USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=15 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 Set 1.1: A 62 HIS : no HE2:sc= -10.9! C(o=-14!,f=-7.1!) USER MOD Set 1.2: A 96 GLN : amide:sc= -2.79! K(o=-14!,f=-7.1) USER MOD Single : A 58 SER OG : rot -105:sc= 0.145 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 101:sc= -0.354 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 109:sc= 0.907 USER MOD Single : A 87 ASN : amide:sc= -0.535 K(o=-0.54,f=-1.7!) USER MOD Single : A 90 MET CE :methyl 153:sc= -2.18 (180deg=-4.71!) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 112 ASN : amide:sc= -0.287 X(o=-0.29,f=0) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot 165: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 HD1:sc= -5.94! C(o=-5.9!,f=-7.1!) USER MOD Single : A 123 ASN : amide:sc= -0.0741 X(o=-0.074,f=-0.09) USER MOD Single : A 124 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 GLN : amide:sc= 0.901 K(o=0.9,f=-5.5!) USER MOD Single : A 130 TYR OH : rot 171:sc= -0.91 USER MOD Single : A 131 SER OG : rot -170:sc= -1.29 USER MOD ----------------------------------------------------------------- ATOM 160 N SER A 58 -1.611 10.648 1.360 1.00 0.00 N ATOM 161 CA SER A 58 -0.302 10.301 1.898 1.00 0.00 C ATOM 162 C SER A 58 0.543 9.580 0.852 1.00 0.00 C ATOM 163 O SER A 58 0.054 8.701 0.143 1.00 0.00 O ATOM 164 CB SER A 58 -0.454 9.421 3.141 1.00 0.00 C ATOM 165 OG SER A 58 0.806 8.964 3.599 1.00 0.00 O ATOM 0 HA SER A 58 0.205 11.225 2.175 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.949 9.985 3.931 1.00 0.00 H new ATOM 0 HB3 SER A 58 -1.092 8.568 2.911 1.00 0.00 H new ATOM 0 HG SER A 58 0.915 8.018 3.367 1.00 0.00 H new ATOM 171 N ARG A 59 1.814 9.959 0.763 1.00 0.00 N ATOM 172 CA ARG A 59 2.726 9.351 -0.197 1.00 0.00 C ATOM 173 C ARG A 59 2.907 7.864 0.092 1.00 0.00 C ATOM 174 O ARG A 59 3.170 7.072 -0.814 1.00 0.00 O ATOM 175 CB ARG A 59 4.083 10.057 -0.162 1.00 0.00 C ATOM 176 CG ARG A 59 4.072 11.431 -0.811 1.00 0.00 C ATOM 177 CD ARG A 59 5.335 12.212 -0.484 1.00 0.00 C ATOM 178 NE ARG A 59 5.261 13.593 -0.955 1.00 0.00 N ATOM 179 CZ ARG A 59 6.058 14.561 -0.517 1.00 0.00 C ATOM 180 NH1 ARG A 59 6.983 14.302 0.396 1.00 0.00 N ATOM 181 NH2 ARG A 59 5.931 15.793 -0.994 1.00 0.00 N ATOM 0 H ARG A 59 2.235 10.684 1.344 1.00 0.00 H new ATOM 0 HA ARG A 59 2.293 9.461 -1.191 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.404 10.157 0.875 1.00 0.00 H new ATOM 0 HB3 ARG A 59 4.821 9.433 -0.666 1.00 0.00 H new ATOM 0 HG2 ARG A 59 3.979 11.323 -1.892 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.200 11.989 -0.470 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.497 12.205 0.594 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.194 11.719 -0.939 1.00 0.00 H new ATOM 0 HE ARG A 59 4.560 13.826 -1.658 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.085 13.357 0.765 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.593 15.048 0.730 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.221 15.997 -1.697 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.543 16.536 -0.657 1.00 0.00 H new ATOM 195 N VAL A 60 2.766 7.490 1.360 1.00 0.00 N ATOM 196 CA VAL A 60 2.913 6.099 1.768 1.00 0.00 C ATOM 197 C VAL A 60 1.553 5.437 1.963 1.00 0.00 C ATOM 198 O VAL A 60 0.705 5.939 2.702 1.00 0.00 O ATOM 199 CB VAL A 60 3.721 5.980 3.074 1.00 0.00 C ATOM 200 CG1 VAL A 60 3.860 4.522 3.485 1.00 0.00 C ATOM 201 CG2 VAL A 60 5.086 6.632 2.916 1.00 0.00 C ATOM 0 H VAL A 60 2.550 8.132 2.122 1.00 0.00 H new ATOM 0 HA VAL A 60 3.451 5.590 0.969 1.00 0.00 H new ATOM 0 HB VAL A 60 3.183 6.504 3.864 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.434 4.458 4.410 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.871 4.092 3.641 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.375 3.970 2.699 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.644 6.539 3.848 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.634 6.138 2.114 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.959 7.687 2.673 1.00 0.00 H new ATOM 211 N LEU A 61 1.351 4.307 1.296 1.00 0.00 N ATOM 212 CA LEU A 61 0.094 3.573 1.395 1.00 0.00 C ATOM 213 C LEU A 61 0.280 2.277 2.178 1.00 0.00 C ATOM 214 O LEU A 61 1.290 1.589 2.029 1.00 0.00 O ATOM 215 CB LEU A 61 -0.452 3.266 0.000 1.00 0.00 C ATOM 216 CG LEU A 61 -0.486 4.439 -0.981 1.00 0.00 C ATOM 217 CD1 LEU A 61 -0.793 3.950 -2.388 1.00 0.00 C ATOM 218 CD2 LEU A 61 -1.511 5.474 -0.539 1.00 0.00 C ATOM 0 H LEU A 61 2.042 3.878 0.680 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.622 4.198 1.928 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.151 2.470 -0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.465 2.877 0.106 1.00 0.00 H new ATOM 0 HG LEU A 61 0.497 4.910 -0.989 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.813 4.799 -3.072 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.023 3.247 -2.705 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.763 3.454 -2.397 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.522 6.301 -1.248 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.499 5.015 -0.502 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.247 5.848 0.450 1.00 0.00 H new ATOM 230 N HIS A 62 -0.703 1.948 3.010 1.00 0.00 N ATOM 231 CA HIS A 62 -0.650 0.732 3.814 1.00 0.00 C ATOM 232 C HIS A 62 -1.402 -0.405 3.130 1.00 0.00 C ATOM 233 O HIS A 62 -2.457 -0.193 2.531 1.00 0.00 O ATOM 234 CB HIS A 62 -1.238 0.987 5.202 1.00 0.00 C ATOM 235 CG HIS A 62 -1.275 -0.233 6.069 1.00 0.00 C ATOM 236 ND1 HIS A 62 -2.449 -0.814 6.501 1.00 0.00 N ATOM 237 CD2 HIS A 62 -0.274 -0.984 6.585 1.00 0.00 C ATOM 238 CE1 HIS A 62 -2.168 -1.868 7.246 1.00 0.00 C ATOM 239 NE2 HIS A 62 -0.855 -1.994 7.312 1.00 0.00 N ATOM 0 H HIS A 62 -1.546 2.506 3.145 1.00 0.00 H new ATOM 0 HA HIS A 62 0.395 0.441 3.919 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -0.651 1.759 5.700 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -2.250 1.376 5.093 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -3.388 -0.482 6.280 1.00 0.00 H new ATOM 0 HD2 HIS A 62 0.785 -0.820 6.450 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -2.889 -2.517 7.721 1.00 0.00 H new ATOM 247 N ILE A 63 -0.852 -1.611 3.222 1.00 0.00 N ATOM 248 CA ILE A 63 -1.472 -2.782 2.612 1.00 0.00 C ATOM 249 C ILE A 63 -1.502 -3.956 3.584 1.00 0.00 C ATOM 250 O ILE A 63 -0.551 -4.182 4.332 1.00 0.00 O ATOM 251 CB ILE A 63 -0.731 -3.208 1.332 1.00 0.00 C ATOM 252 CG1 ILE A 63 -0.571 -2.014 0.388 1.00 0.00 C ATOM 253 CG2 ILE A 63 -1.477 -4.339 0.640 1.00 0.00 C ATOM 254 CD1 ILE A 63 0.486 -2.222 -0.675 1.00 0.00 C ATOM 0 H ILE A 63 0.021 -1.803 3.713 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.493 -2.501 2.354 1.00 0.00 H new ATOM 0 HB ILE A 63 0.261 -3.567 1.607 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.527 -1.813 -0.096 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.318 -1.130 0.973 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.941 -4.629 -0.263 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.545 -5.194 1.312 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.480 -4.005 0.375 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.545 -1.336 -1.308 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.452 -2.393 -0.199 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.224 -3.087 -1.285 1.00 0.00 H new ATOM 266 N ARG A 64 -2.602 -4.703 3.566 1.00 0.00 N ATOM 267 CA ARG A 64 -2.756 -5.857 4.445 1.00 0.00 C ATOM 268 C ARG A 64 -3.203 -7.084 3.658 1.00 0.00 C ATOM 269 O ARG A 64 -3.525 -6.993 2.473 1.00 0.00 O ATOM 270 CB ARG A 64 -3.767 -5.549 5.552 1.00 0.00 C ATOM 271 CG ARG A 64 -3.680 -4.127 6.079 1.00 0.00 C ATOM 272 CD ARG A 64 -4.608 -3.192 5.320 1.00 0.00 C ATOM 273 NE ARG A 64 -5.002 -2.039 6.125 1.00 0.00 N ATOM 274 CZ ARG A 64 -6.067 -1.290 5.862 1.00 0.00 C ATOM 275 NH1 ARG A 64 -6.841 -1.571 4.824 1.00 0.00 N ATOM 276 NH2 ARG A 64 -6.360 -0.256 6.641 1.00 0.00 N ATOM 0 H ARG A 64 -3.399 -4.530 2.953 1.00 0.00 H new ATOM 0 HA ARG A 64 -1.787 -6.071 4.897 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -4.773 -5.726 5.172 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -3.611 -6.243 6.378 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -3.936 -4.114 7.138 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.654 -3.769 5.995 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -4.112 -2.848 4.412 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -5.498 -3.739 5.009 