USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 637 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 4:sc= -0.0417 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -3.66! C(o=-3.7!,f=-5.1!) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.205 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.234 X(o=-0.23,f=-0.64) USER MOD Single : A 36 TYR OH : rot -60:sc= -1.4 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -3.96 X(o=-4,f=-4.4!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -5.79! C(o=-5.8!,f=-3.6!) USER MOD Single : A 65 SER OG : rot 180:sc= 0.0512 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.936 USER MOD Single : A 71 HIS : no HE2:sc= -13.5! C(o=-14!,f=-14!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -2.92! C(o=-2.9!,f=-6.1!) USER MOD Single : A 77 THR OG1 : rot -7:sc= -3.02 USER MOD Single : A 80 ASN : amide:sc= -2.56 K(o=-2.6,f=-1.8) USER MOD Single : A 81 THR OG1 : rot -90:sc= -0.0273 USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 86 HIS : no HD1:sc= -0.207 X(o=-0.21,f=-0.2) USER MOD Single : A 91 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.179) USER MOD ----------------------------------------------------------------- ATOM 72 N ILE A 6 -11.522 -1.966 -5.752 1.00 15.00 N ATOM 73 CA ILE A 6 -10.079 -2.014 -5.901 1.00 15.00 C ATOM 74 C ILE A 6 -9.557 -0.775 -6.621 1.00 15.00 C ATOM 75 O ILE A 6 -10.144 -0.324 -7.604 1.00 15.00 O ATOM 76 CB ILE A 6 -9.665 -3.278 -6.683 1.00 15.00 C ATOM 77 CG1 ILE A 6 -9.251 -4.389 -5.718 1.00 15.00 C ATOM 78 CG2 ILE A 6 -8.537 -2.975 -7.667 1.00 15.00 C ATOM 79 CD1 ILE A 6 -10.366 -4.837 -4.799 1.00 15.00 C ATOM 0 HA ILE A 6 -9.642 -2.044 -4.903 1.00 15.00 H new ATOM 0 HB ILE A 6 -10.527 -3.616 -7.258 1.00 15.00 H new ATOM 0 HG12 ILE A 6 -8.898 -5.246 -6.292 1.00 15.00 H new ATOM 0 HG13 ILE A 6 -8.412 -4.042 -5.115 1.00 15.00 H new ATOM 0 HG21 ILE A 6 -8.267 -3.885 -8.203 1.00 15.00 H new ATOM 0 HG22 ILE A 6 -8.869 -2.219 -8.379 1.00 15.00 H new ATOM 0 HG23 ILE A 6 -7.669 -2.604 -7.122 1.00 15.00 H new ATOM 0 HD11 ILE A 6 -10.001 -5.627 -4.142 1.00 15.00 H new ATOM 0 HD12 ILE A 6 -10.704 -3.993 -4.198 1.00 15.00 H new ATOM 0 HD13 ILE A 6 -11.198 -5.215 -5.393 1.00 15.00 H new ATOM 91 N PHE A 7 -8.439 -0.243 -6.140 1.00 15.00 N ATOM 92 CA PHE A 7 -7.834 0.927 -6.761 1.00 15.00 C ATOM 93 C PHE A 7 -6.311 0.820 -6.755 1.00 15.00 C ATOM 94 O PHE A 7 -5.716 0.300 -5.811 1.00 15.00 O ATOM 95 CB PHE A 7 -8.292 2.212 -6.062 1.00 15.00 C ATOM 96 CG PHE A 7 -7.614 2.478 -4.747 1.00 15.00 C ATOM 97 CD1 PHE A 7 -6.346 3.038 -4.707 1.00 15.00 C ATOM 98 CD2 PHE A 7 -8.248 2.178 -3.552 1.00 15.00 C ATOM 99 CE1 PHE A 7 -5.725 3.293 -3.500 1.00 15.00 C ATOM 100 CE2 PHE A 7 -7.632 2.432 -2.342 1.00 15.00 C ATOM 101 CZ PHE A 7 -6.369 2.991 -2.316 1.00 15.00 C ATOM 0 H PHE A 7 -7.937 -0.601 -5.328 1.00 15.00 H new ATOM 0 HA PHE A 7 -8.166 0.968 -7.799 1.00 15.00 H new ATOM 0 HB2 PHE A 7 -8.113 3.057 -6.727 1.00 15.00 H new ATOM 0 HB3 PHE A 7 -9.368 2.158 -5.898 1.00 15.00 H new ATOM 0 HD1 PHE A 7 -5.839 3.277 -5.630 1.00 15.00 H new ATOM 0 HD2 PHE A 7 -9.235 1.740 -3.567 1.00 15.00 H new ATOM 0 HE1 PHE A 7 -4.737 3.728 -3.482 1.00 15.00 H new ATOM 0 HE2 PHE A 7 -8.137 2.194 -1.418 1.00 15.00 H new ATOM 0 HZ PHE A 7 -5.886 3.192 -1.371 1.00 15.00 H new ATOM 111 N GLU A 8 -5.689 1.308 -7.824 1.00 15.00 N ATOM 112 CA GLU A 8 -4.238 1.262 -7.960 1.00 15.00 C ATOM 113 C GLU A 8 -3.622 2.649 -7.846 1.00 15.00 C ATOM 114 O GLU A 8 -4.171 3.636 -8.337 1.00 15.00 O ATOM 115 CB GLU A 8 -3.858 0.644 -9.301 1.00 15.00 C ATOM 116 CG GLU A 8 -4.528 1.312 -10.483 1.00 15.00 C ATOM 117 CD GLU A 8 -5.505 0.398 -11.197 1.00 15.00 C ATOM 118 OE1 GLU A 8 -5.245 -0.822 -11.248 1.00 15.00 O ATOM 119 OE2 GLU A 8 -6.528 0.903 -11.704 1.00 15.00 O ATOM 0 H GLU A 8 -6.170 1.742 -8.612 1.00 15.00 H new ATOM 0 HA GLU A 8 -3.848 0.648 -7.148 1.00 15.00 H new ATOM 0 HB2 GLU A 8 -2.777 0.702 -9.426 1.00 15.00 H new ATOM 0 HB3 GLU A 8 -4.122 -0.413 -9.293 1.00 15.00 H new ATOM 0 HG2 GLU A 8 -5.054 2.203 -10.141 1.00 15.00 H new ATOM 0 HG3 GLU A 8 -3.765 1.643 -11.188 1.00 15.00 H new ATOM 126 N VAL A 9 -2.466 2.699 -7.205 1.00 15.00 N ATOM 127 CA VAL A 9 -1.728 3.941 -7.020 1.00 15.00 C ATOM 128 C VAL A 9 -0.584 4.015 -8.019 1.00 15.00 C ATOM 129 O VAL A 9 0.340 3.204 -7.982 1.00 15.00 O ATOM 130 CB VAL A 9 -1.186 4.087 -5.571 1.00 15.00 C ATOM 131 CG1 VAL A 9 -1.123 2.738 -4.868 1.00 15.00 C ATOM 132 CG2 VAL A 9 0.183 4.758 -5.553 1.00 15.00 C ATOM 0 H VAL A 9 -2.012 1.881 -6.798 1.00 15.00 H new ATOM 0 HA VAL A 9 -2.419 4.766 -7.193 1.00 15.00 H new ATOM 0 HB VAL A 9 -1.884 4.725 -5.029 1.00 15.00 H new ATOM 0 HG11 VAL A 9 -0.740 2.872 -3.856 1.00 15.00 H new ATOM 0 HG12 VAL A 9 -2.122 2.304 -4.823 1.00 15.00 H new ATOM 0 HG13 VAL A 9 -0.462 2.070 -5.420 1.00 15.00 H new ATOM 0 HG21 VAL A 9 0.532 4.844 -4.524 1.00 15.00 H new ATOM 0 HG22 VAL A 9 0.890 4.159 -6.127 1.00 15.00 H new ATOM 0 HG23 VAL A 9 0.107 5.752 -5.995 1.00 15.00 H new ATOM 142 N GLU A 10 -0.663 4.979 -8.921 1.00 15.00 N ATOM 143 CA GLU A 10 0.355 5.143 -9.944 1.00 15.00 C ATOM 144 C GLU A 10 1.256 6.341 -9.664 1.00 15.00 C ATOM 145 O GLU A 10 1.196 7.354 -10.362 1.00 15.00 O ATOM 146 CB GLU A 10 -0.309 5.287 -11.307 1.00 15.00 C ATOM 147 CG GLU A 10 0.672 5.473 -12.453 1.00 15.00 C ATOM 148 CD GLU A 10 0.212 6.518 -13.451 1.00 15.00 C ATOM 149 OE1 GLU A 10 -0.120 7.643 -13.022 1.00 15.00 O ATOM 150 OE2 GLU A 10 0.182 6.211 -14.661 1.00 15.00 O ATOM 0 H GLU A 10 -1.421 5.660 -8.965 1.00 15.00 H new ATOM 0 HA GLU A 10 0.987 4.255 -9.936 1.00 15.00 H new ATOM 0 HB2 GLU A 10 -0.915 4.402 -11.500 1.00 15.00 H new ATOM 0 HB3 GLU A 10 -0.988 6.139 -11.281 1.00 15.00 H new ATOM 0 HG2 GLU A 10 1.643 5.762 -12.052 1.00 15.00 H new ATOM 0 HG3 GLU A 10 0.810 4.521 -12.966 1.00 15.00 H new ATOM 157 N LEU A 11 2.104 6.211 -8.652 1.00 15.00 N ATOM 158 CA LEU A 11 3.034 7.275 -8.296 1.00 15.00 C ATOM 159 C LEU A 11 4.321 7.123 -9.098 1.00 15.00 C ATOM 160 O LEU A 11 4.560 6.079 -9.698 1.00 15.00 O ATOM 161 CB LEU A 11 3.342 7.240 -6.797 1.00 15.00 C ATOM 162 CG LEU A 11 3.444 8.609 -6.121 1.00 15.00 C ATOM 163 CD1 LEU A 11 2.123 9.357 -6.214 1.00 15.00 C ATOM 164 CD2 LEU A 11 3.867 8.453 -4.668 1.00 15.00 C ATOM 0 H LEU A 11 2.167 5.380 -8.064 1.00 15.00 H new ATOM 0 HA LEU A 11 2.575 8.235 -8.531 1.00 15.00 H new ATOM 0 HB2 LEU A 11 2.565 6.662 -6.296 1.00 15.00 H new ATOM 0 HB3 LEU A 11 4.281 6.708 -6.648 1.00 15.00 H new ATOM 0 HG LEU A 11 4.203 9.192 -6.643 1.00 15.00 H new ATOM 0 HD11 LEU A 11 2.219 10.327 -5.727 1.00 15.00 H new ATOM 0 HD12 LEU A 11 1.860 9.502 -7.262 1.00 15.00 H new ATOM 0 HD13 LEU A 11 1.342 8.779 -5.720 1.00 15.00 H new ATOM 0 HD21 LEU A 11 3.935 9.436 -4.201 1.00 15.00 H new ATOM 0 HD22 LEU A 11 3.131 7.849 -4.137 1.00 15.00 H new ATOM 0 HD23 LEU A 11 4.839 7.962 -4.623 1.00 15.00 H new ATOM 176 N ALA A 12 5.148 8.161 -9.111 1.00 15.00 N ATOM 177 CA ALA A 12 6.405 8.113 -9.850 1.00 15.00 C ATOM 178 C ALA A 12 7.556 7.696 -8.945 1.00 15.00 C ATOM 179 O ALA A 12 8.165 8.528 -8.272 1.00 15.00 O ATOM 180 CB ALA A 12 6.701 9.456 -10.496 1.00 15.00 C ATOM 0 H ALA A 12 4.974 9.040 -8.623 1.00 15.00 H new ATOM 0 HA ALA A 12 6.301 7.365 -10.636 1.00 15.00 H new ATOM 0 HB1 ALA A 12 7.643 9.398 -11.042 1.00 15.00 H new ATOM 0 HB2 ALA A 12 5.897 9.713 -11.186 1.00 15.00 H new ATOM 0 HB3 ALA A 12 6.776 10.222 -9.724 1.00 15.00 H new ATOM 186 N LYS A 13 7.849 6.401 -8.936 1.00 15.00 N ATOM 187 CA LYS A 13 8.928 5.864 -8.117 1.00 15.00 C ATOM 188 C LYS A 13 10.240 6.594 -8.398 1.00 15.00 C ATOM 189 O LYS A 13 11.100 6.711 -7.524 1.00 15.00 O ATOM 190 CB LYS A 13 9.084 4.364 -8.382 1.00 15.00 C ATOM 191 CG LYS A 13 9.555 3.577 -7.172 1.00 15.00 C ATOM 192 CD LYS A 13 10.931 4.025 -6.713 1.00 15.00 C ATOM 193 CE LYS A 13 10.846 4.867 -5.450 1.00 15.00 C ATOM 194 NZ LYS A 13 12.194 5.188 -4.905 1.00 15.00 N ATOM 0 H LYS A 13 7.353 5.702 -9.488 1.00 15.00 H new ATOM 0 HA LYS A 13 8.676 6.016 -7.067 1.00 15.00 H new ATOM 0 HB2 LYS A 13 8.128 3.962 -8.717 1.00 15.00 H new ATOM 0 HB3 LYS A 13 9.793 4.220 -9.197 1.00 15.00 H new ATOM 0 HG2 LYS A 13 8.841 3.700 -6.357 1.00 15.00 H new ATOM 0 HG3 LYS A 13 9.580 2.515 -7.416 1.00 15.00 H new ATOM 0 HD2 LYS A 13 11.557 3.152 -6.529 1.00 15.00 H new ATOM 0 HD3 LYS A 13 11.411 4.601 -7.504 1.00 15.00 H new ATOM 0 HE2 LYS A 13 10.312 5.792 -5.666 1.00 15.00 H new ATOM 0 HE3 LYS A 13 10.267 4.333 -4.696 1.00 15.00 H new ATOM 0 HZ1 LYS A 13 12.093 5.763 -4.044 1.00 15.00 H new ATOM 0 HZ2 LYS A 13 12.695 4.306 -4.675 1.00 15.00 H new ATOM 0 HZ3 LYS A 13 12.738 5.720 -5.614 1.00 15.00 H new ATOM 259 N LEU A 18 8.618 6.979 -1.636 1.00 15.00 N ATOM 260 CA LEU A 18 7.343 7.082 -0.949 1.00 15.00 C ATOM 261 C LEU A 