USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 453 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 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 141:sc= 1.18 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 88:sc= 0.157 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0096 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.137 USER MOD Single : A 43 GLN : amide:sc= 0.468 K(o=0.47,f=-4.8!) USER MOD Single : A 49 HIS : no HE2:sc= -0.343 K(o=-0.34,f=-1.2) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 143:sc= 0.0431 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -4.46! C(o=-4.5!,f=-7.6!) USER MOD ----------------------------------------------------------------- ATOM 118 N ARG A 11 2.670 -7.299 2.997 1.00 0.00 N ATOM 119 CA ARG A 11 1.281 -6.858 3.040 1.00 0.00 C ATOM 120 C ARG A 11 0.913 -6.093 1.772 1.00 0.00 C ATOM 121 O ARG A 11 1.379 -4.975 1.552 1.00 0.00 O ATOM 122 CB ARG A 11 1.042 -5.976 4.268 1.00 0.00 C ATOM 123 CG ARG A 11 0.549 -6.745 5.483 1.00 0.00 C ATOM 124 CD ARG A 11 -0.971 -6.800 5.528 1.00 0.00 C ATOM 125 NE ARG A 11 -1.464 -7.228 6.834 1.00 0.00 N ATOM 126 CZ ARG A 11 -1.368 -8.474 7.283 1.00 0.00 C ATOM 127 NH1 ARG A 11 -0.798 -9.410 6.536 1.00 0.00 N ATOM 128 NH2 ARG A 11 -1.840 -8.787 8.483 1.00 0.00 N ATOM 0 HA ARG A 11 0.647 -7.742 3.106 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.970 -5.465 4.524 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.313 -5.206 4.016 1.00 0.00 H new ATOM 0 HG2 ARG A 11 0.950 -7.758 5.461 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.924 -6.273 6.391 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.377 -5.816 5.292 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -1.332 -7.486 4.762 1.00 0.00 H new ATOM 0 HE ARG A 11 -1.906 -6.532 7.434 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.432 -9.174 5.614 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.726 -10.366 6.884 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.277 -8.070 9.062 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.766 -9.745 8.826 1.00 0.00 H new ATOM 142 N ARG A 12 0.075 -6.704 0.941 1.00 0.00 N ATOM 143 CA ARG A 12 -0.355 -6.081 -0.305 1.00 0.00 C ATOM 144 C ARG A 12 -1.714 -5.410 -0.138 1.00 0.00 C ATOM 145 O ARG A 12 -2.625 -5.972 0.471 1.00 0.00 O ATOM 146 CB ARG A 12 -0.422 -7.123 -1.424 1.00 0.00 C ATOM 147 CG ARG A 12 0.887 -7.292 -2.178 1.00 0.00 C ATOM 148 CD ARG A 12 0.695 -8.101 -3.451 1.00 0.00 C ATOM 149 NE ARG A 12 1.953 -8.304 -4.165 1.00 0.00 N ATOM 150 CZ ARG A 12 2.138 -9.259 -5.070 1.00 0.00 C ATOM 151 NH1 ARG A 12 1.152 -10.093 -5.370 1.00 0.00 N ATOM 152 NH2 ARG A 12 3.312 -9.381 -5.677 1.00 0.00 N ATOM 0 H ARG A 12 -0.320 -7.630 1.108 1.00 0.00 H new ATOM 0 HA ARG A 12 0.376 -5.318 -0.571 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -0.713 -8.083 -0.998 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -1.203 -6.837 -2.129 1.00 0.00 H new ATOM 0 HG2 ARG A 12 1.295 -6.312 -2.426 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.616 -7.787 -1.537 1.00 0.00 H new ATOM 0 HD2 ARG A 12 0.258 -9.069 -3.203 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -0.013 -7.589 -4.103 1.00 0.00 H new ATOM 0 HE ARG A 12 2.732 -7.679 -3.958 1.00 0.00 H new ATOM 0 HH11 ARG A 12 0.248 -10.002 -4.906 1.00 0.00 H new ATOM 0 HH12 ARG A 12 1.297 -10.825 -6.065 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.073 -8.741 -5.449 1.00 0.00 H new ATOM 0 HH22 ARG A 12 3.453 -10.114 -6.372 1.00 0.00 H new ATOM 166 N VAL A 13 -1.845 -4.205 -0.683 1.00 0.00 N ATOM 167 CA VAL A 13 -3.094 -3.457 -0.595 1.00 0.00 C ATOM 168 C VAL A 13 -3.358 -2.676 -1.877 1.00 0.00 C ATOM 169 O VAL A 13 -2.430 -2.312 -2.598 1.00 0.00 O ATOM 170 CB VAL A 13 -3.080 -2.480 0.595 1.00 0.00 C ATOM 171 CG1 VAL A 13 -2.825 -3.226 1.896 1.00 0.00 C ATOM 172 CG2 VAL A 13 -2.037 -1.394 0.381 1.00 0.00 C ATOM 0 H VAL A 13 -1.101 -3.725 -1.190 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.890 -4.186 -0.447 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.058 -2.004 0.663 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.819 -2.519 2.726 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.613 -3.963 2.053 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.861 -3.731 1.843 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.041 -0.713 1.232 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.051 -1.850 0.286 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.270 -0.840 -0.528 1.00 0.00 H new ATOM 182 N LYS A 14 -4.632 -2.421 -2.155 1.00 0.00 N ATOM 183 CA LYS A 14 -5.020 -1.681 -3.350 1.00 0.00 C ATOM 184 C LYS A 14 -5.818 -0.433 -2.981 1.00 0.00 C ATOM 185 O LYS A 14 -6.575 -0.431 -2.010 1.00 0.00 O ATOM 186 CB LYS A 14 -5.847 -2.570 -4.280 1.00 0.00 C ATOM 187 CG LYS A 14 -6.163 -1.925 -5.619 1.00 0.00 C ATOM 188 CD LYS A 14 -7.428 -2.501 -6.231 1.00 0.00 C ATOM 189 CE LYS A 14 -7.391 -2.438 -7.750 1.00 0.00 C ATOM 190 NZ LYS A 14 -8.669 -2.903 -8.356 1.00 0.00 N ATOM 0 H LYS A 14 -5.413 -2.716 -1.569 1.00 0.00 H new ATOM 0 HA LYS A 14 -4.111 -1.372 -3.866 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.307 -3.501 -4.453 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.781 -2.831 -3.783 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.279 -0.849 -5.487 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.327 -2.074 -6.302 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.549 -3.536 -5.912 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.294 -1.951 -5.864 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.191 -1.414 -8.066 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.570 -3.052 -8.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.603 -2.845 -9.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.848 -3.888 -8.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.450 -2.301 -8.024 1.00 0.00 H new ATOM 204 N THR A 15 -5.645 0.628 -3.764 1.00 0.00 N ATOM 205 CA THR A 15 -6.349 1.880 -3.521 1.00 0.00 C ATOM 206 C THR A 15 -7.756 1.843 -4.105 1.00 0.00 C ATOM 207 O THR A 15 -7.953 2.107 -5.292 1.00 0.00 O ATOM 208 CB THR A 15 -5.588 3.078 -4.120 1.00 0.00 C ATOM 209 OG1 THR A 15 -5.315 2.840 -5.506 1.00 0.00 O ATOM 210 CG2 THR A 15 -4.283 3.318 -3.375 1.00 0.00 C ATOM 0 H THR A 15 -5.023 0.644 -4.572 1.00 0.00 H new ATOM 0 HA THR A 15 -6.411 2.002 -2.440 1.00 0.00 H new ATOM 0 HB THR A 15 -6.213 3.965 -4.019 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.428 3.673 -6.010 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.763 4.169 -3.816 1.00 0.00 H new ATOM 0 HG22 THR A 15 -4.496 3.526 -2.326 1.00 0.00 H new ATOM 0 HG23 THR A 15 -3.654 2.431 -3.448 1.00 0.00 H new ATOM 218 N ILE A 16 -8.732 1.514 -3.265 1.00 0.00 N ATOM 219 CA ILE A 16 -10.122 1.444 -3.698 1.00 0.00 C ATOM 220 C ILE A 16 -10.714 2.838 -3.874 1.00 0.00 C ATOM 221 O ILE A 16 -11.825 2.994 -4.381 1.00 0.00 O ATOM 222 CB ILE A 16 -10.985 0.654 -2.697 1.00 0.00 C ATOM 223 