USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 665 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 21 LYS NZ :NH3+ -117:sc= -0.145 (180deg=-0.548) USER MOD Single : A 24 ASN :FLIP amide:sc= -0.0145 F(o=-0.93,f=-0.015) USER MOD Single : A 26 GLN : amide:sc= -1.19 K(o=-1.2,f=-4.4!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -138:sc= -0.083 (180deg=-1.39!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -90:sc= -0.551 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 18:sc= 0.679 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.0459 X(o=-0.046,f=-0.39) USER MOD Single : A 64 GLN : amide:sc= -1.29 X(o=-1.3,f=-1.8) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.426 X(o=-0.43,f=-0.012) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 74:sc= 0.304 USER MOD Single : A 87 GLN : amide:sc= -5.45 K(o=-5.4,f=-10!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 99:sc= 0.996 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= -1.11 USER MOD Single : A 104 SER OG : rot 180:sc= 0.0106 USER MOD ----------------------------------------------------------------- ATOM 70 N LYS A 21 -7.780 -5.485 -11.310 1.00 0.00 N ATOM 71 CA LYS A 21 -7.072 -4.564 -12.192 1.00 0.00 C ATOM 72 C LYS A 21 -6.038 -3.762 -11.410 1.00 0.00 C ATOM 73 O LYS A 21 -6.128 -3.646 -10.187 1.00 0.00 O ATOM 74 CB LYS A 21 -8.057 -3.618 -12.886 1.00 0.00 C ATOM 75 CG LYS A 21 -9.148 -3.088 -11.968 1.00 0.00 C ATOM 76 CD LYS A 21 -8.678 -1.872 -11.187 1.00 0.00 C ATOM 77 CE LYS A 21 -9.840 -1.162 -10.512 1.00 0.00 C ATOM 78 NZ LYS A 21 -10.418 -0.094 -11.374 1.00 0.00 N ATOM 0 HA LYS A 21 -6.557 -5.150 -12.953 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.505 -2.776 -13.303 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.521 -4.141 -13.722 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.026 -2.825 -12.559 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.453 -3.871 -11.274 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.951 -2.180 -10.435 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.168 -1.181 -11.859 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.615 -1.888 -10.266 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.502 -0.726 -9.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.295 0.830 -10.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.932 -0.089 -12.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.432 -0.276 -11.520 1.00 0.00 H new ATOM 92 N ARG A 22 -5.053 -3.215 -12.114 1.00 0.00 N ATOM 93 CA ARG A 22 -4.004 -2.431 -11.474 1.00 0.00 C ATOM 94 C ARG A 22 -4.184 -0.943 -11.744 1.00 0.00 C ATOM 95 O ARG A 22 -4.687 -0.546 -12.796 1.00 0.00 O ATOM 96 CB ARG A 22 -2.624 -2.879 -11.960 1.00 0.00 C ATOM 97 CG ARG A 22 -2.471 -4.388 -12.072 1.00 0.00 C ATOM 98 CD ARG A 22 -2.007 -4.801 -13.459 1.00 0.00 C ATOM 99 NE ARG A 22 -1.599 -6.203 -13.508 1.00 0.00 N ATOM 100 CZ ARG A 22 -1.463 -6.896 -14.635 1.00 0.00 C ATOM 101 NH1 ARG A 22 -1.704 -6.325 -15.808 1.00 0.00 N ATOM 102 NH2 ARG A 22 -1.085 -8.166 -14.589 1.00 0.00 N ATOM 0 H ARG A 22 -4.959 -3.300 -13.126 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.078 -2.599 -10.400 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -2.429 -2.430 -12.934 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.867 -2.496 -11.276 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.755 -4.738 -11.329 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.423 -4.869 -11.848 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -2.812 -4.633 -14.175 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.172 -4.170 -13.764 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.407 -6.678 -12.626 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.996 -5.348 -15.850 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.598 -6.863 -16.668 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.899 -8.610 -13.690 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.980 -8.699 -15.453 1.00 0.00 H new ATOM 116 N LEU A 23 -3.766 -0.121 -10.786 1.00 0.00 N ATOM 117 CA LEU A 23 -3.876 1.328 -10.920 1.00 0.00 C ATOM 118 C LEU A 23 -2.573 2.012 -10.521 1.00 0.00 C ATOM 119 O LEU A 23 -1.833 1.520 -9.669 1.00 0.00 O ATOM 120 CB LEU A 23 -5.022 1.865 -10.058 1.00 0.00 C ATOM 121 CG LEU A 23 -6.204 0.914 -9.878 1.00 0.00 C ATOM 122 CD1 LEU A 23 -6.996 1.277 -8.631 1.00 0.00 C ATOM 123 CD2 LEU A 23 -7.100 0.938 -11.106 1.00 0.00 C ATOM 0 H LEU A 23 -3.348 -0.433 -9.909 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.083 1.549 -11.967 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.627 2.118 -9.074 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.386 2.791 -10.503 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.816 -0.097 -9.756 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.834 0.589 -8.519 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.350 1.207 -7.756 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.373 2.296 -8.723 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.936 0.255 -10.960 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.479 1.948 -11.260 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.527 0.628 -11.980 1.00 0.00 H new ATOM 135 N ASN A 24 -2.306 3.157 -11.137 1.00 0.00 N ATOM 136 CA ASN A 24 -1.099 3.925 -10.847 1.00 0.00 C ATOM 137 C ASN A 24 -1.458 5.206 -10.104 1.00 0.00 C ATOM 138 O ASN A 24 -2.366 5.931 -10.512 1.00 0.00 O ATOM 139 CB ASN A 24 -0.356 4.259 -12.141 1.00 0.00 C ATOM 140 CG ASN A 24 1.073 4.699 -11.890 1.00 0.00 C ATOM 141 OD1 ASN A 24 1.827 3.877 -11.169 1.00 0.00 O flip ATOM 142 ND2 ASN A 24 1.495 5.765 -12.338 1.00 0.00 N flip ATOM 0 H ASN A 24 -2.911 3.576 -11.843 1.00 0.00 H new ATOM 0 HA ASN A 24 -0.446 3.322 -10.216 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.355 3.385 -12.792 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.889 5.049 -12.669 1.00 0.00 H new ATOM 0 HD21 ASN A 24 0.881 6.366 -12.887 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.459 6.047 -12.160 1.00 0.00 H new ATOM 149 N ILE A 25 -0.755 5.482 -9.009 1.00 0.00 N ATOM 150 CA ILE A 25 -1.032 6.675 -8.221 1.00 0.00 C ATOM 151 C ILE A 25 0.250 7.362 -7.761 1.00 0.00 C ATOM 152 O ILE A 25 1.072 6.769 -7.064 1.00 0.00 O ATOM 153 CB ILE A 25 -1.898 6.334 -6.992 1.00 0.00 C ATOM 154 CG1 ILE A 25 -3.214 5.694 -7.437 1.00 0.00 C ATOM 155 CG2 ILE A 25 -2.165 7.579 -6.157 1.00 0.00 C ATOM 156 CD1 ILE A 25 -3.288 4.209 -7.156 1.00 0.00 C ATOM 0 H ILE A 25 0.003 4.901 -8.651 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.577 7.361 -8.869 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.354 5.622 -6.372 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.041 6.193 -6.932 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.347 5.861 -8.506 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.778 7.315 -5.295 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.219 7.997 -5.815 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.690 8.318 -6.763 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.248 3.822 -7.497 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.482 3.698 -7.683 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.187 4.036 -6.085 1.00 0.00 H new ATOM 168 N GLN A 26 0.400 8.626 -8.146 1.00 0.00 N ATOM 169 CA GLN A 26 1.564 9.414 -7.765 1.00 0.00 C ATOM 170 C GLN A 26 1.161 10.476 -6.750 1.00 0.00 C ATOM 171 O GLN A 26 0.323 11.332 -7.035 1.00 0.00 O ATOM 172 CB GLN A 26 2.191 10.076 -8.995 1.00 0.00 C ATOM 173 CG GLN A 26 2.276 9.158 -10.204 1.00 0.00 C ATOM 174 CD GLN A 26 1.269 9.516 -11.280 1.00 0.00 C ATOM 175 OE1 GLN A 26 0.088 9.188 -11.177 1.00 0.00 O ATOM 176 NE2 GLN A 26 1.735 10.196 -12.322 1.00 0.00 N ATOM 0 H GLN A 26 -0.275 9.127 -8.724 1.00 0.00 H new ATOM 0 HA GLN A 26 2.302 8.750 -7.315 