18 7.506 7.792 0.390 1.00 15.00 C ATOM 262 O LEU A 18 8.576 8.314 0.702 1.00 15.00 O ATOM 263 CB LEU A 18 6.722 5.695 -0.738 1.00 15.00 C ATOM 264 CG LEU A 18 6.625 4.823 -1.993 1.00 15.00 C ATOM 265 CD1 LEU A 18 6.060 5.618 -3.160 1.00 15.00 C ATOM 266 CD2 LEU A 18 7.987 4.247 -2.349 1.00 15.00 C ATOM 0 HA LEU A 18 6.673 7.670 -1.576 1.00 15.00 H new ATOM 0 HB2 LEU A 18 7.309 5.162 0.010 1.00 15.00 H new ATOM 0 HB3 LEU A 18 5.721 5.822 -0.326 1.00 15.00 H new ATOM 0 HG LEU A 18 5.945 3.997 -1.783 1.00 15.00 H new ATOM 0 HD11 LEU A 18 6.000 4.979 -4.041 1.00 15.00 H new ATOM 0 HD12 LEU A 18 5.064 5.980 -2.906 1.00 15.00 H new ATOM 0 HD13 LEU A 18 6.711 6.466 -3.371 1.00 15.00 H new ATOM 0 HD21 LEU A 18 7.899 3.630 -3.243 1.00 15.00 H new ATOM 0 HD22 LEU A 18 8.688 5.060 -2.537 1.00 15.00 H new ATOM 0 HD23 LEU A 18 8.352 3.637 -1.522 1.00 15.00 H new ATOM 278 N GLY A 19 6.436 7.806 1.175 1.00 15.00 N ATOM 279 CA GLY A 19 6.468 8.455 2.471 1.00 15.00 C ATOM 280 C GLY A 19 5.355 7.978 3.370 1.00 15.00 C ATOM 281 O GLY A 19 4.744 8.766 4.087 1.00 15.00 O ATOM 0 H GLY A 19 5.542 7.377 0.935 1.00 15.00 H new ATOM 0 HA2 GLY A 19 7.428 8.262 2.949 1.00 15.00 H new ATOM 0 HA3 GLY A 19 6.389 9.534 2.338 1.00 15.00 H new ATOM 285 N ILE A 20 5.079 6.685 3.315 1.00 15.00 N ATOM 286 CA ILE A 20 4.024 6.097 4.120 1.00 15.00 C ATOM 287 C ILE A 20 4.583 5.158 5.182 1.00 15.00 C ATOM 288 O ILE A 20 5.553 4.438 4.946 1.00 15.00 O ATOM 289 CB ILE A 20 3.011 5.343 3.232 1.00 15.00 C ATOM 290 CG1 ILE A 20 1.597 5.837 3.522 1.00 15.00 C ATOM 291 CG2 ILE A 20 3.103 3.841 3.452 1.00 15.00 C ATOM 292 CD1 ILE A 20 0.519 4.850 3.152 1.00 15.00 C ATOM 0 H ILE A 20 5.574 6.022 2.719 1.00 15.00 H new ATOM 0 HA ILE A 20 3.512 6.915 4.626 1.00 15.00 H new ATOM 0 HB ILE A 20 3.252 5.544 2.188 1.00 15.00 H new ATOM 0 HG12 ILE A 20 1.514 6.070 4.584 1.00 15.00 H new ATOM 0 HG13 ILE A 20 1.428 6.766 2.978 1.00 15.00 H new ATOM 0 HG21 ILE A 20 2.379 3.335 2.814 1.00 15.00 H new ATOM 0 HG22 ILE A 20 4.107 3.498 3.204 1.00 15.00 H new ATOM 0 HG23 ILE A 20 2.889 3.612 4.496 1.00 15.00 H new ATOM 0 HD11 ILE A 20 -0.458 5.273 3.388 1.00 15.00 H new ATOM 0 HD12 ILE A 20 0.573 4.635 2.085 1.00 15.00 H new ATOM 0 HD13 ILE A 20 0.661 3.928 3.716 1.00 15.00 H new ATOM 304 N SER A 21 3.933 5.146 6.335 1.00 15.00 N ATOM 305 CA SER A 21 4.322 4.270 7.426 1.00 15.00 C ATOM 306 C SER A 21 3.458 3.018 7.364 1.00 15.00 C ATOM 307 O SER A 21 2.286 3.048 7.739 1.00 15.00 O ATOM 308 CB SER A 21 4.146 4.982 8.769 1.00 15.00 C ATOM 309 OG SER A 21 2.776 5.092 9.113 1.00 15.00 O ATOM 0 H SER A 21 3.128 5.738 6.539 1.00 15.00 H new ATOM 0 HA SER A 21 5.373 3.998 7.331 1.00 15.00 H new ATOM 0 HB2 SER A 21 4.676 4.433 9.547 1.00 15.00 H new ATOM 0 HB3 SER A 21 4.592 5.975 8.719 1.00 15.00 H new ATOM 0 HG SER A 21 2.232 4.635 8.438 1.00 15.00 H new ATOM 315 N VAL A 22 4.017 1.933 6.841 1.00 15.00 N ATOM 316 CA VAL A 22 3.253 0.700 6.683 1.00 15.00 C ATOM 317 C VAL A 22 3.412 -0.256 7.858 1.00 15.00 C ATOM 318 O VAL A 22 4.482 -0.359 8.455 1.00 15.00 O ATOM 319 CB VAL A 22 3.665 -0.046 5.400 1.00 15.00 C ATOM 320 CG1 VAL A 22 3.411 0.807 4.170 1.00 15.00 C ATOM 321 CG2 VAL A 22 5.126 -0.458 5.472 1.00 15.00 C ATOM 0 H VAL A 22 4.985 1.880 6.522 1.00 15.00 H new ATOM 0 HA VAL A 22 2.210 1.011 6.629 1.00 15.00 H new ATOM 0 HB VAL A 22 3.054 -0.945 5.319 1.00 15.00 H new ATOM 0 HG11 VAL A 22 3.710 0.257 3.278 1.00 15.00 H new ATOM 0 HG12 VAL A 22 2.350 1.049 4.108 1.00 15.00 H new ATOM 0 HG13 VAL A 22 3.990 1.728 4.240 1.00 15.00 H new ATOM 0 HG21 VAL A 22 5.401 -0.984 4.558 1.00 15.00 H new ATOM 0 HG22 VAL A 22 5.749 0.429 5.582 1.00 15.00 H new ATOM 0 HG23 VAL A 22 5.277 -1.115 6.328 1.00 15.00 H new ATOM 331 N THR A 23 2.330 -0.971 8.163 1.00 15.00 N ATOM 332 CA THR A 23 2.328 -1.949 9.243 1.00 15.00 C ATOM 333 C THR A 23 1.353 -3.095 8.938 1.00 15.00 C ATOM 334 O THR A 23 0.733 -3.132 7.869 1.00 15.00 O ATOM 335 CB THR A 23 1.994 -1.276 10.578 1.00 15.00 C ATOM 336 OG1 THR A 23 2.615 -1.959 11.652 1.00 15.00 O ATOM 337 CG2 THR A 23 0.515 -1.209 10.876 1.00 15.00 C ATOM 0 H THR A 23 1.440 -0.888 7.672 1.00 15.00 H new ATOM 0 HA THR A 23 3.328 -2.376 9.323 1.00 15.00 H new ATOM 0 HB THR A 23 2.369 -0.257 10.480 1.00 15.00 H new ATOM 0 HG1 THR A 23 2.392 -1.514 12.496 1.00 15.00 H new ATOM 0 HG21 THR A 23 0.359 -0.719 11.837 1.00 15.00 H new ATOM 0 HG22 THR A 23 0.012 -0.641 10.094 1.00 15.00 H new ATOM 0 HG23 THR A 23 0.105 -2.218 10.912 1.00 15.00 H new ATOM 345 N GLY A 24 1.227 -4.031 9.879 1.00 15.00 N ATOM 346 CA GLY A 24 0.333 -5.165 9.690 1.00 15.00 C ATOM 347 C GLY A 24 0.911 -6.205 8.749 1.00 15.00 C ATOM 348 O GLY A 24 1.964 -6.775 9.025 1.00 15.00 O ATOM 0 H GLY A 24 1.727 -4.025 10.768 1.00 15.00 H new ATOM 0 HA2 GLY A 24 0.127 -5.627 10.656 1.00 15.00 H new ATOM 0 HA3 GLY A 24 -0.620 -4.812 9.296 1.00 15.00 H new ATOM 352 N GLY A 25 0.229 -6.439 7.631 1.00 15.00 N ATOM 353 CA GLY A 25 0.704 -7.400 6.647 1.00 15.00 C ATOM 354 C GLY A 25 0.746 -8.833 7.149 1.00 15.00 C ATOM 355 O GLY A 25 0.035 -9.694 6.631 1.00 15.00 O ATOM 0 H GLY A 25 -0.648 -5.979 7.387 1.00 15.00 H new ATOM 0 HA2 GLY A 25 0.060 -7.353 5.769 1.00 15.00 H new ATOM 0 HA3 GLY A 25 1.704 -7.110 6.325 1.00 15.00 H new ATOM 359 N VAL A 26 1.599 -9.087 8.142 1.00 15.00 N ATOM 360 CA VAL A 26 1.775 -10.426 8.725 1.00 15.00 C ATOM 361 C VAL A 26 0.537 -11.307 8.574 1.00 15.00 C ATOM 362 O VAL A 26 -0.595 -10.837 8.689 1.00 15.00 O ATOM 363 CB VAL A 26 2.140 -10.340 10.218 1.00 15.00 C ATOM 364 CG1 VAL A 26 3.629 -10.081 10.392 1.00 15.00 C ATOM 365 CG2 VAL A 26 1.320 -9.260 10.903 1.00 15.00 C ATOM 0 H VAL A 26 2.190 -8.373 8.568 1.00 15.00 H new ATOM 0 HA VAL A 26 2.591 -10.884 8.166 1.00 15.00 H new ATOM 0 HB VAL A 26 1.906 -11.296 10.687 1.00 15.00 H new ATOM 0 HG11 VAL A 26 3.867 -10.024 11.454 1.00 15.00 H new ATOM 0 HG12 VAL A 26 4.195 -10.894 9.937 1.00 15.00 H new ATOM 0 HG13 VAL A 26 3.893 -9.140 9.910 1.00 15.00 H new ATOM 0 HG21 VAL A 26 1.590 -9.212 11.958 1.00 15.00 H new ATOM 0 HG22 VAL A 26 1.521 -8.297 10.433 1.00 15.00 H new ATOM 0 HG23 VAL A 26 0.260 -9.495 10.810 1.00 15.00 H new ATOM 375 N ASN A 27 0.771 -12.591 8.320 1.00 15.00 N ATOM 376 CA ASN A 27 -0.310 -13.557 8.153 1.00 15.00 C ATOM 377 C ASN A 27 -0.881 -13.977 9.507 1.00 15.00 C ATOM 378 O ASN A 27 -0.928 -15.163 9.831 1.00 15.00 O ATOM 379 CB ASN A 27 0.204 -14.787 7.399 1.00 15.00 C ATOM 380 CG ASN A 27 -0.909 -15.737 6.998 1.00 15.00 C ATOM 381 OD1 ASN A 27 -1.892 -15.904 7.720 1.00 15.00 O ATOM 382 ND2 ASN A 27 -0.759 -16.364 5.837 1.00 15.00 N ATOM 0 H ASN A 27 1.706 -12.988 8.225 1.00 15.00 H new ATOM 0 HA ASN A 27 -1.106 -13.086 7.577 1.00 15.00 H new ATOM 0 HB2 ASN A 27 0.739 -14.463 6.506 1.00 15.00 H new ATOM 0 HB3 ASN A 27 0.921 -15.318 8.025 1.00 15.00 H new ATOM 0 HD21 ASN A 27 -1.475 -17.014 5.512 1.00 15.00 H new ATOM 0 HD22 ASN A 27 0.072 -16.196 5.270 1.00 15.00 H new ATOM 389 N THR A 28 -1.311 -12.997 10.297 1.00 15.00 N ATOM 390 CA THR A 28 -1.875 -13.271 11.613 1.00 15.00 C ATOM 391 C THR A 28 -2.873 -12.190 12.014 1.00 15.00 C ATOM 392 O THR A 28 -4.063 -12.458 12.180 1.00 15.00 O ATOM 393 CB THR A 28 -0.762 -13.367 12.658 1.00 15.00 C ATOM 394 OG1 THR A 28 0.281 -14.211 12.203 1.00 15.00 O ATOM 395 CG2 THR A 28 -1.237 -13.904 13.991 1.00 15.00 C ATOM 0 H THR A 28 -1.279 -12.008 10.048 1.00 15.00 H new ATOM 0 HA THR A 28 -2.401 -14.224 11.563 1.00 15.00 H new ATOM 0 HB THR A 28 -0.411 -12.345 12.800 1.00 15.00 H new ATOM 0 HG1 THR A 28 0.984 -14.259 12.884 1.00 15.00 H new ATOM 0 HG21 THR A 28 -0.398 -13.946 14.686 1.00 15.00 H new ATOM 0 HG22 THR A 28 -2.009 -13.248 14.393 1.00 15.00 H new ATOM 0 HG23 THR A 28 -1.646 -14.905 13.855 1.00 15.00 H new ATOM 403 N SER A 29 -2.377 -10.967 12.169 1.00 15.00 N ATOM 404 CA SER A 29 -3.220 -9.841 12.553 1.00 15.00 C ATOM 405 C SER A 29 -4.181 -9.473 11.428 1.00 15.00 C ATOM 406 O SER A 29 -5.385 -9.337 11.647 1.00 15.00 O ATOM 407 CB SER A 29 -2.356 -8.633 12.917 1.00 15.00 C ATOM 408 OG SER A 29 -3.158 -7.522 13.278 1.00 15.00 O ATOM 0 H SER A 29 -1.394 -10.730 12.034 1.00 15.00 H new ATOM 0 HA SER A 29 -3.805 -10.137 13.424 1.00 15.00 H new ATOM 0 HB2 SER A 29 -1.694 -8.891 13.744 1.00 15.00 H new ATOM 0 HB3 SER A 29 -1.721 -8.368 12.071 1.00 15.00 H new ATOM 0 HG SER A 29 -2.582 -6.763 13.508 1.00 15.00 H new ATOM 414 N VAL A 30 -3.643 -9.315 10.224 1.00 15.00 N ATOM 415 CA VAL A 30 -4.454 -8.965 9.066 1.00 15.00 C ATOM 416 C VAL A 30 -5.077 -10.207 8.439 1.00 15.00 C ATOM 417 O VAL A 30 -4.921 -11.315 8.951 1.00 15.00 O ATOM 418 CB VAL A 30 -3.622 -8.222 8.003 1.00 15.00 C ATOM 419 CG1 VAL A 30 -3.095 -6.909 8.561 1.00 15.00 C ATOM 420 CG2 VAL A 30 -2.479 -9.095 7.508 1.00 15.00 C ATOM 0 H VAL A 30 -2.648 -9.424 10.025 