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.429 -1.796 6.933 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -6.620 -2.365 4.223 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.658 -0.993 4.626 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -5.767 -0.037 7.442 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -7.178 0.319 6.439 1.00 0.00 H new ATOM 290 N LYS A 65 -3.223 -8.234 4.325 1.00 0.00 N ATOM 291 CA LYS A 65 -3.630 -9.481 3.689 1.00 0.00 C ATOM 292 C LYS A 65 -2.716 -9.818 2.516 1.00 0.00 C ATOM 293 O LYS A 65 -3.177 -10.271 1.467 1.00 0.00 O ATOM 294 CB LYS A 65 -5.080 -9.380 3.208 1.00 0.00 C ATOM 295 CG LYS A 65 -6.101 -9.750 4.270 1.00 0.00 C ATOM 296 CD LYS A 65 -6.311 -11.252 4.343 1.00 0.00 C ATOM 297 CE LYS A 65 -5.181 -11.939 5.094 1.00 0.00 C ATOM 298 NZ LYS A 65 -5.643 -13.171 5.789 1.00 0.00 N ATOM 0 H LYS A 65 -2.962 -8.327 5.307 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.552 -10.279 4.427 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.272 -8.361 2.871 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.214 -10.032 2.345 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.768 -9.381 5.240 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.049 -9.260 4.051 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.259 -11.464 4.837 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.379 -11.660 3.335 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.384 -12.194 4.396 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.758 -11.248 5.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -4.843 -13.609 6.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.386 -12.925 6.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.024 -13.841 5.091 1.00 0.00 H new ATOM 312 N LEU A 66 -1.419 -9.598 2.700 1.00 0.00 N ATOM 313 CA LEU A 66 -0.439 -9.880 1.656 1.00 0.00 C ATOM 314 C LEU A 66 -0.122 -11.372 1.597 1.00 0.00 C ATOM 315 O LEU A 66 -0.071 -12.062 2.616 1.00 0.00 O ATOM 316 CB LEU A 66 0.843 -9.084 1.905 1.00 0.00 C ATOM 317 CG LEU A 66 0.807 -7.611 1.498 1.00 0.00 C ATOM 318 CD1 LEU A 66 2.067 -6.898 1.964 1.00 0.00 C ATOM 319 CD2 LEU A 66 0.642 -7.477 -0.008 1.00 0.00 C ATOM 0 H LEU A 66 -1.021 -9.225 3.562 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.866 -9.579 0.699 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.082 -9.141 2.967 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.658 -9.569 1.368 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.051 -7.142 1.980 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.024 -5.851 1.665 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.142 -6.963 3.049 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.940 -7.369 1.511 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.618 -6.421 -0.279 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.479 -7.962 -0.510 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.290 -7.951 -0.316 1.00 0.00 H new ATOM 331 N PRO A 67 0.098 -11.882 0.376 1.00 0.00 N ATOM 332 CA PRO A 67 0.418 -13.295 0.155 1.00 0.00 C ATOM 333 C PRO A 67 1.500 -13.801 1.102 1.00 0.00 C ATOM 334 O PRO A 67 2.571 -13.206 1.210 1.00 0.00 O ATOM 335 CB PRO A 67 0.917 -13.323 -1.292 1.00 0.00 C ATOM 336 CG PRO A 67 0.238 -12.173 -1.950 1.00 0.00 C ATOM 337 CD PRO A 67 0.054 -11.117 -0.882 1.00 0.00 C ATOM 0 HA PRO A 67 -0.441 -13.940 0.337 1.00 0.00 H new ATOM 0 HB2 PRO A 67 2.001 -13.222 -1.339 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.663 -14.264 -1.780 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.837 -11.790 -2.776 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.723 -12.476 -2.366 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.843 -10.366 -0.922 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.894 -10.591 -0.998 1.00 0.00 H new ATOM 345 N GLY A 68 1.212 -14.903 1.788 1.00 0.00 N ATOM 346 CA GLY A 68 2.172 -15.470 2.717 1.00 0.00 C ATOM 347 C GLY A 68 3.583 -15.469 2.166 1.00 0.00 C ATOM 348 O GLY A 68 3.858 -16.100 1.146 1.00 0.00 O ATOM 0 H GLY A 68 0.331 -15.413 1.717 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.149 -14.905 3.649 1.00 0.00 H new ATOM 0 HA3 GLY A 68 1.880 -16.492 2.957 1.00 0.00 H new ATOM 352 N GLU A 69 4.481 -14.757 2.840 1.00 0.00 N ATOM 353 CA GLU A 69 5.872 -14.676 2.409 1.00 0.00 C ATOM 354 C GLU A 69 5.971 -14.098 1.000 1.00 0.00 C ATOM 355 O GLU A 69 6.657 -14.647 0.139 1.00 0.00 O ATOM 356 CB GLU A 69 6.525 -16.059 2.452 1.00 0.00 C ATOM 357 CG GLU A 69 7.053 -16.440 3.825 1.00 0.00 C ATOM 358 CD GLU A 69 7.333 -17.925 3.950 1.00 0.00 C ATOM 359 OE1 GLU A 69 6.409 -18.726 3.696 1.00 0.00 O ATOM 360 OE2 GLU A 69 8.475 -18.287 4.302 1.00 0.00 O ATOM 0 H GLU A 69 4.270 -14.228 3.686 1.00 0.00 H new ATOM 0 HA GLU A 69 6.400 -14.013 3.094 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.798 -16.805 2.132 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.346 -16.086 1.736 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.968 -15.883 4.026 1.00 0.00 H new ATOM 0 HG3 GLU A 69 6.328 -16.145 4.584 1.00 0.00 H new ATOM 367 N VAL A 70 5.280 -12.985 0.773 1.00 0.00 N ATOM 368 CA VAL A 70 5.290 -12.332 -0.530 1.00 0.00 C ATOM 369 C VAL A 70 6.602 -11.590 -0.763 1.00 0.00 C ATOM 370 O VAL A 70 7.260 -11.157 0.183 1.00 0.00 O ATOM 371 CB VAL A 70 4.121 -11.339 -0.669 1.00 0.00 C ATOM 372 CG1 VAL A 70 4.286 -10.180 0.303 1.00 0.00 C ATOM 373 CG2 VAL A 70 4.018 -10.834 -2.101 1.00 0.00 C ATOM 0 H VAL A 70 4.706 -12.517 1.475 1.00 0.00 H new ATOM 0 HA VAL A 70 5.182 -13.117 -1.278 1.00 0.00 H new ATOM 0 HB VAL A 70 3.195 -11.859 -0.424 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.451 -9.489 0.190 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.306 -10.561 1.324 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.220 -9.658 0.092 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.187 -10.133 -2.181 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.945 -10.331 -2.377 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.849 -11.676 -2.772 1.00 0.00 H new ATOM 383 N THR A 71 6.978 -11.447 -2.030 1.00 0.00 N ATOM 384 CA THR A 71 8.211 -10.759 -2.389 1.00 0.00 C ATOM 385 C THR A 71 7.944 -9.302 -2.746 1.00 0.00 C ATOM 386 O THR A 71 7.013 -8.997 -3.491 1.00 0.00 O ATOM 387 CB THR A 71 8.913 -11.446 -3.575 1.00 0.00 C ATOM 388 OG1 THR A 71 8.013 -11.550 -4.684 1.00 0.00 O ATOM 389 CG2 THR A 71 9.407 -12.831 -3.183 1.00 0.00 C ATOM 0 H THR A 71 6.445 -11.799 -2.825 1.00 0.00 H new ATOM 0 HA THR A 71 8.862 -10.803 -1.516 1.00 0.00 H new ATOM 0 HB THR A 71 9.772 -10.839 -3.861 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.212 -10.844 -5.334 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.899 -13.297 -4.037 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.115 -12.745 -2.358 1.00 0.00 H new ATOM 0 HG23 THR A 71 8.561 -13.445 -2.873 1.00 0.00 H new ATOM 397 N GLU A 72 8.767 -8.405 -2.211 1.00 0.00 N ATOM 398 CA GLU A 72 8.617 -6.979 -2.475 1.00 0.00 C ATOM 399 C GLU A 72 8.332 -6.726 -3.952 1.00 0.00 C ATOM 400 O GLU A 72 7.401 -5.999 -4.302 1.00 0.00 O ATOM 401 CB GLU A 72 9.880 -6.224 -2.052 1.00 0.00 C ATOM 402 CG GLU A 72 10.013 -6.057 -0.547 1.00 0.00 C ATOM 403 CD GLU A 72 11.454 -5.890 -0.105 1.00 0.00 C ATOM 404 OE1 GLU A 72 12.127 -4.967 -0.609 1.00 0.00 O ATOM 405 OE2 GLU A 72 11.908 -6.683 0.747 1.00 0.00 O ATOM 0 H GLU A 72 9.543 -8.641 -1.593 1.00 0.00 H new ATOM 0 HA GLU A 72 7.771 -6.615 -1.892 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.754 -6.755 -2.429 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.879 -5.240 -2.520 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.436 -5.189 -0.229 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.582 -6.926 -0.049 1.00 0.00 H new ATOM 412 N THR A 73 9.141 -7.330 -4.817 1.00 0.00 N ATOM 413 CA THR A 73 8.977 -7.170 -6.257 1.00 0.00 C ATOM 414 C THR A 73 7.505 -7.198 -6.650 1.00 0.00 C ATOM 415 O THR A 73 7.082 -6.485 -7.559 1.00 0.00 O ATOM 416 CB THR A 73 9.726 -8.270 -7.034 1.00 0.00 C ATOM 417 OG1 THR A 73 11.120 -8.233 -6.712 1.00 0.00 O ATOM 418 CG2 THR A 73 9.541 -8.094 -8.533 1.00 0.00 C ATOM 0 H THR A 73 9.916 -7.935 -4.545 1.00 0.00 H new ATOM 0 HA THR A 73 9.400 -6.200 -6.517 1.00 0.00 H new ATOM 0 HB THR A 73 9.312 -9.236 -6.744 1.00 0.00 H new ATOM 0 HG1 THR A 73 11.589 -8.936 -7.208 1.00 0.00 H new ATOM 0 HG21 THR A 73 10.079 -8.882 -9.061 1.00 0.00 H new ATOM 0 HG22 THR A 73 8.480 -8.151 -8.778 1.00 0.00 H new ATOM 0 HG23 THR A 73 9.931 -7.122 -8.836 1.00 0.00 H new ATOM 426 N GLU A 74 6.729 -8.027 -5.958 