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.608 10.958 -9.259 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.193 10.421 -8.740 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.281 9.206 -10.622 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.112 8.128 -9.886 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.723 10.447 -12.367 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.105 10.467 -13.077 1.00 0.00 H new ATOM 185 N LEU A 27 1.742 10.406 -5.556 1.00 0.00 N ATOM 186 CA LEU A 27 1.417 11.355 -4.500 1.00 0.00 C ATOM 187 C LEU A 27 2.585 12.279 -4.190 1.00 0.00 C ATOM 188 O LEU A 27 3.714 11.831 -3.985 1.00 0.00 O ATOM 189 CB LEU A 27 0.992 10.607 -3.237 1.00 0.00 C ATOM 190 CG LEU A 27 -0.025 9.493 -3.471 1.00 0.00 C ATOM 191 CD1 LEU A 27 -0.103 8.576 -2.262 1.00 0.00 C ATOM 192 CD2 LEU A 27 -1.391 10.078 -3.792 1.00 0.00 C ATOM 0 H LEU A 27 2.437 9.705 -5.298 1.00 0.00 H new ATOM 0 HA LEU A 27 0.592 11.973 -4.853 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.878 10.180 -2.768 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.571 11.323 -2.531 1.00 0.00 H new ATOM 0 HG LEU A 27 0.303 8.901 -4.325 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.833 7.789 -2.449 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.874 8.129 -2.081 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.406 9.152 -1.388 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.104 9.270 -3.956 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.727 10.695 -2.959 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.323 10.689 -4.692 1.00 0.00 H new ATOM 204 N LYS A 28 2.295 13.572 -4.149 1.00 0.00 N ATOM 205 CA LYS A 28 3.302 14.581 -3.857 1.00 0.00 C ATOM 206 C LYS A 28 3.461 14.765 -2.352 1.00 0.00 C ATOM 207 O LYS A 28 2.517 15.151 -1.662 1.00 0.00 O ATOM 208 CB LYS A 28 2.915 15.912 -4.504 1.00 0.00 C ATOM 209 CG LYS A 28 4.019 16.953 -4.462 1.00 0.00 C ATOM 210 CD LYS A 28 5.317 16.405 -5.029 1.00 0.00 C ATOM 211 CE LYS A 28 6.388 17.481 -5.119 1.00 0.00 C ATOM 212 NZ LYS A 28 6.745 17.795 -6.529 1.00 0.00 N ATOM 0 H LYS A 28 1.362 13.949 -4.316 1.00 0.00 H new ATOM 0 HA LYS A 28 4.254 14.244 -4.268 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.635 15.734 -5.542 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.034 16.309 -4.000 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.714 17.832 -5.030 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.177 17.277 -3.433 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.673 15.588 -4.401 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.135 15.989 -6.020 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.035 18.386 -4.624 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.279 17.152 -4.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.478 18.533 -6.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.106 16.938 -6.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.901 18.134 -7.034 1.00 0.00 H new ATOM 226 N LYS A 29 4.659 14.484 -1.845 1.00 0.00 N ATOM 227 CA LYS A 29 4.935 14.618 -0.419 1.00 0.00 C ATOM 228 C LYS A 29 4.521 15.996 0.094 1.00 0.00 C ATOM 229 O LYS A 29 5.022 17.019 -0.372 1.00 0.00 O ATOM 230 CB LYS A 29 6.421 14.386 -0.142 1.00 0.00 C ATOM 231 CG LYS A 29 6.723 14.076 1.314 1.00 0.00 C ATOM 232 CD LYS A 29 6.246 12.685 1.696 1.00 0.00 C ATOM 233 CE LYS A 29 6.975 12.161 2.922 1.00 0.00 C ATOM 234 NZ LYS A 29 6.140 11.199 3.694 1.00 0.00 N ATOM 0 H LYS A 29 5.452 14.163 -2.400 1.00 0.00 H new ATOM 0 HA LYS A 29 4.350 13.864 0.108 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.774 13.562 -0.762 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.981 15.272 -0.441 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.796 14.155 1.489 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.240 14.816 1.953 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.174 12.708 1.892 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.403 12.004 0.860 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.900 11.673 2.614 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.254 12.997 3.