1.00 15.00 H new ATOM 0 HA VAL A 30 -5.247 -8.305 9.419 1.00 15.00 H new ATOM 0 HB VAL A 30 -4.269 -7.998 7.155 1.00 15.00 H new ATOM 0 HG11 VAL A 30 -2.510 -6.398 7.797 1.00 15.00 H new ATOM 0 HG12 VAL A 30 -3.932 -6.278 8.859 1.00 15.00 H new ATOM 0 HG13 VAL A 30 -2.465 -7.109 9.427 1.00 15.00 H new ATOM 0 HG21 VAL A 30 -1.904 -8.551 6.758 1.00 15.00 H new ATOM 0 HG22 VAL A 30 -1.830 -9.354 8.345 1.00 15.00 H new ATOM 0 HG23 VAL A 30 -2.882 -10.006 7.066 1.00 15.00 H new ATOM 430 N ARG A 31 -5.786 -10.016 7.332 1.00 15.00 N ATOM 431 CA ARG A 31 -6.433 -11.126 6.642 1.00 15.00 C ATOM 432 C ARG A 31 -5.498 -11.755 5.613 1.00 15.00 C ATOM 433 O ARG A 31 -5.023 -11.085 4.696 1.00 15.00 O ATOM 434 CB ARG A 31 -7.719 -10.654 5.962 1.00 15.00 C ATOM 435 CG ARG A 31 -7.502 -9.538 4.952 1.00 15.00 C ATOM 436 CD ARG A 31 -8.122 -9.875 3.605 1.00 15.00 C ATOM 437 NE ARG A 31 -7.127 -10.349 2.647 1.00 15.00 N ATOM 438 CZ ARG A 31 -7.389 -10.591 1.365 1.00 15.00 C ATOM 439 NH1 ARG A 31 -8.612 -10.404 0.885 1.00 15.00 N ATOM 440 NH2 ARG A 31 -6.426 -11.020 0.561 1.00 15.00 N ATOM 0 H ARG A 31 -5.927 -9.106 6.894 1.00 15.00 H new ATOM 0 HA ARG A 31 -6.681 -11.883 7.386 1.00 15.00 H new ATOM 0 HB2 ARG A 31 -8.186 -11.501 5.460 1.00 15.00 H new ATOM 0 HB3 ARG A 31 -8.418 -10.311 6.725 1.00 15.00 H new ATOM 0 HG2 ARG A 31 -7.936 -8.613 5.332 1.00 15.00 H new ATOM 0 HG3 ARG A 31 -6.434 -9.361 4.828 1.00 15.00 H new ATOM 0 HD2 ARG A 31 -8.888 -10.639 3.740 1.00 15.00 H new ATOM 0 HD3 ARG A 31 -8.619 -8.992 3.204 1.00 15.00 H new ATOM 0 HE ARG A 31 -6.175 -10.504 2.980 1.00 15.00 H new ATOM 0 HH11 ARG A 31 -9.356 -10.073 1.499 1.00 15.00 H new ATOM 0 HH12 ARG A 31 -8.808 -10.591 -0.098 1.00 15.00 H new ATOM 0 HH21 ARG A 31 -5.484 -11.165 0.925 1.00 15.00 H new ATOM 0 HH22 ARG A 31 -6.627 -11.205 -0.422 1.00 15.00 H new ATOM 454 N HIS A 32 -5.245 -13.050 5.772 1.00 15.00 N ATOM 455 CA HIS A 32 -4.374 -13.785 4.861 1.00 15.00 C ATOM 456 C HIS A 32 -2.932 -13.275 4.934 1.00 15.00 C ATOM 457 O HIS A 32 -2.142 -13.754 5.743 1.00 15.00 O ATOM 458 CB HIS A 32 -4.908 -13.693 3.428 1.00 15.00 C ATOM 459 CG HIS A 32 -6.283 -14.259 3.264 1.00 15.00 C ATOM 460 ND1 HIS A 32 -6.983 -14.849 4.296 1.00 15.00 N ATOM 461 CD2 HIS A 32 -7.093 -14.320 2.180 1.00 15.00 C ATOM 462 CE1 HIS A 32 -8.163 -15.247 3.854 1.00 15.00 C ATOM 463 NE2 HIS A 32 -8.254 -14.938 2.574 1.00 15.00 N ATOM 0 H HIS A 32 -5.633 -13.615 6.527 1.00 15.00 H new ATOM 0 HA HIS A 32 -4.370 -14.831 5.168 1.00 15.00 H new ATOM 0 HB2 HIS A 32 -4.915 -12.648 3.118 1.00 15.00 H new ATOM 0 HB3 HIS A 32 -4.226 -14.219 2.760 1.00 15.00 H new ATOM 0 HD2 HIS A 32 -6.868 -13.951 1.190 1.00 15.00 H new ATOM 0 HE1 HIS A 32 -8.924 -15.741 4.440 1.00 15.00 H new ATOM 0 HE2 HIS A 32 -9.057 -15.128 1.974 1.00 15.00 H new ATOM 472 N GLY A 33 -2.591 -12.308 4.086 1.00 15.00 N ATOM 473 CA GLY A 33 -1.244 -11.767 4.079 1.00 15.00 C ATOM 474 C GLY A 33 -1.159 -10.458 3.323 1.00 15.00 C ATOM 475 O GLY A 33 -0.108 -10.107 2.789 1.00 15.00 O ATOM 0 H GLY A 33 -3.224 -11.890 3.404 1.00 15.00 H new ATOM 0 HA2 GLY A 33 -0.910 -11.615 5.105 1.00 15.00 H new ATOM 0 HA3 GLY A 33 -0.566 -12.491 3.627 1.00 15.00 H new ATOM 479 N GLY A 34 -2.265 -9.723 3.292 1.00 15.00 N ATOM 480 CA GLY A 34 -2.278 -8.442 2.615 1.00 15.00 C ATOM 481 C GLY A 34 -1.771 -7.354 3.531 1.00 15.00 C ATOM 482 O GLY A 34 -1.932 -7.449 4.748 1.00 15.00 O ATOM 0 H GLY A 34 -3.150 -9.991 3.723 1.00 15.00 H new ATOM 0 HA2 GLY A 34 -1.657 -8.491 1.720 1.00 15.00 H new ATOM 0 HA3 GLY A 34 -3.291 -8.207 2.288 1.00 15.00 H new ATOM 486 N ILE A 35 -1.145 -6.325 2.975 1.00 15.00 N ATOM 487 CA ILE A 35 -0.621 -5.257 3.811 1.00 15.00 C ATOM 488 C ILE A 35 -1.642 -4.156 4.023 1.00 15.00 C ATOM 489 O ILE A 35 -2.493 -3.897 3.171 1.00 15.00 O ATOM 490 CB ILE A 35 0.682 -4.652 3.245 1.00 15.00 C ATOM 491 CG1 ILE A 35 1.681 -4.405 4.386 1.00 15.00 C ATOM 492 CG2 ILE A 35 0.408 -3.373 2.457 1.00 15.00 C ATOM 493 CD1 ILE A 35 1.653 -3.002 4.960 1.00 15.00 C ATOM 0 H ILE A 35 -0.991 -6.209 1.973 1.00 15.00 H new ATOM 0 HA ILE A 35 -0.393 -5.717 4.773 1.00 15.00 H new ATOM 0 HB ILE A 35 1.121 -5.365 2.547 1.00 15.00 H new ATOM 0 HG12 ILE A 35 1.479 -5.115 5.188 1.00 15.00 H new ATOM 0 HG13 ILE A 35 2.687 -4.614 4.022 1.00 15.00 H new ATOM 0 HG21 ILE A 35 1.347 -2.974 2.073 1.00 15.00 H new ATOM 0 HG22 ILE A 35 -0.260 -3.595 1.624 1.00 15.00 H new ATOM 0 HG23 ILE A 35 -0.059 -2.636 3.110 1.00 15.00 H new ATOM 0 HD11 ILE A 35 2.390 -2.921 5.759 1.00 15.00 H new ATOM 0 HD12 ILE A 35 1.888 -2.283 4.175 1.00 15.00 H new ATOM 0 HD13 ILE A 35 0.661 -2.792 5.359 1.00 15.00 H new ATOM 505 N TYR A 36 -1.526 -3.503 5.163 1.00 15.00 N ATOM 506 CA TYR A 36 -2.407 -2.406 5.514 1.00 15.00 C ATOM 507 C TYR A 36 -1.586 -1.281 6.108 1.00 15.00 C ATOM 508 O TYR A 36 -1.068 -1.399 7.218 1.00 15.00 O ATOM 509 CB TYR A 36 -3.475 -2.866 6.505 1.00 15.00 C ATOM 510 CG TYR A 36 -4.449 -3.861 5.920 1.00 15.00 C ATOM 511 CD1 TYR A 36 -4.073 -5.180 5.698 1.00 15.00 C ATOM 512 CD2 TYR A 36 -5.743 -3.482 5.590 1.00 15.00 C ATOM 513 CE1 TYR A 36 -4.960 -6.092 5.164 1.00 15.00 C ATOM 514 CE2 TYR A 36 -6.636 -4.388 5.055 1.00 15.00 C ATOM 515 CZ TYR A 36 -6.241 -5.693 4.843 1.00 15.00 C ATOM 516 OH TYR A 36 -7.127 -6.601 4.312 1.00 15.00 O ATOM 0 H TYR A 36 -0.822 -3.717 5.869 1.00 15.00 H new ATOM 0 HA TYR A 36 -2.914 -2.052 4.616 1.00 15.00 H new ATOM 0 HB2 TYR A 36 -2.987 -3.313 7.371 1.00 15.00 H new ATOM 0 HB3 TYR A 36 -4.026 -1.997 6.863 1.00 15.00 H new ATOM 0 HD1 TYR A 36 -3.071 -5.496 5.947 1.00 15.00 H new ATOM 0 HD2 TYR A 36 -6.056 -2.462 5.755 1.00 15.00 H new ATOM 0 HE1 TYR A 36 -4.653 -7.114 4.998 1.00 15.00 H new ATOM 0 HE2 TYR A 36 -7.639 -4.077 4.803 1.00 15.00 H new ATOM 0 HH TYR A 36 -6.770 -6.952 3.470 1.00 15.00 H new ATOM 526 N VAL A 37 -1.443 -0.201 5.357 1.00 15.00 N ATOM 527 CA VAL A 37 -0.644 0.923 5.829 1.00 15.00 C ATOM 528 C VAL A 37 -1.130 1.415 7.185 1.00 15.00 C ATOM 529 O VAL A 37 -2.301 1.272 7.534 1.00 15.00 O ATOM 530 CB VAL A 37 -0.604 2.108 4.824 1.00 15.00 C ATOM 531 CG1 VAL A 37 -0.781 1.639 3.394 1.00 15.00 C ATOM 532 CG2 VAL A 37 -1.632 3.175 5.146 1.00 15.00 C ATOM 0 H VAL A 37 -1.860 -0.077 4.435 1.00 15.00 H new ATOM 0 HA VAL A 37 0.373 0.543 5.925 1.00 15.00 H new ATOM 0 HB VAL A 37 0.386 2.552 4.926 1.00 15.00 H new ATOM 0 HG11 VAL A 37 -0.747 2.497 2.723 1.00 15.00 H new ATOM 0 HG12 VAL A 37 0.019 0.945 3.137 1.00 15.00 H new ATOM 0 HG13 VAL A 37 -1.743 1.137 3.292 1.00 15.00 H new ATOM 0 HG21 VAL A 37 -1.562 3.980 4.414 1.00 15.00 H new ATOM 0 HG22 VAL A 37 -2.631 2.740 5.113 1.00 15.00 H new ATOM 0 HG23 VAL A 37 -1.443 3.573 6.143 1.00 15.00 H new ATOM 542 N LYS A 38 -0.220 2.014 7.933 1.00 15.00 N ATOM 543 CA LYS A 38 -0.537 2.557 9.237 1.00 15.00 C ATOM 544 C LYS A 38 -1.063 3.973 9.062 1.00 15.00 C ATOM 545 O LYS A 38 -2.084 4.344 9.638 1.00 15.00 O ATOM 546 CB LYS A 38 0.703 2.545 10.134 1.00 15.00 C ATOM 547 CG LYS A 38 0.409 2.180 11.581 1.00 15.00 C ATOM 548 CD LYS A 38 -0.549 3.169 12.224 1.00 15.00 C ATOM 549 CE LYS A 38 0.179 4.410 12.716 1.00 15.00 C ATOM 550 NZ LYS A 38 -0.768 5.459 13.187 1.00 15.00 N ATOM 0 H LYS A 38 0.753 2.136 7.653 1.00 15.00 H new ATOM 0 HA LYS A 38 -1.300 1.945 9.717 1.00 15.00 H new ATOM 0 HB2 LYS A 38 1.426 1.836 9.730 1.00 15.00 H new ATOM 0 HB3 LYS A 38 1.171 3.529 10.105 1.00 15.00 H new ATOM 0 HG2 LYS A 38 -0.018 1.178 11.625 1.00 15.00 H new ATOM 0 HG3 LYS A 38 1.340 2.154 12.147 1.00 15.00 H new ATOM 0 HD2 LYS A 38 -1.315 3.457 11.503 1.00 15.00 H new ATOM 0 HD3 LYS A 38 -1.061 2.691 13.059 1.00 15.00 H new ATOM 0 HE2 LYS A 38 0.853 4.138 13.529 1.00 15.00 H new ATOM 0 HE3 LYS A 38 0.796 4.812 11.912 1.00 15.00 H new ATOM 0 HZ1 LYS A 38 -0.233 6.288 13.514 1.00 15.00 H new ATOM 0 HZ2 LYS A 38 -1.394 5.738 12.405 1.00 15.00 H new ATOM 0 HZ3 LYS A 38 -1.339 5.084 13.971 1.00 15.00 H new ATOM 564 N ALA A 39 -0.365 4.753 8.239 1.00 15.00 N ATOM 565 CA ALA A 39 -0.772 6.121 7.954 1.00 15.00 C ATOM 566 C ALA A 39 0.088 6.719 6.846 1.00 15.00 C ATOM 567 O ALA A 39 1.110 6.146 6.476 1.00 15.00 O ATOM 568 CB ALA A 39 -0.706 6.966 9.211 1.00 15.00 C ATOM 0 H ALA A 39 0.485 4.458 7.759 1.00 15.00 H new ATOM 0 HA ALA A 39 -1.805 6.110 7.607 1.00 15.00 H new ATOM 0 HB1 ALA A 39 -1.013 7.986 8.980 1.00 15.00 H new ATOM 0 HB2 ALA A 39 -1.372 6.548 9.966 1.00 15.00 H new ATOM 0 HB3 ALA A 39 0.315 6.972 9.592 1.00 15.00 H new ATOM 574 N VAL A 40 -0.316 7.880 6.338 1.00 15.00 N ATOM 575 CA VAL A 40 0.443 8.557 5.284 1.00 15.00 C ATOM 576 C VAL A 40 1.346 9.611 5.912 1.00 15.00 C ATOM 577 O VAL A 40 0.871 10.607 6.457 1.00 15.00 O ATOM 578 CB VAL A 40 -0.472 9.225 4.227 1.00 15.00 C ATOM 579 CG1 VAL A 40 -0.401 8.477 2.903 1.00 15.00 C ATOM 580 CG2 VAL A 40 -1.910 9.306 