CG1 ILE A 16 -10.703 1.122 -1.267 1.00 0.00 C ATOM 224 CG2 ILE A 16 -10.723 -0.838 -2.834 1.00 0.00 C ATOM 225 CD1 ILE A 16 -11.729 0.645 -0.263 1.00 0.00 C ATOM 0 H ILE A 16 -8.585 1.292 -2.280 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.128 0.926 -4.657 1.00 0.00 H new ATOM 0 HB ILE A 16 -12.036 0.840 -2.919 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -9.718 0.767 -0.965 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -10.668 2.211 -1.250 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -11.340 -1.383 -2.120 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.969 -1.159 -3.846 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -9.671 -1.043 -2.634 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -11.466 1.014 0.729 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -12.713 1.022 -0.541 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -11.748 -0.445 -0.252 1.00 0.00 H new ATOM 237 N TYR A 17 -9.964 3.850 -3.452 1.00 0.00 N ATOM 238 CA TYR A 17 -10.414 5.233 -3.562 1.00 0.00 C ATOM 239 C TYR A 17 -9.279 6.140 -4.030 1.00 0.00 C ATOM 240 O TYR A 17 -8.103 5.808 -3.880 1.00 0.00 O ATOM 241 CB TYR A 17 -10.953 5.725 -2.218 1.00 0.00 C ATOM 242 CG TYR A 17 -12.189 4.987 -1.756 1.00 0.00 C ATOM 243 CD1 TYR A 17 -13.297 4.861 -2.584 1.00 0.00 C ATOM 244 CD2 TYR A 17 -12.250 4.417 -0.490 1.00 0.00 C ATOM 245 CE1 TYR A 17 -14.430 4.188 -2.165 1.00 0.00 C ATOM 246 CE2 TYR A 17 -13.376 3.741 -0.063 1.00 0.00 C ATOM 247 CZ TYR A 17 -14.464 3.630 -0.905 1.00 0.00 C ATOM 248 OH TYR A 17 -15.589 2.958 -0.483 1.00 0.00 O ATOM 0 H TYR A 17 -9.042 3.739 -3.031 1.00 0.00 H new ATOM 0 HA TYR A 17 -11.213 5.270 -4.302 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -10.174 5.620 -1.463 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -11.182 6.788 -2.295 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -13.273 5.296 -3.572 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -11.401 4.504 0.172 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -15.283 4.100 -2.821 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -13.405 3.302 0.923 1.00 0.00 H new ATOM 0 HH TYR A 17 -15.449 2.625 0.428 1.00 0.00 H new ATOM 258 N ASP A 18 -9.642 7.286 -4.595 1.00 0.00 N ATOM 259 CA ASP A 18 -8.656 8.244 -5.084 1.00 0.00 C ATOM 260 C ASP A 18 -8.170 9.147 -3.955 1.00 0.00 C ATOM 261 O ASP A 18 -8.951 9.556 -3.095 1.00 0.00 O ATOM 262 CB ASP A 18 -9.250 9.089 -6.212 1.00 0.00 C ATOM 263 CG ASP A 18 -10.132 8.278 -7.140 1.00 0.00 C ATOM 264 OD1 ASP A 18 -11.288 7.993 -6.764 1.00 0.00 O ATOM 265 OD2 ASP A 18 -9.667 7.930 -8.245 1.00 0.00 O ATOM 0 H ASP A 18 -10.611 7.575 -4.726 1.00 0.00 H new ATOM 0 HA ASP A 18 -7.803 7.686 -5.470 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -9.832 9.905 -5.783 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -8.442 9.542 -6.787 1.00 0.00 H new ATOM 270 N CYS A 19 -6.877 9.452 -3.964 1.00 0.00 N ATOM 271 CA CYS A 19 -6.287 10.305 -2.939 1.00 0.00 C ATOM 272 C CYS A 19 -5.187 11.183 -3.530 1.00 0.00 C ATOM 273 O CYS A 19 -4.276 10.689 -4.194 1.00 0.00 O ATOM 274 CB CYS A 19 -5.720 9.455 -1.802 1.00 0.00 C ATOM 275 SG CYS A 19 -5.747 10.269 -0.187 1.00 0.00 S ATOM 0 H CYS A 19 -6.218 9.122 -4.669 1.00 0.00 H new ATOM 0 HA CYS A 19 -7.071 10.951 -2.544 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -6.288 8.527 -1.739 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -4.692 9.184 -2.043 1.00 0.00 H new ATOM 0 HG CYS A 19 -6.890 10.048 0.391 1.00 0.00 H new ATOM 281 N GLN A 20 -5.281 12.485 -3.285 1.00 0.00 N ATOM 282 CA GLN A 20 -4.296 13.432 -3.795 1.00 0.00 C ATOM 283 C GLN A 20 -3.473 14.027 -2.658 1.00 0.00 C ATOM 284 O GLN A 20 -3.751 15.131 -2.189 1.00 0.00 O ATOM 285 CB GLN A 20 -4.989 14.549 -4.578 1.00 0.00 C ATOM 286 CG GLN A 20 -4.044 15.654 -5.025 1.00 0.00 C ATOM 287 CD GLN A 20 -4.527 16.364 -6.274 1.00 0.00 C ATOM 288 OE1 GLN A 20 -5.184 17.403 -6.197 1.00 0.00 O ATOM 289 NE2 GLN A 20 -4.205 15.807 -7.435 1.00 0.00 N ATOM 0 H GLN A 20 -6.029 12.909 -2.736 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.623 12.893 -4.462 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.474 14.120 -5.455 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.775 14.982 -3.959 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -3.932 16.380 -4.219 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -3.057 15.230 -5.211 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.659 14.946 -7.453 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -4.503 16.240 -8.309 1.00 0.00 H new ATOM 298 N ALA A 21 -2.460 13.288 -2.217 1.00 0.00 N ATOM 299 CA ALA A 21 -1.596 13.744 -1.135 1.00 0.00 C ATOM 300 C ALA A 21 -1.297 15.234 -1.261 1.00 0.00 C ATOM 301 O ALA A 21 -0.858 15.702 -2.313 1.00 0.00 O ATOM 302 CB ALA A 21 -0.301 12.944 -1.121 1.00 0.00 C ATOM 0 H ALA A 21 -2.218 12.371 -2.592 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.120 13.584 -0.193 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.335 13.295 -0.308 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.527 11.888 -0.975 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.218 13.076 -2.070 1.00 0.00 H new ATOM 308 N ASP A 22 -1.538 15.974 -0.185 1.00 0.00 N ATOM 309 CA ASP A 22 -1.295 17.412 -0.176 1.00 0.00 C ATOM 310 C ASP A 22 0.169 17.713 0.125 1.00 0.00 C ATOM 311 O ASP A 22 0.752 18.636 -0.442 1.00 0.00 O ATOM 312 CB ASP A 22 -2.192 18.095 0.858 1.00 0.00 C ATOM 313 CG ASP A 22 -3.561 18.436 0.302 1.00 0.00 C ATOM 314 OD1 ASP A 22 -3.624 19.109 -0.747 1.00 0.00 O ATOM 315 OD2 ASP A 22 -4.569 18.029 0.917 1.00 0.00 O ATOM 0 H ASP A 22 -1.901 15.602 0.693 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.532 17.802 -1.166 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.307 17.442 1.723 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.708 19.007 1.209 1.00 0.00 H new ATOM 320 N ASN A 23 0.758 16.928 1.022 1.00 0.00 N ATOM 321 CA ASN A 23 2.155 17.112 1.400 1.00 0.00 C ATOM 322 C ASN A 23 3.040 16.058 0.742 1.00 0.00 C ATOM 323 O ASN A 23 2.564 14.991 0.350 1.00 0.00 O ATOM 324 CB ASN A 23 2.307 17.045 2.920 1.00 0.00 C ATOM 325 CG ASN A 23 2.135 18.401 3.579 1.00 0.00 C ATOM 326 OD1 ASN A 23 3.055 19.218 3.591 1.00 0.00 O ATOM 327 ND2 ASN A 23 0.952 18.646 4.130 1.00 0.00 N ATOM 0 H ASN A 23 0.290 16.159 1.501 1.00 0.00 H new ATOM 0 HA ASN A 23 2.473 18.095 1.053 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.571 16.351 3.326 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.291 16.646 3.167 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.778 19.541 4.587 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.218 17.939 4.096 1.00 0.00 H new ATOM 334 N ASP A 24 4.328 16.362 0.627 1.00 0.00 N ATOM 335 CA ASP A 24 5.279 15.440 0.018 1.00 0.00 C ATOM 336 C ASP A 24 5.261 14.091 0.731 1.00 0.00 C ATOM 337 O ASP A 24 5.133 13.044 0.095 1.00 0.00 O ATOM 338 CB ASP A 24 6.689 16.031 0.056 1.00 0.00 C ATOM 339 CG ASP A 24 6.995 