USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 578 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 58 SER OG : rot 170:sc= 0 USER MOD Single : A 62 HIS : no HE2:sc= -7.78! C(o=-7.8!,f=-8.5!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot -43:sc= -0.578! USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.00362 USER MOD Single : A 87 ASN : amide:sc= -0.89 K(o=-0.89,f=-5!) USER MOD Single : A 90 MET CE :methyl -150:sc= -0.0705 (180deg=-1.1) USER MOD Single : A 95 ASN : amide:sc= -0.708 K(o=-0.71,f=0.44) USER MOD Single : A 96 GLN : amide:sc= -2.76! K(o=-2.8!,f=-1.6) USER MOD Single : A 103 THR OG1 : rot 146:sc= 0.731 USER MOD Single : A 109 THR OG1 : rot 76:sc= 0.363 USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 112 ASN : amide:sc= -2.65 K(o=-2.6,f=-9.2!) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 HIS : no HE2:sc= -5.46! X(o=-5.5!,f=-5.1) USER MOD Single : A 123 ASN : amide:sc= -0.721 K(o=-0.72,f=-1.7) USER MOD Single : A 124 GLN : amide:sc= 0 X(o=0,f=-0.0044) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 GLN : amide:sc=-0.00404 X(o=-0.004,f=-0.39) USER MOD Single : A 130 TYR OH : rot 130:sc= -0.737 USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 160 N SER A 58 -1.920 10.813 1.926 1.00 0.00 N ATOM 161 CA SER A 58 -0.597 10.379 2.359 1.00 0.00 C ATOM 162 C SER A 58 0.129 9.644 1.236 1.00 0.00 C ATOM 163 O SER A 58 -0.457 8.811 0.544 1.00 0.00 O ATOM 164 CB SER A 58 -0.710 9.472 3.586 1.00 0.00 C ATOM 165 OG SER A 58 0.542 9.328 4.231 1.00 0.00 O ATOM 0 HA SER A 58 -0.020 11.266 2.623 1.00 0.00 H new ATOM 0 HB2 SER A 58 -1.436 9.888 4.284 1.00 0.00 H new ATOM 0 HB3 SER A 58 -1.082 8.493 3.285 1.00 0.00 H new ATOM 0 HG SER A 58 0.416 8.882 5.094 1.00 0.00 H new ATOM 171 N ARG A 59 1.408 9.961 1.059 1.00 0.00 N ATOM 172 CA ARG A 59 2.214 9.333 0.020 1.00 0.00 C ATOM 173 C ARG A 59 2.381 7.841 0.288 1.00 0.00 C ATOM 174 O ARG A 59 2.551 7.048 -0.639 1.00 0.00 O ATOM 175 CB ARG A 59 3.587 10.003 -0.065 1.00 0.00 C ATOM 176 CG ARG A 59 3.527 11.465 -0.475 1.00 0.00 C ATOM 177 CD ARG A 59 4.790 11.891 -1.207 1.00 0.00 C ATOM 178 NE ARG A 59 5.044 13.323 -1.073 1.00 0.00 N ATOM 179 CZ ARG A 59 6.191 13.900 -1.413 1.00 0.00 C ATOM 180 NH1 ARG A 59 7.184 13.172 -1.906 1.00 0.00 N ATOM 181 NH2 ARG A 59 6.347 15.209 -1.261 1.00 0.00 N ATOM 0 H ARG A 59 1.908 10.649 1.622 1.00 0.00 H new ATOM 0 HA ARG A 59 1.696 9.458 -0.931 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.080 9.926 0.904 1.00 0.00 H new ATOM 0 HB3 ARG A 59 4.204 9.459 -0.780 1.00 0.00 H new ATOM 0 HG2 ARG A 59 2.661 11.629 -1.116 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.391 12.087 0.410 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.641 11.334 -0.816 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.700 11.636 -2.263 1.00 0.00 H new ATOM 0 HE ARG A 59 4.300 13.912 -0.698 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.068 12.166 -2.025 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.063 13.619 -2.166 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.586 15.773 -0.883 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.228 15.651 -1.522 1.00 0.00 H new ATOM 195 N VAL A 60 2.331 7.463 1.562 1.00 0.00 N ATOM 196 CA VAL A 60 2.475 6.066 1.952 1.00 0.00 C ATOM 197 C VAL A 60 1.117 5.378 2.045 1.00 0.00 C ATOM 198 O VAL A 60 0.168 5.929 2.605 1.00 0.00 O ATOM 199 CB VAL A 60 3.199 5.933 3.305 1.00 0.00 C ATOM 200 CG1 VAL A 60 3.451 4.469 3.633 1.00 0.00 C ATOM 201 CG2 VAL A 60 4.503 6.717 3.289 1.00 0.00 C ATOM 0 H VAL A 60 2.192 8.106 2.342 1.00 0.00 H new ATOM 0 HA VAL A 60 3.072 5.582 1.179 1.00 0.00 H new ATOM 0 HB VAL A 60 2.560 6.350 4.083 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.963 4.394 4.592 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.500 3.939 3.687 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.071 4.023 2.855 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.002 6.613 4.252 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.150 6.331 2.501 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.292 7.770 3.102 1.00 0.00 H new ATOM 211 N LEU A 61 1.032 4.173 1.495 1.00 0.00 N ATOM 212 CA LEU A 61 -0.210 3.408 1.516 1.00 0.00 C ATOM 213 C LEU A 61 -0.074 2.174 2.402 1.00 0.00 C ATOM 214 O LEU A 61 0.945 1.483 2.371 1.00 0.00 O ATOM 215 CB LEU A 61 -0.600 2.991 0.097 1.00 0.00 C ATOM 216 CG LEU A 61 -0.753 4.125 -0.917 1.00 0.00 C ATOM 217 CD1 LEU A 61 -0.822 3.570 -2.332 1.00 0.00 C ATOM 218 CD2 LEU A 61 -1.992 4.955 -0.607 1.00 0.00 C ATOM 0 H LEU A 61 1.808 3.704 1.029 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.993 4.044 1.928 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.152 2.296 -0.276 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.542 2.445 0.146 1.00 0.00 H new ATOM 0 HG LEU A 61 0.121 4.772 -0.844 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.931 4.391 -3.040 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.093 3.020 -2.552 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.678 2.900 -2.419 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.085 5.757 -1.339 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.876 4.319 -0.651 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.903 5.383 0.391 1.00 0.00 H new ATOM 230 N HIS A 62 -1.109 1.899 3.190 1.00 0.00 N ATOM 231 CA HIS A 62 -1.107 0.745 4.082 1.00 0.00 C ATOM 232 C HIS A 62 -1.679 -0.484 3.382 1.00 0.00 C ATOM 233 O HIS A 62 -2.819 -0.469 2.915 1.00 0.00 O ATOM 234 CB HIS A 62 -1.912 1.050 5.346 1.00 0.00 C ATOM 235 CG HIS A 62 -2.072 -0.131 6.253 1.00 0.00 C ATOM 236 ND1 HIS A 62 -3.284 -0.512 6.787 1.00 0.00 N ATOM 237 CD2 HIS A 62 -1.161 -1.019 6.718 1.00 0.00 C ATOM 238 CE1 HIS A 62 -3.113 -1.581 7.544 1.00 0.00 C ATOM 239 NE2 HIS A 62 -1.834 -1.909 7.519 1.00 0.00 N ATOM 0 H HIS A 62 -1.960 2.460 3.229 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.075 0.533 4.361 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -1.422 1.855 5.894 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -2.899 1.414 5.060 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -4.174 -0.042 6.623 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -0.103 -1.026 6.500 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -3.887 -2.099 8.090 1.00 0.00 H new ATOM 247 N ILE A 63 -0.881 -1.544 3.313 1.00 0.00 N ATOM 248 CA ILE A 63 -1.310 -2.781 2.671 1.00 0.00 C ATOM 249 C ILE A 63 -1.343 -3.935 3.667 1.00 0.00 C ATOM 250 O ILE A 63 -0.386 -4.156 4.409 1.00 0.00 O ATOM 251 CB ILE A 63 -0.384 -3.156 1.499 1.00 0.00 C ATOM 252 CG1 ILE A 63 -0.387 -2.049 0.443 1.00 0.00 C ATOM 253 CG2 ILE A 63 -0.815 -4.481 0.887 1.00 0.00 C ATOM 254 CD1 ILE A 63 0.779 -2.128 -0.518 1.00 0.00 C ATOM 0 H ILE A 63 0.065 -1.572 3.693 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.316 -2.606 2.288 1.00 0.00 H new ATOM 0 HB ILE A 63 0.632 -3.266 1.879 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.318 -2.100 -0.122 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.370 -1.081 0.943 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.151 -4.733 0.060 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.766 -5.264 1.643 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.837 -4.396 0.519 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.713 -1.313 -1.239 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.714 -2.047 0.037 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.752 -3.082 -1.045 1.00 0.00 H new ATOM 266 N ARG A 64 -2.452 -4.668 3.678 1.00 0.00 N ATOM 267 CA ARG A 64 -2.610 -5.800 4.583 1.00 0.00 C ATOM 268 C ARG A 64 -3.124 -7.027 3.835 1.00 0.00 C ATOM 269 O ARG A 64 -3.449 -6.954 2.650 1.00 0.00 O ATOM 270 CB ARG A 64 -3.571 -5.442 5.719 1.00 0.00 C ATOM 271 CG ARG A 64 -3.518 -3.978 6.124 1.00 0.00 C ATOM 272 CD ARG A 64 -4.496 -3.140 5.315 1.00 0.00 C ATOM 273 NE ARG A 64 -5.845 -3.184 5.872 1.00 0.00 N ATOM 274 CZ ARG A 64 -6.916 -2.709 5.243 1.00 0.00 C ATOM 275 NH1 ARG A 64 -6.794 -2.157 4.044 1.00 0.00 N ATOM 276 NH2 ARG A 64 -8.110 -2.785 5.815 1.00 0.00 N ATOM 0 H ARG A 64 -3.254 -4.498 3.071 1.00 0.00 H new ATOM 0 HA ARG A 64 -1.632 -6.036 5.004 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -4.588 -5.689 5.414 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -3.339 -6.059 6.587 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -3.748 -3.884 7.185 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.507 -3.597 5.982 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -4.150 -2.107 5.285 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -4.517 -3.499 4.286 1.00 0.00 H new ATOM 0 HE ARG A 64 -5.973 -3.602 6.794 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -5.877 -2.096 3.602 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.617 -1.793 3.564 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -8.207 -3.208 6.738 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -8.931 -2.420 5.332 1.00 0.00 H new ATOM 290 N LYS A 65 -3.193 -8.154 4.535 1.00 0.00 N ATOM 291 CA LYS A 65 -3.668 -9.397 3.939 1.00 0.00 C ATOM 292 C LYS A 65 -2.839 -9.763 2.711 1.00 0.00 C ATOM 293 O LYS A 65 -3.381 -9.983 1.627 1.00 0.00 O ATOM 294 CB LYS A 65 -5.143 -9.270 3.552 1.00 0.00 C ATOM 295 CG LYS A 65 -6.083 -9.222 4.744 1.00 0.00 C ATOM 296 CD LYS A 65 -6.249 -10.592 5.380 1.00 0.00 C ATOM 297 CE LYS A 65 -7.439 -10.626 6.326 1.00 0.00 C ATOM 298 NZ LYS A 65 -7.124 -9.991 7.636 1.00 0.00 N ATOM 0 H LYS A 65 -2.926 -8.232 5.516 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.560 -10.190 4.679 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.277 -8.366 2.957 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.417 -10.113 2.917 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.698 -8.521 5.484 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.056 -8.847 4.426 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.381 -11.343 4.601 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.342 -10.854 5.925 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.283 -10.112 5.867 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.745 -11.660 6.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.960 -10.034 8.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.335 -10.497 8.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.856 -8.997 7.485 1.00 0.00 H new ATOM 312 N LEU A 66 -1.524 -9.828 2.889 1.00 0.00 N ATOM 313 CA LEU A 66 -0.620 -10.169 1.796 1.00 0.00 C ATOM 314 C LEU A 66 -0.357 -11.671 1.755 1.00 0.00 C ATOM 315 O LEU A 66 -0.406 -12.362 2.773 1.00 0.00 O ATOM 316 CB LEU A 66 0.701 -9.412 1.946 1.00 0.00 C ATOM 317 CG LEU A 66 0.655 -7.915 1.639 1.00 0.00 C ATOM 318 CD1 LEU A 66 1.979 -7.256 1.994 1.00 0.00 C ATOM 319 CD2 LEU A 66 0.319 -7.681 0.172 1.00 0.00 C ATOM 0 H LEU A 66 -1.060 -9.649 3.780 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.095 -9.877 0.860 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.057 -9.542 2.968 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.438 -9.875 1.290 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.128 -7.463 2.248 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.927 -6.191 1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.180 -7.393 3.057 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.780 -7.712 1.412 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.291 -6.610 -0.028 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.080 -8.147 -0.454 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.654 -8.118 -0.053 1.00 0.00 H new ATOM 331 N PRO A 67 -0.070 -12.189 0.552 1.00 0.00 N ATOM 332 CA PRO A 67 0.209 -13.614 0.350 1.00 0.00 C ATOM 333 C PRO A 67 1.483 -14.061 1.059 1.00 0.00 C ATOM 334 O PRO A 67 2.469 -13.326 1.109 1.00 0.00 O ATOM 335 CB PRO A 67 0.373 -13.732 -1.168 1.00 0.00 C ATOM 336 CG PRO A 67 0.710 -12.353 -1.620 1.00 0.00 C ATOM 337 CD PRO A 67 0.006 -11.424 -0.704 1.00 0.00 C ATOM 0 HA PRO A 67 -0.580 -14.246 0.758 1.00 0.00 H new ATOM 0 HB2 PRO A 67 1.162 -14.438 -1.427 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -0.543 -14.090 -1.639 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.787 -12.187 -1.588 1.00 0.00 H new ATOM 0 HG3 PRO A 67 0.394 -12.195 -2.651 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.555 -10.491 -0.575 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.984 -11.162 -1.077 1.00 0.00 H new ATOM 345 N GLY A 68 1.456 -15.272 1.607 1.00 0.00 N ATOM 346 CA GLY A 68 2.615 -15.797 2.306 1.00 0.00 C ATOM 347 C GLY A 68 3.758 -16.125 1.368 1.00 0.00 C ATOM 348 O GLY A 68 3.537 -16.490 0.214 1.00 0.00 O ATOM 0 H GLY A 68 0.652 -15.899 1.579 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.952 -15.068 3.043 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.329 -16.695 2.853 1.00 0.00 H new ATOM 352 N GLU A 69 4.985 -15.993 1.862 1.00 0.00 N ATOM 353 CA GLU A 69 6.168 -16.276 1.058 1.00 0.00 C ATOM 354 C GLU A 69 6.220 -15.371 -0.170 1.00 0.00 C ATOM 355 O GLU A 69 6.809 -15.725 -1.191 1.00 0.00 O ATOM 356 CB GLU A 69 6.177 -17.744 0.624 1.00 0.00 C ATOM 357 CG GLU A 69 6.294 -18.720 1.782 1.00 0.00 C ATOM 358 CD GLU A 69 7.703 -18.797 2.339 1.00 0.00 C ATOM 359 OE1 GLU A 69 8.657 -18.824 1.535 1.00 0.00 O ATOM 360 OE2 GLU A 69 7.850 -18.831 3.579 1.00 0.00 O ATOM 0 H GLU A 69 5.186 -15.692 2.816 1.00 0.00 H new ATOM 0 HA GLU A 69 7.048 -16.080 1.670 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.262 -17.956 0.072 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.008 -17.906 -0.062 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.609 -18.421 2.575 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.984 -19.711 1.450 1.00 0.00 H new ATOM 367 N VAL A 70 5.599 -14.200 -0.062 1.00 0.00 N ATOM 368 CA VAL A 70 5.575 -13.244 -1.161 1.00 0.00 C ATOM 369 C VAL A 70 6.748 -12.275 -1.073 1.00 0.00 C ATOM 370 O VAL A 70 7.112 -11.820 0.012 1.00 0.00 O ATOM 371 CB VAL A 70 4.260 -12.442 -1.177 1.00 0.00 C ATOM 372 CG1 VAL A 70 4.224 -11.450 -0.025 1.00 0.00 C ATOM 373 CG2 VAL A 70 4.089 -11.729 -2.511 1.00 0.00 C ATOM 0 H VAL A 70 5.106 -13.892 0.776 1.00 0.00 H new ATOM 0 HA VAL A 70 5.653 -13.820 -2.083 1.00 0.00 H new ATOM 0 HB VAL A 70 3.429 -13.137 -1.052 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.287 -10.893 -0.053 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.298 -11.987 0.920 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.061 -10.757 -0.115 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.155 -11.167 -2.506 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.923 -11.045 -2.668 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.066 -12.464 -3.316 1.00 0.00 H new ATOM 383 N THR A 71 7.338 -11.961 -2.221 1.00 0.00 N ATOM 384 CA THR A 71 8.470 -11.045 -2.274 1.00 0.00 C ATOM 385 C THR A 71 8.019 -9.631 -2.622 1.00 0.00 C ATOM 386 O THR A 71 7.002 -9.441 -3.288 1.00 0.00 O ATOM 387 CB THR A 71 9.518 -11.506 -3.306 1.00 0.00 C ATOM 388 OG1 THR A 71 8.868 -11.922 -4.512 1.00 0.00 O ATOM 389 CG2 THR A 71 10.354 -12.650 -2.754 1.00 0.00 C ATOM 0 H THR A 71 7.050 -12.328 -3.128 1.00 0.00 H new ATOM 0 HA THR A 71 8.922 -11.045 -1.282 1.00 0.00 H new ATOM 0 HB THR A 71 10.178 -10.666 -3.521 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.079 -12.459 -4.290 1.00 0.00 H new ATOM 0 HG21 THR A 71 11.086 -12.958 -3.500 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.871 -12.321 -1.852 1.00 0.00 H new ATOM 0 HG23 THR A 71 9.705 -13.492 -2.513 1.00 0.00 H new ATOM 397 N GLU A 72 8.783 -8.643 -2.168 1.00 0.00 N ATOM 398 CA GLU A 72 8.460 -7.246 -2.432 1.00 0.00 C ATOM 399 C GLU A 72 8.228 -7.013 -3.922 1.00 0.00 C ATOM 400 O GLU A 72 7.352 -6.240 -4.313 1.00 0.00 O ATOM 401 CB GLU A 72 9.585 -6.336 -1.933 1.00 0.00 C ATOM 402 CG GLU A 72 9.722 -6.312 -0.420 1.00 0.00 C ATOM 403 CD GLU A 72 11.122 -5.944 0.033 1.00 0.00 C ATOM 404 OE1 GLU A 72 11.613 -4.870 -0.371 1.00 0.00 O ATOM 405 OE2 GLU A 72 11.725 -6.731 0.792 1.00 0.00 O ATOM 0 H GLU A 72 9.629 -8.784 -1.616 1.00 0.00 H new ATOM 0 HA GLU A 72 7.542 -7.005 -1.896 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.528 -6.665 -2.370 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.406 -5.322 -2.289 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.011 -5.598 -0.006 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.460 -7.291 -0.020 1.00 0.00 H new ATOM 412 N THR A 73 9.018 -7.688 -4.751 1.00 0.00 N ATOM 413 CA THR A 73 8.900 -7.555 -6.198 1.00 0.00 C ATOM 414 C THR A 73 7.439 -7.485 -6.626 1.00 0.00 C ATOM 415 O THR A 73 7.070 -6.678 -7.479 1.00 0.00 O ATOM 416 CB THR A 73 9.581 -8.728 -6.927 1.00 0.00 C ATOM 417 OG1 THR A 73 10.952 -8.828 -6.523 1.00 0.00 O ATOM 418 CG2 THR A 73 9.505 -8.545 -8.435 1.00 0.00 C ATOM 0 H THR A 73 9.747 -8.333 -4.445 1.00 0.00 H new ATOM 0 HA THR A 73 9.401 -6.627 -6.472 1.00 0.00 H new ATOM 0 HB THR A 73 9.056 -9.645 -6.660 1.00 0.00 H new ATOM 0 HG1 THR A 73 11.377 -9.577 -6.990 1.00 0.00 H new ATOM 0 HG21 THR A 73 9.993 -9.386 -8.929 1.00 0.00 H new ATOM 0 HG22 THR A 73 8.461 -8.499 -8.744 1.00 0.00 H new ATOM 0 HG23 THR A 73 10.007 -7.619 -8.715 1.00 0.00 H new ATOM 