USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 737 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 19 ASN : amide:sc= 0.422 X(o=0.42,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0566 USER MOD Single : A 24 LYS NZ :NH3+ -163:sc= 0.338 (180deg=0.227) USER MOD Single : A 36 THR OG1 : rot -114:sc= 0.0502 USER MOD Single : A 41 GLN : amide:sc= -0.0752 X(o=-0.075,f=-0.031) USER MOD Single : A 47 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00156) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0151 USER MOD Single : A 52 GLN : amide:sc= 0.091 X(o=0.091,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -126:sc= -0.694 (180deg=-2.86!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc=-0.000736 X(o=-0.00074,f=-0.027) USER MOD Single : A 73 ASN : amide:sc= -0.0222 K(o=-0.022,f=-1.1) USER MOD Single : A 78 HIS : no HD1:sc= -0.699 K(o=-0.7,f=-6.1!) USER MOD Single : A 80 TYR OH : rot -5:sc= -0.685 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc=-0.00782 X(o=-0.0078,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 180:sc= -0.786 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N PHE A 8 -9.859 10.970 -5.034 1.00 0.00 N ATOM 118 CA PHE A 8 -9.232 11.049 -3.710 1.00 0.00 C ATOM 119 C PHE A 8 -7.965 10.196 -3.607 1.00 0.00 C ATOM 120 O PHE A 8 -7.251 10.261 -2.606 1.00 0.00 O ATOM 121 CB PHE A 8 -10.228 10.620 -2.629 1.00 0.00 C ATOM 122 CG PHE A 8 -11.327 11.617 -2.393 1.00 0.00 C ATOM 123 CD1 PHE A 8 -12.494 11.566 -3.136 1.00 0.00 C ATOM 124 CD2 PHE A 8 -11.192 12.606 -1.431 1.00 0.00 C ATOM 125 CE1 PHE A 8 -13.508 12.480 -2.927 1.00 0.00 C ATOM 126 CE2 PHE A 8 -12.203 13.524 -1.216 1.00 0.00 C ATOM 127 CZ PHE A 8 -13.362 13.462 -1.966 1.00 0.00 C ATOM 0 HA PHE A 8 -8.940 12.088 -3.559 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -10.670 9.665 -2.913 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -9.690 10.457 -1.695 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -12.613 10.801 -3.889 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -10.287 12.660 -0.843 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -14.413 12.427 -3.514 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -12.087 14.289 -0.463 1.00 0.00 H new ATOM 0 HZ PHE A 8 -14.152 14.180 -1.801 1.00 0.00 H new ATOM 137 N LEU A 9 -7.683 9.407 -4.639 1.00 0.00 N ATOM 138 CA LEU A 9 -6.499 8.543 -4.639 1.00 0.00 C ATOM 139 C LEU A 9 -5.198 9.298 -4.977 1.00 0.00 C ATOM 140 O LEU A 9 -4.190 9.102 -4.296 1.00 0.00 O ATOM 141 CB LEU A 9 -6.684 7.364 -5.599 1.00 0.00 C ATOM 142 CG LEU A 9 -6.002 6.060 -5.167 1.00 0.00 C ATOM 143 CD1 LEU A 9 -6.890 5.277 -4.211 1.00 0.00 C ATOM 144 CD2 LEU A 9 -5.650 5.210 -6.378 1.00 0.00 C ATOM 0 H LEU A 9 -8.252 9.345 -5.483 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.397 8.170 -3.620 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.751 7.176 -5.717 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.300 7.649 -6.578 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.080 6.318 -4.647 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.386 4.356 -3.918 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.090 5.879 -3.325 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.831 5.034 -4.705 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.167 4.290 -6.049 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.559 4.966 -6.928 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.971 5.764 -7.026 1.00 0.00 H new ATOM 156 N PRO A 10 -5.173 10.159 -6.028 1.00 0.00 N ATOM 157 CA PRO A 10 -3.959 10.902 -6.406 1.00 0.00 C ATOM 158 C PRO A 10 -3.593 12.011 -5.414 1.00 0.00 C ATOM 159 O PRO A 10 -2.517 12.601 -5.509 1.00 0.00 O ATOM 160 CB PRO A 10 -4.306 11.512 -7.777 1.00 0.00 C ATOM 161 CG PRO A 10 -5.585 10.872 -8.198 1.00 0.00 C ATOM 162 CD PRO A 10 -6.285 10.471 -6.936 1.00 0.00 C ATOM 0 HA PRO A 10 -3.091 10.243 -6.421 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -4.416 12.594 -7.706 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -3.515 11.318 -8.502 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -6.195 11.565 -8.778 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -5.397 10.005 -8.831 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.910 11.275 -6.548 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -6.934 9.609 -7.091 1.00 0.00 H new ATOM 170 N GLU A 11 -4.484 12.285 -4.461 1.00 0.00 N ATOM 171 CA GLU A 11 -4.246 13.325 -3.464 1.00 0.00 C ATOM 172 C GLU A 11 -3.445 12.790 -2.274 1.00 0.00 C ATOM 173 O GLU A 11 -2.536 13.455 -1.777 1.00 0.00 O ATOM 174 CB GLU A 11 -5.579 13.902 -2.984 1.00 0.00 C ATOM 175 CG GLU A 11 -6.258 14.801 -4.006 1.00 0.00 C ATOM 176 CD GLU A 11 -7.548 15.397 -3.482 1.00 0.00 C ATOM 177 OE1 GLU A 11 -8.589 14.713 -3.554 1.00 0.00 O ATOM 178 OE2 GLU A 11 -7.516 16.547 -2.995 1.00 0.00 O ATOM 0 H GLU A 11 -5.376 11.801 -4.360 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.658 14.113 -3.934 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.251 13.081 -2.732 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.411 14.469 -2.069 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.578 15.605 -4.288 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.466 14.228 -4.909 1.00 0.00 H new ATOM 185 N ILE A 12 -3.786 11.581 -1.831 1.00 0.00 N ATOM 186 CA ILE A 12 -3.107 10.946 -0.700 1.00 0.00 C ATOM 187 C ILE A 12 -1.725 10.425 -1.091 1.00 0.00 C ATOM 188 O ILE A 12 -0.825 10.345 -0.255 1.00 0.00 O ATOM 189 CB ILE A 12 -3.939 9.786 -0.098 1.00 0.00 C ATOM 190 CG1 ILE A 12 -4.518 8.888 -1.196 1.00 0.00 C ATOM 191 CG2 ILE A 12 -5.058 10.335 0.771 1.00 0.00 C ATOM 192 CD1 ILE A 12 -3.750 7.599 -1.397 1.00 0.00 C ATOM 0 H ILE A 12 -4.532 11.018 -2.240 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.993 11.722 0.057 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.273 9.181 0.517 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.553 8.649 -0.950 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.533 9.441 -2.135 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -5.634 9.509 1.187 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.632 10.925 1.582 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.711 10.965 0.168 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.219 7.016 -2.190 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.721 7.828 -1.675 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.756 7.024 -0.471 1.00 0.00 H new ATOM 204 N LEU A 13 -1.586 10.050 -2.366 1.00 0.00 N ATOM 205 CA LEU A 13 -0.337 9.508 -2.908 1.00 0.00 C ATOM 206 C LEU A 13 0.883 10.386 -2.594 1.00 0.00 C ATOM 207 O LEU A 13 1.963 9.870 -2.327 1.00 0.00 O ATOM 208 CB LEU A 13 -0.469 9.327 -4.421 1.00 0.00 C ATOM 209 CG LEU A 13 -0.409 7.877 -4.909 1.00 0.00 C ATOM 210 CD1 LEU A 13 -1.167 7.720 -6.218 1.00 0.00 C ATOM 211 CD2 LEU A 13 1.034 7.426 -5.070 1.00 0.00 C ATOM 0 H LEU A 13 -2.338 10.114 -3.052 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.169 8.546 -2.423 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.415 9.763 -4.742 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.325 9.892 -4.910 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.885 7.244 -4.160 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.112 6.683 -6.548 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.210 7.999 -6.070 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.722 8.366 -6.976 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.056 6.393 -5.417 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.536 8.064 -5.797 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.547 7.497 -4.111 1.00 0.00 H new ATOM 223 N ALA A 14 0.705 11.704 -2.622 1.00 0.00 N ATOM 224 CA ALA A 14 1.801 12.637 -2.345 1.00 0.00 C ATOM 225 C ALA A 14 2.296 12.520 -0.903 1.00 0.00 C ATOM 226 O ALA A 14 3.503 12.532 -0.650 1.00 0.00 O ATOM 227 CB ALA A 14 1.356 14.063 -2.637 1.00 0.00 C ATOM 0 H ALA A 14 -0.186 12.153 -2.833 1.00 0.00 H new ATOM 0 HA ALA A 14 2.634 12.377 -2.999 1.00 0.00 H new ATOM 0 HB1 ALA A 14 2.176 14.750 -2.429 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.070 14.147 -3.685 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.503 14.314 -2.006 1.00 0.00 H new ATOM 233 N GLU A 15 1.360 12.401 0.036 1.00 0.00 N ATOM 234 CA GLU A 15 1.689 12.297 1.459 1.00 0.00 C ATOM 235 C GLU A 15 2.239 10.919 1.851 1.00 0.00 C ATOM 236 O GLU A 15 2.780 10.763 2.946 1.00 0.00 O ATOM 237 CB GLU A 15 0.455 12.599 2.310 1.00 0.00 C ATOM 238 CG GLU A 15 0.073 14.069 2.352 1.00 0.00 C ATOM 239 CD GLU A 15 -1.149 14.320 3.214 1.00 0.00 C ATOM 240 OE1 GLU A 15 -0.983 14.534 4.434 1.00 0.00 O ATOM 241 OE2 GLU A 15 -2.272 14.292 2.671 1.00 0.00 O ATOM 0 H GLU A 15 0.360 12.374 -0.164 1.00 0.00 H new ATOM 0 HA GLU A 15 2.474 13.030 1.645 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.388 12.027 1.923 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.635 12.253 3.328 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.912 14.650 2.736 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.121 14.421 1.339 1.00 0.00 H new ATOM 248 N ILE A 16 2.110 9.920 0.978 1.00 0.00 N ATOM 249 CA ILE A 16 2.592 8.576 1.306 1.00 0.00 C ATOM 250 C ILE A 16 4.012 8.313 0.793 1.00 0.00 C ATOM 251 O ILE A 16 4.757 7.565 1.415 1.00 0.00 O ATOM 252 CB ILE A 16 1.634 7.466 0.793 1.00 0.00 C ATOM 253 CG1 ILE A 16 1.953 6.134 1.479 1.00 0.00 C ATOM 254 CG2 ILE A 16 1.721 7.311 -0.717 1.00 0.00 C ATOM 255 CD1 ILE A 16 0.739 5.263 1.720 1.00 0.00 C ATOM 0 H ILE A 16 1.685 10.011 0.055 1.00 0.00 H new ATOM 0 HA ILE A 16 2.615 8.538 2.395 1.00 0.00 H new ATOM 0 HB ILE A 16 0.615 7.763 1.041 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.668 5.583 0.867 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.439 6.335 2.434 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.038 6.526 -1.042 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.448 8.251 -1.196 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.740 7.044 -0.997 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.046 4.338 2.209 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.032 5.793 2.358 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.264 5.029 0.767 1.00 0.00 H new ATOM 267 N ILE A 17 4.400 8.932 -0.321 1.00 0.00 N ATOM 268 CA ILE A 17 5.740 8.716 -0.874 1.00 0.00 C ATOM 269 C ILE A 17 6.829 9.263 0.053 1.00 0.00 C ATOM 270 O ILE A 17 7.919 8.696 0.144 1.00 0.00 O ATOM 271 CB ILE A 17 5.897 9.353 -2.275 1.00 0.00 C ATOM 272 CG1 ILE A 17 4.782 8.877 -3.207 1.00 0.00 C ATOM 273 CG2 ILE A 17 7.257 9.008 -2.872 1.00 0.00 C ATOM 274 CD1 ILE A 17 4.496 9.826 -4.353 1.00 0.00 C ATOM 0 H ILE A 17 3.817 9.578 -0.853 1.00 0.00 H new ATOM 0 HA ILE A 17 5.860 7.636 -0.965 1.00 0.00 H new ATOM 0 HB ILE A 17 5.827 10.435 -2.166 