USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 820 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 45 LYS NZ :NH3+ 164:sc= -0.145 (180deg=0) USER MOD Set 1.2: A 86 CYS SG : rot 180:sc= -0.214 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -1.71 K(o=-1.7,f=-4.3!) USER MOD Single : A 25 ASN : amide:sc= -0.778 K(o=-0.78,f=-0.043) USER MOD Single : A 28 GLN : amide:sc= -2.05! C(o=-2!,f=-4!) USER MOD Single : A 32 LYS NZ :NH3+ -177:sc= 0.419 (180deg=0.416) USER MOD Single : A 33 GLN : amide:sc= -0.0258 X(o=-0.026,f=0) USER MOD Single : A 43 GLN : amide:sc= -1.06! C(o=-1.1!,f=-3.1!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot -15:sc= -0.935 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.715 K(o=-0.72,f=-9.3!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.92 X(o=-0.92,f=-0.85) USER MOD Single : A 64 CYS SG : rot 180:sc= -0.259 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -105:sc= -0.86 (180deg=-2.9!) USER MOD Single : A 68 TYR OH : rot 165:sc= 0.00409 USER MOD Single : A 70 ASN : amide:sc= -0.65 K(o=-0.65,f=-4.5!) USER MOD Single : A 71 LYS NZ :NH3+ -150:sc= -0.0432 (180deg=-1.09) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 150:sc= -1.01 (180deg=-2.55!) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0.0215 X(o=0.022,f=0) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=-0.0017) USER MOD Single : A 92 THR OG1 : rot 89:sc= 0.349 USER MOD Single : A 93 TYR OH : rot 52:sc= 0.267 USER MOD Single : A 101 ASN : amide:sc= 0.54 K(o=0.54,f=-4.2!) USER MOD Single : A 104 CYS SG : rot 24:sc= 0.749 USER MOD Single : A 106 GLN : amide:sc= -3.2 K(o=-3.2,f=-7.2!) USER MOD Single : A 109 TYR OH : rot 39:sc=0.000326 USER MOD Single : A 110 ASN : amide:sc= -1.26 K(o=-1.3,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 143 N LEU A 13 9.292 1.950 4.509 1.00 0.00 N ATOM 144 CA LEU A 13 8.522 2.930 3.752 1.00 0.00 C ATOM 145 C LEU A 13 9.444 3.858 2.966 1.00 0.00 C ATOM 146 O LEU A 13 10.574 4.121 3.377 1.00 0.00 O ATOM 147 CB LEU A 13 7.637 3.749 4.693 1.00 0.00 C ATOM 148 CG LEU A 13 8.345 4.831 5.509 1.00 0.00 C ATOM 149 CD1 LEU A 13 8.421 6.130 4.722 1.00 0.00 C ATOM 150 CD2 LEU A 13 7.634 5.049 6.836 1.00 0.00 C ATOM 0 HA LEU A 13 7.890 2.392 3.045 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.853 4.223 4.102 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.145 3.065 5.384 1.00 0.00 H new ATOM 0 HG LEU A 13 9.362 4.496 5.716 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.928 6.888 5.319 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.976 5.964 3.799 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.413 6.470 4.483 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.152 5.822 7.403 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.606 5.361 6.651 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.634 4.120 7.406 1.00 0.00 H new ATOM 162 N LYS A 14 8.953 4.352 1.835 1.00 0.00 N ATOM 163 CA LYS A 14 9.729 5.253 0.992 1.00 0.00 C ATOM 164 C LYS A 14 8.814 6.112 0.125 1.00 0.00 C ATOM 165 O LYS A 14 7.860 5.626 -0.483 1.00 0.00 O ATOM 166 CB LYS A 14 10.689 4.456 0.106 1.00 0.00 C ATOM 167 CG LYS A 14 11.686 5.322 -0.644 1.00 0.00 C ATOM 168 CD LYS A 14 12.202 4.625 -1.892 1.00 0.00 C ATOM 169 CE LYS A 14 13.321 3.649 -1.564 1.00 0.00 C ATOM 170 NZ LYS A 14 13.452 2.587 -2.600 1.00 0.00 N ATOM 0 H LYS A 14 8.020 4.143 1.481 1.00 0.00 H new ATOM 0 HA LYS A 14 10.306 5.911 1.642 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.233 3.743 0.725 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.110 3.877 -0.614 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.214 6.265 -0.921 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.523 5.565 0.011 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.384 4.092 -2.377 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.563 5.369 -2.602 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.263 4.191 -1.479 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.129 3.189 -0.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.225 1.942 -2.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.562 2.053 -2.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.660 3.024 -3.521 1.00 0.00 H new ATOM 184 N PRO A 15 9.110 7.419 0.065 1.00 0.00 N ATOM 185 CA PRO A 15 8.326 8.372 -0.727 1.00 0.00 C ATOM 186 C PRO A 15 8.503 8.163 -2.227 1.00 0.00 C ATOM 187 O PRO A 15 9.542 7.697 -2.695 1.00 0.00 O ATOM 188 CB PRO A 15 8.891 9.731 -0.306 1.00 0.00 C ATOM 189 CG PRO A 15 10.278 9.439 0.152 1.00 0.00 C ATOM 190 CD PRO A 15 10.232 8.067 0.765 1.00 0.00 C ATOM 0 HA PRO A 15 7.256 8.266 -0.550 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.889 10.436 -1.138 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.296 10.177 0.491 1.00 0.00 H new ATOM 0 HG2 PRO A 15 10.979 9.470 -0.682 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.613 10.180 0.878 1.00 0.00 H new ATOM 0 HD2 PRO A 15 11.167 7.527 0.613 1.00 0.00 H new ATOM 0 HD3 PRO A 15 10.062 8.113 1.841 1.00 0.00 H new ATOM 198 N PRO A 16 7.465 8.514 -3.000 1.00 0.00 N ATOM 199 CA PRO A 16 7.482 8.375 -4.459 1.00 0.00 C ATOM 200 C PRO A 16 8.438 9.360 -5.124 1.00 0.00 C ATOM 201 O PRO A 16 8.701 10.438 -4.593 1.00 0.00 O ATOM 202 CB PRO A 16 6.036 8.678 -4.862 1.00 0.00 C ATOM 203 CG PRO A 16 5.511 9.540 -3.766 1.00 0.00 C ATOM 204 CD PRO A 16 6.195 9.076 -2.510 1.00 0.00 C ATOM 0 HA PRO A 16 7.828 7.389 -4.770 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.992 9.189 -5.824 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.452 7.763 -4.960 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.724 10.591 -3.961 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.429 9.445 -3.679 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.362 9.900 -1.816 1.00 0.00 H new ATOM 0 HD3 PRO A 16 5.602 8.329 -1.982 1.00 0.00 H new ATOM 212 N GLU A 17 8.953 8.981 -6.290 1.00 0.00 N ATOM 213 CA GLU A 17 9.880 9.832 -7.027 1.00 0.00 C ATOM 214 C GLU A 17 9.128 10.774 -7.962 1.00 0.00 C ATOM 215 O GLU A 17 9.505 11.934 -8.126 1.00 0.00 O ATOM 216 CB GLU A 17 10.864 8.978 -7.829 1.00 0.00 C ATOM 217 CG GLU A 17 11.950 8.340 -6.978 1.00 0.00 C ATOM 218 CD GLU A 17 12.459 7.037 -7.563 1.00 0.00 C ATOM 219 OE1 GLU A 17 11.727 6.028 -7.492 1.00 0.00 O ATOM 220 OE2 GLU A 17 13.590 7.027 -8.093 1.00 0.00 O ATOM 0 H GLU A 17 8.744 8.092 -6.744 1.00 0.00 H new ATOM 0 HA GLU A 17 10.435 10.431 -6.305 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.313 8.194 -8.348 1.00 0.00 H new ATOM 0 HB3 GLU A 17 11.331 9.598 -8.594 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.782 9.037 -6.874 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.561 8.157 -5.976 1.00 0.00 H new ATOM 227 N GLN A 18 8.063 10.266 -8.573 1.00 0.00 N ATOM 228 CA GLN A 18 7.258 11.061 -9.493 1.00 0.00 C ATOM 229 C GLN A 18 5.918 10.386 -9.767 1.00 0.00 C ATOM 230 O GLN A 18 5.840 9.163 -9.878 1.00 0.00 O ATOM 231 CB GLN A 18 8.011 11.277 -10.807 1.00 0.00 C ATOM 232 CG GLN A 18 8.247 9.997 -11.591 1.00 0.00 C ATOM 233 CD GLN A 18 7.120 9.686 -12.555 1.00 0.00 C ATOM 234 OE1 GLN A 18 6.387 10.580 -12.980 1.00 0.00 O ATOM 235 NE2 GLN A 18 6.974 8.414 -12.907 1.00 0.00 N ATOM 0 H GLN A 18 7.737 9.308 -8.448 1.00 0.00 H new ATOM 0 HA GLN A 18 7.069 12.028 -9.027 1.00 0.00 H new ATOM 0 HB2 GLN A 18 7.449 11.975 -11.428 1.00 0.00 H new ATOM 0 HB3 GLN A 18 8.972 11.744 -10.593 1.00 0.00 H new ATOM 0 HG2 GLN A 18 9.181 10.083 -12.146 1.00 0.00 H new ATOM 0 HG3 GLN A 18 8.364 9.166 -10.895 1.00 0.00 H new ATOM 0 HE21 GLN A 18 7.604 7.705 -12.531 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.232 8.146 -13.554 1.00 0.00 H new ATOM 244 N GLU A 19 4.866 11.192 -9.875 1.00 0.00 N ATOM 245 CA GLU A 19 3.529 10.672 -10.134 1.00 0.00 C ATOM 246 C GLU A 19 3.571 9.565 -11.185 1.00 0.00 C ATOM 247 O GLU A 19 4.094 9.757 -12.282 1.00 0.00 O ATOM 248 CB GLU A 19 2.601 11.796 -10.599 1.00 0.00 C ATOM 249 CG GLU A 19 1.145 11.377 -10.708 1.00 0.00 C ATOM 250 CD GLU A 19 0.208 12.559 -10.867 1.00 0.00 C ATOM 251 OE1 GLU A 19 0.006 13.006 -12.015 1.00 0.00 O ATOM 252 OE2 GLU A 19 -0.323 13.037 -9.842 1.00 0.00 O ATOM 0 H GLU A 19 4.914 12.207 -9.787 1.00 0.00 H new ATOM 0 HA GLU A 19 3.143 10.254 -9.204 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.679 12.631 -9.903 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.940 12.157 -11.570 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.026 10.707 -11.560 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.865 10.814 -9.818 1.00 0.00 H new ATOM 259 N ILE A 20 3.015 8.409 -10.839 1.00 0.00 N ATOM 260 CA ILE A 20 2.988 7.272 -11.751 1.00 0.00 C ATOM 261 C ILE A 20 1.652 7.185 -12.481 1.00 0.00 C ATOM 262 O ILE A 20 0.776 8.028 -12.295 1.00 0.00 O ATOM 263 CB ILE A 20 3.242 5.947 -11.007 1.00 0.00 C ATOM 264 CG1 ILE A 20 2.188 5.739 -9.918 1.00 0.00 C ATOM 265 CG2 ILE A 20 4.640 5.935 -10.409 1.00 0.00 C ATOM 266 CD1 ILE A 20 1.879 4.284 -9.646 1.00 0.00 C ATOM 0 H ILE A 20 2.577 8.235 -9.934 1.00 0.00 H new ATOM 0 HA ILE A 20 3.786 7.430 -12.476 1.00 0.00 H new ATOM 0 HB ILE A 20 3.167 5.126 -11.720 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.533 6.207 -8.996 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.270 6.248 -10.210 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.804 4.992 -9.887 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.377 6.042 -11.205 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.742 6.762 -9.706 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.124 4.213 -8.863 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.504 3.815 -10.556 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.786 3.774 -9.323 1.00 0.00 H new ATOM 278 N GLU A 21 1.504 6.157 -13.312 1.00 0.00 N ATOM 279 CA GLU A 21 0.274 5.960 -14.069 1.00 0.00 C ATOM 280 C GLU A 21 -0.429 4.675 -13.640 1.00 0.00 C ATOM 281 O GLU A 21 0.188 3.613 -13.564 1.00 0.00 O ATOM 282 CB GLU A 21 0.574 5.913 -15.569 1.00 0.00 C ATOM 283 CG GLU A 21 1.409 4.713 -15.985 1.00 0.00 C ATOM 284 CD GLU A 21 2.207 4.969 -17.249 1.00 0.00 C ATOM 285 OE1 GLU A 21 1.674 5.629 -18.165 1.00 0.00 O ATOM 286 OE2 GLU A 21 3.365 4.508 -17.322 1.00 0.00 O ATOM 0 H GLU A 21 2.220 5.449 -13.477 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.387 6.802 -13.864 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.367 5.899 -16.119 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.097 6.826 -15.855 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.091 4.451 -15.176 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.754 3.855 -16.140 1.00 0.00 H new ATOM 293 N ILE A 22 -1.724 4.782 -13.359 1.00 0.00 N ATOM 294 CA ILE A 22 -2.511 3.630 -12.938 1.00 0.00 C ATOM 295 C ILE A 22 -3.706 3.413 -13.860 1.00 0.00 C ATOM 296 O ILE A 22 -4.263 4.367 -14.405 1.00 0.00 O ATOM 297 CB ILE A 22 -3.015 3.791 -11.491 1.00 0.00 C ATOM 298 CG1 ILE A 22 -1.834 3.846 -10.519 1.00 0.00 C ATOM 299 CG2 ILE A 22 -3.955 2.651 -11.128 1.00 0.00 C ATOM 300 CD1 ILE A 22 -1.164 2.506 -10.307 1.00 0.00 C ATOM 0 H ILE A 22 -2.250 5.654 -13.415 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.853 2.762 -12.991 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.566 4.728 -11.416 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.097 4.556 -10.895 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.182 4.225 -9.558 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.303 2.779 -10.103 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.810 2.655 -11.804 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.427 1.702 -11.216 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.336 2.620 -9.607 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.887 1.798 -9.902 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.786 2.134 -11.259 1.00 0.00 H new ATOM 312 N ASP A 23 -4.096 2.155 -14.028 1.00 0.00 N ATOM 313 CA ASP A 23 -5.227 1.813 -14.882 1.00 0.00 C ATOM 314 C ASP A 23 -6.354 1.186 -14.066 1.00 0.00 C ATOM 315 O ASP A 23 -6.119 0.304 -13.240 1.00 0.00 O ATOM 316 CB ASP A 23 -4.787 0.852 -15.988 1.00 0.00 C ATOM 317 CG ASP A 23 -4.282 1.579 -17.219 1.00 0.00 C ATOM 318 OD1 ASP A 23 -5.028 2.423 -17.758 1.00 0.00 O ATOM 319 OD2 ASP A 23 -3.140 1.305 -17.643 1.00 0.00 O ATOM 0 H ASP A 23 -3.646 1.355 -13.584 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.598 2.732 -15.336 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.001 0.199 -15.607 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.626 0.213 -16.265 1.00 0.00 H new ATOM 324 N ARG A 24 -7.577 1.650 -14.302 1.00 0.00 N ATOM 325 CA ARG A 24 -8.740 1.136 -13.588 1.00 0.00 C ATOM 326 C ARG A 24 -9.226 -0.170 -14.209 1.00 0.00 C ATOM 327 O ARG A 24 -10.153 -0.801 -13.703 1.00 0.00 O ATOM 328 CB ARG A 24 -9.868 2.170 -13.598 1.00 0.00 C ATOM 329 CG ARG A 24 -9.394 3.591 -13.341 1.00 0.00 C ATOM 330 CD ARG A 24 -8.830 3.745 -11.937 1.00 0.00 C ATOM 331 NE ARG A 24 -8.893 5.128 -11.471 1.00 0.00 N ATOM 332 CZ ARG A 24 -8.109 6.095 -11.933 1.00 0.00 C ATOM 333 NH1 ARG A 24 -7.207 5.833 -12.870 1.00 0.00 N ATOM 334 NH2 ARG A 24 -8.226 7.329 -11.460 1.00 0.00 N ATOM 0 H ARG A 24 -7.788 2.381 -14.982 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.445 0.940 -12.557 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.374 2.134 -14.563 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.604 1.899 -12.841 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.631 3.859 -14.072 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.225 4.283 -13.479 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.385 3.106 -11.251 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.795 3.404 -11.923 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.576 5.364 -10.752 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.114 4.886 -13.238 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.607 6.578 -13.222 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.919 7.536 -10.741 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.623 8.071 -11.816 1.00 0.00 H new ATOM 348 N ASN A 25 -8.595 -0.568 -15.308 1.00 0.00 N ATOM 349 CA ASN A 25 -8.964 -1.798 -15.999 1.00 0.00 C ATOM 350 C ASN A 25 -7.757 -2.719 -16.154 1.00 0.00 C ATOM 351 O ASN A 25 -7.862 -3.807 -16.720 1.00 0.00 O ATOM 352 CB ASN A 25 -9.555 -1.478 -17.373 1.00 0.00 C ATOM 353 CG ASN A 25 -10.848 -0.692 -17.278 1.00 0.00 C ATOM 354 OD1 ASN A 25 -11.924 -1.204 -17.588 1.00 0.00 O ATOM 355 ND2 ASN A 25 -10.748 0.561 -16.848 1.00 0.00 N ATOM 0 H ASN A 25 -7.825 -0.057 -15.740 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.715 -2.311 -15.398 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.829 -0.909 -17.954 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.737 -2.407 -17.913 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.584 1.140 -16.764 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.835 0.944 -16.602 1.00 0.00 H new ATOM 362 N ILE A 26 -6.612 -2.274 -15.646 1.00 0.00 N ATOM 363 CA ILE A 26 -5.386 -3.058 -15.726 1.00 0.00 C ATOM 364 C ILE A 26 -4.635 -3.041 -14.400 1.00 0.00 C ATOM 365 O ILE A 26 -4.463 -1.987 -13.786 1.00 0.00 O ATOM 366 CB ILE A 26 -4.456 -2.537 -16.837 1.00 0.00 C ATOM 367 CG1 ILE A 26 -5.151 -2.626 -18.198 1.00 0.00 C ATOM 368 CG2 ILE A 26 -3.153 -3.322 -16.849 1.00 0.00 C ATOM 369 CD1 ILE A 26 -5.982 -1.408 -18.533 1.00 0.00 C ATOM 0 H ILE A 26 -6.508 -1.375 -15.175 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.681 -4.081 -15.960 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.225 -1.491 -16.636 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.398 -2.766 -18.973 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.791 -3.508 -18.213 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.506 -2.942 -17.640 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.653 -3.212 -15.887 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.365 -4.376 -17.029 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.445 -1.541 -19.511 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.758 -1.279 -17.779 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.343 -0.525 -18.551 1.00 0.00 H new ATOM 381 N ILE A 27 -4.187 -4.214 -13.964 1.00 0.00 N ATOM 382 CA ILE A 27 -3.451 -4.332 -12.711 1.00 0.00 C ATOM 383 C ILE A 27 -2.038 -4.851 -12.952 1.00 0.00 C ATOM 384 O ILE A 27 -1.823 -6.055 -13.090 1.00 0.00 O ATOM 385 CB ILE A 27 -4.169 -5.270 -11.723 1.00 0.00 C ATOM 386 CG1 ILE A 27 -5.642 -4.878 -11.593 1.00 0.00 C ATOM 387 CG2 ILE A 27 -3.483 -5.234 -10.365 1.00 0.00 C ATOM 388 CD1 ILE A 27 -6.389 -5.675 -10.546 1.00 0.00 C ATOM 0 H ILE A 27 -4.321 -5.095 -14.460 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.400 -3.333 -12.279 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.116 -6.289 -12.108 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -5.707 -3.818 -11.346 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -6.132 -5.012 -12.558 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -4.002 -5.902 -9.677 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.447 -5.556 -10.472 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.508 -4.218 -9.972 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -7.427 -5.344 -10.509 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -6.355 -6.734 -10.802 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.924 -5.522 -9.572 1.00 0.00 H new ATOM 400 N GLN A 28 -1.077 -3.934 -12.999 1.00 0.00 N ATOM 401 CA GLN A 28 0.317 -4.300 -13.221 1.00 0.00 C ATOM 402 C GLN A 28 0.957 -4.814 -11.936 1.00 0.00 C ATOM 403 O GLN A 28 0.581 -4.405 -10.838 1.00 0.00 O ATOM 404 CB GLN A 28 1.103 -3.099 -13.751 1.00 0.00 C ATOM 405 CG GLN A 28 0.260 -2.130 -14.564 1.00 0.00 C ATOM 406 CD GLN A 28 -0.428 -1.090 -13.702 1.00 0.00 C ATOM 407 OE1 GLN A 28 -0.179 -1.000 -12.499 1.00 0.00 O ATOM 408 NE2 GLN A 28 -1.298 -0.295 -14.314 1.00 0.00 N ATOM 0 H GLN A 28 -1.238 -2.933 -12.886 1.00 0.00 H new ATOM 0 HA GLN A 28 0.343 -5.099 -13.962 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.545 -2.565 -12.910 1.00 0.00 H new ATOM 0 HB3 GLN A 28 1.926 -3.458 -14.369 1.00 0.00 H new ATOM 0 HG2 GLN A 28 0.894 -1.629 -15.296 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.491 -2.688 -15.123 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -1.474 -0.404 -15.313 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.790 0.425 -13.785 1.00 0.00 H new ATOM 417 N GLU A 29 1.925 -5.714 -12.082 1.00 0.00 N ATOM 418 CA GLU A 29 2.615 -6.285 -10.931 1.00 0.00 C ATOM 419 C GLU A 29 2.954 -5.204 -9.909 1.00 0.00 C ATOM 420 O GLU A 29 3.024 -5.470 -8.709 1.00 0.00 O ATOM 421 CB GLU A 29 3.893 -6.999 -11.377 1.00 0.00 C ATOM 422 CG GLU A 29 4.819 -6.127 -12.209 1.00 0.00 C ATOM 423 CD GLU A 29 5.977 -6.905 -12.801 1.00 0.00 C ATOM 424 OE1 GLU A 29 5.753 -7.655 -13.774 1.00 0.00 O ATOM 425 OE2 GLU A 29 7.109 -6.764 -12.291 1.00 0.00 O ATOM 0 H GLU A 29 2.249 -6.063 -12.984 1.00 0.00 H new ATOM 0 HA GLU A 29 1.948 -7.008 -10.462 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.431 -7.348 -10.495 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.623 -7.882 -11.955 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.249 -5.663 -13.014 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.208 -5.320 -11.588 1.00 0.00 H new ATOM 432 N GLU A 30 3.165 -3.984 -10.393 1.00 0.00 N ATOM 433 CA GLU A 30 3.498 -2.864 -9.522 1.00 0.00 C ATOM 434 C GLU A 30 2.583 -2.833 -8.301 1.00 0.00 C ATOM 435 O GLU A 30 3.047 -2.713 -7.168 1.00 0.00 O ATOM 436 CB GLU A 30 3.390 -1.543 -10.287 1.00 0.00 C ATOM 437 CG GLU A 30 4.680 -1.132 -10.977 1.00 0.00 C ATOM 438 CD GLU A 30 4.436 -0.313 -12.229 1.00 0.00 C ATOM 439 OE1 GLU A 30 3.954 0.833 -12.104 1.00 0.00 O ATOM 440 OE2 GLU A 30 4.727 -0.816 -13.334 1.00 0.00 O ATOM 0 H GLU A 30 3.111 -3.747 -11.384 1.00 0.00 H new ATOM 0 HA GLU A 30 4.525 -2.995 -9.182 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.600 -1.629 -11.033 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.091 -0.756 -9.595 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.291 -0.555 -10.283 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.249 -2.025 -11.236 1.00 0.00 H new ATOM 447 N GLU A 31 1.280 -2.941 -8.543 1.00 0.00 N ATOM 448 CA GLU A 31 0.299 -2.924 -7.463 1.00 0.00 C ATOM 449 C GLU A 31 0.222 -4.285 -6.777 1.00 0.00 C ATOM 450 O GLU A 31 0.203 -4.375 -5.549 1.00 0.00 O ATOM 451 CB GLU A 31 -1.078 -2.533 -8.002 1.00 0.00 C ATOM 452 CG GLU A 31 -1.037 -1.404 -9.017 1.00 0.00 C ATOM 453 CD GLU A 31 -1.054 -0.034 -8.367 1.00 0.00 C ATOM 454 OE1 GLU A 31 -2.068 0.302 -7.721 1.00 0.00 O ATOM 455 OE2 GLU A 31 -0.054 0.701 -8.505 1.00 0.00 O ATOM 0 H GLU A 31 0.879 -3.041 -9.476 1.00 0.00 H new ATOM 0 HA GLU A 31 0.617 -2.184 -6.729 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.540 -3.407 -8.462 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.715 -2.237 -7.168 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.139 -1.501 -9.627 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.890 -1.494 -9.689 1.00 0.00 H new ATOM 462 N LYS A 32 0.177 -5.344 -7.579 1.00 0.00 N ATOM 463 CA LYS A 32 0.102 -6.701 -7.052 1.00 0.00 C ATOM 464 C LYS A 32 1.195 -6.943 -6.015 1.00 0.00 C ATOM 465 O LYS A 32 1.013 -7.722 -5.080 1.00 0.00 O ATOM 466 CB LYS A 32 0.228 -7.719 -8.187 1.00 0.00 C ATOM 467 CG LYS A 32 -0.918 -7.664 -9.183 1.00 0.00 C ATOM 468 CD LYS A 32 -0.758 -8.706 -10.277 1.00 0.00 C ATOM 469 CE LYS A 32 -1.966 -8.735 -11.201 1.00 0.00 C ATOM 470 NZ LYS A 32 -3.060 -9.585 -10.655 1.00 0.00 N ATOM 0 H LYS A 32 0.191 -5.288 -8.597 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.867 -6.823 -6.569 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.166 -7.548 -8.715 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.280 -8.721 -7.761 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.862 -7.825 -8.662 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.965 -6.671 -9.630 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.140 -8.491 -10.857 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.619 -9.689 -9.827 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.334 -7.720 -11.350 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.667 -9.112 -12.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.845 -9.620 -11.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.702 -10.547 -10.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.398 -9.182 -9.758 1.00 0.00 H new ATOM 484 N GLN A 33 2.328 -6.270 -6.188 1.00 0.00 N ATOM 485 CA GLN A 33 3.449 -6.412 -5.267 1.00 0.00 C ATOM 486 C GLN A 33 3.147 -5.737 -3.933 1.00 0.00 C ATOM 487 O GLN A 33 3.687 -6.119 -2.896 1.00 0.00 O ATOM 488 CB GLN A 33 4.718 -5.816 -5.878 1.00 0.00 C ATOM 489 CG GLN A 33 5.499 -6.798 -6.737 1.00 0.00 C ATOM 490 CD GLN A 33 6.535 -7.571 -5.945 1.00 0.00 C ATOM 491 OE1 GLN A 33 6.417 -8.783 -5.763 1.00 0.00 O ATOM 492 NE2 GLN A 33 7.558 -6.872 -5.467 1.00 0.00 N ATOM 0 H GLN A 33 2.494 -5.621 -6.957 1.00 0.00 H new ATOM 0 HA GLN A 33 3.606 -7.476 -5.088 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.448 -4.951 -6.484 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.362 -5.455 -5.076 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.806 -7.499 -7.202 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.994 -6.256 -7.543 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.616 -5.869 -5.642 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.286 -7.338 -4.925 1.00 0.00 H new ATOM 501 N ALA A 34 2.280 -4.730 -3.969 1.00 0.00 N ATOM 502 CA ALA A 34 1.904 -4.002 -2.763 1.00 0.00 C ATOM 503 C ALA A 34 0.546 -4.462 -2.245 1.00 0.00 C ATOM 504 O ALA A 34 0.153 -4.129 -1.126 1.00 0.00 O ATOM 505 CB ALA A 34 1.889 -2.505 -3.034 1.00 0.00 C ATOM 0 H ALA A 34 1.825 -4.400 -4.820 1.00 0.00 H new ATOM 0 HA ALA A 34 2.647 -4.213 -1.994 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.607 -1.974 -2.125 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.881 -2.182 -3.350 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.168 -2.285 -3.822 1.00 0.00 H new ATOM 511 N ILE A 35 -0.166 -5.229 -3.064 1.00 0.00 N ATOM 512 CA ILE A 35 -1.480 -5.734 -2.687 1.00 0.00 C ATOM 513 C ILE A 35 -1.575 -7.240 -2.910 1.00 0.00 C ATOM 514 O ILE A 35 -2.549 -7.750 -3.463 1.00 0.00 O ATOM 515 CB ILE A 35 -2.601 -5.037 -3.481 1.00 0.00 C ATOM 516 CG1 ILE A 35 -2.296 -3.546 -3.634 1.00 0.00 C ATOM 517 CG2 ILE A 35 -3.943 -5.242 -2.794 1.00 0.00 C ATOM 518 CD1 ILE A 35 -2.418 -2.769 -2.342 1.00 0.00 C ATOM 0 H ILE A 35 0.145 -5.514 -3.993 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.609 -5.517 -1.627 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.653 -5.481 -4.475 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.285 -3.428 -4.025 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.975 -3.118 -4.371 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.725 -4.744 -3.367 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.161 -6.308 -2.733 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.905 -4.821 -1.789 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.188 -1.720 -2.525 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.435 -2.856 -1.960 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.719 -3.171 -1.608 1.00 0.00 H new ATOM 530 N PRO A 36 -0.539 -7.969 -2.468 1.00 0.00 N ATOM 531 CA PRO A 36 -0.483 -9.428 -2.606 1.00 0.00 C ATOM 532 C PRO A 36 -1.491 -10.135 -1.707 1.00 0.00 C ATOM 533 O PRO A 36 -1.576 -11.362 -1.700 1.00 0.00 O ATOM 534 CB PRO A 36 0.947 -9.769 -2.179 1.00 0.00 C ATOM 535 CG PRO A 36 1.349 -8.654 -1.276 1.00 0.00 C ATOM 536 CD PRO A 36 0.655 -7.427 -1.800 1.00 0.00 C ATOM 0 HA PRO A 36 -0.730 -9.752 -3.617 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.988 -10.729 -1.665 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.611 -9.840 -3.040 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.054 -8.860 -0.247 1.00 0.00 H new ATOM 0 HG3 PRO A 36 2.431 -8.521 -1.277 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.389 -6.742 -0.995 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.287 -6.873 -2.494 1.00 0.00 H new ATOM 544 N GLU A 37 -2.254 -9.351 -0.951 1.00 0.00 N ATOM 545 CA GLU A 37 -3.256 -9.904 -0.047 1.00 0.00 C ATOM 546 C GLU A 37 -4.498 -10.345 -0.817 1.00 0.00 C ATOM 547 O GLU A 37 -5.175 -11.298 -0.431 1.00 0.00 O ATOM 548 CB GLU A 37 -3.641 -8.873 1.016 1.00 0.00 C ATOM 549 CG GLU A 37 -4.883 -9.249 1.807 1.00 0.00 C ATOM 550 CD GLU A 37 -4.560 -10.057 3.050 1.00 0.00 C ATOM 551 OE1 GLU A 37 -4.078 -11.200 2.905 1.00 0.00 O ATOM 552 OE2 GLU A 37 -4.789 -9.546 4.166 1.00 0.00 O ATOM 0 H GLU A 37 -2.197 -8.333 -0.947 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.824 -10.776 0.443 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -2.806 -8.745 1.705 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.806 -7.910 0.533 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.414 -8.342 2.096 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.555 -9.823 1.169 1.00 0.00 H new ATOM 559 N PHE A 38 -4.791 -9.645 -1.908 1.00 0.00 N ATOM 560 CA PHE A 38 -5.951 -9.962 -2.731 1.00 0.00 C ATOM 561 C PHE A 38 -5.608 -11.028 -3.768 1.00 0.00 C ATOM 562 O PHE A 38 -6.447 -11.853 -4.127 1.00 0.00 O ATOM 563 CB PHE A 38 -6.467 -8.702 -3.431 1.00 0.00 C ATOM 564 CG PHE A 38 -7.409 -7.892 -2.588 1.00 0.00 C ATOM 565 CD1 PHE A 38 -6.929 -6.903 -1.744 1.00 0.00 C ATOM 566 CD2 PHE A 38 -8.775 -8.118 -2.640 1.00 0.00 C ATOM 567 CE1 PHE A 38 -7.795 -6.156 -0.967 1.00 0.00 C ATOM 568 CE2 PHE A 38 -9.646 -7.374 -1.865 1.00 0.00 C ATOM 569 CZ PHE A 38 -9.155 -6.391 -1.028 1.00 0.00 C ATOM 0 H PHE A 38 -4.240 -8.854 -2.242 1.00 0.00 H new ATOM 0 HA PHE A 38 -6.732 -10.353 -2.078 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.618 -8.079 -3.714 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -6.973 -8.989 -4.353 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -5.867 -6.714 -1.693 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -9.164 -8.884 -3.294 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -7.408 -5.389 -0.312 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -10.708 -7.561 -1.914 1.00 0.00 H new ATOM 0 HZ PHE A 38 -9.833 -5.807 -0.423 1.00 0.00 H new ATOM 579 N PHE A 39 -4.368 -11.003 -4.244 1.00 0.00 N ATOM 580 CA PHE A 39 -3.912 -11.966 -5.240 1.00 0.00 C ATOM 581 C PHE A 39 -3.172 -13.125 -4.578 1.00 0.00 C ATOM 582 O PHE A 39 -2.360 -13.798 -5.212 1.00 0.00 O ATOM 583 CB PHE A 39 -3.002 -11.282 -6.263 1.00 0.00 C ATOM 584 CG PHE A 39 -3.479 -9.918 -6.672 1.00 0.00 C ATOM 585 CD1 PHE A 39 -4.513 -9.775 -7.582 1.00 0.00 C ATOM 586 CD2 PHE A 39 -2.892 -8.778 -6.146 1.00 0.00 C ATOM 587 CE1 PHE A 39 -4.955 -8.522 -7.961 1.00 0.00 C ATOM 588 CE2 PHE A 39 -3.330 -7.522 -6.521 1.00 0.00 C ATOM 589 CZ PHE A 39 -4.361 -7.393 -7.430 1.00 0.00 C ATOM 0 H PHE A 39 -3.661 -10.327 -3.956 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.788 -12.363 -5.752 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -1.999 -11.197 -5.845 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.926 -11.912 -7.149 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.980 -10.654 -8.001 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.084 -8.872 -5.436 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.763 -8.425 -8.671 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.866 -6.641 -6.103 1.00 0.00 H new ATOM 0 HZ PHE A 39 -4.703 -6.412 -7.725 1.00 0.00 H new ATOM 599 N GLU A 40 -3.460 -13.350 -3.300 1.00 0.00 N ATOM 600 CA GLU A 40 -2.820 -14.426 -2.552 1.00 0.00 C ATOM 601 C GLU A 40 -3.303 -15.789 -3.040 1.00 0.00 C ATOM 602 O GLU A 40 -2.806 -16.827 -2.606 1.00 0.00 O ATOM 603 CB GLU A 40 -3.106 -14.277 -1.056 1.00 0.00 C ATOM 604 CG GLU A 40 -4.588 -14.258 -0.719 1.00 0.00 C ATOM 605 CD GLU A 40 -4.845 -14.158 0.773 1.00 0.00 C ATOM 606 OE1 GLU A 40 -4.286 -14.980 1.528 1.00 0.00 O ATOM 607 OE2 GLU A 40 -5.606 -13.257 1.184 1.00 0.00 O ATOM 0 H GLU A 40 -4.131 -12.802 -2.762 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.745 -14.360 -2.717 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.631 -15.098 -0.520 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.648 -13.355 -0.697 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.061 -13.415 -1.223 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.056 -15.163 -1.105 1.00 0.00 H new ATOM 614 N GLY A 41 -4.277 -15.776 -3.945 1.00 0.00 N ATOM 615 CA GLY A 41 -4.811 -17.016 -4.477 1.00 0.00 C ATOM 616 C GLY A 41 -6.096 -17.435 -3.790 1.00 0.00 C ATOM 617 O GLY A 41 -7.006 -17.962 -4.430 1.00 0.00 O ATOM 0 H GLY A 41 -4.705 -14.929 -4.319 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -4.995 -16.900 -5.545 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -4.068 -17.806 -4.365 1.00 0.00 H new ATOM 621 N ARG A 42 -6.169 -17.204 -2.484 1.00 0.00 N ATOM 622 CA ARG A 42 -7.351 -17.564 -1.709 1.00 0.00 C ATOM 623 C ARG A 42 -8.621 -17.358 -2.529 1.00 0.00 C ATOM 624 O ARG A 42 -8.745 -16.378 -3.263 1.00 0.00 O ATOM 625 CB ARG A 42 -7.418 -16.733 -0.426 1.00 0.00 C ATOM 626 CG ARG A 42 -6.458 -17.203 0.654 1.00 0.00 C ATOM 627 CD ARG A 42 -6.933 -18.495 1.299 1.00 0.00 C ATOM 628 NE ARG A 42 -7.995 -18.263 2.274 1.00 0.00 N ATOM 629 CZ ARG A 42 -8.634 -19.238 2.911 1.00 0.00 C ATOM 630 NH1 ARG A 42 -8.321 -20.505 2.675 1.00 0.00 N ATOM 631 NH2 ARG A 42 -9.589 -18.947 3.785 1.00 0.00 N ATOM 0 H ARG A 42 -5.424 -16.769 -1.940 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.276 -18.619 -1.446 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.201 -15.692 -0.666 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.435 -16.765 -0.035 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.469 -17.353 0.222 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.359 -16.430 1.416 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -7.293 -19.175 0.526 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.092 -18.986 1.789 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.261 -17.299 2.477 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.588 -20.733 2.003 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.813 -21.252 3.165 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.833 -17.974 3.968 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.079 -19.697 4.273 1.00 0.00 H new ATOM 645 N GLN A 43 -9.561 -18.288 -2.397 1.00 0.00 N ATOM 646 CA GLN A 43 -10.821 -18.209 -3.127 1.00 0.00 C ATOM 647 C GLN A 43 -11.692 -17.078 -2.588 1.00 0.00 C ATOM 648 O GLN A 43 -12.439 -16.447 -3.336 1.00 0.00 O ATOM 649 CB GLN A 43 -11.574 -19.537 -3.032 1.00 0.00 C ATOM 650 CG GLN A 43 -11.946 -19.926 -1.610 1.00 0.00 C ATOM 651 CD GLN A 43 -10.810 -20.610 -0.876 1.00 0.00 C ATOM 652 OE1 GLN A 43 -10.045 -19.968 -0.156 1.00 0.00 O ATOM 653 NE2 GLN A 43 -10.694 -21.921 -1.054 1.00 0.00 N ATOM 0 H GLN A 43 -9.474 -19.104 -1.792 1.00 0.00 H new ATOM 0 HA GLN A 43 -10.594 -18.002 -4.173 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -12.482 -19.474 -3.632 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -10.959 -20.325 -3.466 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -12.244 -19.034 -1.059 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -12.810 -20.590 -1.633 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -11.350 -22.413 -1.660 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -9.949 -22.435 -0.585 1.00 0.00 H new ATOM 662 N ALA A 44 -11.590 -16.828 -1.287 1.00 0.00 N ATOM 663 CA ALA A 44 -12.366 -15.772 -0.649 1.00 0.00 C ATOM 664 C ALA A 44 -11.887 -14.394 -1.093 1.00 0.00 C ATOM 665 O ALA A 44 -12.659 -13.435 -1.117 1.00 0.00 O ATOM 666 CB ALA A 44 -12.286 -15.899 0.865 1.00 0.00 C ATOM 0 H ALA A 44 -10.977 -17.342 -0.654 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.406 -15.883 -0.957 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -12.870 -15.104 1.328 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -12.684 -16.867 1.170 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -11.246 -15.818 1.183 1.00 0.00 H new ATOM 672 N LYS A 45 -10.609 -14.301 -1.443 1.00 0.00 N ATOM 673 CA LYS A 45 -10.026 -13.041 -1.886 1.00 0.00 C ATOM 674 C LYS A 45 -9.840 -13.030 -3.400 1.00 0.00 C ATOM 675 O LYS A 45 -9.027 -13.780 -3.942 1.00 0.00 O ATOM 676 CB LYS A 45 -8.680 -12.806 -1.195 1.00 0.00 C ATOM 677 CG LYS A 45 -8.809 -12.266 0.219 1.00 0.00 C ATOM 678 CD LYS A 45 -8.929 -10.751 0.228 1.00 0.00 C ATOM 679 CE LYS A 45 -8.767 -10.187 1.631 1.00 0.00 C ATOM 680 NZ LYS A 45 -8.958 -8.711 1.661 1.00 0.00 N ATOM 0 H LYS A 45 -9.956 -15.085 -1.428 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.712 -12.238 -1.615 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.126 -13.744 -1.168 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.093 -12.107 -1.790 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.684 -12.704 0.698 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.941 -12.567 0.805 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.172 -10.321 -0.428 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.900 -10.460 -0.172 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.488 -10.660 2.298 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.774 -10.432 2.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.110 -8.400 2.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.112 -8.244 1.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.786 -8.456 1.085 1.00 0.00 H new ATOM 694 N THR A 46 -10.598 -12.174 -4.079 1.00 0.00 N ATOM 695 CA THR A 46 -10.516 -12.066 -5.530 1.00 0.00 C ATOM 696 C THR A 46 -9.939 -10.718 -5.949 1.00 0.00 C ATOM 697 O THR A 46 -10.072 -9.714 -5.249 1.00 0.00 O ATOM 698 CB THR A 46 -11.899 -12.245 -6.185 1.00 0.00 C ATOM 699 OG1 THR A 46 -12.629 -11.014 -6.132 1.00 0.00 O ATOM 700 CG2 THR A 46 -12.690 -13.341 -5.487 1.00 0.00 C ATOM 0 H THR A 46 -11.275 -11.546 -3.647 1.00 0.00 H new ATOM 0 HA THR A 46 -9.855 -12.863 -5.870 1.00 0.00 H new ATOM 0 HB THR A 46 -11.750 -12.533 -7.226 1.00 0.00 H new ATOM 0 HG1 THR A 46 -13.506 -11.136 -6.552 1.00 0.00 H new ATOM 0 HG21 THR A 46 -13.663 -13.449 -5.967 1.00 0.00 H new ATOM 0 HG22 THR A 46 -12.145 -14.283 -5.555 1.00 0.00 H new ATOM 0 HG23 THR A 46 -12.830 -13.077 -4.439 1.00 0.00 H new ATOM 708 N PRO A 47 -9.282 -10.693 -7.118 1.00 0.00 N ATOM 709 CA PRO A 47 -8.672 -9.474 -7.657 1.00 0.00 C ATOM 710 C PRO A 47 -9.713 -8.455 -8.108 1.00 0.00 C ATOM 711 O PRO A 47 -9.449 -7.254 -8.131 1.00 0.00 O ATOM 712 CB PRO A 47 -7.866 -9.981 -8.856 1.00 0.00 C ATOM 713 CG PRO A 47 -8.550 -11.238 -9.268 1.00 0.00 C ATOM 714 CD PRO A 47 -9.085 -11.853 -8.004 1.00 0.00 C ATOM 0 HA PRO A 47 -8.071 -8.955 -6.910 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.859 -9.251 -9.665 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.827 -10.166 -8.584 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.356 -11.031 -9.972 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.856 -11.914 -9.767 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -10.019 -12.387 -8.181 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -8.383 -12.570 -7.578 1.00 0.00 H new ATOM 722 N GLU A 48 -10.896 -8.944 -8.466 1.00 0.00 N ATOM 723 CA GLU A 48 -11.977 -8.075 -8.916 1.00 0.00 C ATOM 724 C GLU A 48 -12.456 -7.171 -7.784 1.00 0.00 C ATOM 725 O GLU A 48 -12.997 -6.091 -8.024 1.00 0.00 O ATOM 726 CB GLU A 48 -13.145 -8.908 -9.447 1.00 0.00 C ATOM 727 CG GLU A 48 -12.937 -9.413 -10.865 1.00 0.00 C ATOM 728 CD GLU A 48 -14.077 -10.292 -11.344 1.00 0.00 C ATOM 729 OE1 GLU A 48 -14.079 -11.495 -11.008 1.00 0.00 O ATOM 730 OE2 GLU A 48 -14.965 -9.778 -12.054 1.00 0.00 O ATOM 0 H GLU A 48 -11.130 -9.937 -8.453 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.593 -7.448 -9.721 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -13.302 -9.760 -8.786 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -14.054 -8.307 -9.414 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -12.832 -8.562 -11.538 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -12.004 -9.975 -10.913 1.00 0.00 H new ATOM 737 N ARG A 49 -12.253 -7.620 -6.550 1.00 0.00 N ATOM 738 CA ARG A 49 -12.666 -6.854 -5.380 1.00 0.00 C ATOM 739 C ARG A 49 -11.695 -5.708 -5.111 1.00 0.00 C ATOM 740 O ARG A 49 -12.109 -4.589 -4.808 1.00 0.00 O ATOM 741 CB ARG A 49 -12.751 -7.763 -4.153 1.00 0.00 C ATOM 742 CG ARG A 49 -13.762 -7.296 -3.118 1.00 0.00 C ATOM 743 CD ARG A 49 -14.034 -8.373 -2.079 1.00 0.00 C ATOM 744 NE ARG A 49 -14.840 -9.464 -2.620 1.00 0.00 N ATOM 745 CZ ARG A 49 -15.343 -10.444 -1.878 1.00 0.00 C ATOM 746 NH1 ARG A 49 -15.125 -10.469 -0.571 1.00 0.00 N ATOM 747 NH2 ARG A 49 -16.067 -11.401 -2.444 1.00 0.00 N ATOM 0 H ARG A 49 -11.805 -8.511 -6.334 1.00 0.00 H new ATOM 0 HA ARG A 49 -13.651 -6.434 -5.581 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -13.013 -8.771 -4.475 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -11.768 -7.823 -3.687 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.390 -6.398 -2.624 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -14.694 -7.024 -3.614 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -13.088 -8.769 -1.711 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -14.548 -7.931 -1.225 1.00 0.00 H new ATOM 0 HE ARG A 49 -15.027 -9.474 -3.623 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -14.570 -9.734 -0.132 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -15.513 -11.223 -0.004 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -16.238 -11.384 -3.450 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -16.453 -12.153 -1.874 1.00 0.00 H new ATOM 761 N TYR A 50 -10.403 -5.995 -5.224 1.00 0.00 N ATOM 762 CA TYR A 50 -9.373 -4.990 -4.990 1.00 0.00 C ATOM 763 C TYR A 50 -9.535 -3.812 -5.946 1.00 0.00 C ATOM 764 O TYR A 50 -9.185 -2.678 -5.618 1.00 0.00 O ATOM 765 CB TYR A 50 -7.983 -5.606 -5.152 1.00 0.00 C ATOM 766 CG TYR A 50 -6.896 -4.588 -5.415 1.00 0.00 C ATOM 767 CD1 TYR A 50 -6.350 -3.842 -4.379 1.00 0.00 C ATOM 768 CD2 TYR A 50 -6.415 -4.374 -6.701 1.00 0.00 C ATOM 769 CE1 TYR A 50 -5.358 -2.910 -4.615 1.00 0.00 C ATOM 770 CE2 TYR A 50 -5.421 -3.446 -6.946 1.00 0.00 C ATOM 771 CZ TYR A 50 -4.897 -2.716 -5.900 1.00 0.00 C ATOM 772 OH TYR A 50 -3.907 -1.790 -6.139 1.00 0.00 O ATOM 0 H TYR A 50 -10.044 -6.916 -5.476 1.00 0.00 H new ATOM 0 HA TYR A 50 -9.483 -4.624 -3.969 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -7.735 -6.165 -4.250 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.006 -6.322 -5.974 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.707 -3.993 -3.371 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.825 -4.942 -7.523 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.946 -2.337 -3.798 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -5.057 -3.293 -7.951 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.815 -1.202 -5.361 1.00 0.00 H new ATOM 782 N LEU A 51 -10.067 -4.090 -7.131 1.00 0.00 N ATOM 783 CA LEU A 51 -10.277 -3.054 -8.137 1.00 0.00 C ATOM 784 C LEU A 51 -11.434 -2.141 -7.746 1.00 0.00 C ATOM 785 O LEU A 51 -11.297 -0.917 -7.735 1.00 0.00 O ATOM 786 CB LEU A 51 -10.552 -3.689 -9.502 1.00 0.00 C ATOM 787 CG LEU A 51 -9.321 -4.063 -10.328 1.00 0.00 C ATOM 788 CD1 LEU A 51 -9.713 -4.959 -11.493 1.00 0.00 C ATOM 789 CD2 LEU A 51 -8.615 -2.812 -10.829 1.00 0.00 C ATOM 0 H LEU A 51 -10.361 -5.023 -7.419 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.370 -2.453 -8.199 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.149 -4.588 -9.349 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.160 -2.998 -10.086 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.631 -4.614 -9.689 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.824 -5.215 -12.070 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.174 -5.870 -11.112 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -10.422 -4.434 -12.133 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.741 -3.097 -11.415 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.297 -2.234 -11.453 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.300 -2.207 -9.979 1.00 0.00 H new ATOM 801 N LYS A 52 -12.573 -2.744 -7.424 1.00 0.00 N ATOM 802 CA LYS A 52 -13.755 -1.986 -7.028 1.00 0.00 C ATOM 803 C LYS A 52 -13.394 -0.905 -6.014 1.00 0.00 C ATOM 804 O LYS A 52 -13.797 0.249 -6.154 1.00 0.00 O ATOM 805 CB LYS A 52 -14.812 -2.922 -6.438 1.00 0.00 C ATOM 806 CG LYS A 52 -16.104 -2.219 -6.059 1.00 0.00 C ATOM 807 CD LYS A 52 -16.894 -1.803 -7.289 1.00 0.00 C ATOM 808 CE LYS A 52 -18.336 -1.472 -6.939 1.00 0.00 C ATOM 809 NZ LYS A 52 -19.146 -1.172 -8.151 1.00 0.00 N ATOM 0 H LYS A 52 -12.703 -3.756 -7.429 1.00 0.00 H new ATOM 0 HA LYS A 52 -14.161 -1.504 -7.917 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -15.034 -3.707 -7.161 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -14.401 -3.410 -5.554 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -16.712 -2.881 -5.442 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.877 -1.340 -5.456 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -16.422 -0.935 -7.750 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -16.872 -2.606 -8.026 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -18.781 -2.310 -6.403 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -18.359 -0.615 -6.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -20.123 -0.951 -7.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -18.736 -0.356 -8.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -19.146 -1.999 -8.782 1.00 0.00 H new ATOM 823 N ILE A 53 -12.631 -1.288 -4.995 1.00 0.00 N ATOM 824 CA ILE A 53 -12.214 -0.350 -3.960 1.00 0.00 C ATOM 825 C ILE A 53 -11.236 0.680 -4.513 1.00 0.00 C ATOM 826 O ILE A 53 -11.482 1.885 -4.444 1.00 0.00 O ATOM 827 CB ILE A 53 -11.558 -1.078 -2.772 1.00 0.00 C ATOM 828 CG1 ILE A 53 -12.528 -2.098 -2.172 1.00 0.00 C ATOM 829 CG2 ILE A 53 -11.114 -0.077 -1.717 1.00 0.00 C ATOM 830 CD1 ILE A 53 -11.839 -3.234 -1.449 1.00 0.00 C ATOM 0 H ILE A 53 -12.290 -2.240 -4.864 1.00 0.00 H new ATOM 0 HA ILE A 53 -13.114 0.157 -3.613 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.678 -1.610 -3.133 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -13.195 -1.588 -1.478 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -13.149 -2.508 -2.968 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -10.652 -0.607 -0.884 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -10.392 0.614 -2.152 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -11.979 0.481 -1.358 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -12.588 -3.918 -1.050 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -11.193 -3.769 -2.145 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -11.240 -2.834 -0.631 1.00 0.00 H new ATOM 842 N ARG A 54 -10.126 0.199 -5.064 1.00 0.00 N ATOM 843 CA ARG A 54 -9.110 1.078 -5.630 1.00 0.00 C ATOM 844 C ARG A 54 -9.735 2.075 -6.602 1.00 0.00 C ATOM 845 O ARG A 54 -9.759 3.278 -6.342 1.00 0.00 O ATOM 846 CB ARG A 54 -8.036 0.257 -6.346 1.00 0.00 C ATOM 847 CG ARG A 54 -6.680 0.942 -6.398 1.00 0.00 C ATOM 848 CD ARG A 54 -5.820 0.389 -7.523 1.00 0.00 C ATOM 849 NE ARG A 54 -6.548 0.323 -8.787 1.00 0.00 N ATOM 850 CZ ARG A 54 -6.171 -0.431 -9.814 1.00 0.00 C ATOM 851 NH1 ARG A 54 -5.080 -1.178 -9.727 1.00 0.00 N ATOM 852 NH2 ARG A 54 -6.887 -0.438 -10.932 1.00 0.00 N ATOM 0 H ARG A 54 -9.908 -0.795 -5.130 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.649 1.633 -4.813 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.929 -0.704 -5.842 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.368 0.049 -7.363 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -6.818 2.014 -6.537 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -6.166 0.808 -5.446 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.937 1.016 -7.646 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.469 -0.607 -7.255 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.392 0.887 -8.887 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.527 -1.175 -8.870 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.793 -1.756 -10.517 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -7.727 0.136 -11.003 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.597 -1.017 -11.720 1.00 0.00 H new ATOM 866 N ASN A 55 -10.238 1.567 -7.722 1.00 0.00 N ATOM 867 CA ASN A 55 -10.862 2.413 -8.733 1.00 0.00 C ATOM 868 C ASN A 55 -11.613 3.571 -8.084 1.00 0.00 C ATOM 869 O ASN A 55 -11.557 4.705 -8.561 1.00 0.00 O ATOM 870 CB ASN A 55 -11.819 1.589 -9.597 1.00 0.00 C ATOM 871 CG ASN A 55 -11.117 0.453 -10.316 1.00 0.00 C ATOM 872 OD1 ASN A 55 -10.122 -0.084 -9.829 1.00 0.00 O ATOM 873 ND2 ASN A 55 -11.633 0.083 -11.482 1.00 0.00 N ATOM 0 H ASN A 55 -10.226 0.574 -7.953 1.00 0.00 H new ATOM 0 HA ASN A 55 -10.075 2.823 -9.365 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -12.612 1.183 -8.969 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -12.295 2.241 -10.330 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -11.203 -0.675 -12.012 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -12.459 0.557 -11.847 1.00 0.00 H new ATOM 880 N TYR A 56 -12.315 3.278 -6.995 1.00 0.00 N ATOM 881 CA TYR A 56 -13.080 4.294 -6.282 1.00 0.00 C ATOM 882 C TYR A 56 -12.164 5.393 -5.753 1.00 0.00 C ATOM 883 O TYR A 56 -12.373 6.576 -6.025 1.00 0.00 O ATOM 884 CB TYR A 56 -13.856 3.661 -5.126 1.00 0.00 C ATOM 885 CG TYR A 56 -14.819 4.611 -4.451 1.00 0.00 C ATOM 886 CD1 TYR A 56 -16.124 4.750 -4.906 1.00 0.00 C ATOM 887 CD2 TYR A 56 -14.423 5.370 -3.356 1.00 0.00 C ATOM 888 CE1 TYR A 56 -17.006 5.617 -4.292 1.00 0.00 C ATOM 889 CE2 TYR A 56 -15.299 6.239 -2.735 1.00 0.00 C ATOM 890 CZ TYR A 56 -16.589 6.360 -3.207 1.00 0.00 C ATOM 891 OH TYR A 56 -17.466 7.224 -2.592 1.00 0.00 O ATOM 0 H TYR A 56 -12.370 2.345 -6.587 1.00 0.00 H new ATOM 0 HA TYR A 56 -13.786 4.740 -6.983 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -14.410 2.800 -5.500 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -13.148 3.288 -4.386 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -16.455 4.170 -5.755 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -13.413 5.279 -2.984 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -18.017 5.713 -4.659 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -14.975 6.820 -1.884 1.00 0.00 H new ATOM 0 HH TYR A 56 -17.016 7.670 -1.844 1.00 0.00 H new ATOM 901 N ILE A 57 -11.148 4.994 -4.996 1.00 0.00 N ATOM 902 CA ILE A 57 -10.198 5.943 -4.429 1.00 0.00 C ATOM 903 C ILE A 57 -9.508 6.750 -5.524 1.00 0.00 C ATOM 904 O ILE A 57 -9.544 7.981 -5.520 1.00 0.00 O ATOM 905 CB ILE A 57 -9.129 5.231 -3.580 1.00 0.00 C ATOM 906 CG1 ILE A 57 -9.783 4.496 -2.408 1.00 0.00 C ATOM 907 CG2 ILE A 57 -8.100 6.232 -3.076 1.00 0.00 C ATOM 908 CD1 ILE A 57 -8.840 3.566 -1.677 1.00 0.00 C ATOM 0 H ILE A 57 -10.961 4.019 -4.761 1.00 0.00 H new ATOM 0 HA ILE A 57 -10.768 6.616 -3.789 1.00 0.00 H new ATOM 0 HB ILE A 57 -8.619 4.498 -4.205 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -10.176 5.229 -1.704 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -10.632 3.922 -2.778 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.351 5.714 -2.477 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -7.616 6.715 -3.925 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.595 6.986 -2.464 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -9.371 3.079 -0.859 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -8.466 2.810 -2.368 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -8.003 4.138 -1.277 1.00 0.00 H new ATOM 920 N LEU A 58 -8.880 6.048 -6.461 1.00 0.00 N ATOM 921 CA LEU A 58 -8.182 6.699 -7.565 1.00 0.00 C ATOM 922 C LEU A 58 -9.077 7.732 -8.242 1.00 0.00 C ATOM 923 O LEU A 58 -8.614 8.799 -8.646 1.00 0.00 O ATOM 924 CB LEU A 58 -7.721 5.658 -8.587 1.00 0.00 C ATOM 925 CG LEU A 58 -6.358 5.017 -8.325 1.00 0.00 C ATOM 926 CD1 LEU A 58 -6.129 3.845 -9.267 1.00 0.00 C ATOM 927 CD2 LEU A 58 -5.247 6.046 -8.472 1.00 0.00 C ATOM 0 H LEU A 58 -8.840 5.029 -6.479 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.310 7.212 -7.159 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.469 4.867 -8.632 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -7.695 6.129 -9.569 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.346 4.642 -7.302 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.154 3.401 -9.066 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.907 3.097 -9.113 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.162 4.195 -10.299 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.284 5.572 -8.282 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.258 6.452 -9.484 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.401 6.853 -7.756 1.00 0.00 H new ATOM 939 N ASP A 59 -10.360 7.408 -8.360 