16.879 -1.163 1.00 0.00 C ATOM 340 OD1 ASP A 24 6.508 16.537 -2.261 1.00 0.00 O ATOM 341 OD2 ASP A 24 7.720 17.884 -1.019 1.00 0.00 O ATOM 0 H ASP A 24 4.737 17.240 0.947 1.00 0.00 H new ATOM 0 HA ASP A 24 4.985 15.286 -1.020 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.801 16.638 0.954 1.00 0.00 H new ATOM 0 HB3 ASP A 24 7.417 15.223 0.124 1.00 0.00 H new ATOM 346 N ASP A 25 5.388 14.124 2.052 1.00 0.00 N ATOM 347 CA ASP A 25 5.385 12.904 2.852 1.00 0.00 C ATOM 348 C ASP A 25 4.267 11.967 2.409 1.00 0.00 C ATOM 349 O ASP A 25 4.492 10.777 2.192 1.00 0.00 O ATOM 350 CB ASP A 25 5.228 13.241 4.336 1.00 0.00 C ATOM 351 CG ASP A 25 6.440 13.957 4.898 1.00 0.00 C ATOM 352 OD1 ASP A 25 6.798 15.028 4.365 1.00 0.00 O ATOM 353 OD2 ASP A 25 7.031 13.446 5.872 1.00 0.00 O ATOM 0 H ASP A 25 5.494 14.982 2.593 1.00 0.00 H new ATOM 0 HA ASP A 25 6.339 12.398 2.702 1.00 0.00 H new ATOM 0 HB2 ASP A 25 4.345 13.865 4.472 1.00 0.00 H new ATOM 0 HB3 ASP A 25 5.059 12.323 4.898 1.00 0.00 H new ATOM 358 N GLU A 26 3.062 12.513 2.279 1.00 0.00 N ATOM 359 CA GLU A 26 1.907 11.723 1.864 1.00 0.00 C ATOM 360 C GLU A 26 2.069 11.237 0.427 1.00 0.00 C ATOM 361 O GLU A 26 2.408 12.011 -0.469 1.00 0.00 O ATOM 362 CB GLU A 26 0.624 12.548 1.993 1.00 0.00 C ATOM 363 CG GLU A 26 0.097 12.634 3.415 1.00 0.00 C ATOM 364 CD GLU A 26 -0.933 13.733 3.590 1.00 0.00 C ATOM 365 OE1 GLU A 26 -0.816 14.769 2.902 1.00 0.00 O ATOM 366 OE2 GLU A 26 -1.855 13.558 4.412 1.00 0.00 O ATOM 0 H GLU A 26 2.860 13.497 2.455 1.00 0.00 H new ATOM 0 HA GLU A 26 1.839 10.854 2.518 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.811 13.556 1.622 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.145 12.111 1.355 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.347 11.678 3.692 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.929 12.809 4.097 1.00 0.00 H new ATOM 373 N LEU A 27 1.824 9.948 0.214 1.00 0.00 N ATOM 374 CA LEU A 27 1.944 9.356 -1.114 1.00 0.00 C ATOM 375 C LEU A 27 0.750 9.731 -1.986 1.00 0.00 C ATOM 376 O LEU A 27 -0.372 9.871 -1.497 1.00 0.00 O ATOM 377 CB LEU A 27 2.055 7.834 -1.007 1.00 0.00 C ATOM 378 CG LEU A 27 2.112 7.071 -2.331 1.00 0.00 C ATOM 379 CD1 LEU A 27 3.398 7.390 -3.077 1.00 0.00 C ATOM 380 CD2 LEU A 27 1.991 5.573 -2.089 1.00 0.00 C ATOM 0 H LEU A 27 1.541 9.294 0.944 1.00 0.00 H new ATOM 0 HA LEU A 27 2.848 9.748 -1.580 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.951 7.594 -0.434 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.203 7.467 -0.435 1.00 0.00 H new ATOM 0 HG LEU A 27 1.271 7.389 -2.947 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.420 6.838 -4.016 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.443 8.459 -3.284 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.254 7.102 -2.466 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.033 5.046 -3.042 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.811 5.240 -1.453 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.042 5.359 -1.598 1.00 0.00 H new ATOM 392 N THR A 28 0.997 9.890 -3.283 1.00 0.00 N ATOM 393 CA THR A 28 -0.056 10.247 -4.224 1.00 0.00 C ATOM 394 C THR A 28 -0.505 9.035 -5.033 1.00 0.00 C ATOM 395 O THR A 28 0.283 8.445 -5.774 1.00 0.00 O ATOM 396 CB THR A 28 0.405 11.354 -5.190 1.00 0.00 C ATOM 397 OG1 THR A 28 0.876 12.485 -4.451 1.00 0.00 O ATOM 398 CG2 THR A 28 -0.731 11.779 -6.109 1.00 0.00 C ATOM 0 H THR A 28 1.919 9.777 -3.705 1.00 0.00 H new ATOM 0 HA THR A 28 -0.895 10.617 -3.634 1.00 0.00 H new ATOM 0 HB THR A 28 1.216 10.957 -5.801 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.169 13.183 -5.073 1.00 0.00 H new ATOM 0 HG21 THR A 28 -0.381 12.562 -6.782 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.067 10.922 -6.693 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.560 12.158 -5.511 1.00 0.00 H new ATOM 406 N PHE A 29 -1.774 8.669 -4.889 1.00 0.00 N ATOM 407 CA PHE A 29 -2.327 7.527 -5.608 1.00 0.00 C ATOM 408 C PHE A 29 -3.748 7.819 -6.082 1.00 0.00 C ATOM 409 O PHE A 29 -4.335 8.840 -5.724 1.00 0.00 O ATOM 410 CB PHE A 29 -2.321 6.285 -4.714 1.00 0.00 C ATOM 411 CG PHE A 29 -3.078 6.467 -3.429 1.00 0.00 C ATOM 412 CD1 PHE A 29 -4.445 6.244 -3.378 1.00 0.00 C ATOM 413 CD2 PHE A 29 -2.424 6.860 -2.274 1.00 0.00 C ATOM 414 CE1 PHE A 29 -5.144 6.411 -2.198 1.00 0.00 C ATOM 415 CE2 PHE A 29 -3.118 7.028 -1.090 1.00 0.00 C ATOM 416 CZ PHE A 29 -4.480 6.802 -1.052 1.00 0.00 C ATOM 0 H PHE A 29 -2.439 9.147 -4.281 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.702 7.341 -6.482 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.752 5.449 -5.265 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.290 6.018 -4.484 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.970 5.936 -4.270 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.359 7.038 -2.298 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -6.209 6.236 -2.172 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.596 7.336 -0.196 1.00 0.00 H new ATOM 0 HZ PHE A 29 -5.024 6.931 -0.128 1.00 0.00 H new ATOM 426 N ILE A 30 -4.292 6.916 -6.890 1.00 0.00 N ATOM 427 CA ILE A 30 -5.643 7.076 -7.414 1.00 0.00 C ATOM 428 C ILE A 30 -6.380 5.742 -7.446 1.00 0.00 C ATOM 429 O ILE A 30 -5.762 4.679 -7.421 1.00 0.00 O ATOM 430 CB ILE A 30 -5.629 7.677 -8.832 1.00 0.00 C ATOM 431 CG1 ILE A 30 -4.821 6.787 -9.779 1.00 0.00 C ATOM 432 CG2 ILE A 30 -5.057 9.086 -8.805 1.00 0.00 C ATOM 433 CD1 ILE A 30 -5.296 6.844 -11.214 1.00 0.00 C ATOM 0 H ILE A 30 -3.818 6.066 -7.196 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.164 7.760 -6.744 1.00 0.00 H new ATOM 0 HB ILE A 30 -6.654 7.729 -9.198 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.773 7.085 -9.739 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.873 5.756 -9.428 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.054 9.497 -9.815 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.670 9.715 -8.159 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.037 9.057 -8.422 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.678 6.189 -11.828 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.335 6.517 -11.267 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.218 7.867 -11.583 1.00 0.00 H new ATOM 445 N GLU A 31 -7.708 5.807 -7.504 1.00 0.00 N ATOM 446 CA GLU A 31 -8.530 4.604 -7.541 1.00 0.00 C ATOM 447 C GLU A 31 -8.066 3.662 -8.648 1.00 0.00 C ATOM 448 O GLU A 31 -8.166 3.979 -9.832 1.00 0.00 O ATOM 449 CB GLU A 31 -10.000 4.971 -7.752 1.00 0.00 C ATOM 450 CG GLU A 31 -10.933 3.771 -7.750 1.00 0.00 C ATOM 451 CD GLU A 31 -12.168 3.990 -8.602 1.00 0.00 C ATOM 452 OE1 GLU A 31 -12.033 4.028 -9.843 1.00 0.00 O ATOM 453 OE2 GLU A 31 -13.269 4.124 -8.028 1.00 0.00 O ATOM 0 H GLU A 31 -8.236 6.680 -7.526 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.424 4.093 -6.584 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.309 5.662 -6.968 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.102 5.498 -8.701 