USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 583 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 84 GLN : amide:sc= -0.0938 X(o=-4.7,f=-4.7) USER MOD Set 1.2: A 123 ASN : amide:sc= -4.62! C(o=-4.7!,f=-9.3!) USER MOD Single : A 82 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0683) USER MOD Single : A 87 ASN : amide:sc= -1.22 K(o=-1.2,f=-1.8) USER MOD Single : A 91 HIS : no HE2:sc= 0.22 K(o=0.22,f=-1.4) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 SER OG : rot 81:sc= 0.0406 USER MOD Single : A 103 GLN : amide:sc= -0.266 K(o=-0.27,f=-3!) USER MOD Single : A 104 TYR OH : rot 165:sc= -0.0237 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot 180:sc= -0.309 USER MOD Single : A 112 GLN : amide:sc= -4.08! C(o=-4.1!,f=-5.5!) USER MOD Single : A 114 ASN : amide:sc= -0.657 X(o=-0.66,f=-0.71) USER MOD Single : A 115 THR OG1 : rot -55:sc= 0.0934 USER MOD Single : A 117 SER OG : rot 180:sc= -0.33 USER MOD Single : A 119 THR OG1 : rot -140:sc= 0 USER MOD Single : A 125 THR OG1 : rot 153:sc= -1.28 USER MOD Single : A 126 TYR OH : rot -18:sc= 1.24 USER MOD Single : A 127 SER OG : rot 70:sc= 0.656 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 GLN : amide:sc= -4.22! C(o=-4.2!,f=-7.9!) USER MOD Single : A 134 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 ASN : amide:sc= -0.977 K(o=-0.98,f=-3!) USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 146 ASN : amide:sc= -0.119 X(o=-0.12,f=-0.34) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0.0023 USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 TYR OH : rot 30:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 237 N LYS A 82 9.665 -0.750 -3.650 1.00 0.00 N ATOM 238 CA LYS A 82 8.896 -0.737 -2.411 1.00 0.00 C ATOM 239 C LYS A 82 7.553 -0.043 -2.612 1.00 0.00 C ATOM 240 O LYS A 82 7.310 0.573 -3.651 1.00 0.00 O ATOM 241 CB LYS A 82 9.685 -0.034 -1.304 1.00 0.00 C ATOM 242 CG LYS A 82 9.325 -0.507 0.094 1.00 0.00 C ATOM 243 CD LYS A 82 10.502 -0.379 1.046 1.00 0.00 C ATOM 244 CE LYS A 82 10.598 1.024 1.628 1.00 0.00 C ATOM 245 NZ LYS A 82 11.398 1.930 0.758 1.00 0.00 N ATOM 0 HA LYS A 82 8.711 -1.770 -2.117 1.00 0.00 H new ATOM 0 HB2 LYS A 82 10.750 -0.195 -1.470 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.511 1.040 -1.371 1.00 0.00 H new ATOM 0 HG2 LYS A 82 8.485 0.077 0.472 1.00 0.00 H new ATOM 0 HG3 LYS A 82 8.999 -1.546 0.055 1.00 0.00 H new ATOM 0 HD2 LYS A 82 10.398 -1.103 1.854 1.00 0.00 H new ATOM 0 HD3 LYS A 82 11.425 -0.620 0.519 1.00 0.00 H new ATOM 0 HE2 LYS A 82 9.596 1.434 1.756 1.00 0.00 H new ATOM 0 HE3 LYS A 82 11.052 0.977 2.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 11.627 2.800 1.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 12.278 1.453 0.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 10.848 2.171 -0.091 1.00 0.00 H new ATOM 259 N LEU A 83 6.685 -0.144 -1.612 1.00 0.00 N ATOM 260 CA LEU A 83 5.366 0.476 -1.678 1.00 0.00 C ATOM 261 C LEU A 83 5.108 1.340 -0.448 1.00 0.00 C ATOM 262 O LEU A 83 5.485 0.978 0.666 1.00 0.00 O ATOM 263 CB LEU A 83 4.282 -0.596 -1.798 1.00 0.00 C ATOM 264 CG LEU A 83 4.146 -1.263 -3.168 1.00 0.00 C ATOM 265 CD1 LEU A 83 3.277 -2.507 -3.072 1.00 0.00 C ATOM 266 CD2 LEU A 83 3.571 -0.285 -4.182 1.00 0.00 C ATOM 0 H LEU A 83 6.870 -0.649 -0.746 1.00 0.00 H new ATOM 0 HA LEU A 83 5.336 1.115 -2.561 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.481 -1.370 -1.057 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.324 -0.146 -1.539 1.00 0.00 H new ATOM 0 HG LEU A 83 5.138 -1.563 -3.505 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.192 -2.968 -4.056 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.730 -3.215 -2.378 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.285 -2.231 -2.713 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.481 -0.776 -5.151 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.587 0.046 -3.850 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.233 0.577 -4.272 1.00 0.00 H new ATOM 278 N GLN A 84 4.462 2.483 -0.658 1.00 0.00 N ATOM 279 CA GLN A 84 4.153 3.397 0.434 1.00 0.00 C ATOM 280 C GLN A 84 2.648 3.615 0.552 1.00 0.00 C ATOM 281 O GLN A 84 1.974 3.910 -0.435 1.00 0.00 O ATOM 282 CB GLN A 84 4.859 4.737 0.221 1.00 0.00 C ATOM 283 CG GLN A 84 4.277 5.870 1.051 1.00 0.00 C ATOM 284 CD GLN A 84 5.207 7.064 1.143 1.00 0.00 C ATOM 285 OE1 GLN A 84 4.852 8.174 0.746 1.00 0.00 O ATOM 286 NE2 GLN A 84 6.406 6.841 1.668 1.00 0.00 N ATOM 0 H GLN A 84 4.143 2.797 -1.574 1.00 0.00 H new ATOM 0 HA GLN A 84 4.511 2.949 1.361 1.00 0.00 H new ATOM 0 HB2 GLN A 84 5.915 4.624 0.465 1.00 0.00 H new ATOM 0 HB3 GLN A 84 4.802 5.004 -0.834 1.00 0.00 H new ATOM 0 HG2 GLN A 84 3.329 6.185 0.614 1.00 0.00 H new ATOM 0 HG3 GLN A 84 4.060 5.505 2.055 1.00 0.00 H new ATOM 0 HE21 GLN A 84 6.658 5.905 1.984 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.075 7.606 1.755 1.00 0.00 H new ATOM 295 N ILE A 85 2.127 3.467 1.766 1.00 0.00 N ATOM 296 CA ILE A 85 0.702 3.648 2.013 1.00 0.00 C ATOM 297 C ILE A 85 0.444 4.891 2.858 1.00 0.00 C ATOM 298 O ILE A 85 1.126 5.127 3.856 1.00 0.00 O ATOM 299 CB ILE A 85 0.093 2.424 2.720 1.00 0.00 C ATOM 300 CG1 ILE A 85 0.330 1.159 1.892 1.00 0.00 C ATOM 301 CG2 ILE A 85 -1.394 2.636 2.959 1.00 0.00 C ATOM 302 CD1 ILE A 85 0.057 -0.120 2.652 1.00 0.00 C ATOM 0 H ILE A 85 2.671 3.222 2.594 1.00 0.00 H new ATOM 0 HA ILE A 85 0.226 3.768 1.040 1.00 0.00 H new ATOM 0 HB ILE A 85 0.582 2.300 3.686 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.306 1.189 1.007 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.362 1.151 1.543 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.810 1.762 3.460 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.540 3.516 3.585 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.899 2.782 2.004 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.246 -0.976 2.004 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.711 -0.173 3.522 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -0.983 -0.134 2.978 1.00 0.00 H new ATOM 314 N ARG A 86 -0.545 5.680 2.454 1.00 0.00 N ATOM 315 CA ARG A 86 -0.894 6.898 3.175 1.00 0.00 C ATOM 316 C ARG A 86 -2.401 6.982 3.404 1.00 0.00 C ATOM 317 O ARG A 86 -3.148 6.083 3.020 1.00 0.00 O ATOM 318 CB ARG A 86 -0.416 8.129 2.403 1.00 0.00 C ATOM 319 CG ARG A 86 1.097 8.279 2.374 1.00 0.00 C ATOM 320 CD ARG A 86 1.519 9.514 1.593 1.00 0.00 C ATOM 321 NE ARG A 86 1.135 10.749 2.272 1.00 0.00 N ATOM 322 CZ ARG A 86 -0.060 11.315 2.148 1.00 0.00 C ATOM 323 NH1 ARG A 86 -0.984 10.759 1.377 1.00 0.00 N ATOM 324 NH2 ARG A 86 -0.334 12.438 2.798 1.00 0.00 N ATOM 0 H ARG A 86 -1.119 5.498 1.631 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.397 6.870 4.145 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.787 8.073 1.380 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.853 9.021 2.852 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.477 8.344 3.394 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.543 7.392 1.924 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.599 9.500 1.449 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.065 9.489 0.602 1.00 0.00 H new ATOM 0 HE ARG A 86 1.822 11.202 2.874 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.778 9.894 0.877 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.901 11.196 1.284 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.373 12.868 3.394 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.252 12.872 2.702 1.00 0.00 H new ATOM 338 N ASN A 87 -2.839 8.068 4.033 1.00 0.00 N ATOM 339 CA ASN A 87 -4.256 8.269 4.314 1.00 0.00 C ATOM 340 C ASN A 87 -4.781 7.193 5.259 1.00 0.00 C ATOM 341 O ASN A 87 -5.965 6.855 5.235 1.00 0.00 O ATOM 342 CB ASN A 87 -5.062 8.258 3.013 1.00 0.00 C ATOM 343 CG ASN A 87 -5.235 9.646 2.429 1.00 0.00 C ATOM 344 OD1 ASN A 87 -4.286 10.427 2.362 1.00 0.00 O ATOM 345 ND2 ASN A 87 -6.453 9.961 2.002 1.00 0.00 N ATOM 0 H ASN A 87 -2.233 8.822 4.358 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.371 9.239 4.797 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -4.562 7.620 2.284 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -6.043 7.821 3.200 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -6.630 10.881 1.599 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -7.211 9.283 2.077 1.00 0.00 H new ATOM 352 N ILE A 88 -3.892 6.659 6.091 1.00 0.00 N ATOM 353 CA ILE A 88 -4.267 5.623 7.046 1.00 0.00 C ATOM 354 C ILE A 88 -4.890 6.229 8.298 1.00 0.00 C ATOM 355 O ILE A 88 -4.366 7.175 8.888 1.00 0.00 O ATOM 356 CB ILE A 88 -3.052 4.768 7.453 1.00 0.00 C ATOM 357 CG1 ILE A 88 -2.432 4.106 6.221 1.00 0.00 C ATOM 358 CG2 ILE A 88 -3.463 3.718 8.475 1.00 0.00 