1.00 0.00 N ATOM 940 CA ASP A 59 -11.321 8.310 -8.985 1.00 0.00 C ATOM 941 C ASP A 59 -11.551 9.544 -8.118 1.00 0.00 C ATOM 942 O ASP A 59 -11.400 10.675 -8.581 1.00 0.00 O ATOM 943 CB ASP A 59 -12.647 7.587 -9.227 1.00 0.00 C ATOM 944 CG ASP A 59 -12.626 6.748 -10.489 1.00 0.00 C ATOM 945 OD1 ASP A 59 -12.025 7.194 -11.488 1.00 0.00 O ATOM 946 OD2 ASP A 59 -13.213 5.645 -10.478 1.00 0.00 O ATOM 0 H ASP A 59 -10.759 6.528 -8.031 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.911 8.632 -9.942 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.870 6.948 -8.373 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -13.450 8.320 -9.295 1.00 0.00 H new ATOM 951 N GLN A 60 -11.917 9.318 -6.861 1.00 0.00 N ATOM 952 CA GLN A 60 -12.170 10.413 -5.931 1.00 0.00 C ATOM 953 C GLN A 60 -10.960 11.337 -5.837 1.00 0.00 C ATOM 954 O GLN A 60 -11.101 12.560 -5.827 1.00 0.00 O ATOM 955 CB GLN A 60 -12.516 9.864 -4.546 1.00 0.00 C ATOM 956 CG GLN A 60 -13.795 9.044 -4.519 1.00 0.00 C ATOM 957 CD GLN A 60 -14.963 9.763 -5.165 1.00 0.00 C ATOM 958 OE1 GLN A 60 -15.278 10.901 -4.814 1.00 0.00 O ATOM 959 NE2 GLN A 60 -15.613 9.102 -6.115 1.00 0.00 N ATOM 0 H GLN A 60 -12.045 8.388 -6.463 1.00 0.00 H new ATOM 0 HA GLN A 60 -13.016 10.988 -6.307 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -11.691 9.246 -4.193 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -12.613 10.696 -3.848 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -13.626 8.098 -5.033 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -14.047 8.805 -3.486 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -15.318 8.161 -6.374 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -16.407 9.535 -6.586 1.00 0.00 H new ATOM 968 N TRP A 61 -9.774 10.745 -5.768 1.00 0.00 N ATOM 969 CA TRP A 61 -8.539 11.517 -5.674 1.00 0.00 C ATOM 970 C TRP A 61 -8.545 12.676 -6.664 1.00 0.00 C ATOM 971 O TRP A 61 -8.339 13.828 -6.285 1.00 0.00 O ATOM 972 CB TRP A 61 -7.330 10.616 -5.932 1.00 0.00 C ATOM 973 CG TRP A 61 -6.162 11.345 -6.525 1.00 0.00 C ATOM 974 CD1 TRP A 61 -5.464 10.999 -7.647 1.00 0.00 C ATOM 975 CD2 TRP A 61 -5.556 12.542 -6.026 1.00 0.00 C ATOM 976 NE1 TRP A 61 -4.460 11.909 -7.875 1.00 0.00 N ATOM 977 CE2 TRP A 61 -4.496 12.865 -6.896 1.00 0.00 C ATOM 978 CE3 TRP A 61 -5.806 13.373 -4.931 1.00 0.00 C ATOM 979 CZ2 TRP A 61 -3.689 13.983 -6.701 1.00 0.00 C ATOM 980 CZ3 TRP A 61 -5.004 14.481 -4.739 1.00 0.00 C ATOM 981 CH2 TRP A 61 -3.957 14.779 -5.621 1.00 0.00 C ATOM 0 H TRP A 61 -9.640 9.734 -5.775 1.00 0.00 H new ATOM 0 HA TRP A 61 -8.471 11.926 -4.666 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -7.023 10.155 -4.993 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -7.624 9.809 -6.603 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -5.671 10.137 -8.264 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -3.796 11.877 -8.648 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -6.612 13.153 -4.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -2.880 14.214 -7.378 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -5.187 15.129 -3.894 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -3.349 15.654 -5.445 1.00 0.00 H new ATOM 992 N GLU A 62 -8.783 12.363 -7.934 1.00 0.00 N ATOM 993 CA GLU A 62 -8.815 13.381 -8.978 1.00 0.00 C ATOM 994 C GLU A 62 -10.053 14.263 -8.839 1.00 0.00 C ATOM 995 O GLU A 62 -10.092 15.381 -9.356 1.00 0.00 O ATOM 996 CB GLU A 62 -8.794 12.726 -10.361 1.00 0.00 C ATOM 997 CG GLU A 62 -8.058 11.398 -10.394 1.00 0.00 C ATOM 998 CD GLU A 62 -7.514 11.066 -11.770 1.00 0.00 C ATOM 999 OE1 GLU A 62 -8.314 10.681 -12.648 1.00 0.00 O ATOM 1000 OE2 GLU A 62 -6.288 11.192 -11.968 1.00 0.00 O ATOM 0 H GLU A 62 -8.956 11.414 -8.265 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.930 14.007 -8.867 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.820 12.572 -10.696 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.326 13.409 -11.070 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.236 11.425 -9.679 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.733 10.605 -10.073 1.00 0.00 H new ATOM 1007 N ILE A 63 -11.061 13.753 -8.140 1.00 0.00 N ATOM 1008 CA ILE A 63 -12.299 14.494 -7.934 1.00 0.00 C ATOM 1009 C ILE A 63 -12.115 15.592 -6.892 1.00 0.00 C ATOM 1010 O ILE A 63 -12.859 16.574 -6.872 1.00 0.00 O ATOM 1011 CB ILE A 63 -13.443 13.565 -7.487 1.00 0.00 C ATOM 1012 CG1 ILE A 63 -13.844 12.628 -8.629 1.00 0.00 C ATOM 1013 CG2 ILE A 63 -14.639 14.383 -7.022 1.00 0.00 C ATOM 1014 CD1 ILE A 63 -14.778 11.518 -8.201 1.00 0.00 C ATOM 0 H ILE A 63 -11.045 12.830 -7.707 1.00 0.00 H new ATOM 0 HA ILE A 63 -12.560 14.945 -8.891 1.00 0.00 H new ATOM 0 HB ILE A 63 -13.094 12.960 -6.650 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -14.323 13.211 -9.416 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -12.945 12.189 -9.060 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -15.439 13.712 -6.709 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -14.345 15.013 -6.183 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -14.991 15.011 -7.841 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -15.020 10.894 -9.061 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -14.295 10.910 -7.436 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -15.694 11.949 -7.797 1.00 0.00 H new ATOM 1026 N CYS A 64 -11.120 15.421 -6.029 1.00 0.00 N ATOM 1027 CA CYS A 64 -10.837 16.398 -4.984 1.00 0.00 C ATOM 1028 C CYS A 64 -9.569 17.184 -5.303 1.00 0.00 C ATOM 1029 O CYS A 64 -9.463 18.368 -4.985 1.00 0.00 O ATOM 1030 CB CYS A 64 -10.692 15.701 -3.631 1.00 0.00 C ATOM 1031 SG CYS A 64 -11.186 16.718 -2.220 1.00 0.00 S ATOM 0 H CYS A 64 -10.495 14.615 -6.032 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.673 17.096 -4.937 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -11.292 14.791 -3.637 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -9.653 15.397 -3.500 1.00 0.00 H new ATOM 0 HG CYS A 64 -11.029 16.041 -1.121 1.00 0.00 H new ATOM 1037 N LYS A 65 -8.609 16.516 -5.933 1.00 0.00 N ATOM 1038 CA LYS A 65 -7.347 17.150 -6.296 1.00 0.00 C ATOM 1039 C LYS A 65 -7.583 18.545 -6.867 1.00 0.00 C ATOM 1040 O LYS A 65 -8.645 18.847 -7.413 1.00 0.00 O ATOM 1041 CB LYS A 65 -6.595 16.292 -7.316 1.00 0.00 C ATOM 1042 CG LYS A 65 -6.924 16.633 -8.759 1.00 0.00 C ATOM 1043 CD LYS A 65 -6.155 15.752 -9.729 1.00 0.00 C ATOM 1044 CE LYS A 65 -4.776 16.322 -10.026 1.00 0.00 C ATOM 1045 NZ LYS A 65 -4.309 15.961 -11.393 1.00 0.00 N ATOM 0 H LYS A 65 -8.681 15.535 -6.203 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.744 17.242 -5.393 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.523 16.412 -7.159 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.828 15.242 -7.137 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.994 16.513 -8.927 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.687 17.680 -8.950 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.054 14.751 -9.311 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.717 15.654 -10.658 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.802 17.407 -9.926 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.063 15.951 -9.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.366 16.368 -11.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.259 14.926 -11.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -4.975 16.337 -12.098 1.00 0.00 H new ATOM 1059 N PRO A 66 -6.572 19.417 -6.740 1.00 0.00 N ATOM 1060 CA PRO A 66 -5.304 19.069 -6.091 1.00 0.00 C ATOM 1061 C PRO A 66 -5.456 18.877 -4.586 1.00 0.00 C ATOM 1062 O PRO A 66 -4.490 18.567 -3.888 1.00 0.00 O ATOM 1063 CB PRO A 66 -4.410 20.276 -6.388 1.00 0.00 C ATOM 1064 CG PRO A 66 -5.358 21.407 -6.593 1.00 0.00 C ATOM 1065 CD PRO A 66 -6.588 20.809 -7.219 1.00 0.00 C ATOM 0 HA PRO A 66 -4.904 18.124 -6.459 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.727 20.476 -5.562 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.798 20.107 -7.274 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.598 21.891 -5.646 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.922 22.169 -7.239 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.492 21.331 -6.906 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.550 20.860 -8.307 1.00 0.00 H new ATOM 1073 N LYS A 67 -6.675 19.062 -4.091 1.00 0.00 N ATOM 1074 CA LYS A 67 -6.956 18.907 -2.669 1.00 0.00 C ATOM 1075 C LYS A 67 -6.640 17.489 -2.203 1.00 0.00 C ATOM 1076 O LYS A 67 -7.048 16.513 -2.833 1.00 0.00 O ATOM 1077 CB LYS A 67 -8.422 19.236 -2.378 1.00 0.00 C ATOM 1078 CG LYS A 67 -8.865 20.579 -2.931 1.00 0.00 C ATOM 1079 CD LYS A 67 -8.357 21.729 -2.076 1.00 0.00 C ATOM 1080 CE LYS A 67 -9.191 21.895 -0.815 1.00 0.00 C ATOM 1081 NZ LYS A 67 -8.700 21.029 0.292 1.00 0.00 N ATOM 0 H LYS A 67 -7.485 19.320 -4.655 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.319 19.601 -2.121 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.052 18.453 -2.800 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.581 19.226 -1.300 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.498 20.693 -3.951 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.953 20.613 -2.979 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.317 21.550 -1.805 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.382 22.653 -2.654 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.167 22.938 -0.498 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.231 21.652 -1.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.344 20.221 0.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.747 20.681 0.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.666 21.579 1.174 1.00 0.00 H new ATOM 1095 N TYR A 68 -5.913 17.383 -1.096 1.00 0.00 N ATOM 1096 CA TYR A 68 -5.542 16.084 -0.547 1.00 0.00 C ATOM 1097 C TYR A 68 -6.781 15.287 -0.150 1.00 0.00 C ATOM 1098 O TYR A 68 -7.641 15.778 0.583 1.00 0.00 O ATOM 1099 CB TYR A 68 -4.626 16.262 0.665 1.00 0.00 C ATOM 1100 CG TYR A 68 -4.406 14.989 1.450 1.00 0.00 C ATOM 1101 CD1 TYR A 68 -5.399 14.479 2.276 1.00 0.00 C ATOM 1102 CD2 TYR A 68 -3.204 14.297 1.366 1.00 0.00 C ATOM 1103 CE1 TYR A 68 -5.202 13.316 2.996 1.00 0.00 C ATOM 1104 CE2 TYR A 68 -2.999 13.132 2.081 1.00 0.00 C ATOM 1105 CZ TYR A 68 -4.001 12.646 2.894 1.00 0.00 C ATOM 1106 OH TYR A 68 -3.800 11.488 3.609 1.00 0.00 O ATOM 0 H TYR A 68 -5.569 18.181 -0.561 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.008 15.530 -1.319 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -3.662 16.642 0.328 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -5.053 17.017 1.325 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.341 15.000 2.357 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.417 14.676 0.731 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -5.984 12.934 3.635 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -2.059 12.605 2.003 1.00 0.00 H new ATOM 0 HH TYR A 68 -3.017 11.017 3.255 1.00 0.00 H new ATOM 1116 N LEU A 69 -6.864 14.054 -0.637 1.00 0.00 N ATOM 1117 CA LEU A 69 -7.997 13.186 -0.334 1.00 0.00 C ATOM 1118 C LEU A 69 -7.794 12.473 0.999 1.00 0.00 C ATOM 1119 O LEU A 69 -6.703 11.989 1.296 1.00 0.00 O ATOM 1120 CB LEU A 69 -8.191 12.159 -1.450 1.00 0.00 C ATOM 1121 CG LEU A 69 -9.296 11.126 -1.227 1.00 0.00 C ATOM 1122 CD1 LEU A 69 -10.665 11.753 -1.443 1.00 0.00 C ATOM 1123 CD2 LEU A 69 -9.104 9.931 -2.150 1.00 0.00 C ATOM 0 H LEU A 69 -6.160 13.633 -1.243 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.890 13.807 -0.261 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.403 12.694 -2.376 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.250 11.629 -1.596 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.237 10.777 -0.196 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.439 11.003 -1.280 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.803 12.575 -0.741 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.735 12.131 -2.463 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.900 9.206 -1.977 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.135 10.264 -3.187 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.139 9.466 -1.947 1.00 0.00 H new ATOM 1135 N ASN A 70 -8.854 12.411 1.799 1.00 0.00 N ATOM 1136 CA ASN A 70 -8.793 11.755 3.100 1.00 0.00 C ATOM 1137 C ASN A 70 -9.354 10.338 3.022 1.00 0.00 C ATOM 1138 O ASN A 70 -10.364 10.094 2.363 1.00 0.00 O ATOM 1139 CB ASN A 70 -9.569 12.566 4.140 1.00 0.00 C ATOM 1140 CG ASN A 70 -9.144 14.021 4.173 1.00 0.00 C ATOM 1141 OD1 ASN A 70 -8.229 14.429 3.456 1.00 0.00 O ATOM 1142 ND2 ASN A 70 -9.807 14.813 5.008 1.00 0.00 N ATOM 0 H ASN A 70 -9.765 12.807 1.569 1.00 0.00 H new ATOM 0 HA ASN A 70 -7.747 11.696 3.401 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.635 12.507 3.921 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -9.421 12.125 5.126 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -9.565 15.802 5.074 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -10.558 14.433 5.584 1.00 0.00 H new ATOM 1149 N LYS A 71 -8.691 9.408 3.699 1.00 0.00 N ATOM 1150 CA LYS A 71 -9.122 8.015 3.710 1.00 0.00 C ATOM 1151 C LYS A 71 -10.466 7.867 4.416 1.00 0.00 C ATOM 1152 O LYS A 71 -11.369 7.192 3.920 1.00 0.00 O ATOM 1153 CB LYS A 71 -8.073 7.140 4.399 1.00 0.00 C ATOM 1154 CG LYS A 71 -8.651 5.894 5.049 1.00 0.00 C ATOM 1155 CD LYS A 71 -7.562 5.022 5.651 1.00 0.00 C ATOM 1156 CE LYS A 71 -7.275 5.406 7.094 1.00 0.00 C ATOM 1157 NZ LYS A 71 -6.327 6.551 7.186 1.00 0.00 N ATOM 0 H LYS A 71 -7.852 9.593 4.248 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.236 7.688 2.676 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.323 6.843 3.667 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -7.561 7.731 5.158 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.358 6.183 5.827 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.209 5.321 4.308 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.865 3.976 5.605 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.651 5.116 5.060 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.208 5.667 7.593 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.860 4.548 7.