 1.00 1.00 H new ATOM 0 HB3 ASN A 110 -10.182 2.756 -9.484 1.00 1.00 H new ATOM 0 HD21 ASN A 110 -8.295 0.284 -11.204 1.00 1.00 H new ATOM 0 HD22 ASN A 110 -8.264 1.883 -10.453 1.00 1.00 H new ATOM 560 N VAL A 111 -10.860 0.620 -6.045 1.00 1.00 N ATOM 561 CA VAL A 111 -11.282 -0.526 -5.257 1.00 1.00 C ATOM 562 C VAL A 111 -11.247 -1.781 -6.131 1.00 1.00 C ATOM 563 O VAL A 111 -12.067 -1.937 -7.034 1.00 1.00 O ATOM 564 CB VAL A 111 -12.660 -0.261 -4.646 1.00 1.00 C ATOM 565 CG1 VAL A 111 -13.772 -0.534 -5.662 1.00 1.00 C ATOM 566 CG2 VAL A 111 -12.864 -1.088 -3.376 1.00 1.00 C ATOM 0 H VAL A 111 -11.395 1.472 -5.879 1.00 1.00 H new ATOM 0 HA VAL A 111 -10.598 -0.691 -4.425 1.00 1.00 H new ATOM 0 HB VAL A 111 -12.708 0.793 -4.372 1.00 1.00 H new ATOM 0 HG11 VAL A 111 -14.741 -0.338 -5.203 1.00 1.00 H new ATOM 0 HG12 VAL A 111 -13.642 0.117 -6.527 1.00 1.00 H new ATOM 0 HG13 VAL A 111 -13.726 -1.575 -5.981 1.00 1.00 H new ATOM 0 HG21 VAL A 111 -13.851 -0.881 -2.962 1.00 1.00 H new ATOM 0 HG22 VAL A 111 -12.786 -2.148 -3.616 1.00 1.00 H new ATOM 0 HG23 VAL A 111 -12.101 -0.825 -2.644 1.00 1.00 H new ATOM 576 N GLY A 112 -10.287 -2.645 -5.831 1.00 1.00 N ATOM 577 CA GLY A 112 -10.134 -3.881 -6.578 1.00 1.00 C ATOM 578 C GLY A 112 -8.728 -3.993 -7.172 1.00 1.00 C ATOM 579 O GLY A 112 -8.360 -5.034 -7.714 1.00 1.00 O ATOM 0 H GLY A 112 -9.608 -2.513 -5.081 1.00 1.00 H new ATOM 0 HA2 GLY A 112 -10.325 -4.732 -5.924 1.00 1.00 H new ATOM 0 HA3 GLY A 112 -10.874 -3.921 -7.377 1.00 1.00 H new ATOM 583 N ASP A 113 -7.980 -2.907 -7.048 1.00 1.00 N ATOM 584 CA ASP A 113 -6.622 -2.869 -7.565 1.00 1.00 C ATOM 585 C ASP A 113 -5.639 -3.125 -6.421 1.00 1.00 C ATOM 586 O ASP A 113 -5.814 -2.608 -5.319 1.00 1.00 O ATOM 587 CB ASP A 113 -6.301 -1.501 -8.169 1.00 1.00 C ATOM 588 CG ASP A 113 -6.218 -1.471 -9.696 1.00 1.00 C ATOM 589 OD1 ASP A 113 -7.241 -1.364 -10.388 1.00 1.00 O ATOM 590 OD2 ASP A 113 -5.026 -1.566 -10.180 1.00 1.00 O ATOM 0 H ASP A 113 -8.288 -2.046 -6.597 1.00 1.00 H new ATOM 0 HA ASP A 113 -6.533 -3.633 -8.337 1.00 1.00 H new ATOM 0 HB2 ASP A 113 -7.063 -0.791 -7.848 1.00 1.00 H new ATOM 0 HB3 ASP A 113 -5.351 -1.155 -7.762 1.00 1.00 H new ATOM 595 N THR A 114 -4.625 -3.923 -6.723 1.00 1.00 N ATOM 596 CA THR A 114 -3.613 -4.253 -5.733 1.00 1.00 C ATOM 597 C THR A 114 -3.047 -2.979 -5.103 1.00 1.00 C ATOM 598 O THR A 114 -3.381 -1.873 -5.525 1.00 1.00 O ATOM 599 CB THR A 114 -2.551 -5.119 -6.415 1.00 1.00 C ATOM 600 OG1 THR A 114 -3.274 -6.254 -6.881 1.00 1.00 O ATOM 601 CG2 THR A 114 -1.543 -5.700 -5.421 1.00 1.00 C ATOM 0 H THR A 114 -4.482 -4.350 -7.638 1.00 1.00 H new ATOM 0 HA THR A 114 -4.038 -4.824 -4.907 1.00 1.00 H new ATOM 0 HB THR A 114 -2.023 -4.525 -7.161 1.00 1.00 H new ATOM 0 HG1 THR A 114 -2.661 -6.867 -7.338 1.00 1.00 H new ATOM 0 HG21 THR A 114 -0.812 -6.306 -5.956 1.00 1.00 H new ATOM 0 HG22 THR A 114 -1.032 -4.888 -4.904 1.00 1.00 H new ATOM 0 HG23 THR A 114 -2.066 -6.321 -4.694 1.00 1.00 H new ATOM 609 N LEU A 115 -2.201 -3.178 -4.104 1.00 1.00 N ATOM 610 CA LEU A 115 -1.585 -2.059 -3.411 1.00 1.00 C ATOM 611 C LEU A 115 -0.112 -2.378 -3.144 1.00 1.00 C ATOM 612 O LEU A 115 0.760 -1.542 -3.377 1.00 1.00 O ATOM 613 CB LEU A 115 -2.376 -1.708 -2.151 1.00 1.00 C ATOM 614 CG LEU A 115 -2.613 -0.217 -1.900 1.00 1.00 C ATOM 615 CD1 LEU A 115 -3.159 0.470 -3.154 1.00 1.00 C ATOM 616 CD2 LEU A 115 -3.520 -0.001 -0.686 1.00 1.00 C ATOM 0 H LEU A 115 -1.927 -4.097 -3.757 1.00 1.00 H new ATOM 0 HA LEU A 115 -1.610 -1.165 -4.034 1.00 1.00 H new ATOM 0 HB2 LEU A 115 -3.344 -2.205 -2.204 1.00 1.00 H new ATOM 0 HB3 LEU A 115 -1.852 -2.122 -1.290 1.00 1.00 H new ATOM 0 HG LEU A 115 -1.654 0.247 -1.670 1.00 1.00 H new ATOM 0 HD11 LEU A 115 -3.319 1.529 -2.949 1.00 1.00 H new ATOM 0 HD12 LEU A 115 -2.443 0.362 -3.969 1.00 1.00 H new ATOM 0 HD13 LEU A 115 -4.105 0.009 -3.439 1.00 1.00 H new ATOM 0 HD21 LEU A 115 -3.672 1.067 -0.531 1.00 1.00 H new ATOM 0 HD22 LEU A 115 -4.482 -0.483 -0.860 1.00 1.00 H new ATOM 0 HD23 LEU A 115 -3.053 -0.434 0.199 1.00 1.00 H new ATOM 627 N CYS A 116 0.120 -3.589 -2.658 1.00 1.00 N ATOM 628 CA CYS A 116 1.470 -4.028 -2.356 1.00 1.00 C ATOM 629 C CYS A 116 1.411 -5.487 -1.898 1.00 1.00 C ATOM 630 O CYS A 116 0.405 -6.164 -2.102 1.00 1.00 O ATOM 631 CB CYS A 116 2.139 -3.128 -1.314 1.00 1.00 C ATOM 632 SG CYS A 116 1.483 -3.507 0.351 1.00 1.00 S ATOM 0 H CYS A 116 -0.606 -4.280 -2.466 1.00 1.00 H new ATOM 0 HA CYS A 116 2.087 -3.955 -3.252 1.00 1.00 H new ATOM 0 HB2 CYS A 116 3.219 -3.277 -1.331 1.00 1.00 H new ATOM 0 HB3 CYS A 116 1.958 -2.081 -1.556 1.00 1.00 H new ATOM 0 HG CYS A 116 2.317 -3.083 1.253 1.00 1.00 H new ATOM 637 N ILE A 117 2.500 -5.927 -1.286 1.00 1.00 N ATOM 638 CA ILE A 117 2.584 -7.292 -0.795 1.00 1.00 C ATOM 639 C ILE A 117 3.175 -7.288 0.616 1.00 1.00 C ATOM 640 O ILE A 117 3.898 -6.364 0.987 1.00 1.00 