C ATOM 359 CD1 ILE A 88 -1.065 3.510 6.479 1.00 0.00 C ATOM 0 H ILE A 88 -2.908 6.926 6.123 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.000 4.987 6.550 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.304 5.417 7.908 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.100 3.322 5.865 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.353 4.844 5.423 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.594 3.121 8.753 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.864 4.210 9.361 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.226 3.069 8.044 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.686 3.058 5.562 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.382 4.294 6.806 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.141 2.748 7.255 1.00 0.00 H new ATOM 371 N PRO A 89 -6.036 5.673 8.717 1.00 0.00 N ATOM 372 CA PRO A 89 -6.755 6.141 9.906 1.00 0.00 C ATOM 373 C PRO A 89 -6.012 5.818 11.198 1.00 0.00 C ATOM 374 O PRO A 89 -5.677 4.667 11.479 1.00 0.00 O ATOM 375 CB PRO A 89 -8.079 5.374 9.845 1.00 0.00 C ATOM 376 CG PRO A 89 -7.768 4.144 9.063 1.00 0.00 C ATOM 377 CD PRO A 89 -6.718 4.543 8.064 1.00 0.00 C ATOM 0 HA PRO A 89 -6.874 7.225 9.910 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -8.440 5.128 10.843 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -8.857 5.965 9.361 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -7.405 3.349 9.714 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -8.659 3.764 8.562 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -6.029 3.724 7.856 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.160 4.837 7.112 1.00 0.00 H new ATOM 385 N PRO A 90 -5.747 6.857 12.004 1.00 0.00 N ATOM 386 CA PRO A 90 -5.041 6.708 13.280 1.00 0.00 C ATOM 387 C PRO A 90 -5.881 5.984 14.327 1.00 0.00 C ATOM 388 O PRO A 90 -5.449 5.800 15.465 1.00 0.00 O ATOM 389 CB PRO A 90 -4.779 8.153 13.712 1.00 0.00 C ATOM 390 CG PRO A 90 -5.846 8.948 13.040 1.00 0.00 C ATOM 391 CD PRO A 90 -6.116 8.256 11.733 1.00 0.00 C ATOM 0 HA PRO A 90 -4.137 6.108 13.177 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -4.830 8.258 14.796 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -3.787 8.484 13.406 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -6.746 8.990 13.653 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.523 9.976 12.878 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -7.162 8.346 11.440 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -5.520 8.679 10.924 1.00 0.00 H new ATOM 399 N HIS A 91 -7.083 5.574 13.934 1.00 0.00 N ATOM 400 CA HIS A 91 -7.984 4.868 14.838 1.00 0.00 C ATOM 401 C HIS A 91 -7.760 3.361 14.761 1.00 0.00 C ATOM 402 O HIS A 91 -7.715 2.676 15.784 1.00 0.00 O ATOM 403 CB HIS A 91 -9.438 5.197 14.503 1.00 0.00 C ATOM 404 CG HIS A 91 -9.660 6.636 14.149 1.00 0.00 C ATOM 405 ND1 HIS A 91 -10.550 7.043 13.177 1.00 0.00 N ATOM 406 CD2 HIS A 91 -9.104 7.766 14.644 1.00 0.00 C ATOM 407 CE1 HIS A 91 -10.529 8.361 13.089 1.00 0.00 C ATOM 408 NE2 HIS A 91 -9.660 8.824 13.969 1.00 0.00 N ATOM 0 H HIS A 91 -7.455 5.719 12.996 1.00 0.00 H new ATOM 0 HA HIS A 91 -7.770 5.198 15.855 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -9.761 4.572 13.670 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -10.066 4.940 15.356 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -11.133 6.423 12.614 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -8.361 7.825 15.425 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -11.122 8.958 12.412 1.00 0.00 H new ATOM 416 N LEU A 92 -7.622 2.850 13.542 1.00 0.00 N ATOM 417 CA LEU A 92 -7.403 1.423 13.331 1.00 0.00 C ATOM 418 C LEU A 92 -6.154 0.948 14.066 1.00 0.00 C ATOM 419 O LEU A 92 -5.218 1.718 14.278 1.00 0.00 O ATOM 420 CB LEU A 92 -7.275 1.123 11.837 1.00 0.00 C ATOM 421 CG LEU A 92 -6.412 -0.084 11.466 1.00 0.00 C ATOM 422 CD1 LEU A 92 -6.867 -0.680 10.143 1.00 0.00 C ATOM 423 CD2 LEU A 92 -4.944 0.310 11.399 1.00 0.00 C ATOM 0 H LEU A 92 -7.658 3.402 12.685 1.00 0.00 H new ATOM 0 HA LEU A 92 -8.263 0.886 13.731 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -8.275 0.968 11.431 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -6.864 2.004 11.344 1.00 0.00 H new ATOM 0 HG LEU A 92 -6.529 -0.841 12.241 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -6.241 -1.538 9.896 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -7.905 -1.001 10.226 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -6.781 0.070 9.357 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -4.345 -0.561 11.134 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.810 1.086 10.645 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.624 0.688 12.370 1.00 0.00 H new ATOM 435 N GLN A 93 -6.147 -0.324 14.450 1.00 0.00 N ATOM 436 CA GLN A 93 -5.012 -0.901 15.160 1.00 0.00 C ATOM 437 C GLN A 93 -3.975 -1.441 14.180 1.00 0.00 C ATOM 438 O GLN A 93 -4.304 -1.808 13.053 1.00 0.00 O ATOM 439 CB GLN A 93 -5.481 -2.020 16.091 1.00 0.00 C ATOM 440 CG GLN A 93 -6.202 -1.517 17.332 1.00 0.00 C ATOM 441 CD GLN A 93 -7.086 -2.574 17.962 1.00 0.00 C ATOM 442 OE1 GLN A 93 -6.597 -3.527 18.570 1.00 0.00 O ATOM 443 NE2 GLN A 93 -8.396 -2.412 17.822 1.00 0.00 N ATOM 0 H GLN A 93 -6.914 -0.975 14.281 1.00 0.00 H new ATOM 0 HA GLN A 93 -4.549 -0.113 15.754 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -6.145 -2.686 15.540 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -4.619 -2.612 16.397 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -5.467 -1.181 18.063 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -6.809 -0.651 17.069 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -8.759 -1.608 17.310 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -9.040 -3.092 18.226 1.00 0.00 H new ATOM 452 N TRP A 94 -2.722 -1.485 14.619 1.00 0.00 N ATOM 453 CA TRP A 94 -1.636 -1.979 13.780 1.00 0.00 C ATOM 454 C TRP A 94 -1.845 -3.448 13.428 1.00 0.00 C ATOM 455 O TRP A 94 -1.687 -3.847 12.275 1.00 0.00 O ATOM 456 CB TRP A 94 -0.293 -1.798 14.489 1.00 0.00 C ATOM 457 CG TRP A 94 0.884 -1.890 13.566 1.00 0.00 C ATOM 458 CD1 TRP A 94 1.511 -3.029 13.149 1.00 0.00 C ATOM 459 CD2 TRP A 94 1.575 -0.799 12.947 1.00 0.00 C ATOM 460 NE1 TRP A 94 2.551 -2.712 12.308 1.00 0.00 N ATOM 461 CE2 TRP A 94 2.610 -1.351 12.167 1.00 0.00 C ATOM 462 CE3 TRP A 94 1.418 0.589 12.973 1.00 0.00 C ATOM 463 CZ2 TRP A 94 3.483 -0.561 11.424 1.00 0.00 C ATOM 464 CZ3 TRP A 94 2.286 1.371 12.235 1.00 0.00 C ATOM 465 CH2 TRP A 94 3.307 0.795 11.468 1.00 0.00 C ATOM 0 H TRP A 94 -2.433 -1.185 15.550 1.00 0.00 H new ATOM 0 HA TRP A 94 -1.632 -1.400 12.856 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -0.281 -0.828 14.986 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -0.196 -2.556 15.266 1.00 0.00 H new ATOM 0 HD1 TRP A 94 1.231 -4.031 13.437 1.00 0.00 H new ATOM 0 HE1 TRP A 94 3.177 -3.382 11.861 1.00 0.00 H new ATOM 0 HE3 TRP A 94 0.633 1.043 13.559 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 4.272 -1.003 10.833 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 2.175 2.445 12.250 1.00 0.00 H new ATOM 0 HH2 TRP A 94 3.968 1.434 10.901 1.00 0.00 H new ATOM 476 N GLU A 95 -2.201 -4.247 14.429 1.00 0.00 N ATOM 477 CA GLU A 95 -2.431 -5.672 14.224 1.00 0.00 C ATOM 478 C GLU A 95 -3.341 -5.909 13.022 1.00 0.00 C ATOM 479 O GLU A 95 -3.114 -6.820 12.226 1.00 0.00 O ATOM 480 CB GLU A 95 -3.048 -6.298 15.476 1.00 0.00 C ATOM 481 CG GLU A 95 -4.534 -6.016 15.628 1.00 0.00 C ATOM 482 CD GLU A 95 -5.026 -6.233 17.046 1.00 0.00 C ATOM 483 OE1 GLU A 95 -4.182 -6.314 17.962 1.00 0.00 O ATOM 484 OE2 GLU A 95 -6.257 -6.321 17.238 1.00 0.00 O ATOM 0 H GLU A 95 -2.336 -3.932 15.390 1.00 0.00 H new ATOM 0 HA GLU A 95 -1.468 -6.144 14.028 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -2.892 -7.376 15.447 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -2.524 -5.924 16.355 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -4.737 -4.987 15.330 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.094 -6.661 14.950 1.00 0.00 H new ATOM 491 N VAL A 96 -4.374 -5.081 12.897 1.00 0.00 N ATOM 492 CA VAL A 96 -5.319 -5.199 11.793 1.00 0.00 C ATOM 493 C VAL A 96 -4.639 -4.926 10.456 1.00 0.00 C ATOM 494 O VAL A 96 -4.819 -5.672 9.493 1.00 0.00 O ATOM 495 CB VAL A 96 -6.503 -4.227 11.962 1.00 0.00 C ATOM 496 CG1 VAL A 96 -7.474 -4.362 10.799 1.00 0.00 C ATOM 497 CG2 VAL A 96 -7.208 -4.473 13.287 1.00 0.00 C ATOM 0 H VAL A 96 -4.577 -4.321 13.547 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.694 -6.223 11.805 1.00 0.00 H new ATOM 0 HB VAL A 96 -6.117 -3.208 11.966 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -8.304 -3.668 10.935 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -6.959 -4.133 9.866 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -7.857 -5.382 10.761 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -8.041 -3.778 13.390 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.583 -5.496 13.315 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -6.506 -4.321 14.107 1.00 0.00 H new ATOM 507 N LEU A 97 -3.857 -3.854 10.405 1.00 0.00 N ATOM 508 CA LEU A 97 -3.148 -3.482 9.185 1.00 0.00 C ATOM 509 C LEU A 97 -2.261 -4.625 8.701 1.00 0.00 C ATOM 510 O LEU A 97 -2.456 -5.156 7.608 1.00 0.00 O ATOM 511 CB LEU A 97 -2.302 -2.230 9.425 1.00 0.00 C ATOM 512 CG LEU A 97 -1.654 -1.611 8.186 1.00 0.00 C ATOM 513 CD1 LEU A 97 -2.710 -0.987 7.287 1.00 0.00 C ATOM 514 CD2 LEU A 97 -0.615 -0.575 8.589 1.00 0.00 C ATOM 0 H LEU A 97 -3.697 -3.227 11.193 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.888 -3.270 8.414 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.931 -1.475 9.897 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.515 -2.479 10.137 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.152 -2.402 7.628 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.230 -0.551 6.410 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.417 -1.753 6.970 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.240 -0.208 7.835 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.164 -0.145 7.695 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.094 0.214 9.169 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.158 -1.051 9.192 1.00 0.00 H new ATOM 526 N ASP A 98 -1.287 -4.999 9.523 1.00 0.00 N ATOM 527 CA ASP A 98 -0.371 -6.081 9.181 1.00 0.00 C ATOM 528 C ASP A 98 -1.088 -7.170 8.389 1.00 0.00 C ATOM 529 O ASP A 98 -0.721 -7.470 7.253 1.00 0.00 O ATOM 530 CB ASP A 98 0.245 -6.676 10.448 1.00 0.00 C ATOM 531 CG ASP A 98 1.589 -7.328 10.187 1.00 0.00 C ATOM 532 OD1 ASP A 98 2.495 -6.634 9.679 1.00 0.00 O ATOM 533 OD2 ASP A 98 1.735 -8.530 10.490 1.00 0.00 O ATOM 0 H ASP A 98 -1.111 -4.569 10.431 1.00 0.00 H new ATOM 0 HA ASP A 98 0.424 -5.668 8.559 1.00 0.00 H new ATOM 0 HB2 ASP A 98 0.364 -5.890 11.194 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -0.438 -7.414 10.869 1.00 0.00 H new ATOM 538 N SER A 99 -2.113 -7.760 8.998 1.00 0.00 N ATOM 539 CA SER A 99 -2.879 -8.819 8.352 1.00 0.00 C ATOM 540 C SER A 99 -3.350 -8.382 6.968 1.00 0.00 C ATOM 541 O SER A 99 -3.084 -9.051 5.969 1.00 0.00 O ATOM 542 CB SER A 99 -4.081 -9.207 9.215 1.00 0.00 C ATOM 543 OG SER A 99 -3.677 -9.554 10.527 1.00 0.00 O ATOM 0 H SER A 99 -2.431 -7.522 9.937 1.00 0.00 H new ATOM 0 HA SER A 99 -2.229 -9.686 8.237 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.786 -8.377 9.256 1.00 0.00 H new ATOM 0 HB3 SER A 99 -4.604 -10.047 8.758 1.00 0.00 H new ATOM 0 HG SER A 99 -3.535 -8.739 11.052 1.00 0.00 H new ATOM 549 N LEU A 100 -4.052 -7.256 6.918 1.00 0.00 N ATOM 550 CA LEU A 100 -4.562 -6.727 5.658 1.00 0.00 C ATOM 551 C LEU A 100 -3.502 -6.808 4.564 1.00 0.00 C ATOM 552 O LEU A 100 -3.782 -7.233 3.443 1.00 0.00 O ATOM 553 CB LEU A 100 -5.017 -5.278 5.836 1.00 0.00 C ATOM 554 CG LEU A 100 -6.384 -5.079 6.493 1.00 0.00 C ATOM 555 CD1 LEU A 100 -6.558 -3.635 6.936 1.00 0.00 C ATOM 556 CD2 LEU A 100 -7.498 -5.485 5.540 1.00 0.00 C ATOM 0 H LEU A 100 -4.281 -6.691 7.736 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.416 -7.335 5.357 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -4.270 -4.754 6.433 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.034 -4.801 4.856 1.00 0.00 H new ATOM 0 HG LEU A 100 -6.438 -5.717 7.375 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.536 -3.512 7.401 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -5.780 -3.379 7.655 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.483 -2.977 6.070 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.463 -5.337 6.024 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.447 -4.874 4.639 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.384 -6.536 5.273 1.00 0.00 H new ATOM 568 N LEU A 101 -2.283 -6.401 4.899 1.00 0.00 N ATOM 569 CA LEU A 101 -1.178 -6.429 3.946 1.00 0.00 C ATOM 570 C LEU A 101 -0.869 -7.859 3.513 1.00 0.00 C ATOM 571 O LEU A 101 -0.580 -8.115 2.344 1.00 0.00 O ATOM 572 CB LEU A 101 0.068 -5.790 4.561 1.00 0.00 C ATOM 573 CG LEU A 101 -0.161 -4.511 5.368 1.00 0.00 C ATOM 574 CD1 LEU A 101 1.148 -4.010 5.957 1.00 0.00 C ATOM 575 CD2 LEU A 101 -0.802 -3.440 4.497 1.00 0.00 C ATOM 0 H LEU A 101 -2.034 -6.048 5.823 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.475 -5.858 3.066 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.546 -6.524 5.210 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.772 -5.568 3.759 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.841 -4.738 6.189 1.00 0.00 H new ATOM 0 HD11 LEU A 101 0.965 -3.099 6.528 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.567 -4.772 6.614 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.852 -3.799 5.152 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -0.958 -2.537 5.087 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.147 -3.215 3.655 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -1.761 -3.800 4.124 1.00 0.00 H new ATOM 587 N VAL A 102 -0.936 -8.787 4.462 1.00 0.00 N ATOM 588 CA VAL A 102 -0.667 -10.191 4.178 1.00 0.00 C ATOM 589 C VAL A 102 -1.731 -10.780 3.259 1.00 0.00 C ATOM 590 O VAL A 102 -1.416 -11.475 2.294 1.00 0.00 O ATOM 591 CB VAL A 102 -0.605 -11.024 5.473 1.00 0.00 C ATOM 592 CG1 VAL A 102 -0.221 -12.463 5.165 1.00 0.00 C ATOM 593 CG2 VAL A 102 0.373 -10.402 6.459 1.00 0.00 C ATOM 0 H VAL A 102 -1.174 -8.592 5.434 1.00 0.00 H new ATOM 0 HA VAL A 102 0.302 -10.233 3.681 1.00 0.00 H new ATOM 0 HB VAL A 102 -1.595 -11.028 5.930 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.182 -13.036 6.092 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -0.962 -12.902 4.498 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.757 -12.484 4.685 1.00 0.00 H new ATOM 0 HG21 VAL A 102 0.405 -11.003 7.368 1.00 0.00 H new ATOM 0 HG22 VAL A 102 1.367 -10.367 6.013 1.00 0.00 H new ATOM 0 HG23 VAL A 102 0.049 -9.390 6.704 1.00 0.00 H new ATOM 603 N GLN A 103 -2.993 -10.496 3.566 1.00 0.00 N ATOM 604 CA GLN A 103 -4.104 -10.998 2.767 1.00 0.00 C ATOM 605 C GLN A 103 -3.825 -10.827 1.278 1.00 0.00 C ATOM 606 O GLN A 103 -3.979 -11.765 0.496 1.00 0.00 O ATOM 607 CB GLN A 103 -5.398 -10.272 3.142 1.00 0.00 C ATOM 608 CG GLN A 103 -6.034 -10.786 4.423 1.00 0.00 C ATOM 609 CD GLN A 103 -6.721 -12.124 4.238 1.00 0.00 C ATOM 610 OE1 GLN A 103 -6.477 -12.830 3.259 1.00 0.00 O ATOM 611 NE2 GLN A 103 -7.586 -12.482 5.180 1.00 0.00 N ATOM 0 H GLN A 103 -3.271 -9.921 4.362 1.00 0.00 H new ATOM 0 HA GLN A 103 -4.218 -12.062 2.977 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -5.189 -9.208 3.251 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -6.112 -10.374 2.325 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -5.268 -10.879 5.193 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -6.760 -10.056 4.782 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -7.758 -11.866 5.975 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -8.078 -13.373 5.109 1.00 0.00 H new ATOM 620 N TYR A 104 -3.414 -9.624 0.892 1.00 0.00 N ATOM 621 CA TYR A 104 -3.115 -9.330 -0.504 1.00 0.00 C ATOM 622 C TYR A 104 -2.033 -10.263 -1.039 1.00 0.00 C ATOM 623 O TYR A 104 -2.233 -10.960 -2.032 1.00 0.00 O ATOM 624 CB TYR A 104 -2.670 -7.874 -0.657 1.00 0.00 C ATOM 625 CG TYR A 104 -3.732 -6.872 -0.262 1.00 0.00 C ATOM 626 CD1 TYR A 104 -4.805 -6.600 -1.102 1.00 0.00 C ATOM 627 CD2 TYR A 104 -3.662 -6.199 0.951 1.00 0.00 C ATOM 628 CE1 TYR A 104 -5.776 -5.685 -0.746 1.00 0.00 C ATOM 629 CE2 TYR A 104 -4.630 -5.283 1.316 1.00 0.00 C ATOM 630 CZ TYR A 104 -5.684 -5.029 0.464 1.00 0.00 C ATOM 631 OH TYR A 104 -6.651 -4.117 0.823 1.00 0.00 O ATOM 0 H TYR A 104 -3.280 -8.837 1.527 1.00 0.00 H new ATOM 0 HA TYR A 104 -4.024 -9.488 -1.084 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -1.781 -7.708 -0.048 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -2.383 -7.697 -1.694 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -4.881 -7.113 -2.049 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -2.837 -6.395 1.620 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -6.603 -5.484 -1.411 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -4.561 -4.769 2.263 1.00 0.00 H new ATOM 0 HH TYR A 104 -6.580 -3.925 1.781 1.00 0.00 H new ATOM 641 N GLY A 105 -0.883 -10.270 -0.370 1.00 0.00 N ATOM 642 CA GLY A 105 0.215 -11.120 -0.790 1.00 0.00 C ATOM 643 C GLY A 105 1.182 -11.418 0.338 1.00 0.00 C ATOM 644 O GLY A 105 0.843 -11.271 1.512 1.00 0.00 O ATOM 0 H GLY A 105 -0.693 -9.702 0.455 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -0.183 -12.057 -1.180 1.00 0.00 H new ATOM 0 HA3 GLY A 105 0.752 -10.638 -1.607 1.00 0.00 H new ATOM 648 N VAL A 106 2.392 -11.839 -0.018 1.00 0.00 N ATOM 649 CA VAL A 106 3.412 -12.158 0.973 1.00 0.00 C ATOM 650 C VAL A 106 4.254 -10.933 1.310 1.00 0.00 C ATOM 651 O VAL A 106 5.237 -10.635 0.632 1.00 0.00 O ATOM 652 CB VAL A 106 4.340 -13.285 0.480 1.00 0.00 C ATOM 653 CG1 VAL A 106 5.416 -13.581 1.514 1.00 0.00 C ATOM 654 CG2 VAL A 106 3.536 -14.536 0.163 1.00 0.00 C ATOM 0 H VAL A 106 2.689 -11.967 -0.985 1.00 0.00 H new ATOM 0 HA VAL A 106 2.889 -12.493 1.869 1.00 0.00 H new ATOM 0 HB VAL A 106 4.830 -12.954 -0.435 1.00 0.00 H new ATOM 0 HG11 VAL A 106 6.062 -14.379 1.149 1.00 0.00 H new ATOM 0 HG12 VAL A 106 6.011 -12.684 1.687 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.948 -13.892 2.448 1.00 0.00 H new ATOM 0 HG21 VAL A 106 4.207 -15.322 -0.184 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.017 -14.872 1.061 1.00 0.00 H new ATOM 0 HG23 VAL A 106 2.807 -14.312 -0.615 1.00 0.00 H new ATOM 664 N VAL A 107 3.862 -10.224 2.364 1.00 0.00 N ATOM 665 CA VAL A 107 4.581 -9.030 2.794 1.00 0.00 C ATOM 666 C VAL A 107 5.922 -9.393 3.423 1.00 0.00 C ATOM 667 O VAL A 107 5.977 -9.874 4.554 1.00 0.00 O ATOM 668 CB VAL A 107 3.757 -8.212 3.805 1.00 0.00 C ATOM 669 CG1 VAL A 107 3.332 -9.083 4.978 1.00 0.00 C ATOM 670 CG2 VAL A 107 4.549 -7.006 4.286 1.00 0.00 C ATOM 0 H VAL A 107 3.050 -10.456 2.936 1.00 0.00 H new ATOM 0 HA VAL A 107 4.752 -8.426 1.903 1.00 0.00 H new ATOM 0 HB VAL A 107 2.857 -7.852 3.306 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.751 -8.487 5.682 1.00 0.00 H new ATOM 0 HG12 VAL A 107 2.724 -9.911 4.615 1.00 0.00 H new ATOM 0 HG13 VAL A 107 4.217 -9.475 5.479 1.00 0.00 H new ATOM 0 HG21 VAL A 107 3.951 -6.439 5.000 1.00 0.00 H new ATOM 0 HG22 VAL A 107 5.467 -7.342 4.768 1.00 0.00 H new ATOM 0 HG23 VAL A 107 4.797 -6.371 3.436 1.00 0.00 H new ATOM 680 N GLU A 108 7.000 -9.159 2.681 1.00 0.00 N ATOM 681 CA GLU A 108 8.341 -9.461 3.167 1.00 0.00 C ATOM 682 C GLU A 108 8.626 -8.723 4.472 1.00 0.00 C ATOM 683 O GLU A 108 9.031 -9.329 5.464 1.00 0.00 O ATOM 684 CB GLU A 108 9.386 -9.083 2.115 1.00 0.00 C ATOM 685 CG GLU A 108 10.629 -9.955 2.151 1.00 0.00 C ATOM 686 CD GLU A 108 11.279 -10.101 0.789 1.00 0.00 C ATOM 687 OE1 GLU A 108 11.372 -9.088 0.065 1.00 0.00 O ATOM 688 OE2 GLU A 108 11.695 -11.228 0.447 1.00 0.00 O ATOM 0 H GLU A 108 6.971 -8.762 1.742 1.00 0.00 H new ATOM 0 HA GLU A 108 8.398 -10.533 3.356 1.00 0.00 H new ATOM 0 HB2 GLU A 108 8.934 -9.150 1.125 1.00 0.00 H new ATOM 0 HB3 GLU A 108 9.678 -8.043 2.262 1.00 0.00 H new ATOM 0 HG2 GLU A 108 11.349 -9.527 2.849 1.00 0.00 H new ATOM 0 HG3 GLU A 108 10.365 -10.942 2.531 1.00 0.00 H new ATOM 695 N SER A 109 8.413 -7.411 4.462 1.00 0.00 N ATOM 696 CA SER A 109 8.652 -6.589 5.642 1.00 0.00 C ATOM 697 C SER A 109 7.756 -5.354 5.633 1.00 0.00 C ATOM 698 O SER A 109 7.383 -4.852 4.572 1.00 0.00 O ATOM 699 CB SER A 109 10.121 -6.168 5.708 1.00 0.00 C ATOM 700 OG SER A 109 10.408 -5.508 6.929 1.00 0.00 O ATOM 0 H SER A 109 8.075 -6.895 3.650 1.00 0.00 H new ATOM 0 HA SER A 109 8.413 -7.184 6.524 1.00 0.00 H new ATOM 0 HB2 SER A 109 10.759 -7.046 5.607 1.00 0.00 H new ATOM 0 HB3 SER A 109 10.351 -5.508 4.871 1.00 0.00 H new ATOM 0 HG SER A 109 11.353 -5.251 6.947 1.00 0.00 H new ATOM 706 N CYS A 110 7.416 -4.869 6.822 1.00 0.00 N ATOM 707 CA CYS A 110 6.564 -3.693 6.953 1.00 0.00 C ATOM 708 C CYS A 110 7.267 -2.598 7.749 1.00 0.00 C ATOM 709 O CYS A 110 7.242 -2.598 8.979 1.00 0.00 O ATOM 710 CB CYS A 110 5.245 -4.066 7.632 1.00 0.00 C ATOM 711 SG CYS A 110 4.175 -2.654 7.993 1.00 0.00 S ATOM 0 H CYS A 110 7.717 -5.272 7.709 1.00 0.00 H new ATOM 0 HA CYS A 110 6.355 -3.313 5.953 1.00 0.00 H new ATOM 0 HB2 CYS A 110 4.704 -4.764 6.993 1.00 0.00 H new ATOM 0 HB3 CYS A 110 5.463 -4.590 8.563 1.00 0.00 H new ATOM 0 HG CYS A 110 3.084 -3.071 8.564 1.00 0.00 H new ATOM 717 N GLU A 111 7.895 -1.667 7.037 1.00 0.00 N ATOM 718 CA GLU A 111 8.607 -0.568 7.677 1.00 0.00 C ATOM 719 C GLU A 111 7.670 0.608 7.941 1.00 0.00 C ATOM 720 O GLU A 111 6.664 0.778 7.253 1.00 0.00 O ATOM 721 CB GLU A 111 9.780 -0.114 6.806 1.00 0.00 C ATOM 722 CG GLU A 111 10.814 0.708 7.557 1.00 0.00 C ATOM 723 CD GLU A 111 11.812 -0.154 8.306 1.00 0.00 C ATOM 724 OE1 GLU A 111 12.311 -1.134 7.714 1.00 0.00 O ATOM 725 OE2 GLU A 111 12.092 0.150 9.484 1.00 0.00 O ATOM 0 H GLU A 111 7.925 -1.652 6.018 1.00 0.00 H new ATOM 0 HA GLU A 111 8.991 -0.926 8.632 1.00 0.00 H new ATOM 0 HB2 GLU A 111 10.266 -0.992 6.380 1.00 0.00 H new ATOM 0 HB3 GLU A 111 9.396 0.474 5.973 1.00 0.00 H new ATOM 0 HG2 GLU A 111 11.347 1.346 6.852 1.00 0.00 H new ATOM 0 HG3 GLU A 111 10.307 1.366 8.262 1.00 0.00 H new ATOM 732 N GLN A 112 8.009 1.415 8.941 1.00 0.00 N ATOM 733 CA GLN A 112 7.198 2.573 9.296 1.00 0.00 C ATOM 734 C GLN A 112 7.772 3.847 8.685 1.00 0.00 C ATOM 735 O GLN A 112 8.971 3.935 8.418 1.00 0.00 O ATOM 736 CB GLN A 112 7.113 2.716 10.816 1.00 0.00 C ATOM 737 CG GLN A 112 5.905 3.510 11.286 1.00 0.00 C ATOM 738 CD GLN A 112 6.101 5.007 11.150 1.00 0.00 C ATOM 739 OE1 GLN A 112 7.229 5.499 11.150 1.00 0.00 O ATOM 740 NE2 GLN A 112 5.000 5.740 11.033 1.00 0.00 N ATOM 0 H GLN A 112 8.839 1.288 9.519 1.00 0.00 H new ATOM 0 HA GLN A 112 6.196 2.419 8.896 1.00 0.00 H new ATOM 0 HB2 GLN A 112 7.082 1.723 11.265 1.00 0.00 H new ATOM 0 HB3 GLN A 112 8.019 3.201 11.178 1.00 0.00 H new ATOM 0 HG2 GLN A 112 5.030 3.208 10.710 1.00 0.00 H new ATOM 0 HG3 GLN A 112 5.699 3.268 12.329 1.00 0.00 H new ATOM 0 HE21 GLN A 112 4.085 5.290 11.038 1.00 0.00 H new ATOM 0 HE22 GLN A 112 5.070 6.753 10.938 1.00 0.00 H new ATOM 749 N VAL A 113 6.908 4.833 8.464 1.00 0.00 N ATOM 750 CA VAL A 113 7.329 6.104 7.885 1.00 0.00 C ATOM 751 C VAL A 113 6.452 7.249 8.378 1.00 0.00 C ATOM 752 O VAL A 113 5.339 7.032 8.854 1.00 0.00 O ATOM 753 CB VAL A 113 7.282 6.062 6.346 1.00 0.00 C ATOM 754 CG1 VAL A 113 8.077 7.216 5.756 1.00 0.00 C ATOM 755 CG2 VAL A 113 7.804 4.728 5.834 1.00 0.00 C ATOM 0 H VAL A 113 5.912 4.776 8.677 1.00 0.00 H new ATOM 0 HA VAL A 113 8.357 6.273 8.205 1.00 0.00 H new ATOM 0 HB VAL A 113 6.245 6.167 6.028 1.00 0.00 H new ATOM 0 HG11 VAL A 113 8.032 7.170 4.668 1.00 0.00 H new ATOM 0 HG12 VAL A 113 7.654 8.161 6.097 1.00 0.00 H new ATOM 0 HG13 VAL A 113 9.115 7.146 6.080 1.00 0.00 H new ATOM 0 HG21 VAL A 113 7.764 4.715 4.745 1.00 0.00 H new ATOM 0 HG22 VAL A 113 8.835 4.591 6.161 1.00 0.00 H new ATOM 0 HG23 VAL A 113 7.188 3.920 6.229 1.00 0.00 H new ATOM 765 N ASN A 114 6.963 8.471 8.261 1.00 0.00 N ATOM 766 CA ASN A 114 6.227 9.652 8.695 1.00 0.00 C ATOM 767 C ASN A 114 6.191 10.706 7.592 1.00 0.00 C ATOM 768 O ASN A 114 7.233 11.159 7.116 1.00 0.00 O ATOM 769 CB ASN A 114 6.862 10.240 9.957 1.00 0.00 C ATOM 770 CG ASN A 114 7.936 11.263 9.641 1.00 0.00 C ATOM 771 OD1 ASN A 114 9.040 10.912 9.226 1.00 0.00 O ATOM 772 ND2 ASN A 114 7.616 12.536 9.838 1.00 0.00 N ATOM 0 H ASN A 114 7.884 8.668 7.869 1.00 0.00 H new ATOM 0 HA ASN A 114 5.204 9.350 8.919 1.00 0.00 H new ATOM 0 HB2 ASN A 114 6.088 10.706 10.566 1.00 0.00 H new ATOM 0 HB3 ASN A 114 7.294 9.435 10.552 1.00 0.00 H new ATOM 0 HD21 ASN A 114 8.298 13.269 9.644 1.00 0.00 H new ATOM 0 HD22 ASN A 114 6.688 12.781 10.184 1.00 0.00 H new ATOM 779 N THR A 115 4.985 11.095 7.191 1.00 0.00 N ATOM 780 CA THR A 115 4.812 12.095 6.145 1.00 0.00 C ATOM 781 C THR A 115 4.334 13.420 6.725 1.00 0.00 C ATOM 782 O THR A 115 3.645 14.190 6.054 1.00 0.00 O ATOM 783 CB THR A 115 3.808 11.622 5.076 1.00 0.00 C ATOM 784 OG1 THR A 115 4.018 12.340 3.855 1.00 0.00 O ATOM 785 CG2 THR A 115 2.377 11.827 5.551 1.00 0.00 C ATOM 0 H THR A 115 4.113 10.732 7.575 1.00 0.00 H new ATOM 0 HA THR A 115 5.787 12.237 5.679 1.00 0.00 H new ATOM 0 HB THR A 115 3.968 10.558 4.903 1.00 0.00 H new ATOM 0 HG1 THR A 115 3.972 13.303 4.030 1.00 0.00 H new ATOM 0 HG21 THR A 115 1.686 11.486 4.780 1.00 0.00 H new ATOM 0 HG22 THR A 115 2.212 11.256 6.465 1.00 0.00 H new ATOM 0 HG23 THR A 115 2.207 12.885 5.748 1.00 0.00 H new ATOM 793 N ASP A 116 4.703 13.682 7.974 1.00 0.00 N ATOM 794 CA ASP A 116 4.313 14.917 8.644 1.00 0.00 C ATOM 795 C ASP A 116 2.855 15.257 8.350 1.00 0.00 C ATOM 796 O ASP A 116 2.533 16.388 7.985 1.00 0.00 O ATOM 797 CB ASP A 116 5.217 16.069 8.204 1.00 0.00 C ATOM 798 CG ASP A 116 6.464 16.185 9.059 1.00 0.00 C ATOM 799 OD1 ASP A 116 6.327 16.321 10.293 1.00 0.00 O ATOM 800 OD2 ASP A 116 7.577 16.138 8.494 1.00 0.00 O ATOM 0 H ASP A 116 5.272 13.055 8.543 1.00 0.00 H new ATOM 0 HA ASP A 116 4.424 14.769 9.718 1.00 0.00 H new ATOM 0 HB2 ASP A 116 5.506 15.923 