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.052 7.902 -3.613 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.870 8.738 -2.626 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.348 9.465 -3.857 1.00 0.00 H new ATOM 0 HG22 ILE A 17 8.046 9.386 -2.222 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.350 7.926 -2.964 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.694 9.420 -4.970 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.194 10.795 -3.956 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.394 9.946 -4.959 1.00 0.00 H new ATOM 286 N ALA A 18 6.520 10.343 0.763 1.00 0.00 N ATOM 287 CA ALA A 18 7.480 10.969 1.664 1.00 0.00 C ATOM 288 C ALA A 18 7.413 10.397 3.082 1.00 0.00 C ATOM 289 O ALA A 18 8.287 10.673 3.903 1.00 0.00 O ATOM 290 CB ALA A 18 7.248 12.472 1.697 1.00 0.00 C ATOM 0 H ALA A 18 5.610 10.803 0.731 1.00 0.00 H new ATOM 0 HA ALA A 18 8.477 10.753 1.279 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.967 12.936 2.371 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.373 12.882 0.695 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.237 12.676 2.049 1.00 0.00 H new ATOM 296 N ASN A 19 6.376 9.611 3.374 1.00 0.00 N ATOM 297 CA ASN A 19 6.212 9.032 4.710 1.00 0.00 C ATOM 298 C ASN A 19 6.193 7.503 4.685 1.00 0.00 C ATOM 299 O ASN A 19 5.653 6.872 5.592 1.00 0.00 O ATOM 300 CB ASN A 19 4.925 9.556 5.349 1.00 0.00 C ATOM 301 CG ASN A 19 5.047 11.001 5.795 1.00 0.00 C ATOM 302 OD1 ASN A 19 5.498 11.284 6.905 1.00 0.00 O ATOM 303 ND2 ASN A 19 4.646 11.924 4.930 1.00 0.00 N ATOM 0 H ASN A 19 5.642 9.362 2.711 1.00 0.00 H new ATOM 0 HA ASN A 19 7.074 9.337 5.303 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.106 9.467 4.635 1.00 0.00 H new ATOM 0 HB3 ASN A 19 4.669 8.934 6.207 1.00 0.00 H new ATOM 0 HD21 ASN A 19 4.705 12.912 5.175 1.00 0.00 H new ATOM 0 HD22 ASN A 19 4.278 11.645 4.020 1.00 0.00 H new ATOM 310 N LEU A 20 6.774 6.908 3.650 1.00 0.00 N ATOM 311 CA LEU A 20 6.801 5.449 3.534 1.00 0.00 C ATOM 312 C LEU A 20 8.212 4.919 3.305 1.00 0.00 C ATOM 313 O LEU A 20 9.036 5.564 2.659 1.00 0.00 O ATOM 314 CB LEU A 20 5.902 4.987 2.388 1.00 0.00 C ATOM 315 CG LEU A 20 5.467 3.523 2.448 1.00 0.00 C ATOM 316 CD1 LEU A 20 4.172 3.385 3.229 1.00 0.00 C ATOM 317 CD2 LEU A 20 5.305 2.963 1.043 1.00 0.00 C ATOM 0 H LEU A 20 7.230 7.404 2.884 1.00 0.00 H new ATOM 0 HA LEU A 20 6.434 5.050 4.479 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.010 5.613 2.373 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.426 5.155 1.447 1.00 0.00 H new ATOM 0 HG LEU A 20 6.240 2.952 2.962 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.877 2.336 3.262 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.319 3.753 4.245 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.390 3.967 2.742 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.995 1.920 1.101 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.549 3.537 0.507 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.255 3.030 0.513 1.00 0.00 H new ATOM 329 N ASP A 21 8.470 3.729 3.840 1.00 0.00 N ATOM 330 CA ASP A 21 9.765 3.074 3.690 1.00 0.00 C ATOM 331 C ASP A 21 9.571 1.656 3.155 1.00 0.00 C ATOM 332 O ASP A 21 9.153 0.764 3.892 1.00 0.00 O ATOM 333 CB ASP A 21 10.512 3.038 5.027 1.00 0.00 C ATOM 334 CG ASP A 21 11.197 4.354 5.341 1.00 0.00 C ATOM 335 OD1 ASP A 21 10.503 5.297 5.781 1.00 0.00 O ATOM 336 OD2 ASP A 21 12.426 4.442 5.144 1.00 0.00 O ATOM 0 H ASP A 21 7.793 3.195 4.385 1.00 0.00 H new ATOM 0 HA ASP A 21 10.363 3.645 2.980 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.811 2.797 5.826 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.255 2.241 5.004 1.00 0.00 H new ATOM 341 N PRO A 22 9.878 1.438 1.859 1.00 0.00 N ATOM 342 CA PRO A 22 9.723 0.129 1.190 1.00 0.00 C ATOM 343 C PRO A 22 10.519 -1.010 1.835 1.00 0.00 C ATOM 344 O PRO A 22 10.217 -2.178 1.609 1.00 0.00 O ATOM 345 CB PRO A 22 10.252 0.388 -0.227 1.00 0.00 C ATOM 346 CG PRO A 22 10.156 1.860 -0.417 1.00 0.00 C ATOM 347 CD PRO A 22 10.394 2.464 0.934 1.00 0.00 C ATOM 0 HA PRO A 22 8.686 -0.203 1.243 1.00 0.00 H new ATOM 0 HB2 PRO A 22 11.281 0.044 -0.332 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.660 -0.144 -0.972 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.895 2.210 -1.137 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.176 2.141 -0.804 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.452 2.664 1.105 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.868 3.411 1.050 1.00 0.00 H new ATOM 355 N THR A 23 11.530 -0.671 2.626 1.00 0.00 N ATOM 356 CA THR A 23 12.372 -1.675 3.274 1.00 0.00 C ATOM 357 C THR A 23 11.690 -2.340 4.472 1.00 0.00 C ATOM 358 O THR A 23 11.662 -3.566 4.577 1.00 0.00 O ATOM 359 CB THR A 23 13.695 -1.045 3.751 1.00 0.00 C ATOM 360 OG1 THR A 23 13.446 0.257 4.300 1.00 0.00 O ATOM 361 CG2 THR A 23 14.684 -0.934 2.602 1.00 0.00 C ATOM 0 H THR A 23 11.789 0.293 2.836 1.00 0.00 H new ATOM 0 HA THR A 23 12.561 -2.441 2.522 1.00 0.00 H new ATOM 0 HB THR A 23 14.124 -1.688 4.519 1.00 0.00 H new ATOM 0 HG1 THR A 23 14.291 0.651 4.603 1.00 0.00 H new ATOM 0 HG21 THR A 23 15.611 -0.487 2.961 1.00 0.00 H new ATOM 0 HG22 THR A 23 14.891 -1.927 2.203 1.00 0.00 H new ATOM 0 HG23 THR A 23 14.260 -0.309 1.816 1.00 0.00 H new ATOM 369 N LYS A 24 11.134 -1.524 5.362 1.00 0.00 N ATOM 370 CA LYS A 24 10.492 -2.022 6.577 1.00 0.00 C ATOM 371 C LYS A 24 9.147 -2.711 6.323 1.00 0.00 C ATOM 372 O LYS A 24 8.759 -3.602 7.079 1.00 0.00 O ATOM 373 CB LYS A 24 10.300 -0.874 7.570 1.00 0.00 C ATOM 374 CG LYS A 24 10.414 -1.304 9.024 1.00 0.00 C ATOM 375 CD LYS A 24 10.184 -0.140 9.974 1.00 0.00 C ATOM 376 CE LYS A 24 10.111 -0.613 11.416 1.00 0.00 C ATOM 377 NZ LYS A 24 9.886 0.514 12.364 1.00 0.00 N ATOM 0 H LYS A 24 11.115 -0.509 5.265 1.00 0.00 H new ATOM 0 HA LYS A 24 11.159 -2.780 6.988 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.043 -0.102 7.368 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.320 -0.424 7.408 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.687 -2.090 9.229 1.00 0.00 H new ATOM 0 HG3 LYS A 24 11.402 -1.729 9.201 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.991 0.585 9.867 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.259 0.371 9.709 1.00 0.00 H new ATOM 0 HE2 LYS A 24 9.305 -1.339 11.519 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.037 -1.126 11.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 10.126 0.209 13.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.488 1.319 12.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.887 0.802 12.330 1.00 0.00 H new ATOM 391 N ILE A 25 8.437 -2.313 5.273 1.00 0.00 N ATOM 392 CA ILE A 25 7.127 -2.905 4.990 1.00 0.00 C ATOM 393 C ILE A 25 7.214 -4.161 4.118 1.00 0.00 C ATOM 394 O ILE A 25 6.413 -5.080 4.278 1.00 0.00 O ATOM 395 CB ILE A 25 6.169 -1.894 4.320 1.00 0.00 C ATOM 396 CG1 ILE A 25 6.849 -1.206 3.138 1.00 0.00 C ATOM 397 CG2 ILE A 25 5.685 -0.863 5.330 1.00 0.00 C ATOM 398 CD1 ILE A 25 5.890 -0.821 2.036 1.00 0.00 C ATOM 0 H ILE A 25 8.736 -1.596 4.612 1.00 0.00 H new ATOM 0 HA ILE A 25 6.729 -3.191 5.964 1.00 0.00 H new ATOM 0 HB ILE A 25 5.304 -2.442 3.946 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.361 -0.312 3.493 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.612 -1.869 2.731 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.012 -0.160 4.839 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.156 -1.367 6.139 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.540 -0.323 5.736 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.439 -0.337 1.228 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.396 -1.715 1.655 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.142 -0.133 2.429 1.00 0.00 H new ATOM 410 N LEU A 26 8.187 -4.208 3.210 1.00 0.00 N ATOM 411 CA LEU A 26 8.337 -5.354 2.308 1.00 0.00 C ATOM 412 C LEU A 26 8.766 -6.619 3.047 1.00 0.00 C ATOM 413 O LEU A 26 8.367 -7.723 2.677 1.00 0.00 O ATOM 414 CB LEU A 26 9.352 -5.042 1.208 1.00 0.00 C ATOM 415 CG LEU A 26 9.177 -5.849 -0.077 1.00 0.00 C ATOM 416 CD1 LEU A 26 8.147 -5.190 -0.976 1.00 0.00 C ATOM 417 CD2 LEU A 26 10.507 -5.993 -0.802 1.00 0.00 C ATOM 0 H LEU A 26 8.881 -3.472 3.078 1.00 0.00 H new ATOM 0 HA LEU A 26 7.357 -5.537 1.866 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.288 -3.981 0.965 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.354 -5.220 1.598 1.00 0.00 H new ATOM 0 HG LEU A 26 8.821 -6.846 0.184 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.032 -5.776 -1.888 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.191 -5.137 -0.456 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.477 -4.183 -1.231 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.363 -6.571 -1.715 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.893 -5.005 -1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.220 -6.506 -0.156 1.00 0.00 H new ATOM 429 N GLU A 27 9.568 -6.445 4.093 1.00 0.00 N ATOM 430 CA GLU A 27 10.080 -7.567 4.877 1.00 0.00 C ATOM 431 C GLU A 27 8.974 -8.317 5.624 1.00 0.00 C ATOM 432 O GLU A 27 9.062 -9.530 5.812 1.00 0.00 O ATOM 433 CB GLU A 27 11.127 -7.064 5.872 1.00 0.00 C ATOM 434 CG GLU A 27 12.457 -6.705 5.227 1.00 0.00 C ATOM 435 CD GLU A 27 13.311 -7.919 4.920 1.00 0.00 C ATOM 436 OE1 GLU A 27 13.172 -8.479 3.812 1.00 0.00 O ATOM 437 OE2 GLU A 27 14.118 -8.311 5.789 1.00 0.00 O ATOM 0 H GLU A 27 9.880 -5.531 4.420 1.00 0.00 H new ATOM 0 HA GLU A 27 10.531 -8.271 4.178 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.734 -6.188 6.388 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.295 -7.830 6.629 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.271 -6.155 4.304 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.008 -6.038 5.890 1.00 0.00 H new ATOM 444 N GLU A 28 7.931 -7.598 6.033 1.00 0.00 N ATOM 445 CA GLU A 28 6.828 -8.203 6.781 1.00 0.00 C ATOM 446 C GLU A 28 5.910 -9.038 5.890 1.00 0.00 C ATOM 447 O GLU A 28 5.325 -10.024 6.342 1.00 0.00 O ATOM 448 CB GLU A 28 6.015 -7.116 7.488 1.00 0.00 C ATOM 449 CG GLU A 28 6.751 -6.456 8.641 1.00 0.00 C ATOM 450 CD GLU A 28 6.845 -7.342 9.870 1.00 0.00 C ATOM 451 OE1 GLU A 28 7.619 -8.323 9.841 1.00 0.00 O ATOM 452 OE2 GLU A 28 6.145 -7.052 10.863 1.00 0.00 O ATOM 0 H GLU A 28 7.825 -6.598 5.860 1.00 0.00 H new ATOM 0 HA GLU A 28 7.269 -8.875 7.517 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.737 -6.352 6.762 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.089 -7.553 7.862 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.756 -6.187 8.316 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.243 -5.529 8.906 1.00 0.00 H new ATOM 459 N LEU A 29 5.788 -8.646 4.626 1.00 0.00 N ATOM 460 CA LEU A 29 4.926 -9.354 3.684 1.00 0.00 C ATOM 461 C LEU A 29 5.599 -10.614 3.138 1.00 0.00 C ATOM 462 O LEU A 