426 N GLU A 74 6.610 -8.336 -6.029 1.00 0.00 N ATOM 427 CA GLU A 74 5.188 -8.369 -6.350 1.00 0.00 C ATOM 428 C GLU A 74 4.538 -7.014 -6.085 1.00 0.00 C ATOM 429 O GLU A 74 3.907 -6.433 -6.967 1.00 0.00 O ATOM 430 CB GLU A 74 4.483 -9.453 -5.533 1.00 0.00 C ATOM 431 CG GLU A 74 4.816 -10.866 -5.981 1.00 0.00 C ATOM 432 CD GLU A 74 6.244 -11.260 -5.658 1.00 0.00 C ATOM 433 OE1 GLU A 74 7.169 -10.712 -6.293 1.00 0.00 O ATOM 434 OE2 GLU A 74 6.437 -12.116 -4.769 1.00 0.00 O ATOM 0 H GLU A 74 6.899 -9.011 -5.321 1.00 0.00 H new ATOM 0 HA GLU A 74 5.087 -8.600 -7.411 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.755 -9.340 -4.484 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.405 -9.304 -5.601 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.133 -11.566 -5.500 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.654 -10.950 -7.056 1.00 0.00 H new ATOM 441 N VAL A 75 4.699 -6.517 -4.862 1.00 0.00 N ATOM 442 CA VAL A 75 4.128 -5.231 -4.480 1.00 0.00 C ATOM 443 C VAL A 75 4.728 -4.097 -5.304 1.00 0.00 C ATOM 444 O VAL A 75 4.042 -3.132 -5.644 1.00 0.00 O ATOM 445 CB VAL A 75 4.355 -4.939 -2.985 1.00 0.00 C ATOM 446 CG1 VAL A 75 3.554 -3.720 -2.551 1.00 0.00 C ATOM 447 CG2 VAL A 75 3.990 -6.153 -2.144 1.00 0.00 C ATOM 0 H VAL A 75 5.219 -6.985 -4.120 1.00 0.00 H new ATOM 0 HA VAL A 75 3.057 -5.290 -4.673 1.00 0.00 H new ATOM 0 HB VAL A 75 5.412 -4.723 -2.831 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.727 -3.529 -1.492 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.868 -2.853 -3.132 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.493 -3.904 -2.718 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.157 -5.929 -1.090 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.940 -6.402 -2.301 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.611 -6.999 -2.438 1.00 0.00 H new ATOM 457 N ILE A 76 6.012 -4.220 -5.623 1.00 0.00 N ATOM 458 CA ILE A 76 6.704 -3.206 -6.409 1.00 0.00 C ATOM 459 C ILE A 76 6.143 -3.130 -7.825 1.00 0.00 C ATOM 460 O ILE A 76 5.767 -2.058 -8.298 1.00 0.00 O ATOM 461 CB ILE A 76 8.217 -3.487 -6.483 1.00 0.00 C ATOM 462 CG1 ILE A 76 8.824 -3.507 -5.080 1.00 0.00 C ATOM 463 CG2 ILE A 76 8.907 -2.443 -7.349 1.00 0.00 C ATOM 464 CD1 ILE A 76 10.270 -3.949 -5.052 1.00 0.00 C ATOM 0 H ILE A 76 6.594 -5.012 -5.349 1.00 0.00 H new ATOM 0 HA ILE A 76 6.543 -2.253 -5.906 1.00 0.00 H new ATOM 0 HB ILE A 76 8.368 -4.466 -6.937 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.749 -2.510 -4.647 1.00 0.00 H new ATOM 0 HG13 ILE A 76 8.237 -4.174 -4.449 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.975 -2.654 -7.392 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.490 -2.472 -8.356 1.00 0.00 H new ATOM 0 HG23 ILE A 76 8.750 -1.453 -6.920 1.00 0.00 H new ATOM 0 HD11 ILE A 76 10.634 -3.939 -4.025 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.350 -4.959 -5.455 1.00 0.00 H new ATOM 0 HD13 ILE A 76 10.870 -3.269 -5.656 1.00 0.00 H new ATOM 476 N ALA A 77 6.087 -4.276 -8.496 1.00 0.00 N ATOM 477 CA ALA A 77 5.568 -4.340 -9.856 1.00 0.00 C ATOM 478 C ALA A 77 4.137 -3.815 -9.922 1.00 0.00 C ATOM 479 O ALA A 77 3.635 -3.486 -10.998 1.00 0.00 O ATOM 480 CB ALA A 77 5.632 -5.767 -10.379 1.00 0.00 C ATOM 0 H ALA A 77 6.395 -5.173 -8.119 1.00 0.00 H new ATOM 0 HA ALA A 77 6.191 -3.705 -10.486 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.241 -5.800 -11.396 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.667 -6.109 -10.377 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.034 -6.416 -9.739 1.00 0.00 H new ATOM 486 N LEU A 78 3.485 -3.738 -8.768 1.00 0.00 N ATOM 487 CA LEU A 78 2.112 -3.253 -8.695 1.00 0.00 C ATOM 488 C LEU A 78 2.078 -1.750 -8.432 1.00 0.00 C ATOM 489 O LEU A 78 1.116 -1.070 -8.783 1.00 0.00 O ATOM 490 CB LEU A 78 1.347 -3.992 -7.596 1.00 0.00 C ATOM 491 CG LEU A 78 1.136 -5.490 -7.816 1.00 0.00 C ATOM 492 CD1 LEU A 78 0.739 -6.170 -6.514 1.00 0.00 C ATOM 493 CD2 LEU A 78 0.082 -5.729 -8.886 1.00 0.00 C ATOM 0 H LEU A 78 3.886 -4.006 -7.869 1.00 0.00 H new ATOM 0 HA LEU A 78 1.633 -3.446 -9.655 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.880 -3.855 -6.655 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.371 -3.521 -7.481 1.00 0.00 H new ATOM 0 HG LEU A 78 2.076 -5.923 -8.157 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.593 -7.236 -6.690 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.527 -6.029 -5.775 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.188 -5.733 -6.143 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.055 -6.801 -9.029 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.861 -5.281 -8.574 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.406 -5.276 -9.823 1.00 0.00 H new ATOM 505 N GLY A 79 3.138 -1.239 -7.814 1.00 0.00 N ATOM 506 CA GLY A 79 3.211 0.180 -7.516 1.00 0.00 C ATOM 507 C GLY A 79 3.994 0.951 -8.560 1.00 0.00 C ATOM 508 O GLY A 79 4.002 2.183 -8.556 1.00 0.00 O ATOM 0 H GLY A 79 3.948 -1.782 -7.514 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.202 0.587 -7.449 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.676 0.320 -6.540 1.00 0.00 H new ATOM 512 N LEU A 80 4.657 0.227 -9.455 1.00 0.00 N ATOM 513 CA LEU A 80 5.448 0.851 -10.509 1.00 0.00 C ATOM 514 C LEU A 80 4.549 1.423 -11.600 1.00 0.00 C ATOM 515 O LEU A 80 4.770 2.523 -12.109 1.00 0.00 O ATOM 516 CB LEU A 80 6.420 -0.164 -11.114 1.00 0.00 C ATOM 517 CG LEU A 80 7.708 -0.412 -10.327 1.00 0.00 C ATOM 518 CD1 LEU A 80 8.462 -1.601 -10.899 1.00 0.00 C ATOM 519 CD2 LEU A 80 8.585 0.832 -10.337 1.00 0.00 C ATOM 0 H LEU A 80 4.662 -0.793 -9.472 1.00 0.00 H new ATOM 0 HA LEU A 80 6.015 1.669 -10.066 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.898 -1.114 -11.227 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.689 0.173 -12.115 1.00 0.00 H new ATOM 0 HG LEU A 80 7.443 -0.639 -9.294 1.00 0.00 H new ATOM 0 HD11 LEU A 80 9.375 -1.762 -10.326 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.836 -2.491 -10.841 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.717 -1.404 -11.940 1.00 0.00 H new ATOM 0 HD21 LEU A 80 9.497 0.639 -9.773 1.00 0.00 H new ATOM 0 HD22 LEU A 80 8.842 1.088 -11.365 1.00 0.00 H new ATOM 0 HD23 LEU A 80 8.045 1.662 -9.880 1.00 0.00 H new ATOM 531 N PRO A 81 3.507 0.663 -11.967 1.00 0.00 N ATOM 532 CA PRO A 81 2.551 1.075 -13.000 1.00 0.00 C ATOM 533 C PRO A 81 2.056 2.502 -12.794 1.00 0.00 C ATOM 534 O PRO A 81 1.736 3.203 -13.755 1.00 0.00 O ATOM 535 CB PRO A 81 1.400 0.081 -12.833 1.00 0.00 C ATOM 536 CG PRO A 81 2.027 -1.129 -12.233 1.00 0.00 C ATOM 537 CD PRO A 81 3.182 -0.658 -11.403 1.00 0.00 C ATOM 0 HA PRO A 81 2.997 1.069 -13.995 1.00 0.00 H new ATOM 0 HB2 PRO A 81 0.620 0.484 -12.187 1.00 0.00 H new ATOM 0 HB3 PRO A 81 0.934 -0.149 -13.791 1.00 0.00 H new ATOM 0 HG2 PRO A 81 1.308 -1.672 -11.620 1.00 0.00 H new ATOM 0 HG3 PRO A 81 2.365 -1.814 -13.011 1.00 0.00 H new ATOM 0 HD2 PRO A 81 2.914 -0.588 -10.349 1.00 0.00 H new ATOM 0 HD3 PRO A 81 4.029 -1.341 -11.472 1.00 0.00 H new ATOM 545 N PHE A 82 1.996 2.928 -11.536 1.00 0.00 N ATOM 546 CA PHE A 82 1.539 4.272 -11.206 1.00 0.00 C ATOM 547 C PHE A 82 2.715 5.242 -11.124 1.00 0.00 C ATOM 548 O PHE A 82 2.674 6.334 -11.688 1.00 0.00 O ATOM 549 CB PHE A 82 0.778 4.264 -9.878 1.00 0.00 C ATOM 550 CG PHE A 82 -0.317 3.238 -9.823 1.00 0.00 C ATOM 551 CD1 PHE A 82 -1.557 3.497 -10.386 1.00 0.00 C ATOM 552 CD2 PHE A 82 -0.108 2.014 -9.208 1.00 0.00 C ATOM 553 CE1 PHE A 82 -2.566 2.555 -10.335 1.00 0.00 C ATOM 554 CE2 PHE A 82 -1.114 1.068 -9.154 1.00 0.00 C ATOM 555 CZ PHE A 82 -2.344 1.338 -9.720 1.00 0.00 C ATOM 0 H PHE A 82 2.258 2.362 -10.729 1.00 0.00 H new ATOM 0 HA PHE A 82 0.869 4.605 -11.999 1.00 0.00 H new ATOM 0 HB2 PHE A 82 1.481 4.078 -9.066 1.00 0.00 H new ATOM 0 HB3 PHE A 82 0.349 5.252 -9.708 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.736 4.446 -10.870 1.00 0.00 H new ATOM 0 HD2 PHE A 82 0.853 1.797 -8.765 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.528 2.770 -10.776 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -0.938 0.119 -8.670 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.131 0.599 -9.682 1.00 0.00 H new ATOM 565 N GLY A 83 3.764 4.832 -10.417 1.00 0.00 N ATOM 566 CA GLY A 83 4.937 5.675 -10.273 1.00 0.00 C ATOM 567 C GLY A 83 6.194 4.876 -9.992 1.00 0.00 C ATOM 568 O GLY A 83 6.518 3.938 -10.720 1.00 0.00 O ATOM 0 H GLY A 83 3.822 3.931 -9.942 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.076 6.257 -11.184 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.773 6.385 -9.463 1.00 0.00 H new ATOM 572 N LYS A 84 6.906 5.250 -8.935 1.00 0.00 N ATOM 573 CA LYS A 84 8.136 4.562 -8.558 1.00 0.00 C ATOM 574 C LYS A 84 8.161 4.272 -7.062 1.00 0.00 C ATOM 575 O LYS A 84 7.702 5.080 -6.254 1.00 0.00 O ATOM 576 CB LYS A 84 9.354 5.404 -8.946 1.00 0.00 C ATOM 577 CG LYS A 84 10.660 4.885 -8.371 1.00 0.00 C ATOM 578 CD LYS A 84 11.338 3.910 -9.319 1.00 0.00 C ATOM 579 CE LYS A 84 12.291 4.626 -10.265 1.00 0.00 C ATOM 580 NZ LYS A 84 13.669 4.710 -9.706 1.00 0.00 N ATOM 0 H LYS A 84 6.653 6.026 -8.323 1.00 0.00 H new ATOM 0 HA LYS A 84 8.171 3.613 -9.094 1.00 0.00 H new ATOM 0 HB2 LYS A 84 9.432 5.435 -10.033 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.200 6.429 -8.608 1.00 0.00 H new ATOM 0 HG2 LYS A 84 11.328 5.722 -8.170 1.00 0.00 H new ATOM 0 HG3 LYS A 84 10.469 4.393 -7.417 1.00 0.00 H new ATOM 0 HD2 LYS A 84 11.886 3.163 -8.744 1.00 0.00 H new ATOM 0 HD3 LYS A 84 10.583 3.377 -9.896 1.00 0.00 H new ATOM 0 HE2 LYS A 84 12.318 4.101 -11.220 1.00 0.00 H new ATOM 0 HE3 LYS A 84 11.918 5.631 -10.