O ATOM 641 CB ILE A 117 3.357 -8.169 -1.783 1.00 1.00 C ATOM 642 CG1 ILE A 117 2.774 -8.052 -3.193 1.00 1.00 C ATOM 643 CG2 ILE A 117 3.408 -9.620 -1.302 1.00 1.00 C ATOM 644 CD1 ILE A 117 3.182 -9.247 -4.056 1.00 1.00 C ATOM 0 H ILE A 117 3.333 -5.362 -1.119 1.00 1.00 H new ATOM 0 HA ILE A 117 1.590 -7.732 -0.722 1.00 1.00 H new ATOM 0 HB ILE A 117 4.385 -7.808 -1.829 1.00 1.00 H new ATOM 0 HG12 ILE A 117 1.687 -7.994 -3.137 1.00 1.00 H new ATOM 0 HG13 ILE A 117 3.119 -7.129 -3.658 1.00 1.00 H new ATOM 0 HG21 ILE A 117 3.963 -10.223 -2.021 1.00 1.00 H new ATOM 0 HG22 ILE A 117 3.904 -9.665 -0.332 1.00 1.00 H new ATOM 0 HG23 ILE A 117 2.394 -10.008 -1.209 1.00 1.00 H new ATOM 0 HD11 ILE A 117 2.754 -9.139 -5.053 1.00 1.00 H new ATOM 0 HD12 ILE A 117 4.269 -9.288 -4.130 1.00 1.00 H new ATOM 0 HD13 ILE A 117 2.814 -10.167 -3.601 1.00 1.00 H new ATOM 655 N VAL A 118 2.844 -8.330 1.364 1.00 1.00 N ATOM 656 CA VAL A 118 3.333 -8.457 2.726 1.00 1.00 C ATOM 657 C VAL A 118 3.669 -9.923 3.008 1.00 1.00 C ATOM 658 O VAL A 118 2.835 -10.805 2.808 1.00 1.00 O ATOM 659 CB VAL A 118 2.310 -7.881 3.706 1.00 1.00 C ATOM 660 CG1 VAL A 118 2.657 -8.256 5.148 1.00 1.00 C ATOM 661 CG2 VAL A 118 2.193 -6.364 3.548 1.00 1.00 C ATOM 0 H VAL A 118 2.244 -9.094 1.053 1.00 1.00 H new ATOM 0 HA VAL A 118 4.249 -7.881 2.857 1.00 1.00 H new ATOM 0 HB VAL A 118 1.340 -8.319 3.471 1.00 1.00 H new ATOM 0 HG11 VAL A 118 1.913 -7.833 5.823 1.00 1.00 H new ATOM 0 HG12 VAL A 118 2.664 -9.341 5.250 1.00 1.00 H new ATOM 0 HG13 VAL A 118 3.641 -7.861 5.400 1.00 1.00 H new ATOM 0 HG21 VAL A 118 1.459 -5.980 4.256 1.00 1.00 H new ATOM 0 HG22 VAL A 118 3.161 -5.902 3.742 1.00 1.00 H new ATOM 0 HG23 VAL A 118 1.875 -6.127 2.533 1.00 1.00 H new ATOM 671 N GLU A 119 4.893 -10.139 3.467 1.00 1.00 N ATOM 672 CA GLU A 119 5.350 -11.483 3.778 1.00 1.00 C ATOM 673 C GLU A 119 4.933 -11.871 5.197 1.00 1.00 C ATOM 674 O GLU A 119 5.211 -11.144 6.151 1.00 1.00 O ATOM 675 CB GLU A 119 6.865 -11.601 3.600 1.00 1.00 C ATOM 676 CG GLU A 119 7.243 -12.964 3.013 1.00 1.00 C ATOM 677 CD GLU A 119 8.603 -12.901 2.314 1.00 1.00 C ATOM 678 OE1 GLU A 119 9.638 -12.768 2.983 1.00 1.00 O ATOM 679 OE2 GLU A 119 8.560 -12.997 1.029 1.00 1.00 O ATOM 0 H GLU A 119 5.583 -9.406 3.631 1.00 1.00 H new ATOM 0 HA GLU A 119 4.880 -12.176 3.081 1.00 1.00 H new ATOM 0 HB2 GLU A 119 7.221 -10.807 2.944 1.00 1.00 H new ATOM 0 HB3 GLU A 119 7.360 -11.465 4.562 1.00 1.00 H new ATOM 0 HG2 GLU A 119 7.272 -13.711 3.807 1.00 1.00 H new ATOM 0 HG3 GLU A 119 6.480 -13.283 2.303 1.00 1.00 H new ATOM 685 N ALA A 120 4.272 -13.015 5.294 1.00 1.00 N ATOM 686 CA ALA A 120 3.813 -13.508 6.582 1.00 1.00 C ATOM 687 C ALA A 120 3.549 -15.011 6.483 1.00 1.00 C ATOM 688 O ALA A 120 3.326 -15.536 5.393 1.00 1.00 O ATOM 689 CB ALA A 120 2.573 -12.725 7.017 1.00 1.00 C ATOM 0 H ALA A 120 4.043 -13.615 4.502 1.00 1.00 H new ATOM 0 HA ALA A 120 4.577 -13.357 7.345 1.00 1.00 H new ATOM 0 HB1 ALA A 120 2.229 -13.095 7.983 1.00 1.00 H new ATOM 0 HB2 ALA A 120 2.822 -11.667 7.101 1.00 1.00 H new ATOM 0 HB3 ALA A 120 1.783 -12.854 6.277 1.00 1.00 H new ATOM 695 N MET A 121 3.583 -15.663 7.636 1.00 1.00 N ATOM 696 CA MET A 121 3.349 -17.095 7.693 1.00 1.00 C ATOM 697 C MET A 121 4.155 -17.826 6.617 1.00 1.00 C ATOM 698 O MET A 121 3.654 -18.752 5.982 1.00 1.00 O ATOM 699 CB MET A 121 1.859 -17.379 7.495 1.00 1.00 C ATOM 700 CG MET A 121 1.042 -16.878 8.688 1.00 1.00 C ATOM 701 SD MET A 121 -0.069 -18.158 9.248 1.00 1.00 S ATOM 702 CE MET A 121 1.017 -19.052 10.347 1.00 1.00 C ATOM 0 H MET A 121 3.769 -15.225 8.538 1.00 1.00 H new ATOM 0 HA MET A 121 3.670 -17.457 8.670 1.00 1.00 H new ATOM 0 HB2 MET A 121 1.511 -16.895 6.582 1.00 1.00 H new ATOM 0 HB3 MET A 121 1.703 -18.450 7.367 1.00 1.00 H new ATOM 0 HG2 MET A 121 1.709 -16.584 9.498 1.00 1.00 H new ATOM 0 HG3 MET A 121 0.475 -15.991 8.404 1.00 1.00 H new ATOM 0 HE1 MET A 121 0.479 -19.892 10.787 1.00 1.00 H new ATOM 0 HE2 MET A 121 1.875 -19.424 9.787 1.00 1.00 H new ATOM 0 HE3 MET A 121 1.361 -18.387 11.139 1.00 1.00 H new ATOM 710 N LYS A 122 5.392 -17.381 6.447 1.00 1.00 N ATOM 711 CA LYS A 122 6.273 -17.980 5.458 1.00 1.00 C ATOM 712 C LYS A 122 5.533 -18.094 4.123 1.00 1.00 C ATOM 713 O LYS A 122 5.561 -19.141 3.480 1.00 1.00 O ATOM 714 CB LYS A 122 6.824 -19.313 5.969 1.00 1.00 C ATOM 715 CG LYS A 122 5.704 -20.342 6.138 1.00 1.00 C ATOM 716 CD LYS A 122 6.274 -21.753 6.296 1.00 1.00 C ATOM 717 CE LYS A 122 6.811 -22.279 4.964 1.00 1.00 C ATOM 718 NZ LYS A 122 7.831 -23.327 5.193 1.00 1.00 N ATOM 0 H LYS A 122 5.805 -16.613 6.977 1.00 1.00 H new ATOM 0 HA LYS A 122 7.142 -17.344 5.289 1.00 1.00 H new ATOM 0 HB2 LYS A 122 7.570 -19.694 5.271 1.00 1.00 H new ATOM 0 HB3 LYS A 122 7.329 -19.160 6.923 1.00 1.00 H new ATOM 0 HG2 LYS A 122 5.102 -20.089 7.011 1.00 1.00 H new ATOM 0 HG3 LYS A 122 5.041 -20.309 