7.163 1.00 0.00 H new ATOM 0 HB3 ASP A 116 4.659 17.004 8.252 1.00 0.00 H new ATOM 805 N SER A 117 1.978 14.271 8.509 1.00 0.00 N ATOM 806 CA SER A 117 0.555 14.465 8.256 1.00 0.00 C ATOM 807 C SER A 117 -0.280 13.949 9.424 1.00 0.00 C ATOM 808 O SER A 117 0.253 13.389 10.381 1.00 0.00 O ATOM 809 CB SER A 117 0.144 13.752 6.966 1.00 0.00 C ATOM 810 OG SER A 117 0.511 14.509 5.826 1.00 0.00 O ATOM 0 H SER A 117 2.228 13.330 8.812 1.00 0.00 H new ATOM 0 HA SER A 117 0.373 15.534 8.146 1.00 0.00 H new ATOM 0 HB2 SER A 117 0.617 12.771 6.923 1.00 0.00 H new ATOM 0 HB3 SER A 117 -0.933 13.587 6.965 1.00 0.00 H new ATOM 0 HG SER A 117 0.239 14.031 5.015 1.00 0.00 H new ATOM 816 N GLU A 118 -1.592 14.144 9.337 1.00 0.00 N ATOM 817 CA GLU A 118 -2.501 13.699 10.387 1.00 0.00 C ATOM 818 C GLU A 118 -2.685 12.185 10.342 1.00 0.00 C ATOM 819 O GLU A 118 -2.794 11.530 11.379 1.00 0.00 O ATOM 820 CB GLU A 118 -3.857 14.393 10.245 1.00 0.00 C ATOM 821 CG GLU A 118 -4.850 13.622 9.392 1.00 0.00 C ATOM 822 CD GLU A 118 -5.972 14.496 8.869 1.00 0.00 C ATOM 823 OE1 GLU A 118 -5.717 15.305 7.953 1.00 0.00 O ATOM 824 OE2 GLU A 118 -7.107 14.370 9.376 1.00 0.00 O ATOM 0 H GLU A 118 -2.049 14.607 8.551 1.00 0.00 H new ATOM 0 HA GLU A 118 -2.063 13.966 11.349 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -4.284 14.544 11.237 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -3.706 15.380 9.809 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -4.325 13.169 8.551 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -5.273 12.808 9.980 1.00 0.00 H new ATOM 831 N THR A 119 -2.719 11.634 9.133 1.00 0.00 N ATOM 832 CA THR A 119 -2.891 10.198 8.951 1.00 0.00 C ATOM 833 C THR A 119 -1.578 9.455 9.170 1.00 0.00 C ATOM 834 O THR A 119 -0.506 10.058 9.175 1.00 0.00 O ATOM 835 CB THR A 119 -3.426 9.870 7.545 1.00 0.00 C ATOM 836 OG1 THR A 119 -2.540 10.394 6.549 1.00 0.00 O ATOM 837 CG2 THR A 119 -4.818 10.449 7.346 1.00 0.00 C ATOM 0 H THR A 119 -2.630 12.161 8.264 1.00 0.00 H new ATOM 0 HA THR A 119 -3.619 9.870 9.693 1.00 0.00 H new ATOM 0 HB THR A 119 -3.483 8.786 7.447 1.00 0.00 H new ATOM 0 HG1 THR A 119 -3.063 10.767 5.809 1.00 0.00 H new ATOM 0 HG21 THR A 119 -5.174 10.204 6.345 1.00 0.00 H new ATOM 0 HG22 THR A 119 -5.497 10.027 8.087 1.00 0.00 H new ATOM 0 HG23 THR A 119 -4.782 11.532 7.463 1.00 0.00 H new ATOM 845 N ALA A 120 -1.670 8.141 9.350 1.00 0.00 N ATOM 846 CA ALA A 120 -0.489 7.315 9.566 1.00 0.00 C ATOM 847 C ALA A 120 0.123 6.875 8.240 1.00 0.00 C ATOM 848 O ALA A 120 -0.590 6.614 7.272 1.00 0.00 O ATOM 849 CB ALA A 120 -0.841 6.103 10.415 1.00 0.00 C ATOM 0 H ALA A 120 -2.551 7.626 9.350 1.00 0.00 H new ATOM 0 HA ALA A 120 0.251 7.914 10.097 1.00 0.00 H new ATOM 0 HB1 ALA A 120 0.051 5.495 10.568 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -1.225 6.434 11.380 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -1.601 5.510 9.906 1.00 0.00 H new ATOM 855 N VAL A 121 1.450 6.796 8.204 1.00 0.00 N ATOM 856 CA VAL A 121 2.158 6.387 6.997 1.00 0.00 C ATOM 857 C VAL A 121 2.979 5.126 7.243 1.00 0.00 C ATOM 858 O VAL A 121 3.642 4.994 8.272 1.00 0.00 O ATOM 859 CB VAL A 121 3.090 7.502 6.488 1.00 0.00 C ATOM 860 CG1 VAL A 121 3.657 7.144 5.123 1.00 0.00 C ATOM 861 CG2 VAL A 121 2.351 8.831 6.436 1.00 0.00 C ATOM 0 H VAL A 121 2.056 7.010 8.996 1.00 0.00 H new ATOM 0 HA VAL A 121 1.401 6.183 6.240 1.00 0.00 H new ATOM 0 HB VAL A 121 3.922 7.602 7.185 1.00 0.00 H new ATOM 0 HG11 VAL A 121 4.313 7.944 4.780 1.00 0.00 H new ATOM 0 HG12 VAL A 121 4.224 6.216 5.197 1.00 0.00 H new ATOM 0 HG13 VAL A 121 2.841 7.015 4.412 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.024 9.608 6.074 1.00 0.00 H new ATOM 0 HG22 VAL A 121 1.498 8.747 5.762 1.00 0.00 H new ATOM 0 HG23 VAL A 121 2.000 9.091 7.435 1.00 0.00 H new ATOM 871 N VAL A 122 2.931 4.200 6.290 1.00 0.00 N ATOM 872 CA VAL A 122 3.673 2.950 6.401 1.00 0.00 C ATOM 873 C VAL A 122 4.203 2.502 5.043 1.00 0.00 C ATOM 874 O VAL A 122 3.650 2.855 4.003 1.00 0.00 O ATOM 875 CB VAL A 122 2.797 1.829 6.992 1.00 0.00 C ATOM 876 CG1 VAL A 122 3.465 0.475 6.808 1.00 0.00 C ATOM 877 CG2 VAL A 122 2.512 2.096 8.463 1.00 0.00 C ATOM 0 H VAL A 122 2.386 4.292 5.433 1.00 0.00 H new ATOM 0 HA VAL A 122 4.512 3.138 7.071 1.00 0.00 H new ATOM 0 HB VAL A 122 1.847 1.814 6.457 1.00 0.00 H new ATOM 0 HG11 VAL A 122 2.831 -0.304 7.232 1.00 0.00 H new ATOM 0 HG12 VAL A 122 3.613 0.284 5.745 1.00 0.00 H new ATOM 0 HG13 VAL A 122 4.430 0.473 7.315 1.00 0.00 H new ATOM 0 HG21 VAL A 122 1.892 1.295 8.865 1.00 0.00 H new ATOM 0 HG22 VAL A 122 3.452 2.139 9.014 1.00 0.00 H new ATOM 0 HG23 VAL A 122 1.988 3.046 8.565 1.00 0.00 H new ATOM 887 N ASN A 123 5.278 1.722 5.062 1.00 0.00 N ATOM 888 CA ASN A 123 5.884 1.226 3.832 1.00 0.00 C ATOM 889 C ASN A 123 5.810 -0.297 3.765 1.00 0.00 C ATOM 890 O ASN A 123 6.402 -0.995 4.588 1.00 0.00 O ATOM 891 CB ASN A 123 7.342 1.681 3.737 1.00 0.00 C ATOM 892 CG ASN A 123 7.483 3.029 3.058 1.00 0.00 C ATOM 893 OD1 ASN A 123 6.501 3.611 2.597 1.00 0.00 O ATOM 894 ND2 ASN A 123 8.710 3.533 2.993 1.00 0.00 N ATOM 0 H ASN A 123 5.748 1.420 5.915 1.00 0.00 H new ATOM 0 HA ASN A 123 5.326 1.637 2.990 1.00 0.00 H new ATOM 0 HB2 ASN A 123 7.769 1.735 4.738 1.00 0.00 H new ATOM 0 HB3 ASN A 123 7.917 0.937 3.185 1.00 0.00 H new ATOM 0 HD21 ASN A 123 8.867 4.437 2.548 1.00 0.00 H new ATOM 0 HD22 ASN A 123 9.495 3.016 3.389 1.00 0.00 H new ATOM 901 N VAL A 124 5.078 -0.805 2.778 1.00 0.00 N ATOM 902 CA VAL A 124 4.927 -2.244 2.602 1.00 0.00 C ATOM 903 C VAL A 124 5.887 -2.772 1.541 1.00 0.00 C ATOM 904 O VAL A 124 6.010 -2.199 0.458 1.00 0.00 O ATOM 905 CB VAL A 124 3.486 -2.613 2.202 1.00 0.00 C ATOM 906 CG1 VAL A 124 3.353 -4.115 2.008 1.00 0.00 C ATOM 907 CG2 VAL A 124 2.499 -2.112 3.246 1.00 0.00 C ATOM 0 H VAL A 124 4.581 -0.241 2.089 1.00 0.00 H new ATOM 0 HA VAL A 124 5.160 -2.706 3.562 1.00 0.00 H new ATOM 0 HB VAL A 124 3.255 -2.127 1.254 1.00 0.00 H new ATOM 0 HG11 VAL A 124 2.328 -4.356 1.726 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.033 -4.442 1.221 1.00 0.00 H new ATOM 0 HG13 VAL A 124 3.603 -4.626 2.938 1.00 0.00 H new ATOM 0 HG21 VAL A 124 1.486 -2.381 2.948 1.00 0.00 H new ATOM 0 HG22 VAL A 124 2.727 -2.567 4.210 1.00 0.00 H new ATOM 0 HG23 VAL A 124 2.577 -1.028 3.329 1.00 0.00 H new ATOM 917 N THR A 125 6.567 -3.869 1.860 1.00 0.00 N ATOM 918 CA THR A 125 7.518 -4.474 0.935 1.00 0.00 C ATOM 919 C THR A 125 7.203 -5.949 0.711 1.00 0.00 C ATOM 920 O THR A 125 7.594 -6.805 1.505 1.00 0.00 O ATOM 921 CB THR A 125 8.964 -4.342 1.450 1.00 0.00 C ATOM 922 OG1 THR A 125 9.201 -3.005 1.905 1.00 0.00 O ATOM 923 CG2 THR A 125 9.961 -4.695 0.357 1.00 0.00 C ATOM 0 H THR A 125 6.477 -4.356 2.751 1.00 0.00 H new ATOM 0 HA THR A 125 7.426 -3.938 -0.009 1.00 0.00 H new ATOM 0 HB THR A 125 9.097 -5.037 2.279 1.00 0.00 H new ATOM 0 HG1 THR A 125 9.899 -3.012 2.593 1.00 0.00 H new ATOM 0 HG21 THR A 125 10.975 -4.595 0.743 1.00 0.00 H new ATOM 0 HG22 THR A 125 9.796 -5.722 0.032 1.00 0.00 H new ATOM 0 HG23 THR A 125 9.827 -4.021 -0.489 1.00 0.00 H new ATOM 931 N TYR A 126 6.496 -6.239 -0.375 1.00 0.00 N ATOM 932 CA TYR A 126 6.127 -7.611 -0.703 1.00 0.00 C ATOM 933 C TYR A 126 7.296 -8.350 -1.347 1.00 0.00 C ATOM 934 O TYR A 126 7.989 -7.808 -2.208 1.00 0.00 O ATOM 935 CB TYR A 126 4.920 -7.627 -1.642 1.00 0.00 C ATOM 936 CG TYR A 126 3.630 -7.204 -0.977 1.00 0.00 C ATOM 937 CD1 TYR A 126 3.021 -8.008 -0.021 1.00 0.00 C ATOM 938 CD2 TYR A 126 3.020 -5.999 -1.304 1.00 0.00 C ATOM 939 CE1 TYR A 126 1.842 -7.625 0.588 1.00 0.00 C ATOM 940 CE2 TYR A 126 1.841 -5.607 -0.698 1.00 0.00 C ATOM 941 CZ TYR A 126 1.256 -6.424 0.247 1.00 0.00 C ATOM 942 OH TYR A 126 0.082 -6.039 0.853 1.00 0.00 O ATOM 0 H TYR A 126 6.167 -5.542 -1.043 1.00 0.00 H new ATOM 0 HA TYR A 126 5.864 -8.121 0.224 1.00 0.00 H new ATOM 0 HB2 TYR A 126 5.118 -6.966 -2.486 1.00 0.00 H new ATOM 0 HB3 TYR A 126 4.798 -8.632 -2.046 1.00 0.00 H new ATOM 0 HD1 TYR A 126 3.477 -8.948 0.250 1.00 0.00 H new ATOM 0 HD2 TYR A 126 3.475 -5.358 -2.044 1.00 0.00 H new ATOM 0 HE1 TYR A 126 1.381 -8.263 1.328 1.00 0.00 H new ATOM 0 HE2 TYR A 126 1.381 -4.667 -0.963 1.00 0.00 H new ATOM 0 HH TYR A 126 -0.346 -6.820 1.262 1.00 0.00 H new ATOM 952 N SER A 127 7.509 -9.592 -0.923 1.00 0.00 N ATOM 953 CA SER A 127 8.596 -10.406 -1.455 1.00 0.00 C ATOM 954 C SER A 127 8.536 -10.463 -2.978 1.00 0.00 C ATOM 955 O SER A 127 9.542 -10.261 -3.658 1.00 0.00 O ATOM 956 CB SER A 127 8.531 -11.821 -0.877 1.00 0.00 C ATOM 957 OG SER A 127 9.694 -12.560 -1.208 1.00 0.00 O ATOM 0 H SER A 127 6.943 -10.056 -0.213 1.00 0.00 H new ATOM 0 HA SER A 127 9.540 -9.945 -1.163 1.00 0.00 H new ATOM 0 HB2 SER A 127 8.425 -11.770 0.207 1.00 0.00 H new ATOM 0 HB3 SER A 127 7.649 -12.334 -1.260 1.00 0.00 H new ATOM 0 HG SER A 127 10.460 -12.206 -0.709 1.00 0.00 H new ATOM 963 N SER A 128 7.348 -10.740 -3.508 1.00 0.00 N ATOM 964 CA SER A 128 7.157 -10.829 -4.950 1.00 0.00 C ATOM 965 C SER A 128 6.530 -9.548 -5.494 1.00 0.00 C ATOM 966 O SER A 128 5.908 -8.785 -4.756 1.00 0.00 O ATOM 967 CB SER A 128 6.273 -12.029 -5.296 1.00 0.00 C ATOM 968 OG SER A 128 6.939 -13.249 -5.020 1.00 0.00 O ATOM 0 H SER A 128 6.504 -10.906 -2.960 1.00 0.00 H new ATOM 0 HA SER A 128 8.134 -10.961 -5.414 1.00 0.00 H new ATOM 0 HB2 SER A 128 5.347 -11.979 -4.724 1.00 0.00 H new ATOM 0 HB3 SER A 128 5.999 -11.991 -6.350 1.00 0.00 H new ATOM 0 HG SER A 128 6.353 -14.001 -5.248 1.00 0.00 H new ATOM 974 N LYS A 129 6.699 -9.320 -6.792 1.00 0.00 N ATOM 975 CA LYS A 129 6.151 -8.133 -7.439 1.00 0.00 C ATOM 976 C LYS A 129 4.629 -8.207 -7.510 1.00 0.00 C ATOM 977 O LYS A 129 3.930 -7.371 -6.938 1.00 0.00 O ATOM 978 CB LYS A 129 6.731 -7.980 -8.846 1.00 0.00 C ATOM 979 CG LYS A 129 8.098 -7.318 -8.872 1.00 0.00 C ATOM 980 CD LYS A 129 9.199 -8.299 -8.509 1.00 0.00 C ATOM 981 CE LYS A 129 9.604 -9.150 -9.703 1.00 0.00 C ATOM 982 NZ LYS A 129 10.671 -10.128 -9.352 1.00 0.00 N ATOM 0 H LYS A 129 7.211 -9.942 -7.417 1.00 0.00 H new ATOM 0 HA LYS A 129 6.428 -7.264 -6.843 1.00 0.00 H new ATOM 0 HB2 LYS A 129 6.804 -8.964 -9.309 1.00 0.00 H new ATOM 0 HB3 LYS A 129 6.041 -7.393 -9.453 1.00 0.00 H new ATOM 0 HG2 LYS A 129 8.286 -6.909 -9.865 1.00 0.00 H new ATOM 0 HG3 LYS A 129 8.111 -6.480 -8.175 1.00 0.00 H new ATOM 0 HD2 LYS A 129 10.067 -7.753 -8.139 1.00 0.00 H new ATOM 0 HD3 LYS A 129 8.860 -8.945 -7.699 1.00 0.00 H new ATOM 0 HE2 LYS A 129 8.732 -9.684 -10.081 1.00 0.00 H new ATOM 0 HE3 LYS A 129 9.955 -8.503 -10.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 10.919 -10.688 -10.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 11.513 -9.618 -9.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 10.328 -10.762 -8.602 1.00 0.00 H new ATOM 996 N ASP A 130 4.122 -9.214 -8.214 1.00 0.00 N ATOM 997 CA ASP A 130 2.683 -9.398 -8.358 1.00 0.00 C ATOM 998 C ASP A 130 1.965 -9.117 -7.042 1.00 0.00 C ATOM 999 O ASP A 130 1.066 -8.279 -6.981 1.00 0.00 O ATOM 1000 CB ASP A 130 2.374 -10.820 -8.828 1.00 0.00 C ATOM 1001 CG ASP A 130 2.460 -10.963 -10.335 1.00 0.00 C ATOM 1002 OD1 ASP A 130 1.794 -10.180 -11.044 1.00 0.00 O ATOM 1003 OD2 ASP A 130 3.192 -11.859 -10.806 1.00 0.00 O ATOM 0 H ASP A 130 4.687 -9.915 -8.694 1.00 0.00 H new ATOM 0 HA ASP A 130 2.324 -8.690 -9.105 1.00 0.00 H new ATOM 0 HB2 ASP A 130 3.072 -11.514 -8.360 1.00 0.00 H new ATOM 0 HB3 ASP A 130 1.374 -11.100 -8.496 1.00 0.00 H new ATOM 1008 N GLN A 131 2.368 -9.825 -5.991 1.00 0.00 N ATOM 1009 CA GLN A 131 1.761 -9.652 -4.676 1.00 0.00 C ATOM 1010 C GLN A 131 1.522 -8.176 -4.377 1.00 0.00 C ATOM 1011 O GLN A 131 0.512 -7.810 -3.776 1.00 0.00 O ATOM 1012 CB GLN A 131 2.652 -10.267 -3.596 1.00 0.00 C ATOM 1013 CG GLN A 131 2.496 -11.773 -3.463 1.00 0.00 C ATOM 1014 CD GLN A 131 3.719 -12.435 -2.859 1.00 0.00 C ATOM 1015 OE1 GLN A 131 4.634 -11.761 -2.385 1.00 0.00 O ATOM 1016 NE2 GLN A 131 3.740 -13.763 -2.872 1.00 0.00 N ATOM 0 H GLN A 131 3.111 -10.523 -6.024 1.00 0.00 H new ATOM 0 HA GLN A 131 0.798 -10.163 -4.677 1.00 0.00 H new ATOM 0 HB2 GLN A 131 3.693 -10.037 -3.821 1.00 0.00 H new ATOM 0 HB3 GLN A 131 2.422 -9.800 -2.638 1.00 0.00 H new ATOM 0 HG2 GLN A 131 1.626 -11.991 -2.843 1.00 0.00 H new ATOM 0 HG3 GLN A 131 2.303 -12.203 -4.446 1.00 0.00 H new ATOM 0 HE21 GLN A 131 2.960 -14.281 -3.275 1.00 0.00 H new ATOM 0 HE22 GLN A 131 4.536 -14.264 -2.479 1.00 0.00 H new ATOM 1025 N ALA A 132 2.459 -7.332 -4.798 1.00 0.00 N ATOM 1026 CA ALA A 132 2.350 -5.896 -4.576 1.00 0.00 C ATOM 1027 C ALA A 132 1.296 -5.278 -5.490 1.00 0.00 C ATOM 1028 O ALA A 132 0.484 -4.463 -5.053 1.00 0.00 O ATOM 1029 CB ALA A 132 3.698 -5.224 -4.792 1.00 0.00 C ATOM 0 H ALA A 132 3.302 -7.619 -5.295 1.00 0.00 H new ATOM 0 HA ALA A 132 2.038 -5.736 -3.544 1.00 0.00 H new ATOM 0 HB1 ALA A 132 3.601 -4.152 -4.623 1.00 0.00 H new ATOM 0 HB2 ALA A 132 4.426 -5.637 -4.094 1.00 0.00 H new ATOM 0 HB3 ALA A 132 4.033 -5.401 -5.814 1.00 0.00 H new ATOM 1035 N ARG A 133 1.317 -5.671 -6.759 1.00 0.00 N ATOM 1036 CA ARG A 133 0.364 -5.154 -7.734 1.00 0.00 C ATOM 1037 C ARG A 133 -1.043 -5.104 -7.146 1.00 0.00 C ATOM 1038 O ARG A 133 -1.676 -4.049 -7.115 1.00 0.00 O ATOM 1039 CB ARG A 133 0.372 -6.020 -8.995 1.00 0.00 C ATOM 1040 CG ARG A 133 -0.502 -5.475 -10.113 1.00 0.00 C ATOM 1041 CD ARG A 133 0.249 -4.463 -10.964 1.00 0.00 C ATOM 1042 NE ARG A 133 -0.374 -4.278 -12.272 1.00 0.00 N ATOM 1043 CZ ARG A 133 -0.020 -3.324 -13.126 1.00 0.00 C ATOM 1044 NH1 ARG A 133 0.948 -2.474 -12.812 1.00 0.00 N ATOM 1045 NH2 ARG A 133 -0.634 -3.220 -14.298 1.00 0.00 N ATOM 0 H ARG A 133 1.983 -6.345 -7.136 1.00 0.00 H new ATOM 0 HA ARG A 133 0.665 -4.140 -7.996 1.00 0.00 H new ATOM 0 HB2 ARG A 133 1.396 -6.110 -9.357 1.00 0.00 H new ATOM 0 HB3 ARG A 133 0.035 -7.024 -8.738 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -0.845 -6.297 -10.741 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -1.389 -5.007 -9.687 1.00 0.00 H new ATOM 0 HD2 ARG A 133 0.286 -3.507 -10.442 1.00 0.00 H new ATOM 0 HD3 ARG A 133 1.279 -4.794 -11.097 1.00 0.00 H new ATOM 0 HE ARG A 133 -1.122 -4.916 -12.545 1.00 0.00 H new ATOM 0 HH11 ARG A 133 1.423 -2.552 -11.913 1.00 0.00 H new ATOM 0 HH12 ARG A 133 1.218 -1.743 -13.470 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -1.378 -3.873 -14.544 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -0.362 -2.487 -14.953 1.00 0.00 H new ATOM 1059 N GLN A 134 -1.526 -6.253 -6.683 1.00 0.00 N ATOM 1060 CA GLN A 134 -2.859 -6.340 -6.098 1.00 0.00 C ATOM 1061 C GLN A 134 -2.976 -5.436 -4.875 1.00 0.00 C ATOM 1062 O GLN A 134 -3.815 -4.537 -4.835 1.00 0.00 O ATOM 1063 CB GLN A 134 -3.175 -7.786 -5.710 1.00 0.00 C ATOM 1064 CG GLN A 134 -4.652 -8.132 -5.805 1.00 0.00 C ATOM 1065 CD GLN A 134 -5.039 -8.672 -7.168 1.00 0.00 C ATOM 1066 OE1 GLN A 134 -4.821 -8.022 -8.191 1.00 0.00 O ATOM 1067 NE2 GLN A 134 -5.615 -9.868 -7.189 1.00 0.00 N ATOM 0 H GLN A 134 -1.015 -7.135 -6.702 1.00 0.00 H new ATOM 0 HA GLN A 134 -3.579 -6.006 -6.845 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -2.610 -8.458 -6.356 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -2.834 -7.963 -4.690 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -4.898 -8.871 -5.043 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -5.244 -7.243 -5.589 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -5.777 -10.372 -6.317 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -5.896 -10.283 -8.077 1.00 0.00 H new ATOM 1076 N ALA A 135 -2.131 -5.682 -3.880 1.00 0.00 N ATOM 1077 CA ALA A 135 -2.139 -4.889 -2.657 1.00 0.00 C ATOM 1078 C ALA A 135 -2.467 -3.429 -2.951 1.00 0.00 C ATOM 1079 O ALA A 135 -3.418 -2.873 -2.401 1.00 0.00 O ATOM 1080 CB ALA A 135 -0.797 -4.998 -1.948 1.00 0.00 C ATOM 0 H ALA A 135 -1.432 -6.424 -3.897 1.00 0.00 H new ATOM 0 HA ALA A 135 -2.916 -5.284 -2.003 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -0.818 -4.401 -1.036 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -0.603 -6.040 -1.695 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -0.008 -4.631 -2.604 1.00 0.00 H new ATOM 1086 N LEU A 136 -1.673 -2.813 -3.820 1.00 0.00 N ATOM 1087 CA LEU A 136 -1.879 -1.417 -4.188 1.00 0.00 C ATOM 1088 C LEU A 136 -3.138 -1.256 -5.034 1.00 0.00 C ATOM 1089 O LEU A 136 -4.001 -0.433 -4.729 1.00 0.00 O ATOM 1090 CB LEU A 136 -0.665 -0.886 -4.953 1.00 0.00 C ATOM 1091 CG LEU A 136 -0.871 0.425 -5.712 1.00 0.00 C ATOM 1092 CD1 LEU A 136 0.466 1.089 -6.002 1.00 0.00 C ATOM 1093 CD2 LEU A 136 -1.638 0.179 -7.003 1.00 0.00 C ATOM 0 H LEU A 136 -0.881 -3.258 -4.283 1.00 0.00 H new ATOM 0 HA LEU A 136 -2.004 -0.840 -3.271 1.00 0.00 H new ATOM 0 HB2 LEU A 136 0.153 -0.749 -4.246 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -0.347 -1.648 -5.664 1.00 0.00 H new ATOM 0 HG LEU A 136 -1.459 1.097 -5.086 1.00 0.00 H new ATOM 0 HD11 LEU A 136 0.300 2.021 -6.543 1.00 0.00 H new ATOM 0 HD12 LEU A 136 0.978 1.301 -5.063 1.00 0.00 H new ATOM 0 HD13 LEU A 136 1.080 0.422 -6.608 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -1.775 1.123 -7.530 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -1.077 -0.510 -7.634 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -2.612 -0.252 -6.771 1.00 0.00 H new ATOM 1105 N ASP A 137 -3.236 -2.048 -6.096 1.00 0.00 N ATOM 1106 CA ASP A 137 -4.391 -1.996 -6.984 1.00 0.00 C ATOM 1107 C ASP A 137 -5.689 -1.932 -6.185 1.00 0.00 C ATOM 1108 O ASP A 137 -6.709 -1.449 -6.675 