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 14.288 5.204 -10.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 13.648 5.233 -8.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 14.035 3.751 -9.539 1.00 0.00 H new ATOM 594 N VAL A 85 8.701 3.113 -6.697 1.00 0.00 N ATOM 595 CA VAL A 85 8.789 2.717 -5.296 1.00 0.00 C ATOM 596 C VAL A 85 10.159 3.046 -4.716 1.00 0.00 C ATOM 597 O VAL A 85 11.109 2.275 -4.860 1.00 0.00 O ATOM 598 CB VAL A 85 8.517 1.212 -5.121 1.00 0.00 C ATOM 599 CG1 VAL A 85 8.904 0.759 -3.722 1.00 0.00 C ATOM 600 CG2 VAL A 85 7.056 0.897 -5.406 1.00 0.00 C ATOM 0 H VAL A 85 9.084 2.432 -7.352 1.00 0.00 H new ATOM 0 HA VAL A 85 8.027 3.282 -4.759 1.00 0.00 H new ATOM 0 HB VAL A 85 9.129 0.665 -5.838 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.705 -0.307 -3.617 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.965 0.948 -3.559 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.320 1.312 -2.986 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.882 -0.171 -5.277 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.422 1.453 -4.715 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.815 1.183 -6.430 1.00 0.00 H new ATOM 610 N THR A 86 10.258 4.198 -4.060 1.00 0.00 N ATOM 611 CA THR A 86 11.513 4.630 -3.458 1.00 0.00 C ATOM 612 C THR A 86 11.644 4.114 -2.029 1.00 0.00 C ATOM 613 O THR A 86 12.726 3.716 -1.600 1.00 0.00 O ATOM 614 CB THR A 86 11.632 6.166 -3.450 1.00 0.00 C ATOM 615 OG1 THR A 86 10.446 6.747 -2.896 1.00 0.00 O ATOM 616 CG2 THR A 86 11.854 6.699 -4.857 1.00 0.00 C ATOM 0 H THR A 86 9.483 4.849 -3.932 1.00 0.00 H new ATOM 0 HA THR A 86 12.316 4.213 -4.067 1.00 0.00 H new ATOM 0 HB THR A 86 12.490 6.438 -2.836 1.00 0.00 H new ATOM 0 HG1 THR A 86 10.531 7.723 -2.893 1.00 0.00 H new ATOM 0 HG21 THR A 86 11.935 7.786 -4.826 1.00 0.00 H new ATOM 0 HG22 THR A 86 12.773 6.278 -5.265 1.00 0.00 H new ATOM 0 HG23 THR A 86 11.013 6.416 -5.490 1.00 0.00 H new ATOM 624 N ASN A 87 10.535 4.123 -1.298 1.00 0.00 N ATOM 625 CA ASN A 87 10.527 3.655 0.084 1.00 0.00 C ATOM 626 C ASN A 87 9.418 2.631 0.305 1.00 0.00 C ATOM 627 O ASN A 87 8.257 2.880 -0.022 1.00 0.00 O ATOM 628 CB ASN A 87 10.348 4.834 1.042 1.00 0.00 C ATOM 629 CG ASN A 87 11.555 5.750 1.064 1.00 0.00 C ATOM 630 OD1 ASN A 87 12.446 5.642 0.221 1.00 0.00 O ATOM 631 ND2 ASN A 87 11.592 6.658 2.033 1.00 0.00 N ATOM 0 H ASN A 87 9.630 4.449 -1.638 1.00 0.00 H new ATOM 0 HA ASN A 87 11.485 3.175 0.285 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.467 5.405 0.750 1.00 0.00 H new ATOM 0 HB3 ASN A 87 10.164 4.456 2.048 1.00 0.00 H new ATOM 0 HD21 ASN A 87 12.381 7.301 2.099 1.00 0.00 H new ATOM 0 HD22 ASN A 87 10.831 6.712 2.711 1.00 0.00 H new ATOM 638 N ILE A 88 9.783 1.482 0.862 1.00 0.00 N ATOM 639 CA ILE A 88 8.819 0.422 1.128 1.00 0.00 C ATOM 640 C ILE A 88 9.142 -0.301 2.432 1.00 0.00 C ATOM 641 O ILE A 88 10.299 -0.364 2.848 1.00 0.00 O ATOM 642 CB ILE A 88 8.779 -0.605 -0.019 1.00 0.00 C ATOM 643 CG1 ILE A 88 7.872 -1.780 0.350 1.00 0.00 C ATOM 644 CG2 ILE A 88 10.184 -1.095 -0.339 1.00 0.00 C ATOM 645 CD1 ILE A 88 7.740 -2.811 -0.750 1.00 0.00 C ATOM 0 H ILE A 88 10.740 1.261 1.138 1.00 0.00 H new ATOM 0 HA ILE A 88 7.842 0.899 1.212 1.00 0.00 H new ATOM 0 HB ILE A 88 8.372 -0.121 -0.906 1.00 0.00 H new ATOM 0 HG12 ILE A 88 8.264 -2.264 1.245 1.00 0.00 H new ATOM 0 HG13 ILE A 88 6.882 -1.399 0.601 1.00 0.00 H new ATOM 0 HG21 ILE A 88 10.140 -1.820 -1.151 1.00 0.00 H new ATOM 0 HG22 ILE A 88 10.804 -0.251 -0.639 1.00 0.00 H new ATOM 0 HG23 ILE A 88 10.615 -1.566 0.545 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.083 -3.615 -0.418 1.00 0.00 H new ATOM 0 HD12 ILE A 88 7.320 -2.342 -1.640 1.00 0.00 H new ATOM 0 HD13 ILE A 88 8.723 -3.220 -0.985 1.00 0.00 H new ATOM 657 N LEU A 89 8.112 -0.845 3.070 1.00 0.00 N ATOM 658 CA LEU A 89 8.286 -1.567 4.326 1.00 0.00 C ATOM 659 C LEU A 89 7.390 -2.799 4.376 1.00 0.00 C ATOM 660 O LEU A 89 6.190 -2.717 4.113 1.00 0.00 O ATOM 661 CB LEU A 89 7.977 -0.649 5.511 1.00 0.00 C ATOM 662 CG LEU A 89 8.295 -1.211 6.897 1.00 0.00 C ATOM 663 CD1 LEU A 89 9.794 -1.410 7.060 1.00 0.00 C ATOM 664 CD2 LEU A 89 7.756 -0.291 7.983 1.00 0.00 C ATOM 0 H LEU A 89 7.148 -0.800 2.739 1.00 0.00 H new ATOM 0 HA LEU A 89 9.324 -1.894 4.387 1.00 0.00 H new ATOM 0 HB2 LEU A 89 8.534 0.279 5.381 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.918 -0.392 5.479 1.00 0.00 H new ATOM 0 HG LEU A 89 7.807 -2.181 6.996 1.00 0.00 H new ATOM 0 HD11 LEU A 89 10.002 -1.811 8.052 1.00 0.00 H new ATOM 0 HD12 LEU A 89 10.153 -2.109 6.304 1.00 0.00 H new ATOM 0 HD13 LEU A 89 10.303 -0.454 6.941 1.00 0.00 H new ATOM 0 HD21 LEU A 89 7.992 -0.707 8.962 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.215 0.693 7.887 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.675 -0.199 7.878 1.00 0.00 H new ATOM 676 N MET A 90 7.979 -3.940 4.717 1.00 0.00 N ATOM 677 CA MET A 90 7.232 -5.189 4.803 1.00 0.00 C ATOM 678 C MET A 90 7.515 -5.902 6.123 1.00 0.00 C ATOM 679 O MET A 90 8.670 -6.159 6.465 1.00 0.00 O ATOM 680 CB MET A 90 7.588 -6.104 3.630 1.00 0.00 C ATOM 681 CG MET A 90 7.070 -7.525 3.788 1.00 0.00 C ATOM 682 SD MET A 90 7.024 -8.425 2.227 1.00 0.00 S ATOM 683 CE MET A 90 5.655 -7.610 1.407 1.00 0.00 C ATOM 0 H MET A 90 8.971 -4.026 4.938 1.00 0.00 H new ATOM 0 HA MET A 90 6.169 -4.951 4.759 1.00 0.00 H new ATOM 0 HB2 MET A 90 7.183 -5.678 2.712 1.00 0.00 H new ATOM 0 HB3 MET A 90 8.672 -6.132 3.517 1.00 0.00 H new ATOM 0 HG2 MET A 90 7.703 -8.062 4.494 1.00 0.00 H new ATOM 0 HG3 MET A 90 6.068 -7.497 4.216 1.00 0.00 H new ATOM 0 HE1 MET A 90 5.159 -8.315 0.740 1.00 0.00 H new ATOM 0 HE2 MET A 90 4.944 -7.254 2.153 1.00 0.00 H new ATOM 0 HE3 MET A 90 6.028 -6.765 0.829 1.00 0.00 H new ATOM 693 N LEU A 91 6.456 -6.218 6.859 1.00 0.00 N ATOM 694 CA LEU A 91 6.591 -6.900 8.141 1.00 0.00 C ATOM 695 C LEU A 91 6.519 -8.414 7.962 1.00 0.00 C ATOM 696 O LEU A 91 5.520 -8.946 7.481 1.00 0.00 O ATOM 697 CB LEU A 91 5.497 -6.436 9.106 1.00 0.00 C ATOM 698 CG LEU A 91 5.305 -4.925 9.225 1.00 0.00 C ATOM 699 CD1 LEU A 91 4.011 -4.607 9.958 1.00 0.00 C ATOM 700 CD2 LEU A 91 6.492 -4.291 9.935 1.00 0.00 C ATOM 0 H LEU A 91 5.494 -6.013 6.590 1.00 0.00 H new ATOM 0 HA LEU A 91 7.566 -6.648 8.558 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.552 -6.879 8.792 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.721 -6.833 10.096 1.00 0.00 H new ATOM 0 HG LEU A 91 5.242 -4.506 8.221 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.892 -3.526 10.033 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.169 -5.028 9.409 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.044 -5.039 10.958 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.338 -3.215 10.011 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.587 -4.715 10.935 1.00 0.00 H new ATOM 0 HD23 LEU A 91 7.402 -4.488 9.369 1.00 0.00 H new ATOM 763 N ASN A 95 0.986 -9.697 8.181 1.00 0.00 N ATOM 764 CA ASN A 95 0.837 -9.640 6.731 1.00 0.00 C ATOM 765 C ASN A 95 0.549 -8.215 6.270 1.00 0.00 C ATOM 766 O ASN A 95 -0.327 -7.989 5.434 1.00 0.00 O ATOM 767 CB ASN A 95 -0.285 -10.574 6.275 1.00 0.00 C ATOM 768 CG ASN A 95 -0.119 -11.983 6.811 1.00 0.00 C ATOM 769 OD1 ASN A 95 0.706 -12.231 7.690 1.00 0.00 O ATOM 770 ND2 ASN A 95 -0.904 -12.913 6.281 1.00 0.00 N ATOM 0 HA ASN A 95 1.775 -9.965 6.281 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -1.244 -10.174 6.605 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -0.309 -10.603 5.186 