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.395 2.897 -8.115 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.237 3.553 -6.726 1.00 0.00 H new ATOM 460 N GLY A 32 -7.556 2.499 -8.253 1.00 0.00 N ATOM 461 CA GLY A 32 -7.083 1.529 -9.222 1.00 0.00 C ATOM 462 C GLY A 32 -5.572 1.419 -9.242 1.00 0.00 C ATOM 463 O GLY A 32 -4.968 1.291 -10.308 1.00 0.00 O ATOM 0 H GLY A 32 -7.462 2.212 -7.279 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.512 0.553 -8.994 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.437 1.809 -10.214 1.00 0.00 H new ATOM 467 N GLU A 33 -4.959 1.473 -8.064 1.00 0.00 N ATOM 468 CA GLU A 33 -3.508 1.382 -7.954 1.00 0.00 C ATOM 469 C GLU A 33 -3.107 0.421 -6.838 1.00 0.00 C ATOM 470 O GLU A 33 -3.806 0.292 -5.833 1.00 0.00 O ATOM 471 CB GLU A 33 -2.906 2.765 -7.692 1.00 0.00 C ATOM 472 CG GLU A 33 -3.188 3.770 -8.796 1.00 0.00 C ATOM 473 CD GLU A 33 -2.681 3.307 -10.149 1.00 0.00 C ATOM 474 OE1 GLU A 33 -1.555 2.770 -10.208 1.00 0.00 O ATOM 475 OE2 GLU A 33 -3.410 3.481 -11.148 1.00 0.00 O ATOM 0 H GLU A 33 -5.444 1.579 -7.173 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.121 0.998 -8.898 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.299 3.151 -6.752 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.827 2.665 -7.570 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.262 3.947 -8.856 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.721 4.722 -8.544 1.00 0.00 H new ATOM 482 N VAL A 34 -1.975 -0.251 -7.022 1.00 0.00 N ATOM 483 CA VAL A 34 -1.479 -1.200 -6.033 1.00 0.00 C ATOM 484 C VAL A 34 -0.367 -0.585 -5.192 1.00 0.00 C ATOM 485 O VAL A 34 0.417 0.230 -5.680 1.00 0.00 O ATOM 486 CB VAL A 34 -0.952 -2.484 -6.701 1.00 0.00 C ATOM 487 CG1 VAL A 34 -0.433 -3.457 -5.653 1.00 0.00 C ATOM 488 CG2 VAL A 34 -2.042 -3.129 -7.545 1.00 0.00 C ATOM 0 H VAL A 34 -1.384 -0.155 -7.848 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.321 -1.454 -5.389 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.123 -2.218 -7.357 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.065 -4.358 -6.144 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.378 -2.991 -5.094 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.240 -3.720 -4.969 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.654 -4.035 -8.010 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.891 -3.382 -6.911 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.363 -2.432 -8.320 1.00 0.00 H new ATOM 498 N ILE A 35 -0.302 -0.981 -3.925 1.00 0.00 N ATOM 499 CA ILE A 35 0.716 -0.470 -3.016 1.00 0.00 C ATOM 500 C ILE A 35 1.291 -1.586 -2.151 1.00 0.00 C ATOM 501 O ILE A 35 0.549 -2.365 -1.551 1.00 0.00 O ATOM 502 CB ILE A 35 0.152 0.634 -2.102 1.00 0.00 C ATOM 503 CG1 ILE A 35 -0.398 1.789 -2.939 1.00 0.00 C ATOM 504 CG2 ILE A 35 1.226 1.130 -1.146 1.00 0.00 C ATOM 505 CD1 ILE A 35 -1.253 2.755 -2.150 1.00 0.00 C ATOM 0 H ILE A 35 -0.943 -1.654 -3.505 1.00 0.00 H new ATOM 0 HA ILE A 35 1.508 -0.048 -3.635 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.665 0.216 -1.514 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.435 2.334 -3.383 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.988 1.383 -3.761 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.812 1.910 -0.507 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.574 0.302 -0.529 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.062 1.534 -1.716 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.608 3.548 -2.808 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.106 2.224 -1.728 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.662 3.190 -1.344 1.00 0.00 H new ATOM 517 N ILE A 36 2.617 -1.657 -2.090 1.00 0.00 N ATOM 518 CA ILE A 36 3.291 -2.676 -1.297 1.00 0.00 C ATOM 519 C ILE A 36 3.607 -2.162 0.104 1.00 0.00 C ATOM 520 O ILE A 36 4.479 -1.310 0.282 1.00 0.00 O ATOM 521 CB ILE A 36 4.598 -3.140 -1.968 1.00 0.00 C ATOM 522 CG1 ILE A 36 4.291 -3.886 -3.269 1.00 0.00 C ATOM 523 CG2 ILE A 36 5.397 -4.022 -1.020 1.00 0.00 C ATOM 524 CD1 ILE A 36 3.348 -5.054 -3.086 1.00 0.00 C ATOM 0 H ILE A 36 3.245 -1.020 -2.581 1.00 0.00 H new ATOM 0 HA ILE A 36 2.608 -3.523 -1.226 1.00 0.00 H new ATOM 0 HB ILE A 36 5.198 -2.262 -2.207 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.858 -3.188 -3.985 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.225 -4.247 -3.701 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.317 -4.341 -1.509 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.641 -3.460 -0.119 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.806 -4.898 -0.752 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.175 -5.536 -4.048 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.788 -5.772 -2.394 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.400 -4.697 -2.683 1.00 0.00 H new ATOM 536 N VAL A 37 2.895 -2.686 1.096 1.00 0.00 N ATOM 537 CA VAL A 37 3.101 -2.282 2.482 1.00 0.00 C ATOM 538 C VAL A 37 4.440 -2.790 3.008 1.00 0.00 C ATOM 539 O VAL A 37 4.664 -3.995 3.109 1.00 0.00 O ATOM 540 CB VAL A 37 1.974 -2.804 3.392 1.00 0.00 C ATOM 541 CG1 VAL A 37 2.207 -2.374 4.832 1.00 0.00 C ATOM 542 CG2 VAL A 37 0.620 -2.317 2.894 1.00 0.00 C ATOM 0 H VAL A 37 2.170 -3.392 0.966 1.00 0.00 H new ATOM 0 HA VAL A 37 3.096 -1.192 2.499 1.00 0.00 H new ATOM 0 HB VAL A 37 1.979 -3.893 3.359 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.400 -2.752 5.460 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.158 -2.775 5.182 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.230 -1.286 4.888 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.166 -2.695 3.548 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.602 -1.227 2.897 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.453 -2.680 1.880 1.00 0.00 H new ATOM 552 N THR A 38 5.328 -1.859 3.343 1.00 0.00 N ATOM 553 CA THR A 38 6.645 -2.210 3.859 1.00 0.00 C ATOM 554 C THR A 38 6.736 -1.949 5.358 1.00 0.00 C ATOM 555 O THR A 38 7.149 -2.817 6.125 1.00 0.00 O ATOM 556 CB THR A 38 7.758 -1.421 3.143 1.00 0.00 C ATOM 557 OG1 THR A 38 7.561 -0.016 3.333 1.00 0.00 O ATOM 558 CG2 THR A 38 7.775 -1.740 1.656 1.00 0.00 C ATOM 0 H THR A 38 5.159 -0.856 3.266 1.00 0.00 H new ATOM 0 HA THR A 38 6.785 -3.274 3.669 1.00 0.00 H new ATOM 0 HB THR A 38 8.716 -1.714 3.572 1.00 0.00 H new ATOM 0 HG1 THR A 38 8.273 0.479 2.877 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.569 -1.172 1.171 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.954 -2.806 1.515 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.815 -1.471 1.215 1.00 0.00 H new ATOM 566 N GLY A 39 6.347 -0.745 5.769 1.00 0.00 N ATOM 567 CA GLY A 39 6.393 -0.391 7.175 1.00 0.00 C ATOM 568 C GLY A 39 5.200 0.441 7.603 1.00 0.00 C ATOM 569 O GLY A 39 5.248 1.670 7.564 1.00 0.00 O ATOM 0 H GLY A 39 6.001 -0.009 5.153 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.431 -1.301 7.774 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.310 0.163 7.377 1.00 0.00 H new ATOM 573 N GLU A 40 4.127 -0.230 8.010 1.00 0.00 N ATOM 574 CA GLU A 40 2.916 0.457 8.444 1.00 0.00 C ATOM 575 C GLU A 40 3.213 1.404 9.603 1.00 0.00 C ATOM 576 O GLU A 40 3.814 1.009 10.602 1.00 0.00 O ATOM 577 CB GLU A 40 1.849 -0.558 8.860 1.00 0.00 C ATOM 578 CG GLU A 40 2.396 -1.715 9.680 1.00 0.00 C ATOM 579 CD GLU A 40 1.300 -2.553 10.308 1.00 0.00 C ATOM 580 OE1 GLU A 40 0.461 -1.982 11.037 1.00 0.00 O ATOM 581 OE2 GLU A 40 1.281 -3.779 10.073 1.00 0.00 O ATOM 0 H GLU A 40 4.072 -1.248 8.048 1.00 0.00 H new ATOM 0 HA GLU A 40 2.541 1.044 7.605 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.079 -0.047 9.437 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.367 -0.953 7.966 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.012 -2.348 9.042 1.00 0.00 H new ATOM 0 HG3 GLU A 40 3.045 -1.325 10.464 1.00 0.00 H new ATOM 588 N GLU A 41 2.789 2.655 9.462 1.00 0.00 N ATOM 589 CA GLU A 41 3.010 3.659 10.496 1.00 0.00 C ATOM 590 C GLU A 41 2.032 3.473 11.653 1.00 0.00 C ATOM 591 O GLU A 41 2.365 3.734 12.808 1.00 0.00 O ATOM 592 CB GLU A 41 2.864 5.066 9.913 1.00 0.00 C ATOM 593 CG GLU A 41 3.690 6.114 10.639 1.00 0.00 C ATOM 594 CD GLU A 41 5.179 5.954 10.400 1.00 0.00 C ATOM 595 OE1 GLU A 41 5.795 5.092 11.061 1.00 0.00 O ATOM 596 OE2 GLU A 41 5.727 6.689 9.552 1.00 0.00 O ATOM 0 H GLU A 41 2.290 2.998 8.641 1.00 0.00 H new ATOM 0 HA GLU A 41 4.024 3.534 10.875 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.157 5.047 8.863 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.814 5.357 9.946 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.378 7.106 10.313 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.489 6.052 11.709 1.00 0.00 H new ATOM 603 N ASP A 42 0.825 3.019 11.333 1.00 0.00 N ATOM 604 CA ASP A 42 -0.202 2.798 12.344 1.00 0.00 C ATOM 605 C ASP A 42 -1.277 1.847 11.827 1.00 0.00 C ATOM 606 O ASP A 42 -1.248 1.434 10.669 1.00 0.00 O ATOM 607 CB ASP A 42 -0.835 4.126 12.758 1.00 0.00 C ATOM 608 CG ASP A 42 0.152 5.049 13.446 1.00 0.00 C ATOM 609 OD1 ASP A 42 0.585 4.723 14.571 1.00 0.00 O ATOM 610 OD2 ASP A 42 0.493 6.097 12.858 1.00 0.00 O ATOM 0 H ASP A 42 0.534 2.797 10.381 1.00 0.00 H new ATOM 0 HA ASP A 42 0.272 2.344 13.214 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.239 4.623 11.876 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -1.674 3.932 13.427 1.00 0.00 H new ATOM 615 N GLN A 43 -2.222 1.503 12.696 1.00 0.00 N ATOM 616 CA GLN A 43 -3.306 0.599 12.328 1.00 0.00 C ATOM 617 C GLN A 43 -4.254 1.263 11.334 1.00 0.00 C ATOM 618 O GLN A 43 -5.143 0.614 10.784 1.00 0.00 O ATOM 619 CB GLN A 43 -4.078 0.160 13.572 1.00 0.00 C ATOM 620 CG GLN A 43 -3.262 -0.704 14.521 1.00 0.00 C ATOM 621 CD GLN A 43 -2.477 0.115 15.526 1.00 0.00 C ATOM 622 OE1 GLN A 43 -2.515 1.346 15.508 1.00 0.00 O ATOM 623 NE2 GLN A 43 -1.758 -0.565 16.412 1.00 0.00 N ATOM 0 H GLN A 43 -2.259 1.836 13.659 1.00 0.00 H new ATOM 0 HA GLN A 43 -2.868 -0.279 11.854 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -4.424 1.045 14.106 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -4.965 -0.393 13.263 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -3.929 -1.383 15.053 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -2.573 -1.321 13.944 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -1.755 -1.585 16.391 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -1.209 -0.067 17.113 1.00 0.00 H new ATOM 632 N GLU A 44 -4.057 2.558 11.109 1.00 0.00 N ATOM 633 CA GLU A 44 -4.896 3.309 10.184 1.00 0.00 C ATOM 634 C GLU A 44 -4.109 3.709 8.938 1.00 0.00 C ATOM 635 O GLU A 44 -4.598 3.581 7.816 1.00 0.00 O ATOM 636 CB GLU A 44 -5.459 4.556 10.866 1.00 0.00 C ATOM 637 CG GLU A 44 -6.493 4.249 11.938 1.00 0.00 C ATOM 638 CD GLU A 44 -7.121 5.501 12.519 1.00 0.00 C ATOM 639 OE1 GLU A 44 -6.374 6.342 13.062 1.00 0.00 O ATOM 640 OE2 GLU A 44 -8.358 5.641 12.429 1.00 0.00 O ATOM 0 H GLU A 44 -3.323 3.109 11.555 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.722 2.666 9.881 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.639 5.117 11.314 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.910 5.200 10.111 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.274 3.619 11.514 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.022 3.678 12.738 1.00 0.00 H new ATOM 647 N TRP A 45 -2.891 4.192 9.147 1.00 0.00 N ATOM 648 CA TRP A 45 -2.035 4.612 8.042 1.00 0.00 C ATOM 649 C TRP A 45 -0.905 3.613 7.819 1.00 0.00 C ATOM 650 O TRP A 45 -0.241 3.193 8.765 1.00 0.00 O ATOM 651 CB TRP A 45 -1.458 6.001 8.316 1.00 0.00 C ATOM 652 CG TRP A 45 -2.508 7.056 8.493 1.00 0.00 C ATOM 653 CD1 TRP A 45 -3.377 7.182 9.538 1.00 0.00 C ATOM 654 CD2 TRP A 45 -2.799 8.133 7.595 1.00 0.00 C ATOM 655 NE1 TRP A 45 -4.192 8.272 9.345 1.00 0.00 N ATOM 656 CE2 TRP A 45 -3.856 8.873 8.161 1.00 0.00 C ATOM 657 CE3 TRP A 45 -2.269 8.547 6.370 1.00 0.00 C ATOM 658 CZ2 TRP A 45 -4.392 10.000 7.542 1.00 0.00 C ATOM 659 CZ3 TRP A 45 -2.801 9.665 5.757 1.00 0.00 C ATOM 660 CH2 TRP A 45 -3.853 10.381 6.343 1.00 0.00 C ATOM 0 H TRP A 45 -2.473 4.303 10.071 1.00 0.00 H new ATOM 0 HA TRP A 45 -2.643 4.651 7.138 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -0.840 5.959 9.213 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -0.804 6.284 7.491 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -3.418 6.522 10.392 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -4.927 8.583 9.980 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -1.457 8.002 5.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -5.203 10.553 7.992 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -2.399 9.993 4.810 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -4.247 11.251 5.839 1.00 0.00 H new ATOM 671 N TRP A 46 -0.693 3.238 6.563 1.00 0.00 N ATOM 672 CA TRP A 46 0.358 2.288 6.215 1.00 0.00 C ATOM 673 C TRP A 46 1.378 2.923 5.278 1.00 0.00 C ATOM 674 O TRP A 46 1.141 3.999 4.726 1.00 0.00 O ATOM 675 CB TRP A 46 -0.246 1.043 5.563 1.00 0.00 C ATOM 676 CG TRP A 46 -0.733 0.030 6.556 1.00 0.00 C ATOM 677 CD1 TRP A 46 -0.689 0.129 7.917 1.00 0.00 C ATOM 678 CD2 TRP A 46 -1.337 -1.234 6.263 1.00 0.00 C ATOM 679 NE1 TRP A 46 -1.228 -0.998 8.488 1.00 0.00 N ATOM 680 CE2 TRP A 46 -1.635 -1.849 7.495 1.00 0.00 C ATOM 681 CE3 TRP A 46 -1.658 -1.906 5.080 1.00 0.00 C ATOM 682 CZ2 TRP A 46 -2.234 -3.103 7.576 1.00 0.00 C ATOM 683 CZ3 TRP A 46 -2.252 -3.151 5.162 1.00 0.00 C ATOM 684 CH2 TRP A 46 -2.536 -3.738 6.401 1.00 0.00 C ATOM 0 H TRP A 46 -1.235 3.577 5.768 1.00 0.00 H new ATOM 0 HA TRP A 46 0.868 1.997 7.133 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -1.076 1.343 4.923 1.00 0.00 H new ATOM 0 HB3 TRP A 46 0.501 0.580 4.919 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -0.289 0.970 8.464 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -1.312 -1.173 9.489 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -1.446 -1.460 4.119 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -2.453 -3.558 8.531 