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.773 6.474 8.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.684 6.536 6.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.860 7.444 7.191 1.00 0.00 H new ATOM 1171 N THR A 72 -10.593 8.503 5.576 1.00 0.00 N ATOM 1172 CA THR A 72 -11.827 8.443 6.350 1.00 0.00 C ATOM 1173 C THR A 72 -13.021 8.897 5.518 1.00 0.00 C ATOM 1174 O THR A 72 -14.171 8.651 5.880 1.00 0.00 O ATOM 1175 CB THR A 72 -11.738 9.313 7.618 1.00 0.00 C ATOM 1176 OG1 THR A 72 -10.628 8.897 8.421 1.00 0.00 O ATOM 1177 CG2 THR A 72 -13.021 9.219 8.429 1.00 0.00 C ATOM 0 H THR A 72 -9.856 9.066 6.001 1.00 0.00 H new ATOM 0 HA THR A 72 -11.966 7.402 6.642 1.00 0.00 H new ATOM 0 HB THR A 72 -11.595 10.349 7.312 1.00 0.00 H new ATOM 0 HG1 THR A 72 -10.578 9.456 9.224 1.00 0.00 H new ATOM 0 HG21 THR A 72 -12.935 9.841 9.320 1.00 0.00 H new ATOM 0 HG22 THR A 72 -13.860 9.564 7.825 1.00 0.00 H new ATOM 0 HG23 THR A 72 -13.189 8.184 8.725 1.00 0.00 H new ATOM 1185 N SER A 73 -12.739 9.559 4.400 1.00 0.00 N ATOM 1186 CA SER A 73 -13.791 10.051 3.518 1.00 0.00 C ATOM 1187 C SER A 73 -14.347 8.923 2.654 1.00 0.00 C ATOM 1188 O SER A 73 -15.545 8.871 2.375 1.00 0.00 O ATOM 1189 CB SER A 73 -13.256 11.174 2.627 1.00 0.00 C ATOM 1190 OG SER A 73 -14.312 11.850 1.969 1.00 0.00 O ATOM 0 H SER A 73 -11.792 9.767 4.084 1.00 0.00 H new ATOM 0 HA SER A 73 -14.597 10.442 4.138 1.00 0.00 H new ATOM 0 HB2 SER A 73 -12.687 11.882 3.230 1.00 0.00 H new ATOM 0 HB3 SER A 73 -12.569 10.761 1.889 1.00 0.00 H new ATOM 0 HG SER A 73 -13.944 12.564 1.407 1.00 0.00 H new ATOM 1196 N VAL A 74 -13.467 8.019 2.234 1.00 0.00 N ATOM 1197 CA VAL A 74 -13.868 6.890 1.403 1.00 0.00 C ATOM 1198 C VAL A 74 -14.095 5.641 2.246 1.00 0.00 C ATOM 1199 O VAL A 74 -14.596 4.630 1.753 1.00 0.00 O ATOM 1200 CB VAL A 74 -12.811 6.584 0.325 1.00 0.00 C ATOM 1201 CG1 VAL A 74 -12.580 7.800 -0.558 1.00 0.00 C ATOM 1202 CG2 VAL A 74 -11.510 6.128 0.969 1.00 0.00 C ATOM 0 H VAL A 74 -12.472 8.047 2.456 1.00 0.00 H new ATOM 0 HA VAL A 74 -14.802 7.171 0.916 1.00 0.00 H new ATOM 0 HB VAL A 74 -13.183 5.774 -0.303 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -11.830 7.564 -1.313 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -13.514 8.077 -1.048 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -12.230 8.632 0.053 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -10.775 5.916 0.193 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -11.132 6.915 1.622 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -11.690 5.226 1.554 1.00 0.00 H new ATOM 1212 N ARG A 75 -13.725 5.718 3.520 1.00 0.00 N ATOM 1213 CA ARG A 75 -13.889 4.592 4.432 1.00 0.00 C ATOM 1214 C ARG A 75 -15.313 4.049 4.375 1.00 0.00 C ATOM 1215 O ARG A 75 -15.547 2.884 4.050 1.00 0.00 O ATOM 1216 CB ARG A 75 -13.549 5.015 5.863 1.00 0.00 C ATOM 1217 CG ARG A 75 -12.107 4.736 6.254 1.00 0.00 C ATOM 1218 CD ARG A 75 -11.931 4.733 7.765 1.00 0.00 C ATOM 1219 NE ARG A 75 -12.860 5.644 8.426 1.00 0.00 N ATOM 1220 CZ ARG A 75 -13.080 5.647 9.736 1.00 0.00 C ATOM 1221 NH1 ARG A 75 -12.440 4.791 10.521 1.00 0.00 N ATOM 1222 NH2 ARG A 75 -13.941 6.508 10.264 1.00 0.00 N ATOM 0 H ARG A 75 -13.310 6.548 3.944 1.00 0.00 H new ATOM 0 HA ARG A 75 -13.205 3.802 4.121 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -13.747 6.081 5.975 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -14.211 4.494 6.554 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.799 3.772 5.849 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -11.456 5.491 5.812 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -12.082 3.723 8.145 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -10.908 5.017 8.011 1.00 0.00 H new ATOM 0 HE ARG A 75 -13.368 6.315 7.850 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -11.777 4.128 10.119 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -12.611 4.795 11.527 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -14.435 7.168 9.664 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -14.109 6.509 11.270 1.00 0.00 H new ATOM 1236 N PRO A 76 -16.289 4.910 4.699 1.00 0.00 N ATOM 1237 CA PRO A 76 -17.707 4.539 4.692 1.00 0.00 C ATOM 1238 C PRO A 76 -18.240 4.313 3.282 1.00 0.00 C ATOM 1239 O PRO A 76 -19.011 3.385 3.040 1.00 0.00 O ATOM 1240 CB PRO A 76 -18.393 5.746 5.336 1.00 0.00 C ATOM 1241 CG PRO A 76 -17.472 6.888 5.076 1.00 0.00 C ATOM 1242 CD PRO A 76 -16.083 6.313 5.096 1.00 0.00 C ATOM 0 HA PRO A 76 -17.885 3.600 5.217 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -19.376 5.923 4.899 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -18.542 5.593 6.405 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -17.688 7.352 4.114 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -17.585 7.661 5.836 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -15.422 6.834 4.403 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -15.631 6.389 6.085 1.00 0.00 H new ATOM 1250 N GLY A 77 -17.824 5.168 2.352 1.00 0.00 N ATOM 1251 CA GLY A 77 -18.270 5.044 0.977 1.00 0.00 C ATOM 1252 C GLY A 77 -18.432 3.599 0.548 1.00 0.00 C ATOM 1253 O GLY A 77 -19.391 3.252 -0.143 1.00 0.00 O ATOM 0 H GLY A 77 -17.186 5.944 2.527 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -19.221 5.564 0.858 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -17.553 5.537 0.320 1.00 0.00 H new ATOM 1257 N LEU A 78 -17.492 2.753 0.957 1.00 0.00 N ATOM 1258 CA LEU A 78 -17.533 1.337 0.609 1.00 0.00 C ATOM 1259 C LEU A 78 -17.439 0.467 1.858 1.00 0.00 C ATOM 1260 O LEU A 78 -16.345 0.146 2.323 1.00 0.00 O ATOM 1261 CB LEU A 78 -16.394 0.994 -0.352 1.00 0.00 C ATOM 1262 CG LEU A 78 -16.208 1.942 -1.538 1.00 0.00 C ATOM 1263 CD1 LEU A 78 -14.859 1.710 -2.201 1.00 0.00 C ATOM 1264 CD2 LEU A 78 -17.336 1.766 -2.544 1.00 0.00 C ATOM 0 H LEU A 78 -16.692 3.023 1.530 1.00 0.00 H new ATOM 0 HA LEU A 78 -18.486 1.136 0.119 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -15.463 0.966 0.215 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -16.562 -0.011 -0.739 1.00 0.00 H new ATOM 0 HG LEU A 78 -16.236 2.966 -1.167 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -14.745 2.393 -3.042 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -14.063 1.888 -1.478 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -14.801 0.682 -2.558 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -17.187 2.448 -3.381 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -17.341 0.739 -2.910 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -18.290 1.984 -2.063 1.00 0.00 H new ATOM 1276 N LYS A 79 -18.593 0.086 2.396 1.00 0.00 N ATOM 1277 CA LYS A 79 -18.642 -0.750 3.589 1.00 0.00 C ATOM 1278 C LYS A 79 -18.767 -2.224 3.216 1.00 0.00 C ATOM 1279 O LYS A 79 -17.904 -3.034 3.553 1.00 0.00 O ATOM 1280 CB LYS A 79 -19.817 -0.337 4.479 1.00 0.00 C ATOM 1281 CG LYS A 79 -19.601 0.983 5.197 1.00 0.00 C ATOM 1282 CD LYS A 79 -20.901 1.528 5.765 1.00 0.00 C ATOM 1283 CE LYS A 79 -21.672 2.327 4.725 1.00 0.00 C ATOM 1284 NZ LYS A 79 -22.380 1.441 3.759 1.00 0.00 N ATOM 0 H LYS A 79 -19.507 0.343 2.024 1.00 0.00 H new ATOM 0 HA LYS A 79 -17.711 -0.610 4.138 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -20.717 -0.266 3.868 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -19.994 -1.118 5.218 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -18.880 0.846 6.003 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -19.173 1.709 4.506 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -21.517 0.703 6.122 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -20.686 2.161 6.626 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -22.395 2.971 5.225 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -20.985 2.978 4.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -23.241 1.915 3.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -21.756 1.238 2.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -22.638 0.550 4.230 1.00 0.00 H new ATOM 1298 N ASN A 80 -19.845 -2.563 2.517 1.00 0.00 N ATOM 1299 CA ASN A 80 -20.082 -3.940 2.097 1.00 0.00 C ATOM 1300 C ASN A 80 -18.869 -4.500 1.359 1.00 0.00 C ATOM 1301 O ASN A 80 -18.467 -5.642 1.582 1.00 0.00 O ATOM 1302 CB ASN A 80 -21.319 -4.016 1.201 1.00 0.00 C ATOM 1303 CG ASN A 80 -22.611 -3.929 1.989 1.00 0.00 C ATOM 1304 OD1 ASN A 80 -23.279 -2.895 1.995 1.00 0.00 O ATOM 1305 ND2 ASN A 80 -22.969 -5.017 2.660 1.00 0.00 N ATOM 0 H ASN A 80 -20.568 -1.904 2.229 1.00 0.00 H new ATOM 0 HA ASN A 80 -20.251 -4.542 2.990 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -21.286 -3.206 0.472 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -21.301 -4.951 0.640 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -23.829 -5.018 3.209 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -22.385 -5.852 2.626 1.00 0.00 H new ATOM 1312 N CYS A 81 -18.292 -3.687 0.481 1.00 0.00 N ATOM 1313 CA CYS A 81 -17.125 -4.101 -0.290 1.00 0.00 C ATOM 1314 C CYS A 81 -15.846 -3.519 0.303 1.00 0.00 C ATOM 1315 O CYS A 81 -15.523 -2.353 0.084 1.00 0.00 O ATOM 1316 CB CYS A 81 -17.270 -3.663 -1.748 1.00 0.00 C ATOM 1317 SG CYS A 81 -18.489 -4.613 -2.687 1.00 0.00 S ATOM 0 H CYS A 81 -18.613 -2.739 0.285 1.00 0.00 H new ATOM 0 HA CYS A 81 -17.061 -5.188 -0.249 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -17.548 -2.609 -1.774 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -16.301 -3.749 -2.240 1.00 0.00 H new ATOM 0 HG CYS A 81 -18.541 -4.167 -3.907 1.00 0.00 H new ATOM 1323 N GLY A 82 -15.123 -4.340 1.059 1.00 0.00 N ATOM 1324 CA GLY A 82 -13.889 -3.889 1.674 1.00 0.00 C ATOM 1325 C GLY A 82 -14.049 -3.607 3.155 1.00 0.00 C ATOM 1326 O GLY A 82 -15.142 -3.279 3.617 1.00 0.00 O ATOM 0 H GLY A 82 -15.370 -5.310 1.256 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -13.118 -4.647 1.533 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -13.544 -2.986 1.170 1.00 0.00 H new ATOM 1330 N ASP A 83 -12.958 -3.736 3.901 1.00 0.00 N ATOM 1331 CA ASP A 83 -12.982 -3.493 5.339 1.00 0.00 C ATOM 1332 C ASP A 83 -11.975 -2.414 5.725 1.00 0.00 C ATOM 1333 O ASP A 83 -11.072 -2.088 4.954 1.00 0.00 O ATOM 1334 CB ASP A 83 -12.680 -4.785 6.101 1.00 0.00 C ATOM 1335 CG ASP A 83 -13.146 -4.729 7.542 1.00 0.00 C ATOM 1336 OD1 ASP A 83 -14.373 -4.773 7.771 1.00 0.00 O ATOM 1337 OD2 ASP A 83 -12.284 -4.640 8.442 1.00 0.00 O ATOM 0 H ASP A 83 -12.046 -4.007 3.534 1.00 0.00 H new ATOM 0 HA ASP A 83 -13.980 -3.146 5.607 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -13.164 -5.622 5.598 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.607 -4.976 6.076 1.00 0.00 H new ATOM 1342 N VAL A 84 -12.137 -1.861 6.923 1.00 0.00 N ATOM 1343 CA VAL A 84 -11.243 -0.818 7.411 1.00 0.00 C ATOM 1344 C VAL A 84 -9.783 -1.200 7.195 1.00 0.00 C ATOM 1345 O VAL A 84 -8.931 -0.339 6.982 1.00 0.00 O ATOM 1346 CB VAL A 84 -11.473 -0.538 8.908 1.00 0.00 C ATOM 1347 CG1 VAL A 84 -11.187 -1.782 9.735 1.00 0.00 C ATOM 1348 CG2 VAL A 84 -10.611 0.628 9.370 1.00 0.00 C ATOM 0 H VAL A 84 -12.879 -2.118 7.573 1.00 0.00 H new ATOM 0 HA VAL A 84 -11.467 0.084 6.841 1.00 0.00 H new ATOM 0 HB VAL A 84 -12.519 -0.268 9.052 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -11.355 -1.564 10.790 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.850 -2.588 9.421 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -10.151 -2.086 9.588 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -10.786 0.812 10.430 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.560 0.388 9.212 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -10.869 1.520 8.799 1.00 0.00 H new ATOM 1358 N ASN A 85 -9.503 -2.498 7.250 1.00 0.00 N ATOM 1359 CA ASN A 85 -8.145 -2.995 7.060 1.00 0.00 C ATOM 1360 C ASN A 85 -7.730 -2.899 5.595 1.00 0.00 C ATOM 1361 O ASN A 85 -6.788 -2.184 5.252 1.00 0.00 O ATOM 1362 CB ASN A 85 -8.039 -4.445 7.538 1.00 0.00 C ATOM 1363 CG ASN A 85 -8.024 -4.556 9.050 1.00 0.00 C ATOM 1364 OD1 ASN A 85 -6.964 -4.526 9.676 1.00 0.00 O ATOM 1365 ND2 ASN A 85 -9.205 -4.686 9.645 1.00 0.00 N ATOM 0 H ASN A 85 -10.198 -3.224 7.424 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.472 -2.374 7.651 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -8.878 -5.017 7.143 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -7.130 -4.892 7.135 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -9.258 -4.766 10.660 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -10.058 -4.706 9.086 1.00 0.00 H new ATOM 1372 N CYS A 86 -8.440 -3.623 4.737 1.00 0.00 N ATOM 1373 CA CYS A 86 -8.146 -3.619 3.308 1.00 0.00 C ATOM 1374 C CYS A 86 -8.031 -2.193 2.780 1.00 0.00 C ATOM 1375 O CYS A 86 -7.060 -1.846 2.106 1.00 0.00 O ATOM 1376 CB CYS A 86 -9.232 -4.374 2.541 1.00 0.00 C ATOM 1377 SG CYS A 86 -9.494 -6.070 3.109 1.00 0.00 S ATOM 0 H CYS A 86 -9.223 -4.220 5.005 1.00 0.00 H new ATOM 0 HA CYS A 86 -7.190 -4.120 3.158 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -10.170 -3.825 2.626 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -8.968 -4.393 1.484 1.00 0.00 H new ATOM 0 HG CYS A 86 -10.433 -6.625 2.401 1.00 0.00 H new ATOM 1383 N ILE A 87 -9.028 -1.371 3.089 1.00 0.00 N ATOM 1384 CA ILE A 87 -9.038 0.017 2.645 1.00 0.00 C ATOM 1385 C ILE A 87 -7.690 0.684 2.893 1.00 0.00 C ATOM 1386 O ILE A 87 -7.118 1.305 1.998 1.00 0.00 O ATOM 1387 CB ILE A 87 -10.138 0.828 3.356 1.00 0.00 C ATOM 1388 CG1 ILE A 87 -11.517 0.440 2.818 1.00 0.00 C ATOM 1389 CG2 ILE A 87 -9.894 2.319 3.180 1.00 0.00 C ATOM 1390 CD1 ILE A 87 -12.649 0.769 3.765 1.00 0.00 C ATOM 0 H ILE A 87 -9.839 -1.642 3.645 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.242 0.004 1.574 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.107 0.598 4.421 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -11.686 0.952 1.871 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -11.529 -0.630 2.608 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -10.679 2.879 3.688 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -8.926 2.582 3.607 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -9.901 2.566 2.118 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -13.596 0.467 3.319 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -12.504 0.236 4.705 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -12.664 1.842 3.955 1.00 0.00 H new ATOM 1402 N GLY A 88 -7.185 0.549 4.116 1.00 0.00 N ATOM 1403 CA GLY A 88 -5.906 1.142 4.460 1.00 0.00 C ATOM 1404 C GLY A 88 -4.778 0.640 3.580 1.00 0.00 C ATOM 1405 O GLY A 88 -3.951 1.423 3.113 1.00 0.00 O ATOM 0 H GLY A 88 -7.639 0.040 4.874 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -5.976 2.226 4.372 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -5.675 0.921 5.502 1.00 0.00 H new ATOM 1409 N ARG A 89 -4.744 -0.669 3.355 1.00 0.00 N ATOM 1410 CA ARG A 89 -3.708 -1.275 2.528 1.00 0.00 C ATOM 1411 C ARG A 89 -3.694 -0.656 1.133 1.00 0.00 C ATOM 1412 O ARG A 89 -2.646 -0.240 0.639 1.00 0.00 O ATOM 1413 CB ARG A 89 -3.926 -2.786 2.425 1.00 0.00 C ATOM 1414 CG ARG A 89 -3.478 -3.552 3.659 1.00 0.00 C ATOM 1415 CD ARG A 89 -3.345 -5.039 3.374 1.00 0.00 C ATOM 1416 NE ARG A 89 -2.830 -5.774 4.526 1.00 0.00 N ATOM 1417 CZ ARG A 89 -3.563 -6.080 5.591 1.00 0.00 C ATOM 1418 NH1 ARG A 89 -4.837 -5.718 5.649 1.00 0.00 N ATOM 1419 NH2 ARG A 89 -3.022 -6.751 6.600 1.00 0.00 N ATOM 0 H ARG A 89 -5.422 -1.330 3.734 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.744 -1.085 3.001 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -4.984 -2.981 2.251 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.386 -3.164 1.557 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -2.522 -3.160 4.005 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -4.196 -3.398 4.465 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -4.318 -5.442 3.092 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -2.680 -5.187 2.523 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.854 -6.069 4.512 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -5.257 -5.203 4.875 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -5.398 -5.954 6.468 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.042 -7.032 6.558 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.586 -6.985 7.417 1.00 0.00 H new ATOM 1433 N ILE A 90 -4.863 -0.600 0.505 1.00 0.00 N ATOM 1434 CA ILE A 90 -4.985 -0.032 -0.832 1.00 0.00 C ATOM 1435 C ILE A 90 -4.635 1.453 -0.832 1.00 0.00 C ATOM 1436 O ILE A 90 -3.701 1.881 -1.510 1.00 0.00 O ATOM 1437 CB ILE A 90 -6.408 -0.212 -1.393 1.00 0.00 C ATOM 1438 CG1 ILE A 90 -6.818 -1.685 -1.339 1.00 0.00 C ATOM 1439 CG2 ILE A 90 -6.486 0.313 -2.818 1.00 0.00 C ATOM 1440 CD1 ILE A 90 -8.287 -1.914 -1.617 1.00 0.00 C ATOM 0 H ILE A 90 -5.739 -0.941 0.900 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.282 -0.569 -1.468 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.101 0.362 -0.777 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.228 -2.245 -2.064 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.576 -2.085 -0.354 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.498 0.179 -3.200 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -6.231 1.373 -2.830 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.785 -0.236 -3.447 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -8.506 -2.980 -1.562 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.885 -1.382 -0.877 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.531 -1.545 -2.613 1.00 0.00 H new ATOM 1452 N HIS A 91 -5.390 2.233 -0.065 1.00 0.00 N ATOM 1453 CA HIS A 91 -5.158 3.670 0.026 1.00 0.00 C ATOM 1454 C HIS A 91 -3.682 3.968 0.276 1.00 0.00 C ATOM 1455 O HIS A 91 -3.030 4.644 -0.520 1.00 0.00 O ATOM 1456 CB HIS A 91 -6.009 4.276 1.142 1.00 0.00 C ATOM 1457 CG HIS A 91 -6.221 5.752 1.000 1.00 0.00 C ATOM 1458 ND1 HIS A 91 -5.313 6.689 1.445 1.00 0.00 N ATOM 1459 CD2 HIS A 91 -7.245 6.451 0.457 1.00 0.00 C ATOM 1460 CE1 HIS A 91 -5.769 7.901 1.183 1.00 0.00 C ATOM 1461 NE2 HIS A 91 -6.940 7.784 0.583 1.00 0.00 N ATOM 0 H HIS A 91 -6.167 1.894 0.502 1.00 0.00 H new ATOM 0 HA HIS A 91 -5.445 4.120 -0.924 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -6.978 3.778 1.159 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -5.531 4.077 2.101 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -8.136 6.037 0.008 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -5.270 8.829 1.419 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -7.523 8.558 0.265 1.00 0.00 H new ATOM 1469 N THR A 92 -3.162 3.459 1.389 1.00 0.00 N ATOM 1470 CA THR A 92 -1.765 3.672 1.745 1.00 0.00 C ATOM 1471 C THR A 92 -0.854 3.484 0.537 1.00 0.00 C ATOM 1472 O THR A 92 -0.266 4.443 0.036 1.00 0.00 O ATOM 1473 CB THR A 92 -1.318 2.712 2.865 1.00 0.00 C ATOM 1474 OG1 THR A 92 -1.881 3.123 4.116 1.00 0.00 O ATOM 1475 CG2 THR A 92 0.199 2.675 2.972 1.00 0.00 C ATOM 0 H THR A 92 -3.687 2.897 2.059 1.00 0.00 H new ATOM 0 HA THR A 92 -1.683 4.699 2.102 1.00 0.00 H new ATOM 0 HB THR A 92 -1.673 1.711 2.619 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.756 2.698 4.236 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.491 1.991 3.769 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.622 2.333 2.027 1.00 0.00 H new ATOM 0 HG23 THR A 92 0.572 3.674 3.197 1.00 0.00 H new ATOM 1483 N TYR A 93 -0.742 2.244 0.074 1.00 0.00 N ATOM 1484 CA TYR A 93 0.099 1.931 -1.075 1.00 0.00 C ATOM 1485 C TYR A 93 -0.017 3.012 -2.146 1.00 0.00 C ATOM 1486 O TYR A 93 0.954 3.705 -2.453 1.00 0.00 O ATOM 1487 CB TYR A 93 -0.289 0.573 -1.662 1.00 0.00 C ATOM 1488 CG TYR A 93 0.342 0.292 -3.007 1.00 0.00 C ATOM 1489 CD1 TYR A 93 1.717 0.393 -3.186 1.00 0.00 C ATOM 1490 CD2 TYR A 93 -0.435 -0.073 -4.099 1.00 0.00 C ATOM 1491 CE1 TYR A 93 2.298 0.138 -4.413 1.00 0.00 C ATOM 1492 CE2 TYR A 93 0.138 -0.332 -5.329 1.00 0.00 C ATOM 1493 CZ TYR A 93 1.504 -0.225 -5.481 1.00 0.00 C ATOM 1494 OH TYR A 93 2.079 -0.480 -6.705 1.00 0.00 O ATOM 0 H TYR A 93 -1.223 1.440 0.477 1.00 0.00 H new ATOM 0 HA TYR A 93 1.134 1.891 -0.735 1.00 0.00 H new ATOM 0 HB2 TYR A 93 0.001 -0.212 -0.963 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -1.373 0.526 -1.762 1.00 0.00 H new ATOM 0 HD1 TYR A 93 2.342 0.676 -2.351 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -1.506 -0.156 -3.984 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.368 0.222 -4.535 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -0.481 -0.617 -6.167 1.00 0.00 H new ATOM 0 HH TYR A 93 2.804 -1.130 -6.597 1.00 0.00 H new ATOM 1504 N LEU A 94 -1.211 3.151 -2.710 1.00 0.00 N ATOM 1505 CA LEU A 94 -1.457 4.148 -3.746 1.00 0.00 C ATOM 1506 C LEU A 94 -0.845 5.493 -3.364 1.00 0.00 C ATOM 1507 O LEU A 94 -0.378 6.239 -4.224 1.00 0.00 O ATOM 1508 CB LEU A 94 -2.959 4.307 -3.983 1.00 0.00 C ATOM 1509 CG LEU A 94 -3.696 3.064 -4.482 1.00 0.00 C ATOM 1510 CD1 LEU A 94 -5.140 3.071 -4.005 1.00 0.00 C ATOM 1511 CD2 LEU A 94 -3.633 2.980 -6.000 1.00 0.00 C ATOM 0 H LEU A 94 -2.025 2.586 -2.467 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.985 3.803 -4.666 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.421 4.629 -3.050 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.109 5.109 -4.706 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.204 2.183 -4.069 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.648 2.179 -4.370 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.163 3.081 -2.915 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.645 3.958 -4.387 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.163 2.089 -6.337 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.099 3.865 -6.433 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.592 2.926 -6.318 1.00 0.00 H new ATOM 1523 N GLU A 95 -0.851 5.793 -2.069 1.00 0.00 N ATOM 1524 CA GLU A 95 -0.295 7.047 -1.574 1.00 0.00 C ATOM 1525 C GLU A 95 1.230 7.011 -1.593 1.00 0.00 C ATOM 1526 O GLU A 95 1.884 8.031 -1.815 1.00 0.00 O ATOM 1527 CB GLU A 95 -0.793 7.325 -0.154 1.00 0.00 C ATOM 1528 CG GLU A 95 -0.497 8.735 0.329 1.00 0.00 C ATOM 1529 CD GLU A 95 -1.304 9.113 1.556 1.00 0.00 C ATOM 1530 OE1 GLU A 95 -2.112 8.279 2.015 1.00 0.00 O ATOM 1531 OE2 GLU A 95 -1.126 10.243 2.057 1.00 0.00 O ATOM 0 H GLU A 95 -1.234 5.186 -1.345 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.630 7.849 -2.232 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -1.869 7.155 -0.115 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -0.333 6.612 0.530 1.00 0.00 H new ATOM 0 HG2 GLU A 95 0.565 8.821 0.557 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -0.710 9.442 -0.473 1.00 0.00 H new ATOM 1538 N LEU A 96 1.791 5.830 -1.358 1.00 0.00 N ATOM 1539 CA LEU A 96 3.240 5.660 -1.347 1.00 0.00 C ATOM 1540 C LEU A 96 3.811 5.767 -2.757 1.00 0.00 C ATOM 1541 O LEU A 96 4.873 6.357 -2.964 1.00 0.00 O ATOM 1542 CB LEU A 96 3.610 4.307 -0.736 1.00 0.00 C ATOM 1543 CG LEU A 96 2.993 3.996 0.628 1.00 0.00 C ATOM 1544 CD1 LEU A 96 3.260 2.550 1.017 1.00 0.00 C ATOM 1545 CD2 LEU A 96 3.536 4.944 1.688 1.00 0.00 C ATOM 0 H LEU A 96 1.265 4.976 -1.173 1.00 0.00 H new ATOM 0 HA LEU A 96 3.670 6.456 -0.739 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.315 3.523 -1.433 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.695 4.258 -0.642 1.00 0.00 H new ATOM 0 HG LEU A 96 1.915 4.139 0.559 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.814 2.347 1.990 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.823 1.886 0.271 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.335 2.380 1.068 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.086 4.708 2.652 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.618 4.833 1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.293 5.971 1.416 1.00 0.00 H new ATOM 1557 N ILE A 97 3.100 5.196 -3.723 1.00 0.00 N ATOM 1558 CA ILE A 97 3.535 5.230 -5.114 1.00 0.00 C ATOM 1559 C ILE A 97 3.359 6.623 -5.711 1.00 0.00 C ATOM 1560 O ILE A 97 4.048 6.995 -6.659 1.00 0.00 O ATOM 1561 CB ILE A 97 2.759 4.214 -5.972 1.00 0.00 C ATOM 1562 CG1 ILE