5.273 1.00 1.00 H new ATOM 0 HD2 LYS A 122 7.073 -21.745 7.037 1.00 1.00 H new ATOM 0 HD3 LYS A 122 5.499 -22.422 6.670 1.00 1.00 H new ATOM 0 HE2 LYS A 122 5.992 -22.684 4.370 1.00 1.00 H new ATOM 0 HE3 LYS A 122 7.245 -21.460 4.391 1.00 1.00 H new ATOM 0 HZ1 LYS A 122 8.185 -23.673 4.278 1.00 1.00 H new ATOM 0 HZ2 LYS A 122 8.620 -22.929 5.742 1.00 1.00 H new ATOM 0 HZ3 LYS A 122 7.406 -24.116 5.720 1.00 1.00 H new ATOM 727 N MET A 123 4.888 -16.999 3.747 1.00 1.00 N ATOM 728 CA MET A 123 4.141 -16.962 2.501 1.00 1.00 C ATOM 729 C MET A 123 3.780 -15.524 2.121 1.00 1.00 C ATOM 730 O MET A 123 3.508 -14.698 2.990 1.00 1.00 O ATOM 731 CB MET A 123 2.862 -17.788 2.647 1.00 1.00 C ATOM 732 CG MET A 123 2.938 -19.069 1.814 1.00 1.00 C ATOM 733 SD MET A 123 2.595 -18.705 0.101 1.00 1.00 S ATOM 734 CE MET A 123 2.477 -20.361 -0.551 1.00 1.00 C ATOM 0 H MET A 123 4.867 -16.131 4.283 1.00 1.00 H new ATOM 0 HA MET A 123 4.766 -17.381 1.712 1.00 1.00 H new ATOM 0 HB2 MET A 123 2.706 -18.041 3.696 1.00 1.00 H new ATOM 0 HB3 MET A 123 2.004 -17.195 2.331 1.00 1.00 H new ATOM 0 HG2 MET A 123 3.928 -19.516 1.908 1.00 1.00 H new ATOM 0 HG3 MET A 123 2.222 -19.800 2.189 1.00 1.00 H new ATOM 0 HE1 MET A 123 2.264 -20.317 -1.619 1.00 1.00 H new ATOM 0 HE2 MET A 123 3.420 -20.884 -0.390 1.00 1.00 H new ATOM 0 HE3 MET A 123 1.674 -20.896 -0.043 1.00 1.00 H new ATOM 742 N MET A 124 3.790 -15.271 0.820 1.00 1.00 N ATOM 743 CA MET A 124 3.468 -13.947 0.314 1.00 1.00 C ATOM 744 C MET A 124 1.975 -13.649 0.472 1.00 1.00 C ATOM 745 O MET A 124 1.134 -14.485 0.149 1.00 1.00 O ATOM 746 CB MET A 124 3.853 -13.857 -1.163 1.00 1.00 C ATOM 747 CG MET A 124 2.809 -14.545 -2.045 1.00 1.00 C ATOM 748 SD MET A 124 3.585 -15.204 -3.511 1.00 1.00 S ATOM 749 CE MET A 124 2.784 -14.211 -4.759 1.00 1.00 C ATOM 0 H MET A 124 4.016 -15.959 0.102 1.00 1.00 H new ATOM 0 HA MET A 124 4.030 -13.212 0.890 1.00 1.00 H new ATOM 0 HB2 MET A 124 3.948 -12.811 -1.455 1.00 1.00 H new ATOM 0 HB3 MET A 124 4.827 -14.321 -1.317 1.00 1.00 H new ATOM 0 HG2 MET A 124 2.323 -15.347 -1.489 1.00 1.00 H new ATOM 0 HG3 MET A 124 2.031 -13.834 -2.324 1.00 1.00 H new ATOM 0 HE1 MET A 124 3.156 -14.495 -5.744 1.00 1.00 H new ATOM 0 HE2 MET A 124 1.707 -14.373 -4.717 1.00 1.00 H new ATOM 0 HE3 MET A 124 2.999 -13.158 -4.580 1.00 1.00 H new ATOM 757 N ASN A 125 1.692 -12.453 0.969 1.00 1.00 N ATOM 758 CA ASN A 125 0.317 -12.034 1.173 1.00 1.00 C ATOM 759 C ASN A 125 0.100 -10.670 0.514 1.00 1.00 C ATOM 760 O ASN A 125 0.507 -9.643 1.054 1.00 1.00 O ATOM 761 CB ASN A 125 0.000 -11.894 2.663 1.00 1.00 C ATOM 762 CG ASN A 125 0.354 -13.175 3.422 1.00 1.00 C ATOM 763 OD1 ASN A 125 1.631 -13.251 3.785 1.00 1.00 O flip ATOM 764 ND2 ASN A 125 -0.476 -14.035 3.661 1.00 1.00 N flip ATOM 0 H ASN A 125 2.393 -11.761 1.236 1.00 1.00 H new ATOM 0 HA ASN A 125 -0.334 -12.790 0.734 1.00 1.00 H new ATOM 0 HB2 ASN A 125 0.557 -11.055 3.080 1.00 1.00 H new ATOM 0 HB3 ASN A 125 -1.059 -11.670 2.794 1.00 1.00 H new ATOM 0 HD21 ASN A 125 -1.441 -13.913 3.353 1.00 1.00 H new ATOM 0 HD22 ASN A 125 -0.206 -14.877 4.169 1.00 1.00 H new ATOM 770 N GLN A 126 -0.539 -10.704 -0.646 1.00 1.00 N ATOM 771 CA GLN A 126 -0.815 -9.484 -1.385 1.00 1.00 C ATOM 772 C GLN A 126 -1.761 -8.583 -0.589 1.00 1.00 C ATOM 773 O GLN A 126 -2.472 -9.054 0.298 1.00 1.00 O ATOM 774 CB GLN A 126 -1.389 -9.798 -2.768 1.00 1.00 C ATOM 775 CG GLN A 126 -0.277 -10.161 -3.754 1.00 1.00 C ATOM 776 CD GLN A 126 -0.767 -11.186 -4.779 1.00 1.00 C ATOM 777 OE1 GLN A 126 -0.558 -12.381 -4.648 1.00 1.00 O ATOM 778 NE2 GLN A 126 -1.426 -10.654 -5.805 1.00 1.00 N ATOM 0 H GLN A 126 -0.874 -11.558 -1.092 1.00 1.00 H new ATOM 0 HA GLN A 126 0.124 -8.951 -1.531 1.00 1.00 H new ATOM 0 HB2 GLN A 126 -2.097 -10.623 -2.693 1.00 1.00 H new ATOM 0 HB3 GLN A 126 -1.943 -8.936 -3.140 1.00 1.00 H new ATOM 0 HG2 GLN A 126 0.066 -9.263 -4.268 1.00 1.00 H new ATOM 0 HG3 GLN A 126 0.578 -10.564 -3.211 1.00 1.00 H new ATOM 0 HE21 GLN A 126 -1.566 -9.645 -5.853 1.00 1.00 H new ATOM 0 HE22 GLN A 126 -1.791 -11.255 -6.543 1.00 1.00 H new ATOM 785 N ILE A 127 -1.741 -7.305 -0.936 1.00 1.00 N ATOM 786 CA ILE A 127 -2.590 -6.335 -0.265 1.00 1.00 C ATOM 787 C ILE A 127 -3.419 -5.581 -1.307 1.00 1.00 C ATOM 788 O ILE A 127 -2.869 -4.865 -2.143 1.00 1.00 O ATOM 789 CB ILE A 127 -1.754 -5.421 0.633 1.00 1.00 C ATOM 790 CG1 ILE A 127 -0.804 -6.237 1.513 1.00 1.00 C ATOM 791 CG2 ILE A 127 -2.648 -4.496 1.460 1.00 1.00 C ATOM 792 CD1 ILE A 127 -1.485 -6.651 2.819 1.00 1.00 C ATOM 0 H ILE A 127 -1.151 -6.918 -1.673 1.00 1.00 H new ATOM 0 HA ILE A 127 -3.293 -6.839 0.398 1.00 1.00 H new ATOM 0 HB ILE A 127 -1.138 -4.787 -0.005 1.00 1.00 H new ATOM 0 HG12 ILE A 127 -0.475 -7.125 0.973 1.00 1.00 H new ATOM 0 HG13 ILE A 127 0.087 -5.650 1.734 1.00 1.00 H new ATOM 0 HG21 ILE A 127 -2.028 -3.857 2.089 1.00 1.00 H new ATOM 