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -0.837 -13.879 6.601 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -1.574 -12.661 5.554 1.00 0.00 H new ATOM 777 N GLN A 96 1.289 -7.259 6.819 1.00 0.00 N ATOM 778 CA GLN A 96 1.112 -5.856 6.463 1.00 0.00 C ATOM 779 C GLN A 96 2.378 -5.291 5.826 1.00 0.00 C ATOM 780 O GLN A 96 3.473 -5.815 6.028 1.00 0.00 O ATOM 781 CB GLN A 96 0.740 -5.037 7.700 1.00 0.00 C ATOM 782 CG GLN A 96 -0.721 -5.164 8.098 1.00 0.00 C ATOM 783 CD GLN A 96 -1.031 -6.489 8.767 1.00 0.00 C ATOM 784 OE1 GLN A 96 -0.887 -6.633 9.981 1.00 0.00 O ATOM 785 NE2 GLN A 96 -1.460 -7.465 7.977 1.00 0.00 N ATOM 0 H GLN A 96 2.017 -7.430 7.512 1.00 0.00 H new ATOM 0 HA GLN A 96 0.302 -5.792 5.736 1.00 0.00 H new ATOM 0 HB2 GLN A 96 1.364 -5.353 8.536 1.00 0.00 H new ATOM 0 HB3 GLN A 96 0.967 -3.988 7.512 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -0.981 -4.350 8.775 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -1.346 -5.054 7.212 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -1.565 -7.302 6.976 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -1.685 -8.378 8.371 1.00 0.00 H new ATOM 794 N ALA A 97 2.219 -4.219 5.057 1.00 0.00 N ATOM 795 CA ALA A 97 3.349 -3.583 4.392 1.00 0.00 C ATOM 796 C ALA A 97 2.999 -2.166 3.950 1.00 0.00 C ATOM 797 O ALA A 97 1.885 -1.904 3.496 1.00 0.00 O ATOM 798 CB ALA A 97 3.796 -4.414 3.198 1.00 0.00 C ATOM 0 H ALA A 97 1.319 -3.773 4.879 1.00 0.00 H new ATOM 0 HA ALA A 97 4.170 -3.521 5.106 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.641 -3.927 2.711 1.00 0.00 H new ATOM 0 HB2 ALA A 97 4.095 -5.406 3.537 1.00 0.00 H new ATOM 0 HB3 ALA A 97 2.973 -4.506 2.490 1.00 0.00 H new ATOM 804 N PHE A 98 3.957 -1.256 4.087 1.00 0.00 N ATOM 805 CA PHE A 98 3.749 0.136 3.703 1.00 0.00 C ATOM 806 C PHE A 98 4.575 0.489 2.469 1.00 0.00 C ATOM 807 O PHE A 98 5.794 0.317 2.454 1.00 0.00 O ATOM 808 CB PHE A 98 4.117 1.068 4.861 1.00 0.00 C ATOM 809 CG PHE A 98 3.445 0.709 6.155 1.00 0.00 C ATOM 810 CD1 PHE A 98 3.945 -0.306 6.954 1.00 0.00 C ATOM 811 CD2 PHE A 98 2.312 1.389 6.573 1.00 0.00 C ATOM 812 CE1 PHE A 98 3.327 -0.637 8.145 1.00 0.00 C ATOM 813 CE2 PHE A 98 1.689 1.062 7.763 1.00 0.00 C ATOM 814 CZ PHE A 98 2.198 0.048 8.551 1.00 0.00 C ATOM 0 H PHE A 98 4.885 -1.457 4.461 1.00 0.00 H new ATOM 0 HA PHE A 98 2.694 0.266 3.462 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.197 1.048 5.004 1.00 0.00 H new ATOM 0 HB3 PHE A 98 3.850 2.090 4.593 1.00 0.00 H new ATOM 0 HD1 PHE A 98 4.828 -0.845 6.643 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.911 2.184 5.962 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.727 -1.431 8.758 1.00 0.00 H new ATOM 0 HE2 PHE A 98 0.806 1.599 8.076 1.00 0.00 H new ATOM 0 HZ PHE A 98 1.715 -0.209 9.482 1.00 0.00 H new ATOM 824 N LEU A 99 3.901 0.983 1.437 1.00 0.00 N ATOM 825 CA LEU A 99 4.571 1.361 0.197 1.00 0.00 C ATOM 826 C LEU A 99 4.513 2.871 -0.015 1.00 0.00 C ATOM 827 O LEU A 99 3.493 3.506 0.248 1.00 0.00 O ATOM 828 CB LEU A 99 3.929 0.644 -0.992 1.00 0.00 C ATOM 829 CG LEU A 99 4.759 0.595 -2.275 1.00 0.00 C ATOM 830 CD1 LEU A 99 5.985 -0.285 -2.084 1.00 0.00 C ATOM 831 CD2 LEU A 99 3.916 0.092 -3.437 1.00 0.00 C ATOM 0 H LEU A 99 2.892 1.131 1.434 1.00 0.00 H new ATOM 0 HA LEU A 99 5.617 1.062 0.273 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.699 -0.379 -0.693 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.980 1.132 -1.215 1.00 0.00 H new ATOM 0 HG LEU A 99 5.095 1.606 -2.506 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.564 -0.308 -3.007 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.601 0.118 -1.280 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.670 -1.297 -1.828 1.00 0.00 H new ATOM 0 HD21 LEU A 99 4.523 0.064 -4.342 1.00 0.00 H new ATOM 0 HD22 LEU A 99 3.550 -0.910 -3.214 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.069 0.762 -3.589 1.00 0.00 H new ATOM 843 N GLU A 100 5.616 3.438 -0.495 1.00 0.00 N ATOM 844 CA GLU A 100 5.690 4.873 -0.743 1.00 0.00 C ATOM 845 C GLU A 100 6.133 5.155 -2.176 1.00 0.00 C ATOM 846 O GLU A 100 6.953 4.428 -2.738 1.00 0.00 O ATOM 847 CB GLU A 100 6.656 5.535 0.241 1.00 0.00 C ATOM 848 CG GLU A 100 6.901 7.008 -0.042 1.00 0.00 C ATOM 849 CD GLU A 100 7.699 7.688 1.053 1.00 0.00 C ATOM 850 OE1 GLU A 100 7.683 7.188 2.197 1.00 0.00 O ATOM 851 OE2 GLU A 100 8.339 8.721 0.765 1.00 0.00 O ATOM 0 H GLU A 100 6.469 2.926 -0.719 1.00 0.00 H new ATOM 0 HA GLU A 100 4.694 5.292 -0.599 1.00 0.00 H new ATOM 0 HB2 GLU A 100 6.261 5.429 1.251 1.00 0.00 H new ATOM 0 HB3 GLU A 100 7.608 5.005 0.214 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.431 7.109 -0.989 1.00 0.00 H new ATOM 0 HG3 GLU A 100 5.944 7.516 -0.157 1.00 0.00 H new ATOM 858 N LEU A 101 5.585 6.215 -2.761 1.00 0.00 N ATOM 859 CA LEU A 101 5.921 6.594 -4.128 1.00 0.00 C ATOM 860 C LEU A 101 6.608 7.956 -4.162 1.00 0.00 C ATOM 861 O LEU A 101 6.252 8.860 -3.408 1.00 0.00 O ATOM 862 CB LEU A 101 4.662 6.623 -4.995 1.00 0.00 C ATOM 863 CG LEU A 101 4.051 5.264 -5.337 1.00 0.00 C ATOM 864 CD1 LEU A 101 3.223 4.743 -4.173 1.00 0.00 C ATOM 865 CD2 LEU A 101 3.202 5.363 -6.596 1.00 0.00 C ATOM 0 H LEU A 101 4.906 6.827 -2.309 1.00 0.00 H new ATOM 0 HA LEU A 101 6.611 5.850 -4.526 1.00 0.00 H new ATOM 0 HB2 LEU A 101 3.907 7.220 -4.484 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.898 7.137 -5.926 1.00 0.00 H new ATOM 0 HG LEU A 101 4.861 4.559 -5.524 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.796 3.775 -4.435 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.859 4.634 -3.294 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.420 5.447 -3.954 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.775 4.387 -6.825 1.00 0.00 H new ATOM 0 HD22 LEU A 101 2.399 6.082 -6.437 1.00 0.00 H new ATOM 0 HD23 LEU A 101 3.824 5.691 -7.429 1.00 0.00 H new ATOM 877 N ALA A 102 7.593 8.095 -5.044 1.00 0.00 N ATOM 878 CA ALA A 102 8.326 9.346 -5.180 1.00 0.00 C ATOM 879 C ALA A 102 7.389 10.546 -5.077 1.00 0.00 C ATOM 880 O ALA A 102 7.664 11.502 -4.351 1.00 0.00 O ATOM 881 CB ALA A 102 9.082 9.376 -6.500 1.00 0.00 C ATOM 0 H ALA A 102 7.901 7.355 -5.675 1.00 0.00 H new ATOM 0 HA ALA A 102 9.044 9.407 -4.362 1.00 0.00 H new ATOM 0 HB1 ALA A 102 9.625 10.317 -6.587 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.787 8.546 -6.534 1.00 0.00 H new ATOM 0 HB3 ALA A 102 8.376 9.287 -7.326 1.00 0.00 H new ATOM 887 N THR A 103 6.281 10.489 -5.809 1.00 0.00 N ATOM 888 CA THR A 103 5.304 11.571 -5.802 1.00 0.00 C ATOM 889 C THR A 103 4.073 11.194 -4.987 1.00 0.00 C ATOM 890 O THR A 103 3.857 10.023 -4.677 1.00 0.00 O ATOM 891 CB THR A 103 4.865 11.941 -7.231 1.00 0.00 C ATOM 892 OG1 THR A 103 4.366 10.781 -7.906 1.00 0.00 O ATOM 893 CG2 THR A 103 6.026 12.530 -8.018 1.00 0.00 C ATOM 0 H THR A 103 6.038 9.705 -6.414 1.00 0.00 H new ATOM 0 HA THR A 103 5.790 12.433 -5.345 1.00 0.00 H new ATOM 0 HB THR A 103 4.075 12.689 -7.162 1.00 0.00 H new ATOM 0 HG1 THR A 103 3.640 11.041 -8.511 1.00 0.00 H new ATOM 0 HG21 THR A 103 5.692 12.784 -9.024 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.386 13.429 -7.518 1.00 0.00 H new ATOM 0 HG23 THR A 103 6.833 11.800 -8.077 1.00 0.00 H new ATOM 901 N GLU A 104 3.269 12.195 -4.642 1.00 0.00 N ATOM 902 CA GLU A 104 2.058 11.966 -3.861 1.00 0.00 C ATOM 903 C GLU A 104 0.863 11.707 -4.774 1.00 0.00 C ATOM 904 O GLU A 104 0.096 10.769 -4.557 1.00 0.00 O ATOM 905 CB GLU A 104 1.772 13.168 -2.958 1.00 0.00 C ATOM 906 CG GLU A 104 0.507 13.020 -2.130 1.00 0.00 C ATOM 907 CD GLU A 104 0.052 14.333 -1.522 1.00 0.00 C ATOM 908 OE1 GLU A 104 0.141 15.371 -2.211 1.00 0.00 O ATOM 909 OE2 GLU A 104 -0.395 14.322 -0.355 1.00 0.00 O ATOM 0 H GLU A 104 3.434 13.171 -4.890 1.00 0.00 H new ATOM 0 HA GLU A 104 2.218 11.084 -3.241 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.619 13.318 -2.288 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.690 14.063 -3.574 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -0.289 12.619 -2.758 1.00 0.00 H new ATOM 0 HG3 GLU A 104 0.681 12.296 -1.334 1.00 0.00 H new ATOM 916 N GLU A 105 0.712 12.545 -5.795 1.00 0.00 N ATOM 917 CA GLU A 105 -0.390 12.406 -6.739 1.00 0.00 C ATOM 918 C GLU A 105 -0.540 10.957 -7.193 1.00 0.00 C ATOM 919 O GLU A 105 -1.633 10.515 -7.544 1.00 0.00 O ATOM 920 CB GLU A 105 -0.168 13.311 -7.953 1.00 0.00 C ATOM 921 CG GLU A 105 1.200 13.146 -8.593 1.00 0.00 C ATOM 922 CD GLU A 105 1.210 12.093 -9.683 1.00 0.00 C ATOM 923 OE1 GLU A 105 0.258 12.063 -10.490 1.00 0.00 O ATOM 924 OE2 GLU A 105 2.172 11.297 -9.730 1.00 0.00 O ATOM 0 H GLU A 105 1.338 13.326 -5.989 1.00 0.00 H new ATOM 0 HA GLU A 105 -1.307 12.706 -6.233 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -0.936 13.101 -8.698 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -0.295 14.350 -7.649 1.00 0.00 H new ATOM 0 HG2 GLU A 105 1.519 14.100 -9.012 1.00 0.00 H new ATOM 0 HG3 GLU A 105 1.926 12.877 -7.826 1.00 0.00 H new ATOM 931 N ALA A 106 0.567 10.223 -7.182 1.00 0.00 N ATOM 932 CA ALA A 106 0.560 8.824 -7.590 1.00 0.00 C ATOM 933 C ALA A 106 -0.119 7.949 -6.541 1.00 0.00 C ATOM 934 O ALA A 106 -0.913 7.070 -6.873 1.00 0.00 O ATOM 935 CB ALA A 106 1.981 8.340 -7.844 1.00 0.00 C ATOM 0 H ALA A 106 1.481 10.574 -6.895 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.010 8.745 -8.516 1.00 0.00 H new ATOM 0 HB1 ALA A 106 1.960 7.293 -8.148 1.00 0.00 H new ATOM 0 HB2 ALA A 106 2.433 8.939 -8.635 1.00 0.00 H new ATOM 0 HB3 ALA A 106 2.568 8.441 -6.931 1.00 0.00 H new ATOM 941 N ALA A 107 0.200 8.197 -5.275 1.00 0.00 N ATOM 942 CA ALA A 107 -0.381 7.433 -4.178 1.00 0.00 C ATOM 943 C ALA A 107 -1.904 7.519 -4.195 1.00 0.00 C ATOM 944 O ALA A 107 -2.593 6.523 -3.971 1.00 0.00 O ATOM 945 CB ALA A 107 0.163 7.926 -2.845 1.00 0.00 C ATOM 0 H ALA A 107 0.857 8.921 -4.984 1.00 0.00 H new ATOM 0 HA ALA A 107 -0.101 6.388 -4.308 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -0.279 7.347 -2.035 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.246 7.806 -2.827 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -0.088 8.979 -2.717 1.00 0.00 H new ATOM 951 N ILE A 108 -2.421 8.713 -4.461 1.00 0.00 N ATOM 952 CA ILE A 108 -3.862 8.927 -4.507 1.00 0.00 C ATOM 953 C ILE A 108 -4.504 8.112 -5.625 1.00 0.00 C ATOM 954 O ILE A 108 -5.499 7.418 -5.411 1.00 0.00 O ATOM 955 CB ILE A 108 -4.204 10.416 -4.712 1.00 0.00 C ATOM 956 CG1 ILE A 108 -3.703 11.244 -3.527 1.00 0.00 C ATOM 957 CG2 ILE A 108 -5.704 10.594 -4.894 1.00 0.00 C ATOM 958 CD1 ILE A 108 -3.612 12.725 -3.821 1.00 0.00 C ATOM 0 H ILE A 108 -1.864 9.547 -4.648 1.00 0.00 H new ATOM 0 HA ILE A 108 -4.260 8.599 -3.547 1.00 0.00 H new ATOM 0 HB ILE A 108 -3.704 10.768 -5.614 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -4.370 11.090 -2.679 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -2.720 10.880 -3.229 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -5.930 11.651 -5.038 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -6.034 10.030 -5.767 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -6.224 10.229 -4.008 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -3.250 13.250 -2.937 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -2.922 12.890 -4.649 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -4.598 13.104 -4.090 1.00 0.00 H new ATOM 970 N THR A 109 -3.927 8.198 -6.820 1.00 0.00 N ATOM 971 CA THR A 109 -4.441 7.468 -7.971 1.00 0.00 C ATOM 972 C THR A 109 -4.383 5.963 -7.739 1.00 0.00 C ATOM 973 O THR A 109 -5.378 5.259 -7.909 1.00 0.00 O ATOM 974 CB THR A 109 -3.655 7.810 -9.250 1.00 0.00 C ATOM 975 OG1 THR A 109 -3.635 9.227 -9.450 1.00 0.00 O ATOM 976 CG2 THR A 109 -4.272 7.131 -10.464 1.00 0.00 C ATOM 0 H THR A 109 -3.103 8.767 -7.015 1.00 0.00 H new ATOM 0 HA THR A 109 -5.480 7.773 -8.100 1.00 0.00 H new ATOM 0 HB THR A 109 -2.635 7.446 -9.129 1.00 0.00 H new ATOM 0 HG1 THR A 109 -2.991 9.635 -8.834 1.00 0.00 H new ATOM 0 HG21 THR A 109 -3.699 7.388 -11.355 1.00 0.00 H new ATOM 0 HG22 THR A 109 -4.258 6.050 -10.323 1.00 0.00 H new ATOM 0 HG23 THR A 109 -5.302 7.468 -10.585 1.00 0.00 H new ATOM 984 N MET A 110 -3.210 5.474 -7.349 1.00 0.00 N ATOM 985 CA MET A 110 -3.022 4.051 -7.091 1.00 0.00 C ATOM 986 C MET A 110 -4.282 3.437 -6.489 1.00 0.00 C ATOM 987 O MET A 110 -4.816 2.456 -7.007 1.00 0.00 O ATOM 988 CB MET A 110 -1.835 3.833 -6.151 1.00 0.00 C ATOM 989 CG MET A 110 -1.770 2.430 -5.570 1.00 0.00 C ATOM 990 SD MET A 110 -0.089 1.926 -5.158 1.00 0.00 S ATOM 991 CE MET A 110 -0.349 0.212 -4.710 1.00 0.00 C ATOM 0 H MET A 110 -2.375 6.042 -7.205 1.00 0.00 H new ATOM 0 HA MET A 110 -2.818 3.559 -8.042 1.00 0.00 H new ATOM 0 HB2 MET A 110 -0.911 4.036 -6.692 1.00 0.00 H new ATOM 0 HB3 MET A 110 -1.891 4.553 -5.335 1.00 0.00 H new ATOM 0 HG2 MET A 110 -2.389 2.383 -4.674 1.00 0.00 H new ATOM 0 HG3 MET A 110 -2.191 1.725 -6.286 1.00 0.00 H new ATOM 0 HE1 MET A 110 0.603 -0.239 -4.429 1.00 0.00 H new ATOM 0 HE2 MET A 110 -1.039 0.157 -3.868 1.00 0.00 H new ATOM 0 HE3 MET A 110 -0.769 -0.326 -5.559 1.00 0.00 H new ATOM 1001 N VAL A 111 -4.753 4.020 -5.391 1.00 0.00 N ATOM 1002 CA VAL A 111 -5.950 3.531 -4.719 1.00 0.00 C ATOM 1003 C VAL A 111 -7.182 3.691 -5.603 1.00 0.00 C ATOM 1004 O VAL A 111 -7.906 2.730 -5.856 1.00 0.00 O ATOM 1005 CB VAL A 111 -6.188 4.270 -3.389 1.00 0.00 C ATOM 1006 CG1 VAL A 111 -7.422 3.721 -2.686 1.00 0.00 C ATOM 1007 CG2 VAL A 111 -4.963 4.162 -2.493 1.00 0.00 C ATOM 0 H VAL A 111 -4.323 4.832 -4.948 1.00 0.00 H new ATOM 0 HA VAL A 111 -5.788 2.473 -4.515 1.00 0.00 H new ATOM 0 HB VAL A 111 -6.361 5.324 -3.605 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -7.574 4.255 -1.748 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -8.295 3.854 -3.325 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -7.282 2.660 -2.480 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -5.149 4.690 -1.558 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -4.757 3.112 -2.283 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -4.104 4.606 -2.996 1.00 0.00 H new ATOM 1017 N ASN A 112 -7.411 4.913 -6.073 1.00 0.00 N ATOM 1018 CA ASN A 112 -8.556 5.199 -6.931 1.00 0.00 C ATOM 1019 C ASN A 112 -8.714 4.126 -8.003 1.00 0.00 C ATOM 1020 O ASN A 112 -9.799 3.574 -8.189 1.00 0.00 O ATOM 1021 CB ASN A 112 -8.396 6.572 -7.587 1.00 0.00 C ATOM 1022 CG ASN A 112 -8.242 7.685 -6.568 1.00 0.00 C ATOM 1023 OD1 ASN A 112 -7.342 8.519 -6.676 1.00 0.00 O ATOM 1024 ND2 ASN A 112 -9.120 7.703 -5.573 1.00 0.00 N ATOM 0 H ASN A 112 -6.820 5.720 -5.875 1.00 0.00 H new ATOM 0 HA ASN A 112 -9.452 5.202 -6.311 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -7.525 6.559 -8.242 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -9.264 6.775 -8.215 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -9.065 8.428 -4.858 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -9.849 6.992 -5.523 1.00 0.00 H new ATOM 1031 N TYR A 113 -7.625 3.835 -8.706 1.00 0.00 N ATOM 1032 CA TYR A 113 -7.643 2.829 -9.762 1.00 0.00 C ATOM 1033 C TYR A 113 -8.303 1.542 -9.277 1.00 0.00 C ATOM 1034 O TYR A 113 -9.202 1.009 -9.928 1.00 0.00 O ATOM 1035 CB TYR A 113 -6.219 2.535 -10.240 1.00 0.00 C ATOM 1036 CG TYR A 113 -6.122 1.332 -11.149 1.00 0.00 C ATOM 1037 CD1 TYR A 113 -6.052 0.046 -10.629 1.00 0.00 C ATOM 1038 CD2 TYR A 113 -6.101 1.481 -12.531 1.00 0.00 C ATOM 1039 CE1 TYR A 113 -5.962 -1.057 -11.457 1.00 0.00 C ATOM 1040 CE2 TYR A 113 -6.013 0.385 -13.367 1.00 0.00 C ATOM 1041 CZ TYR A 113 -5.944 -0.881 -12.824 1.00 0.00 C ATOM 1042 OH TYR A 113 -5.855 -1.977 -13.653 1.00 0.00 O ATOM 0 H TYR A 113 -6.719 4.281 -8.564 1.00 0.00 H new ATOM 0 HA TYR A 113 -8.225 3.224 -10.595 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -5.833 3.409 -10.765 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -5.579 2.377 -9.372 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -6.068 -0.095 -9.558 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -6.154 2.471 -12.959 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -5.906 -2.050 -11.036 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -5.998 0.518 -14.439 1.00 0.00 H new ATOM 0 HH TYR A 113 -5.855 -1.681 -14.587 1.00 0.00 H new ATOM 1052 N TYR A 114 -7.852 1.050 -8.128 1.00 0.00 N ATOM 1053 CA TYR A 114 -8.397 -0.175 -7.556 1.00 0.00 C ATOM 1054 C TYR A 114 -9.829 0.038 -7.076 1.00 0.00 C ATOM 1055 O TYR A 114 -10.631 -0.895 -7.048 1.00 0.00 O ATOM 1056 CB TYR A 114 -7.524 -0.652 -6.394 1.00 0.00 C ATOM 1057 CG TYR A 114 -6.212 -1.263 -6.833 1.00 0.00 C ATOM 1058 CD1 TYR A 114 -6.177 -2.274 -7.784 1.00 0.00 C ATOM 1059 CD2 TYR A 114 -5.007 -0.828 -6.295 1.00 0.00 C ATOM 1060 CE1 TYR A 114 -4.982 -2.836 -8.187 1.00 0.00 C ATOM 1061 CE2 TYR A 114 -3.806 -1.382 -6.693 1.00 0.00 C ATOM 1062 CZ TYR A 114 -3.799 -2.386 -7.639 1.00 0.00 C ATOM 1063 OH TYR A 114 -2.604 -2.941 -8.039 1.00 0.00 O ATOM 0 H TYR A 114 -7.111 1.481 -7.575 1.00 0.00 H new ATOM 0 HA TYR A 114 -8.404 -0.938 -8.335 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -7.320 0.191 -5.734 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -8.080 -1.386 -5.811 