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.244 11.388 4.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.142 11.309 3.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.450 10.228 3.489 1.00 0.00 H new ATOM 284 N GLY A 33 2.643 12.977 6.021 1.00 0.00 N ATOM 285 CA GLY A 33 2.999 11.725 5.376 1.00 0.00 C ATOM 286 C GLY A 33 2.360 11.583 4.009 1.00 0.00 C ATOM 287 O GLY A 33 2.682 12.331 3.086 1.00 0.00 O ATOM 0 HA2 GLY A 33 4.083 11.665 5.277 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.690 10.892 6.008 1.00 0.00 H new ATOM 291 N LEU A 34 1.454 10.620 3.879 1.00 0.00 N ATOM 292 CA LEU A 34 0.769 10.386 2.614 1.00 0.00 C ATOM 293 C LEU A 34 -0.709 10.059 2.830 1.00 0.00 C ATOM 294 O LEU A 34 -1.392 9.596 1.917 1.00 0.00 O ATOM 295 CB LEU A 34 1.452 9.250 1.850 1.00 0.00 C ATOM 296 CG LEU A 34 2.716 9.657 1.090 1.00 0.00 C ATOM 297 CD1 LEU A 34 3.757 8.552 1.155 1.00 0.00 C ATOM 298 CD2 LEU A 34 2.382 9.994 -0.355 1.00 0.00 C ATOM 0 H LEU A 34 1.178 9.990 4.632 1.00 0.00 H new ATOM 0 HA LEU A 34 0.827 11.303 2.027 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.708 8.459 2.555 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.739 8.827 1.142 1.00 0.00 H new ATOM 0 HG LEU A 34 3.132 10.547 1.563 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.649 8.860 0.609 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.017 8.358 2.196 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.353 7.644 0.707 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.292 10.281 -0.881 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.942 9.122 -0.840 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.672 10.820 -0.381 1.00 0.00 H new ATOM 310 N GLY A 35 -1.199 10.314 4.042 1.00 0.00 N ATOM 311 CA GLY A 35 -2.594 10.054 4.355 1.00 0.00 C ATOM 312 C GLY A 35 -3.036 8.644 4.012 1.00 0.00 C ATOM 313 O GLY A 35 -4.225 8.397 3.815 1.00 0.00 O ATOM 0 H GLY A 35 -0.653 10.697 4.814 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.759 10.230 5.418 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.219 10.764 3.814 1.00 0.00 H new ATOM 317 N PHE A 36 -2.090 7.714 3.939 1.00 0.00 N ATOM 318 CA PHE A 36 -2.420 6.332 3.617 1.00 0.00 C ATOM 319 C PHE A 36 -1.606 5.351 4.456 1.00 0.00 C ATOM 320 O PHE A 36 -0.383 5.453 4.545 1.00 0.00 O ATOM 321 CB PHE A 36 -2.213 6.067 2.119 1.00 0.00 C ATOM 322 CG PHE A 36 -0.810 5.668 1.743 1.00 0.00 C ATOM 323 CD1 PHE A 36 0.271 6.446 2.121 1.00 0.00 C ATOM 324 CD2 PHE A 36 -0.580 4.516 1.010 1.00 0.00 C ATOM 325 CE1 PHE A 36 1.558 6.081 1.775 1.00 0.00 C ATOM 326 CE2 PHE A 36 0.705 4.146 0.662 1.00 0.00 C ATOM 327 CZ PHE A 36 1.776 4.929 1.044 1.00 0.00 C ATOM 0 H PHE A 36 -1.098 7.890 4.097 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.471 6.176 3.858 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.898 5.280 1.804 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.483 6.965 1.563 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.107 7.348 2.692 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.414 3.900 0.707 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.393 6.696 2.076 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.872 3.244 0.091 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.781 4.642 0.772 1.00 0.00 H new ATOM 337 N SER A 37 -2.299 4.392 5.061 1.00 0.00 N ATOM 338 CA SER A 37 -1.651 3.378 5.882 1.00 0.00 C ATOM 339 C SER A 37 -1.646 2.042 5.147 1.00 0.00 C ATOM 340 O SER A 37 -2.652 1.646 4.560 1.00 0.00 O ATOM 341 CB SER A 37 -2.373 3.236 7.225 1.00 0.00 C ATOM 342 OG SER A 37 -1.553 2.583 8.177 1.00 0.00 O ATOM 0 H SER A 37 -3.313 4.297 4.997 1.00 0.00 H new ATOM 0 HA SER A 37 -0.623 3.685 6.072 