29 4.932 -11.605 2.835 1.00 0.00 O ATOM 463 CB LEU A 29 4.533 -8.423 2.534 1.00 0.00 C ATOM 464 CG LEU A 29 3.262 -7.600 2.771 1.00 0.00 C ATOM 465 CD1 LEU A 29 3.561 -6.383 3.630 1.00 0.00 C ATOM 466 CD2 LEU A 29 2.646 -7.173 1.448 1.00 0.00 C ATOM 0 H LEU A 29 6.275 -7.842 4.230 1.00 0.00 H new ATOM 0 HA LEU A 29 4.030 -9.666 4.220 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.360 -7.739 2.342 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.398 -9.021 1.633 1.00 0.00 H new ATOM 0 HG LEU A 29 2.546 -8.228 3.301 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.645 -5.813 3.785 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.956 -6.706 4.593 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.298 -5.756 3.128 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.745 -6.590 1.638 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.361 -6.566 0.893 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.390 -8.057 0.864 1.00 0.00 H new ATOM 478 N LEU A 30 6.922 -10.565 3.006 1.00 0.00 N ATOM 479 CA LEU A 30 7.695 -11.694 2.494 1.00 0.00 C ATOM 480 C LEU A 30 7.830 -12.816 3.525 1.00 0.00 C ATOM 481 O LEU A 30 7.913 -13.992 3.166 1.00 0.00 O ATOM 482 CB LEU A 30 9.080 -11.223 2.055 1.00 0.00 C ATOM 483 CG LEU A 30 9.107 -10.446 0.741 1.00 0.00 C ATOM 484 CD1 LEU A 30 10.344 -9.568 0.662 1.00 0.00 C ATOM 485 CD2 LEU A 30 9.051 -11.400 -0.442 1.00 0.00 C ATOM 0 H LEU A 30 7.485 -9.750 3.248 1.00 0.00 H new ATOM 0 HA LEU A 30 7.154 -12.098 1.638 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.500 -10.595 2.841 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.730 -12.092 1.960 1.00 0.00 H new ATOM 0 HG LEU A 30 8.229 -9.801 0.705 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.344 -9.023 -0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.341 -8.859 1.490 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.237 -10.191 0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.071 -10.830 -1.371 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.910 -12.071 -0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.132 -11.984 -0.395 1.00 0.00 H new ATOM 497 N ARG A 31 7.851 -12.442 4.803 1.00 0.00 N ATOM 498 CA ARG A 31 8.007 -13.409 5.891 1.00 0.00 C ATOM 499 C ARG A 31 6.739 -14.231 6.129 1.00 0.00 C ATOM 500 O ARG A 31 6.782 -15.261 6.804 1.00 0.00 O ATOM 501 CB ARG A 31 8.404 -12.684 7.176 1.00 0.00 C ATOM 502 CG ARG A 31 9.872 -12.289 7.216 1.00 0.00 C ATOM 503 CD ARG A 31 10.230 -11.594 8.518 1.00 0.00 C ATOM 504 NE ARG A 31 10.404 -12.543 9.613 1.00 0.00 N ATOM 505 CZ ARG A 31 10.809 -12.201 10.832 1.00 0.00 C ATOM 506 NH1 ARG A 31 11.081 -10.934 11.116 1.00 0.00 N ATOM 507 NH2 ARG A 31 10.943 -13.130 11.769 1.00 0.00 N ATOM 0 H ARG A 31 7.762 -11.474 5.112 1.00 0.00 H new ATOM 0 HA ARG A 31 8.793 -14.104 5.596 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.791 -11.789 7.284 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.184 -13.326 8.029 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.492 -13.178 7.095 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.094 -11.629 6.378 1.00 0.00 H new ATOM 0 HD2 ARG A 31 11.149 -11.023 8.384 1.00 0.00 H new ATOM 0 HD3 ARG A 31 9.446 -10.882 8.776 1.00 0.00 H new ATOM 0 HE ARG A 31 10.203 -13.527 9.432 1.00 0.00 H new ATOM 0 HH11 ARG A 31 10.980 -10.217 10.397 1.00 0.00 H new ATOM 0 HH12 ARG A 31 11.391 -10.677 12.053 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.735 -14.105 11.554 1.00 0.00 H new ATOM 0 HH22 ARG A 31 11.254 -12.869 12.705 1.00 0.00 H new ATOM 521 N ARG A 32 5.616 -13.782 5.578 1.00 0.00 N ATOM 522 CA ARG A 32 4.354 -14.497 5.746 1.00 0.00 C ATOM 523 C ARG A 32 3.956 -15.227 4.466 1.00 0.00 C ATOM 524 O ARG A 32 3.045 -16.055 4.473 1.00 0.00 O ATOM 525 CB ARG A 32 3.240 -13.537 6.182 1.00 0.00 C ATOM 526 CG ARG A 32 3.090 -12.309 5.299 1.00 0.00 C ATOM 527 CD ARG A 32 1.999 -11.382 5.815 1.00 0.00 C ATOM 528 NE ARG A 32 0.667 -11.946 5.612 1.00 0.00 N ATOM 529 CZ ARG A 32 -0.272 -12.019 6.555 1.00 0.00 C ATOM 530 NH1 ARG A 32 -0.037 -11.566 7.781 1.00 0.00 N ATOM 531 NH2 ARG A 32 -1.450 -12.556 6.268 1.00 0.00 N ATOM 0 H ARG A 32 5.553 -12.933 5.016 1.00 0.00 H new ATOM 0 HA ARG A 32 4.498 -15.242 6.529 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.294 -14.079 6.194 1.00 0.00 H new ATOM 0 HB3 ARG A 32 3.435 -13.213 7.204 1.00 0.00 H new ATOM 0 HG2 ARG A 32 4.037 -11.771 5.258 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.855 -12.618 4.281 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.155 -11.192 6.877 1.00 0.00 H new ATOM 0 HD3 ARG A 32 2.068 -10.421 5.306 1.00 0.00 H new ATOM 0 HE ARG A 32 0.440 -12.308 4.686 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.869 -11.157 8.009 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.763 -11.627 8.495 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -1.634 -12.911 5.329 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -2.172 -12.614 6.986 1.00 0.00 H new ATOM 545 N GLY A 33 4.648 -14.917 3.373 1.00 0.00 N ATOM 546 CA GLY A 33 4.359 -15.556 2.103 1.00 0.00 C ATOM 547 C GLY A 33 3.223 -14.887 1.346 1.00 0.00 C ATOM 548 O GLY A 33 2.669 -15.473 0.417 1.00 0.00 O ATOM 0 H GLY A 33 5.405 -14.234 3.345 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.256 -15.545 1.485 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.105 -16.602 2.278 1.00 0.00 H new ATOM 552 N LEU A 34 2.868 -13.663 1.748 1.00 0.00 N ATOM 553 CA LEU A 34 1.793 -12.920 1.085 1.00 0.00 C ATOM 554 C LEU A 34 2.290 -12.252 -0.193 1.00 0.00 C ATOM 555 O LEU A 34 1.496 -11.785 -1.009 1.00 0.00 O ATOM 556 CB LEU A 34 1.213 -11.852 2.023 1.00 0.00 C ATOM 557 CG LEU A 34 -0.133 -11.258 1.587 1.00 0.00 C ATOM 558 CD1 LEU A 34 -1.056 -11.090 2.780 1.00 0.00 C ATOM 559 CD2 LEU A 34 0.069 -9.922 0.880 1.00 0.00 C ATOM 0 H LEU A 34 3.307 -13.168 2.525 1.00 0.00 H new ATOM 0 HA LEU A 34 1.013 -13.637 0.827 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.095 -12.289 3.015 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.936 -11.042 2.116 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.597 -11.951 0.886 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.005 -10.668 2.449 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.233 -12.061 3.243 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.594 -10.421 3.506 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.898 -9.519 0.580 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.559 -9.222 1.557 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.691 -10.068 -0.003 1.00 0.00 H new ATOM 571 N LEU A 35 3.597 -12.248 -0.394 1.00 0.00 N ATOM 572 CA LEU A 35 4.168 -11.597 -1.562 1.00 0.00 C ATOM 573 C LEU A 35 4.725 -12.620 -2.549 1.00 0.00 C ATOM 574 O LEU A 35 5.404 -13.571 -2.158 1.00 0.00 O ATOM 575 CB LEU A 35 5.279 -10.639 -1.132 1.00 0.00 C ATOM 576 CG LEU A 35 5.319 -9.307 -1.881 1.00 0.00 C ATOM 577 CD1 LEU A 35 6.014 -8.246 -1.044 1.00 0.00 C ATOM 578 CD2 LEU A 35 6.024 -9.471 -3.218 1.00 0.00 C ATOM 0 H LEU A 35 4.277 -12.683 0.229 1.00 0.00 H new ATOM 0 HA LEU A 35 3.374 -11.039 -2.059 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.168 -10.435 -0.067 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.238 -11.139 -1.263 1.00 0.00 H new ATOM 0 HG LEU A 35 4.294 -8.985 -2.066 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.033 -7.304 -1.593 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.473 -8.109 -0.108 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.035 -8.562 -0.830 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.044 -8.514 -3.739 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.045 -9.815 -3.051 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.489 -10.202 -3.824 1.00 0.00 H new ATOM 590 N THR A 36 4.430 -12.421 -3.836 1.00 0.00 N ATOM 591 CA THR A 36 4.907 -13.324 -4.877 1.00 0.00 C ATOM 592 C THR A 36 6.109 -12.737 -5.612 1.00 0.00 C ATOM 593 O THR A 36 6.253 -11.520 -5.712 1.00 0.00 O ATOM 594 CB THR A 36 3.799 -13.645 -5.903 1.00 0.00 C ATOM 595 OG1 THR A 36 3.222 -12.432 -6.396 1.00 0.00 O ATOM 596 CG2 THR A 36 2.718 -14.514 -5.276 1.00 0.00 C ATOM 0 H THR A 36 3.865 -11.644 -4.178 1.00 0.00 H new ATOM 0 HA THR A 36 5.205 -14.245 -4.377 1.00 0.00 H new ATOM 0 HB THR A 36 4.247 -14.194 -6.731 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.288 -12.372 -6.105 1.00 0.00 H new ATOM 0 HG21 THR A 36 1.948 -14.728 -6.017 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.158 -15.449 -4.930 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.273 -13.988 -4.431 1.00 0.00 H new ATOM 604 N PRO A 37 6.990 -13.607 -6.134 1.00 0.00 N ATOM 605 CA PRO A 37 8.193 -13.183 -6.869 1.00 0.00 C ATOM 606 C PRO A 37 7.871 -12.450 -8.173 1.00 0.00 C ATOM 607 O PRO A 37 8.679 -11.660 -8.654 1.00 0.00 O ATOM 608 CB PRO A 37 8.922 -14.501 -7.157 1.00 0.00 C ATOM 609 CG PRO A 37 7.870 -15.553 -7.067 1.00 0.00 C ATOM 610 CD PRO A 37 6.894 -15.073 -6.035 1.00 0.00 C ATOM 0 HA PRO A 37 8.782 -12.470 -6.292 1.00 0.00 H new ATOM 0 HB2 PRO A 37 9.384 -14.489 -8.144 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.719 -14.677 -6.434 1.00 0.00 H new ATOM 0 HG2 PRO A 37 7.380 -15.698 -8.030 1.00 0.00 H new ATOM 0 HG3 PRO A 37 8.301 -16.512 -6.780 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.883 -15.425 -6.243 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.156 -15.427 -5.038 1.00 0.00 H new ATOM 618 N ALA A 38 6.690 -12.713 -8.735 1.00 0.00 N ATOM 619 CA ALA A 38 6.262 -12.070 -9.976 1.00 0.00 C ATOM 620 C ALA A 38 5.930 -10.599 -9.738 1.00 0.00 C ATOM 621 O ALA A 38 6.298 -9.734 -10.533 1.00 0.00 O ATOM 622 CB ALA A 38 5.057 -12.799 -10.551 1.00 0.00 C ATOM 0 H ALA A 38 6.012 -13.369 -8.348 1.00 0.00 H new ATOM 0 HA ALA A 38 7.082 -12.121 -10.693 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.745 -12.313 -11.475 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.323 -13.835 -10.758 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.238 -12.771 -9.832 1.00 0.00 H new ATOM 628 N GLU A 39 5.238 -10.332 -8.633 1.00 0.00 N ATOM 629 CA GLU A 39 4.857 -8.972 -8.265 1.00 0.00 C ATOM 630 C GLU A 39 6.078 -8.183 -7.799 1.00 0.00 C ATOM 631 O GLU A 39 6.221 -6.992 -8.095 1.00 0.00 O ATOM 632 CB GLU A 39 3.807 -9.013 -7.150 1.00 0.00 C ATOM 633 CG GLU A 39 2.413 -9.376 -7.636 1.00 0.00 C ATOM 634 CD GLU A 39 1.456 -9.659 -6.493 1.00 0.00 C ATOM 635 OE1 GLU A 39 1.384 -8.830 -5.560 1.00 0.00 O ATOM 636 OE2 GLU A 39 0.783 -10.711 -6.528 1.00 0.00 O ATOM 0 H GLU A 39 4.928 -11.046 -7.973 1.00 0.00 H new ATOM 0 HA GLU A 39 4.436 -8.477 -9.140 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.119 -9.736 -6.396 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.770 -8.039 -6.662 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.019 -8.560 -8.242 