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -2.502 -3.681 4.254 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -3.003 -4.711 6.431 1.00 0.00 H new ATOM 695 N ILE A 47 2.512 2.254 5.102 1.00 0.00 N ATOM 696 CA ILE A 47 3.567 2.754 4.230 1.00 0.00 C ATOM 697 C ILE A 47 3.878 1.758 3.116 1.00 0.00 C ATOM 698 O ILE A 47 4.080 0.572 3.369 1.00 0.00 O ATOM 699 CB ILE A 47 4.858 3.045 5.017 1.00 0.00 C ATOM 700 CG1 ILE A 47 4.568 3.996 6.180 1.00 0.00 C ATOM 701 CG2 ILE A 47 5.918 3.632 4.098 1.00 0.00 C ATOM 702 CD1 ILE A 47 5.745 4.190 7.110 1.00 0.00 C ATOM 0 H ILE A 47 2.724 1.364 5.552 1.00 0.00 H new ATOM 0 HA ILE A 47 3.201 3.683 3.793 1.00 0.00 H new ATOM 0 HB ILE A 47 5.237 2.108 5.424 1.00 0.00 H new ATOM 0 HG12 ILE A 47 4.268 4.965 5.780 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.723 3.611 6.751 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.824 3.832 4.669 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.141 2.923 3.300 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.549 4.562 3.665 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.467 4.876 7.910 1.00 0.00 H new ATOM 0 HD12 ILE A 47 6.032 3.230 7.538 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.585 4.604 6.552 1.00 0.00 H new ATOM 714 N GLY A 48 3.915 2.251 1.882 1.00 0.00 N ATOM 715 CA GLY A 48 4.203 1.393 0.749 1.00 0.00 C ATOM 716 C GLY A 48 4.437 2.176 -0.528 1.00 0.00 C ATOM 717 O GLY A 48 3.881 3.260 -0.710 1.00 0.00 O ATOM 0 H GLY A 48 3.750 3.230 1.647 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.084 0.790 0.969 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.373 0.702 0.601 1.00 0.00 H new ATOM 721 N HIS A 49 5.261 1.629 -1.415 1.00 0.00 N ATOM 722 CA HIS A 49 5.568 2.284 -2.681 1.00 0.00 C ATOM 723 C HIS A 49 4.746 1.682 -3.817 1.00 0.00 C ATOM 724 O HIS A 49 4.587 0.464 -3.902 1.00 0.00 O ATOM 725 CB HIS A 49 7.059 2.162 -2.995 1.00 0.00 C ATOM 726 CG HIS A 49 7.592 0.771 -2.844 1.00 0.00 C ATOM 727 ND1 HIS A 49 7.330 -0.237 -3.746 1.00 0.00 N ATOM 728 CD2 HIS A 49 8.378 0.223 -1.888 1.00 0.00 C ATOM 729 CE1 HIS A 49 7.930 -1.346 -3.351 1.00 0.00 C ATOM 730 NE2 HIS A 49 8.573 -1.093 -2.225 1.00 0.00 N ATOM 0 H HIS A 49 5.729 0.733 -1.280 1.00 0.00 H new ATOM 0 HA HIS A 49 5.310 3.339 -2.588 1.00 0.00 H new ATOM 0 HB2 HIS A 49 7.236 2.501 -4.016 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.616 2.829 -2.337 1.00 0.00 H new ATOM 0 HD1 HIS A 49 6.761 -0.142 -4.588 1.00 0.00 H new ATOM 0 HD2 HIS A 49 8.778 0.728 -1.021 1.00 0.00 H new ATOM 0 HE1 HIS A 49 7.900 -2.297 -3.862 1.00 0.00 H new ATOM 739 N ILE A 50 4.226 2.543 -4.685 1.00 0.00 N ATOM 740 CA ILE A 50 3.422 2.096 -5.815 1.00 0.00 C ATOM 741 C ILE A 50 4.031 0.859 -6.468 1.00 0.00 C ATOM 742 O ILE A 50 5.080 0.936 -7.106 1.00 0.00 O ATOM 743 CB ILE A 50 3.276 3.203 -6.876 1.00 0.00 C ATOM 744 CG1 ILE A 50 2.621 4.443 -6.263 1.00 0.00 C ATOM 745 CG2 ILE A 50 2.464 2.699 -8.060 1.00 0.00 C ATOM 746 CD1 ILE A 50 1.262 4.172 -5.659 1.00 0.00 C ATOM 0 H ILE A 50 4.347 3.554 -4.627 1.00 0.00 H new ATOM 0 HA ILE A 50 2.436 1.849 -5.422 1.00 0.00 H new ATOM 0 HB ILE A 50 4.269 3.478 -7.232 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.278 4.848 -5.493 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.522 5.209 -7.032 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.370 3.493 -8.801 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.967 1.842 -8.508 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.472 2.400 -7.720 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.858 5.095 -5.244 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.590 3.796 -6.430 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.357 3.429 -4.867 1.00 0.00 H new ATOM 758 N GLU A 51 3.362 -0.279 -6.306 1.00 0.00 N ATOM 759 CA GLU A 51 3.838 -1.532 -6.880 1.00 0.00 C ATOM 760 C GLU A 51 4.531 -1.288 -8.219 1.00 0.00 C ATOM 761 O GLU A 51 3.988 -0.621 -9.098 1.00 0.00 O ATOM 762 CB GLU A 51 2.674 -2.507 -7.067 1.00 0.00 C ATOM 763 CG GLU A 51 3.108 -3.897 -7.502 1.00 0.00 C ATOM 764 CD GLU A 51 3.435 -3.970 -8.981 1.00 0.00 C ATOM 765 OE1 GLU A 51 2.564 -3.603 -9.798 1.00 0.00 O ATOM 766 OE2 GLU A 51 4.559 -4.393 -9.322 1.00 0.00 O ATOM 0 H GLU A 51 2.490 -0.359 -5.783 1.00 0.00 H new ATOM 0 HA GLU A 51 4.561 -1.967 -6.190 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.122 -2.584 -6.130 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.987 -2.101 -7.809 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.983 -4.198 -6.925 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.315 -4.609 -7.273 1.00 0.00 H new ATOM 773 N GLY A 52 5.734 -1.833 -8.363 1.00 0.00 N ATOM 774 CA GLY A 52 6.482 -1.665 -9.595 1.00 0.00 C ATOM 775 C GLY A 52 7.228 -0.345 -9.644 1.00 0.00 C ATOM 776 O GLY A 52 8.354 -0.280 -10.135 1.00 0.00 O ATOM 0 H GLY A 52 6.205 -2.388 -7.648 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.193 -2.485 -9.700 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.799 -1.725 -10.442 1.00 0.00 H new ATOM 780 N GLN A 53 6.596 0.708 -9.136 1.00 0.00 N ATOM 781 CA GLN A 53 7.206 2.033 -9.128 1.00 0.00 C ATOM 782 C GLN A 53 7.616 2.433 -7.714 1.00 0.00 C ATOM 783 O GLN A 53 6.837 3.009 -6.954 1.00 0.00 O ATOM 784 CB GLN A 53 6.238 3.068 -9.703 1.00 0.00 C ATOM 785 CG GLN A 53 5.781 2.753 -11.118 1.00 0.00 C ATOM 786 CD GLN A 53 5.423 3.996 -11.906 1.00 0.00 C ATOM 787 OE1 GLN A 53 6.285 4.629 -12.516 1.00 0.00 O ATOM 788 NE2 GLN A 53 4.144 4.356 -11.898 1.00 0.00 N ATOM 0 H GLN A 53 5.663 0.670 -8.725 1.00 0.00 H new ATOM 0 HA GLN A 53 8.100 1.998 -9.751 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.364 3.136 -9.055 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.718 4.047 -9.694 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.571 2.212 -11.639 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.916 2.092 -11.077 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.462 3.803 -11.379 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.844 5.185 -12.411 1.00 0.00 H new ATOM 797 N PRO A 54 8.870 2.123 -7.350 1.00 0.00 N ATOM 798 CA PRO A 54 9.413 2.441 -6.026 1.00 0.00 C ATOM 799 C PRO A 54 9.623 3.938 -5.831 1.00 0.00 C ATOM 800 O PRO A 54 9.480 4.454 -4.724 1.00 0.00 O ATOM 801 CB PRO A 54 10.754 1.704 -6.006 1.00 0.00 C ATOM 802 CG PRO A 54 11.140 1.582 -7.440 1.00 0.00 C ATOM 803 CD PRO A 54 9.854 1.436 -8.204 1.00 0.00 C ATOM 0 HA PRO A 54 8.737 2.143 -5.225 1.00 0.00 H new ATOM 0 HB2 PRO A 54 11.502 2.259 -5.440 1.00 0.00 H new ATOM 0 HB3 PRO A 54 10.661 0.725 -5.536 1.00 0.00 H new ATOM 0 HG2 PRO A 54 11.693 2.461 -7.771 1.00 0.00 H new ATOM 0 HG3 PRO A 54 11.788 0.720 -7.598 1.00 0.00 H new ATOM 0 HD2 PRO A 54 9.919 1.894 -9.191 1.00 0.00 H new ATOM 0 HD3 PRO A 54 9.593 0.389 -8.355 1.00 0.00 H new ATOM 811 N GLU A 55 9.963 4.630 -6.915 1.00 0.00 N ATOM 812 CA GLU A 55 10.193 6.069 -6.861 1.00 0.00 C ATOM 813 C GLU A 55 9.271 6.729 -5.839 1.00 0.00 C ATOM 814 O GLU A 55 9.732 7.359 -4.887 1.00 0.00 O ATOM 815 CB GLU A 55 9.977 6.694 -8.240 1.00 0.00 C ATOM 816 CG GLU A 55 10.416 5.802 -9.389 1.00 0.00 C ATOM 817 CD GLU A 55 11.829 5.280 -9.214 1.00 0.00 C ATOM 818 OE1 GLU A 55 12.750 6.106 -9.042 1.00 0.00 O ATOM 819 OE2 GLU A 55 12.013 4.046 -9.249 1.00 0.00 O ATOM 0 H GLU A 55 10.085 4.217 -7.840 1.00 0.00 H new ATOM 0 HA GLU A 55 11.225 6.236 -6.553 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.920 6.932 -8.360 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.524 7.635 -8.293 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.729 4.960 -9.473 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.352 6.360 -10.323 1.00 0.00 H new ATOM 826 N ARG A 56 7.966 6.582 -6.047 1.00 0.00 N ATOM 827 CA ARG A 56 6.979 7.165 -5.147 1.00 0.00 C ATOM 828 C ARG A 56 6.746 6.264 -3.938 1.00 0.00 C ATOM 829 O ARG A 56 6.248 5.145 -4.072 1.00 0.00 O ATOM 830 CB ARG A 56 5.660 7.399 -5.885 1.00 0.00 C ATOM 831 CG ARG A 56 5.839 7.900 -7.309 1.00 0.00 C ATOM 832 CD ARG A 56 4.658 7.518 -8.187 1.00 0.00 C ATOM 833 NE ARG A 56 3.485 8.345 -7.918 1.00 0.00 N ATOM 834 CZ ARG A 56 3.324 9.571 -8.404 1.00 0.00 C ATOM 835 NH1 ARG A 56 4.256 10.109 -9.178 1.00 0.00 N ATOM 836 NH2 ARG A 56 2.229 10.261 -8.114 1.00 0.00 N ATOM 0 H ARG A 56 7.568 6.064 -6.831 1.00 0.00 H new ATOM 0 HA ARG A 56 7.365 8.122 -4.796 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.095 6.467 -5.905 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.064 8.121 -5.327 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.953 8.984 -7.303 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.755 7.485 -7.729 1.00 0.00 H new ATOM 0 HD2 ARG A 56 4.939 7.618 -9.235 1.00 0.00 H new ATOM 0 HD3 ARG A 56 4.408 6.470 -8.022 1.00 0.00 H new ATOM 0 HE ARG A 56 2.749 7.961 -7.325 1.00 0.00 H new ATOM 0 HH11 ARG A 56 5.100 9.582 -9.402 1.00 0.00 H new ATOM 0 HH12 ARG A 56 4.129 11.050 -9.550 1.00 0.00 H new ATOM 0 HH21 ARG A 56 1.510 9.850 -7.518 1.00 0.00 H new ATOM 0 HH22 ARG A 56 2.106 11.202 -8.487 1.00 0.00 H new ATOM 850 N LYS A 57 7.108 6.757 -2.759 1.00 0.00 N ATOM 851 CA LYS A 57 6.938 5.997 -1.526 1.00 0.00 C ATOM 852 C LYS A 57 6.543 6.915 -0.372 1.00 0.00 C ATOM 853 O LYS A 57 7.307 7.792 0.025 1.00 0.00 O ATOM 854 CB LYS A 57 8.228 5.252 -1.180 1.00 0.00 C ATOM 855 CG LYS A 57 9.416 6.169 -0.944 1.00 0.00 C ATOM 856 CD LYS A 57 10.706 5.382 -0.785 1.00 0.00 C ATOM 857 CE LYS A 57 11.274 4.965 -2.133 1.00 0.00 C ATOM 858 NZ LYS A 57 11.985 6.087 -2.806 1.00 0.00 N ATOM 0 H LYS A 57 7.521 7.681 -2.631 1.00 0.00 H new ATOM 0 HA LYS A 57 6.138 5.273 -1.682 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.061 4.650 -0.287 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.467 4.562 -1.989 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.513 6.863 -1.779 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.242 6.768 -0.050 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.439 5.987 -0.251 1.00 0.00 H new ATOM 0 HD3 LYS A 57 10.521 4.496 -0.177 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.961 4.130 -1.995 1.00 0.00 H new ATOM 0 HE3 LYS A 57 10.466 4.611 -2.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 12.819 5.719 -3.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 11.346 6.544 -3.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 12.287 6.783 -2.095 1.00 0.00 H new ATOM 872 N GLY A 58 5.343 6.703 0.162 1.00 0.00 N ATOM 873 CA GLY A 58 4.869 7.517 1.265 1.00 0.00 C ATOM 874 C GLY A 58 3.756 6.846 2.044 1.00 0.00 C ATOM 875 O GLY A 58 3.262 5.788 1.650 1.00 0.00 O ATOM 0 H GLY A 58 4.692 5.982 -0.150 1.00 0.00 H new ATOM 0 HA2 GLY A 58 5.700 7.732 1.937 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.514 8.473 0.881 1.00 0.00 H new ATOM 879 N VAL A 59 3.360 7.459 3.156 1.00 0.00 N ATOM 880 CA VAL A 59 2.299 6.913 3.993 1.00 0.00 C ATOM 881 C VAL A 59 0.924 7.233 3.417 1.00 0.00 C ATOM 882 O VAL A 59 0.685 8.339 2.929 1.00 0.00 O ATOM 883 CB VAL A 59 2.380 7.461 5.430 1.00 0.00 C ATOM 884 CG1 VAL A 59 2.208 8.972 5.437 1.00 0.00 C ATOM 885 CG2 VAL A 59 1.338 6.794 6.315 1.00 0.00 C ATOM 0 H VAL A 59 3.758 8.334 3.497 1.00 0.00 H new ATOM 0 HA VAL A 59 2.438 5.832 4.015 1.00 0.00 H new ATOM 0 HB VAL A 59 3.366 7.230 5.832 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.268 9.340 6.461 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.996 9.431 4.839 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.236 9.230 5.015 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.410 7.194 7.327 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.343 6.991 5.917 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.514 5.718 6.336 1.00 0.00 H new ATOM 895 N PHE A 60 0.022 6.258 3.476 1.00 0.00 N ATOM 896 CA PHE A 60 -1.330 6.436 2.959 1.00 0.00 C ATOM 897 C PHE A 60 -2.361 5.853 3.921 1.00 0.00 C ATOM 898 O PHE A 60 -2.092 4.904 4.657 1.00 0.00 O ATOM 899 CB PHE A 60 -1.464 5.773 1.586 1.00 0.00 C ATOM 900 CG PHE A 60 -1.069 4.324 1.578 1.00 0.00 C ATOM 901 CD1 PHE A 60 0.267 3.957 1.542 1.00 0.00 C ATOM 902 CD2 PHE A 60 -2.033 3.329 1.608 1.00 0.00 C ATOM 903 CE1 PHE A 60 0.632 2.625 1.535 1.00 0.00 C ATOM 904 CE2 PHE A 60 -1.673 1.995 1.600 1.00 0.00 C ATOM 905 CZ PHE A 60 -0.338 1.643 1.565 1.00 0.00 C ATOM 0 H PHE A 60 0.203 5.337 3.876 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.517 7.505 2.859 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -2.496 5.862 1.248 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.846 6.314 0.869 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.031 4.720 1.519 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -3.078 3.599 1.638 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.676 2.352 1.506 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -2.434 1.229 1.621 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.053 0.601 1.561 1.00 0.00 H new ATOM 915 N PRO A 61 -3.569 6.435 3.916 1.00 0.00 N ATOM 916 CA PRO A 61 -4.665 5.990 4.782 1.00 0.00 C ATOM 917 C PRO A 61 -5.212 4.627 4.372 1.00 0.00 C ATOM 918 O PRO A 61 -5.835 4.487 3.320 1.00 0.00 O ATOM 919 CB PRO A 61 -5.730 7.073 4.590 1.00 0.00 C ATOM 920 CG PRO A 61 -5.450 7.645 3.244 1.00 0.00 C ATOM 921 CD PRO A 61 -3.959 7.571 3.064 1.00 0.00 C ATOM 0 HA PRO A 61 -4.343 5.867 5.816 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.735 6.654 4.641 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.663 7.836 5.366 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -5.965 7.082 2.466 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -5.800 8.675 3.177 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.688 7.403 2.022 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.470 8.494 3.376 1.00 0.00 H new ATOM 929 N VAL A 62 -4.974 3.623 5.210 1.00 0.00 N ATOM 930 CA VAL A 62 -5.444 2.270 4.936 1.00 0.00 C ATOM 931 C VAL A 62 -6.931 2.262 4.604 1.00 0.00 C ATOM 932 O VAL A 62 -7.381 1.511 3.738 1.00 0.00 O ATOM 933 CB VAL A 62 -5.189 1.335 6.132 