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.653 4.221 7.597 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.296 2.673 7.088 1.00 0.00 H new ATOM 0 HG SER A 37 -2.036 2.506 9.026 1.00 0.00 H new ATOM 348 N ILE A 38 -0.508 1.358 5.165 1.00 0.00 N ATOM 349 CA ILE A 38 -0.389 0.078 4.479 1.00 0.00 C ATOM 350 C ILE A 38 -0.297 -1.089 5.448 1.00 0.00 C ATOM 351 O ILE A 38 0.374 -1.017 6.478 1.00 0.00 O ATOM 352 CB ILE A 38 0.840 0.040 3.560 1.00 0.00 C ATOM 353 CG1 ILE A 38 2.092 0.433 4.343 1.00 0.00 C ATOM 354 CG2 ILE A 38 0.636 0.957 2.367 1.00 0.00 C ATOM 355 CD1 ILE A 38 3.382 0.154 3.601 1.00 0.00 C ATOM 0 H ILE A 38 0.339 1.665 5.643 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.297 -0.022 3.885 1.00 0.00 H new ATOM 0 HB ILE A 38 0.973 -0.976 3.187 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.042 1.495 4.582 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.103 -0.107 5.290 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.516 0.919 1.725 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.239 0.632 1.804 1.00 0.00 H new ATOM 0 HG23 ILE A 38 0.484 1.979 2.715 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.229 0.458 4.216 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.454 -0.912 3.385 1.00 0.00 H new ATOM 0 HD13 ILE A 38 3.393 0.715 2.667 1.00 0.00 H new ATOM 367 N THR A 39 -0.965 -2.171 5.085 1.00 0.00 N ATOM 368 CA THR A 39 -0.965 -3.390 5.883 1.00 0.00 C ATOM 369 C THR A 39 -0.258 -4.511 5.128 1.00 0.00 C ATOM 370 O THR A 39 0.069 -4.364 3.951 1.00 0.00 O ATOM 371 CB THR A 39 -2.394 -3.815 6.227 1.00 0.00 C ATOM 372 OG1 THR A 39 -2.420 -5.157 6.683 1.00 0.00 O ATOM 373 CG2 THR A 39 -3.350 -3.711 5.058 1.00 0.00 C ATOM 0 H THR A 39 -1.521 -2.231 4.232 1.00 0.00 H new ATOM 0 HA THR A 39 -0.431 -3.190 6.812 1.00 0.00 H new ATOM 0 HB THR A 39 -2.721 -3.124 7.004 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.550 -5.759 5.921 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.345 -4.028 5.372 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.390 -2.678 4.712 1.00 0.00 H new ATOM 0 HG23 THR A 39 -3.004 -4.352 4.247 1.00 0.00 H new ATOM 381 N SER A 40 -0.023 -5.627 5.806 1.00 0.00 N ATOM 382 CA SER A 40 0.648 -6.766 5.187 1.00 0.00 C ATOM 383 C SER A 40 -0.170 -8.042 5.354 1.00 0.00 C ATOM 384 O SER A 40 -0.653 -8.344 6.445 1.00 0.00 O ATOM 385 CB SER A 40 2.042 -6.953 5.788 1.00 0.00 C ATOM 386 OG SER A 40 2.537 -8.257 5.538 1.00 0.00 O ATOM 0 H SER A 40 -0.285 -5.769 6.781 1.00 0.00 H new ATOM 0 HA SER A 40 0.745 -6.560 4.121 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.725 -6.215 5.367 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.004 -6.775 6.863 1.00 0.00 H new ATOM 0 HG SER A 40 3.430 -8.349 5.931 1.00 0.00 H new ATOM 392 N ARG A 41 -0.319 -8.790 4.264 1.00 0.00 N ATOM 393 CA ARG A 41 -1.077 -10.035 4.291 1.00 0.00 C ATOM 394 C ARG A 41 -0.483 -11.017 5.296 1.00 0.00 C ATOM 395 O ARG A 41 -1.179 -11.894 5.808 1.00 0.00 O ATOM 396 CB ARG A 41 -1.110 -10.669 2.897 1.00 0.00 C ATOM 397 CG ARG A 41 -2.313 -11.569 2.668 1.00 0.00 C ATOM 398 CD ARG A 41 -2.349 -12.101 1.245 1.00 0.00 C ATOM 399 NE ARG A 41 -2.828 -13.480 1.188 1.00 0.00 N ATOM 400 CZ ARG A 41 -3.301 -14.057 0.086 1.00 0.00 C ATOM 401 NH1 ARG A 41 -3.361 -13.378 -1.055 1.00 0.00 N ATOM 402 NH2 ARG A 41 -3.715 -15.316 0.122 1.00 0.00 N ATOM 0 H ARG A 41 0.075 -8.555 3.353 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.096 -9.801 4.601 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.110 -9.878 2.147 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.199 -11.249 2.749 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -2.283 -12.403 3.369 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -3.228 -11.014 2.873 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.995 -11.467 0.637 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.350 -12.046 