1.00 0.00 N ATOM 427 CA GLU A 74 5.303 -8.149 -6.236 1.00 0.00 C ATOM 428 C GLU A 74 4.589 -6.818 -6.011 1.00 0.00 C ATOM 429 O GLU A 74 4.101 -6.195 -6.954 1.00 0.00 O ATOM 430 CB GLU A 74 4.678 -9.230 -5.353 1.00 0.00 C ATOM 431 CG GLU A 74 5.142 -10.637 -5.693 1.00 0.00 C ATOM 432 CD GLU A 74 4.397 -11.228 -6.875 1.00 0.00 C ATOM 433 OE1 GLU A 74 3.947 -10.448 -7.742 1.00 0.00 O ATOM 434 OE2 GLU A 74 4.262 -12.467 -6.933 1.00 0.00 O ATOM 0 H GLU A 74 7.064 -8.623 -5.201 1.00 0.00 H new ATOM 0 HA GLU A 74 5.187 -8.433 -7.282 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.918 -9.019 -4.311 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.593 -9.182 -5.447 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.209 -10.620 -5.913 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.006 -11.280 -4.824 1.00 0.00 H new ATOM 441 N VAL A 75 4.533 -6.389 -4.754 1.00 0.00 N ATOM 442 CA VAL A 75 3.881 -5.133 -4.403 1.00 0.00 C ATOM 443 C VAL A 75 4.483 -3.966 -5.178 1.00 0.00 C ATOM 444 O VAL A 75 3.786 -3.010 -5.519 1.00 0.00 O ATOM 445 CB VAL A 75 3.993 -4.845 -2.895 1.00 0.00 C ATOM 446 CG1 VAL A 75 3.189 -3.607 -2.526 1.00 0.00 C ATOM 447 CG2 VAL A 75 3.533 -6.050 -2.087 1.00 0.00 C ATOM 0 H VAL A 75 4.931 -6.893 -3.962 1.00 0.00 H new ATOM 0 HA VAL A 75 2.829 -5.238 -4.668 1.00 0.00 H new ATOM 0 HB VAL A 75 5.039 -4.654 -2.656 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.280 -3.419 -1.456 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.569 -2.748 -3.079 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.141 -3.766 -2.778 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.619 -5.829 -1.023 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.494 -6.275 -2.328 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.156 -6.911 -2.330 1.00 0.00 H new ATOM 457 N ILE A 76 5.780 -4.052 -5.454 1.00 0.00 N ATOM 458 CA ILE A 76 6.474 -3.003 -6.191 1.00 0.00 C ATOM 459 C ILE A 76 5.999 -2.941 -7.638 1.00 0.00 C ATOM 460 O ILE A 76 5.752 -1.862 -8.175 1.00 0.00 O ATOM 461 CB ILE A 76 7.999 -3.219 -6.173 1.00 0.00 C ATOM 462 CG1 ILE A 76 8.523 -3.189 -4.736 1.00 0.00 C ATOM 463 CG2 ILE A 76 8.694 -2.161 -7.017 1.00 0.00 C ATOM 464 CD1 ILE A 76 9.920 -3.751 -4.590 1.00 0.00 C ATOM 0 H ILE A 76 6.371 -4.836 -5.179 1.00 0.00 H new ATOM 0 HA ILE A 76 6.241 -2.061 -5.694 1.00 0.00 H new ATOM 0 HB ILE A 76 8.217 -4.198 -6.600 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.515 -2.160 -4.376 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.844 -3.755 -4.098 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.771 -2.327 -6.994 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.339 -2.225 -8.045 1.00 0.00 H new ATOM 0 HG23 ILE A 76 8.471 -1.172 -6.617 1.00 0.00 H new ATOM 0 HD11 ILE A 76 10.226 -3.698 -3.545 1.00 0.00 H new ATOM 0 HD12 ILE A 76 9.930 -4.790 -4.919 1.00 0.00 H new ATOM 0 HD13 ILE A 76 10.611 -3.170 -5.201 1.00 0.00 H new ATOM 476 N ALA A 77 5.868 -4.107 -8.264 1.00 0.00 N ATOM 477 CA ALA A 77 5.418 -4.185 -9.648 1.00 0.00 C ATOM 478 C ALA A 77 3.994 -3.658 -9.792 1.00 0.00 C ATOM 479 O ALA A 77 3.543 -3.354 -10.898 1.00 0.00 O ATOM 480 CB ALA A 77 5.506 -5.617 -10.151 1.00 0.00 C ATOM 0 H ALA A 77 6.067 -5.010 -7.834 1.00 0.00 H new ATOM 0 HA ALA A 77 6.073 -3.558 -10.253 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.167 -5.661 -11.186 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.539 -5.960 -10.093 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.875 -6.258 -9.535 1.00 0.00 H new ATOM 486 N LEU A 78 3.290 -3.553 -8.671 1.00 0.00 N ATOM 487 CA LEU A 78 1.916 -3.064 -8.672 1.00 0.00 C ATOM 488 C LEU A 78 1.877 -1.551 -8.480 1.00 0.00 C ATOM 489 O LEU A 78 0.879 -0.901 -8.788 1.00 0.00 O ATOM 490 CB LEU A 78 1.108 -3.751 -7.570 1.00 0.00 C ATOM 491 CG LEU A 78 1.034 -5.276 -7.642 1.00 0.00 C ATOM 492 CD1 LEU A 78 0.398 -5.840 -6.381 1.00 0.00 C ATOM 493 CD2 LEU A 78 0.259 -5.714 -8.875 1.00 0.00 C ATOM 0 H LEU A 78 3.648 -3.800 -7.749 1.00 0.00 H new ATOM 0 HA LEU A 78 1.473 -3.301 -9.639 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.536 -3.473 -6.607 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.092 -3.357 -7.593 1.00 0.00 H new ATOM 0 HG LEU A 78 2.049 -5.667 -7.718 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.354 -6.927 -6.451 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.995 -5.556 -5.514 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.611 -5.442 -6.273 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.216 -6.803 -8.910 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.753 -5.312 -8.830 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.758 -5.341 -9.770 1.00 0.00 H new ATOM 505 N GLY A 79 2.972 -0.995 -7.971 1.00 0.00 N ATOM 506 CA GLY A 79 3.044 0.437 -7.749 1.00 0.00 C ATOM 507 C GLY A 79 3.795 1.158 -8.850 1.00 0.00 C ATOM 508 O GLY A 79 3.604 2.356 -9.061 1.00 0.00 O ATOM 0 H GLY A 79 3.811 -1.512 -7.708 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.034 0.841 -7.677 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.533 0.629 -6.794 1.00 0.00 H new ATOM 512 N LEU A 80 4.655 0.429 -9.553 1.00 0.00 N ATOM 513 CA LEU A 80 5.440 1.006 -10.638 1.00 0.00 C ATOM 514 C LEU A 80 4.532 1.585 -11.719 1.00 0.00 C ATOM 515 O LEU A 80 4.777 2.665 -12.257 1.00 0.00 O ATOM 516 CB LEU A 80 6.364 -0.052 -11.245 1.00 0.00 C ATOM 517 CG LEU A 80 7.661 -0.326 -10.483 1.00 0.00 C ATOM 518 CD1 LEU A 80 8.245 -1.671 -10.888 1.00 0.00 C ATOM 519 CD2 LEU A 80 8.668 0.789 -10.728 1.00 0.00 C ATOM 0 H LEU A 80 4.826 -0.563 -9.391 1.00 0.00 H new ATOM 0 HA LEU A 80 6.045 1.814 -10.226 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.809 -0.987 -11.326 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.620 0.256 -12.259 1.00 0.00 H new ATOM 0 HG LEU A 80 7.434 -0.358 -9.417 1.00 0.00 H new ATOM 0 HD11 LEU A 80 9.168 -1.848 -10.335 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.529 -2.461 -10.662 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.457 -1.668 -11.957 1.00 0.00 H new ATOM 0 HD21 LEU A 80 9.585 0.578 -10.178 1.00 0.00 H new ATOM 0 HD22 LEU A 80 8.890 0.851 -11.793 1.00 0.00 H new ATOM 0 HD23 LEU A 80 8.251 1.737 -10.388 1.00 0.00 H new ATOM 531 N PRO A 81 3.458 0.851 -12.045 1.00 0.00 N ATOM 532 CA PRO A 81 2.490 1.274 -13.062 1.00 0.00 C ATOM 533 C PRO A 81 2.048 2.721 -12.876 1.00 0.00 C ATOM 534 O PRO A 81 1.918 3.470 -13.844 1.00 0.00 O ATOM 535 CB PRO A 81 1.311 0.322 -12.847 1.00 0.00 C ATOM 536 CG PRO A 81 1.914 -0.896 -12.236 1.00 0.00 C ATOM 537 CD PRO A 81 3.104 -0.446 -11.445 1.00 0.00 C ATOM 0 HA PRO A 81 2.911 1.233 -14.067 1.00 0.00 H new ATOM 0 HB2 PRO A 81 0.560 0.763 -12.192 1.00 0.00 H new ATOM 0 HB3 PRO A 81 0.814 0.088 -13.789 1.00 0.00 H new ATOM 0 HG2 PRO A 81 1.193 -1.402 -11.594 1.00 0.00 H new ATOM 0 HG3 PRO A 81 2.210 -1.608 -13.007 1.00 0.00 H new ATOM 0 HD2 PRO A 81 2.865 -0.345 -10.386 1.00 0.00 H new ATOM 0 HD3 PRO A 81 3.926 -1.158 -11.519 1.00 0.00 H new ATOM 545 N PHE A 82 1.818 3.109 -11.625 1.00 0.00 N ATOM 546 CA PHE A 82 1.389 4.466 -11.313 1.00 0.00 C ATOM 547 C PHE A 82 2.591 5.370 -11.051 1.00 0.00 C ATOM 548 O PHE A 82 2.705 6.452 -11.625 1.00 0.00 O ATOM 549 CB PHE A 82 0.464 4.465 -10.094 1.00 0.00 C ATOM 550 CG PHE A 82 -0.605 3.412 -10.155 1.00 0.00 C ATOM 551 CD1 PHE A 82 -1.818 3.673 -10.773 1.00 0.00 C ATOM 552 CD2 PHE A 82 -0.399 2.161 -9.596 1.00 0.00 C ATOM 553 CE1 PHE A 82 -2.803 2.706 -10.831 1.00 0.00 C ATOM 554 CE2 PHE A 82 -1.380 1.190 -9.651 1.00 0.00 C ATOM 555 CZ PHE A 82 -2.585 1.462 -10.270 1.00 0.00 C ATOM 0 H PHE A 82 1.922 2.502 -10.812 1.00 0.00 H new ATOM 0 HA PHE A 82 0.844 4.854 -12.174 1.00 0.00 H new ATOM 0 HB2 PHE A 82 1.061 4.314 -9.195 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -0.006 5.444 -10.004 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.995 4.643 -11.214 1.00 0.00 H new ATOM 0 HD2 PHE A 82 0.541 1.942 -9.111 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.744 2.922 -11.315 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -1.205 0.219 -9.211 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.354 0.705 -10.315 1.00 0.00 H new ATOM 565 N GLY A 83 3.487 4.915 -10.179 1.00 0.00 N ATOM 566 CA GLY A 83 4.668 5.694 -9.855 1.00 0.00 C ATOM 567 C GLY A 83 5.814 4.832 -9.364 1.00 0.00 C ATOM 568 O GLY A 83 5.622 3.664 -9.025 1.00 0.00 O ATOM 0 H GLY A 83 3.416 4.022 -9.692 1.00 0.00 H new ATOM 0 HA2 GLY A 83 4.987 6.249 -10.737 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.416 6.429 -9.090 1.00 0.00 H new ATOM 572 N LYS A 84 7.011 5.408 -9.328 1.00 0.00 N ATOM 573 CA LYS A 84 8.194 4.685 -8.875 1.00 0.00 C ATOM 574 C LYS A 84 8.185 4.520 -7.359 1.00 0.00 C ATOM 575 O LYS A 84 7.551 5.296 -6.644 1.00 0.00 O ATOM 576 CB LYS A 84 9.463 5.420 -9.311 1.00 0.00 C ATOM 577 CG LYS A 84 10.721 4.575 -9.204 1.00 0.00 C ATOM 578 CD LYS A 84 11.952 5.352 -9.642 1.00 0.00 C ATOM 579 CE LYS A 84 13.233 4.623 -9.267 1.00 0.00 C ATOM 580 NZ LYS A 84 14.382 5.047 -10.115 1.00 0.00 N ATOM 0 H LYS A 84 7.188 6.373 -9.607 1.00 0.00 H new ATOM 0 HA LYS A 84 8.180 3.695 -9.330 1.00 0.00 H new ATOM 0 HB2 LYS A 84 9.345 5.752 -10.342 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.583 6.315 -8.700 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.849 4.239 -8.175 1.00 0.00 H new ATOM 0 HG3 LYS A 84 10.615 3.682 -9.820 1.00 0.00 H new ATOM 0 HD2 LYS A 84 11.922 5.506 -10.721 1.00 0.00 H new ATOM 0 HD3 LYS A 84 11.945 6.339 -9.179 1.00 0.00 H new ATOM 0 HE2 LYS A 84 13.465 4.813 -8.219 1.00 0.00 H new ATOM 0 HE3 LYS A 84 13.083 3.548 -9.