4.715 1.00 15.00 C ATOM 0 H VAL A 40 -1.159 8.371 6.635 1.00 15.00 H new ATOM 0 HA VAL A 40 1.034 7.800 4.769 1.00 15.00 H new ATOM 0 HB VAL A 40 -0.111 10.242 4.071 1.00 15.00 H new ATOM 0 HG11 VAL A 40 -1.051 8.963 2.175 1.00 15.00 H new ATOM 0 HG12 VAL A 40 0.625 8.485 2.535 1.00 15.00 H new ATOM 0 HG13 VAL A 40 -0.726 7.447 3.049 1.00 15.00 H new ATOM 0 HG21 VAL A 40 -2.527 9.779 3.951 1.00 15.00 H new ATOM 0 HG22 VAL A 40 -2.284 8.302 4.913 1.00 15.00 H new ATOM 0 HG23 VAL A 40 -1.951 9.895 5.631 1.00 15.00 H new ATOM 590 N ILE A 41 2.648 9.351 5.884 1.00 15.00 N ATOM 591 CA ILE A 41 3.620 10.241 6.506 1.00 15.00 C ATOM 592 C ILE A 41 3.932 11.485 5.670 1.00 15.00 C ATOM 593 O ILE A 41 4.441 11.388 4.551 1.00 15.00 O ATOM 594 CB ILE A 41 4.918 9.471 6.866 1.00 15.00 C ATOM 595 CG1 ILE A 41 4.664 8.463 8.001 1.00 15.00 C ATOM 596 CG2 ILE A 41 6.033 10.423 7.266 1.00 15.00 C ATOM 597 CD1 ILE A 41 3.237 7.958 8.089 1.00 15.00 C ATOM 0 H ILE A 41 3.055 8.530 5.436 1.00 15.00 H new ATOM 0 HA ILE A 41 3.158 10.606 7.423 1.00 15.00 H new ATOM 0 HB ILE A 41 5.229 8.928 5.974 1.00 15.00 H new ATOM 0 HG12 ILE A 41 5.330 7.610 7.868 1.00 15.00 H new ATOM 0 HG13 ILE A 41 4.930 8.929 8.950 1.00 15.00 H new ATOM 0 HG21 ILE A 41 6.928 9.852 7.512 1.00 15.00 H new ATOM 0 HG22 ILE A 41 6.249 11.098 6.438 1.00 15.00 H new ATOM 0 HG23 ILE A 41 5.722 11.003 8.135 1.00 15.00 H new ATOM 0 HD11 ILE A 41 3.151 7.253 8.916 1.00 15.00 H new ATOM 0 HD12 ILE A 41 2.563 8.798 8.256 1.00 15.00 H new ATOM 0 HD13 ILE A 41 2.970 7.459 7.158 1.00 15.00 H new ATOM 609 N PRO A 42 3.631 12.681 6.238 1.00 15.00 N ATOM 610 CA PRO A 42 3.866 13.975 5.580 1.00 15.00 C ATOM 611 C PRO A 42 5.345 14.262 5.341 1.00 15.00 C ATOM 612 O PRO A 42 5.889 15.237 5.861 1.00 15.00 O ATOM 613 CB PRO A 42 3.283 14.995 6.564 1.00 15.00 C ATOM 614 CG PRO A 42 3.292 14.305 7.880 1.00 15.00 C ATOM 615 CD PRO A 42 3.038 12.858 7.579 1.00 15.00 C ATOM 0 HA PRO A 42 3.410 14.003 4.590 1.00 15.00 H new ATOM 0 HB2 PRO A 42 3.882 15.905 6.591 1.00 15.00 H new ATOM 0 HB3 PRO A 42 2.273 15.287 6.278 1.00 15.00 H new ATOM 0 HG2 PRO A 42 4.248 14.438 8.386 1.00 15.00 H new ATOM 0 HG3 PRO A 42 2.524 14.709 8.539 1.00 15.00 H new ATOM 0 HD2 PRO A 42 3.507 12.206 8.316 1.00 15.00 H new ATOM 0 HD3 PRO A 42 1.973 12.628 7.581 1.00 15.00 H new ATOM 623 N GLN A 43 5.995 13.415 4.551 1.00 15.00 N ATOM 624 CA GLN A 43 7.408 13.598 4.252 1.00 15.00 C ATOM 625 C GLN A 43 7.763 13.057 2.869 1.00 15.00 C ATOM 626 O GLN A 43 8.459 13.718 2.097 1.00 15.00 O ATOM 627 CB GLN A 43 8.267 12.912 5.316 1.00 15.00 C ATOM 628 CG GLN A 43 8.505 13.770 6.548 1.00 15.00 C ATOM 629 CD GLN A 43 9.589 13.211 7.449 1.00 15.00 C ATOM 630 OE1 GLN A 43 10.193 12.182 7.148 1.00 15.00 O ATOM 631 NE2 GLN A 43 9.840 13.889 8.563 1.00 15.00 N ATOM 0 H GLN A 43 5.569 12.600 4.109 1.00 15.00 H new ATOM 0 HA GLN A 43 7.612 14.669 4.258 1.00 15.00 H new ATOM 0 HB2 GLN A 43 7.784 11.983 5.618 1.00 15.00 H new ATOM 0 HB3 GLN A 43 9.229 12.644 4.878 1.00 15.00 H new ATOM 0 HG2 GLN A 43 8.781 14.777 6.236 1.00 15.00 H new ATOM 0 HG3 GLN A 43 7.576 13.854 7.112 1.00 15.00 H new ATOM 0 HE21 GLN A 43 9.315 14.738 8.773 1.00 15.00 H new ATOM 0 HE22 GLN A 43 10.558 13.561 9.209 1.00 15.00 H new ATOM 640 N GLY A 44 7.300 11.848 2.564 1.00 15.00 N ATOM 641 CA GLY A 44 7.605 11.248 1.273 1.00 15.00 C ATOM 642 C GLY A 44 6.616 11.606 0.178 1.00 15.00 C ATOM 643 O GLY A 44 5.539 12.140 0.441 1.00 15.00 O ATOM 0 H GLY A 44 6.724 11.275 3.181 1.00 15.00 H new ATOM 0 HA2 GLY A 44 8.602 11.561 0.965 1.00 15.00 H new ATOM 0 HA3 GLY A 44 7.632 10.164 1.385 1.00 15.00 H new ATOM 647 N ALA A 45 6.999 11.293 -1.057 1.00 15.00 N ATOM 648 CA ALA A 45 6.175 11.567 -2.234 1.00 15.00 C ATOM 649 C ALA A 45 4.788 10.932 -2.143 1.00 15.00 C ATOM 650 O ALA A 45 3.899 11.261 -2.927 1.00 15.00 O ATOM 651 CB ALA A 45 6.883 11.075 -3.485 1.00 15.00 C ATOM 0 H ALA A 45 7.889 10.842 -1.271 1.00 15.00 H new ATOM 0 HA ALA A 45 6.033 12.647 -2.282 1.00 15.00 H new ATOM 0 HB1 ALA A 45 6.264 11.282 -4.358 1.00 15.00 H new ATOM 0 HB2 ALA A 45 7.839 11.588 -3.588 1.00 15.00 H new ATOM 0 HB3 ALA A 45 7.054 10.001 -3.408 1.00 15.00 H new ATOM 657 N ALA A 46 4.604 10.020 -1.196 1.00 15.00 N ATOM 658 CA ALA A 46 3.322 9.349 -1.030 1.00 15.00 C ATOM 659 C ALA A 46 2.285 10.298 -0.450 1.00 15.00 C ATOM 660 O ALA A 46 1.236 10.540 -1.061 1.00 15.00 O ATOM 661 CB ALA A 46 3.480 8.137 -0.128 1.00 15.00 C ATOM 0 H ALA A 46 5.324 9.729 -0.534 1.00 15.00 H new ATOM 0 HA ALA A 46 2.978 9.022 -2.011 1.00 15.00 H new ATOM 0 HB1 ALA A 46 2.516 7.643 -0.011 1.00 15.00 H new ATOM 0 HB2 ALA A 46 4.192 7.442 -0.573 1.00 15.00 H new ATOM 0 HB3 ALA A 46 3.846 8.455 0.848 1.00 15.00 H new ATOM 667 N GLU A 47 2.591 10.839 0.728 1.00 15.00 N ATOM 668 CA GLU A 47 1.700 11.779 1.398 1.00 15.00 C ATOM 669 C GLU A 47 1.417 12.980 0.497 1.00 15.00 C ATOM 670 O GLU A 47 0.287 13.460 0.415 1.00 15.00 O ATOM 671 CB GLU A 47 2.318 12.260 2.720 1.00 15.00 C ATOM 672 CG GLU A 47 3.508 13.180 2.507 1.00 15.00 C ATOM 673 CD GLU A 47 3.102 14.629 2.317 1.00 15.00 C ATOM 674 OE1 GLU A 47 1.936 14.964 2.615 1.00 15.00 O ATOM 675 OE2 GLU A 47 3.951 15.430 1.871 1.00 15.00 O ATOM 0 H GLU A 47 3.452 10.641 1.238 1.00 15.00 H new ATOM 0 HA GLU A 47 0.763 11.265 1.612 1.00 15.00 H new ATOM 0 HB2 GLU A 47 1.559 12.782 3.303 1.00 15.00 H new ATOM 0 HB3 GLU A 47 2.631 11.396 3.306 1.00 15.00 H new ATOM 0 HG2 GLU A 47 4.178 13.104 3.363 1.00 15.00 H new ATOM 0 HG3 GLU A 47 4.068 12.846 1.633 1.00 15.00 H new ATOM 682 N SER A 48 2.467 13.466 -0.170 1.00 15.00 N ATOM 683 CA SER A 48 2.354 14.619 -1.058 1.00 15.00 C ATOM 684 C SER A 48 1.258 14.395 -2.086 1.00 15.00 C ATOM 685 O SER A 48 0.192 15.007 -2.012 1.00 15.00 O ATOM 686 CB SER A 48 3.686 14.881 -1.763 1.00 15.00 C ATOM 687 OG SER A 48 4.002 16.262 -1.757 1.00 15.00 O ATOM 0 H SER A 48 3.407 13.075 -0.109 1.00 15.00 H new ATOM 0 HA SER A 48 2.096 15.490 -0.456 1.00 15.00 H new ATOM 0 HB2 SER A 48 4.479 14.321 -1.268 1.00 15.00 H new ATOM 0 HB3 SER A 48 3.634 14.521 -2.790 1.00 15.00 H new ATOM 0 HG SER A 48 4.858 16.404 -2.212 1.00 15.00 H new ATOM 693 N ASP A 49 1.512 13.500 -3.033 1.00 15.00 N ATOM 694 CA ASP A 49 0.524 13.190 -4.051 1.00 15.00 C ATOM 695 C ASP A 49 -0.748 12.699 -3.378 1.00 15.00 C ATOM 696 O ASP A 49 -1.858 13.057 -3.770 1.00 15.00 O ATOM 697 CB ASP A 49 1.059 12.129 -5.015 1.00 15.00 C ATOM 698 CG ASP A 49 1.352 12.694 -6.391 1.00 15.00 C ATOM 699 OD1 ASP A 49 2.315 13.479 -6.518 1.00 15.00 O ATOM 700 OD2 ASP A 49 0.618 12.351 -7.342 1.00 15.00 O ATOM 0 H ASP A 49 2.387 12.982 -3.115 1.00 15.00 H new ATOM 0 HA ASP A 49 0.307 14.090 -4.627 1.00 15.00 H new ATOM 0 HB2 ASP A 49 1.969 11.693 -4.603 1.00 15.00 H new ATOM 0 HB3 ASP A 49 0.331 11.322 -5.104 1.00 15.00 H new ATOM 705 N GLY A 50 -0.563 11.883 -2.345 1.00 15.00 N ATOM 706 CA GLY A 50 -1.687 11.356 -1.604 1.00 15.00 C ATOM 707 C GLY A 50 -2.316 10.169 -2.297 1.00 15.00 C ATOM 708 O GLY A 50 -3.539 10.034 -2.318 1.00 15.00 O ATOM 0 H GLY A 50 0.351 11.578 -2.009 1.00 15.00 H new ATOM 0 HA2 GLY A 50 -1.358 11.061 -0.607 1.00 15.00 H new ATOM 0 HA3 GLY A 50 -2.435 12.138 -1.475 1.00 15.00 H new ATOM 712 N ARG A 51 -1.485 9.306 -2.872 1.00 15.00 N ATOM 713 CA ARG A 51 -1.993 8.128 -3.572 1.00 15.00 C ATOM 714 C ARG A 51 -2.346 7.031 -2.577 1.00 15.00 C ATOM 715 O ARG A 51 -3.494 6.594 -2.497 1.00 15.00 O ATOM 716 CB ARG A 51 -0.977 7.608 -4.593 1.00 15.00 C ATOM 717 CG ARG A 51 -1.057 8.306 -5.942 1.00 15.00 C ATOM 718 CD ARG A 51 -2.093 7.657 -6.847 1.00 15.00 C ATOM 719 NE ARG A 51 -2.733 8.628 -7.734 1.00 15.00 N ATOM 720 CZ ARG A 51 -3.856 9.280 -7.440 1.00 15.00 C ATOM 721 NH1 ARG A 51 -4.475 9.072 -6.284 1.00 15.00 N ATOM 722 NH2 ARG A 51 -4.364 10.145 -8.307 1.00 15.00 N ATOM 0 H ARG A 51 -0.469 9.396 -2.869 1.00 15.00 H new ATOM 0 HA ARG A 51 -2.894 8.422 -4.111 1.00 15.00 H new ATOM 0 HB2 ARG A 51 0.028 7.731 -4.189 1.00 15.00 H new ATOM 0 HB3 ARG A 51 -1.134 6.539 -4.737 1.00 15.00 H new ATOM 0 HG2 ARG A 51 -1.309 9.356 -5.795 1.00 15.00 H new ATOM 0 HG3 ARG A 51 -0.081 8.277 -6.426 1.00 15.00 H new ATOM 0 HD2 ARG A 51 -1.616 6.880 -7.444 1.00 15.00 H new ATOM 0 HD3 ARG A 51 -2.852 7.169 -6.236 1.00 15.00 H new ATOM 0 HE ARG A 51 -2.292 8.817 -8.634 1.00 15.00 H new ATOM 0 HH11 ARG A 51 -4.091 8.408 -5.612 1.00 15.00 H new ATOM 0 HH12 ARG A 51 -5.335 9.576 -6.068 1.00 15.00 H new ATOM 0 HH21 ARG A 51 -3.895 10.310 -9.197 1.00 15.00 H new ATOM 0 HH22 ARG A 51 -5.224 10.645 -8.084 1.00 15.00 H new ATOM 736 N ILE A 52 -1.353 6.605 -1.810 1.00 15.00 N ATOM 737 CA ILE A 52 -1.548 5.578 -0.805 1.00 15.00 C ATOM 738 C ILE A 52 -2.152 6.202 0.455 1.00 15.00 C ATOM 739 O ILE A 52 -1.875 7.361 0.768 1.00 15.00 O ATOM 740 CB ILE A 52 -0.207 4.885 -0.487 1.00 15.00 C ATOM 741 CG1 ILE A 52 -0.435 3.602 0.306 1.00 15.00 C ATOM 742 CG2 ILE A 52 0.728 5.830 0.253 1.00 15.00 C ATOM 743 CD1 ILE A 52 -0.911 2.451 -0.545 1.00 15.00 C ATOM 0 H ILE A 52 -0.398 6.960 -1.868 1.00 15.00 H new ATOM 0 HA ILE A 52 -2.237 4.824 -1.186 1.00 15.00 H new ATOM 0 HB ILE A 52 0.269 4.615 -1.430 1.00 15.00 H new ATOM 0 HG12 ILE A 52 0.494 3.319 0.801 1.00 15.00 H new ATOM 0 HG13 ILE A 52 -1.168 3.793 1.090 1.00 15.00 H new ATOM 0 HG21 ILE A 52 1.667 5.319 0.467 1.00 15.00 H new ATOM 0 HG22 ILE A 52 0.924 6.706 -0.365 1.00 15.00 H new ATOM 0 HG23 ILE A 52 0.264 6.142 1.189 1.00 15.00 H new ATOM 0 HD11 ILE A 52 -1.053 1.570 0.081 1.00 15.00 H new ATOM 0 HD12 ILE A 52 -1.856 2.716 -1.019 1.00 15.00 H new ATOM 0 HD13 ILE A 52 -0.168 2.234 -1.313 1.00 15.00 H new ATOM 755 N HIS A 53 -3.000 5.456 1.159 1.00 15.00 N ATOM 756 CA HIS A 53 -3.653 5.985 2.355 1.00 15.00 C ATOM 757 C HIS A 53 -3.731 4.971 3.477 1.00 15.00 C ATOM 758 O HIS A 53 -3.470 3.786 3.296 1.00 15.00 O ATOM 759 CB HIS A 53 -5.056 6.490 2.014 1.00 15.00 C ATOM 760 CG HIS A 53 -5.080 7.494 0.903 1.00 15.00 C ATOM 761 ND1 HIS A 53 -5.256 7.148 -0.420 1.00 15.00 N ATOM 762 CD2 HIS A 53 -4.955 8.842 0.925 1.00 15.00 C ATOM 763 CE1 HIS A 53 -5.237 8.240 -1.164 1.00 15.00 C ATOM 764 NE2 HIS A 53 -5.057 9.281 -0.373 1.00 15.00 N ATOM 0 H HIS A 53 -3.249 4.495 0.926 1.00 15.00 H new ATOM 0 HA HIS A 53 -3.037 6.812 2.709 1.00 15.00 H new ATOM 0 HB2 HIS A 53 -5.681 5.641 1.738 1.00 15.00 H new ATOM 0 HB3 HIS A 53 -5.499 6.936 2.905 1.00 15.00 H new ATOM 0 HD2 HIS A 53 -4.803 9.457 1.800 1.00 15.00 H new ATOM 0 HE1 HIS A 53 -5.350 8.275 -2.238 1.00 15.00 H new ATOM 0 HE2 HIS A 53 -5.002 10.253 -0.676 1.00 15.00 H new ATOM 773 N LYS A 54 -4.071 5.486 4.649 1.00 15.00 N ATOM 774 CA LYS A 54 -4.170 4.697 5.864 1.00 15.00 C ATOM 775 C LYS A 54 -4.806 3.321 5.642 1.00 15.00 C ATOM 776 O LYS A 54 -5.853 3.200 5.006 1.00 15.00 O ATOM 777 CB LYS A 54 -4.963 5.470 6.919 1.00 15.00 C ATOM 778 CG LYS A 54 -4.256 5.562 8.258 1.00 15.00 C ATOM 779 CD LYS A 54 -5.242 5.543 9.414 1.00 15.00 C ATOM 780 CE LYS A 54 -5.120 4.263 10.225 1.00 15.00 C ATOM 781 NZ LYS A 54 -6.037 4.256 11.400 1.00 15.00 N ATOM 0 H LYS A 54 -4.288 6.474 4.783 1.00 15.00 H new ATOM 0 HA LYS A 54 -3.151 4.520 6.208 1.00 15.00 H new ATOM 0 HB2 LYS A 54 -5.159 6.477 6.550 1.00 15.00 H new ATOM 0 HB3 LYS A 54 -5.931 4.989 7.060 1.00 15.00 H new ATOM 0 HG2 LYS A 54 -3.559 4.730 8.360 1.00 15.00 H new ATOM 0 HG3 LYS A 54 -3.667 6.478 8.297 1.00 15.00 H new ATOM 0 HD2 LYS A 54 -5.065 6.403 10.060 1.00 15.00 H new ATOM 0 HD3 LYS A 54 -6.258 5.637 9.030 1.00 15.00 H new ATOM 0 HE2 LYS A 54 -5.342 3.407 9.587 1.00 15.00 H new ATOM 0 HE3 LYS A 54 -4.092 4.147 10.567 1.00 15.00 H new ATOM 0 HZ1 LYS A 54 -5.922 3.366 11.925 1.00 15.00 H new ATOM 0 HZ2 LYS A 54 -5.809 5.057 12.023 1.00 15.00 H new ATOM 0 HZ3 LYS A 54 -7.021 4.340 11.073 1.00 15.00 H new ATOM 795 N GLY A 55 -4.161 2.291 6.195 1.00 15.00 N ATOM 796 CA GLY A 55 -4.663 0.929 6.080 1.00 15.00 C ATOM 797 C GLY A 55 -5.013 0.531 4.663 1.00 15.00 C ATOM 798 O GLY A 55 -5.971 -0.212 4.445 1.00 15.00 O ATOM 0 H GLY A 55 -3.293 2.378 6.724 1.00 15.00 H new ATOM 0 HA2 GLY A 55 -3.912 0.240 6.467 1.00 15.00 H new ATOM 0 HA3 GLY A 55 -5.548 0.822 6.708 1.00 15.00 H new ATOM 802 N ASP A 56 -4.238 1.004 3.696 1.00 15.00 N ATOM 803 CA ASP A 56 -4.490 0.659 2.305 1.00 15.00 C ATOM 804 C ASP A 56 -4.265 -0.829 2.080 1.00 15.00 C ATOM 805 O ASP A 56 -3.245 -1.379 2.503 1.00 15.00 O ATOM 806 CB ASP A 56 -3.593 1.467 1.367 1.00 15.00 C ATOM 807 CG ASP A 56 -4.346 2.005 0.168 1.00 15.00 C ATOM 808 OD1 ASP A 56 -5.295 1.333 -0.289 1.00 15.00 O ATOM 809 OD2 ASP A 56 -3.985 3.098 -0.317 1.00 15.00 O ATOM 0 H ASP A 56 -3.439 1.620 3.847 1.00 15.00 H new ATOM 0 HA ASP A 56 -5.529 0.902 2.082 1.00 15.00 H new ATOM 0 HB2 ASP A 56 -3.151 2.298 1.917 1.00 15.00 H new ATOM 0 HB3 ASP A 56 -2.771 0.839 1.024 1.00 15.00 H new ATOM 814 N ARG A 57 -5.220 -1.468 1.410 1.00 15.00 N ATOM 815 CA ARG A 57 -5.134 -2.891 1.113 1.00 15.00 C ATOM 816 C ARG A 57 -4.332 -3.113 -0.165 1.00 15.00 C ATOM 817 O ARG A 57 -4.897 -3.359 -1.230 1.00 15.00 O ATOM 818 CB ARG A 57 -6.540 -3.480 0.959 1.00 15.00 C ATOM 819 CG ARG A 57 -6.730 -4.810 1.668 1.00 15.00 C ATOM 820 CD ARG A 57 -8.176 -5.012 2.095 1.00 15.00 C ATOM 821 NE ARG A 57 -8.741 -6.244 1.551 1.00 15.00 N ATOM 822 CZ ARG A 57 -10.008 -6.616 1.719 1.00 15.00 C ATOM 823 NH1 ARG A 57 -10.843 -5.855 2.416 1.00 15.00 N ATOM 824 NH2 ARG A 57 -10.442 -7.752 1.190 1.00 15.00 N ATOM 0 H ARG A 57 -6.066 -1.018 1.062 1.00 15.00 H new ATOM 0 HA ARG A 57 -4.628 -3.393 1.938 1.00 15.00 H new ATOM 0 HB2 ARG A 57 -7.267 -2.766 1.346 1.00 15.00 H new ATOM 0 HB3 ARG A 57 -6.755 -3.611 -0.102 1.00 15.00 H new ATOM 0 HG2 ARG A 57 -6.428 -5.622 1.007 1.00 15.00 H new ATOM 0 HG3 ARG A 57 -6.082 -4.853 2.543 1.00 15.00 H new ATOM 0 HD2 ARG A 57 -8.232 -5.037 3.183 1.00 15.00 H new ATOM 0 HD3 ARG A 57 -8.774 -4.162 1.764 1.00 15.00 H new ATOM 0 HE ARG A 57 -8.129 -6.855 1.011 1.00 15.00 H new ATOM 0 HH11 ARG A 57 -10.515 -4.981 2.826 1.00 15.00 H new ATOM 0 HH12 ARG A 57 -11.813 -6.145 2.542 1.00 15.00 H new ATOM 0 HH21 ARG A 57 -9.805 -8.341 0.654 1.00 15.00 H new ATOM 0 HH22 ARG A 57 -11.413 -8.037 1.319 1.00 15.00 H new ATOM 838 N VAL A 58 -3.011 -3.011 -0.059 1.00 15.00 N ATOM 839 CA VAL A 58 -2.144 -3.187 -1.217 1.00 15.00 C ATOM 840 C VAL A 58 -1.947 -4.671 -1.535 1.00 15.00 C ATOM 841 O VAL A 58 -1.400 -5.433 -0.730 1.00 15.00 O ATOM 842 CB VAL A 58 -0.778 -2.471 -1.029 1.00 15.00 C ATOM 843 CG1 VAL A 58 -0.916 -1.278 -0.093 1.00 15.00 C ATOM 844 CG2 VAL A 58 0.298 -3.419 -0.520 1.00 15.00 C ATOM 0 H VAL A 58 -2.520 -2.809 0.812 1.00 15.00 H new ATOM 0 HA VAL A 58 -2.640 -2.721 -2.068 1.00 15.00 H new ATOM 0 HB VAL A 58 -0.467 -2.115 -2.011 1.00 15.00 H new ATOM 0 HG11 VAL A 58 0.053 -0.793 0.023 1.00 15.00 H new ATOM 0 HG12 VAL A 58 -1.629 -0.568 -0.511 1.00 15.00 H new ATOM 0 HG13 VAL A 58 -1.271 -1.618 0.880 1.00 15.00 H new ATOM 0 HG21 VAL A 58 1.236 -2.876 -0.403 1.00 15.00 H new ATOM 0 HG22 VAL A 58 -0.005 -3.830 0.443 1.00 15.00 H new ATOM 0 HG23 VAL A 58 0.435 -4.231 -1.234 1.00 15.00 H new ATOM 854 N LEU A 59 -2.433 -5.077 -2.707 1.00 15.00 N ATOM 855 CA LEU A 59 -2.341 -6.468 -3.140 1.00 15.00 C ATOM 856 C LEU A 59 -1.312 -6.668 -4.256 1.00 15.00 C ATOM 857 O LEU A 59 -0.950 -7.802 -4.568 1.00 15.00 O ATOM 858 CB LEU A 59 -3.709 -6.964 -3.612 1.00 15.00 C ATOM 859 CG LEU A 59 -4.807 -6.959 -2.546 1.00 15.00 C ATOM 860 CD1 LEU A 59 -6.039 -7.694 -3.049 1.00 15.00 C ATOM 861 CD2 LEU A 59 -4.302 -7.585 -1.254 1.00 15.00 C ATOM 0 H LEU A 59 -2.895 -4.460 -3.374 1.00 15.00 H new ATOM 0 HA LEU A 59 -2.009 -7.047 -2.278 1.00 15.00 H new ATOM 0 HB2 LEU A 59 -4.034 -6.345 -4.448 1.00 15.00 H new ATOM 0 HB3 LEU A 59 -3.598 -7.980 -3.992 1.00 15.00 H new ATOM 0 HG LEU A 59 -5.082 -5.925 -2.340 1.00 15.00 H new ATOM 0 HD11 LEU A 59 -6.810 -7.681 -2.279 1.00 15.00 H new ATOM 0 HD12 LEU A 59 -6.415 -7.203 -3.947 1.00 15.00 H new ATOM 0 HD13 LEU A 59 -5.777 -8.726 -3.283 1.00 15.00 H new ATOM 0 HD21 LEU A 59 -5.097 -7.572 -0.508 1.00 15.00 H new ATOM 0 HD22 LEU A 59 -3.998 -8.615 -1.443 1.00 15.00 H new ATOM 0 HD23 LEU A 59 -3.448 -7.017 -0.884 1.00 15.00 H new ATOM 873 N ALA A 60 -0.863 -5.580 -4.879 1.00 15.00 N ATOM 874 CA ALA A 60 0.096 -5.688 -5.977 1.00 15.00 C ATOM 875 C ALA A 60 1.054 -4.500 -6.040 1.00 15.00 C ATOM 876 O ALA A 60 0.703 -3.377 -5.681 1.00 15.00 O ATOM 877 CB ALA A 60 -0.648 -5.824 -7.297 1.00 15.00 C ATOM 0 H ALA A 60 -1.143 -4.627 -4.647 1.00 15.00 H new ATOM 0 HA ALA A 60 0.700 -6.577 -5.793 1.00 15.00 H new ATOM 0 HB1 ALA A 60 0.070 -5.904 -8.113 1.00 15.00 H new ATOM 0 HB2 ALA A 60 -1.271 -6.718 -7.273 1.00 15.00 H new ATOM 0 HB3 ALA A 60 -1.277 -4.947 -7.452 1.00 15.00 H new ATOM 883 N VAL A 61 2.262 -4.770 -6.529 1.00 15.00 N ATOM 884 CA VAL A 61 3.293 -3.750 -6.686 1.00 15.00 C ATOM 885 C VAL A 61 4.012 -3.968 -8.005 1.00 15.00 C ATOM 886 O VAL A 61 4.842 -4.869 -8.127 1.00 15.00 O ATOM 887 CB VAL A 61 4.320 -3.784 -5.540 1.00 15.00 C ATOM 888 CG1 VAL A 61 5.222 -2.562 -5.596 1.00 15.00 C ATOM 889 CG2 VAL A 61 3.618 -3.877 -4.197 1.00 15.00 C ATOM 0 H VAL A 61 2.552 -5.701 -6.827 1.00 15.00 H new ATOM 0 HA VAL A 61 2.804 -2.776 -6.667 1.00 15.00 H new ATOM 0 HB VAL A 61 4.942 -4.671 -5.660 1.00 15.00 H new ATOM 0 HG11 VAL A 61 5.942 -2.603 -4.778 1.00 15.00 H new ATOM 0 HG12 VAL A 61 5.754 -2.546 -6.547 1.00 15.00 H new ATOM 0 HG13 VAL A 61 4.618 -1.659 -5.503 1.00 15.00 H new ATOM 0 HG21 VAL A 61 4.360 -3.900 -3.399 1.00 15.00 H new ATOM 0 HG22 VAL A 61 2.970 -3.011 -4.065 1.00 15.00 H new ATOM 0 HG23 VAL A 61 3.019 -4.787 -4.162 1.00 15.00 