0.812 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.798 -14.034 2.044 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.044 -12.409 -1.089 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.724 -13.826 -1.896 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.671 -15.843 0.994 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.078 -15.758 -0.723 1.00 0.00 H new ATOM 491 N SER A 48 8.081 -13.406 0.913 1.00 0.00 N ATOM 492 CA SER A 48 7.294 -12.629 -0.038 1.00 0.00 C ATOM 493 C SER A 48 5.858 -12.465 0.447 1.00 0.00 C ATOM 494 O SER A 48 5.056 -13.397 0.375 1.00 0.00 O ATOM 495 CB SER A 48 7.306 -13.302 -1.412 1.00 0.00 C ATOM 496 OG SER A 48 8.423 -14.163 -1.550 1.00 0.00 O ATOM 0 HA SER A 48 7.745 -11.640 -0.120 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.386 -13.870 -1.550 1.00 0.00 H new ATOM 0 HB3 SER A 48 7.331 -12.541 -2.192 1.00 0.00 H new ATOM 0 HG SER A 48 8.786 -14.373 -0.664 1.00 0.00 H new ATOM 502 N ALA A 49 5.538 -11.272 0.936 1.00 0.00 N ATOM 503 CA ALA A 49 4.200 -10.979 1.429 1.00 0.00 C ATOM 504 C ALA A 49 3.618 -9.756 0.724 1.00 0.00 C ATOM 505 O ALA A 49 4.229 -8.686 0.721 1.00 0.00 O ATOM 506 CB ALA A 49 4.224 -10.762 2.935 1.00 0.00 C ATOM 0 H ALA A 49 6.190 -10.491 1.001 1.00 0.00 H new ATOM 0 HA ALA A 49 3.561 -11.835 1.211 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.216 -10.544 3.287 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.593 -11.662 3.426 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.880 -9.924 3.171 1.00 0.00 H new ATOM 512 N PRO A 50 2.429 -9.892 0.112 1.00 0.00 N ATOM 513 CA PRO A 50 1.779 -8.785 -0.598 1.00 0.00 C ATOM 514 C PRO A 50 1.274 -7.699 0.346 1.00 0.00 C ATOM 515 O PRO A 50 0.560 -7.980 1.310 1.00 0.00 O ATOM 516 CB PRO A 50 0.604 -9.460 -1.311 1.00 0.00 C ATOM 517 CG PRO A 50 0.306 -10.665 -0.489 1.00 0.00 C ATOM 518 CD PRO A 50 1.627 -11.129 0.058 1.00 0.00 C ATOM 0 HA PRO A 50 2.470 -8.276 -1.270 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.259 -8.796 -1.368 1.00 0.00 H new ATOM 0 HB3 PRO A 50 0.865 -9.733 -2.334 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.388 -10.426 0.317 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -0.162 -11.443 -1.092 1.00 0.00 H new ATOM 0 HD2 PRO A 50 1.517 -11.580 1.044 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.087 -11.878 -0.586 1.00 0.00 H new ATOM 526 N ILE A 51 1.648 -6.456 0.058 1.00 0.00 N ATOM 527 CA ILE A 51 1.232 -5.322 0.873 1.00 0.00 C ATOM 528 C ILE A 51 -0.073 -4.729 0.351 1.00 0.00 C ATOM 529 O ILE A 51 -0.368 -4.806 -0.842 1.00 0.00 O ATOM 530 CB ILE A 51 2.312 -4.224 0.895 1.00 0.00 C ATOM 531 CG1 ILE A 51 3.658 -4.815 1.325 1.00 0.00 C ATOM 532 CG2 ILE A 51 1.897 -3.083 1.814 1.00 0.00 C ATOM 533 CD1 ILE A 51 3.805 -4.991 2.822 1.00 0.00 C ATOM 0 H ILE A 51 2.240 -6.209 -0.735 1.00 0.00 H new ATOM 0 HA ILE A 51 1.082 -5.692 1.887 1.00 0.00 H new ATOM 0 HB ILE A 51 2.422 -3.820 -0.111 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.789 -5.783 0.841 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.458 -4.168 0.965 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.673 -2.317 1.816 1.00 0.00 H new ATOM 0 HG22 ILE A 51 0.962 -2.651 1.458 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.759 -3.463 2.826 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.785 -5.414 3.044 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.708 -4.023 3.313 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.028 -5.663 3.187 1.00 0.00 H new ATOM 545 N TYR A 52 -0.853 -4.141 1.252 1.00 0.00 N ATOM 546 CA TYR A 52 -2.126 -3.537 0.881 1.00 0.00 C ATOM 547 C TYR A 52 -2.347 -2.232 1.637 1.00 0.00 C ATOM 548 O TYR A 52 -1.559 -1.869 2.508 1.00 0.00 O ATOM 549 CB TYR A 52 -3.279 -4.503 1.167 1.00 0.00 C ATOM 550 CG TYR A 52 -3.162 -5.824 0.437 1.00 0.00 C ATOM 551 CD1 TYR A 52 -2.228 -6.774 0.829 1.00 0.00 C ATOM 552 CD2 TYR A 