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 15.236 4.527 -9.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 14.171 4.842 -11.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 14.542 6.068 -9.997 1.00 0.00 H new ATOM 594 N VAL A 85 8.892 3.505 -6.874 1.00 0.00 N ATOM 595 CA VAL A 85 8.968 3.240 -5.442 1.00 0.00 C ATOM 596 C VAL A 85 10.294 3.718 -4.863 1.00 0.00 C ATOM 597 O VAL A 85 11.352 3.524 -5.464 1.00 0.00 O ATOM 598 CB VAL A 85 8.798 1.739 -5.139 1.00 0.00 C ATOM 599 CG1 VAL A 85 9.286 1.419 -3.735 1.00 0.00 C ATOM 600 CG2 VAL A 85 7.346 1.321 -5.316 1.00 0.00 C ATOM 0 H VAL A 85 9.421 2.852 -7.452 1.00 0.00 H new ATOM 0 HA VAL A 85 8.152 3.792 -4.975 1.00 0.00 H new ATOM 0 HB VAL A 85 9.404 1.173 -5.846 1.00 0.00 H new ATOM 0 HG11 VAL A 85 9.158 0.354 -3.539 1.00 0.00 H new ATOM 0 HG12 VAL A 85 10.341 1.680 -3.648 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.710 1.993 -3.010 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.244 0.258 -5.098 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.717 1.893 -4.634 1.00 0.00 H new ATOM 0 HG23 VAL A 85 7.035 1.512 -6.343 1.00 0.00 H new ATOM 610 N THR A 86 10.233 4.342 -3.692 1.00 0.00 N ATOM 611 CA THR A 86 11.429 4.849 -3.031 1.00 0.00 C ATOM 612 C THR A 86 11.658 4.148 -1.697 1.00 0.00 C ATOM 613 O THR A 86 12.794 3.851 -1.328 1.00 0.00 O ATOM 614 CB THR A 86 11.339 6.367 -2.793 1.00 0.00 C ATOM 615 OG1 THR A 86 10.152 6.677 -2.053 1.00 0.00 O ATOM 616 CG2 THR A 86 11.332 7.123 -4.112 1.00 0.00 C ATOM 0 H THR A 86 9.366 4.509 -3.181 1.00 0.00 H new ATOM 0 HA THR A 86 12.269 4.643 -3.695 1.00 0.00 H new ATOM 0 HB THR A 86 12.214 6.675 -2.221 1.00 0.00 H new ATOM 0 HG1 THR A 86 10.395 6.943 -1.142 1.00 0.00 H new ATOM 0 HG21 THR A 86 11.268 8.194 -3.917 1.00 0.00 H new ATOM 0 HG22 THR A 86 12.250 6.908 -4.659 1.00 0.00 H new ATOM 0 HG23 THR A 86 10.473 6.810 -4.706 1.00 0.00 H new ATOM 624 N ASN A 87 10.572 3.887 -0.977 1.00 0.00 N ATOM 625 CA ASN A 87 10.656 3.222 0.318 1.00 0.00 C ATOM 626 C ASN A 87 9.562 2.168 0.460 1.00 0.00 C ATOM 627 O ASN A 87 8.403 2.412 0.121 1.00 0.00 O ATOM 628 CB ASN A 87 10.543 4.245 1.449 1.00 0.00 C ATOM 629 CG ASN A 87 11.797 5.085 1.598 1.00 0.00 C ATOM 630 OD1 ASN A 87 12.862 4.725 1.094 1.00 0.00 O ATOM 631 ND2 ASN A 87 11.678 6.210 2.292 1.00 0.00 N ATOM 0 H ASN A 87 9.624 4.126 -1.268 1.00 0.00 H new ATOM 0 HA ASN A 87 11.625 2.726 0.381 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.692 4.899 1.260 1.00 0.00 H new ATOM 0 HB3 ASN A 87 10.344 3.725 2.386 1.00 0.00 H new ATOM 0 HD21 ASN A 87 12.488 6.815 2.425 1.00 0.00 H new ATOM 0 HD22 ASN A 87 10.776 6.469 2.692 1.00 0.00 H new ATOM 638 N ILE A 88 9.937 0.996 0.962 1.00 0.00 N ATOM 639 CA ILE A 88 8.988 -0.093 1.150 1.00 0.00 C ATOM 640 C ILE A 88 9.295 -0.877 2.422 1.00 0.00 C ATOM 641 O ILE A 88 10.455 -1.149 2.731 1.00 0.00 O ATOM 642 CB ILE A 88 8.997 -1.060 -0.049 1.00 0.00 C ATOM 643 CG1 ILE A 88 8.024 -2.216 0.193 1.00 0.00 C ATOM 644 CG2 ILE A 88 10.402 -1.586 -0.296 1.00 0.00 C ATOM 645 CD1 ILE A 88 7.890 -3.150 -0.989 1.00 0.00 C ATOM 0 H ILE A 88 10.892 0.777 1.246 1.00 0.00 H new ATOM 0 HA ILE A 88 8.000 0.360 1.235 1.00 0.00 H new ATOM 0 HB ILE A 88 8.673 -0.517 -0.937 1.00 0.00 H new ATOM 0 HG12 ILE A 88 8.358 -2.786 1.060 1.00 0.00 H new ATOM 0 HG13 ILE A 88 7.043 -1.809 0.438 1.00 0.00 H new ATOM 0 HG21 ILE A 88 10.391 -2.268 -1.146 1.00 0.00 H new ATOM 0 HG22 ILE A 88 11.071 -0.752 -0.508 1.00 0.00 H new ATOM 0 HG23 ILE A 88 10.753 -2.116 0.589 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.185 -3.945 -0.746 1.00 0.00 H new ATOM 0 HD12 ILE A 88 7.526 -2.594 -1.853 1.00 0.00 H new ATOM 0 HD13 ILE A 88 8.862 -3.585 -1.221 1.00 0.00 H new ATOM 657 N LEU A 89 8.247 -1.238 3.154 1.00 0.00 N ATOM 658 CA LEU A 89 8.403 -1.993 4.393 1.00 0.00 C ATOM 659 C LEU A 89 7.464 -3.195 4.420 1.00 0.00 C ATOM 660 O LEU A 89 6.246 -3.041 4.502 1.00 0.00 O ATOM 661 CB LEU A 89 8.133 -1.092 5.599 1.00 0.00 C ATOM 662 CG LEU A 89 8.510 -1.669 6.965 1.00 0.00 C ATOM 663 CD1 LEU A 89 10.016 -1.860 7.067 1.00 0.00 C ATOM 664 CD2 LEU A 89 8.009 -0.764 8.082 1.00 0.00 C ATOM 0 H LEU A 89 7.280 -1.020 2.912 1.00 0.00 H new ATOM 0 HA LEU A 89 9.429 -2.357 4.442 1.00 0.00 H new ATOM 0 HB2 LEU A 89 8.677 -0.158 5.459 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.072 -0.844 5.612 1.00 0.00 H new ATOM 0 HG LEU A 89 8.033 -2.643 7.071 1.00 0.00 H new ATOM 0 HD11 LEU A 89 10.265 -2.271 8.045 1.00 0.00 H new ATOM 0 HD12 LEU A 89 10.349 -2.547 6.289 1.00 0.00 H new ATOM 0 HD13 LEU A 89 10.514 -0.899 6.940 1.00 0.00 H new ATOM 0 HD21 LEU A 89 8.286 -1.189 9.047 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.458 0.224 7.979 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.924 -0.678 8.021 1.00 0.00 H new ATOM 676 N MET A 90 8.041 -4.390 4.355 1.00 0.00 N ATOM 677 CA MET A 90 7.255 -5.619 4.376 1.00 0.00 C ATOM 678 C MET A 90 7.400 -6.334 5.715 1.00 0.00 C ATOM 679 O MET A 90 8.512 -6.629 6.156 1.00 0.00 O ATOM 680 CB MET A 90 7.688 -6.546 3.240 1.00 0.00 C ATOM 681 CG MET A 90 7.083 -7.939 3.326 1.00 0.00 C ATOM 682 SD MET A 90 5.368 -7.986 2.770 1.00 0.00 S ATOM 683 CE MET A 90 5.492 -7.101 1.217 1.00 0.00 C ATOM 0 H MET A 90 9.049 -4.534 4.287 1.00 0.00 H new ATOM 0 HA MET A 90 6.207 -5.353 4.238 1.00 0.00 H new ATOM 0 HB2 MET A 90 7.408 -6.095 2.288 1.00 0.00 H new ATOM 0 HB3 MET A 90 8.775 -6.630 3.245 1.00 0.00 H new ATOM 0 HG2 MET A 90 7.676 -8.626 2.722 1.00 0.00 H new ATOM 0 HG3 MET A 90 7.137 -8.292 4.356 1.00 0.00 H new ATOM 0 HE1 MET A 90 4.702 -7.434 0.544 1.00 0.00 H new ATOM 0 HE2 MET A 90 5.387 -6.031 1.398 1.00 0.00 H new ATOM 0 HE3 MET A 90 6.463 -7.299 0.762 1.00 0.00 H new ATOM 693 N LEU A 91 6.271 -6.610 6.359 1.00 0.00 N ATOM 694 CA LEU A 91 6.273 -7.291 7.649 1.00 0.00 C ATOM 695 C LEU A 91 6.159 -8.802 7.468 1.00 0.00 C ATOM 696 O LEU A 91 5.354 -9.284 6.670 1.00 0.00 O ATOM 697 CB LEU A 91 5.122 -6.783 8.518 1.00 0.00 C ATOM 698 CG LEU A 91 5.154 -5.295 8.872 1.00 0.00 C ATOM 699 CD1 LEU A 91 3.885 -4.894 9.607 1.00 0.00 C ATOM 700 CD2 LEU A 91 6.383 -4.972 9.709 1.00 0.00 C ATOM 0 H LEU A 91 5.343 -6.373 6.009 1.00 0.00 H new ATOM 0 HA LEU A 91 7.219 -7.073 8.145 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.184 -6.993 8.003 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.113 -7.356 9.445 1.00 0.00 H new ATOM 0 HG LEU A 91 5.209 -4.722 7.946 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.926 -3.832 9.851 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.020 -5.088 8.972 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.798 -5.474 10.526 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.389 -3.909 9.951 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.359 -5.554 10.630 1.00 0.00 H new ATOM 0 HD23 LEU A 91 7.282 -5.221 9.146 1.00 0.00 H new ATOM 763 N ASN A 95 0.387 -10.187 7.852 1.00 0.00 N ATOM 764 CA ASN A 95 0.367 -10.047 6.401 1.00 0.00 C ATOM 765 C ASN A 95 0.049 -8.611 5.997 1.00 0.00 C ATOM 766 O ASN A 95 -1.071 -8.305 5.589 1.00 0.00 O ATOM 767 CB ASN A 95 -0.662 -11.000 5.790 1.00 0.00 C ATOM 768 CG ASN A 95 -0.718 -12.332 6.514 1.00 0.00 C ATOM 769 OD1 ASN A 95 0.113 -13.210 6.286 1.00 0.00 O ATOM 770 ND2 ASN A 95 -1.702 -12.487 7.392 1.00 0.00 N ATOM 0 HA ASN A 95 1.357 -10.301 6.023 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -1.647 -10.533 5.817 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -0.418 -11.170 4.741 