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.473 -10.253 -8.281 1.00 0.00 H new ATOM 643 N LEU A 40 6.961 -8.871 -7.077 1.00 0.00 N ATOM 644 CA LEU A 40 8.176 -8.264 -6.548 1.00 0.00 C ATOM 645 C LEU A 40 9.148 -7.884 -7.655 1.00 0.00 C ATOM 646 O LEU A 40 9.616 -6.753 -7.698 1.00 0.00 O ATOM 647 CB LEU A 40 8.859 -9.215 -5.568 1.00 0.00 C ATOM 648 CG LEU A 40 9.830 -8.543 -4.589 1.00 0.00 C ATOM 649 CD1 LEU A 40 9.714 -9.150 -3.202 1.00 0.00 C ATOM 650 CD2 LEU A 40 11.263 -8.650 -5.092 1.00 0.00 C ATOM 0 H LEU A 40 6.853 -9.858 -6.845 1.00 0.00 H new ATOM 0 HA LEU A 40 7.884 -7.351 -6.029 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.092 -9.737 -4.996 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.402 -9.970 -6.136 1.00 0.00 H new ATOM 0 HG LEU A 40 9.561 -7.489 -4.525 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.413 -8.655 -2.528 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.698 -9.018 -2.831 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.947 -10.214 -3.250 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.935 -8.167 -4.382 1.00 0.00 H new ATOM 0 HD22 LEU A 40 11.536 -9.701 -5.192 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.346 -8.159 -6.062 1.00 0.00 H new ATOM 662 N GLN A 41 9.446 -8.836 -8.540 1.00 0.00 N ATOM 663 CA GLN A 41 10.371 -8.617 -9.642 1.00 0.00 C ATOM 664 C GLN A 41 9.989 -7.412 -10.493 1.00 0.00 C ATOM 665 O GLN A 41 10.850 -6.786 -11.105 1.00 0.00 O ATOM 666 CB GLN A 41 10.414 -9.865 -10.517 1.00 0.00 C ATOM 667 CG GLN A 41 11.786 -10.168 -11.077 1.00 0.00 C ATOM 668 CD GLN A 41 12.746 -10.701 -10.029 1.00 0.00 C ATOM 669 OE1 GLN A 41 12.742 -11.893 -9.722 1.00 0.00 O ATOM 670 NE2 GLN A 41 13.579 -9.825 -9.466 1.00 0.00 N ATOM 0 H GLN A 41 9.052 -9.776 -8.510 1.00 0.00 H new ATOM 0 HA GLN A 41 11.352 -8.413 -9.213 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.073 -10.720 -9.933 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.713 -9.743 -11.343 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.692 -10.898 -11.881 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.202 -9.261 -11.516 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.553 -8.844 -9.746 1.00 0.00 H new ATOM 0 HE22 GLN A 41 14.242 -10.135 -8.755 1.00 0.00 H new ATOM 679 N GLU A 42 8.703 -7.092 -10.526 1.00 0.00 N ATOM 680 CA GLU A 42 8.218 -5.972 -11.320 1.00 0.00 C ATOM 681 C GLU A 42 8.541 -4.625 -10.666 1.00 0.00 C ATOM 682 O GLU A 42 9.212 -3.767 -11.262 1.00 0.00 O ATOM 683 CB GLU A 42 6.711 -6.109 -11.511 1.00 0.00 C ATOM 684 CG GLU A 42 6.314 -6.976 -12.695 1.00 0.00 C ATOM 685 CD GLU A 42 4.810 -7.071 -12.859 1.00 0.00 C ATOM 686 OE1 GLU A 42 4.203 -7.980 -12.255 1.00 0.00 O ATOM 687 OE2 GLU A 42 4.240 -6.233 -13.587 1.00 0.00 O ATOM 0 H GLU A 42 7.977 -7.592 -10.012 1.00 0.00 H new ATOM 0 HA GLU A 42 8.724 -5.995 -12.285 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.277 -6.530 -10.604 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.280 -5.116 -11.640 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.751 -6.566 -13.605 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.727 -7.976 -12.565 1.00 0.00 H new ATOM 694 N VAL A 43 8.088 -4.450 -9.423 1.00 0.00 N ATOM 695 CA VAL A 43 8.318 -3.202 -8.702 1.00 0.00 C ATOM 696 C VAL A 43 9.787 -3.055 -8.295 1.00 0.00 C ATOM 697 O VAL A 43 10.292 -1.944 -8.164 1.00 0.00 O ATOM 698 CB VAL A 43 7.388 -3.068 -7.466 1.00 0.00 C ATOM 699 CG1 VAL A 43 7.581 -4.219 -6.494 1.00 0.00 C ATOM 700 CG2 VAL A 43 7.598 -1.732 -6.763 1.00 0.00 C ATOM 0 H VAL A 43 7.564 -5.152 -8.900 1.00 0.00 H new ATOM 0 HA VAL A 43 8.073 -2.390 -9.387 1.00 0.00 H new ATOM 0 HB VAL A 43 6.361 -3.107 -7.829 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.914 -4.091 -5.642 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.354 -5.160 -6.995 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.614 -4.233 -6.147 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.934 -1.666 -5.901 1.00 0.00 H new ATOM 0 HG22 VAL A 43 8.633 -1.655 -6.430 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.378 -0.919 -7.454 1.00 0.00 H new ATOM 710 N LEU A 44 10.481 -4.175 -8.125 1.00 0.00 N ATOM 711 CA LEU A 44 11.892 -4.141 -7.754 1.00 0.00 C ATOM 712 C LEU A 44 12.757 -3.844 -8.973 1.00 0.00 C ATOM 713 O LEU A 44 13.922 -3.461 -8.844 1.00 0.00 O ATOM 714 CB LEU A 44 12.316 -5.464 -7.120 1.00 0.00 C ATOM 715 CG LEU A 44 13.636 -5.415 -6.351 1.00 0.00 C ATOM 716 CD1 LEU A 44 13.398 -4.992 -4.912 1.00 0.00 C ATOM 717 CD2 LEU A 44 14.334 -6.764 -6.408 1.00 0.00 C ATOM 0 H LEU A 44 10.093 -5.112 -8.237 1.00 0.00 H new ATOM 0 HA LEU A 44 12.031 -3.345 -7.022 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.529 -5.794 -6.442 1.00 0.00 H new ATOM 0 HB3 LEU A 44 12.397 -6.217 -7.904 1.00 0.00 H new ATOM 0 HG LEU A 44 14.284 -4.675 -6.821 1.00 0.00 H new ATOM 0 HD11 LEU A 44 14.349 -4.963 -4.379 1.00 0.00 H new ATOM 0 HD12 LEU A 44 12.941 -4.002 -4.894 1.00 0.00 H new ATOM 0 HD13 LEU A 44 12.733 -5.707 -4.428 1.00 0.00 H new ATOM 0 HD21 LEU A 44 15.272 -6.712 -5.856 1.00 0.00 H new ATOM 0 HD22 LEU A 44 13.693 -7.525 -5.963 1.00 0.00 H new ATOM 0 HD23 LEU A 44 14.538 -7.024 -7.447 1.00 0.00 H new ATOM 729 N ASP A 45 12.175 -4.019 -10.158 1.00 0.00 N ATOM 730 CA ASP A 45 12.877 -3.763 -11.404 1.00 0.00 C ATOM 731 C ASP A 45 12.966 -2.268 -11.664 1.00 0.00 C ATOM 732 O ASP A 45 14.025 -1.757 -12.031 1.00 0.00 O ATOM 733 CB ASP A 45 12.166 -4.448 -12.573 1.00 0.00 C ATOM 734 CG ASP A 45 13.115 -4.805 -13.701 1.00 0.00 C ATOM 735 OD1 ASP A 45 13.725 -5.893 -13.641 1.00 0.00 O ATOM 736 OD2 ASP A 45 13.245 -3.998 -14.646 1.00 0.00 O ATOM 0 H ASP A 45 11.214 -4.339 -10.276 1.00 0.00 H new ATOM 0 HA ASP A 45 13.884 -4.170 -11.316 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.675 -5.353 -12.215 1.00 0.00 H new ATOM 0 HB3 ASP A 45 11.384 -3.791 -12.954 1.00 0.00 H new ATOM 741 N LEU A 46 11.853 -1.561 -11.459 1.00 0.00 N ATOM 742 CA LEU A 46 11.833 -0.115 -11.688 1.00 0.00 C ATOM 743 C LEU A 46 12.652 0.627 -10.640 1.00 0.00 C ATOM 744 O LEU A 46 12.776 0.184 -9.497 1.00 0.00 O ATOM 745 CB LEU A 46 10.408 0.445 -11.694 1.00 0.00 C ATOM 746 CG LEU A 46 9.472 -0.119 -10.627 1.00 0.00 C ATOM 747 CD1 LEU A 46 9.426 0.804 -9.421 1.00 0.00 C ATOM 748 CD2 LEU A 46 8.079 -0.316 -11.192 1.00 0.00 C ATOM 0 H LEU A 46 10.969 -1.957 -11.141 1.00 0.00 H new ATOM 0 HA LEU A 46 12.277 0.042 -12.671 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.461 1.527 -11.570 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.968 0.258 -12.673 1.00 0.00 H new ATOM 0 HG LEU A 46 9.857 -1.088 -10.309 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.755 0.388 -8.670 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.426 0.902 -8.999 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.064 1.785 -9.727 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.426 -0.718 -10.418 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.687 0.641 -11.536 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.121 -1.013 -12.029 1.00 0.00 H new ATOM 760 N LYS A 47 13.204 1.762 -11.043 1.00 0.00 N ATOM 761 CA LYS A 47 14.000 2.587 -10.148 1.00 0.00 C ATOM 762 C LYS A 47 13.275 3.893 -9.853 1.00 0.00 C ATOM 763 O LYS A 47 13.834 4.799 -9.235 1.00 0.00 O ATOM 764 CB LYS A 47 15.367 2.877 -10.765 1.00 0.00 C ATOM 765 CG LYS A 47 16.311 1.689 -10.721 1.00 0.00 C ATOM 766 CD LYS A 47 17.645 2.006 -11.373 1.00 0.00 C ATOM 767 CE LYS A 47 18.583 0.812 -11.312 1.00 0.00 C ATOM 768 NZ LYS A 47 18.196 -0.247 -12.285 1.00 0.00 N ATOM 0 H LYS A 47 13.114 2.133 -11.989 1.00 0.00 H new ATOM 0 HA LYS A 47 14.145 2.044 -9.214 1.00 0.00 H new ATOM 0 HB2 LYS A 47 15.232 3.186 -11.801 1.00 0.00 H new ATOM 0 HB3 LYS A 47 15.824 3.715 -10.239 1.00 0.00 H new ATOM 0 HG2 LYS A 47 16.474 1.392 -9.685 1.00 0.00 H new ATOM 0 HG3 LYS A 47 15.851 0.840 -11.227 1.00 0.00 H new ATOM 0 HD2 LYS A 47 17.486 2.294 -12.412 1.00 0.00 H new ATOM 0 HD3 LYS A 47 18.104 2.859 -10.873 1.00 0.00 H new ATOM 0 HE2 LYS A 47 19.602 1.140 -11.518 1.00 0.00 H new ATOM 0 HE3 LYS A 47 18.579 0.398 -10.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 18.870 -1.037 -12.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 17.240 -0.590 -12.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 18.208 0.145 -13.248 1.00 0.00 H new ATOM 782 N THR A 48 12.025 3.983 -10.297 1.00 0.00 N ATOM 783 CA THR A 48 11.227 5.186 -10.090 1.00 0.00 C ATOM 784 C THR A 48 10.491 5.145 -8.749 1.00 0.00 C ATOM 785 O THR A 48 9.746 4.209 -8.472 1.00 0.00 O ATOM 786 CB THR A 48 10.214 5.376 -11.234 1.00 0.00 C ATOM 787 OG1 THR A 48 9.654 4.110 -11.604 1.00 0.00 O ATOM 788 CG2 THR A 48 10.889 5.999 -12.445 1.00 0.00 C ATOM 0 H THR A 48 11.544 3.238 -10.802 1.00 0.00 H new ATOM 0 HA THR A 48 11.914 6.032 -10.080 1.00 0.00 H new ATOM 0 HB THR A 48 9.423 6.040 -10.887 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.009 4.237 -12.331 1.00 0.00 H new ATOM 0 HG21 THR A 48 10.158 6.126 -13.244 1.00 0.00 H new ATOM 0 HG22 THR A 48 11.301 6.971 -12.172 1.00 0.00 H new ATOM 0 HG23 THR A 48 11.693 5.348 -12.789 1.00 0.00 H new ATOM 796 N PRO A 49 10.694 6.176 -7.909 1.00 0.00 N ATOM 797 CA PRO A 49 10.072 6.266 -6.576 1.00 0.00 C ATOM 798 C PRO A 49 8.551 6.412 -6.628 1.00 0.00 C ATOM 799 O PRO A 49 7.842 5.877 -5.775 1.00 0.00 O ATOM 800 CB PRO A 49 10.709 7.520 -5.969 1.00 0.00 C ATOM 801 CG PRO A 49 11.162 8.327 -7.136 1.00 0.00 C ATOM 802 CD PRO A 49 11.547 7.341 -8.200 1.00 0.00 C ATOM 0 HA PRO A 49 10.239 5.357 -5.998 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.992 8.072 -5.362 1.00 0.00 H new ATOM 0 HB3 PRO A 49 11.545 7.263 -5.319 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.368 8.987 -7.485 1.00 0.00 H new ATOM 0 HG3 PRO A 49 12.007 8.960 -6.867 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.362 7.735 -9.199 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.606 7.087 -8.149 1.00 0.00 H new ATOM 810 N GLU A 50 8.060 7.139 -7.629 1.00 0.00 N ATOM 811 CA GLU A 50 6.626 7.352 -7.796 1.00 0.00 C ATOM 812 C GLU A 50 5.914 6.042 -8.120 1.00 0.00 C ATOM 813 O GLU A 50 4.828 5.773 -7.610 1.00 0.00 O ATOM 814 CB GLU A 50 6.370 8.370 -8.907 1.00 0.00 C ATOM 815 CG GLU A 50 6.659 9.807 -8.503 1.00 0.00 C ATOM 816 CD GLU A 50 6.371 10.787 -9.623 1.00 0.00 C ATOM 817 OE1 GLU A 50 5.217 11.254 -9.720 1.00 0.00 O ATOM 818 OE2 GLU A 50 7.300 11.085 -10.403 1.00 0.00 O ATOM 0 H GLU A 50 8.637 7.591 -8.338 1.00 0.00 H new ATOM 0 HA GLU A 50 6.229 7.737 -6.857 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.985 8.114 -9.770 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.330 8.294 -9.224 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.056 10.066 -7.632 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.704 9.896 -8.205 1.00 0.00 H new ATOM 