0 HG22 ILE A 127 -3.247 -3.876 0.792 1.00 1.00 H new ATOM 0 HG23 ILE A 127 -3.308 -5.094 2.089 1.00 1.00 H new ATOM 0 HD11 ILE A 127 -0.788 -7.229 3.425 1.00 1.00 H new ATOM 0 HD12 ILE A 127 -1.791 -5.760 3.368 1.00 1.00 H new ATOM 0 HD13 ILE A 127 -2.362 -7.258 2.595 1.00 1.00 H new ATOM 803 N GLU A 128 -4.728 -5.767 -1.223 1.00 1.00 N ATOM 804 CA GLU A 128 -5.638 -5.114 -2.148 1.00 1.00 C ATOM 805 C GLU A 128 -6.149 -3.802 -1.553 1.00 1.00 C ATOM 806 O GLU A 128 -6.270 -3.673 -0.334 1.00 1.00 O ATOM 807 CB GLU A 128 -6.800 -6.037 -2.519 1.00 1.00 C ATOM 808 CG GLU A 128 -7.582 -5.484 -3.712 1.00 1.00 C ATOM 809 CD GLU A 128 -8.835 -6.319 -3.982 1.00 1.00 C ATOM 810 OE1 GLU A 128 -8.808 -7.217 -4.837 1.00 1.00 O ATOM 811 OE2 GLU A 128 -9.862 -6.009 -3.266 1.00 1.00 O ATOM 0 H GLU A 128 -5.180 -6.361 -0.528 1.00 1.00 H new ATOM 0 HA GLU A 128 -5.092 -4.887 -3.063 1.00 1.00 H new ATOM 0 HB2 GLU A 128 -6.418 -7.029 -2.759 1.00 1.00 H new ATOM 0 HB3 GLU A 128 -7.466 -6.150 -1.664 1.00 1.00 H new ATOM 0 HG2 GLU A 128 -7.865 -4.450 -3.518 1.00 1.00 H new ATOM 0 HG3 GLU A 128 -6.946 -5.479 -4.597 1.00 1.00 H new ATOM 817 N ALA A 129 -6.438 -2.859 -2.438 1.00 1.00 N ATOM 818 CA ALA A 129 -6.933 -1.560 -2.014 1.00 1.00 C ATOM 819 C ALA A 129 -8.327 -1.726 -1.404 1.00 1.00 C ATOM 820 O ALA A 129 -8.964 -2.764 -1.577 1.00 1.00 O ATOM 821 CB ALA A 129 -6.928 -0.598 -3.204 1.00 1.00 C ATOM 0 H ALA A 129 -6.339 -2.969 -3.447 1.00 1.00 H new ATOM 0 HA ALA A 129 -6.286 -1.133 -1.248 1.00 1.00 H new ATOM 0 HB1 ALA A 129 -7.299 0.376 -2.886 1.00 1.00 H new ATOM 0 HB2 ALA A 129 -5.911 -0.493 -3.583 1.00 1.00 H new ATOM 0 HB3 ALA A 129 -7.570 -0.991 -3.992 1.00 1.00 H new ATOM 827 N ASP A 130 -8.759 -0.687 -0.705 1.00 1.00 N ATOM 828 CA ASP A 130 -10.065 -0.705 -0.068 1.00 1.00 C ATOM 829 C ASP A 130 -10.667 0.701 -0.112 1.00 1.00 C ATOM 830 O ASP A 130 -11.588 1.010 0.643 1.00 1.00 O ATOM 831 CB ASP A 130 -9.958 -1.127 1.399 1.00 1.00 C ATOM 832 CG ASP A 130 -10.906 -2.253 1.818 1.00 1.00 C ATOM 833 OD1 ASP A 130 -10.468 -3.363 2.158 1.00 1.00 O ATOM 834 OD2 ASP A 130 -12.159 -1.951 1.784 1.00 1.00 O ATOM 0 H ASP A 130 -8.228 0.173 -0.566 1.00 1.00 H new ATOM 0 HA ASP A 130 -10.691 -1.419 -0.603 1.00 1.00 H new ATOM 0 HB2 ASP A 130 -8.934 -1.442 1.597 1.00 1.00 H new ATOM 0 HB3 ASP A 130 -10.151 -0.257 2.027 1.00 1.00 H new ATOM 839 N LYS A 131 -10.123 1.516 -1.004 1.00 1.00 N ATOM 840 CA LYS A 131 -10.596 2.882 -1.156 1.00 1.00 C ATOM 841 C LYS A 131 -9.786 3.578 -2.252 1.00 1.00 C ATOM 842 O LYS A 131 -8.699 4.093 -1.994 1.00 1.00 O ATOM 843 CB LYS A 131 -10.566 3.612 0.187 1.00 1.00 C ATOM 844 CG LYS A 131 -11.818 4.472 0.372 1.00 1.00 C ATOM 845 CD LYS A 131 -11.502 5.734 1.178 1.00 1.00 C ATOM 846 CE LYS A 131 -12.786 6.398 1.681 1.00 1.00 C ATOM 847 NZ LYS A 131 -12.466 7.603 2.478 1.00 1.00 N ATOM 0 H LYS A 131 -9.359 1.257 -1.629 1.00 1.00 H new ATOM 0 HA LYS A 131 -11.639 2.891 -1.474 1.00 1.00 H new ATOM 0 HB2 LYS A 131 -10.496 2.887 0.998 1.00 1.00 H new ATOM 0 HB3 LYS A 131 -9.677 4.240 0.244 1.00 1.00 H new ATOM 0 HG2 LYS A 131 -12.220 4.750 -0.602 1.00 1.00 H new ATOM 0 HG3 LYS A 131 -12.589 3.894 0.882 1.00 1.00 H new ATOM 0 HD2 LYS A 131 -10.864 5.479 2.024 1.00 1.00 H new ATOM 0 HD3 LYS A 131 -10.944 6.436 0.558 1.00 1.00 H new ATOM 0 HE2 LYS A 131 -13.417 6.671 0.835 1.00 1.00 H new ATOM 0 HE3 LYS A 131 -13.354 5.693 2.288 1.00 1.00 H new ATOM 0 HZ1 LYS A 131 -13.347 8.042 2.812 1.00 1.00 H new ATOM 0 HZ2 LYS A 131 -11.882 7.334 3.295 1.00 1.00 H new ATOM 0 HZ3 LYS A 131 -11.943 8.281 1.887 1.00 1.00 H new ATOM 856 N SER A 132 -10.346 3.571 -3.453 1.00 1.00 N ATOM 857 CA SER A 132 -9.690 4.195 -4.588 1.00 1.00 C ATOM 858 C SER A 132 -9.022 5.501 -4.154 1.00 1.00 C ATOM 859 O SER A 132 -9.523 6.194 -3.270 1.00 1.00 O ATOM 860 CB SER A 132 -10.683 4.458 -5.722 1.00 1.00 C ATOM 861 OG SER A 132 -11.588 5.513 -5.406 1.00 1.00 O ATOM 0 H SER A 132 -11.247 3.143 -3.664 1.00 1.00 H new ATOM 0 HA SER A 132 -8.927 3.511 -4.960 1.00 1.00 H new ATOM 0 HB2 SER A 132 -10.137 4.709 -6.631 1.00 1.00 H new ATOM 0 HB3 SER A 132 -11.246 3.548 -5.929 1.00 1.00 H new ATOM 0 HG SER A 132 -12.204 5.651 -6.156 1.00 1.00 H new ATOM 866 N GLY A 133 -7.902 5.799 -4.797 1.00 1.00 N ATOM 867 CA GLY A 133 -7.162 7.010 -4.489 1.00 1.00 C ATOM 868 C GLY A 133 -5.850 7.065 -5.275 1.00 1.00 C ATOM 869 O GLY A 133 -5.600 6.220 -6.132 1.00 1.00 O ATOM 0 H GLY A 133 -7.490 5.222 -5.530 1.00 1.00 H new ATOM 0 HA2 GLY A 133 -7.770 7.883 -4.728 1.00 1.00 H new ATOM 0 HA3 GLY A 133 -6.952 7.050 -3.420 1.00 1.00 H new ATOM 873 N THR A 134 -5.048 8.069 -4.954 1.00 1.00 N ATOM 874 CA THR A 134 -3.768 8.246 -5.620 1.00 1.00 C ATOM 875 C THR A 134 -2.629 8.234 -4.598 1.00 1.00 C ATOM 876 O THR A 134 -2.836 8.554 -3.428 1.00 1.00 O ATOM 877 CB THR A 134 -3.835 9.538 -6.439 1.00 1.00 C ATOM 878 OG1 