1.00 0.00 O ATOM 1109 CB ASP A 137 -4.405 -3.214 -7.909 1.00 0.00 C ATOM 1110 CG ASP A 137 -3.549 -3.014 -9.143 1.00 0.00 C ATOM 1111 OD1 ASP A 137 -2.415 -2.510 -9.003 1.00 0.00 O ATOM 1112 OD2 ASP A 137 -4.012 -3.362 -10.250 1.00 0.00 O ATOM 0 H ASP A 137 -2.529 -2.734 -6.363 1.00 0.00 H new ATOM 0 HA ASP A 137 -4.314 -1.092 -7.588 1.00 0.00 H new ATOM 0 HB2 ASP A 137 -4.049 -4.087 -7.361 1.00 0.00 H new ATOM 0 HB3 ASP A 137 -5.431 -3.424 -8.212 1.00 0.00 H new ATOM 1117 N LYS A 138 -5.643 -2.425 -4.952 1.00 0.00 N ATOM 1118 CA LYS A 138 -6.814 -2.425 -4.084 1.00 0.00 C ATOM 1119 C LYS A 138 -6.708 -1.331 -3.027 1.00 0.00 C ATOM 1120 O LYS A 138 -7.526 -0.410 -2.987 1.00 0.00 O ATOM 1121 CB LYS A 138 -6.973 -3.789 -3.407 1.00 0.00 C ATOM 1122 CG LYS A 138 -7.219 -4.927 -4.383 1.00 0.00 C ATOM 1123 CD LYS A 138 -8.572 -4.798 -5.061 1.00 0.00 C ATOM 1124 CE LYS A 138 -8.937 -6.063 -5.822 1.00 0.00 C ATOM 1125 NZ LYS A 138 -8.120 -6.222 -7.057 1.00 0.00 N ATOM 0 H LYS A 138 -4.807 -2.830 -4.531 1.00 0.00 H new ATOM 0 HA LYS A 138 -7.691 -2.227 -4.700 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -6.075 -4.005 -2.829 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -7.802 -3.741 -2.701 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -6.432 -4.937 -5.138 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -7.165 -5.879 -3.854 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -9.337 -4.589 -4.313 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -8.557 -3.951 -5.747 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -8.792 -6.930 -5.177 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -9.994 -6.035 -6.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -8.399 -7.096 -7.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -8.277 -5.408 -7.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -7.113 -6.274 -6.803 1.00 0.00 H new ATOM 1139 N LEU A 139 -5.695 -1.435 -2.174 1.00 0.00 N ATOM 1140 CA LEU A 139 -5.481 -0.453 -1.117 1.00 0.00 C ATOM 1141 C LEU A 139 -5.558 0.967 -1.669 1.00 0.00 C ATOM 1142 O LEU A 139 -6.221 1.831 -1.097 1.00 0.00 O ATOM 1143 CB LEU A 139 -4.123 -0.680 -0.450 1.00 0.00 C ATOM 1144 CG LEU A 139 -3.930 -2.033 0.235 1.00 0.00 C ATOM 1145 CD1 LEU A 139 -2.452 -2.376 0.333 1.00 0.00 C ATOM 1146 CD2 LEU A 139 -4.570 -2.028 1.616 1.00 0.00 C ATOM 0 H LEU A 139 -5.009 -2.189 -2.194 1.00 0.00 H new ATOM 0 HA LEU A 139 -6.269 -0.578 -0.374 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -3.346 -0.563 -1.205 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -3.968 0.105 0.290 1.00 0.00 H new ATOM 0 HG LEU A 139 -4.420 -2.797 -0.369 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -2.334 -3.342 0.823 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -2.022 -2.422 -0.668 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -1.938 -1.610 0.914 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -4.423 -2.999 2.089 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -4.109 -1.253 2.228 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -5.637 -1.829 1.522 1.00 0.00 H new ATOM 1158 N ASN A 140 -4.876 1.200 -2.786 1.00 0.00 N ATOM 1159 CA ASN A 140 -4.868 2.514 -3.417 1.00 0.00 C ATOM 1160 C ASN A 140 -6.256 3.145 -3.377 1.00 0.00 C ATOM 1161 O ASN A 140 -6.396 4.367 -3.423 1.00 0.00 O ATOM 1162 CB ASN A 140 -4.388 2.405 -4.866 1.00 0.00 C ATOM 1163 CG ASN A 140 -4.722 3.639 -5.681 1.00 0.00 C ATOM 1164 OD1 ASN A 140 -5.889 3.912 -5.965 1.00 0.00 O ATOM 1165 ND2 ASN A 140 -3.697 4.392 -6.062 1.00 0.00 N ATOM 0 H ASN A 140 -4.322 0.495 -3.272 1.00 0.00 H new ATOM 0 HA ASN A 140 -4.181 3.152 -2.860 1.00 0.00 H new ATOM 0 HB2 ASN A 140 -3.310 2.247 -4.877 1.00 0.00 H new ATOM 0 HB3 ASN A 140 -4.844 1.531 -5.332 1.00 0.00 H new ATOM 0 HD21 ASN A 140 -3.860 5.235 -6.613 1.00 0.00 H new ATOM 0 HD22 ASN A 140 -2.746 4.128 -5.804 1.00 0.00 H new ATOM 1172 N GLY A 141 -7.281 2.303 -3.289 1.00 0.00 N ATOM 1173 CA GLY A 141 -8.645 2.796 -3.242 1.00 0.00 C ATOM 1174 C GLY A 141 -9.433 2.216 -2.084 1.00 0.00 C ATOM 1175 O GLY A 141 -10.604 2.545 -1.894 1.00 0.00 O ATOM 0 H GLY A 141 -7.191 1.288 -3.249 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -8.632 3.883 -3.160 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -9.148 2.553 -4.178 1.00 0.00 H new ATOM 1179 N PHE A 142 -8.790 1.350 -1.309 1.00 0.00 N ATOM 1180 CA PHE A 142 -9.439 0.720 -0.164 1.00 0.00 C ATOM 1181 C PHE A 142 -9.838 1.763 0.876 1.00 0.00 C ATOM 1182 O PHE A 142 -8.984 2.358 1.532 1.00 0.00 O ATOM 1183 CB PHE A 142 -8.509 -0.317 0.468 1.00 0.00 C ATOM 1184 CG PHE A 142 -9.143 -1.082 1.595 1.00 0.00 C ATOM 1185 CD1 PHE A 142 -9.452 -0.451 2.790 1.00 0.00 C ATOM 1186 CD2 PHE A 142 -9.431 -2.430 1.460 1.00 0.00 C ATOM 1187 CE1 PHE A 142 -10.035 -1.152 3.829 1.00 0.00 C ATOM 1188 CE2 PHE A 142 -10.014 -3.137 2.495 1.00 0.00 C ATOM 1189 CZ PHE A 142 -10.317 -2.496 3.681 1.00 0.00 C ATOM 0 H PHE A 142 -7.820 1.068 -1.452 1.00 0.00 H new ATOM 0 HA PHE A 142 -10.341 0.221 -0.518 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -8.185 -1.019 -0.300 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -7.615 0.186 0.838 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -9.235 0.600 2.911 1.00 0.00 H new ATOM 0 HD2 PHE A 142 -9.197 -2.935 0.534 1.00 0.00 H new ATOM 0 HE1 PHE A 142 -10.270 -0.649 4.756 1.00 0.00 H new ATOM 0 HE2 PHE A 142 -10.232 -4.188 2.377 1.00 0.00 H new ATOM 0 HZ PHE A 142 -10.774 -3.045 4.491 1.00 0.00 H new ATOM 1199 N GLN A 143 -11.142 1.978 1.018 1.00 0.00 N ATOM 1200 CA GLN A 143 -11.655 2.950 1.977 1.00 0.00 C ATOM 1201 C GLN A 143 -11.754 2.339 3.371 1.00 0.00 C ATOM 1202 O GLN A 143 -12.686 1.588 3.666 1.00 0.00 O ATOM 1203 CB GLN A 143 -13.026 3.462 1.533 1.00 0.00 C ATOM 1204 CG GLN A 143 -13.329 4.875 2.002 1.00 0.00 C ATOM 1205 CD GLN A 143 -14.743 5.310 1.670 1.00 0.00 C ATOM 1206 OE1 GLN A 143 -15.023 5.757 0.557 1.00 0.00 O ATOM 1207 NE2 GLN A 143 -15.645 5.181 2.636 1.00 0.00 N ATOM 0 H GLN A 143 -11.862 1.493 0.482 1.00 0.00 H new ATOM 0 HA GLN A 143 -10.958 3.787 2.016 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -13.082 3.430 0.445 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -13.796 2.790 1.912 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -13.178 4.936 3.080 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -12.623 5.566 1.541 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -15.370 4.806 3.544 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -16.613 5.457 2.470 1.00 0.00 H new ATOM 1216 N LEU A 144 -10.790 2.664 4.224 1.00 0.00 N ATOM 1217 CA LEU A 144 -10.768 2.146 5.588 1.00 0.00 C ATOM 1218 C LEU A 144 -11.102 3.245 6.592 1.00 0.00 C ATOM 1219 O LEU A 144 -10.384 4.238 6.702 1.00 0.00 O ATOM 1220 CB LEU A 144 -9.397 1.549 5.906 1.00 0.00 C ATOM 1221 CG LEU A 144 -9.351 0.553 7.066 1.00 0.00 C ATOM 1222 CD1 LEU A 144 -8.117 -0.330 6.963 1.00 0.00 C ATOM 1223 CD2 LEU A 144 -9.374 1.287 8.399 1.00 0.00 C ATOM 0 H LEU A 144 -10.013 3.284 3.996 1.00 0.00 H new ATOM 0 HA LEU A 144 -11.524 1.365 5.666 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -9.023 1.051 5.011 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -8.710 2.366 6.127 1.00 0.00 H new ATOM 0 HG LEU A 144 -10.234 -0.084 7.009 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -8.101 -1.032 7.797 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -8.142 -0.882 6.024 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -7.222 0.291 6.995 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -9.341 0.563 9.213 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -8.510 1.948 8.465 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -10.288 1.876 8.474 1.00 0.00 H new ATOM 1235 N GLU A 145 -12.196 3.057 7.324 1.00 0.00 N ATOM 1236 CA GLU A 145 -12.624 4.032 8.321 1.00 0.00 C ATOM 1237 C GLU A 145 -12.852 5.399 7.682 1.00 0.00 C ATOM 1238 O GLU A 145 -12.492 6.429 8.249 1.00 0.00 O ATOM 1239 CB GLU A 145 -11.582 4.146 9.435 1.00 0.00 C ATOM 1240 CG GLU A 145 -11.574 2.960 10.385 1.00 0.00 C ATOM 1241 CD GLU A 145 -11.113 3.333 11.780 1.00 0.00 C ATOM 1242 OE1 GLU A 145 -11.459 4.440 12.243 1.00 0.00 O ATOM 1243 OE2 GLU A 145 -10.405 2.519 12.409 1.00 0.00 O ATOM 0 H GLU A 145 -12.801 2.240 7.246 1.00 0.00 H new ATOM 0 HA GLU A 145 -13.566 3.687 8.748 1.00 0.00 H new ATOM 0 HB2 GLU A 145 -10.594 4.249 8.987 1.00 0.00 H new ATOM 0 HB3 GLU A 145 -11.770 5.056 10.005 1.00 0.00 H new ATOM 0 HG2 GLU A 145 -12.577 2.536 10.439 1.00 0.00 H new ATOM 0 HG3 GLU A 145 -10.921 2.184 9.986 1.00 0.00 H new ATOM 1250 N ASN A 146 -13.453 5.398 6.496 1.00 0.00 N ATOM 1251 CA ASN A 146 -13.729 6.637 5.778 1.00 0.00 C ATOM 1252 C ASN A 146 -12.432 7.327 