825 N GLU A 51 6.546 5.223 -8.962 1.00 0.00 N ATOM 826 CA GLU A 51 5.979 3.940 -9.361 1.00 0.00 C ATOM 827 C GLU A 51 6.028 2.931 -8.214 1.00 0.00 C ATOM 828 O GLU A 51 5.162 2.068 -8.115 1.00 0.00 O ATOM 829 CB GLU A 51 6.715 3.380 -10.579 1.00 0.00 C ATOM 830 CG GLU A 51 5.823 2.591 -11.525 1.00 0.00 C ATOM 831 CD GLU A 51 6.317 2.628 -12.959 1.00 0.00 C ATOM 832 OE1 GLU A 51 6.536 3.739 -13.483 1.00 0.00 O ATOM 833 OE2 GLU A 51 6.484 1.543 -13.556 1.00 0.00 O ATOM 0 H GLU A 51 7.453 5.429 -9.380 1.00 0.00 H new ATOM 0 HA GLU A 51 4.935 4.110 -9.624 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.171 4.204 -11.127 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.526 2.737 -10.238 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.770 1.555 -11.189 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.810 2.992 -11.483 1.00 0.00 H new ATOM 840 N GLN A 52 7.054 3.040 -7.363 1.00 0.00 N ATOM 841 CA GLN A 52 7.211 2.137 -6.219 1.00 0.00 C ATOM 842 C GLN A 52 6.001 2.219 -5.294 1.00 0.00 C ATOM 843 O GLN A 52 5.382 1.202 -4.971 1.00 0.00 O ATOM 844 CB GLN A 52 8.480 2.478 -5.428 1.00 0.00 C ATOM 845 CG GLN A 52 9.767 2.196 -6.187 1.00 0.00 C ATOM 846 CD GLN A 52 10.624 1.136 -5.530 1.00 0.00 C ATOM 847 OE1 GLN A 52 11.225 1.365 -4.482 1.00 0.00 O ATOM 848 NE2 GLN A 52 10.687 -0.036 -6.150 1.00 0.00 N ATOM 0 H GLN A 52 7.787 3.744 -7.445 1.00 0.00 H new ATOM 0 HA GLN A 52 7.294 1.122 -6.608 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.454 3.533 -5.153 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.483 1.907 -4.500 1.00 0.00 H new ATOM 0 HG2 GLN A 52 9.522 1.879 -7.201 1.00 0.00 H new ATOM 0 HG3 GLN A 52 10.342 3.118 -6.271 1.00 0.00 H new ATOM 0 HE21 GLN A 52 10.172 -0.182 -7.018 1.00 0.00 H new ATOM 0 HE22 GLN A 52 11.251 -0.790 -5.758 1.00 0.00 H new ATOM 857 N ALA A 53 5.668 3.441 -4.885 1.00 0.00 N ATOM 858 CA ALA A 53 4.537 3.680 -3.997 1.00 0.00 C ATOM 859 C ALA A 53 3.213 3.323 -4.666 1.00 0.00 C ATOM 860 O ALA A 53 2.313 2.797 -4.015 1.00 0.00 O ATOM 861 CB ALA A 53 4.528 5.132 -3.541 1.00 0.00 C ATOM 0 H ALA A 53 6.171 4.286 -5.158 1.00 0.00 H new ATOM 0 HA ALA A 53 4.651 3.033 -3.127 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.679 5.300 -2.878 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.453 5.352 -3.009 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.445 5.786 -4.409 1.00 0.00 H new ATOM 867 N LYS A 54 3.112 3.597 -5.970 1.00 0.00 N ATOM 868 CA LYS A 54 1.898 3.311 -6.737 1.00 0.00 C ATOM 869 C LYS A 54 1.686 1.811 -6.923 1.00 0.00 C ATOM 870 O LYS A 54 0.550 1.346 -7.004 1.00 0.00 O ATOM 871 CB LYS A 54 1.965 3.993 -8.105 1.00 0.00 C ATOM 872 CG LYS A 54 1.658 5.479 -8.055 1.00 0.00 C ATOM 873 CD LYS A 54 1.838 6.137 -9.415 1.00 0.00 C ATOM 874 CE LYS A 54 1.659 7.645 -9.333 1.00 0.00 C ATOM 875 NZ LYS A 54 1.850 8.302 -10.657 1.00 0.00 N ATOM 0 H LYS A 54 3.862 4.019 -6.518 1.00 0.00 H new ATOM 0 HA LYS A 54 1.054 3.704 -6.171 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.960 3.849 -8.526 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.260 3.507 -8.780 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.634 5.628 -7.711 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.311 5.961 -7.328 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.831 5.908 -9.803 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.117 5.722 -10.119 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.662 7.872 -8.956 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.371 8.056 -8.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.719 9.329 -10.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.810 8.107 -11.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.154 7.929 -11.333 1.00 0.00 H new ATOM 889 N LYS A 55 2.782 1.062 -6.998 1.00 0.00 N ATOM 890 CA LYS A 55 2.712 -0.385 -7.166 1.00 0.00 C ATOM 891 C LYS A 55 2.129 -1.036 -5.925 1.00 0.00 C ATOM 892 O LYS A 55 1.308 -1.941 -6.021 1.00 0.00 O ATOM 893 CB LYS A 55 4.099 -0.964 -7.455 1.00 0.00 C ATOM 894 CG LYS A 55 4.482 -0.919 -8.926 1.00 0.00 C ATOM 895 CD LYS A 55 3.881 -2.084 -9.699 1.00 0.00 C ATOM 896 CE LYS A 55 4.228 -2.005 -11.177 1.00 0.00 C ATOM 897 NZ LYS A 55 5.615 -2.476 -11.447 1.00 0.00 N ATOM 0 H LYS A 55 3.730 1.434 -6.945 1.00 0.00 H new ATOM 0 HA LYS A 55 2.062 -0.596 -8.015 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.841 -0.413 -6.878 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.131 -1.998 -7.111 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.143 0.021 -9.362 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.568 -0.941 -9.020 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.248 -3.024 -9.287 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.798 -2.084 -9.577 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.522 -2.608 -11.748 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.120 -0.976 -11.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.136 -1.742 -11.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.098 -2.669 -10.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.582 -3.346 -12.015 1.00 0.00 H new ATOM 911 N LEU A 56 2.545 -0.551 -4.762 1.00 0.00 N ATOM 912 CA LEU A 56 2.073 -1.094 -3.497 1.00 0.00 C ATOM 913 C LEU A 56 0.581 -0.873 -3.300 1.00 0.00 C ATOM 914 O LEU A 56 -0.138 -1.812 -2.970 1.00 0.00 O ATOM 915 CB LEU A 56 2.837 -0.477 -2.340 1.00 0.00 C ATOM 916 CG LEU A 56 2.858 -1.318 -1.063 1.00 0.00 C ATOM 917 CD1 LEU A 56 4.061 -2.249 -1.055 1.00 0.00 C ATOM 918 CD2 LEU A 56 2.866 -0.420 0.164 1.00 0.00 C ATOM 0 H LEU A 56 3.209 0.218 -4.670 1.00 0.00 H new ATOM 0 HA LEU A 56 2.251 -2.169 -3.523 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.864 -0.297 -2.656 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.399 0.495 -2.111 1.00 0.00 H new ATOM 0 HG LEU A 56 1.955 -1.928 -1.037 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.058 -2.839 -0.138 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.011 -2.916 -1.916 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.977 -1.660 -1.105 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.881 -1.034 1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.751 0.216 0.144 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.972 0.203 0.165 1.00 0.00 H new ATOM 930 N ILE A 57 0.116 0.363 -3.495 1.00 0.00 N ATOM 931 CA ILE A 57 -1.305 0.665 -3.334 1.00 0.00 C ATOM 932 C ILE A 57 -2.133 -0.116 -4.335 1.00 0.00 C ATOM 933 O ILE A 57 -3.283 -0.459 -4.073 1.00 0.00 O ATOM 934 CB ILE A 57 -1.635 2.161 -3.506 1.00 0.00 C ATOM 935 CG1 ILE A 57 -0.642 2.856 -4.430 1.00 0.00 C ATOM 936 CG2 ILE A 57 -1.677 2.844 -2.156 1.00 0.00 C ATOM 937 CD1 ILE A 57 -1.267 3.956 -5.260 1.00 0.00 C ATOM 0 H ILE A 57 0.695 1.160 -3.761 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.551 0.377 -2.312 1.00 0.00 H new ATOM 0 HB ILE A 57 -2.618 2.235 -3.972 1.00 0.00 H new ATOM 0 HG12 ILE A 57 0.167 3.276 -3.833 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.196 2.117 -5.095 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.911 3.900 -2.290 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.443 2.378 -1.536 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -0.707 2.746 -1.668 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.506 4.409 -5.895 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.057 3.537 -5.883 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.688 4.715 -4.601 1.00 0.00 H new ATOM 949 N ASP A 58 -1.528 -0.404 -5.478 1.00 0.00 N ATOM 950 CA ASP A 58 -2.201 -1.138 -6.527 1.00 0.00 C ATOM 951 C ASP A 58 -2.231 -2.632 -6.223 1.00 0.00 C ATOM 952 O ASP A 58 -3.044 -3.363 -6.782 1.00 0.00 O ATOM 953 CB ASP A 58 -1.512 -0.897 -7.873 1.00 0.00 C ATOM 954 CG ASP A 58 -2.306 0.024 -8.777 1.00 0.00 C ATOM 955 OD1 ASP A 58 -2.125 1.256 -8.675 1.00 0.00 O ATOM 956 OD2 ASP A 58 -3.108 -0.485 -9.587 1.00 0.00 O ATOM 0 H ASP A 58 -0.568 -0.137 -5.698 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.228 -0.777 -6.579 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.525 -0.468 -7.700 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.361 -1.852 -8.376 1.00 0.00 H new ATOM 961 N PHE A 59 -1.353 -3.089 -5.333 1.00 0.00 N ATOM 962 CA PHE A 59 -1.303 -4.510 -4.996 1.00 0.00 C ATOM 963 C PHE A 59 -2.162 -4.849 -3.779 1.00 0.00 C ATOM 964 O PHE A 59 -2.595 -5.990 -3.625 1.00 0.00 O ATOM 965 CB PHE A 59 0.145 -4.957 -4.767 1.00 0.00 C ATOM 966 CG PHE A 59 0.897 -5.203 -6.046 1.00 0.00 C ATOM 967 CD1 PHE A 59 0.294 -5.870 -7.101 1.00 0.00 C ATOM 968 CD2 PHE A 59 2.199 -4.752 -6.200 1.00 0.00 C ATOM 969 CE1 PHE A 59 0.974 -6.082 -8.284 1.00 0.00 C ATOM 970 CE2 PHE A 59 2.885 -4.965 -7.381 1.00 0.00 C ATOM 971 CZ PHE A 59 2.271 -5.629 -8.424 1.00 0.00 C ATOM 0 H PHE A 59 -0.676 -2.507 -4.839 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.716 -5.055 -5.845 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.666 -4.196 -4.187 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.147 -5.869 -4.170 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.720 -6.228 -6.997 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.682 -4.229 -5.388 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.492 -6.602 -9.099 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.900 -4.612 -7.488 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.804 -5.794 -9.348 1.00 0.00 H new ATOM 981 N ILE A 60 -2.420 -3.865 -2.921 1.00 0.00 N ATOM 982 CA ILE A 60 -3.223 -4.097 -1.720 1.00 0.00 C ATOM 983 C ILE A 60 -4.689 -3.699 -1.911 1.00 0.00 C ATOM 984 O ILE A 60 -5.573 -4.228 -1.236 1.00 0.00 O ATOM 985 CB ILE A 60 -2.650 -3.346 -0.494 1.00 0.00 C ATOM 986 CG1 ILE A 60 -2.374 -1.876 -0.829 1.00 0.00 C ATOM 987 CG2 ILE A 60 -1.376 -4.023 -0.009 1.00 0.00 C ATOM 988 CD1 ILE A 60 -3.432 -0.923 -0.316 1.00 0.00 C ATOM 0 H ILE A 60 -2.089 -2.907 -3.032 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.177 -5.171 -1.538 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.394 -3.379 0.302 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.409 -1.593 -0.409 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.295 -1.768 -1.911 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.984 -3.485 0.854 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.596 -5.052 0.275 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.634 -4.018 -0.808 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.167 0.098 -0.592 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.396 -1.179 -0.755 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.496 -1.000 0.769 1.00 0.00 H new ATOM 1000 N LEU A 61 -4.946 -2.775 -2.834 1.00 0.00 N ATOM 1001 CA LEU A 61 -6.309 -2.310 -3.090 1.00 0.00 C ATOM 1002 C LEU A 61 -7.055 -3.254 -4.030 1.00 0.00 C ATOM 1003 O LEU A 61 -8.265 -3.124 -4.220 1.00 0.00 O ATOM 1004 