THR A 134 -4.351 9.121 -7.701 1.00 1.00 O ATOM 879 CG2 THR A 134 -2.449 10.095 -6.768 1.00 1.00 C ATOM 0 H THR A 134 -5.259 8.768 -4.242 1.00 1.00 H new ATOM 0 HA THR A 134 -3.560 7.422 -6.302 1.00 1.00 H new ATOM 0 HB THR A 134 -4.406 10.287 -5.890 1.00 1.00 H new ATOM 0 HG1 THR A 134 -4.429 9.897 -8.295 1.00 1.00 H new ATOM 0 HG21 THR A 134 -2.554 11.011 -7.350 1.00 1.00 H new ATOM 0 HG22 THR A 134 -1.915 10.312 -5.843 1.00 1.00 H new ATOM 0 HG23 THR A 134 -1.889 9.360 -7.346 1.00 1.00 H new ATOM 887 N VAL A 135 -1.451 7.860 -5.077 1.00 1.00 N ATOM 888 CA VAL A 135 -0.280 7.802 -4.220 1.00 1.00 C ATOM 889 C VAL A 135 -0.218 9.066 -3.359 1.00 1.00 C ATOM 890 O VAL A 135 -0.829 10.079 -3.695 1.00 1.00 O ATOM 891 CB VAL A 135 0.977 7.594 -5.067 1.00 1.00 C ATOM 892 CG1 VAL A 135 1.260 8.819 -5.938 1.00 1.00 C ATOM 893 CG2 VAL A 135 2.183 7.259 -4.186 1.00 1.00 C ATOM 0 H VAL A 135 -1.283 7.594 -6.047 1.00 1.00 H new ATOM 0 HA VAL A 135 -0.345 6.951 -3.542 1.00 1.00 H new ATOM 0 HB VAL A 135 0.798 6.746 -5.728 1.00 1.00 H new ATOM 0 HG11 VAL A 135 2.159 8.645 -6.530 1.00 1.00 H new ATOM 0 HG12 VAL A 135 0.415 8.995 -6.604 1.00 1.00 H new ATOM 0 HG13 VAL A 135 1.408 9.692 -5.302 1.00 1.00 H new ATOM 0 HG21 VAL A 135 3.063 7.116 -4.813 1.00 1.00 H new ATOM 0 HG22 VAL A 135 2.363 8.078 -3.489 1.00 1.00 H new ATOM 0 HG23 VAL A 135 1.983 6.344 -3.628 1.00 1.00 H new ATOM 903 N LYS A 136 0.523 8.964 -2.266 1.00 1.00 N ATOM 904 CA LYS A 136 0.671 10.086 -1.355 1.00 1.00 C ATOM 905 C LYS A 136 2.092 10.090 -0.785 1.00 1.00 C ATOM 906 O LYS A 136 2.761 11.121 -0.783 1.00 1.00 O ATOM 907 CB LYS A 136 -0.422 10.055 -0.285 1.00 1.00 C ATOM 908 CG LYS A 136 -0.834 11.472 0.119 1.00 1.00 C ATOM 909 CD LYS A 136 -1.974 11.442 1.138 1.00 1.00 C ATOM 910 CE LYS A 136 -1.896 12.641 2.083 1.00 1.00 C ATOM 911 NZ LYS A 136 -2.868 12.493 3.191 1.00 1.00 N ATOM 0 H LYS A 136 1.028 8.121 -1.991 1.00 1.00 H new ATOM 0 HA LYS A 136 0.538 11.029 -1.886 1.00 1.00 H new ATOM 0 HB2 LYS A 136 -1.290 9.514 -0.662 1.00 1.00 H new ATOM 0 HB3 LYS A 136 -0.064 9.513 0.590 1.00 1.00 H new ATOM 0 HG2 LYS A 136 0.023 11.997 0.542 1.00 1.00 H new ATOM 0 HG3 LYS A 136 -1.146 12.030 -0.764 1.00 1.00 H new ATOM 0 HD2 LYS A 136 -2.932 11.446 0.618 1.00 1.00 H new ATOM 0 HD3 LYS A 136 -1.928 10.517 1.713 1.00 1.00 H new ATOM 0 HE2 LYS A 136 -0.887 12.729 2.486 1.00 1.00 H new ATOM 0 HE3 LYS A 136 -2.100 13.559 1.532 1.00 1.00 H new ATOM 0 HZ1 LYS A 136 -2.802 13.316 3.823 1.00 1.00 H new ATOM 0 HZ2 LYS A 136 -3.831 12.432 2.802 1.00 1.00 H new ATOM 0 HZ3 LYS A 136 -2.655 11.627 3.726 1.00 1.00 H new ATOM 920 N ALA A 137 2.509 8.924 -0.314 1.00 1.00 N ATOM 921 CA ALA A 137 3.836 8.779 0.259 1.00 1.00 C ATOM 922 C ALA A 137 3.986 7.372 0.842 1.00 1.00 C ATOM 923 O ALA A 137 3.105 6.897 1.558 1.00 1.00 O ATOM 924 CB ALA A 137 4.063 9.871 1.305 1.00 1.00 C ATOM 0 H ALA A 137 1.951 8.070 -0.318 1.00 1.00 H new ATOM 0 HA ALA A 137 4.600 8.900 -0.509 1.00 1.00 H new ATOM 0 HB1 ALA A 137 5.059 9.762 1.735 1.00 1.00 H new ATOM 0 HB2 ALA A 137 3.977 10.850 0.834 1.00 1.00 H new ATOM 0 HB3 ALA A 137 3.316 9.781 2.093 1.00 1.00 H new ATOM 930 N ILE A 138 5.106 6.746 0.515 1.00 1.00 N ATOM 931 CA ILE A 138 5.382 5.404 0.998 1.00 1.00 C ATOM 932 C ILE A 138 6.402 5.475 2.135 1.00 1.00 C ATOM 933 O ILE A 138 7.480 6.045 1.973 1.00 1.00 O ATOM 934 CB ILE A 138 5.811 4.497 -0.158 1.00 1.00 C ATOM 935 CG1 ILE A 138 5.177 4.947 -1.474 1.00 1.00 C ATOM 936 CG2 ILE A 138 5.504 3.030 0.154 1.00 1.00 C ATOM 937 CD1 ILE A 138 6.031 6.019 -2.156 1.00 1.00 C ATOM 0 H ILE A 138 5.834 7.143 -0.079 1.00 1.00 H new ATOM 0 HA ILE A 138 4.478 4.953 1.409 1.00 1.00 H new ATOM 0 HB ILE A 138 6.891 4.583 -0.276 1.00 1.00 H new ATOM 0 HG12 ILE A 138 5.063 4.091 -2.139 1.00 1.00 H new ATOM 0 HG13 ILE A 138 4.178 5.339 -1.285 1.00 1.00 H new ATOM 0 HG21 ILE A 138 5.818 2.407 -0.683 1.00 1.00 H new ATOM 0 HG22 ILE A 138 6.042 2.729 1.053 1.00 1.00 H new ATOM 0 HG23 ILE A 138 4.433 2.909 0.315 1.00 1.00 H new ATOM 0 HD11 ILE A 138 5.557 6.322 -3.090 1.00 1.00 H new ATOM 0 HD12 ILE A 138 6.123 6.884 -1.499 1.00 1.00 H new ATOM 0 HD13 ILE A 138 7.022 5.616 -2.366 1.00 1.00 H new ATOM 948 N LEU A 139 6.025 4.890 3.263 1.00 1.00 N ATOM 949 CA LEU A 139 6.894 4.880 4.427 1.00 1.00 C ATOM 950 C LEU A 139 7.727 3.597 4.427 1.00 1.00 C ATOM 951 O LEU A 139 8.925 3.630 4.705 1.00 1.00 O ATOM 952 CB LEU A 139 6.078 5.082 5.706 1.00 1.00 C ATOM 953 CG LEU A 139 4.650 5.597 5.516 1.00 1.00 C ATOM 954 CD1 LEU A 139 4.001 5.923 6.862 1.00 1.00 C ATOM 955 CD2 LEU A 139 4.621 6.793 4.562 1.00 1.00 C ATOM 0 H LEU A 139 5.130 4.420 3.395 1.00 1.00 H new ATOM 0 HA LEU A 139 7.594 5.715 4.386 1.00 1.00 H new ATOM 0 HB2 LEU A 139 6.033 4.132 6.238 1.00 1.00 H new ATOM 0 HB3 LEU A 139 6.613 5.782 6.348 1.00 1.00 H new ATOM 0 HG LEU A 139 4.059 4.804 5.057 1.00 1.00 