5.365 1.00 0.00 C ATOM 1253 O ASN A 146 -12.344 8.555 5.360 1.00 0.00 O ATOM 1254 CB ASN A 146 -14.566 7.579 6.647 1.00 0.00 C ATOM 1255 CG ASN A 146 -15.709 6.863 7.340 1.00 0.00 C ATOM 1256 OD1 ASN A 146 -16.322 5.957 6.776 1.00 0.00 O ATOM 1257 ND2 ASN A 146 -16.001 7.268 8.571 1.00 0.00 N ATOM 0 H ASN A 146 -13.758 4.553 6.012 1.00 0.00 H new ATOM 0 HA ASN A 146 -14.291 6.388 4.878 1.00 0.00 H new ATOM 0 HB2 ASN A 146 -13.925 8.044 7.396 1.00 0.00 H new ATOM 0 HB3 ASN A 146 -14.966 8.381 6.027 1.00 0.00 H new ATOM 0 HD21 ASN A 146 -16.760 6.824 9.087 1.00 0.00 H new ATOM 0 HD22 ASN A 146 -15.466 8.023 9.000 1.00 0.00 H new ATOM 1264 N PHE A 147 -11.429 6.528 5.018 1.00 0.00 N ATOM 1265 CA PHE A 147 -10.136 7.061 4.603 1.00 0.00 C ATOM 1266 C PHE A 147 -9.566 6.258 3.437 1.00 0.00 C ATOM 1267 O PHE A 147 -9.084 5.139 3.615 1.00 0.00 O ATOM 1268 CB PHE A 147 -9.154 7.045 5.776 1.00 0.00 C ATOM 1269 CG PHE A 147 -9.287 8.234 6.685 1.00 0.00 C ATOM 1270 CD1 PHE A 147 -8.842 9.483 6.283 1.00 0.00 C ATOM 1271 CD2 PHE A 147 -9.857 8.102 7.941 1.00 0.00 C ATOM 1272 CE1 PHE A 147 -8.964 10.579 7.117 1.00 0.00 C ATOM 1273 CE2 PHE A 147 -9.981 9.194 8.779 1.00 0.00 C ATOM 1274 CZ PHE A 147 -9.533 10.434 8.367 1.00 0.00 C ATOM 0 H PHE A 147 -11.486 5.510 5.016 1.00 0.00 H new ATOM 0 HA PHE A 147 -10.283 8.090 4.275 1.00 0.00 H new ATOM 0 HB2 PHE A 147 -9.308 6.135 6.356 1.00 0.00 H new ATOM 0 HB3 PHE A 147 -8.136 7.007 5.387 1.00 0.00 H new ATOM 0 HD1 PHE A 147 -8.395 9.602 5.307 1.00 0.00 H new ATOM 0 HD2 PHE A 147 -10.208 7.135 8.269 1.00 0.00 H new ATOM 0 HE1 PHE A 147 -8.615 11.548 6.791 1.00 0.00 H new ATOM 0 HE2 PHE A 147 -10.428 9.078 9.755 1.00 0.00 H new ATOM 0 HZ PHE A 147 -9.627 11.288 9.021 1.00 0.00 H new ATOM 1284 N THR A 148 -9.625 6.838 2.242 1.00 0.00 N ATOM 1285 CA THR A 148 -9.117 6.177 1.046 1.00 0.00 C ATOM 1286 C THR A 148 -7.610 5.964 1.134 1.00 0.00 C ATOM 1287 O THR A 148 -6.829 6.897 0.946 1.00 0.00 O ATOM 1288 CB THR A 148 -9.436 6.990 -0.223 1.00 0.00 C ATOM 1289 OG1 THR A 148 -10.778 7.486 -0.162 1.00 0.00 O ATOM 1290 CG2 THR A 148 -9.261 6.137 -1.470 1.00 0.00 C ATOM 0 H THR A 148 -10.019 7.764 2.077 1.00 0.00 H new ATOM 0 HA THR A 148 -9.615 5.209 0.984 1.00 0.00 H new ATOM 0 HB THR A 148 -8.741 7.828 -0.275 1.00 0.00 H new ATOM 0 HG1 THR A 148 -10.973 8.003 -0.971 1.00 0.00 H new ATOM 0 HG21 THR A 148 -9.492 6.732 -2.353 1.00 0.00 H new ATOM 0 HG22 THR A 148 -8.231 5.785 -1.528 1.00 0.00 H new ATOM 0 HG23 THR A 148 -9.935 5.281 -1.423 1.00 0.00 H new ATOM 1298 N LEU A 149 -7.208 4.730 1.420 1.00 0.00 N ATOM 1299 CA LEU A 149 -5.793 4.394 1.532 1.00 0.00 C ATOM 1300 C LEU A 149 -5.052 4.718 0.239 1.00 0.00 C ATOM 1301 O LEU A 149 -5.254 4.066 -0.786 1.00 0.00 O ATOM 1302 CB LEU A 149 -5.627 2.911 1.871 1.00 0.00 C ATOM 1303 CG LEU A 149 -6.323 2.431 3.145 1.00 0.00 C ATOM 1304 CD1 LEU A 149 -6.224 0.919 3.270 1.00 0.00 C ATOM 1305 CD2 LEU A 149 -5.725 3.111 4.368 1.00 0.00 C ATOM 0 H LEU A 149 -7.842 3.946 1.578 1.00 0.00 H new ATOM 0 HA LEU A 149 -5.364 4.995 2.334 1.00 0.00 H new ATOM 0 HB2 LEU A 149 -6.002 2.323 1.033 1.00 0.00 H new ATOM 0 HB3 LEU A 149 -4.562 2.696 1.960 1.00 0.00 H new ATOM 0 HG LEU A 149 -7.377 2.701 3.084 1.00 0.00 H new ATOM 0 HD11 LEU A 149 -6.725 0.596 4.183 1.00 0.00 H new ATOM 0 HD12 LEU A 149 -6.701 0.451 2.409 1.00 0.00 H new ATOM 0 HD13 LEU A 149 -5.175 0.625 3.308 1.00 0.00 H new ATOM 0 HD21 LEU A 149 -6.233 2.757 5.265 1.00 0.00 H new ATOM 0 HD22 LEU A 149 -4.663 2.873 4.434 1.00 0.00 H new ATOM 0 HD23 LEU A 149 -5.850 4.190 4.282 1.00 0.00 H new ATOM 1317 N LYS A 150 -4.192 5.729 0.293 1.00 0.00 N ATOM 1318 CA LYS A 150 -3.417 6.138 -0.872 1.00 0.00 C ATOM 1319 C LYS A 150 -2.114 5.350 -0.963 1.00 0.00 C ATOM 1320 O LYS A 150 -1.210 5.528 -0.146 1.00 0.00 O ATOM 1321 CB LYS A 150 -3.115 7.637 -0.808 1.00 0.00 C ATOM 1322 CG LYS A 150 -4.358 8.504 -0.709 1.00 0.00 C ATOM 1323 CD LYS A 150 -4.038 9.969 -0.958 1.00 0.00 C ATOM 1324 CE LYS A 150 -5.249 10.722 -1.486 1.00 0.00 C ATOM 1325 NZ LYS A 150 -4.855 11.893 -2.318 1.00 0.00 N ATOM 0 H LYS A 150 -4.014 6.281 1.132 1.00 0.00 H new ATOM 0 HA LYS A 150 -4.010 5.930 -1.763 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -2.475 7.834 0.052 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -2.552 7.924 -1.696 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -5.098 8.164 -1.433 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -4.804 8.391 0.279 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -3.697 10.431 -0.031 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -3.219 10.047 -1.673 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -5.866 10.047 -2.079 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -5.860 11.060 -0.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -5.709 12.380 -2.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -4.287 12.550 -1.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -4.294 11.568 -3.131 1.00 0.00 H new ATOM 1339 N VAL A 151 -2.023 4.480 -1.964 1.00 0.00 N ATOM 1340 CA VAL A 151 -0.830 3.666 -2.163 1.00 0.00 C ATOM 1341 C VAL A 151 -0.142 4.013 -3.479 1.00 0.00 C ATOM 1342 O VAL A 151 -0.795 4.160 -4.512 1.00 0.00 O ATOM 1343 CB VAL A 151 -1.167 2.163 -2.153 1.00 0.00 C ATOM 1344 CG1 VAL A 151 0.101 1.333 -2.023 1.00 0.00 C ATOM 1345 CG2 VAL A 151 -2.141 1.844 -1.030 1.00 0.00 C ATOM 0 H VAL A 151 -2.761 4.321 -2.650 1.00 0.00 H new ATOM 0 HA VAL A 151 -0.156 3.884 -1.335 1.00 0.00 H new ATOM 0 HB VAL A 151 -1.644 1.908 -3.099 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -0.156 0.274 -2.018 1.00 0.00 H new ATOM 0 HG12 VAL A 151 0.761 1.542 -2.865 1.00 0.00 H new ATOM 0 HG13 VAL A 151 0.609 1.588 -1.093 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -2.368 0.778 -1.037 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -1.694 2.113 -0.073 1.00 0.00 H new ATOM 0 HG23 VAL A 151 -3.060 2.412 -1.173 1.00 0.00 H new ATOM 1355 N ALA A 152 1.180 4.142 -3.434 1.00 0.00 N ATOM 1356 CA ALA A 152 1.957 4.468 -4.623 1.00 0.00 C ATOM 1357 C ALA A 152 3.337 3.823 -4.571 1.00 0.00 C ATOM 1358 O ALA A 152 3.949 3.727 -3.507 1.00 0.00 O ATOM 1359 CB ALA A 152 2.082 5.977 -4.773 1.00 0.00 C ATOM 0 H ALA A 152 1.735 4.026 -2.586 1.00 0.00 H new ATOM 0 HA ALA A 152 1.432 4.070 -5.491 1.00 0.00 H new ATOM 0 HB1 ALA A 152 2.665 6.207 -5.665 1.00 0.00 H new ATOM 0 HB2 ALA A 152 1.089 6.417 -4.865 1.00 0.00 H new ATOM 0 HB3 ALA A 152 2.582 6.390 -3.897 1.00 0.00 H new ATOM 1365 N TYR A 153 3.822 3.381 -5.726 1.00 0.00 N ATOM 1366 CA TYR A 153 5.129 2.742 -5.812 1.00 0.00 C ATOM 1367 C TYR A 153 6.239 3.717 -5.432 1.00 0.00 C ATOM 1368 O TYR A 153 6.533 4.658 -6.171 1.00 0.00 O ATOM 1369 CB TYR A 153 5.367 2.206 -7.225 1.00 0.00 C ATOM 1370 CG TYR A 153 4.793 0.827 -7.454 1.00 0.00 C ATOM 1371 CD1 TYR A 153 5.485 -0.310 -7.055 1.00 0.00 C ATOM 1372 CD2 TYR A 153 3.558 0.660 -8.069 1.00 0.00 C ATOM 1373 CE1 TYR A 153 4.964 -1.573 -7.263 1.00 0.00 C ATOM 1374 CE2 TYR A 153 3.030 -0.599 -8.281 1.00 0.00 C ATOM 1375 CZ TYR A 153 3.737 -1.712 -7.876 1.00 0.00 C ATOM 1376 OH TYR A 153 3.214 -2.968 -8.084 1.00 0.00 O ATOM 0 H TYR A 153 3.329 3.454 -6.616 1.00 0.00 H new ATOM 0 HA TYR A 153 5.145 1.910 -5.108 1.00 0.00 H new ATOM 0 HB2 TYR A 153 4.929 2.897 -7.945 1.00 0.00 H new ATOM 0 HB3 TYR A 153 6.439 2.181 -7.419 1.00 0.00 H new ATOM 0 HD1 TYR A 153 6.446 -0.205 -6.574 1.00 0.00 H new ATOM 0 HD2 TYR A 153 3.001 1.529 -8.387 1.00 0.00 H new ATOM 0 HE1 TYR A 153 5.515 -2.446 -6.947 1.00 0.00 H new ATOM 0 HE2 TYR A 153 2.069 -0.711 -8.761 1.00 0.00 H new ATOM 0 HH TYR A 153 3.529 -3.574 -7.381 1.00 0.00 H new ATOM 1386 N ILE A 154 6.852 3.486 -4.276 1.00 0.00 N ATOM 1387 CA ILE A 154 7.930 4.342 -3.798 1.00 0.00 C ATOM 1388 C ILE A 154 9.000 4.528 -4.869 1.00 0.00 C ATOM 1389 O ILE A 154 9.384 3.590 -5.567 1.00 0.00 O ATOM 1390 CB ILE A 154 8.585 3.767 -2.529 1.00 0.00 C ATOM 1391 CG1 ILE A 154 7.545 3.613 -1.417 1.00 0.00 C ATOM 1392 CG2 ILE A 154 9.728 4.661 -2.072 1.00 0.00 C ATOM 1393 CD1 ILE A 154 8.064 2.875 -0.203 1.00 0.00 C ATOM 0 H ILE A 154 6.620 2.713 -3.653 1.00 0.00 H new ATOM 0 HA ILE A 154 7.484 5.308 -3.561 1.00 0.00 H new ATOM 0 HB ILE A 154 8.990 2.782 -2.761 1.00 0.00 H new ATOM 0 HG12 ILE A 154 7.202 4.602 -1.112 1.00 0.00 H new ATOM 0 HG13 ILE A 154 6.678 3.083 -1.812 1.00 0.00 H new ATOM 0 HG21 ILE A 154 10.181 4.242 -1.174 1.00 0.00 H new ATOM 0 HG22 ILE A 154 10.478 4.725 -2.861 1.00 0.00 H new ATOM 0 HG23 ILE A 154 9.345 5.658 -1.854 1.00 0.00 H new ATOM 0 HD11 ILE A 154 7.274 2.803 0.544 1.00 0.00 H new ATOM 0 HD12 ILE A 154 8.381 1.873 -0.494 1.00 0.00 H new ATOM 0 HD13 ILE A 154 8.912 3.416 0.217 1.00 0.00 H new