52 -3.987 -6.119 -0.639 1.00 0.00 C ATOM 553 CE1 TYR A 52 -2.119 -7.983 0.166 1.00 0.00 C ATOM 554 CE2 TYR A 52 -3.887 -7.325 -1.305 1.00 0.00 C ATOM 555 CZ TYR A 52 -2.951 -8.253 -0.899 1.00 0.00 C ATOM 556 OH TYR A 52 -2.847 -9.455 -1.562 1.00 0.00 O ATOM 0 H TYR A 52 -0.625 -4.070 2.244 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.098 -3.321 -0.187 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.324 -4.693 2.239 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.219 -4.026 0.888 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -1.576 -6.566 1.665 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -4.719 -5.394 -0.961 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.386 -8.711 0.481 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -4.538 -7.540 -2.139 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.506 -9.487 -2.287 1.00 0.00 H new ATOM 566 N VAL A 53 -3.425 -1.531 1.300 1.00 0.00 N ATOM 567 CA VAL A 53 -3.748 -0.271 1.955 1.00 0.00 C ATOM 568 C VAL A 53 -4.638 -0.506 3.170 1.00 0.00 C ATOM 569 O VAL A 53 -5.851 -0.669 3.042 1.00 0.00 O ATOM 570 CB VAL A 53 -4.455 0.705 0.994 1.00 0.00 C ATOM 571 CG1 VAL A 53 -4.526 2.095 1.605 1.00 0.00 C ATOM 572 CG2 VAL A 53 -3.745 0.742 -0.351 1.00 0.00 C ATOM 0 H VAL A 53 -4.088 -1.815 0.578 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.804 0.173 2.272 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.473 0.351 0.830 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.028 2.771 0.913 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.084 2.053 2.541 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.517 2.459 1.800 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.259 1.437 -1.015 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.715 1.070 -0.210 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.751 -0.254 -0.793 1.00 0.00 H new ATOM 582 N LYS A 54 -4.023 -0.526 4.348 1.00 0.00 N ATOM 583 CA LYS A 54 -4.752 -0.746 5.591 1.00 0.00 C ATOM 584 C LYS A 54 -5.852 0.292 5.771 1.00 0.00 C ATOM 585 O LYS A 54 -6.902 0.004 6.345 1.00 0.00 O ATOM 586 CB LYS A 54 -3.793 -0.697 6.781 1.00 0.00 C ATOM 587 CG LYS A 54 -4.399 -1.232 8.070 1.00 0.00 C ATOM 588 CD LYS A 54 -3.350 -1.376 9.160 1.00 0.00 C ATOM 589 CE LYS A 54 -3.893 -2.138 10.358 1.00 0.00 C ATOM 590 NZ LYS A 54 -4.622 -1.246 11.301 1.00 0.00 N ATOM 0 H LYS A 54 -3.019 -0.392 4.468 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.214 -1.732 5.541 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.900 -1.274 6.542 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.474 0.333 6.939 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.188 -0.560 8.409 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.864 -2.200 7.881 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.479 -1.895 8.761 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.015 -0.388 9.477 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.562 -2.926 10.014 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.070 -2.625 10.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.976 -1.805 12.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.977 -0.509 11.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.423 -0.801 10.809 1.00 0.00 H new ATOM 604 N ASN A 55 -5.604 1.502 5.279 1.00 0.00 N ATOM 605 CA ASN A 55 -6.583 2.580 5.395 1.00 0.00 C ATOM 606 C ASN A 55 -6.083 3.868 4.746 1.00 0.00 C ATOM 607 O ASN A 55 -4.879 4.081 4.605 1.00 0.00 O ATOM 608 CB ASN A 55 -6.913 2.839 6.865 1.00 0.00 C ATOM 609 CG ASN A 55 -8.366 3.217 7.074 1.00 0.00 C ATOM 610 OD1 ASN A 55 -9.269 2.581 6.530 1.00 0.00 O ATOM 611 ND2 ASN A 55 -8.600 4.256 7.868 1.00 0.00 N ATOM 0 H ASN A 55 -4.741 1.760 4.800 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.483 2.263 4.869 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -6.685 1.947 7.448 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -6.275 