H new ATOM 0 HD11 LEU A 139 2.987 6.287 6.698 1.00 1.00 H new ATOM 0 HD12 LEU A 139 3.969 5.024 7.478 1.00 1.00 H new ATOM 0 HD13 LEU A 139 4.584 6.691 7.371 1.00 1.00 H new ATOM 0 HD21 LEU A 139 3.594 7.140 4.444 1.00 1.00 H new ATOM 0 HD22 LEU A 139 5.232 7.599 4.970 1.00 1.00 H new ATOM 0 HD23 LEU A 139 5.016 6.494 3.591 1.00 1.00 H new ATOM 966 N VAL A 140 7.060 2.496 4.110 1.00 1.00 N ATOM 967 CA VAL A 140 7.724 1.204 4.068 1.00 1.00 C ATOM 968 C VAL A 140 8.547 1.099 2.783 1.00 1.00 C ATOM 969 O VAL A 140 8.371 1.897 1.863 1.00 1.00 O ATOM 970 CB VAL A 140 6.695 0.082 4.213 1.00 1.00 C ATOM 971 CG1 VAL A 140 5.680 0.118 3.069 1.00 1.00 C ATOM 972 CG2 VAL A 140 7.380 -1.283 4.297 1.00 1.00 C ATOM 0 H VAL A 140 6.067 2.472 3.880 1.00 1.00 H new ATOM 0 HA VAL A 140 8.415 1.103 4.905 1.00 1.00 H new ATOM 0 HB VAL A 140 6.154 0.242 5.145 1.00 1.00 H new ATOM 0 HG11 VAL A 140 4.960 -0.690 3.196 1.00 1.00 H new ATOM 0 HG12 VAL A 140 5.157 1.074 3.076 1.00 1.00 H new ATOM 0 HG13 VAL A 140 6.199 -0.005 2.118 1.00 1.00 H new ATOM 0 HG21 VAL A 140 6.626 -2.063 4.400 1.00 1.00 H new ATOM 0 HG22 VAL A 140 7.959 -1.456 3.390 1.00 1.00 H new ATOM 0 HG23 VAL A 140 8.044 -1.304 5.161 1.00 1.00 H new ATOM 982 N GLU A 141 9.426 0.109 2.760 1.00 1.00 N ATOM 983 CA GLU A 141 10.276 -0.111 1.602 1.00 1.00 C ATOM 984 C GLU A 141 10.010 -1.494 1.003 1.00 1.00 C ATOM 985 O GLU A 141 9.371 -2.335 1.633 1.00 1.00 O ATOM 986 CB GLU A 141 11.752 0.054 1.966 1.00 1.00 C ATOM 987 CG GLU A 141 12.434 1.068 1.046 1.00 1.00 C ATOM 988 CD GLU A 141 11.896 2.480 1.290 1.00 1.00 C ATOM 989 OE1 GLU A 141 10.932 2.897 0.632 1.00 1.00 O ATOM 990 OE2 GLU A 141 12.516 3.148 2.202 1.00 1.00 O ATOM 0 H GLU A 141 9.568 -0.551 3.525 1.00 1.00 H new ATOM 0 HA GLU A 141 10.035 0.641 0.851 1.00 1.00 H new ATOM 0 HB2 GLU A 141 11.840 0.381 3.002 1.00 1.00 H new ATOM 0 HB3 GLU A 141 12.258 -0.908 1.891 1.00 1.00 H new ATOM 0 HG2 GLU A 141 13.511 1.051 1.215 1.00 1.00 H new ATOM 0 HG3 GLU A 141 12.270 0.788 0.005 1.00 1.00 H new ATOM 996 N SER A 142 10.512 -1.685 -0.208 1.00 1.00 N ATOM 997 CA SER A 142 10.336 -2.950 -0.899 1.00 1.00 C ATOM 998 C SER A 142 11.340 -3.978 -0.373 1.00 1.00 C ATOM 999 O SER A 142 12.473 -4.043 -0.846 1.00 1.00 O ATOM 1000 CB SER A 142 10.495 -2.780 -2.412 1.00 1.00 C ATOM 1001 OG SER A 142 10.982 -1.485 -2.754 1.00 1.00 O ATOM 0 H SER A 142 11.041 -0.985 -0.728 1.00 1.00 H new ATOM 0 HA SER A 142 9.324 -3.306 -0.705 1.00 1.00 H new ATOM 0 HB2 SER A 142 11.180 -3.537 -2.792 1.00 1.00 H new ATOM 0 HB3 SER A 142 9.534 -2.947 -2.899 1.00 1.00 H new ATOM 0 HG SER A 142 11.072 -1.416 -3.727 1.00 1.00 H new ATOM 1006 N GLY A 143 10.888 -4.757 0.599 1.00 1.00 N ATOM 1007 CA GLY A 143 11.732 -5.778 1.196 1.00 1.00 C ATOM 1008 C GLY A 143 11.965 -5.497 2.681 1.00 1.00 C ATOM 1009 O GLY A 143 12.556 -6.315 3.385 1.00 1.00 O ATOM 0 H GLY A 143 9.947 -4.701 0.988 1.00 1.00 H new ATOM 0 HA2 GLY A 143 11.266 -6.756 1.076 1.00 1.00 H new ATOM 0 HA3 GLY A 143 12.689 -5.815 0.675 1.00 1.00 H new ATOM 1013 N GLN A 144 11.489 -4.339 3.114 1.00 1.00 N ATOM 1014 CA GLN A 144 11.639 -3.941 4.503 1.00 1.00 C ATOM 1015 C GLN A 144 10.586 -4.633 5.370 1.00 1.00 C ATOM 1016 O GLN A 144 9.498 -4.953 4.895 1.00 1.00 O ATOM 1017 CB GLN A 144 11.556 -2.420 4.649 1.00 1.00 C ATOM 1018 CG GLN A 144 12.705 -1.888 5.510 1.00 1.00 C ATOM 1019 CD GLN A 144 13.387 -0.696 4.837 1.00 1.00 C ATOM 1020 OE1 GLN A 144 14.320 -0.836 4.063 1.00 1.00 O ATOM 1021 NE2 GLN A 144 12.873 0.483 5.176 1.00 1.00 N ATOM 0 H GLN A 144 10.999 -3.664 2.527 1.00 1.00 H new ATOM 0 HA GLN A 144 12.626 -4.253 4.846 1.00 1.00 H new ATOM 0 HB2 GLN A 144 11.589 -1.954 3.664 1.00 1.00 H new ATOM 0 HB3 GLN A 144 10.602 -2.146 5.099 1.00 1.00 H new ATOM 0 HG2 GLN A 144 12.324 -1.590 6.487 1.00 1.00 H new ATOM 0 HG3 GLN A 144 13.434 -2.680 5.680 1.00 1.00 H new ATOM 0 HE21 GLN A 144 12.092 0.530 5.830 1.00 1.00 H new ATOM 0 HE22 GLN A 144 13.260 1.340 4.782 1.00 1.00 H new ATOM 1028 N PRO A 145 10.956 -4.849 6.661 1.00 1.00 N ATOM 1029 CA PRO A 145 10.056 -5.498 7.599 1.00 1.00 C ATOM 1030 C PRO A 145 8.944 -4.544 8.041 1.00 1.00 C ATOM 1031 O PRO A 145 9.084 -3.327 7.925 1.00 1.00 O ATOM 1032 CB PRO A 145 10.943 -5.949 8.747 1.00 1.00 C ATOM 1033 CG PRO A 145 12.221 -5.135 8.633 1.00 1.00 C ATOM 1034 CD PRO A 145 12.237 -4.484 7.260 1.00 1.00 C ATOM 0 HA PRO A 145 9.532 -6.348 7.161 1.00 1.00 H new ATOM 0 HB2 PRO A 145 10.456 -5.778 9.707 1.00 1.00 H new ATOM 0 HB3 PRO A 145 11.153 -7.017 8.682 1.00 1.00 H new ATOM 0 HG2 PRO A 145 12.262 -4.377 9.415 1.00 1.00 H new ATOM 0 HG3 PRO A 145 13.094 -5.775 8.763 1.00 1.00 H new ATOM 0 HD2 PRO A 145 12.344 -3.402 7.336 1.00 1.00 H new ATOM 0 HD3 PRO A 145 13.072 -4.846 6.660 1.00 1.00 H new ATOM 1039 N VAL A 146 7.867 -5.131 8.540 1.00 1.00 N ATOM 1040 CA VAL A 146 6.732 -4.349 9.000 1.00 1.00 