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -1.791 -13.362 7.909 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -2.369 -11.731 7.549 1.00 0.00 H new ATOM 777 N GLN A 96 1.043 -7.736 6.112 1.00 0.00 N ATOM 778 CA GLN A 96 0.868 -6.331 5.760 1.00 0.00 C ATOM 779 C GLN A 96 2.208 -5.683 5.426 1.00 0.00 C ATOM 780 O GLN A 96 3.266 -6.205 5.778 1.00 0.00 O ATOM 781 CB GLN A 96 0.193 -5.576 6.906 1.00 0.00 C ATOM 782 CG GLN A 96 0.507 -6.147 8.280 1.00 0.00 C ATOM 783 CD GLN A 96 0.414 -5.107 9.379 1.00 0.00 C ATOM 784 OE1 GLN A 96 -0.255 -5.316 10.391 1.00 0.00 O ATOM 785 NE2 GLN A 96 1.088 -3.979 9.186 1.00 0.00 N ATOM 0 H GLN A 96 1.977 -7.974 6.446 1.00 0.00 H new ATOM 0 HA GLN A 96 0.231 -6.280 4.877 1.00 0.00 H new ATOM 0 HB2 GLN A 96 0.505 -4.532 6.876 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -0.886 -5.591 6.754 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -0.183 -6.962 8.497 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.510 -6.573 8.272 1.00 0.00 H new ATOM 0 HE21 GLN A 96 1.630 -3.848 8.332 1.00 0.00 H new ATOM 0 HE22 GLN A 96 1.064 -3.243 9.892 1.00 0.00 H new ATOM 794 N ALA A 97 2.155 -4.543 4.746 1.00 0.00 N ATOM 795 CA ALA A 97 3.365 -3.824 4.367 1.00 0.00 C ATOM 796 C ALA A 97 3.047 -2.385 3.973 1.00 0.00 C ATOM 797 O ALA A 97 1.923 -2.072 3.582 1.00 0.00 O ATOM 798 CB ALA A 97 4.070 -4.541 3.225 1.00 0.00 C ATOM 0 H ALA A 97 1.288 -4.097 4.446 1.00 0.00 H new ATOM 0 HA ALA A 97 4.029 -3.800 5.231 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.972 -3.993 2.953 1.00 0.00 H new ATOM 0 HB2 ALA A 97 4.339 -5.549 3.540 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.404 -4.595 2.364 1.00 0.00 H new ATOM 804 N PHE A 98 4.044 -1.513 4.081 1.00 0.00 N ATOM 805 CA PHE A 98 3.870 -0.107 3.738 1.00 0.00 C ATOM 806 C PHE A 98 4.714 0.266 2.522 1.00 0.00 C ATOM 807 O PHE A 98 5.928 0.063 2.509 1.00 0.00 O ATOM 808 CB PHE A 98 4.248 0.780 4.926 1.00 0.00 C ATOM 809 CG PHE A 98 3.374 0.575 6.130 1.00 0.00 C ATOM 810 CD1 PHE A 98 3.511 -0.558 6.916 1.00 0.00 C ATOM 811 CD2 PHE A 98 2.417 1.514 6.476 1.00 0.00 C ATOM 812 CE1 PHE A 98 2.707 -0.750 8.024 1.00 0.00 C ATOM 813 CE2 PHE A 98 1.610 1.328 7.583 1.00 0.00 C ATOM 814 CZ PHE A 98 1.757 0.194 8.359 1.00 0.00 C ATOM 0 H PHE A 98 4.981 -1.756 4.403 1.00 0.00 H new ATOM 0 HA PHE A 98 2.820 0.053 3.492 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.284 0.582 5.201 1.00 0.00 H new ATOM 0 HB3 PHE A 98 4.193 1.825 4.621 1.00 0.00 H new ATOM 0 HD1 PHE A 98 4.254 -1.299 6.660 1.00 0.00 H new ATOM 0 HD2 PHE A 98 2.300 2.403 5.874 1.00 0.00 H new ATOM 0 HE1 PHE A 98 2.822 -1.638 8.627 1.00 0.00 H new ATOM 0 HE2 PHE A 98 0.866 2.067 7.841 1.00 0.00 H new ATOM 0 HZ PHE A 98 1.130 0.047 9.226 1.00 0.00 H new ATOM 824 N LEU A 99 4.061 0.811 1.502 1.00 0.00 N ATOM 825 CA LEU A 99 4.749 1.211 0.280 1.00 0.00 C ATOM 826 C LEU A 99 4.809 2.730 0.160 1.00 0.00 C ATOM 827 O LEU A 99 3.904 3.432 0.610 1.00 0.00 O ATOM 828 CB LEU A 99 4.045 0.619 -0.943 1.00 0.00 C ATOM 829 CG LEU A 99 4.877 0.540 -2.224 1.00 0.00 C ATOM 830 CD1 LEU A 99 5.846 -0.629 -2.159 1.00 0.00 C ATOM 831 CD2 LEU A 99 3.972 0.419 -3.441 1.00 0.00 C ATOM 0 H LEU A 99 3.056 0.986 1.497 1.00 0.00 H new ATOM 0 HA LEU A 99 5.769 0.828 0.326 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.706 -0.386 -0.691 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.155 1.214 -1.148 1.00 0.00 H new ATOM 0 HG LEU A 99 5.455 1.459 -2.317 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.429 -0.670 -3.079 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.516 -0.499 -1.309 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.288 -1.558 -2.042 1.00 0.00 H new ATOM 0 HD21 LEU A 99 4.581 0.364 -4.343 1.00 0.00 H new ATOM 0 HD22 LEU A 99 3.367 -0.484 -3.356 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.319 1.290 -3.497 1.00 0.00 H new ATOM 843 N GLU A 100 5.880 3.230 -0.449 1.00 0.00 N ATOM 844 CA GLU A 100 6.056 4.666 -0.627 1.00 0.00 C ATOM 845 C GLU A 100 6.579 4.981 -2.025 1.00 0.00 C ATOM 846 O GLU A 100 7.624 4.476 -2.438 1.00 0.00 O ATOM 847 CB GLU A 100 7.019 5.219 0.426 1.00 0.00 C ATOM 848 CG GLU A 100 7.513 6.624 0.121 1.00 0.00 C ATOM 849 CD GLU A 100 8.644 7.055 1.034 1.00 0.00 C ATOM 850 OE1 GLU A 100 8.473 6.978 2.268 1.00 0.00 O ATOM 851 OE2 GLU A 100 9.700 7.471 0.513 1.00 0.00 O ATOM 0 H GLU A 100 6.638 2.662 -0.827 1.00 0.00 H new ATOM 0 HA GLU A 100 5.083 5.143 -0.506 1.00 0.00 H new ATOM 0 HB2 GLU A 100 6.522 5.220 1.396 1.00 0.00 H new ATOM 0 HB3 GLU A 100 7.877 4.551 0.508 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.849 6.670 -0.915 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.685 7.326 0.219 1.00 0.00 H new ATOM 858 N LEU A 101 5.844 5.817 -2.750 1.00 0.00 N ATOM 859 CA LEU A 101 6.231 6.200 -4.104 1.00 0.00 C ATOM 860 C LEU A 101 6.894 7.574 -4.112 1.00 0.00 C ATOM 861 O LEU A 101 6.721 8.363 -3.184 1.00 0.00 O ATOM 862 CB LEU A 101 5.010 6.204 -5.024 1.00 0.00 C ATOM 863 CG LEU A 101 4.363 4.844 -5.287 1.00 0.00 C ATOM 864 CD1 LEU A 101 3.543 4.401 -4.085 1.00 0.00 C ATOM 865 CD2 LEU A 101 3.495 4.899 -6.536 1.00 0.00 C ATOM 0 H LEU A 101 4.977 6.243 -2.423 1.00 0.00 H new ATOM 0 HA LEU A 101 6.950 5.468 -4.471 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.258 6.865 -4.593 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.303 6.636 -5.981 1.00 0.00 H new ATOM 0 HG LEU A 101 5.154 4.112 -5.450 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.090 3.431 -4.291 1.00 0.00 H new ATOM 0 HD12 LEU A 101 4.191 4.321 -3.212 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.759 5.133 -3.889 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.042 3.922 -6.708 1.00 0.00 H new ATOM 0 HD22 LEU A 101 2.711 5.644 -6.401 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.109 5.170 -7.394 1.00 0.00 H new ATOM 877 N ALA A 102 7.651 7.854 -5.168 1.00 0.00 N ATOM 878 CA ALA A 102 8.336 9.133 -5.301 1.00 0.00 C ATOM 879 C ALA A 102 7.369 10.296 -5.098 1.00 0.00 C ATOM 880 O ALA A 102 7.575 11.145 -4.231 1.00 0.00 O ATOM 881 CB ALA A 102 9.009 9.234 -6.661 1.00 0.00 C ATOM 0 H ALA A 102 7.805 7.211 -5.945 1.00 0.00 H new ATOM 0 HA ALA A 102 9.101 9.190 -4.526 1.00 0.00 H new ATOM 0 HB1 ALA A 102 9.516 10.195 -6.745 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.736 8.429 -6.768 1.00 0.00 H new ATOM 0 HB3 ALA A 102 8.257 9.151 -7.446 1.00 0.00 H new ATOM 887 N THR A 103 6.314 10.329 -5.907 1.00 0.00 N ATOM 888 CA THR A 103 5.317 11.389 -5.818 1.00 0.00 C ATOM 889 C THR A 103 4.088 10.925 -5.045 1.00 0.00 C ATOM 890 O THR A 103 3.845 9.725 -4.911 1.00 0.00 O ATOM 891 CB THR A 103 4.879 11.866 -7.216 1.00 0.00 C ATOM 892 OG1 THR A 103 4.491 10.745 -8.017 1.00 0.00 O ATOM 893 CG2 THR A 103 6.003 12.624 -7.906 1.00 0.00 C ATOM 0 H THR A 103 6.128 9.634 -6.630 1.00 0.00 H new ATOM 0 HA THR A 103 5.785 12.219 -5.288 1.00 0.00 H new ATOM 0 HB THR A 103 4.029 12.538 -7.096 1.00 0.00 H new ATOM 0 HG1 THR A 103 4.212 11.057 -8.903 1.00 0.00 H new ATOM 0 HG21 THR A 103 5.670 12.951 -8.891 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.276 13.494 -7.308 1.00 0.00 H new ATOM 0 HG23 THR A 103 6.869 11.971 -8.014 1.00 0.00 H new ATOM 901 N GLU A 104 3.318 11.881 -4.537 1.00 0.00 N ATOM 902 CA GLU A 104 2.114 11.568 -3.775 1.00 0.00 C ATOM 903 C GLU A 104 0.923 11.351 -4.706 1.00 0.00 C ATOM 904 O GLU A 104 -0.033 10.661 -4.356 1.00 0.00 O ATOM 905 CB GLU A 104 1.803 12.692 -2.785 1.00 0.00 C ATOM 906 CG GLU A 104 1.274 13.955 -3.444 1.00 0.00 C ATOM 907 CD GLU A 104 2.381 14.867 -3.932 1.00 0.00 C ATOM 908 OE1 GLU A 104 2.926 15.632 -3.108 1.00 0.00 O ATOM 909 OE2 GLU A 104 2.703 14.817 -5.137 1.00 0.00 O ATOM 0 H GLU A 104 3.506 12.878 -4.639 1.00 0.00 H new ATOM 0 HA GLU A 104 2.294 10.646 -3.222 1.00 0.00 H new ATOM 0 HB2 GLU A 104 1.070 12.335 -2.062 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.708 12.935 -2.228 1.00 0.00 H new ATOM 0 HG2 GLU A 104 0.637 13.682 -4.285 1.00 0.00 H new ATOM 0 HG3 GLU A 104 0.649 14.496 -2.734 1.00 0.00 H new ATOM 916 N GLU A 105 0.990 11.948 -5.892 1.00 0.00 N ATOM 917 CA GLU A 105 -0.082 11.822 -6.872 1.00 0.00 C ATOM 918 C GLU A 105 -0.201 10.383 -7.366 1.00 0.00 C ATOM 919 O GLU A 105 -1.283 9.931 -7.739 1.00 0.00 O ATOM 920 CB GLU A 105 0.164 12.760 -8.054 1.00 0.00 C ATOM 921 CG GLU A 105 1.477 12.500 -8.774 1.00 0.00 C ATOM 922 CD GLU A 105 1.901 13.662 -9.652 1.00 0.00 C ATOM 923 OE1 GLU A 105 2.276 14.717 -9.100 1.00 0.00 O ATOM 924 OE2 GLU A 105 1.857 13.515 -10.892 1.00 0.00 O ATOM 0 H GLU A 