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -7.101 -2.627 -8.216 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -5.010 -0.043 -5.553 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -4.974 -3.623 -8.927 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -2.878 -1.031 -6.266 1.00 0.00 H new ATOM 0 HH TYR A 114 -1.866 -2.511 -7.558 1.00 0.00 H new ATOM 1073 N SER A 115 -10.143 1.274 -6.700 1.00 0.00 N ATOM 1074 CA SER A 115 -11.478 1.610 -6.219 1.00 0.00 C ATOM 1075 C SER A 115 -12.544 0.845 -6.996 1.00 0.00 C ATOM 1076 O SER A 115 -13.598 0.508 -6.457 1.00 0.00 O ATOM 1077 CB SER A 115 -11.722 3.115 -6.343 1.00 0.00 C ATOM 1078 OG SER A 115 -12.888 3.502 -5.635 1.00 0.00 O ATOM 0 H SER A 115 -9.491 2.059 -6.719 1.00 0.00 H new ATOM 0 HA SER A 115 -11.543 1.323 -5.169 1.00 0.00 H new ATOM 0 HB2 SER A 115 -10.860 3.659 -5.957 1.00 0.00 H new ATOM 0 HB3 SER A 115 -11.824 3.385 -7.394 1.00 0.00 H new ATOM 0 HG SER A 115 -13.022 4.468 -5.728 1.00 0.00 H new ATOM 1084 N ALA A 116 -12.263 0.574 -8.266 1.00 0.00 N ATOM 1085 CA ALA A 116 -13.196 -0.152 -9.118 1.00 0.00 C ATOM 1086 C ALA A 116 -12.688 -1.559 -9.415 1.00 0.00 C ATOM 1087 O ALA A 116 -13.471 -2.501 -9.528 1.00 0.00 O ATOM 1088 CB ALA A 116 -13.432 0.611 -10.414 1.00 0.00 C ATOM 0 H ALA A 116 -11.395 0.847 -8.728 1.00 0.00 H new ATOM 0 HA ALA A 116 -14.142 -0.241 -8.584 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -14.131 0.057 -11.040 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -13.848 1.593 -10.188 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -12.487 0.730 -10.943 1.00 0.00 H new ATOM 1094 N VAL A 117 -11.372 -1.693 -9.540 1.00 0.00 N ATOM 1095 CA VAL A 117 -10.758 -2.985 -9.824 1.00 0.00 C ATOM 1096 C VAL A 117 -10.294 -3.666 -8.541 1.00 0.00 C ATOM 1097 O VAL A 117 -9.698 -3.034 -7.668 1.00 0.00 O ATOM 1098 CB VAL A 117 -9.557 -2.840 -10.778 1.00 0.00 C ATOM 1099 CG1 VAL A 117 -8.889 -4.187 -11.004 1.00 0.00 C ATOM 1100 CG2 VAL A 117 -9.998 -2.225 -12.098 1.00 0.00 C ATOM 0 H VAL A 117 -10.710 -0.923 -9.449 1.00 0.00 H new ATOM 0 HA VAL A 117 -11.521 -3.599 -10.304 1.00 0.00 H new ATOM 0 HB VAL A 117 -8.827 -2.173 -10.318 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -8.043 -4.065 -11.680 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -8.538 -4.583 -10.051 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -9.607 -4.880 -11.443 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -9.138 -2.130 -12.760 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -10.747 -2.865 -12.565 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -10.426 -1.239 -11.915 1.00 0.00 H new ATOM 1110 N THR A 118 -10.573 -4.962 -8.432 1.00 0.00 N ATOM 1111 CA THR A 118 -10.185 -5.730 -7.255 1.00 0.00 C ATOM 1112 C THR A 118 -9.001 -6.641 -7.559 1.00 0.00 C ATOM 1113 O THR A 118 -9.123 -7.645 -8.262 1.00 0.00 O ATOM 1114 CB THR A 118 -11.354 -6.585 -6.732 1.00 0.00 C ATOM 1115 OG1 THR A 118 -12.563 -5.817 -6.736 1.00 0.00 O ATOM 1116 CG2 THR A 118 -11.071 -7.087 -5.325 1.00 0.00 C ATOM 0 H THR A 118 -11.066 -5.501 -9.144 1.00 0.00 H new ATOM 0 HA THR A 118 -9.899 -5.010 -6.488 1.00 0.00 H new ATOM 0 HB THR A 118 -11.468 -7.446 -7.391 1.00 0.00 H new ATOM 0 HG1 THR A 118 -13.302 -6.368 -6.404 1.00 0.00 H new ATOM 0 HG21 THR A 118 -11.911 -7.688 -4.977 1.00 0.00 H new ATOM 0 HG22 THR A 118 -10.167 -7.696 -5.331 1.00 0.00 H new ATOM 0 HG23 THR A 118 -10.932 -6.237 -4.657 1.00 0.00 H new ATOM 1124 N PRO A 119 -7.826 -6.285 -7.018 1.00 0.00 N ATOM 1125 CA PRO A 119 -6.596 -7.059 -7.217 1.00 0.00 C ATOM 1126 C PRO A 119 -6.579 -8.341 -6.392 1.00 0.00 C ATOM 1127 O PRO A 119 -7.187 -8.413 -5.324 1.00 0.00 O ATOM 1128 CB PRO A 119 -5.497 -6.105 -6.744 1.00 0.00 C ATOM 1129 CG PRO A 119 -6.162 -5.226 -5.742 1.00 0.00 C ATOM 1130 CD PRO A 119 -7.607 -5.102 -6.170 1.00 0.00 C ATOM 0 HA PRO A 119 -6.481 -7.384 -8.251 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -4.664 -6.650 -6.301 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -5.093 -5.524 -7.573 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -6.089 -5.654 -4.742 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -5.683 -4.248 -5.706 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -8.279 -5.095 -5.312 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -7.783 -4.178 -6.720 1.00 0.00 H new ATOM 1138 N HIS A 120 -5.878 -9.353 -6.894 1.00 0.00 N ATOM 1139 CA HIS A 120 -5.782 -10.634 -6.203 1.00 0.00 C ATOM 1140 C HIS A 120 -4.424 -11.286 -6.455 1.00 0.00 C ATOM 1141 O HIS A 120 -4.054 -11.549 -7.600 1.00 0.00 O ATOM 1142 CB HIS A 120 -6.901 -11.570 -6.658 1.00 0.00 C ATOM 1143 CG HIS A 120 -8.217 -10.880 -6.848 1.00 0.00 C ATOM 1144 ND1 HIS A 120 -8.829 -10.749 -8.076 1.00 0.00 N ATOM 1145 CD2 HIS A 120 -9.041 -10.284 -5.954 1.00 0.00 C ATOM 1146 CE1 HIS A 120 -9.970 -10.100 -7.931 1.00 0.00 C ATOM 1147 NE2 HIS A 120 -10.122 -9.806 -6.652 1.00 0.00 N ATOM 0 H HIS A 120 -5.368 -9.311 -7.777 1.00 0.00 H new ATOM 0 HA HIS A 120 -5.886 -10.450 -5.134 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -6.609 -12.043 -7.596 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -7.020 -12.366 -5.923 1.00 0.00 H new ATOM 0 HD1 HIS A 120 -8.458 -11.099 -8.959 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -8.878 -10.200 -4.890 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -10.661 -9.852 -8.723 1.00 0.00 H new ATOM 1155 N LEU A 121 -3.688 -11.542 -5.379 1.00 0.00 N ATOM 1156 CA LEU A 121 -2.372 -12.162 -5.483 1.00 0.00 C ATOM 1157 C LEU A 121 -2.428 -13.631 -5.076 1.00 0.00 C ATOM 1158 O LEU A 121 -3.082 -13.989 -4.096 1.00 0.00 O ATOM 1159 CB LEU A 121 -1.364 -11.415 -4.606 1.00 0.00 C ATOM 1160 CG LEU A 121 -0.802 -10.117 -5.186 1.00 0.00 C ATOM 1161 CD1 LEU A 121 -0.212 -9.251 -4.082 1.00 0.00 C ATOM 1162 CD2 LEU A 121 0.246 -10.417 -6.248 1.00 0.00 C ATOM 0 H LEU A 121 -3.980 -11.330 -4.425 1.00 0.00 H new ATOM 0 HA LEU A 121 -2.052 -12.105 -6.523 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -1.841 -11.187 -3.653 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -0.531 -12.085 -4.393 1.00 0.00 H new ATOM 0 HG LEU A 121 -1.618 -9.567 -5.655 1.00 0.00 H new ATOM 0 HD11 LEU A 121 0.183 -8.331 -4.513 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -0.988 -9.007 -3.357 1.00 0.00 H new ATOM 0 HD13 LEU A 121 0.592 -9.793 -3.585 1.00 0.00 H new ATOM 0 HD21 LEU A 121 0.635 -9.481 -6.650 1.00 0.00 H new ATOM 0 HD22 LEU A 121 1.061 -10.988 -5.804 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -0.207 -10.997 -7.052 1.00 0.00 H new ATOM 1174 N ARG A 122 -1.738 -14.476 -5.833 1.00 0.00 N ATOM 1175 CA ARG A 122 -1.709 -15.906 -5.550 1.00 0.00 C ATOM 1176 C ARG A 122 -3.108 -16.429 -5.246 1.00 0.00 C ATOM 1177 O ARG A 122 -3.284 -17.309 -4.404 1.00 0.00 O ATOM 1178 CB ARG A 122 -0.777 -16.195 -4.372 1.00 0.00 C ATOM 1179 CG ARG A 122 0.597 -15.560 -4.511 1.00 0.00 C ATOM 1180 CD ARG A 122 1.568 -16.484 -5.230 1.00 0.00 C ATOM 1181 NE ARG A 122 1.454 -16.376 -6.682 1.00 0.00 N ATOM 1182 CZ ARG A 122 1.901 -17.300 -7.525 1.00 0.00 C ATOM 1183 NH1 ARG A 122 2.489 -18.394 -7.063 1.00 0.00 N ATOM 1184 NH2 ARG A 122 1.760 -17.130 -8.834 1.00 0.00 N ATOM 0 H ARG A 122 -1.191 -14.196 -6.647 1.00 0.00 H new ATOM 0 HA ARG A 122 -1.334 -16.419 -6.436 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -1.243 -15.835 -3.455 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -0.660 -17.274 -4.268 1.00 0.00 H new ATOM 0 HG2 ARG A 122 0.512 -14.622 -5.060 1.00 0.00 H new ATOM 0 HG3 ARG A 122 0.988 -15.317 -3.523 1.00 0.00 H new ATOM 0 HD2 ARG A 122 2.587 -16.244 -4.928 1.00 0.00 H new ATOM 0 HD3 ARG A 122 1.380 -17.514 -4.927 1.00 0.00 H new ATOM 0 HE ARG A 122 1.007 -15.546 -7.070 1.00 0.00 H new ATOM 0 HH11 ARG A 122 2.599 -18.528 -6.058 1.00 0.00 H new ATOM 0 HH12 ARG A 122 2.831 -19.102 -7.713 1.00 0.00 H new ATOM 0 HH21 ARG A 122 1.308 -16.289 -9.193 1.00 0.00 H new ATOM 0 HH22 ARG A 122 2.104 -17.840 -9.480 1.00 0.00 H new ATOM 1198 N ASN A 123 -4.103 -15.879 -5.935 1.00 0.00 N ATOM 1199 CA ASN A 123 -5.489 -16.289 -5.738 1.00 0.00 C ATOM 1200 C ASN A 123 -5.956 -15.963 -4.323 1.00 0.00 C ATOM 1201 O ASN A 123 -6.556 -16.801 -3.649 1.00 0.00 O ATOM 1202 CB ASN A 123 -5.642 -17.789 -6.005 1.00 0.00 C ATOM 1203 CG ASN A 123 -7.079 -18.256 -5.871 1.00 0.00 C ATOM 1204 OD1 ASN A 123 -8.014 -17.470 -6.021 1.00 0.00 O ATOM 1205 ND2 ASN A 123 -7.258 -19.540 -5.587 1.00 0.00 N ATOM 0 H ASN A 123 -3.975 -15.148 -6.635 1.00 0.00 H new ATOM 0 HA ASN A 123 -6.110 -15.736 -6.443 1.00 0.00 H new ATOM 0 HB2 ASN A 123 -5.281 -18.015 -7.008 1.00 0.00 H new ATOM 0 HB3 ASN A 123 -5.015 -18.345 -5.308 1.00 0.00 H new ATOM 0 HD21 ASN A 123 -8.202 -19.913 -5.484 1.00 0.00 H new ATOM 0 HD22 ASN A 123 -6.452 -20.154 -5.472 1.00 0.00 H new ATOM 1212 N GLN A 124 -5.676 -14.742 -3.880 1.00 0.00 N ATOM 1213 CA GLN A 124 -6.067 -14.306 -2.544 1.00 0.00 C ATOM 1214 C GLN A 124 -6.108 -12.783 -2.459 1.00 0.00 C ATOM 1215 O GLN A 124 -5.077 -12.113 -2.402 1.00 0.00 O ATOM 1216 CB GLN A 124 -5.099 -14.861 -1.498 1.00 0.00 C ATOM 1217 CG GLN A 124 -5.414 -16.286 -1.074 1.00 0.00 C ATOM 1218 CD GLN A 124 -4.600 -16.732 0.125 1.00 0.00 C ATOM 1219 OE1 GLN A 124 -3.383 -16.549 0.165 1.00 0.00 O ATOM 1220 NE2 GLN A 124 -5.268 -17.320 1.109 1.00 0.00 N ATOM 0 H GLN A 124 -5.180 -14.037 -4.426 1.00 0.00 H new ATOM 0 HA GLN A 124 -7.067 -14.691 -2.342 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -4.086 -14.825 -1.898 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -5.118 -14.217 -0.619 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -6.475 -16.364 -0.837 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -5.223 -16.960 -1.909 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -6.277 -17.451 1.033 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -4.773 -17.641 1.941 1.00 0.00 H new ATOM 1229 N PRO A 125 -7.326 -12.223 -2.451 1.00 0.00 N ATOM 1230 CA PRO A 125 -7.530 -10.774 -2.373 1.00 0.00 C ATOM 1231 C PRO A 125 -6.622 -10.115 -1.340 1.00 0.00 C ATOM 1232 O PRO A 125 -6.263 -10.728 -0.335 1.00 0.00 O ATOM 1233 CB PRO A 125 -8.997 -10.644 -1.955 1.00 0.00 C ATOM 1234 CG PRO A 125 -9.652 -11.875 -2.480 1.00 0.00 C ATOM 1235 CD PRO A 125 -8.599 -12.962 -2.517 1.00 0.00 C ATOM 0 HA PRO A 125 -7.295 -10.279 -3.315 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -9.095 -10.575 -0.872 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -9.450 -9.745 -2.374 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -10.486 -12.169 -1.842 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -10.059 -11.699 -3.476 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -8.705 -13.650 -1.679 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -8.670 -13.556 -3.428 1.00 0.00 H new ATOM 1243 N ILE A 126 -6.254 -8.864 -1.595 1.00 0.00 N ATOM 1244 CA ILE A 126 -5.388 -8.123 -0.686 1.00 0.00 C ATOM 1245 C ILE A 126 -6.097 -6.891 -0.134 1.00 0.00 C ATOM 1246 O ILE A 126 -7.126 -6.465 -0.662 1.00 0.00 O ATOM 1247 CB ILE A 126 -4.086 -7.684 -1.381 1.00 0.00 C ATOM 1248 CG1 ILE A 126 -4.401 -6.971 -2.698 1.00 0.00 C ATOM 1249 CG2 ILE A 126 -3.185 -8.885 -1.624 1.00 0.00 C ATOM 1250 CD1 ILE A 126 -3.177 -6.415 -3.391 1.00 0.00 C ATOM 0 H ILE A 126 -6.542 -8.342 -2.423 1.00 0.00 H new ATOM 0 HA ILE A 126 -5.142 -8.796 0.135 1.00 0.00 H new ATOM 0 HB ILE A 126 -3.560 -6.986 -0.729 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -4.903 -7.669 -3.369 1.00 0.00 H new ATOM 0 HG13 ILE A 126 -5.100 -6.157 -2.503 1.00 0.00 H new ATOM 0 HG21 ILE A 126 -2.269 -8.559 -2.116 1.00 0.00 H new ATOM 0 HG22 ILE A 126 -2.938 -9.354 -0.671 1.00 0.00 H new ATOM 0 HG23 ILE A 126 -3.701 -9.605 -2.259 1.00 0.00 H new ATOM 0 HD11 ILE A 126 -3.475 -5.924 -4.317 1.00 0.00 H new ATOM 0 HD12 ILE A 126 -2.686 -5.693 -2.739 1.00 0.00 H new ATOM 0 HD13 ILE A 126 -2.486 -7.227 -3.617 1.00 0.00 H new ATOM 1262 N TYR A 127 -5.540 -6.321 0.929 1.00 0.00 N ATOM 1263 CA TYR A 127 -6.120 -5.138 1.553 1.00 0.00 C ATOM 1264 C TYR A 127 -5.281 -3.898 1.254 1.00 0.00 C ATOM 1265 O TYR A 127 -4.065 -3.897 1.446 1.00 0.00 O ATOM 1266 CB TYR A 127 -6.234 -5.336 3.065 1.00 0.00 C ATOM 1267 CG TYR A 127 -7.416 -6.183 3.477 1.00 0.00 C ATOM 1268 CD1 TYR A 127 -8.096 -6.960 2.547 1.00 0.00 C ATOM 1269 CD2 TYR A 127 -7.856 -6.204 4.795 1.00 0.00 C ATOM 1270 CE1 TYR A 127 -9.179 -7.735 2.919 1.00 0.00 C ATOM 1271 CE2 TYR A 127 -8.936 -6.978 5.175 1.00 0.00 C ATOM 1272 CZ TYR A 127 -9.594 -7.741 4.233 1.00 0.00 C ATOM 1273 OH TYR A 127 -10.672 -8.511 4.609 1.00 0.00 O ATOM 0 H TYR A 127 -4.688 -6.659 1.376 1.00 0.00 H new ATOM 0 HA TYR A 127 -7.116 -4.991 1.136 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -5.319 -5.801 3.432 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -6.311 -4.361 3.546 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -7.773 -6.959 1.516 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -7.345 -5.605 5.535 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -9.697 -8.333 2.183 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -9.263 -6.985 6.204 1.00 0.00 H new ATOM 0 HH TYR A 127 -10.832 -8.402 5.570 1.00 0.00 H new ATOM 1283 N ILE A 128 -5.941 -2.845 0.783 1.00 0.00 N ATOM 1284 CA ILE A 128 -5.258 -1.600 0.459 1.00 0.00 C ATOM 1285 C ILE A 128 -6.000 -0.400 1.038 1.00 0.00 C ATOM 1286 O ILE A 128 -7.139 -0.123 0.664 1.00 0.00 O ATOM 1287 CB ILE A 128 -5.116 -1.415 -1.064 1.00 0.00 C ATOM 1288 CG1 ILE A 128 -4.371 -2.603 -1.676 1.00 0.00 C ATOM 1289 CG2 ILE A 128 -4.394 -0.113 -1.374 1.00 0.00 C ATOM 1290 CD1 ILE A 128 -4.454 -2.655 -3.185 1.00 0.00 C ATOM 0 H ILE A 128 -6.947 -2.830 0.618 1.00 0.00 H new ATOM 0 HA ILE A 128 -4.265 -1.660 0.904 1.00 0.00 H new ATOM 0 HB ILE A 128 -6.112 -1.369 -1.505 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -3.323 -2.557 -1.379 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -4.778 -3.527 -1.266 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -4.301 0.003 -2.454 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -4.961 0.724 -0.966 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -3.401 -0.132 -0.925 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -3.904 -3.522 -3.550 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -5.498 -2.733 -3.490 1.00 0.00 H new ATOM 0 HD13 ILE A 128 -4.020 -1.747 -3.605 1.00 0.00 H new ATOM 1302 N GLN A 129 -5.344 0.311 1.951 1.00 0.00 N ATOM 1303 CA GLN A 129 -5.941 1.482 2.581 1.00 0.00 C ATOM 1304 C GLN A 129 -4.882 2.539 2.880 1.00 0.00 C ATOM 1305 O GLN A 129 -3.727 2.213 3.156 1.00 0.00 O ATOM 1306 CB GLN A 129 -6.660 1.083 3.871 1.00 0.00 C ATOM 1307 CG GLN A 129 -7.448 2.218 4.504 1.00 0.00 C ATOM 1308 CD GLN A 129 -8.709 2.555 3.733 1.00 0.00 C ATOM 1309 OE1 GLN A 129 -9.453 1.666 3.319 1.00 0.00 O ATOM 1310 NE2 GLN A 129 -8.956 3.845 3.535 1.00 0.00 N ATOM 0 H GLN A 129 -4.399 0.096 2.270 1.00 0.00 H new ATOM 0 HA GLN A 129 -6.666 1.907 1.887 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -7.337 0.256 3.659 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -5.925 0.717 4.588 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -7.713 1.945 5.525 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -6.816 3.104 4.565 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -8.312 4.549 3.896 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -9.790 4.132 3.022 1.00 0.00 H new ATOM 1319 N TYR A 130 -5.284 3.803 2.823 1.00 0.00 N ATOM 1320 CA TYR A 130 -4.368 4.907 3.085 1.00 0.00 C ATOM 1321 C TYR A 130 -3.685 4.740 4.439 1.00 0.00 C ATOM 1322 O TYR A 130 -4.269 4.198 5.378 1.00 0.00 O ATOM 1323 CB TYR A 130 -5.118 6.240 3.041 1.00 0.00 C ATOM 1324 CG TYR A 130 -5.369 6.748 1.640 1.00 0.00 C ATOM 1325 CD1 TYR A 130 -5.903 5.917 0.663 1.00 0.00 C ATOM 1326 CD2 TYR A 130 -5.072 8.061 1.293 1.00 0.00 C ATOM 1327 CE1 TYR A 130 -6.132 6.377 -0.619 1.00 0.00 C ATOM 1328 CE2 TYR A 130 -5.301 8.530 0.014 1.00 0.00 C ATOM 1329 CZ TYR A 130 -5.830 7.684 -0.939 1.00 0.00 C ATOM 1330 OH TYR A 130 -6.059 8.147 -2.215 1.00 0.00 O ATOM 0 H TYR A 130 -6.237 4.089 2.598 1.00 0.00 H new ATOM 0 HA TYR A 130 -3.602 4.902 2.309 1.00 0.00 H new ATOM 0 HB2 TYR A 130 -6.073 6.127 3.554 1.00 0.00 H new ATOM 0 HB3 TYR A 130 -4.547 6.987 3.592 1.00 0.00 H new ATOM 0 HD1 TYR A 130 -6.143 4.894 0.910 1.00 0.00 H new ATOM 0 HD2 TYR A 130 -4.655 8.725 2.036 1.00 0.00 H new ATOM 0 HE1 TYR A 130 -6.545 5.717 -1.367 1.00 0.00 H new ATOM 0 HE2 TYR A 130 -5.067 9.554 -0.239 1.00 0.00 H new ATOM 0 HH TYR A 130 -6.561 8.988 -2.173 1.00 0.00 H new ATOM 1340 N SER A 131 -2.445 5.208 4.531 1.00 0.00 N ATOM 1341 CA SER A 131 -1.680 5.106 5.769 1.00 0.00 C ATOM 1342 C SER A 131 -1.764 6.404 6.566 1.00 0.00 C ATOM 1343 O SER A 131 -1.418 7.475 6.068 1.00 0.00 O ATOM 1344 CB SER A 131 -0.217 4.776 5.463 1.00 0.00 C ATOM 1345 OG SER A 131 0.496 4.472 6.650 1.00 0.00 O ATOM 0 H SER A 131 -1.948 5.661 3.764 1.00 0.00 H new ATOM 0 HA SER A 131 -2.109 4.303 6.368 1.00 0.00 H new ATOM 0 HB2 SER A 131 -0.167 3.929 4.778 1.00 0.00 H new ATOM 0 HB3 SER A 131 0.252 5.621 4.959 1.00 0.00 H new ATOM 0 HG SER A 131 1.427 4.263 6.428 1.00 0.00 H new