C ATOM 1041 C VAL A 146 6.188 -4.960 10.293 1.00 1.00 C ATOM 1042 O VAL A 146 6.398 -6.141 10.562 1.00 1.00 O ATOM 1043 CB VAL A 146 5.680 -4.253 7.894 1.00 1.00 C ATOM 1044 CG1 VAL A 146 6.319 -3.858 6.561 1.00 1.00 C ATOM 1045 CG2 VAL A 146 4.901 -5.563 7.763 1.00 1.00 C ATOM 0 H VAL A 146 7.756 -6.140 8.636 1.00 1.00 H new ATOM 0 HA VAL A 146 7.038 -3.328 9.227 1.00 1.00 H new ATOM 0 HB VAL A 146 4.974 -3.470 8.171 1.00 1.00 H new ATOM 0 HG11 VAL A 146 5.549 -3.797 5.792 1.00 1.00 H new ATOM 0 HG12 VAL A 146 6.806 -2.888 6.664 1.00 1.00 H new ATOM 0 HG13 VAL A 146 7.058 -4.607 6.276 1.00 1.00 H new ATOM 0 HG21 VAL A 146 4.160 -5.468 6.970 1.00 1.00 H new ATOM 0 HG22 VAL A 146 5.589 -6.373 7.521 1.00 1.00 H new ATOM 0 HG23 VAL A 146 4.398 -5.783 8.705 1.00 1.00 H new ATOM 1055 N GLU A 147 5.498 -4.127 11.059 1.00 1.00 N ATOM 1056 CA GLU A 147 4.921 -4.570 12.316 1.00 1.00 C ATOM 1057 C GLU A 147 3.445 -4.177 12.392 1.00 1.00 C ATOM 1058 O GLU A 147 3.019 -3.226 11.738 1.00 1.00 O ATOM 1059 CB GLU A 147 5.701 -4.005 13.506 1.00 1.00 C ATOM 1060 CG GLU A 147 6.176 -5.127 14.432 1.00 1.00 C ATOM 1061 CD GLU A 147 7.505 -5.710 13.949 1.00 1.00 C ATOM 1062 OE1 GLU A 147 8.264 -5.025 13.247 1.00 1.00 O ATOM 1063 OE2 GLU A 147 7.739 -6.920 14.329 1.00 1.00 O ATOM 0 H GLU A 147 5.326 -3.147 10.833 1.00 1.00 H new ATOM 0 HA GLU A 147 4.989 -5.657 12.361 1.00 1.00 H new ATOM 0 HB2 GLU A 147 6.559 -3.437 13.146 1.00 1.00 H new ATOM 0 HB3 GLU A 147 5.071 -3.311 14.063 1.00 1.00 H new ATOM 0 HG2 GLU A 147 6.290 -4.743 15.446 1.00 1.00 H new ATOM 0 HG3 GLU A 147 5.423 -5.914 14.472 1.00 1.00 H new ATOM 1069 N PHE A 148 2.706 -4.927 13.194 1.00 1.00 N ATOM 1070 CA PHE A 148 1.286 -4.669 13.363 1.00 1.00 C ATOM 1071 C PHE A 148 1.049 -3.285 13.971 1.00 1.00 C ATOM 1072 O PHE A 148 1.729 -2.893 14.917 1.00 1.00 O ATOM 1073 CB PHE A 148 0.749 -5.733 14.322 1.00 1.00 C ATOM 1074 CG PHE A 148 -0.674 -5.463 14.817 1.00 1.00 C ATOM 1075 CD1 PHE A 148 -0.889 -4.563 15.814 1.00 1.00 C ATOM 1076 CD2 PHE A 148 -1.725 -6.124 14.260 1.00 1.00 C ATOM 1077 CE1 PHE A 148 -2.210 -4.313 16.272 1.00 1.00 C ATOM 1078 CE2 PHE A 148 -3.044 -5.874 14.718 1.00 1.00 C ATOM 1079 CZ PHE A 148 -3.259 -4.975 15.715 1.00 1.00 C ATOM 0 H PHE A 148 3.064 -5.714 13.735 1.00 1.00 H new ATOM 0 HA PHE A 148 0.784 -4.702 12.396 1.00 1.00 H new ATOM 0 HB2 PHE A 148 0.772 -6.702 13.823 1.00 1.00 H new ATOM 0 HB3 PHE A 148 1.415 -5.802 15.182 1.00 1.00 H new ATOM 0 HD1 PHE A 148 -0.055 -4.039 16.257 1.00 1.00 H new ATOM 0 HD2 PHE A 148 -1.555 -6.839 13.469 1.00 1.00 H new ATOM 0 HE1 PHE A 148 -2.381 -3.597 17.062 1.00 1.00 H new ATOM 0 HE2 PHE A 148 -3.878 -6.398 14.275 1.00 1.00 H new ATOM 0 HZ PHE A 148 -4.263 -4.787 16.065 1.00 1.00 H new ATOM 1088 N ASP A 149 0.082 -2.581 13.400 1.00 1.00 N ATOM 1089 CA ASP A 149 -0.254 -1.249 13.873 1.00 1.00 C ATOM 1090 C ASP A 149 0.680 -0.230 13.219 1.00 1.00 C ATOM 1091 O ASP A 149 0.493 0.976 13.370 1.00 1.00 O ATOM 1092 CB ASP A 149 -0.079 -1.143 15.390 1.00 1.00 C ATOM 1093 CG ASP A 149 -0.919 -0.056 16.063 1.00 1.00 C ATOM 1094 OD1 ASP A 149 -0.971 1.092 15.595 1.00 1.00 O ATOM 1095 OD2 ASP A 149 -1.547 -0.431 17.125 1.00 1.00 O ATOM 0 H ASP A 149 -0.479 -2.908 12.614 1.00 1.00 H new ATOM 0 HA ASP A 149 -1.294 -1.052 13.614 1.00 1.00 H new ATOM 0 HB2 ASP A 149 -0.330 -2.105 15.838 1.00 1.00 H new ATOM 0 HB3 ASP A 149 0.973 -0.955 15.607 1.00 1.00 H new ATOM 1100 N GLU A 150 1.666 -0.751 12.504 1.00 1.00 N ATOM 1101 CA GLU A 150 2.630 0.098 11.825 1.00 1.00 C ATOM 1102 C GLU A 150 2.095 0.516 10.454 1.00 1.00 C ATOM 1103 O GLU A 150 1.353 -0.232 9.819 1.00 1.00 O ATOM 1104 CB GLU A 150 3.983 -0.605 11.695 1.00 1.00 C ATOM 1105 CG GLU A 150 4.428 -1.190 13.037 1.00 1.00 C ATOM 1106 CD GLU A 150 4.568 -0.092 14.094 1.00 1.00 C ATOM 1107 OE1 GLU A 150 3.643 0.122 14.891 1.00 1.00 O ATOM 1108 OE2 GLU A 150 5.688 0.548 14.070 1.00 1.00 O ATOM 0 H GLU A 150 1.818 -1.752 12.380 1.00 1.00 H new ATOM 0 HA GLU A 150 2.780 0.996 12.424 1.00 1.00 H new ATOM 0 HB2 GLU A 150 3.914 -1.400 10.953 1.00 1.00 H new ATOM 0 HB3 GLU A 150 4.731 0.102 11.336 1.00 1.00 H new ATOM 0 HG2 GLU A 150 3.704 -1.932 13.372 1.00 1.00 H new ATOM 0 HG3 GLU A 150 5.380 -1.706 12.915 1.00 1.00 H new ATOM 1114 N PRO A 151 2.505 1.740 10.026 1.00 1.00 N ATOM 1115 CA PRO A 151 2.076 2.267 8.742 1.00 1.00 C ATOM 1116 C PRO A 151 2.815 1.580 7.593 1.00 1.00 C ATOM 1117 O PRO A 151 3.849 0.947 7.805 1.00 1.00 O ATOM 1118 CB PRO A 151 2.350 3.760 8.817 1.00 1.00 C ATOM 1119 CG PRO A 151 3.346 3.944 9.951 1.00 1.00 C ATOM 1120 CD PRO A 151 3.385 2.653 10.752 1.00 1.00 C ATOM 0 HA PRO A 151 1.021 2.080 8.542 1.00 1.00 H new ATOM 0 HB2 PRO A 151 2.757 4.130 7.876 1.00 1.00 H new ATOM 0 HB3 PRO A 151 1.433 4.316 9.009 1.00 1.00 H new ATOM 0 HG2 PRO A 151 4.335 4.178 9.556 1.00 1.00 H new ATOM 0 HG3 PRO A 151 