105 1.775 12.523 -6.197 1.00 0.00 H new ATOM 0 HA GLU A 105 -1.018 12.100 -6.387 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -0.657 12.659 -8.764 1.00 0.00 H new ATOM 0 HB3 GLU A 105 0.152 13.790 -7.698 1.00 0.00 H new ATOM 0 HG2 GLU A 105 2.257 12.301 -8.039 1.00 0.00 H new ATOM 0 HG3 GLU A 105 1.380 11.603 -9.386 1.00 0.00 H new ATOM 931 N ALA A 106 0.920 9.669 -7.366 1.00 0.00 N ATOM 932 CA ALA A 106 0.942 8.281 -7.812 1.00 0.00 C ATOM 933 C ALA A 106 0.062 7.406 -6.927 1.00 0.00 C ATOM 934 O ALA A 106 -0.608 6.493 -7.410 1.00 0.00 O ATOM 935 CB ALA A 106 2.369 7.754 -7.827 1.00 0.00 C ATOM 0 H ALA A 106 1.825 10.029 -7.062 1.00 0.00 H new ATOM 0 HA ALA A 106 0.542 8.245 -8.825 1.00 0.00 H new ATOM 0 HB1 ALA A 106 2.370 6.717 -8.162 1.00 0.00 H new ATOM 0 HB2 ALA A 106 2.972 8.356 -8.507 1.00 0.00 H new ATOM 0 HB3 ALA A 106 2.789 7.811 -6.823 1.00 0.00 H new ATOM 941 N ALA A 107 0.070 7.689 -5.629 1.00 0.00 N ATOM 942 CA ALA A 107 -0.728 6.927 -4.676 1.00 0.00 C ATOM 943 C ALA A 107 -2.214 7.229 -4.840 1.00 0.00 C ATOM 944 O ALA A 107 -3.035 6.316 -4.937 1.00 0.00 O ATOM 945 CB ALA A 107 -0.281 7.227 -3.253 1.00 0.00 C ATOM 0 H ALA A 107 0.620 8.440 -5.213 1.00 0.00 H new ATOM 0 HA ALA A 107 -0.574 5.867 -4.877 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -0.886 6.651 -2.553 1.00 0.00 H new ATOM 0 HB2 ALA A 107 0.768 6.955 -3.136 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -0.404 8.291 -3.049 1.00 0.00 H new ATOM 951 N ILE A 108 -2.552 8.513 -4.868 1.00 0.00 N ATOM 952 CA ILE A 108 -3.940 8.935 -5.022 1.00 0.00 C ATOM 953 C ILE A 108 -4.633 8.150 -6.129 1.00 0.00 C ATOM 954 O ILE A 108 -5.635 7.473 -5.893 1.00 0.00 O ATOM 955 CB ILE A 108 -4.040 10.439 -5.334 1.00 0.00 C ATOM 956 CG1 ILE A 108 -3.388 11.258 -4.218 1.00 0.00 C ATOM 957 CG2 ILE A 108 -5.495 10.846 -5.516 1.00 0.00 C ATOM 958 CD1 ILE A 108 -3.299 12.736 -4.526 1.00 0.00 C ATOM 0 H ILE A 108 -1.885 9.280 -4.786 1.00 0.00 H new ATOM 0 HA ILE A 108 -4.437 8.736 -4.073 1.00 0.00 H new ATOM 0 HB ILE A 108 -3.508 10.639 -6.264 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -3.956 11.120 -3.298 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -2.385 10.872 -4.034 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -5.550 11.912 -5.736 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -5.930 10.282 -6.341 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -6.049 10.635 -4.601 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -2.826 13.254 -3.691 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -2.706 12.885 -5.428 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -4.301 13.136 -4.681 1.00 0.00 H new ATOM 970 N THR A 109 -4.094 8.243 -7.340 1.00 0.00 N ATOM 971 CA THR A 109 -4.659 7.541 -8.486 1.00 0.00 C ATOM 972 C THR A 109 -4.569 6.030 -8.304 1.00 0.00 C ATOM 973 O THR A 109 -5.452 5.290 -8.737 1.00 0.00 O ATOM 974 CB THR A 109 -3.947 7.933 -9.794 1.00 0.00 C ATOM 975 OG1 THR A 109 -4.022 9.351 -9.986 1.00 0.00 O ATOM 976 CG2 THR A 109 -4.571 7.222 -10.985 1.00 0.00 C ATOM 0 H THR A 109 -3.265 8.798 -7.553 1.00 0.00 H new ATOM 0 HA THR A 109 -5.707 7.835 -8.551 1.00 0.00 H new ATOM 0 HB THR A 109 -2.903 7.631 -9.718 1.00 0.00 H new ATOM 0 HG1 THR A 109 -3.566 9.593 -10.819 1.00 0.00 H new ATOM 0 HG21 THR A 109 -4.051 7.515 -11.897 1.00 0.00 H new ATOM 0 HG22 THR A 109 -4.487 6.144 -10.850 1.00 0.00 H new ATOM 0 HG23 THR A 109 -5.623 7.497 -11.063 1.00 0.00 H new ATOM 984 N MET A 110 -3.496 5.579 -7.663 1.00 0.00 N ATOM 985 CA MET A 110 -3.292 4.155 -7.423 1.00 0.00 C ATOM 986 C MET A 110 -4.476 3.555 -6.673 1.00 0.00 C ATOM 987 O MET A 110 -5.187 2.698 -7.200 1.00 0.00 O ATOM 988 CB MET A 110 -2.003 3.929 -6.630 1.00 0.00 C ATOM 989 CG MET A 110 -1.715 2.465 -6.343 1.00 0.00 C ATOM 990 SD MET A 110 -0.046 2.195 -5.716 1.00 0.00 S ATOM 991 CE MET A 110 -0.225 0.579 -4.963 1.00 0.00 C ATOM 0 H MET A 110 -2.755 6.178 -7.301 1.00 0.00 H new ATOM 0 HA MET A 110 -3.207 3.658 -8.389 1.00 0.00 H new ATOM 0 HB2 MET A 110 -1.166 4.354 -7.184 1.00 0.00 H new ATOM 0 HB3 MET A 110 -2.067 4.470 -5.686 1.00 0.00 H new ATOM 0 HG2 MET A 110 -2.437 2.093 -5.616 1.00 0.00 H new ATOM 0 HG3 MET A 110 -1.854 1.886 -7.256 1.00 0.00 H new ATOM 0 HE1 MET A 110 0.727 0.272 -4.529 1.00 0.00 H new ATOM 0 HE2 MET A 110 -0.983 0.624 -4.181 1.00 0.00 H new ATOM 0 HE3 MET A 110 -0.528 -0.144 -5.720 1.00 0.00 H new ATOM 1001 N VAL A 111 -4.683 4.008 -5.441 1.00 0.00 N ATOM 1002 CA VAL A 111 -5.782 3.516 -4.619 1.00 0.00 C ATOM 1003 C VAL A 111 -7.077 3.446 -5.419 1.00 0.00 C ATOM 1004 O VAL A 111 -7.708 2.393 -5.508 1.00 0.00 O ATOM 1005 CB VAL A 111 -6.001 4.409 -3.383 1.00 0.00 C ATOM 1006 CG1 VAL A 111 -7.129 3.860 -2.522 1.00 0.00 C ATOM 1007 CG2 VAL A 111 -4.716 4.532 -2.580 1.00 0.00 C ATOM 0 H VAL A 111 -4.103 4.716 -4.990 1.00 0.00 H new ATOM 0 HA VAL A 111 -5.508 2.514 -4.289 1.00 0.00 H new ATOM 0 HB VAL A 111 -6.286 5.405 -3.721 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -7.270 4.503 -1.653 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -8.050 3.830 -3.104 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -6.877 2.853 -2.190 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -4.889 5.166 -1.711 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -4.397 3.543 -2.250 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -3.939 4.975 -3.203 1.00 0.00 H new ATOM 1017 N ASN A 112 -7.469 4.575 -6.001 1.00 0.00 N ATOM 1018 CA ASN A 112 -8.691 4.642 -6.795 1.00 0.00 C ATOM 1019 C ASN A 112 -8.798 3.442 -7.731 1.00 0.00 C ATOM 1020 O ASN A 112 -9.750 2.664 -7.654 1.00 0.00 O ATOM 1021 CB ASN A 112 -8.728 5.939 -7.604 1.00 0.00 C ATOM 1022 CG ASN A 112 -9.380 7.078 -6.843 1.00 0.00 C ATOM 1023 OD1 ASN A 112 -10.281 7.745 -7.354 1.00 0.00 O ATOM 1024 ND2 ASN A 112 -8.927 7.305 -5.616 1.00 0.00 N ATOM 0 H ASN A 112 -6.958 5.456 -5.938 1.00 0.00 H new ATOM 0 HA ASN A 112 -9.540 4.624 -6.112 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -7.712 6.223 -7.877 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -9.271 5.769 -8.533 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -9.327 8.058 -5.056 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -8.179 6.727 -5.233 1.00 0.00 H new ATOM 1031 N TYR A 113 -7.815 3.297 -8.612 1.00 0.00 N ATOM 1032 CA TYR A 113 -7.800 2.194 -9.565 1.00 0.00 C ATOM 1033 C TYR A 113 -8.327 0.914 -8.924 1.00 0.00 C ATOM 1034 O TYR A 113 -9.086 0.164 -9.540 1.00 0.00 O ATOM 1035 CB TYR A 113 -6.380 1.967 -10.090 1.00 0.00 C ATOM 1036 CG TYR A 113 -6.278 0.829 -11.082 1.00 0.00 C ATOM 1037 CD1 TYR A 113 -6.663 1.001 -12.407 1.00 0.00 C ATOM 1038 CD2 TYR A 113 -5.795 -0.414 -10.696 1.00 0.00 C ATOM 1039 CE1 TYR A 113 -6.571 -0.035 -13.316 1.00 0.00 C ATOM 1040 CE2 TYR A 113 -5.698 -1.455 -11.599 1.00 0.00 C ATOM 1041 CZ TYR A 113 -6.088 -1.260 -12.908 1.00 0.00 C ATOM 1042 OH TYR A 113 -5.994 -2.295 -13.811 1.00 0.00 O ATOM 0 H TYR A 113 -7.018 3.929 -8.686 1.00 0.00 H new ATOM 0 HA TYR A 113 -8.452 2.457 -10.398 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -6.025 2.883 -10.562 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -5.718 1.765 -9.248 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -7.040 1.960 -12.731 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -5.490 -0.570 -9.672 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -6.876 0.114 -14.341 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -5.319 -2.416 -11.282 1.00 0.00 H new ATOM 0 HH TYR A 113 -5.634 -3.088 -13.363 1.00 0.00 H new ATOM 1052 N TYR A 114 -7.921 0.670 -7.684 1.00 0.00 N ATOM 1053 CA TYR A 114 -8.350 -0.520 -6.957 1.00 0.00 C ATOM 1054 C TYR A 114 -9.699 -0.290 -6.284 1.00 0.00 C ATOM 1055 O TYR A 114 -10.500 -1.213 -6.143 1.00 0.00 O ATOM 1056 CB TYR A 114 -7.304 -0.910 -5.911 1.00 0.00 C ATOM 1057 CG TYR A 114 -6.021 -1.445 -6.507 1.00 0.00 C ATOM 1058 CD1 TYR A 114 -6.031 -2.552 -7.346 1.00 0.00 C ATOM 1059 CD2 TYR A 114 -4.801 -0.842 -6.232 1.00 0.00 C ATOM 1060 CE1 TYR A 114 -4.861 -3.046 -7.891 1.00 0.00 C ATOM 1061 CE2 TYR A 114 -3.626 -1.327 -6.774 1.00 0.00 C ATOM 1062 CZ TYR A 114 -3.661 -2.428 -7.603 1.00 0.00 C ATOM 1063 OH TYR A 114 -2.494 -2.915 -8.145 1.00 0.00 O ATOM 0 H TYR A 114 -7.294 1.281 -7.160 1.00 0.00 H new ATOM 0 HA TYR A 114 -8.457 -1.334 -7.674 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -7.074 -0.039 -5.297 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -7.729 -1.664 -5.248 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -6.969 -3.035 -7.576 