H new ATOM 899 N ASN A 62 3.660 -3.169 -9.005 1.00 15.00 N ATOM 900 CA ASN A 62 4.247 -3.313 -10.328 1.00 15.00 C ATOM 901 C ASN A 62 3.842 -4.661 -10.927 1.00 15.00 C ATOM 902 O ASN A 62 4.433 -5.125 -11.902 1.00 15.00 O ATOM 903 CB ASN A 62 5.772 -3.193 -10.262 1.00 15.00 C ATOM 904 CG ASN A 62 6.243 -1.753 -10.329 1.00 15.00 C ATOM 905 OD1 ASN A 62 7.129 -1.414 -11.113 1.00 15.00 O ATOM 906 ND2 ASN A 62 5.652 -0.896 -9.502 1.00 15.00 N ATOM 0 H ASN A 62 2.974 -2.418 -8.924 1.00 15.00 H new ATOM 0 HA ASN A 62 3.874 -2.512 -10.966 1.00 15.00 H new ATOM 0 HB2 ASN A 62 6.130 -3.647 -9.338 1.00 15.00 H new ATOM 0 HB3 ASN A 62 6.214 -3.755 -11.085 1.00 15.00 H new ATOM 0 HD21 ASN A 62 5.929 0.086 -9.501 1.00 15.00 H new ATOM 0 HD22 ASN A 62 4.922 -1.220 -8.868 1.00 15.00 H new ATOM 913 N GLY A 63 2.820 -5.281 -10.328 1.00 15.00 N ATOM 914 CA GLY A 63 2.333 -6.564 -10.800 1.00 15.00 C ATOM 915 C GLY A 63 2.708 -7.720 -9.890 1.00 15.00 C ATOM 916 O GLY A 63 2.433 -8.876 -10.209 1.00 15.00 O ATOM 0 H GLY A 63 2.321 -4.910 -9.519 1.00 15.00 H new ATOM 0 HA2 GLY A 63 1.248 -6.521 -10.893 1.00 15.00 H new ATOM 0 HA3 GLY A 63 2.731 -6.752 -11.797 1.00 15.00 H new ATOM 920 N VAL A 64 3.329 -7.417 -8.752 1.00 15.00 N ATOM 921 CA VAL A 64 3.723 -8.456 -7.807 1.00 15.00 C ATOM 922 C VAL A 64 2.649 -8.662 -6.738 1.00 15.00 C ATOM 923 O VAL A 64 2.452 -7.815 -5.868 1.00 15.00 O ATOM 924 CB VAL A 64 5.078 -8.133 -7.138 1.00 15.00 C ATOM 925 CG1 VAL A 64 4.934 -7.047 -6.084 1.00 15.00 C ATOM 926 CG2 VAL A 64 5.687 -9.390 -6.536 1.00 15.00 C ATOM 0 H VAL A 64 3.568 -6.468 -8.465 1.00 15.00 H new ATOM 0 HA VAL A 64 3.835 -9.379 -8.375 1.00 15.00 H new ATOM 0 HB VAL A 64 5.749 -7.756 -7.909 1.00 15.00 H new ATOM 0 HG11 VAL A 64 5.906 -6.845 -5.634 1.00 15.00 H new ATOM 0 HG12 VAL A 64 4.553 -6.137 -6.548 1.00 15.00 H new ATOM 0 HG13 VAL A 64 4.239 -7.379 -5.313 1.00 15.00 H new ATOM 0 HG21 VAL A 64 6.641 -9.144 -6.069 1.00 15.00 H new ATOM 0 HG22 VAL A 64 5.010 -9.799 -5.786 1.00 15.00 H new ATOM 0 HG23 VAL A 64 5.847 -10.129 -7.321 1.00 15.00 H new ATOM 936 N SER A 65 1.953 -9.791 -6.814 1.00 15.00 N ATOM 937 CA SER A 65 0.897 -10.103 -5.857 1.00 15.00 C ATOM 938 C SER A 65 1.431 -10.091 -4.428 1.00 15.00 C ATOM 939 O SER A 65 2.523 -10.592 -4.157 1.00 15.00 O ATOM 940 CB SER A 65 0.280 -11.467 -6.172 1.00 15.00 C ATOM 941 OG SER A 65 0.306 -11.729 -7.565 1.00 15.00 O ATOM 0 H SER A 65 2.101 -10.505 -7.527 1.00 15.00 H new ATOM 0 HA SER A 65 0.128 -9.335 -5.943 1.00 15.00 H new ATOM 0 HB2 SER A 65 0.825 -12.248 -5.642 1.00 15.00 H new ATOM 0 HB3 SER A 65 -0.749 -11.496 -5.812 1.00 15.00 H new ATOM 0 HG SER A 65 -0.092 -12.607 -7.740 1.00 15.00 H new ATOM 947 N LEU A 66 0.652 -9.515 -3.518 1.00 15.00 N ATOM 948 CA LEU A 66 1.042 -9.436 -2.115 1.00 15.00 C ATOM 949 C LEU A 66 0.394 -10.555 -1.303 1.00 15.00 C ATOM 950 O LEU A 66 0.892 -10.931 -0.241 1.00 15.00 O ATOM 951 CB LEU A 66 0.652 -8.073 -1.535 1.00 15.00 C ATOM 952 CG LEU A 66 1.785 -7.315 -0.841 1.00 15.00 C ATOM 953 CD1 LEU A 66 2.185 -8.016 0.448 1.00 15.00 C ATOM 954 CD2 LEU A 66 2.983 -7.175 -1.771 1.00 15.00 C ATOM 0 H LEU A 66 -0.254 -9.096 -3.728 1.00 15.00 H new ATOM 0 HA LEU A 66 2.124 -9.554 -2.056 1.00 15.00 H new ATOM 0 HB2 LEU A 66 0.260 -7.452 -2.340 1.00 15.00 H new ATOM 0 HB3 LEU A 66 -0.158 -8.218 -0.821 1.00 15.00 H new ATOM 0 HG LEU A 66 1.428 -6.316 -0.591 1.00 15.00 H new ATOM 0 HD11 LEU A 66 2.992 -7.462 0.928 1.00 15.00 H new ATOM 0 HD12 LEU A 66 1.327 -8.061 1.119 1.00 15.00 H new ATOM 0 HD13 LEU A 66 2.523 -9.027 0.222 1.00 15.00 H new ATOM 0 HD21 LEU A 66 3.779 -6.633 -1.260 1.00 15.00 H new ATOM 0 HD22 LEU A 66 3.341 -8.165 -2.054 1.00 15.00 H new ATOM 0 HD23 LEU A 66 2.687 -6.627 -2.665 1.00 15.00 H new ATOM 966 N GLU A 67 -0.717 -11.085 -1.808 1.00 15.00 N ATOM 967 CA GLU A 67 -1.433 -12.163 -1.130 1.00 15.00 C ATOM 968 C GLU A 67 -0.475 -13.267 -0.690 1.00 15.00 C ATOM 969 O GLU A 67 -0.015 -14.066 -1.506 1.00 15.00 O ATOM 970 CB GLU A 67 -2.512 -12.740 -2.050 1.00 15.00 C ATOM 971 CG GLU A 67 -3.916 -12.645 -1.474 1.00 15.00 C ATOM 972 CD GLU A 67 -4.868 -11.884 -2.377 1.00 15.00 C ATOM 973 OE1 GLU A 67 -4.921 -12.200 -3.584 1.00 15.00 O ATOM 974 OE2 GLU A 67 -5.560 -10.973 -1.876 1.00 15.00 O ATOM 0 H GLU A 67 -1.142 -10.785 -2.686 1.00 15.00 H new ATOM 0 HA GLU A 67 -1.906 -11.748 -0.240 1.00 15.00 H new ATOM 0 HB2 GLU A 67 -2.483 -12.214 -3.004 1.00 15.00 H new ATOM 0 HB3 GLU A 67 -2.282 -13.786 -2.255 1.00 15.00 H new ATOM 0 HG2 GLU A 67 -4.305 -13.650 -1.307 1.00 15.00 H new ATOM 0 HG3 GLU A 67 -3.873 -12.154 -0.502 1.00 15.00 H new ATOM 981 N GLY A 68 -0.177 -13.301 0.604 1.00 15.00 N ATOM 982 CA GLY A 68 0.726 -14.307 1.131 1.00 15.00 C ATOM 983 C GLY A 68 2.064 -13.722 1.538 1.00 15.00 C ATOM 984 O GLY A 68 3.113 -14.175 1.081 1.00 15.00 O ATOM 0 H GLY A 68 -0.545 -12.650 1.298 1.00 15.00 H new ATOM 0 HA2 GLY A 68 0.266 -14.790 1.993 1.00 15.00 H new ATOM 0 HA3 GLY A 68 0.884 -15.080 0.379 1.00 15.00 H new ATOM 988 N ALA A 69 2.025 -12.711 2.400 1.00 15.00 N ATOM 989 CA ALA A 69 3.241 -12.060 2.870 1.00 15.00 C ATOM 990 C ALA A 69 2.931 -11.053 3.973 1.00 15.00 C ATOM 991 O ALA A 69 1.876 -10.425 3.974 1.00 15.00 O ATOM 992 CB ALA A 69 3.954 -11.379 1.711 1.00 15.00 C ATOM 0 H ALA A 69 1.164 -12.325 2.787 1.00 15.00 H new ATOM 0 HA ALA A 69 3.898 -12.823 3.287 1.00 15.00 H new ATOM 0 HB1 ALA A 69 4.861 -10.896 2.075 1.00 15.00 H new ATOM 0 HB2 ALA A 69 4.216 -12.122 0.958 1.00 15.00 H new ATOM 0 HB3 ALA A 69 3.297 -10.630 1.269 1.00 15.00 H new ATOM 998 N THR A 70 3.855 -10.906 4.913 1.00 15.00 N ATOM 999 CA THR A 70 3.673 -9.978 6.022 1.00 15.00 C ATOM 1000 C THR A 70 3.817 -8.531 5.557 1.00 15.00 C ATOM 1001 O THR A 70 3.913 -8.253 4.362 1.00 15.00 O ATOM 1002 CB THR A 70 4.691 -10.268 7.126 1.00 15.00 C ATOM 1003 OG1 THR A 70 5.968 -9.765 6.773 1.00 15.00 O ATOM 1004 CG2 THR A 70 4.845 -11.743 7.428 1.00 15.00 C ATOM 0 H THR A 70 4.738 -11.417 4.930 1.00 15.00 H new ATOM 0 HA THR A 70 2.665 -10.116 6.413 1.00 15.00 H new ATOM 0 HB THR A 70 4.302 -9.772 8.015 1.00 15.00 H new ATOM 0 HG1 THR A 70 6.606 -9.958 7.492 1.00 15.00 H new ATOM 0 HG21 THR A 70 5.582 -11.877 8.220 1.00 15.00 H new ATOM 0 HG22 THR A 70 3.887 -12.150 7.751 1.00 15.00 H new ATOM 0 HG23 THR A 70 5.177 -12.265 6.531 1.00 15.00 H new ATOM 1012 N HIS A 71 3.826 -7.617 6.519 1.00 15.00 N ATOM 1013 CA HIS A 71 3.952 -6.193 6.238 1.00 15.00 C ATOM 1014 C HIS A 71 5.314 -5.881 5.632 1.00 15.00 C ATOM 1015 O HIS A 71 5.404 -5.350 4.525 1.00 15.00 O ATOM 1016 CB HIS A 71 3.706 -5.407 7.537 1.00 15.00 C ATOM 1017 CG HIS A 71 4.588 -4.218 7.777 1.00 15.00 C ATOM 1018 ND1 HIS A 71 4.928 -3.802 9.045 1.00 15.00 N ATOM 1019 CD2 HIS A 71 5.164 -3.335 6.927 1.00 15.00 C ATOM 1020 CE1 HIS A 71 5.666 -2.713 8.968 1.00 15.00 C ATOM 1021 NE2 HIS A 71 5.830 -2.408 7.694 1.00 15.00 N ATOM 0 H HIS A 71 3.747 -7.840 7.511 1.00 15.00 H new ATOM 0 HA HIS A 71 3.206 -5.892 5.502 1.00 15.00 H new ATOM 0 HB2 HIS A 71 2.670 -5.069 7.540 1.00 15.00 H new ATOM 0 HB3 HIS A 71 3.821 -6.092 8.377 1.00 15.00 H new ATOM 0 HD1 HIS A 71 4.651 -4.265 9.910 1.00 15.00 H new ATOM 0 HD2 HIS A 71 5.110 -3.355 5.849 1.00 15.00 H new ATOM 0 HE1 HIS A 71 6.069 -2.163 9.806 1.00 15.00 H new ATOM 1030 N LYS A 72 6.372 -6.224 6.354 1.00 15.00 N ATOM 1031 CA LYS A 72 7.727 -5.989 5.871 1.00 15.00 C ATOM 1032 C LYS A 72 7.900 -6.577 4.478 1.00 15.00 C ATOM 1033 O LYS A 72 8.628 -6.033 3.651 1.00 15.00 O ATOM 1034 CB LYS A 72 8.745 -6.598 6.835 1.00 15.00 C ATOM 1035 CG LYS A 72 10.175 -6.160 6.566 1.00 15.00 C ATOM 1036 CD LYS A 72 11.165 -6.916 7.439 1.00 15.00 C ATOM 1037 CE LYS A 72 11.199 -8.396 7.093 1.00 15.00 C ATOM 1038 NZ LYS A 72 12.508 -8.799 6.509 1.00 15.00 N ATOM 0 H LYS A 72 6.320 -6.664 7.273 1.00 15.00 H new ATOM 0 HA LYS A 72 7.897 -4.914 5.818 1.00 15.00 H new ATOM 0 HB2 LYS A 72 8.476 -6.324 7.855 1.00 15.00 H new ATOM 0 HB3 LYS A 72 8.689 -7.685 6.771 1.00 15.00 H new ATOM 0 HG2 LYS A 72 10.415 -6.325 5.516 1.00 15.00 H new ATOM 0 HG3 LYS A 72 10.269 -5.090 6.750 1.00 15.00 H new ATOM 0 HD2 LYS A 72 12.160 -6.490 7.315 1.00 15.00 H new ATOM 0 HD3 LYS A 72 10.894 -6.793 8.488 1.00 15.00 H new ATOM 0 HE2 LYS A 72 11.006 -8.983 7.991 1.00 15.00 H new ATOM 0 HE3 LYS A 72 10.401 -8.622 6.386 1.00 15.00 H new ATOM 0 HZ1 LYS A 72 12.491 -9.815 6.287 1.00 15.00 H new ATOM 0 HZ2 LYS A 72 12.681 -8.257 5.639 1.00 15.00 H new ATOM 0 HZ3 LYS A 72 13.267 -8.607 7.193 1.00 15.00 H new ATOM 1052 N GLN A 73 7.207 -7.682 4.214 1.00 15.00 N ATOM 1053 CA GLN A 73 7.277 -8.316 2.905 1.00 15.00 C ATOM 1054 C GLN A 73 6.811 -7.331 1.843 1.00 15.00 C ATOM 1055 O GLN A 73 7.491 -7.114 0.840 1.00 15.00 O ATOM 1056 CB GLN A 73 6.420 -9.583 2.871 1.00 15.00 C ATOM 1057 CG