3.051 4.779 10.587 1.00 1.00 H new ATOM 0 HD2 PRO A 151 4.399 2.258 10.817 1.00 1.00 H new ATOM 0 HD3 PRO A 151 3.038 2.810 11.773 1.00 1.00 H new ATOM 1125 N LEU A 152 2.258 1.728 6.400 1.00 1.00 N ATOM 1126 CA LEU A 152 2.851 1.130 5.217 1.00 1.00 C ATOM 1127 C LEU A 152 3.018 2.202 4.137 1.00 1.00 C ATOM 1128 O LEU A 152 4.108 2.745 3.961 1.00 1.00 O ATOM 1129 CB LEU A 152 2.035 -0.081 4.760 1.00 1.00 C ATOM 1130 CG LEU A 152 2.109 -1.317 5.658 1.00 1.00 C ATOM 1131 CD1 LEU A 152 1.403 -2.510 5.009 1.00 1.00 C ATOM 1132 CD2 LEU A 152 3.559 -1.640 6.027 1.00 1.00 C ATOM 0 H LEU A 152 1.401 2.254 6.228 1.00 1.00 H new ATOM 0 HA LEU A 152 3.846 0.747 5.443 1.00 1.00 H new ATOM 0 HB2 LEU A 152 0.991 0.220 4.676 1.00 1.00 H new ATOM 0 HB3 LEU A 152 2.367 -0.362 3.761 1.00 1.00 H new ATOM 0 HG LEU A 152 1.581 -1.097 6.586 1.00 1.00 H new ATOM 0 HD11 LEU A 152 1.470 -3.375 5.668 1.00 1.00 H new ATOM 0 HD12 LEU A 152 0.355 -2.264 4.839 1.00 1.00 H new ATOM 0 HD13 LEU A 152 1.880 -2.741 4.057 1.00 1.00 H new ATOM 0 HD21 LEU A 152 3.584 -2.523 6.666 1.00 1.00 H new ATOM 0 HD22 LEU A 152 4.131 -1.833 5.119 1.00 1.00 H new ATOM 0 HD23 LEU A 152 3.996 -0.795 6.559 1.00 1.00 H new ATOM 1143 N VAL A 153 1.922 2.473 3.444 1.00 1.00 N ATOM 1144 CA VAL A 153 1.933 3.470 2.387 1.00 1.00 C ATOM 1145 C VAL A 153 0.746 4.418 2.574 1.00 1.00 C ATOM 1146 O VAL A 153 -0.348 3.985 2.931 1.00 1.00 O ATOM 1147 CB VAL A 153 1.940 2.783 1.020 1.00 1.00 C ATOM 1148 CG1 VAL A 153 2.301 3.774 -0.089 1.00 1.00 C ATOM 1149 CG2 VAL A 153 2.889 1.584 1.014 1.00 1.00 C ATOM 0 H VAL A 153 1.021 2.020 3.594 1.00 1.00 H new ATOM 0 HA VAL A 153 2.841 4.071 2.438 1.00 1.00 H new ATOM 0 HB VAL A 153 0.933 2.414 0.825 1.00 1.00 H new ATOM 0 HG11 VAL A 153 2.299 3.261 -1.051 1.00 1.00 H new ATOM 0 HG12 VAL A 153 1.569 4.582 -0.107 1.00 1.00 H new ATOM 0 HG13 VAL A 153 3.292 4.186 0.100 1.00 1.00 H new ATOM 0 HG21 VAL A 153 2.875 1.114 0.031 1.00 1.00 H new ATOM 0 HG22 VAL A 153 3.901 1.920 1.241 1.00 1.00 H new ATOM 0 HG23 VAL A 153 2.569 0.863 1.766 1.00 1.00 H new ATOM 1159 N VAL A 154 1.004 5.693 2.325 1.00 1.00 N ATOM 1160 CA VAL A 154 -0.029 6.706 2.461 1.00 1.00 C ATOM 1161 C VAL A 154 -0.588 7.048 1.078 1.00 1.00 C ATOM 1162 O VAL A 154 0.170 7.309 0.145 1.00 1.00 O ATOM 1163 CB VAL A 154 0.527 7.926 3.198 1.00 1.00 C ATOM 1164 CG1 VAL A 154 -0.604 8.816 3.717 1.00 1.00 C ATOM 1165 CG2 VAL A 154 1.456 7.501 4.338 1.00 1.00 C ATOM 0 H VAL A 154 1.913 6.048 2.030 1.00 1.00 H new ATOM 0 HA VAL A 154 -0.856 6.328 3.062 1.00 1.00 H new ATOM 0 HB VAL A 154 1.113 8.509 2.487 1.00 1.00 H new ATOM 0 HG11 VAL A 154 -0.181 9.676 4.237 1.00 1.00 H new ATOM 0 HG12 VAL A 154 -1.210 9.161 2.879 1.00 1.00 H new ATOM 0 HG13 VAL A 154 -1.228 8.247 4.406 1.00 1.00 H new ATOM 0 HG21 VAL A 154 1.838 8.387 4.846 1.00 1.00 H new ATOM 0 HG22 VAL A 154 0.903 6.886 5.048 1.00 1.00 H new ATOM 0 HG23 VAL A 154 2.290 6.927 3.933 1.00 1.00 H new ATOM 1175 N ILE A 155 -1.910 7.035 0.990 1.00 1.00 N ATOM 1176 CA ILE A 155 -2.579 7.340 -0.264 1.00 1.00 C ATOM 1177 C ILE A 155 -3.430 8.600 -0.089 1.00 1.00 C ATOM 1178 O ILE A 155 -3.703 9.017 1.035 1.00 1.00 O ATOM 1179 CB ILE A 155 -3.369 6.127 -0.759 1.00 1.00 C ATOM 1180 CG1 ILE A 155 -2.451 5.122 -1.456 1.00 1.00 C ATOM 1181 CG2 ILE A 155 -4.533 6.559 -1.654 1.00 1.00 C ATOM 1182 CD1 ILE A 155 -3.102 3.738 -1.520 1.00 1.00 C ATOM 0 H ILE A 155 -2.536 6.818 1.766 1.00 1.00 H new ATOM 0 HA ILE A 155 -1.848 7.554 -1.044 1.00 1.00 H new ATOM 0 HB ILE A 155 -3.799 5.623 0.106 1.00 1.00 H new ATOM 0 HG12 ILE A 155 -2.225 5.469 -2.464 1.00 1.00 H new ATOM 0 HG13 ILE A 155 -1.503 5.058 -0.921 1.00 1.00 H new ATOM 0 HG21 ILE A 155 -5.078 5.678 -1.992 1.00 1.00 H new ATOM 0 HG22 ILE A 155 -5.204 7.207 -1.090 1.00 1.00 H new ATOM 0 HG23 ILE A 155 -4.147 7.100 -2.518 1.00 1.00 H new ATOM 0 HD11 ILE A 155 -2.429 3.042 -2.020 1.00 1.00 H new ATOM 0 HD12 ILE A 155 -3.304 3.384 -0.509 1.00 1.00 H new ATOM 0 HD13 ILE A 155 -4.037 3.801 -2.076 1.00 1.00 H new ATOM 1193 N GLU A 156 -3.826 9.168 -1.218 1.00 1.00 N ATOM 1194 CA GLU A 156 -4.640 10.371 -1.204 1.00 1.00 C ATOM 1195 C GLU A 156 -6.014 10.090 -1.818 1.00 1.00 C ATOM 1196 O GLU A 156 -7.021 10.636 -1.371 1.00 1.00 O ATOM 1197 CB GLU A 156 -3.938 11.518 -1.935 1.00 1.00 C ATOM 1198 CG GLU A 156 -4.916 12.654 -2.241 1.00 1.00 C ATOM 1199 CD GLU A 156 -4.330 14.007 -1.831 1.00 1.00 C ATOM 1200 OE1 GLU A 156 -4.744 14.578 -0.811 1.00 1.00 O ATOM 1201 OE2 GLU A 156 -3.414 14.464 -2.615 1.00 1.00 O ATOM 0 H GLU A 156 -3.598 8.818 -2.148 1.00 1.00 H new ATOM 0 HA GLU A 156 -4.782 10.677 -0.168 1.00 1.00 H new ATOM 0 HB2 GLU A 156 -3.117 11.895 -1.325 1.00 1.00 H new ATOM 0 HB3 GLU A 156 -3.502 11.149 -2.863 1.00 1.00 H new ATOM 0 HG2 GLU A 156 -5.148 12.662 -3.306 1.00 1.00 H new ATOM 0 HG3 GLU A 156 -5.854 12.484 -1.712 1.00 1.00 H new