CB LEU A 61 -6.293 -0.900 -3.682 1.00 0.00 C ATOM 1005 CG LEU A 61 -7.542 -0.065 -3.394 1.00 0.00 C ATOM 1006 CD1 LEU A 61 -7.468 0.542 -2.002 1.00 0.00 C ATOM 1007 CD2 LEU A 61 -7.706 1.022 -4.443 1.00 0.00 C ATOM 0 H LEU A 61 -4.233 -2.335 -3.415 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.833 -2.294 -2.134 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.423 -0.370 -3.296 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.166 -0.977 -4.762 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.413 -0.719 -3.436 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.365 1.133 -1.814 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.396 -0.254 -1.261 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.590 1.184 -1.931 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.599 1.607 -4.224 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.833 1.674 -4.431 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.804 0.565 -5.428 1.00 0.00 H new ATOM 1019 N LYS A 62 -6.334 -4.208 -4.611 1.00 0.00 N ATOM 1020 CA LYS A 62 -6.935 -5.161 -5.538 1.00 0.00 C ATOM 1021 C LYS A 62 -7.234 -6.495 -4.867 1.00 0.00 C ATOM 1022 O LYS A 62 -7.855 -7.370 -5.468 1.00 0.00 O ATOM 1023 CB LYS A 62 -6.008 -5.386 -6.727 1.00 0.00 C ATOM 1024 CG LYS A 62 -6.028 -4.250 -7.731 1.00 0.00 C ATOM 1025 CD LYS A 62 -5.117 -4.544 -8.907 1.00 0.00 C ATOM 1026 CE LYS A 62 -5.010 -3.349 -9.836 1.00 0.00 C ATOM 1027 NZ LYS A 62 -4.056 -3.600 -10.951 1.00 0.00 N ATOM 0 H LYS A 62 -5.335 -4.342 -4.457 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.880 -4.736 -5.877 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -4.989 -5.521 -6.363 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.292 -6.310 -7.230 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.046 -4.093 -8.086 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.714 -3.326 -7.246 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.126 -4.814 -8.543 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.498 -5.403 -9.459 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.994 -3.117 -10.244 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.686 -2.476 -9.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.010 -2.761 -11.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.112 -3.797 -10.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.379 -4.418 -11.507 1.00 0.00 H new ATOM 1041 N LEU A 63 -6.795 -6.651 -3.624 1.00 0.00 N ATOM 1042 CA LEU A 63 -7.023 -7.891 -2.896 1.00 0.00 C ATOM 1043 C LEU A 63 -8.295 -7.814 -2.061 1.00 0.00 C ATOM 1044 O LEU A 63 -8.984 -6.792 -2.048 1.00 0.00 O ATOM 1045 CB LEU A 63 -5.824 -8.214 -2.007 1.00 0.00 C ATOM 1046 CG LEU A 63 -4.583 -8.710 -2.750 1.00 0.00 C ATOM 1047 CD1 LEU A 63 -3.346 -8.544 -1.884 1.00 0.00 C ATOM 1048 CD2 LEU A 63 -4.751 -10.164 -3.167 1.00 0.00 C ATOM 0 H LEU A 63 -6.283 -5.939 -3.103 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.147 -8.691 -3.626 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.558 -7.320 -1.443 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.122 -8.972 -1.282 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.459 -8.109 -3.651 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.471 -8.902 -2.427 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.214 -7.491 -1.636 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.464 -9.120 -0.966 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.857 -10.497 -3.694 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.901 -10.781 -2.281 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.615 -10.256 -3.825 1.00 0.00 H new ATOM 1060 N SER A 64 -8.598 -8.901 -1.362 1.00 0.00 N ATOM 1061 CA SER A 64 -9.791 -8.974 -0.531 1.00 0.00 C ATOM 1062 C SER A 64 -9.561 -8.301 0.828 1.00 0.00 C ATOM 1063 O SER A 64 -8.422 -8.026 1.205 1.00 0.00 O ATOM 1064 CB SER A 64 -10.202 -10.442 -0.349 1.00 0.00 C ATOM 1065 OG SER A 64 -9.154 -11.202 0.224 1.00 0.00 O ATOM 0 H SER A 64 -8.030 -9.748 -1.355 1.00 0.00 H new ATOM 0 HA SER A 64 -10.598 -8.437 -1.030 1.00 0.00 H new ATOM 0 HB2 SER A 64 -11.085 -10.498 0.287 1.00 0.00 H new ATOM 0 HB3 SER A 64 -10.477 -10.867 -1.314 1.00 0.00 H new ATOM 0 HG SER A 64 -9.444 -12.132 0.330 1.00 0.00 H new ATOM 1071 N PRO A 65 -10.651 -8.008 1.569 1.00 0.00 N ATOM 1072 CA PRO A 65 -10.583 -7.363 2.894 1.00 0.00 C ATOM 1073 C PRO A 65 -9.682 -8.093 3.902 1.00 0.00 C ATOM 1074 O PRO A 65 -9.158 -7.478 4.829 1.00 0.00 O ATOM 1075 CB PRO A 65 -12.036 -7.381 3.371 1.00 0.00 C ATOM 1076 CG PRO A 65 -12.848 -7.443 2.125 1.00 0.00 C ATOM 1077 CD PRO A 65 -12.048 -8.259 1.157 1.00 0.00 C ATOM 0 HA PRO A 65 -10.142 -6.369 2.819 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -12.231 -8.241 4.012 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.272 -6.490 3.952 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -13.819 -7.901 2.313 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -13.037 -6.444 1.732 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -12.301 -9.317 1.219 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -12.225 -7.948 0.127 1.00 0.00 H new ATOM 1085 N ALA A 66 -9.525 -9.406 3.733 1.00 0.00 N ATOM 1086 CA ALA A 66 -8.692 -10.205 4.632 1.00 0.00 C ATOM 1087 C ALA A 66 -7.204 -9.909 4.439 1.00 0.00 C ATOM 1088 O ALA A 66 -6.403 -10.086 5.357 1.00 0.00 O ATOM 1089 CB ALA A 66 -8.967 -11.685 4.411 1.00 0.00 C ATOM 0 H ALA A 66 -9.964 -9.939 2.982 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.950 -9.936 5.656 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.344 -12.275 5.083 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.018 -11.894 4.613 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.737 -11.948 3.378 1.00 0.00 H new ATOM 1095 N ASP A 67 -6.844 -9.453 3.241 1.00 0.00 N ATOM 1096 CA ASP A 67 -5.454 -9.135 2.914 1.00 0.00 C ATOM 1097 C ASP A 67 -5.001 -7.817 3.546 1.00 0.00 C ATOM 1098 O ASP A 67 -3.881 -7.719 4.049 1.00 0.00 O ATOM 1099 CB ASP A 67 -5.274 -9.073 1.397 1.00 0.00 C ATOM 1100 CG ASP A 67 -5.176 -10.453 0.774 1.00 0.00 C ATOM 1101 OD1 ASP A 67 -4.099 -11.076 0.877 1.00 0.00 O ATOM 1102 OD2 ASP A 67 -6.177 -10.909 0.183 1.00 0.00 O ATOM 0 H ASP A 67 -7.500 -9.294 2.476 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.832 -9.929 3.327 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.113 -8.536 0.955 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.373 -8.506 1.163 1.00 0.00 H new ATOM 1107 N VAL A 68 -5.877 -6.810 3.531 1.00 0.00 N ATOM 1108 CA VAL A 68 -5.545 -5.497 4.091 1.00 0.00 C ATOM 1109 C VAL A 68 -5.471 -5.530 5.618 1.00 0.00 C ATOM 1110 O VAL A 68 -4.719 -4.762 6.216 1.00 0.00 O ATOM 1111 CB VAL A 68 -6.534 -4.388 3.655 1.00 0.00 C ATOM 1112 CG1 VAL A 68 -6.269 -3.959 2.220 1.00 0.00 C ATOM 1113 CG2 VAL A 68 -7.979 -4.828 3.825 1.00 0.00 C ATOM 0 H VAL A 68 -6.817 -6.877 3.140 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.562 -5.255 3.688 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.371 -3.530 4.307 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.976 -3.179 1.937 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.252 -3.574 2.137 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.388 -4.815 1.556 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.644 -4.024 3.509 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.164 -5.713 3.216 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.167 -5.063 4.873 1.00 0.00 H new ATOM 1123 N GLN A 69 -6.270 -6.407 6.238 1.00 0.00 N ATOM 1124 CA GLN A 69 -6.303 -6.542 7.700 1.00 0.00 C ATOM 1125 C GLN A 69 -4.905 -6.756 8.280 1.00 0.00 C ATOM 1126 O GLN A 69 -4.567 -6.203 9.327 1.00 0.00 O ATOM 1127 CB GLN A 69 -7.208 -7.711 8.104 1.00 0.00 C ATOM 1128 CG GLN A 69 -7.867 -7.530 9.463 1.00 0.00 C ATOM 1129 CD GLN A 69 -9.056 -6.592 9.407 1.00 0.00 C ATOM 1130 OE1 GLN A 69 -8.914 -5.381 9.572 1.00 0.00 O ATOM 1131 NE2 GLN A 69 -10.236 -7.148 9.167 1.00 0.00 N ATOM 0 H GLN A 69 -6.905 -7.037 5.747 1.00 0.00 H new ATOM 0 HA GLN A 69 -6.701 -5.611 8.105 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -7.983 -7.838 7.348 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -6.619 -8.628 8.114 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -8.190 -8.501 9.839 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -7.134 -7.142 10.171 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -10.307 -8.157 9.036 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -11.072 -6.566 9.113 1.00 0.00 H new ATOM 1140 N ALA A 70 -4.099 -7.551 7.580 1.00 0.00 N ATOM 1141 CA ALA A 70 -2.736 -7.854 8.006 1.00 0.00 C ATOM 1142 C ALA A 70 -1.831 -6.626 7.910 1.00 0.00 C ATOM 1143 O ALA A 70 -0.931 -6.444 8.730 1.00 0.00 O ATOM 1144 CB ALA A 70 -2.180 -8.987 7.159 1.00 0.00 C ATOM 0 H ALA A 70 -4.371 -8.001 6.706 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.764 -8.159 9.052 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.162 -9.213 7.477 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.804 -9.873 7.281 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.175 -8.689 6.111 1.00 0.00 H new ATOM 1150 N ARG A 71 -2.090 -5.784 6.910 1.00 0.00 N ATOM 1151 CA ARG A 71 -1.306 -4.570 6.683 1.00 0.00 C ATOM 1152 C ARG A 71 -1.580 -3.520 7.753 1.00 0.00 C ATOM 1153 O ARG A 71 -0.673 -2.804 8.171 1.00 0.00 O ATOM 1154 CB ARG A 71 -1.629 -3.989 5.308 1.00 0.00 C ATOM 1155 CG ARG A 71 -1.050 -4.788 4.151 1.00 0.00 C ATOM 1156 CD ARG A 71 0.337 -4.292 3.775 1.00 0.00 C ATOM 1157 NE ARG A 71 0.304 -2.925 3.263 1.00 0.00 N ATOM 1158 CZ ARG A 71 1.237 -2.008 3.511 1.00 0.00 C ATOM 1159 NH1 ARG A 71 2.292 -2.300 4.265 1.00 0.00 N ATOM 1160 NH2 ARG A 71 1.107 -0.791 3.004 1.00 0.00 N ATOM 0 H ARG A 71 -2.845 -5.923 6.238 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.252 -4.842 6.732 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -2.711 -3.933 5.193 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -1.250 -2.968 5.257 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -1.000 -5.842 4.424 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.711 -4.713 3.288 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.988 -4.338 4.648 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.767 -4.952 3.022 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.486 -2.655 2.677 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.393 -3.235 4.660 1.00 0.00 H new ATOM 0 HH12 ARG A 71 3.000 -1.589 4.448 1.00 0.00 H new ATOM 0 HH21 ARG A 71 0.297 -0.562 2.428 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.817 -0.083 3.189 1.00 0.00 H new ATOM 1174 N ILE A 72 -2.837 -3.426 8.187 1.00 0.00 N ATOM 1175 CA ILE A 72 -3.223 -2.464 9.216 1.00 0.00 C ATOM 1176 C ILE A 72 -2.609 -2.849 10.563 1.00 0.00 C ATOM 1177 O ILE A 72 -2.286 -1.987 11.382 1.00 0.00 O ATOM 1178 CB ILE A 72 -4.764 -2.366 9.348 1.00 0.00 C ATOM 1179 CG1 ILE A 72 -5.384 -1.920 8.022 1.00 0.00 C ATOM 1180 CG2 ILE A 72 -5.164 -1.403 10.461 1.00 0.00 C ATOM 1181 CD1 ILE A 72 -6.665 -2.647 7.675 1.00 0.00 C ATOM 0 H ILE A 72 -3.603 -4.004 7.842 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.844 -1.487 8.915 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.141 -3.356 9.604 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.585 -0.850 8.067 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.660 -2.075 7.222 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.251 -1.356 10.528 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.756 -1.753 11.409 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.771 -0.410 10.242 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.046 -2.278 6.723 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.467 -3.716 7.597 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.406 -2.471 8.455 1.00 0.00 H new ATOM 1193 N ASN A 73 -2.429 -4.154 10.769 1.00 0.00 N ATOM 1194 CA ASN A 73 -1.852 -4.673 12.008 1.00 0.00 C ATOM 1195 C ASN A 73 -0.376 -4.303 12.139 1.00 0.00 C ATOM 1196 O ASN A 73 0.061 -3.845 13.195 1.00 0.00 O ATOM 1197 CB ASN A 73 -2.004 -6.194 12.071 1.00 0.00 C ATOM 1198 CG ASN A 73 -3.427 -6.632 12.361 1.00 0.00 C ATOM 1199 OD1 ASN A 73 -4.186 -5.925 13.025 1.00 0.00 O ATOM 1200 ND2 ASN A 73 -3.797 -7.805 11.863 1.00 0.00 N ATOM 0 H ASN A 73 -2.676 -4.874 10.090 1.00 0.00 H new ATOM 0 HA ASN A 73 -2.395 -4.217 12.836 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.682 -6.626 11.124 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.343 -6.589 12.843 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -4.742 -8.153 12.025 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -3.136 -8.359 11.318 1.00 0.00 H new ATOM 1207 N VAL A 74 0.390 -4.506 11.066 1.00 0.00 N ATOM 1208 CA VAL A 74 1.819 -4.194 11.085 1.00 0.00 C ATOM 1209 C VAL A 74 2.065 -2.689 11.024 1.00 0.00 C ATOM 1210 O VAL A 74 2.995 -2.187 11.645 1.00 0.00 O ATOM 1211 CB VAL A 74 2.598 -4.890 9.943 1.00 0.00 C ATOM 1212 CG1 VAL A 74 2.796 -6.368 10.248 1.00 0.00 C ATOM 1213 CG2 VAL A 74 1.899 -4.709 8.606 1.00 0.00 C ATOM 0 H VAL A 74 0.049 -4.881 10.181 1.00 0.00 H new ATOM 0 HA VAL A 74 2.193 -4.581 12.033 1.00 0.00 H new ATOM 0 HB VAL A 74 3.578 -4.417 9.874 1.00 0.00 H new ATOM 0 HG11 VAL A 74 3.346 -6.837 9.432 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.360 -6.476 11.175 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.825 -6.851 10.356 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.472 -5.210 7.825 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.900 -5.141 8.657 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.824 -3.646 8.376 1.00 0.00 H new ATOM 1223 N LEU A 75 1.224 -1.976 10.275 1.00 0.00 N ATOM 1224 CA LEU A 75 1.356 -0.527 10.120 1.00 0.00 C ATOM 1225 C LEU A 75 1.264 0.203 11.458 1.00 0.00 C ATOM 1226 O LEU A 75 2.019 1.140 11.709 1.00 0.00 O ATOM 1227 CB LEU A 75 0.281 -0.001 9.167 1.00 0.00 C ATOM 1228 CG LEU A 75 0.731 1.124 8.237 1.00 0.00 C ATOM 1229 CD1 LEU A 75 1.726 0.603 7.216 1.00 0.00 C ATOM 1230 CD2 LEU A 75 -0.463 1.754 7.542 1.00 0.00 C ATOM 0 H LEU A 75 0.440 -2.381 9.763 1.00 0.00 H new ATOM 0 HA LEU A 75 2.344 -0.332 9.704 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.081 -0.830 8.559 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.564 0.353 9.758 1.00 0.00 H new ATOM 0 HG LEU A 75 1.221 1.890 8.838 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.036 1.418 6.562 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.598 0.199 7.731 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.260 -0.183 6.621 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.121 2.553 6.884 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.983 0.997 6.954 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.143 2.164 8.288 1.00 0.00 H new ATOM 1242 N ARG A 76 0.354 -0.243 12.318 1.00 0.00 N ATOM 1243 CA ARG A 76 0.155 0.382 13.624 1.00 0.00 C ATOM 1244 C ARG A 76 1.336 0.134 14.567 1.00 0.00 C ATOM 1245 O ARG A 76 1.711 1.012 15.344 1.00 0.00 O ATOM 1246 CB ARG A 76 -1.136 -0.136 14.263 1.00 0.00 C ATOM 1247 CG ARG A 76 -2.399 0.340 13.557 1.00 0.00 C ATOM 1248 CD ARG A 76 -2.934 1.625 14.166 1.00 0.00 C ATOM 1249 NE ARG A 76 -4.173 2.063 13.521 1.00 0.00 N ATOM 1250 CZ ARG A 76 -4.951 3.034 13.997 1.00 0.00 C ATOM 1251 NH1 ARG A 76 -4.616 3.663 15.116 1.00 0.00 N ATOM 1252 NH2 ARG A 76 -6.060 3.380 13.353 1.00 0.00 N ATOM 0 H ARG A 76 -0.260 -1.037 12.135 1.00 0.00 H new ATOM 0 HA ARG A 76 0.081 1.457 13.462 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.119 -1.226 14.264 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.170 0.183 15.305 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.187 0.499 12.500 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.163 -0.436 13.615 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.113 1.475 15.231 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.182 2.409 14.077 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.457 1.598 12.658 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.763 3.403 15.611 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.211 4.407 15.481 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.319 2.902 12.490 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.653 4.124 13.721 1.00 0.00 H new ATOM 1266 N ALA A 77 1.927 -1.056 14.490 1.00 0.00 N ATOM 1267 CA ALA A 77 3.043 -1.413 15.363 1.00 0.00 C ATOM 1268 C ALA A 77 4.402 -0.977 14.809 1.00 0.00 C ATOM 1269 O ALA A 77 5.378 -0.894 15.555 1.00 0.00 O ATOM 1270 CB ALA A 77 3.039 -2.910 15.622 1.00 0.00 C ATOM 0 H ALA A 77 1.653 -1.788 13.834 1.00 0.00 H new ATOM 0 HA ALA A 77 2.899 -0.872 16.298 1.00 0.00 H new ATOM 0 HB1 ALA A 77 3.874 -3.169 16.273 1.00 0.00 H new ATOM 0 HB2 ALA A 77 2.102 -3.194 16.102 1.00 0.00 H new ATOM 0 HB3 ALA A 77 3.138 -3.443 14.676 1.00 0.00 H new ATOM 1276 N HIS A 78 4.467 -0.693 13.510 1.00 0.00 N ATOM 1277 CA HIS A 78 5.724 -0.287 12.880 1.00 0.00 C ATOM 1278 C HIS A 78 5.969 1.218 12.994 1.00 0.00 C ATOM 1279 O HIS A 78 7.033 1.709 12.614 1.00 0.00 O ATOM 1280 CB HIS A 78 5.751 -0.719 11.409 1.00 0.00 C ATOM 1281 CG HIS A 78 6.293 -2.103 11.215 1.00 0.00 C ATOM 1282 ND1 HIS A 78 7.448 -2.369 10.512 1.00 0.00 N ATOM 1283 CD2 HIS A 78 5.845 -3.303 11.660 1.00 0.00 C ATOM 1284 CE1 HIS A 78 7.688 -3.667 10.534 1.00 0.00 C ATOM 1285 NE2 HIS A 78 6.731 -4.255 11.223 1.00 0.00 N ATOM 0 H HIS A 78 3.670 -0.736 12.875 1.00 0.00 H new ATOM 0 HA HIS A 78 6.529 -0.789 13.417 1.00 0.00 H new ATOM 0 HB2 HIS A 78 4.741 -0.670 11.003 1.00 0.00 H new ATOM 0 HB3 HIS A 78 6.357 -0.014 10.840 1.00 0.00 H new ATOM 0 HD2 HIS A 78 4.956 -3.477 12.249 1.00 0.00 H new ATOM 0 HE1 HIS A 78 8.526 -4.163 10.067 1.00 0.00 H new ATOM 0 HE2 HIS A 78 6.660 -5.257 11.403 1.00 0.00 H new ATOM 1294 N GLY A 79 4.988 1.946 13.521 1.00 0.00 N ATOM 1295 CA GLY A 79 5.136 3.384 13.682 1.00 0.00 C ATOM 1296 C GLY A 79 4.384 4.182 12.634 1.00 0.00 C ATOM 1297 O GLY A 79 4.384 5.412 12.668 1.00 0.00 O ATOM 0 H GLY A 79 4.095 1.568 13.839 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.781 3.671 14.672 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.194 3.642 13.636 1.00 0.00 H new ATOM 1301 N TYR A 80 3.740 3.482 11.708 1.00 0.00 N ATOM 1302 CA TYR A 80 2.978 4.126 10.642 1.00 0.00 C ATOM 1303 C TYR A 80 1.490 4.163 11.000 1.00 0.00 C ATOM 1304 O TYR A 80 0.626 3.817 10.196 1.00 0.00 O ATOM 1305 CB TYR A 80 3.213 3.389 9.319 1.00 0.00 C ATOM 1306 CG TYR A 80 4.648 3.460 8.844 1.00 0.00 C ATOM 1307 CD1 TYR A 80 5.082 4.510 8.046 1.00 0.00 C ATOM 1308 CD2 TYR A 80 5.568 2.480 9.198 1.00 0.00 C ATOM 1309 CE1 TYR A 80 6.392 4.581 7.614 1.00 0.00 C ATOM 1310 CE2 TYR A 80 6.877 2.547 8.769 1.00 0.00 C ATOM 1311 CZ TYR A 80 7.283 3.597 7.978 1.00 0.00 C ATOM 1312 OH TYR A 80 8.586 3.662 7.551 1.00 0.00 O ATOM 0 H TYR A 80 3.730 2.463 11.673 1.00 0.00 H new ATOM 0 HA TYR A 80 3.318 5.155 10.527 1.00 0.00 H new ATOM 0 HB2 TYR A 80 2.927 2.344 9.437 1.00 0.00 H new ATOM 0 HB3 TYR A 80 2.562 3.813 8.554 1.00 0.00 H new ATOM 0 HD1 TYR A 80 4.385 5.283 7.759 1.00 0.00 H new ATOM 0 HD2 TYR A 80 5.253 1.654 9.818 1.00 0.00 H new ATOM 0 HE1 TYR A 80 6.715 5.404 6.994 1.00 0.00 H new ATOM 0 HE2 TYR A 80 7.581 1.778 9.053 1.00 0.00 H new ATOM 0 HH TYR A 80 8.692 4.419 6.937 1.00 0.00 H new ATOM 1322 N GLN A 81 1.223 4.596 12.229 1.00 0.00 N ATOM 1323 CA GLN A 81 -0.134 4.691 12.773 1.00 0.00 C ATOM 1324 C GLN A 81 -0.978 5.738 12.047 1.00 0.00 C ATOM 1325 O GLN A 81 -2.163 5.517 11.800 1.00 0.00 O ATOM 1326 CB GLN A 81 -0.075 5.029 14.264 1.00 0.00 C ATOM 1327 CG GLN A 81 0.439 3.893 15.131 1.00 0.00 C ATOM 1328 CD GLN A 81 0.596 4.294 16.586 1.00 0.00 C ATOM 1329 OE1 GLN A 81 -0.339 4.175 17.377 1.00 0.00 O ATOM 1330 NE2 GLN A 81 1.782 4.771 16.946 1.00 0.00 N ATOM 0 H GLN A 81 1.947 4.894 12.883 1.00 0.00 H new ATOM 0 HA GLN A 81 -0.610 3.721 12.625 1.00 0.00 H new ATOM 0 HB2 GLN A 81 0.566 5.899 14.404 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.072 5.310 14.603 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -0.248 3.049 15.063 1.00 0.00 H new ATOM 0 HG3 GLN A 81 1.400 3.553 14.746 1.00 0.00 H new ATOM 0 HE21 GLN A 81 2.529 4.853 16.257 1.00 0.00 H new ATOM 0 HE22 GLN A 81 1.945 5.056 17.912 1.00 0.00 H new ATOM 1339 N ALA A 82 -0.366 6.879 11.721 1.00 0.00 N ATOM 1340 CA ALA A 82 -1.061 7.961 11.021 1.00 0.00 C ATOM 1341 C ALA A 82 -1.569 7.491 9.662 1.00 0.00 C ATOM 1342 O ALA A 82 -2.630 7.910 9.198 1.00 0.00 O ATOM 1343 CB ALA A 82 -0.136 9.160 10.858 1.00 0.00 C ATOM 0 H ALA A 82 0.612 7.077 11.931 1.00 0.00 H new ATOM 0 HA ALA A 82 -1.922 8.260 11.619 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -0.664 9.958 10.336 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.178 9.514 11.840 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.741 8.867 10.281 1.00 0.00 H new ATOM 1349 N LEU A 83 -0.793 6.612 9.038 1.00 0.00 N ATOM 1350 CA LEU A 83 -1.133 6.048 7.740 1.00 0.00 C ATOM 1351 C LEU A 83 -2.259 5.027 7.871 1.00 0.00 C ATOM 1352 O LEU A 83 -3.128 4.928 7.005 1.00 0.00 O ATOM 1353 CB LEU A 83 0.103 5.377 7.136 1.00 0.00 C ATOM 1354 CG LEU A 83 1.071 6.314 6.407 1.00 0.00 C ATOM 1355 CD1 LEU A 83 1.972 7.036 7.398 1.00 0.00 C ATOM 1356 CD2 LEU A 83 1.907 5.535 5.407 1.00 0.00 C ATOM 0 H LEU A 83 0.090 6.271 9.419 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.472 6.853 7.088 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.646 4.870 7.934 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.227 4.608 6.437 1.00 0.00 H new ATOM 0 HG LEU A 83 0.485 7.060 5.870 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.651 7.696 6.858 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.362 