GLN A 73 6.942 -10.692 3.770 1.00 15.00 C ATOM 1058 CD GLN A 73 6.648 -12.075 3.223 1.00 15.00 C ATOM 1059 OE1 GLN A 73 6.034 -12.904 3.895 1.00 15.00 O ATOM 1060 NE2 GLN A 73 7.089 -12.333 1.997 1.00 15.00 N ATOM 0 H GLN A 73 6.597 -8.151 4.883 1.00 15.00 H new ATOM 0 HA GLN A 73 8.309 -8.603 2.703 1.00 15.00 H new ATOM 0 HB2 GLN A 73 5.402 -9.332 3.170 1.00 15.00 H new ATOM 0 HB3 GLN A 73 6.369 -9.950 1.846 1.00 15.00 H new ATOM 0 HG2 GLN A 73 8.019 -10.576 3.895 1.00 15.00 H new ATOM 0 HG3 GLN A 73 6.494 -10.594 4.759 1.00 15.00 H new ATOM 0 HE21 GLN A 73 7.594 -11.616 1.475 1.00 15.00 H new ATOM 0 HE22 GLN A 73 6.923 -13.248 1.577 1.00 15.00 H new ATOM 1069 N ALA A 74 5.661 -6.708 2.091 1.00 15.00 N ATOM 1070 CA ALA A 74 5.127 -5.715 1.172 1.00 15.00 C ATOM 1071 C ALA A 74 6.030 -4.494 1.161 1.00 15.00 C ATOM 1072 O ALA A 74 6.364 -3.965 0.104 1.00 15.00 O ATOM 1073 CB ALA A 74 3.715 -5.324 1.556 1.00 15.00 C ATOM 0 H ALA A 74 5.086 -6.874 2.917 1.00 15.00 H new ATOM 0 HA ALA A 74 5.093 -6.147 0.172 1.00 15.00 H new ATOM 0 HB1 ALA A 74 3.339 -4.581 0.853 1.00 15.00 H new ATOM 0 HB2 ALA A 74 3.074 -6.205 1.530 1.00 15.00 H new ATOM 0 HB3 ALA A 74 3.714 -4.905 2.562 1.00 15.00 H new ATOM 1079 N VAL A 75 6.449 -4.067 2.355 1.00 15.00 N ATOM 1080 CA VAL A 75 7.350 -2.927 2.487 1.00 15.00 C ATOM 1081 C VAL A 75 8.449 -3.052 1.447 1.00 15.00 C ATOM 1082 O VAL A 75 8.854 -2.076 0.817 1.00 15.00 O ATOM 1083 CB VAL A 75 7.953 -2.872 3.914 1.00 15.00 C ATOM 1084 CG1 VAL A 75 9.443 -3.196 3.924 1.00 15.00 C ATOM 1085 CG2 VAL A 75 7.703 -1.524 4.557 1.00 15.00 C ATOM 0 H VAL A 75 6.178 -4.495 3.240 1.00 15.00 H new ATOM 0 HA VAL A 75 6.797 -2.002 2.325 1.00 15.00 H new ATOM 0 HB VAL A 75 7.447 -3.640 4.499 1.00 15.00 H new ATOM 0 HG11 VAL A 75 9.820 -3.145 4.946 1.00 15.00 H new ATOM 0 HG12 VAL A 75 9.600 -4.200 3.530 1.00 15.00 H new ATOM 0 HG13 VAL A 75 9.976 -2.475 3.304 1.00 15.00 H new ATOM 0 HG21 VAL A 75 8.136 -1.512 5.557 1.00 15.00 H new ATOM 0 HG22 VAL A 75 8.163 -0.742 3.953 1.00 15.00 H new ATOM 0 HG23 VAL A 75 6.630 -1.346 4.624 1.00 15.00 H new ATOM 1095 N GLU A 76 8.895 -4.286 1.259 1.00 15.00 N ATOM 1096 CA GLU A 76 9.917 -4.585 0.275 1.00 15.00 C ATOM 1097 C GLU A 76 9.374 -4.355 -1.133 1.00 15.00 C ATOM 1098 O GLU A 76 10.040 -3.750 -1.967 1.00 15.00 O ATOM 1099 CB GLU A 76 10.395 -6.032 0.423 1.00 15.00 C ATOM 1100 CG GLU A 76 10.637 -6.451 1.865 1.00 15.00 C ATOM 1101 CD GLU A 76 11.975 -7.138 2.056 1.00 15.00 C ATOM 1102 OE1 GLU A 76 13.009 -6.437 2.055 1.00 15.00 O ATOM 1103 OE2 GLU A 76 11.989 -8.378 2.209 1.00 15.00 O ATOM 0 H GLU A 76 8.561 -5.097 1.779 1.00 15.00 H new ATOM 0 HA GLU A 76 10.764 -3.919 0.441 1.00 15.00 H new ATOM 0 HB2 GLU A 76 9.654 -6.697 -0.020 1.00 15.00 H new ATOM 0 HB3 GLU A 76 11.318 -6.160 -0.143 1.00 15.00 H new ATOM 0 HG2 GLU A 76 10.589 -5.572 2.508 1.00 15.00 H new ATOM 0 HG3 GLU A 76 9.839 -7.122 2.183 1.00 15.00 H new ATOM 1110 N THR A 77 8.156 -4.840 -1.392 1.00 15.00 N ATOM 1111 CA THR A 77 7.536 -4.675 -2.706 1.00 15.00 C ATOM 1112 C THR A 77 7.279 -3.206 -3.025 1.00 15.00 C ATOM 1113 O THR A 77 7.718 -2.704 -4.060 1.00 15.00 O ATOM 1114 CB THR A 77 6.229 -5.460 -2.796 1.00 15.00 C ATOM 1115 OG1 THR A 77 5.363 -5.128 -1.728 1.00 15.00 O ATOM 1116 CG2 THR A 77 6.429 -6.959 -2.782 1.00 15.00 C ATOM 0 H THR A 77 7.585 -5.346 -0.714 1.00 15.00 H new ATOM 0 HA THR A 77 8.237 -5.068 -3.442 1.00 15.00 H new ATOM 0 HB THR A 77 5.792 -5.178 -3.754 1.00 15.00 H new ATOM 0 HG1 THR A 77 5.834 -4.549 -1.093 1.00 15.00 H new ATOM 0 HG21 THR A 77 5.461 -7.456 -2.849 1.00 15.00 H new ATOM 0 HG22 THR A 77 7.046 -7.252 -3.631 1.00 15.00 H new ATOM 0 HG23 THR A 77 6.924 -7.251 -1.856 1.00 15.00 H new ATOM 1124 N LEU A 78 6.564 -2.515 -2.136 1.00 15.00 N ATOM 1125 CA LEU A 78 6.257 -1.100 -2.346 1.00 15.00 C ATOM 1126 C LEU A 78 7.538 -0.328 -2.610 1.00 15.00 C ATOM 1127 O LEU A 78 7.627 0.457 -3.555 1.00 15.00 O ATOM 1128 CB LEU A 78 5.547 -0.503 -1.125 1.00 15.00 C ATOM 1129 CG LEU A 78 4.545 -1.422 -0.424 1.00 15.00 C ATOM 1130 CD1 LEU A 78 3.795 -0.660 0.659 1.00 15.00 C ATOM 1131 CD2 LEU A 78 3.572 -2.021 -1.430 1.00 15.00 C ATOM 0 H LEU A 78 6.190 -2.907 -1.272 1.00 15.00 H new ATOM 0 HA LEU A 78 5.593 -1.022 -3.207 1.00 15.00 H new ATOM 0 HB2 LEU A 78 6.303 -0.201 -0.400 1.00 15.00 H new ATOM 0 HB3 LEU A 78 5.025 0.401 -1.438 1.00 15.00 H new ATOM 0 HG LEU A 78 5.095 -2.238 0.046 1.00 15.00 H new ATOM 0 HD11 LEU A 78 3.086 -1.327 1.149 1.00 15.00 H new ATOM 0 HD12 LEU A 78 4.504 -0.281 1.395 1.00 15.00 H new ATOM 0 HD13 LEU A 78 3.257 0.175 0.210 1.00 15.00 H new ATOM 0 HD21 LEU A 78 2.867 -2.672 -0.912 1.00 15.00 H new ATOM 0 HD22 LEU A 78 3.027 -1.220 -1.930 1.00 15.00 H new ATOM 0 HD23 LEU A 78 4.124 -2.600 -2.170 1.00 15.00 H new ATOM 1143 N ARG A 79 8.531 -0.571 -1.770 1.00 15.00 N ATOM 1144 CA ARG A 79 9.822 0.080 -1.900 1.00 15.00 C ATOM 1145 C ARG A 79 10.546 -0.410 -3.153 1.00 15.00 C ATOM 1146 O ARG A 79 10.883 0.378 -4.036 1.00 15.00 O ATOM 1147 CB ARG A 79 10.662 -0.199 -0.653 1.00 15.00 C ATOM 1148 CG ARG A 79 11.651 0.908 -0.323 1.00 15.00 C ATOM 1149 CD ARG A 79 13.080 0.391 -0.290 1.00 15.00 C ATOM 1150 NE ARG A 79 13.962 1.268 0.476 1.00 15.00 N ATOM 1151 CZ ARG A 79 13.984 1.319 1.805 1.00 15.00 C ATOM 1152 NH1 ARG A 79 13.172 0.548 2.518 1.00 15.00 N ATOM 1153 NH2 ARG A 79 14.818 2.144 2.424 1.00 15.00 N ATOM 0 H ARG A 79 8.465 -1.220 -0.986 1.00 15.00 H new ATOM 0 HA ARG A 79 9.671 1.155 -1.996 1.00 15.00 H new ATOM 0 HB2 ARG A 79 9.996 -0.345 0.198 1.00 15.00 H new ATOM 0 HB3 ARG A 79 11.208 -1.132 -0.794 1.00 15.00 H new ATOM 0 HG2 ARG A 79 11.568 1.703 -1.064 1.00 15.00 H new ATOM 0 HG3 ARG A 79 11.399 1.345 0.643 1.00 15.00 H new ATOM 0 HD2 ARG A 79 13.094 -0.608 0.146 1.00 15.00 H new ATOM 0 HD3 ARG A 79 13.456 0.299 -1.309 1.00 15.00 H new ATOM 0 HE ARG A 79 14.598 1.877 -0.038 1.00 15.00 H new ATOM 0 HH11 ARG A 79 12.528 -0.087 2.047 1.00 15.00 H new ATOM 0 HH12 ARG A 79 13.193 0.591 3.537 1.00 15.00 H new ATOM 0 HH21 ARG A 79 15.443 2.740 1.881 1.00 15.00 H new ATOM 0 HH22 ARG A 79 14.834 2.183 3.443 1.00 15.00 H new ATOM 1167 N ASN A 80 10.782 -1.718 -3.215 1.00 15.00 N ATOM 1168 CA ASN A 80 11.467 -2.337 -4.349 1.00 15.00 C ATOM 1169 C ASN A 80 10.652 -2.249 -5.642 1.00 15.00 C ATOM 1170 O ASN A 80 10.328 -3.272 -6.245 1.00 15.00 O ATOM 1171 CB ASN A 80 11.773 -3.804 -4.040 1.00 15.00 C ATOM 1172 CG ASN A 80 12.631 -3.968 -2.801 1.00 15.00 C ATOM 1173 OD1 ASN A 80 13.538 -3.173 -2.551 1.00 15.00 O ATOM 1174 ND2 ASN A 80 12.351 -5.003 -2.018 1.00 15.00 N ATOM 0 H ASN A 80 10.506 -2.376 -2.486 1.00 15.00 H new ATOM 0 HA ASN A 80 12.394 -1.784 -4.503 1.00 15.00 H new ATOM 0 HB2 ASN A 80 10.837 -4.347 -3.905 1.00 15.00 H new ATOM 0 HB3 ASN A 80 12.282 -4.253 -4.893 1.00 15.00 H new ATOM 0 HD21 ASN A 80 12.896 -5.164 -1.171 1.00 15.00 H new ATOM 0 HD22 ASN A 80 11.590 -5.637 -2.263 1.00 15.00 H new ATOM 1181 N THR A 81 10.340 -1.035 -6.081 1.00 15.00 N ATOM 1182 CA THR A 81 9.586 -0.855 -7.317 1.00 15.00 C ATOM 1183 C THR A 81 10.542 -0.604 -8.480 1.00 15.00 C ATOM 1184 O THR A 81 10.736 -1.469 -9.333 1.00 15.00 O ATOM 1185 CB THR A 81 8.588 0.298 -7.187 1.00 15.00 C ATOM 1186 OG1 THR A 81 8.809 1.025 -5.991 1.00 15.00 O ATOM 1187 CG2 THR A 81 7.145 -0.161 -7.186 1.00 15.00 C ATOM 0 H THR A 81 10.594 -0.169 -5.606 1.00 15.00 H new ATOM 0 HA THR A 81 9.022 -1.767 -7.512 1.00 15.00 H new ATOM 0 HB THR A 81 8.755 0.925 -8.063 1.00 15.00 H new ATOM 0 HG1 THR A 81 8.278 0.633 -5.267 1.00 15.00 H new ATOM 0 HG21 THR A 81 6.488 0.704 -7.091 1.00 15.00 H new ATOM 0 HG22 THR A 81 6.928 -0.681 -8.119 1.00 15.00 H new ATOM 0 HG23 THR A 81 6.979 -0.837 -6.347 1.00 15.00 H new ATOM 1195 N GLY A 82 11.150 0.578 -8.497 1.00 15.00 N ATOM 1196 CA GLY A 82 12.091 0.913 -9.544 1.00 15.00 C ATOM 1197 C GLY A 82 11.704 2.156 -10.317 1.00 15.00 C ATOM 1198 O GLY A 82 11.857 3.277 -9.831 1.00 15.00 O ATOM 0 H GLY A 82 11.006 1.310 -7.801 1.00 15.00 H new ATOM 0 HA2 GLY A 82 13.078 1.059 -9.104 1.00 15.00 H new ATOM 0 HA3 GLY A 82 12.171 0.073 -10.235 1.00 15.00 H new ATOM 1202 N GLN A 83 11.221 1.949 -11.531 1.00 15.00 N ATOM 1203 CA GLN A 83 10.823 3.050 -12.405 1.00 15.00 C ATOM 1204 C GLN A 83 9.637 3.833 -11.842 1.00 15.00 C ATOM 1205 O GLN A 83 9.811 4.896 -11.245 1.00 15.00 O ATOM 1206 CB GLN A 83 10.493 2.538 -13.815 1.00 15.00 C ATOM 1207 CG GLN A 83 9.885 1.142 -13.850 1.00 15.00 C ATOM 1208 CD GLN A 83 8.770 1.017 -14.869 1.00 15.00 C ATOM 1209 OE1 GLN A 83 7.619 1.356 -14.593 1.00 15.00 O ATOM 1210 NE2 GLN A 83 9.106 0.526 -16.057 1.00 15.00 N ATOM 0 H GLN A 83 11.093 1.023 -11.940 1.00 15.00 H new ATOM 0 HA GLN A 83 11.673 3.730 -12.462 1.00 15.00 H new ATOM 0 HB2 GLN A 83 9.801 3.235 -14.289 1.00 15.00 H new ATOM 0 