1.00 0.00 C ATOM 934 CG1 VAL A 62 -5.771 -0.045 5.864 1.00 0.00 C ATOM 935 CG2 VAL A 62 -3.701 1.246 6.433 1.00 0.00 C ATOM 0 H VAL A 62 -4.458 3.721 6.085 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.882 1.907 4.076 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.688 1.750 7.008 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.581 -0.692 6.720 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.846 0.038 5.703 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -5.303 -0.471 4.976 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.541 0.581 7.281 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.176 0.855 5.561 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.318 2.238 6.672 1.00 0.00 H new ATOM 945 N SER A 63 -7.692 3.102 5.299 1.00 0.00 N ATOM 946 CA SER A 63 -9.131 3.189 5.081 1.00 0.00 C ATOM 947 C SER A 63 -9.443 3.435 3.608 1.00 0.00 C ATOM 948 O SER A 63 -10.541 3.139 3.137 1.00 0.00 O ATOM 949 CB SER A 63 -9.730 4.309 5.936 1.00 0.00 C ATOM 950 OG SER A 63 -11.120 4.112 6.131 1.00 0.00 O ATOM 0 H SER A 63 -7.336 3.732 6.018 1.00 0.00 H new ATOM 0 HA SER A 63 -9.577 2.239 5.375 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.225 4.344 6.901 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.560 5.271 5.452 1.00 0.00 H new ATOM 0 HG SER A 63 -11.479 4.839 6.681 1.00 0.00 H new ATOM 956 N PHE A 64 -8.469 3.980 2.886 1.00 0.00 N ATOM 957 CA PHE A 64 -8.639 4.268 1.467 1.00 0.00 C ATOM 958 C PHE A 64 -8.264 3.057 0.618 1.00 0.00 C ATOM 959 O PHE A 64 -8.732 2.906 -0.510 1.00 0.00 O ATOM 960 CB PHE A 64 -7.787 5.472 1.063 1.00 0.00 C ATOM 961 CG PHE A 64 -8.483 6.790 1.254 1.00 0.00 C ATOM 962 CD1 PHE A 64 -9.083 7.103 2.463 1.00 0.00 C ATOM 963 CD2 PHE A 64 -8.536 7.716 0.225 1.00 0.00 C ATOM 964 CE1 PHE A 64 -9.724 8.314 2.641 1.00 0.00 C ATOM 965 CE2 PHE A 64 -9.176 8.929 0.397 1.00 0.00 C ATOM 966 CZ PHE A 64 -9.770 9.229 1.607 1.00 0.00 C ATOM 0 H PHE A 64 -7.554 4.231 3.261 1.00 0.00 H new ATOM 0 HA PHE A 64 -9.689 4.501 1.293 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.867 5.468 1.647 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -7.501 5.370 0.016 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -9.049 6.392 3.276 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -8.072 7.487 -0.723 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -10.189 8.545 3.588 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -9.211 9.641 -0.414 1.00 0.00 H new ATOM 0 HZ PHE A 64 -10.269 10.177 1.745 1.00 0.00 H new ATOM 976 N VAL A 65 -7.413 2.197 1.169 1.00 0.00 N ATOM 977 CA VAL A 65 -6.973 0.998 0.464 1.00 0.00 C ATOM 978 C VAL A 65 -7.569 -0.257 1.089 1.00 0.00 C ATOM 979 O VAL A 65 -8.062 -0.229 2.218 1.00 0.00 O ATOM 980 CB VAL A 65 -5.437 0.879 0.464 1.00 0.00 C ATOM 981 CG1 VAL A 65 -4.801 2.169 -0.031 1.00 0.00 C ATOM 982 CG2 VAL A 65 -4.931 0.525 1.855 1.00 0.00 C ATOM 0 H VAL A 65 -7.014 2.308 2.101 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.323 1.089 -0.564 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.152 0.077 -0.217 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.716 2.066 -0.024 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.139 2.375 -1.046 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.091 2.992 0.622 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.844 0.445 1.837 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.226 1.304 2.559 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.360 -0.427 2.167 1.00 0.00 H new ATOM 992 N HIS A 66 -7.522 -1.360 0.349 1.00 0.00 N ATOM 993 CA HIS A 66 -8.058 -2.628 0.831 1.00 0.00 C ATOM 994 C HIS A 66 -7.070 -3.764 0.584 1.00 0.00 C ATOM 995 O HIS A 66 -6.654 -4.001 -0.551 1.00 0.00 O ATOM 996 CB HIS A 66 -9.390 -2.937 0.146 1.00 0.00 C ATOM 997 CG HIS A 66 -9.245 -3.723 -1.121 1.00 0.00 C ATOM 998 ND1 HIS A 66 -8.934 -3.144 -2.333 1.00 0.00 N ATOM 999 CD2 HIS A 66 -9.368 -5.049 -1.359 1.00 0.00 C ATOM 1000 CE1 HIS A 66 -8.873 -4.081 -3.262 1.00 0.00 C ATOM 1001 NE2 HIS A 66 -9.132 -5.247 -2.697 1.00 0.00 N ATOM 0 H HIS A 66 -7.118 -1.401 -0.587 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.223 -2.540 1.905 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -10.024 -3.492 0.837 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -9.902 -2.000 -0.074 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -9.607 -5.811 -0.632 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -8.649 -3.921 -4.306 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -9.153 -6.147 -3.176 1.00 0.00 H new ATOM 1010 N ILE A 67 -6.699 -4.462 1.651 1.00 0.00 N ATOM 1011 CA ILE A 67 -5.761 -5.572 1.550 1.00 0.00 C ATOM 1012 C ILE A 67 -6.248 -6.614 0.547 1.00 0.00 C ATOM 1013 O ILE A 67 -7.333 -7.176 0.697 1.00 0.00 O ATOM 1014 CB ILE A 67 -5.542 -6.252 2.914 1.00 0.00 C ATOM 1015 CG1 ILE A 67 -5.051 -5.233 3.943 1.00 0.00 C ATOM 1016 CG2 ILE A 67 -4.552 -7.400 2.782 1.00 0.00 C ATOM 1017 CD1 ILE A 67 -5.366 -5.617 5.372 1.00 0.00 C ATOM 0 H ILE A 67 -7.034 -4.278 2.597 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.815 -5.154 1.206 1.00 0.00 H new ATOM 0 HB ILE A 67 -6.494 -6.658 3.258 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.973 -5.112 3.837 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.503 -4.265 3.728 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.408 -7.870 3.755 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -4.940 -8.136 2.077 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.598 -7.018 2.419 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.989 -4.849 6.047 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.445 -5.709 5.495 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.892 -6.570 5.606 1.00 0.00 H new ATOM 1029 N LEU A 68 -5.437 -6.868 -0.475 1.00 0.00 N ATOM 1030 CA LEU A 68 -5.784 -7.843 -1.502 1.00 0.00 C ATOM 1031 C LEU A 68 -5.627 -9.267 -0.976 1.00 0.00 C ATOM 1032 O LEU A 68 -4.517 -9.717 -0.696 1.00 0.00 O ATOM 1033 CB LEU A 68 -4.907 -7.645 -2.739 1.00 0.00 C ATOM 1034 CG LEU A 68 -4.899 -6.239 -3.337 1.00 0.00 C ATOM 1035 CD1 LEU A 68 -3.562 -5.950 -4.004 1.00 0.00 C ATOM 1036 CD2 LEU A 68 -6.040 -6.074 -4.331 1.00 0.00 C ATOM 0 H LEU A 68 -4.535 -6.412 -0.614 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.828 -7.689 -1.776 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.883 -7.914 -2.481 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.236 -8.344 -3.508 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.042 -5.521 -2.529 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.575 -4.944 -4.424 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.763 -6.025 -3.266 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.389 -6.674 -4.800 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.018 -5.066 -4.746 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.929 -6.801 -5.136 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.991 -6.237 -3.824 1.00 0.00 H new