A 97 1.259 4.315 -5.688 1.00 0.00 C ATOM 1563 CG2 ILE A 97 3.261 2.803 -5.705 1.00 0.00 C ATOM 1564 CD1 ILE A 97 0.406 3.542 -6.670 1.00 0.00 C ATOM 0 H ILE A 97 2.220 4.704 -3.568 1.00 0.00 H new ATOM 0 HA ILE A 97 4.592 4.965 -5.120 1.00 0.00 H new ATOM 0 HB ILE A 97 2.927 4.445 -7.024 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.062 3.948 -4.681 1.00 0.00 H new ATOM 0 HG13 ILE A 97 0.963 5.364 -5.709 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.703 2.096 -6.319 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.321 2.741 -5.953 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.120 2.560 -4.652 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.646 3.658 -6.408 1.00 0.00 H new ATOM 0 HD12 ILE A 97 0.574 3.924 -7.677 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.675 2.486 -6.633 1.00 0.00 H new ATOM 1576 N GLY A 98 2.431 7.389 -5.146 1.00 0.00 N ATOM 1577 CA GLY A 98 2.181 8.733 -5.634 1.00 0.00 C ATOM 1578 C GLY A 98 0.894 8.832 -6.428 1.00 0.00 C ATOM 1579 O GLY A 98 0.301 9.905 -6.532 1.00 0.00 O ATOM 0 H GLY A 98 1.848 7.103 -4.359 1.00 0.00 H new ATOM 0 HA2 GLY A 98 2.137 9.420 -4.789 1.00 0.00 H new ATOM 0 HA3 GLY A 98 3.015 9.050 -6.260 1.00 0.00 H new ATOM 1583 N ALA A 99 0.462 7.709 -6.993 1.00 0.00 N ATOM 1584 CA ALA A 99 -0.763 7.673 -7.782 1.00 0.00 C ATOM 1585 C ALA A 99 -1.807 8.631 -7.218 1.00 0.00 C ATOM 1586 O ALA A 99 -2.550 9.265 -7.968 1.00 0.00 O ATOM 1587 CB ALA A 99 -1.317 6.257 -7.834 1.00 0.00 C ATOM 0 H ALA A 99 0.942 6.812 -6.919 1.00 0.00 H new ATOM 0 HA ALA A 99 -0.522 7.994 -8.795 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -2.232 6.246 -8.427 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -0.581 5.595 -8.290 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.536 5.914 -6.823 1.00 0.00 H new ATOM 1593 N ILE A 100 -1.859 8.730 -5.894 1.00 0.00 N ATOM 1594 CA ILE A 100 -2.812 9.611 -5.231 1.00 0.00 C ATOM 1595 C ILE A 100 -2.116 10.506 -4.211 1.00 0.00 C ATOM 1596 O ILE A 100 -1.115 10.118 -3.611 1.00 0.00 O ATOM 1597 CB ILE A 100 -3.920 8.810 -4.523 1.00 0.00 C ATOM 1598 CG1 ILE A 100 -3.315 7.887 -3.463 1.00 0.00 C ATOM 1599 CG2 ILE A 100 -4.724 8.008 -5.535 1.00 0.00 C ATOM 1600 CD1 ILE A 100 -4.256 7.580 -2.320 1.00 0.00 C ATOM 0 H ILE A 100 -1.252 8.211 -5.259 1.00 0.00 H new ATOM 0 HA ILE A 100 -3.262 10.230 -6.007 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.593 9.510 -4.027 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -3.014 6.952 -3.936 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.411 8.348 -3.065 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.503 7.447 -5.019 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.182 8.686 -6.256 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -4.064 7.315 -6.057 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.760 6.921 -1.607 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.538 8.507 -1.821 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -5.150 7.090 -2.706 1.00 0.00 H new ATOM 1612 N ASN A 101 -2.656 11.705 -4.019 1.00 0.00 N ATOM 1613 CA ASN A 101 -2.088 12.656 -3.070 1.00 0.00 C ATOM 1614 C ASN A 101 -0.583 12.801 -3.280 1.00 0.00 C ATOM 1615 O ASN A 101 0.195 12.749 -2.327 1.00 0.00 O ATOM 1616 CB ASN A 101 -2.373 12.208 -1.635 1.00 0.00 C ATOM 1617 CG ASN A 101 -3.843 11.916 -1.402 1.00 0.00 C ATOM 1618 OD1 ASN A 101 -4.714 12.530 -2.016 1.00 0.00 O ATOM 1619 ND2 ASN A 101 -4.124 10.973 -0.510 1.00 0.00 N ATOM 0 H ASN A 101 -3.486 12.041 -4.508 1.00 0.00 H new ATOM 0 HA ASN A 101 -2.556 13.625 -3.241 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -1.788 11.315 -1.413 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -2.045 12.984 -0.943 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -5.095 10.732 -0.311 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -3.369 10.489 -0.024 1.00 0.00 H new ATOM 1626 N PHE A 102 -0.181 12.983 -4.533 1.00 0.00 N ATOM 1627 CA PHE A 102 1.230 13.135 -4.869 1.00 0.00 C ATOM 1628 C PHE A 102 1.768 14.471 -4.364 1.00 0.00 C ATOM 1629 O PHE A 102 1.053 15.472 -4.340 1.00 0.00 O ATOM 1630 CB PHE A 102 1.430 13.031 -6.382 1.00 0.00 C ATOM 1631 CG PHE A 102 2.837 13.316 -6.822 1.00 0.00 C ATOM 1632 CD1 PHE A 102 3.876 12.476 -6.454 1.00 0.00 C ATOM 1633 CD2 PHE A 102 3.122 14.425 -7.602 1.00 0.00 C ATOM 1634 CE1 PHE A 102 5.172 12.735 -6.857 1.00 0.00 C ATOM 1635 CE2 PHE A 102 4.416 14.689 -8.009 1.00 0.00 C ATOM 1636 CZ PHE A 102 5.443 13.844 -7.635 1.00 0.00 C ATOM 0 H PHE A 102 -0.812 13.029 -5.333 1.00 0.00 H new ATOM 0 HA PHE A 102 1.783 12.332 -4.381 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.152 12.029 -6.709 1.00 0.00 H new ATOM 0 HB3 PHE A 102 0.755 13.728 -6.878 1.00 0.00 H new ATOM 0 HD1 PHE A 102 3.670 11.608 -5.845 1.00 0.00 H new ATOM 0 HD2 PHE A 102 2.324 15.091 -7.895 1.00 0.00 H new ATOM 0 HE1 PHE A 102 5.972 12.071 -6.564 1.00 0.00 H new ATOM 0 HE2 PHE A 102 4.624 15.555 -8.619 1.00 0.00 H new ATOM 0 HZ PHE A 102 6.455 14.050 -7.950 1.00 0.00 H new ATOM 1646 N GLY A 103 3.035 14.477 -3.960 1.00 0.00 N ATOM 1647 CA GLY A 103 3.648 15.693 -3.460 1.00 0.00 C ATOM 1648 C GLY A 103 2.732 16.464 -2.530 1.00 0.00 C ATOM 1649 O GLY A 103 2.049 17.397 -2.953 1.00 0.00 O ATOM 0 H GLY A 103 3.647 13.661 -3.970 1.00 0.00 H new ATOM 0 HA2 GLY A 103 4.568 15.442 -2.933 1.00 0.00 H new ATOM 0 HA3 GLY A 103 3.926 16.329 -4.301 1.00 0.00 H new ATOM 1653 N CYS A 104 2.717 16.074 -1.260 1.00 0.00 N ATOM 1654 CA CYS A 104 1.876 16.734 -0.268 1.00 0.00 C ATOM 1655 C CYS A 104 2.435 16.535 1.137 1.00 0.00 C ATOM 1656 O CYS A 104 2.631 15.405 1.583 1.00 0.00 O ATOM 1657 CB CYS A 104 0.446 16.196 -0.342 1.00 0.00 C ATOM 1658 SG CYS A 104 -0.543 16.910 -1.677 1.00 0.00 S ATOM 0 H CYS A 104 3.277 15.305 -0.893 1.00 0.00 H new ATOM 0 HA CYS A 104 1.866 17.802 -0.488 1.00 0.00 H new ATOM 0 HB2 CYS A 104 0.482 15.114 -0.470 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -0.053 16.388 0.608 1.00 0.00 H new ATOM 0 HG CYS A 104 0.245 17.354 -2.611 1.00 0.00 H new ATOM 1664 N GLU A 105 2.690 17.641 1.830 1.00 0.00 N ATOM 1665 CA GLU A 105 3.229 17.586 3.184 1.00 0.00 C ATOM 1666 C GLU A 105 2.316 16.777 4.101 1.00 0.00 C ATOM 1667 O GLU A 105 2.737 16.315 5.161 1.00 0.00 O ATOM 1668 CB GLU A 105 3.408 19.000 3.742 1.00 0.00 C ATOM 1669 CG GLU A 105 2.104 19.766 3.888 1.00 0.00 C ATOM 1670 CD GLU A 105 2.238 20.978 4.790 1.00 0.00 C ATOM 1671 OE1 GLU A 105 2.326 20.794 6.022 1.00 0.00 O ATOM 1672 OE2 GLU A 105 2.254 22.110 4.263 1.00 0.00 O ATOM 0 H GLU A 105 2.532 18.585 1.476 1.00 0.00 H new ATOM 0 HA GLU A 105 4.200 17.093 3.142 1.00 0.00 H new ATOM 0 HB2 GLU A 105 3.894 18.939 4.715 1.00 0.00 H new ATOM 0 HB3 GLU A 105 4.076 19.558 3.086 1.00 0.00 H new ATOM 0 HG2 GLU A 105 1.763 20.086 2.904 1.00 0.00 H new ATOM 0 HG3 GLU A 105 1.339 19.101 4.290 1.00 0.00 H new ATOM 1679 N GLN A 106 1.065 16.611 3.684 1.00 0.00 N ATOM 1680 CA GLN A 106 0.092 15.859 4.468 1.00 0.00 C ATOM 1681 C GLN A 106 -0.012 14.421 3.972 1.00 0.00 C ATOM 1682 O GLN A 106 -1.075 13.805 4.043 1.00 0.00 O ATOM 1683 CB GLN A 106 -1.279 16.534 4.402 1.00 0.00 C ATOM 1684 CG GLN A 106 -1.747 16.824 2.985 1.00 0.00 C ATOM 1685 CD GLN A 106 -1.294 18.182 2.487 1.00 0.00 C ATOM 1686 OE1 GLN A 106 -0.538 18.883 3.160 1.00 0.00 O ATOM 1687 NE2 GLN A 106 -1.756 18.562 1.301 1.00 0.00 N ATOM 0 H GLN A 106 0.701 16.987 2.808 1.00 0.00 H new ATOM 0 HA GLN A 106 0.432 15.843 5.504 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -2.013 15.896 4.895 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -1.242 17.468 4.962 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -1.368 16.051 2.316 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -2.835 16.772 2.948 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -2.381 17.949 0.777 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -1.486 19.466 0.914 1.00 0.00 H new ATOM 1696 N ALA A 107 1.099 13.892 3.469 1.00 0.00 N ATOM 1697 CA ALA A 107 1.133 12.525 2.962 1.00 0.00 C ATOM 1698 C ALA A 107 1.390 11.529 4.088 1.00 0.00 C ATOM 1699 O ALA A 107 1.491 11.908 5.255 1.00 0.00 O ATOM 1700 CB ALA A 107 2.195 12.389 1.882 1.00 0.00 C ATOM 0 H ALA A 107 1.987 14.389 3.402 1.00 0.00 H new ATOM 0 HA ALA A 107 0.159 12.300 2.528 1.00 0.00 H new ATOM 0 HB1 ALA A 107 2.209 11.364 1.513 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.967 13.068 1.060 1.00 0.00 H new ATOM 0 HB3 ALA A 107 3.171 12.638 2.298 1.00 0.00 H new ATOM 1706 N VAL A 108 1.493 10.253 3.730 1.00 0.00 N ATOM 1707 CA VAL A 108 1.739 9.202 4.710 1.00 0.00 C ATOM 1708 C VAL A 108 3.220 8.845 4.774 1.00 0.00 C ATOM 1709 O VAL A 108 3.614 7.910 5.471 1.00 0.00 O ATOM 1710 CB VAL A 108 0.930 7.932 4.386 1.00 0.00 C ATOM 1711 CG1 VAL A 108 1.299 7.400 3.010 1.00 0.00 C ATOM 1712 CG2 VAL A 108 1.152 6.872 5.454 1.00 0.00 C ATOM 0 H VAL A 108 1.410 9.922 2.769 1.00 0.00 H new ATOM 0 HA VAL A 108 1.420 9.591 5.677 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.129 8.190 4.377 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.717 6.503 2.799 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.083 8.158 2.257 1.00 0.00 H new ATOM 0 HG13 VAL A 108 2.361 7.158 2.987 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.573 5.982 5.209 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.211 6.616 5.498 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.832 7.258 6.422 1.00 0.00 H new ATOM 1722 N TYR A 109 4.035 9.596 4.043 1.00 0.00 N ATOM 1723 CA TYR A 109 5.474 9.358 4.014 1.00 0.00 C ATOM 1724 C TYR A 109 6.236 10.564 4.554 1.00 0.00 C ATOM 1725 O TYR A 109 7.215 10.417 5.285 1.00 0.00 O ATOM 1726 CB TYR A 109 5.932 9.047 2.588 1.00 0.00 C ATOM 1727 CG TYR A 109 5.169 9.807 1.527 1.00 0.00 C ATOM 1728 CD1 TYR A 109 3.958 9.332 1.040 1.00 0.00 C ATOM 1729 CD2 TYR A 109 5.658 11.002 1.013 1.00 0.00 C ATOM 1730 CE1 TYR A 109 3.258 10.023 0.070 1.00 0.00 C ATOM 1731 CE2 TYR A 109 4.964 11.700 0.045 1.00 0.00 C ATOM 1732 CZ TYR A 109 3.764 11.206 -0.424 1.00 0.00 C ATOM 1733 OH TYR A 109 3.069 11.898 -1.389 1.00 0.00 O ATOM 0 H TYR A 109 3.725 10.375 3.462 1.00 0.00 H new ATOM 0 HA TYR A 109 5.688 8.501 4.652 1.00 0.00 H new ATOM 0 HB2 TYR A 109 6.993 9.280 2.497 1.00 0.00 H new ATOM 0 HB3 TYR A 109 5.824 7.978 2.406 1.00 0.00 H new ATOM 0 HD1 TYR A 109 3.557 8.407 1.426 1.00 0.00 H new ATOM 0 HD2 TYR A 109 6.597 11.391 1.377 1.00 0.00 H new ATOM 0 HE1 TYR A 109 2.319 9.638 -0.299 1.00 0.00 H new ATOM 0 HE2 TYR A 109 5.358 12.628 -0.343 1.00 0.00 H new ATOM 0 HH TYR A 109 2.109 11.849 -1.199 1.00 0.00 H new ATOM 1743 N ASN A 110 5.779 11.757 4.188 1.00 0.00 N ATOM 1744 CA ASN A 110 6.417 12.990 4.636 1.00 0.00 C ATOM 1745 C ASN A 110 6.381 13.100 6.157 1.00 0.00 C ATOM 1746 O ASN A 110 7.334 13.573 6.777 1.00 0.00 O ATOM 1747 CB ASN A 110 5.725 14.203 4.009 1.00 0.00 C ATOM 1748 CG ASN A 110 6.327 14.584 2.670 1.00 0.00 C ATOM 1749 OD1 ASN A 110 7.338 15.285 2.608 1.00 0.00 O ATOM 1750 ND2 ASN A 110 5.707 14.123 1.590 1.00 0.00 N ATOM 0 H ASN A 110 4.970 11.896 3.583 1.00 0.00 H new ATOM 0 HA ASN A 110 7.459 12.968 4.316 1.00 0.00 H new ATOM 0 HB2 ASN A 110 4.665 13.986 3.879 1.00 0.00 H new ATOM 0 HB3 ASN A 110 5.796 15.051 4.691 1.00 0.00 H new ATOM 0 HD21 ASN A 110 6.066 14.346 0.662 1.00 0.00 H new ATOM 0 HD22 ASN A 110 4.872 13.545 1.689 1.00 0.00 H new ATOM 1757 N ARG A 111 5.277 12.660 6.751 1.00 0.00 N ATOM 1758 CA ARG A 111 5.117 12.709 8.199 1.00 0.00 C ATOM 1759 C ARG A 111 5.837 11.541 8.866 1.00 0.00 C ATOM 1760 O ARG A 111 5.966 11.495 10.089 1.00 0.00 O ATOM 1761 CB ARG A 111 3.634 12.687 8.571 1.00 0.00 C ATOM 1762 CG ARG A 111 2.897 11.458 8.065 1.00 0.00 C ATOM 1763 CD ARG A 111 2.959 10.319 9.071 1.00 0.00 C ATOM 1764 NE ARG A 111 2.009 10.503 10.165 1.00 0.00 N ATOM 1765 CZ ARG A 111 0.713 10.230 10.067 1.00 0.00 C ATOM 1766 NH1 ARG A 111 0.214 9.763 8.930 1.00 0.00 N ATOM 1767 NH2 ARG A 111 -0.088 10.424 11.107 1.00 0.00 N ATOM 0 H ARG A 111 4.480 12.265 6.252 1.00 0.00 H new ATOM 0 HA ARG A 111 5.560 13.638 8.556 1.00 0.00 H new ATOM 0 HB2 ARG A 111 3.540 12.736 9.656 1.00 0.00 H new ATOM 0 HB3 ARG A 111 3.154 13.579 8.169 1.00 0.00 H new ATOM 0 HG2 ARG A 111 1.856 11.713 7.866 1.00 0.00 H new ATOM 0 HG3 ARG A 111 3.333 11.134 7.120 1.00 0.00 H new ATOM 0 HD2 ARG A 111 2.751 9.376 8.565 1.00 0.00 H new ATOM 0 HD3 ARG A 111 3.969 10.247 9.476 1.00 0.00 H new ATOM 0 HE ARG A 111 2.360 10.861 11.053 1.00 0.00 H new ATOM 0 HH11 ARG A 111 0.826 9.613 8.128 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -0.782 9.554 8.858 1.00 0.00 H new ATOM 0 HH21 ARG A 111 0.291 10.783 11.983 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -1.083 10.214 11.030 1.00 0.00 H new