7.625 8.083 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.550 6.305 7.964 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.590 6.214 4.897 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.480 4.769 5.930 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.252 5.062 4.675 1.00 0.00 H new ATOM 1368 N ALA A 84 -2.240 4.282 8.980 1.00 0.00 N ATOM 1369 CA ALA A 84 -3.232 3.240 9.246 1.00 0.00 C ATOM 1370 C ALA A 84 -4.614 3.813 9.555 1.00 0.00 C ATOM 1371 O ALA A 84 -5.612 3.105 9.461 1.00 0.00 O ATOM 1372 CB ALA A 84 -2.758 2.353 10.391 1.00 0.00 C ATOM 0 H ALA A 84 -1.540 4.384 9.714 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.331 2.645 8.338 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.501 1.579 10.584 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.810 1.887 10.122 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.623 2.958 11.288 1.00 0.00 H new ATOM 1378 N ASP A 85 -4.668 5.088 9.925 1.00 0.00 N ATOM 1379 CA ASP A 85 -5.936 5.739 10.244 1.00 0.00 C ATOM 1380 C ASP A 85 -6.610 6.293 8.990 1.00 0.00 C ATOM 1381 O ASP A 85 -7.837 6.402 8.931 1.00 0.00 O ATOM 1382 CB ASP A 85 -5.709 6.866 11.253 1.00 0.00 C ATOM 1383 CG ASP A 85 -6.910 7.084 12.153 1.00 0.00 C ATOM 1384 OD1 ASP A 85 -7.047 6.340 13.148 1.00 0.00 O ATOM 1385 OD2 ASP A 85 -7.713 7.995 11.862 1.00 0.00 O ATOM 0 H ASP A 85 -3.850 5.692 10.012 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.596 4.989 10.680 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.837 6.633 11.864 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.486 7.789 10.719 1.00 0.00 H new ATOM 1390 N LYS A 86 -5.803 6.629 7.987 1.00 0.00 N ATOM 1391 CA LYS A 86 -6.317 7.188 6.740 1.00 0.00 C ATOM 1392 C LYS A 86 -6.932 6.117 5.837 1.00 0.00 C ATOM 1393 O LYS A 86 -8.036 6.298 5.321 1.00 0.00 O ATOM 1394 CB LYS A 86 -5.202 7.925 5.995 1.00 0.00 C ATOM 1395 CG LYS A 86 -4.856 9.275 6.606 1.00 0.00 C ATOM 1396 CD LYS A 86 -3.785 9.996 5.802 1.00 0.00 C ATOM 1397 CE LYS A 86 -3.439 11.345 6.414 1.00 0.00 C ATOM 1398 NZ LYS A 86 -2.401 12.066 5.625 1.00 0.00 N ATOM 0 H LYS A 86 -4.789 6.524 8.014 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.109 7.890 7.000 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.309 7.300 5.983 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.503 8.071 4.958 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.752 9.893 6.655 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.510 9.134 7.630 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.889 9.378 5.752 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.132 10.138 4.778 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.339 11.957 6.474 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.083 11.200 7.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -2.195 12.980 6.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -1.533 11.494 5.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.750 12.228 4.659 1.00 0.00 H new ATOM 1412 N LEU A 87 -6.223 5.004 5.650 1.00 0.00 N ATOM 1413 CA LEU A 87 -6.712 3.926 4.791 1.00 0.00 C ATOM 1414 C LEU A 87 -7.850 3.138 5.444 1.00 0.00 C ATOM 1415 O LEU A 87 -8.676 2.559 4.745 1.00 0.00 O ATOM 1416 CB LEU A 87 -5.573 2.974 4.396 1.00 0.00 C ATOM 1417 CG LEU A 87 -4.669 2.499 5.540 1.00 0.00 C ATOM 1418 CD1 LEU A 87 -5.153 1.169 6.095 1.00 0.00 C ATOM 1419 CD2 LEU A 87 -3.232 2.376 5.060 1.00 0.00 C ATOM 0 H LEU A 87 -5.315 4.826 6.078 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.107 4.398 3.892 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.008 2.098 3.915 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.952 3.471 3.651 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.712 3.240 6.339 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.496 0.852 6.905 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.169 1.281 6.474 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.141 0.419 5.304 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.601 2.038 5.882 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.181 1.655 4.244 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.881 3.347 4.709 1.00 0.00 H new ATOM 1431 N ASN A 88 -7.887 3.114 6.777 1.00 0.00 N ATOM 1432 CA ASN A 88 -8.929 2.387 7.503 1.00 0.00 C ATOM 1433 C ASN A 88 -10.289 3.060 7.356 1.00 0.00 C ATOM 1434 O ASN A 88 -11.308 2.387 7.205 1.00 0.00 O ATOM 1435 CB ASN A 88 -8.569 2.273 8.984 1.00 0.00 C ATOM 1436 CG ASN A 88 -9.159 1.034 9.630 1.00 0.00 C ATOM 1437 OD1 ASN A 88 -10.268 1.063 10.161 1.00 0.00 O ATOM 1438 ND2 ASN A 88 -8.416 -0.064 9.587 1.00 0.00 N ATOM 0 H ASN A 88 -7.210 3.588 7.374 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.993 1.390 7.068 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.484 2.253 9.091 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -8.925 3.158 9.511 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -8.759 -0.929 10.005 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.501 -0.043 9.136 1.00 0.00 H new ATOM 1445 N LYS A 89 -10.300 4.390 7.395 1.00 0.00 N ATOM 1446 CA LYS A 89 -11.542 5.143 7.271 1.00 0.00 C ATOM 1447 C LYS A 89 -12.035 5.147 5.830 1.00 0.00 C ATOM 1448 O LYS A 89 -13.237 5.060 5.576 1.00 0.00 O ATOM 1449 CB LYS A 89 -11.350 6.574 7.772 1.00 0.00 C ATOM 1450 CG LYS A 89 -12.594 7.158 8.422 1.00 0.00 C ATOM 1451 CD LYS A 89 -12.343 8.560 8.951 1.00 0.00 C ATOM 1452 CE LYS A 89 -12.757 9.618 7.943 1.00 0.00 C ATOM 1453 NZ LYS A 89 -12.497 10.995 8.444 1.00 0.00 N ATOM 0 H LYS A 89 -9.466 4.965 7.511 1.00 0.00 H new ATOM 0 HA LYS A 89 -12.297 4.655 7.887 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -10.531 6.593 8.491 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -11.055 7.207 6.936 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -13.407 7.182 7.696 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -12.915 6.512 9.239 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -12.896 8.704 9.879 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.286 8.676 9.189 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -12.214 9.463 7.010 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -13.818 9.508 7.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -12.793 11.687 7.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -13.034 11.153 9.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -11.481 11.109 8.636 1.00 0.00 H new ATOM 1467 N TYR A 90 -11.097 5.246 4.890 1.00 0.00 N ATOM 1468 CA TYR A 90 -11.425 5.244 3.467 1.00 0.00 C ATOM 1469 C TYR A 90 -11.924 3.866 3.041 1.00 0.00 C ATOM 1470 O TYR A 90 -12.686 3.730 2.085 1.00 0.00 O ATOM 1471 CB TYR A 90 -10.196 5.634 2.644 1.00 0.00 C ATOM 1472 CG TYR A 90 -10.532 6.155 1.268 1.00 0.00 C ATOM 1473 CD1 TYR A 90 -10.864 7.489 1.070 1.00 0.00 C ATOM 1474 CD2 TYR A 90 -10.522 5.310 0.167 1.00 0.00 C ATOM 1475 CE1 TYR A 90 -11.177 7.965 -0.189 1.00 0.00 C ATOM 1476 CE2 TYR A 90 -10.832 5.778 -1.094 1.00 0.00 C ATOM 1477 CZ TYR A 90 -11.158 7.106 -1.267 1.00 0.00 C ATOM 1478 OH TYR A 90 -11.469 7.576 -2.522 1.00 0.00 O ATOM 0 H TYR A 90 -10.100 5.329 5.090 1.00 0.00 H new ATOM 0 HA TYR A 90 -12.216 5.973 3.290 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -9.634 6.395 3.185 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -9.544 4.766 2.546 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -10.878 8.164 1.913 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -10.267 4.269 0.299 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -11.435 9.004 -0.328 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -10.819 5.107 -1.940 1.00 0.00 H new ATOM 0 HH TYR A 90 -11.407 6.844 -3.170 1.00 0.00 H new ATOM 1488 N LEU A 91 -11.478 2.852 3.770 1.00 0.00 N ATOM 1489 CA LEU A 91 -11.842 1.466 3.508 1.00 0.00 C ATOM 1490 C LEU A 91 -13.329 1.207 3.772 1.00 0.00 C ATOM 1491 O LEU A 91 -13.948 0.372 3.113 1.00 0.00 O ATOM 1492 CB LEU A 91 -10.982 0.564 4.390 1.00 0.00 C ATOM 1493 CG LEU A 91 -11.297 -0.924 4.334 1.00 0.00 C ATOM 1494 CD1 LEU A 91 -10.441 -1.608 3.279 1.00 0.00 C ATOM 1495 CD2 LEU A 91 -11.066 -1.542 5.702 1.00 0.00 C ATOM 0 H LEU A 91 -10.849 2.969 4.565 1.00 0.00 H new ATOM 0 HA LEU A 91 -11.664 1.249 2.455 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.938 0.705 4.110 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -11.082 0.897 5.423 1.00 0.00 H new ATOM 0 HG LEU A 91 -12.342 -1.061 4.057 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -10.678 -2.672 3.251 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -10.643 -1.166 2.304 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -9.387 -1.478 3.525 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -11.291 -2.608 5.663 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -10.025 -1.402 5.994 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -11.715 -1.061 6.433 1.00 0.00 H new ATOM 1507 N THR A 92 -13.898 1.931 4.734 1.00 0.00 N ATOM 1508 CA THR A 92 -15.307 1.775 5.085 1.00 0.00 C ATOM 1509 C THR A 92 -16.186 2.782 4.340 1.00 0.00 C ATOM 1510 O THR A 92 -17.356 2.970 4.676 1.00 0.00 O ATOM 1511 CB THR A 92 -15.530 1.929 6.604 1.00 0.00 C ATOM 1512 OG1 THR A 92 -14.338 1.568 7.315 1.00 0.00 O ATOM 1513 CG2 THR A 92 -16.686 1.056 7.072 1.00 0.00 C ATOM 0 H THR A 92 -13.403 2.633 5.285 1.00 0.00 H new ATOM 0 HA THR A 92 -15.594 0.767 4.785 1.00 0.00 H new ATOM 0 HB THR A 92 -15.774 2.972 6.808 1.00 0.00 H new ATOM 0 HG1 THR A 92 -14.488 1.670 8.278 1.00 0.00 H new ATOM 0 HG21 THR A 92 -16.825 1.181 8.146 1.00 0.00 H new ATOM 0 HG22 THR A 92 -17.598 1.350 6.552 1.00 0.00 H new ATOM 0 HG23 THR A 92 -16.464 0.011 6.854 1.00 0.00 H new ATOM 1521 N LEU A 93 -15.618 3.421 3.317 1.00 0.00 N ATOM 1522 CA LEU A 93 -16.350 4.407 2.523 1.00 0.00 C ATOM 1523 C LEU A 93 -17.365 3.742 1.590 1.00 0.00 C ATOM 1524 O LEU A 93 -18.113 4.430 0.895 1.00 0.00 O ATOM 1525 CB LEU A 93 -15.376 5.258 1.706 1.00 0.00 C ATOM 1526 CG LEU A 93 -15.922 6.612 1.250 1.00 0.00 C ATOM 1527 CD1 LEU A 93 -15.778 7.647 2.355 1.00 0.00 C ATOM 1528 CD2 LEU A 93 -15.210 7.075 -0.011 1.00 0.00 C ATOM 0 H LEU A 93 -14.654 3.273 3.019 1.00 0.00 H new ATOM 0 HA LEU A 93 -16.898 5.045 3.217 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -14.479 5.427 2.301 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -15.073 4.691 0.826 1.00 0.00 H new ATOM 0 HG LEU A 93 -16.982 6.497 1.025 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -16.172 8.603 2.011 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -16.334 7.320 3.234 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -14.725 7.760 2.613 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -15.611 8.040 -0.322 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -14.143 7.173 0.189 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -15.365 6.345 -0.805 1.00 0.00 H new