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -4.770 0.021 -5.583 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -4.886 -3.910 -8.538 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -2.685 -0.846 -6.549 1.00 0.00 H new ATOM 0 HH TYR A 114 -1.784 -2.247 -8.047 1.00 0.00 H new ATOM 1073 N SER A 115 -9.943 0.949 -5.871 1.00 0.00 N ATOM 1074 CA SER A 115 -11.193 1.303 -5.209 1.00 0.00 C ATOM 1075 C SER A 115 -12.364 0.533 -5.813 1.00 0.00 C ATOM 1076 O SER A 115 -13.227 0.031 -5.095 1.00 0.00 O ATOM 1077 CB SER A 115 -11.446 2.807 -5.319 1.00 0.00 C ATOM 1078 OG SER A 115 -12.576 3.192 -4.556 1.00 0.00 O ATOM 0 H SER A 115 -9.291 1.725 -5.983 1.00 0.00 H new ATOM 0 HA SER A 115 -11.107 1.033 -4.156 1.00 0.00 H new ATOM 0 HB2 SER A 115 -10.568 3.353 -4.974 1.00 0.00 H new ATOM 0 HB3 SER A 115 -11.600 3.077 -6.364 1.00 0.00 H new ATOM 0 HG SER A 115 -12.715 4.158 -4.642 1.00 0.00 H new ATOM 1084 N ALA A 116 -12.385 0.446 -7.139 1.00 0.00 N ATOM 1085 CA ALA A 116 -13.447 -0.263 -7.842 1.00 0.00 C ATOM 1086 C ALA A 116 -12.991 -1.655 -8.264 1.00 0.00 C ATOM 1087 O ALA A 116 -13.755 -2.618 -8.192 1.00 0.00 O ATOM 1088 CB ALA A 116 -13.904 0.536 -9.052 1.00 0.00 C ATOM 0 H ALA A 116 -11.678 0.858 -7.748 1.00 0.00 H new ATOM 0 HA ALA A 116 -14.288 -0.377 -7.159 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -14.697 -0.006 -9.567 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -14.279 1.506 -8.727 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -13.064 0.681 -9.731 1.00 0.00 H new ATOM 1094 N VAL A 117 -11.742 -1.755 -8.707 1.00 0.00 N ATOM 1095 CA VAL A 117 -11.184 -3.030 -9.142 1.00 0.00 C ATOM 1096 C VAL A 117 -10.582 -3.794 -7.968 1.00 0.00 C ATOM 1097 O VAL A 117 -9.787 -3.251 -7.200 1.00 0.00 O ATOM 1098 CB VAL A 117 -10.103 -2.831 -10.221 1.00 0.00 C ATOM 1099 CG1 VAL A 117 -9.530 -4.171 -10.655 1.00 0.00 C ATOM 1100 CG2 VAL A 117 -10.671 -2.074 -11.411 1.00 0.00 C ATOM 0 H VAL A 117 -11.097 -0.968 -8.774 1.00 0.00 H new ATOM 0 HA VAL A 117 -12.005 -3.608 -9.565 1.00 0.00 H new ATOM 0 HB VAL A 117 -9.294 -2.237 -9.795 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -8.768 -4.011 -11.418 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -9.084 -4.671 -9.796 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -10.327 -4.792 -11.063 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -9.893 -1.942 -12.163 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -11.499 -2.638 -11.840 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -11.028 -1.098 -11.084 1.00 0.00 H new ATOM 1110 N THR A 118 -10.964 -5.061 -7.836 1.00 0.00 N ATOM 1111 CA THR A 118 -10.462 -5.902 -6.756 1.00 0.00 C ATOM 1112 C THR A 118 -9.345 -6.816 -7.244 1.00 0.00 C ATOM 1113 O THR A 118 -9.576 -7.792 -7.959 1.00 0.00 O ATOM 1114 CB THR A 118 -11.584 -6.763 -6.146 1.00 0.00 C ATOM 1115 OG1 THR A 118 -12.717 -5.943 -5.837 1.00 0.00 O ATOM 1116 CG2 THR A 118 -11.103 -7.466 -4.886 1.00 0.00 C ATOM 0 H THR A 118 -11.619 -5.527 -8.464 1.00 0.00 H new ATOM 0 HA THR A 118 -10.071 -5.232 -5.990 1.00 0.00 H new ATOM 0 HB THR A 118 -11.870 -7.519 -6.878 1.00 0.00 H new ATOM 0 HG1 THR A 118 -13.427 -6.498 -5.451 1.00 0.00 H new ATOM 0 HG21 THR A 118 -11.913 -8.068 -4.473 1.00 0.00 H new ATOM 0 HG22 THR A 118 -10.259 -8.111 -5.129 1.00 0.00 H new ATOM 0 HG23 THR A 118 -10.792 -6.723 -4.151 1.00 0.00 H new ATOM 1124 N PRO A 119 -8.102 -6.496 -6.853 1.00 0.00 N ATOM 1125 CA PRO A 119 -6.923 -7.278 -7.238 1.00 0.00 C ATOM 1126 C PRO A 119 -6.783 -8.556 -6.420 1.00 0.00 C ATOM 1127 O PRO A 119 -7.518 -8.773 -5.456 1.00 0.00 O ATOM 1128 CB PRO A 119 -5.758 -6.328 -6.951 1.00 0.00 C ATOM 1129 CG PRO A 119 -6.250 -5.445 -5.858 1.00 0.00 C ATOM 1130 CD PRO A 119 -7.752 -5.347 -6.001 1.00 0.00 C ATOM 0 HA PRO A 119 -6.974 -7.609 -8.275 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -4.866 -6.876 -6.646 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -5.491 -5.751 -7.836 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -5.983 -5.854 -4.884 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -5.792 -4.458 -5.926 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -8.250 -5.401 -5.033 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -8.049 -4.404 -6.460 1.00 0.00 H new ATOM 1138 N HIS A 120 -5.834 -9.401 -6.810 1.00 0.00 N ATOM 1139 CA HIS A 120 -5.596 -10.659 -6.111 1.00 0.00 C ATOM 1140 C HIS A 120 -4.191 -11.182 -6.396 1.00 0.00 C ATOM 1141 O HIS A 120 -3.894 -11.622 -7.507 1.00 0.00 O ATOM 1142 CB HIS A 120 -6.634 -11.703 -6.526 1.00 0.00 C ATOM 1143 CG HIS A 120 -8.016 -11.144 -6.676 1.00 0.00 C ATOM 1144 ND1 HIS A 120 -8.948 -11.156 -5.660 1.00 0.00 N ATOM 1145 CD2 HIS A 120 -8.622 -10.553 -7.733 1.00 0.00 C ATOM 1146 CE1 HIS A 120 -10.067 -10.599 -6.085 1.00 0.00 C ATOM 1147 NE2 HIS A 120 -9.896 -10.225 -7.341 1.00 0.00 N ATOM 0 H HIS A 120 -5.217 -9.238 -7.606 1.00 0.00 H new ATOM 0 HA HIS A 120 -5.686 -10.473 -5.041 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -6.328 -12.153 -7.471 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -6.652 -12.501 -5.784 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -8.184 -10.373 -8.704 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -10.969 -10.471 -5.505 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -10.597 -9.767 -7.924 1.00 0.00 H new ATOM 1155 N LEU A 121 -3.330 -11.130 -5.385 1.00 0.00 N ATOM 1156 CA LEU A 121 -1.955 -11.599 -5.527 1.00 0.00 C ATOM 1157 C LEU A 121 -1.844 -13.077 -5.172 1.00 0.00 C ATOM 1158 O LEU A 121 -2.433 -13.537 -4.193 1.00 0.00 O ATOM 1159 CB LEU A 121 -1.022 -10.777 -4.636 1.00 0.00 C ATOM 1160 CG LEU A 121 -0.629 -9.397 -5.168 1.00 0.00 C ATOM 1161 CD1 LEU A 121 -0.091 -8.526 -4.043 1.00 0.00 C ATOM 1162 CD2 LEU A 121 0.398 -9.528 -6.283 1.00 0.00 C ATOM 0 H LEU A 121 -3.559 -10.768 -4.459 1.00 0.00 H new ATOM 0 HA LEU A 121 -1.659 -11.472 -6.568 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -1.500 -10.647 -3.665 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -0.112 -11.353 -4.469 1.00 0.00 H new ATOM 0 HG LEU A 121 -1.519 -8.918 -5.577 1.00 0.00 H new ATOM 0 HD11 LEU A 121 0.184 -7.548 -4.439 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -0.858 -8.405 -3.278 1.00 0.00 H new ATOM 0 HD13 LEU A 121 0.787 -9.000 -3.605 1.00 0.00 H new ATOM 0 HD21 LEU A 121 0.666 -8.537 -6.649 1.00 0.00 H new ATOM 0 HD22 LEU A 121 1.289 -10.026 -5.901 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -0.024 -10.115 -7.099 1.00 0.00 H new ATOM 1174 N ARG A 122 -1.084 -13.818 -5.972 1.00 0.00 N ATOM 1175 CA ARG A 122 -0.894 -15.244 -5.742 1.00 0.00 C ATOM 1176 C ARG A 122 -2.225 -15.928 -5.442 1.00 0.00 C ATOM 1177 O ARG A 122 -2.292 -16.847 -4.627 1.00 0.00 O ATOM 1178 CB ARG A 122 0.079 -15.471 -4.584 1.00 0.00 C ATOM 1179 CG ARG A 122 1.539 -15.307 -4.974 1.00 0.00 C ATOM 1180 CD ARG A 122 2.076 -16.553 -5.660 1.00 0.00 C ATOM 1181 NE ARG A 122 2.307 -17.642 -4.714 1.00 0.00 N ATOM 1182 CZ ARG A 122 2.620 -18.879 -5.081 1.00 0.00 C ATOM 1183 NH1 ARG A 122 2.741 -19.183 -6.366 1.00 0.00 N ATOM 1184 NH2 ARG A 122 2.814 -19.816 -4.161 1.00 0.00 N ATOM 0 H ARG A 122 -0.590 -13.453 -6.786 1.00 0.00 H new ATOM 0 HA ARG A 122 -0.476 -15.680 -6.650 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -0.155 -14.771 -3.782 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -0.071 -16.474 -4.186 1.00 0.00 H new ATOM 0 HG2 ARG A 122 1.645 -14.450 -5.639 1.00 0.00 H new ATOM 0 HG3 ARG A 122 2.133 -15.096 -4.085 1.00 0.00 H new ATOM 0 HD2 ARG A 122 1.370 -16.880 -6.423 1.00 0.00 H new ATOM 0 HD3 ARG A 122 3.008 -16.312 -6.171 1.00 0.00 H new ATOM 0 HE ARG A 122 2.223 -17.441 -3.717 1.00 0.00 H new ATOM 0 HH11 ARG A 122 2.594 -18.466 -7.076 1.00 0.00 H new ATOM 0 HH12 ARG A 122 2.982 -20.134 -6.645 1.00 0.00 H new ATOM 0 HH21 ARG A 122 2.723 -19.586 -3.172 1.00 0.00 H new ATOM 0 HH22 ARG A 122 3.054 -20.766 -4.444 1.00 0.00 H new ATOM 1198 N ASN A 123 -3.281 -15.472 -6.108 1.00 0.00 N ATOM 1199 CA ASN A 123 -4.611 -16.039 -5.912 1.00 0.00 C ATOM 1200 C ASN A 123 -5.109 -15.780 -4.493 1.00 0.00 C ATOM 1201 O ASN A 123 -5.625 -16.682 -3.832 1.00 0.00 O ATOM 1202 CB ASN A 123 -4.593 -17.543 -6.192 1.00 0.00 C ATOM 1203 CG ASN A 123 -3.864 -17.883 -7.477 1.00 0.00 C ATOM 1204 OD1 ASN A 123 -2.740 -18.383 -7.453 1.00 0.00 O ATOM 1205 ND2 ASN A 123 -4.503 -17.611 -8.610 1.00 0.00 N ATOM 0 H ASN A 123 -3.242 -14.712 -6.787 1.00 0.00 H new ATOM 0 HA ASN A 123 -5.292 -15.554 -6.611 1.00 0.00 H new ATOM 0 HB2 ASN A 123 -4.116 -18.059 -5.359 1.00 0.00 