HB3 GLN A 83 11.405 2.539 -14.412 1.00 15.00 H new ATOM 0 HG2 GLN A 83 10.665 0.416 -14.079 1.00 15.00 H new ATOM 0 HG3 GLN A 83 9.498 0.893 -12.862 1.00 15.00 H new ATOM 0 HE21 GLN A 83 10.072 0.258 -16.243 1.00 15.00 H new ATOM 0 HE22 GLN A 83 8.398 0.418 -16.783 1.00 15.00 H new ATOM 1219 N VAL A 84 8.433 3.312 -12.053 1.00 15.00 N ATOM 1220 CA VAL A 84 7.217 3.966 -11.586 1.00 15.00 C ATOM 1221 C VAL A 84 6.576 3.187 -10.441 1.00 15.00 C ATOM 1222 O VAL A 84 6.822 1.993 -10.267 1.00 15.00 O ATOM 1223 CB VAL A 84 6.203 4.129 -12.740 1.00 15.00 C ATOM 1224 CG1 VAL A 84 4.867 4.657 -12.235 1.00 15.00 C ATOM 1225 CG2 VAL A 84 6.769 5.053 -13.807 1.00 15.00 C ATOM 0 H VAL A 84 8.273 2.434 -12.547 1.00 15.00 H new ATOM 0 HA VAL A 84 7.497 4.953 -11.219 1.00 15.00 H new ATOM 0 HB VAL A 84 6.028 3.146 -13.177 1.00 15.00 H new ATOM 0 HG11 VAL A 84 4.177 4.760 -13.072 1.00 15.00 H new ATOM 0 HG12 VAL A 84 4.452 3.960 -11.506 1.00 15.00 H new ATOM 0 HG13 VAL A 84 5.014 5.629 -11.764 1.00 15.00 H new ATOM 0 HG21 VAL A 84 6.046 5.161 -14.616 1.00 15.00 H new ATOM 0 HG22 VAL A 84 6.974 6.031 -13.370 1.00 15.00 H new ATOM 0 HG23 VAL A 84 7.694 4.631 -14.201 1.00 15.00 H new ATOM 1235 N VAL A 85 5.746 3.872 -9.668 1.00 15.00 N ATOM 1236 CA VAL A 85 5.066 3.254 -8.543 1.00 15.00 C ATOM 1237 C VAL A 85 3.648 2.842 -8.934 1.00 15.00 C ATOM 1238 O VAL A 85 2.680 3.549 -8.655 1.00 15.00 O ATOM 1239 CB VAL A 85 5.033 4.217 -7.331 1.00 15.00 C ATOM 1240 CG1 VAL A 85 3.936 3.847 -6.343 1.00 15.00 C ATOM 1241 CG2 VAL A 85 6.390 4.246 -6.643 1.00 15.00 C ATOM 0 H VAL A 85 5.528 4.859 -9.801 1.00 15.00 H new ATOM 0 HA VAL A 85 5.620 2.359 -8.258 1.00 15.00 H new ATOM 0 HB VAL A 85 4.806 5.215 -7.707 1.00 15.00 H new ATOM 0 HG11 VAL A 85 3.947 4.547 -5.508 1.00 15.00 H new ATOM 0 HG12 VAL A 85 2.967 3.892 -6.841 1.00 15.00 H new ATOM 0 HG13 VAL A 85 4.107 2.837 -5.972 1.00 15.00 H new ATOM 0 HG21 VAL A 85 6.352 4.927 -5.793 1.00 15.00 H new ATOM 0 HG22 VAL A 85 6.643 3.245 -6.295 1.00 15.00 H new ATOM 0 HG23 VAL A 85 7.148 4.587 -7.348 1.00 15.00 H new ATOM 1251 N HIS A 86 3.541 1.687 -9.584 1.00 15.00 N ATOM 1252 CA HIS A 86 2.247 1.167 -10.015 1.00 15.00 C ATOM 1253 C HIS A 86 1.757 0.094 -9.050 1.00 15.00 C ATOM 1254 O HIS A 86 1.968 -1.099 -9.270 1.00 15.00 O ATOM 1255 CB HIS A 86 2.346 0.592 -11.429 1.00 15.00 C ATOM 1256 CG HIS A 86 1.060 0.667 -12.193 1.00 15.00 C ATOM 1257 ND1 HIS A 86 -0.168 0.820 -11.584 1.00 15.00 N ATOM 1258 CD2 HIS A 86 0.814 0.610 -13.523 1.00 15.00 C ATOM 1259 CE1 HIS A 86 -1.113 0.854 -12.506 1.00 15.00 C ATOM 1260 NE2 HIS A 86 -0.544 0.730 -13.691 1.00 15.00 N ATOM 0 H HIS A 86 4.335 1.093 -9.824 1.00 15.00 H new ATOM 0 HA HIS A 86 1.532 1.989 -10.020 1.00 15.00 H new ATOM 0 HB2 HIS A 86 3.118 1.130 -11.979 1.00 15.00 H new ATOM 0 HB3 HIS A 86 2.664 -0.449 -11.369 1.00 15.00 H new ATOM 0 HD2 HIS A 86 1.549 0.492 -14.306 1.00 15.00 H new ATOM 0 HE1 HIS A 86 -2.171 0.964 -12.322 1.00 15.00 H new ATOM 0 HE2 HIS A 86 -1.033 0.724 -14.586 1.00 15.00 H new ATOM 1269 N LEU A 87 1.118 0.530 -7.971 1.00 15.00 N ATOM 1270 CA LEU A 87 0.613 -0.384 -6.956 1.00 15.00 C ATOM 1271 C LEU A 87 -0.898 -0.571 -7.059 1.00 15.00 C ATOM 1272 O LEU A 87 -1.662 0.376 -6.888 1.00 15.00 O ATOM 1273 CB LEU A 87 0.969 0.144 -5.566 1.00 15.00 C ATOM 1274 CG LEU A 87 1.909 -0.746 -4.762 1.00 15.00 C ATOM 1275 CD1 LEU A 87 3.055 0.067 -4.178 1.00 15.00 C ATOM 1276 CD2 LEU A 87 1.142 -1.459 -3.660 1.00 15.00 C ATOM 0 H LEU A 87 0.937 1.515 -7.777 1.00 15.00 H new ATOM 0 HA LEU A 87 1.081 -1.354 -7.121 1.00 15.00 H new ATOM 0 HB2 LEU A 87 1.427 1.127 -5.673 1.00 15.00 H new ATOM 0 HB3 LEU A 87 0.048 0.281 -4.999 1.00 15.00 H new ATOM 0 HG LEU A 87 2.333 -1.494 -5.432 1.00 15.00 H new ATOM 0 HD11 LEU A 87 3.713 -0.589 -3.608 1.00 15.00 H new ATOM 0 HD12 LEU A 87 3.619 0.534 -4.986 1.00 15.00 H new ATOM 0 HD13 LEU A 87 2.655 0.839 -3.521 1.00 15.00 H new ATOM 0 HD21 LEU A 87 1.824 -2.092 -3.093 1.00 15.00 H new ATOM 0 HD22 LEU A 87 0.692 -0.722 -2.994 1.00 15.00 H new ATOM 0 HD23 LEU A 87 0.359 -2.075 -4.102 1.00 15.00 H new ATOM 1288 N LEU A 88 -1.324 -1.804 -7.307 1.00 15.00 N ATOM 1289 CA LEU A 88 -2.745 -2.117 -7.395 1.00 15.00 C ATOM 1290 C LEU A 88 -3.248 -2.547 -6.024 1.00 15.00 C ATOM 1291 O LEU A 88 -2.969 -3.656 -5.569 1.00 15.00 O ATOM 1292 CB LEU A 88 -2.987 -3.222 -8.426 1.00 15.00 C ATOM 1293 CG LEU A 88 -3.150 -2.738 -9.871 1.00 15.00 C ATOM 1294 CD1 LEU A 88 -2.167 -1.617 -10.181 1.00 15.00 C ATOM 1295 CD2 LEU A 88 -2.964 -3.894 -10.842 1.00 15.00 C ATOM 0 H LEU A 88 -0.706 -2.603 -7.451 1.00 15.00 H new ATOM 0 HA LEU A 88 -3.291 -1.230 -7.718 1.00 15.00 H new ATOM 0 HB2 LEU A 88 -2.154 -3.924 -8.386 1.00 15.00 H new ATOM 0 HB3 LEU A 88 -3.883 -3.774 -8.141 1.00 15.00 H new ATOM 0 HG LEU A 88 -4.160 -2.345 -9.988 1.00 15.00 H new ATOM 0 HD11 LEU A 88 -2.302 -1.290 -11.212 1.00 15.00 H new ATOM 0 HD12 LEU A 88 -2.347 -0.779 -9.508 1.00 15.00 H new ATOM 0 HD13 LEU A 88 -1.148 -1.979 -10.045 1.00 15.00 H new ATOM 0 HD21 LEU A 88 -3.083 -3.534 -11.864 1.00 15.00 H new ATOM 0 HD22 LEU A 88 -1.966 -4.315 -10.720 1.00 15.00 H new ATOM 0 HD23 LEU A 88 -3.710 -4.663 -10.639 1.00 15.00 H new ATOM 1307 N LEU A 89 -3.957 -1.649 -5.352 1.00 15.00 N ATOM 1308 CA LEU A 89 -4.458 -1.926 -4.011 1.00 15.00 C ATOM 1309 C LEU A 89 -5.956 -2.196 -3.997 1.00 15.00 C ATOM 1310 O LEU A 89 -6.580 -2.426 -5.033 1.00 15.00 O ATOM 1311 CB LEU A 89 -4.160 -0.754 -3.073 1.00 15.00 C ATOM 1312 CG LEU A 89 -3.146 0.261 -3.583 1.00 15.00 C ATOM 1313 CD1 LEU A 89 -3.354 1.593 -2.894 1.00 15.00 C ATOM 1314 CD2 LEU A 89 -1.739 -0.242 -3.344 1.00 15.00 C ATOM 0 H LEU A 89 -4.198 -0.725 -5.712 1.00 15.00 H new ATOM 0 HA LEU A 89 -3.944 -2.824 -3.668 1.00 15.00 H new ATOM 0 HB2 LEU A 89 -5.094 -0.233 -2.865 1.00 15.00 H new ATOM 0 HB3 LEU A 89 -3.800 -1.154 -2.125 1.00 15.00 H new ATOM 0 HG LEU A 89 -3.289 0.396 -4.655 1.00 15.00 H new ATOM 0 HD11 LEU A 89 -2.624 2.313 -3.265 1.00 15.00 H new ATOM 0 HD12 LEU A 89 -4.360 1.957 -3.102 1.00 15.00 H new ATOM 0 HD13 LEU A 89 -3.227 1.470 -1.818 1.00 15.00 H new ATOM 0 HD21 LEU A 89 -1.023 0.492 -3.713 1.00 15.00 H new ATOM 0 HD22 LEU A 89 -1.584 -0.396 -2.276 1.00 15.00 H new ATOM 0 HD23 LEU A 89 -1.595 -1.185 -3.871 1.00 15.00 H new ATOM 1326 N GLU A 90 -6.517 -2.142 -2.794 1.00 15.00 N ATOM 1327 CA GLU A 90 -7.939 -2.354 -2.583 1.00 15.00 C ATOM 1328 C GLU A 90 -8.426 -1.452 -1.452 1.00 15.00 C ATOM 1329 O GLU A 90 -7.767 -1.326 -0.420 1.00 15.00 O ATOM 1330 CB GLU A 90 -8.217 -3.832 -2.272 1.00 15.00 C ATOM 1331 CG GLU A 90 -9.207 -4.064 -1.139 1.00 15.00 C ATOM 1332 CD GLU A 90 -9.651 -5.511 -1.040 1.00 15.00 C ATOM 1333 OE1 GLU A 90 -8.775 -6.401 -1.036 1.00 15.00 O ATOM 1334 OE2 GLU A 90 -10.874 -5.753 -0.966 1.00 15.00 O ATOM 0 H GLU A 90 -5.996 -1.950 -1.939 1.00 15.00 H new ATOM 0 HA GLU A 90 -8.484 -2.097 -3.492 1.00 15.00 H new ATOM 0 HB2 GLU A 90 -8.596 -4.315 -3.173 1.00 15.00 H new ATOM 0 HB3 GLU A 90 -7.276 -4.320 -2.021 1.00 15.00 H new ATOM 0 HG2 GLU A 90 -8.751 -3.762 -0.196 1.00 15.00 H new ATOM 0 HG3 GLU A 90 -10.080 -3.429 -1.289 1.00 15.00 H new ATOM 1341 N LYS A 91 -9.575 -0.816 -1.654 1.00 15.00 N ATOM 1342 CA LYS A 91 -10.137 0.082 -0.651 1.00 15.00 C ATOM 1343 C LYS A 91 -10.107 -0.551 0.737 1.00 15.00 C ATOM 1344 O LYS A 91 -10.972 -1.354 1.085 1.00 15.00 O ATOM 1345 CB LYS A 91 -11.568 0.462 -1.025 1.00 15.00 C ATOM 1346 CG LYS A 91 -12.041 1.747 -0.366 1.00 15.00 C ATOM 1347 CD LYS A 91 -11.755 2.959 -1.238 1.00 15.00 C ATOM 1348 CE LYS A 91 -11.280 4.142 -0.409 1.00 15.00 C ATOM 1349 NZ LYS A 91 -12.214 4.448 0.710 1.00 15.00 N ATOM 0 H LYS A 91 -10.135 -0.905 -2.502 1.00 15.00 H new ATOM 0 HA LYS A 91 -9.524 0.983 -0.625 1.00 15.00 H new ATOM 0 HB2 LYS A 91 -11.637 0.571 -2.107 1.00 15.00 H new ATOM 0 HB3 LYS A 91 -12.238 -0.350 -0.743 1.00 15.00 H new ATOM 0 HG2 LYS A 91 -13.111 1.684 -0.169 1.00 15.00 H new ATOM 0 HG3 LYS A 91 -11.546 1.866 0.598 1.00 15.00 H new ATOM 0 HD2 LYS A 91 -10.997 2.705 -1.979 1.00 15.00 H new ATOM 0 HD3 LYS A 91 -12.656 3.235 -1.786 1.00 15.00 H new ATOM 0 HE2 LYS A 91 -10.290 3.929 -0.007 1.00 15.00 H new ATOM 0 HE3 LYS A 91 -11.182 5.018 -1.050 1.00 15.00 H new ATOM 0 HZ1 LYS A 91 -12.037 5.412 1.056 1.00 15.00 H new ATOM 0 HZ2 LYS A 91 -13.195 4.376 0.373 1.00 15.00 H new ATOM 0 HZ3 LYS A 91 -12.063 3.769 1.483 1.00 15.00 H new ATOM 1363 N GLY A 92 -9.099 -0.183 1.523 1.00 15.00 N ATOM 1364 CA GLY A 92 -8.965 -0.722 2.863 1.00 15.00 C ATOM 1365 C GLY A 92 -10.138 -0.368 3.754 1.00 15.00 C ATOM 1366 O GLY A 92 -11.187 0.060 3.271 1.00 15.00 O ATOM 0 H GLY A 92 -8.372 0.480 1.254 1.00 15.00 H new ATOM 0 HA2 GLY A 92 -8.871 -1.806 2.807 1.00 15.00 H new ATOM 0 HA3 GLY A 92 -8.046 -0.345 3.312 1.00 15.00 H new