H new ATOM 0 HB3 ASN A 123 -5.617 -17.911 -6.250 1.00 0.00 H new ATOM 0 HD21 ASN A 123 -4.062 -17.817 -9.506 1.00 0.00 H new ATOM 0 HD22 ASN A 123 -5.434 -17.196 -8.583 1.00 0.00 H new ATOM 1212 N GLN A 124 -4.950 -14.544 -4.031 1.00 0.00 N ATOM 1213 CA GLN A 124 -5.384 -14.168 -2.691 1.00 0.00 C ATOM 1214 C GLN A 124 -5.587 -12.660 -2.589 1.00 0.00 C ATOM 1215 O GLN A 124 -4.643 -11.874 -2.678 1.00 0.00 O ATOM 1216 CB GLN A 124 -4.359 -14.628 -1.653 1.00 0.00 C ATOM 1217 CG GLN A 124 -4.764 -14.317 -0.220 1.00 0.00 C ATOM 1218 CD GLN A 124 -3.910 -15.048 0.798 1.00 0.00 C ATOM 1219 OE1 GLN A 124 -2.697 -15.175 0.632 1.00 0.00 O ATOM 1220 NE2 GLN A 124 -4.543 -15.533 1.860 1.00 0.00 N ATOM 0 H GLN A 124 -4.524 -13.786 -4.565 1.00 0.00 H new ATOM 0 HA GLN A 124 -6.337 -14.659 -2.493 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -4.209 -15.703 -1.754 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -3.402 -14.151 -1.863 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -4.687 -13.243 -0.049 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -5.809 -14.589 -0.074 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -5.550 -15.404 1.956 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -4.022 -16.034 2.579 1.00 0.00 H new ATOM 1229 N PRO A 125 -6.848 -12.244 -2.397 1.00 0.00 N ATOM 1230 CA PRO A 125 -7.205 -10.827 -2.277 1.00 0.00 C ATOM 1231 C PRO A 125 -6.233 -10.058 -1.388 1.00 0.00 C ATOM 1232 O PRO A 125 -5.606 -10.631 -0.497 1.00 0.00 O ATOM 1233 CB PRO A 125 -8.597 -10.864 -1.643 1.00 0.00 C ATOM 1234 CG PRO A 125 -9.175 -12.167 -2.074 1.00 0.00 C ATOM 1235 CD PRO A 125 -8.022 -13.125 -2.280 1.00 0.00 C ATOM 0 HA PRO A 125 -7.174 -10.316 -3.239 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -8.539 -10.797 -0.557 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -9.209 -10.028 -1.982 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -9.863 -12.550 -1.320 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -9.745 -12.048 -2.995 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -7.922 -13.816 -1.443 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -8.159 -13.729 -3.177 1.00 0.00 H new ATOM 1243 N ILE A 126 -6.116 -8.757 -1.634 1.00 0.00 N ATOM 1244 CA ILE A 126 -5.223 -7.910 -0.854 1.00 0.00 C ATOM 1245 C ILE A 126 -5.952 -6.677 -0.331 1.00 0.00 C ATOM 1246 O ILE A 126 -7.005 -6.301 -0.846 1.00 0.00 O ATOM 1247 CB ILE A 126 -4.006 -7.460 -1.683 1.00 0.00 C ATOM 1248 CG1 ILE A 126 -4.464 -6.811 -2.990 1.00 0.00 C ATOM 1249 CG2 ILE A 126 -3.091 -8.643 -1.965 1.00 0.00 C ATOM 1250 CD1 ILE A 126 -3.369 -6.050 -3.704 1.00 0.00 C ATOM 0 H ILE A 126 -6.629 -8.267 -2.367 1.00 0.00 H new ATOM 0 HA ILE A 126 -4.877 -8.509 -0.012 1.00 0.00 H new ATOM 0 HB ILE A 126 -3.447 -6.721 -1.109 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -4.850 -7.584 -3.654 1.00 0.00 H new ATOM 0 HG13 ILE A 126 -5.289 -6.131 -2.779 1.00 0.00 H new ATOM 0 HG21 ILE A 126 -2.235 -8.309 -2.552 1.00 0.00 H new ATOM 0 HG22 ILE A 126 -2.742 -9.066 -1.023 1.00 0.00 H new ATOM 0 HG23 ILE A 126 -3.639 -9.402 -2.523 1.00 0.00 H new ATOM 0 HD11 ILE A 126 -3.766 -5.617 -4.622 1.00 0.00 H new ATOM 0 HD12 ILE A 126 -2.998 -5.254 -3.058 1.00 0.00 H new ATOM 0 HD13 ILE A 126 -2.552 -6.730 -3.947 1.00 0.00 H new ATOM 1262 N TYR A 127 -5.383 -6.050 0.693 1.00 0.00 N ATOM 1263 CA TYR A 127 -5.979 -4.858 1.286 1.00 0.00 C ATOM 1264 C TYR A 127 -5.172 -3.613 0.935 1.00 0.00 C ATOM 1265 O TYR A 127 -3.943 -3.612 1.021 1.00 0.00 O ATOM 1266 CB TYR A 127 -6.069 -5.011 2.805 1.00 0.00 C ATOM 1267 CG TYR A 127 -7.113 -6.009 3.254 1.00 0.00 C ATOM 1268 CD1 TYR A 127 -7.846 -6.739 2.327 1.00 0.00 C ATOM 1269 CD2 TYR A 127 -7.365 -6.221 4.603 1.00 0.00 C ATOM 1270 CE1 TYR A 127 -8.801 -7.652 2.732 1.00 0.00 C ATOM 1271 CE2 TYR A 127 -8.317 -7.133 5.017 1.00 0.00 C ATOM 1272 CZ TYR A 127 -9.032 -7.845 4.077 1.00 0.00 C ATOM 1273 OH TYR A 127 -9.982 -8.753 4.486 1.00 0.00 O ATOM 0 H TYR A 127 -4.510 -6.347 1.130 1.00 0.00 H new ATOM 0 HA TYR A 127 -6.983 -4.743 0.879 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -5.096 -5.319 3.189 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -6.293 -4.040 3.247 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -7.667 -6.591 1.272 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -6.807 -5.664 5.341 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -9.363 -8.211 1.999 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -8.500 -7.287 6.070 1.00 0.00 H new ATOM 0 HH TYR A 127 -10.019 -8.769 5.465 1.00 0.00 H new ATOM 1283 N ILE A 128 -5.870 -2.554 0.541 1.00 0.00 N ATOM 1284 CA ILE A 128 -5.219 -1.301 0.178 1.00 0.00 C ATOM 1285 C ILE A 128 -5.916 -0.112 0.828 1.00 0.00 C ATOM 1286 O ILE A 128 -7.121 0.077 0.668 1.00 0.00 O ATOM 1287 CB ILE A 128 -5.199 -1.099 -1.348 1.00 0.00 C ATOM 1288 CG1 ILE A 128 -4.507 -2.279 -2.033 1.00 0.00 C ATOM 1289 CG2 ILE A 128 -4.503 0.207 -1.700 1.00 0.00 C ATOM 1290 CD1 ILE A 128 -4.821 -2.391 -3.509 1.00 0.00 C ATOM 0 H ILE A 128 -6.887 -2.538 0.465 1.00 0.00 H new ATOM 0 HA ILE A 128 -4.193 -1.361 0.542 1.00 0.00 H new ATOM 0 HB ILE A 128 -6.227 -1.049 -1.706 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -3.429 -2.181 -1.906 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -4.804 -3.202 -1.536 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -4.497 0.336 -2.782 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -5.035 1.039 -1.239 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -3.477 0.184 -1.332 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -4.296 -3.249 -3.928 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -5.895 -2.521 -3.644 1.00 0.00 H new ATOM 0 HD13 ILE A 128 -4.498 -1.484 -4.020 1.00 0.00 H new ATOM 1302 N GLN A 129 -5.149 0.688 1.562 1.00 0.00 N ATOM 1303 CA GLN A 129 -5.693 1.861 2.236 1.00 0.00 C ATOM 1304 C GLN A 129 -4.602 2.897 2.490 1.00 0.00 C ATOM 1305 O GLN A 129 -3.416 2.570 2.518 1.00 0.00 O ATOM 1306 CB GLN A 129 -6.347 1.457 3.558 1.00 0.00 C ATOM 1307 CG GLN A 129 -6.808 2.640 4.395 1.00 0.00 C ATOM 1308 CD GLN A 129 -7.934 3.414 3.739 1.00 0.00 C ATOM 1309 OE1 GLN A 129 -7.715 4.479 3.159 1.00 0.00 O ATOM 1310 NE2 GLN A 129 -9.148 2.884 3.827 1.00 0.00 N ATOM 0 H GLN A 129 -4.149 0.545 1.705 1.00 0.00 H new ATOM 0 HA GLN A 129 -6.447 2.306 1.587 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -7.203 0.815 3.349 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -5.639 0.866 4.138 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -7.137 2.284 5.371 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -5.965 3.309 4.568 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -9.284 2.000 4.317 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -9.945 3.361 3.405 1.00 0.00 H new ATOM 1319 N TYR A 130 -5.013 4.147 2.675 1.00 0.00 N ATOM 1320 CA TYR A 130 -4.072 5.232 2.924 1.00 0.00 C ATOM 1321 C TYR A 130 -3.404 5.071 4.288 1.00 0.00 C ATOM 1322 O TYR A 130 -3.943 4.421 5.182 1.00 0.00 O ATOM 1323 CB TYR A 130 -4.785 6.583 2.849 1.00 0.00 C ATOM 1324 CG TYR A 130 -5.086 7.029 1.435 1.00 0.00 C ATOM 1325 CD1 TYR A 130 -5.731 6.184 0.541 1.00 0.00 C ATOM 1326 CD2 TYR A 130 -4.727 8.297 0.996 1.00 0.00 C ATOM 1327 CE1 TYR A 130 -6.008 6.589 -0.750 1.00 0.00 C ATOM 1328 CE2 TYR A 130 -5.001 8.711 -0.294 1.00 0.00 C ATOM 1329 CZ TYR A 130 -5.641 7.852 -1.163 1.00 0.00 C ATOM 1330 OH TYR A 130 -5.916 8.259 -2.448 1.00 0.00 O ATOM 0 H TYR A 130 -5.992 4.433 2.657 1.00 0.00 H new ATOM 0 HA TYR A 130 -3.301 5.194 2.154 1.00 0.00 H new ATOM 0 HB2 TYR A 130 -5.718 6.524 3.409 1.00 0.00 H new ATOM 0 HB3 TYR A 130 -4.168 7.338 3.336 1.00 0.00 H new ATOM 0 HD1 TYR A 130 -6.021 5.194 0.861 1.00 0.00 H new ATOM 0 HD2 TYR A 130 -4.225 8.971 1.674 1.00 0.00 H new ATOM 0 HE1 TYR A 130 -6.510 5.919 -1.433 1.00 0.00 H new ATOM 0 HE2 TYR A 130 -4.716 9.701 -0.619 1.00 0.00 H new ATOM 0 HH TYR A 130 -5.726 9.216 -2.536 1.00 0.00 H new ATOM 1340 N SER A 131 -2.227 5.672 4.437 1.00 0.00 N ATOM 1341 CA SER A 131 -1.485 5.594 5.689 1.00 0.00 C ATOM 1342 C SER A 131 -1.441 6.955 6.380 1.00 0.00 C ATOM 1343 O SER A 131 -1.600 7.993 5.741 1.00 0.00 O ATOM 1344 CB SER A 131 -0.061 5.095 5.432 1.00 0.00 C ATOM 1345 OG SER A 131 -0.055 4.035 4.491 1.00 0.00 O ATOM 0 H SER A 131 -1.768 6.217 3.707 1.00 0.00 H new ATOM 0 HA SER A 131 -1.998 4.889 6.343 1.00 0.00 H new ATOM 0 HB2 SER A 131 0.555 5.916 5.064 1.00 0.00 H new ATOM 0 HB3 SER A 131 0.384 4.757 6.368 1.00 0.00 H new ATOM 0 HG SER A 131 0.837 3.630 4.461 1.00 0.00 H new