3.638 7.242 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -9.559 4.555 8.047 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.821 4.755 8.298 1.00 0.00 H new ATOM 618 N ILE A 56 -7.024 4.728 4.365 1.00 0.00 N ATOM 619 CA ILE A 56 -6.699 6.006 3.744 1.00 0.00 C ATOM 620 C ILE A 56 -7.067 7.160 4.673 1.00 0.00 C ATOM 621 O ILE A 56 -8.212 7.613 4.692 1.00 0.00 O ATOM 622 CB ILE A 56 -7.429 6.183 2.396 1.00 0.00 C ATOM 623 CG1 ILE A 56 -7.094 5.023 1.455 1.00 0.00 C ATOM 624 CG2 ILE A 56 -7.059 7.514 1.756 1.00 0.00 C ATOM 625 CD1 ILE A 56 -5.646 5.001 1.015 1.00 0.00 C ATOM 0 H ILE A 56 -8.024 4.560 4.477 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.625 6.013 3.559 1.00 0.00 H new ATOM 0 HB ILE A 56 -8.503 6.181 2.582 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.328 4.082 1.953 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.732 5.085 0.574 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -7.584 7.620 0.807 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.344 8.329 2.421 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.984 7.547 1.582 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.481 4.153 0.350 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.412 5.926 0.488 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.001 4.908 1.889 1.00 0.00 H new ATOM 637 N LEU A 57 -6.092 7.620 5.448 1.00 0.00 N ATOM 638 CA LEU A 57 -6.309 8.712 6.394 1.00 0.00 C ATOM 639 C LEU A 57 -6.915 9.934 5.705 1.00 0.00 C ATOM 640 O LEU A 57 -6.747 10.127 4.501 1.00 0.00 O ATOM 641 CB LEU A 57 -4.993 9.084 7.076 1.00 0.00 C ATOM 642 CG LEU A 57 -4.197 7.898 7.620 1.00 0.00 C ATOM 643 CD1 LEU A 57 -2.977 8.378 8.390 1.00 0.00 C ATOM 644 CD2 LEU A 57 -5.075 7.022 8.502 1.00 0.00 C ATOM 0 H LEU A 57 -5.140 7.254 5.441 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.018 8.370 7.148 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.371 9.625 6.363 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.206 9.768 7.897 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.855 7.301 6.775 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.424 7.518 8.769 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.335 8.959 7.728 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.296 9.001 9.226 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.490 6.183 8.879 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.450 7.609 9.340 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.915 6.645 7.919 1.00 0.00 H new ATOM 656 N PRO A 58 -7.642 10.774 6.467 1.00 0.00 N ATOM 657 CA PRO A 58 -8.288 11.975 5.935 1.00 0.00 C ATOM 658 C PRO A 58 -7.359 13.185 5.865 1.00 0.00 C ATOM 659 O PRO A 58 -7.820 14.324 5.783 1.00 0.00 O ATOM 660 CB PRO A 58 -9.405 12.222 6.945 1.00 0.00 C ATOM 661 CG PRO A 58 -8.848 11.740 8.241 1.00 0.00 C ATOM 662 CD PRO A 58 -7.904 10.608 7.911 1.00 0.00 C ATOM 0 HA PRO A 58 -8.622 11.835 4.907 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.669 13.278 6.995 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.311 11.679 6.676 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -8.324 12.543 8.760 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.645 11.400 8.902 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -6.985 10.671 8.494 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.352 9.638 8.127 1.00 0.00 H new ATOM 670 N ARG A 59 -6.053 12.942 5.896 1.00 0.00 N ATOM 671 CA ARG A 59 -5.079 14.024 5.833 1.00 0.00 C ATOM 672 C ARG A 59 -3.802 13.573 5.131 1.00 0.00 C ATOM 673 O ARG A 59 -2.849 13.136 5.775 1.00 0.00 O ATOM 674 CB ARG A 59 -4.751 14.525 7.241 1.00 0.00 C ATOM 675 CG ARG A 59 -5.772 15.507 7.789 1.00 0.00 C ATOM 676 CD ARG A 59 -5.122 16.548 8.689 1.00 0.00 C ATOM 677 NE ARG A 59 -5.533 17.906 8.343 1.00 0.00 N ATOM 678 CZ ARG A 59 -5.019 18.602 7.331 1.00 0.00 C ATOM 679 NH1 ARG A 59 -4.073 18.072 6.566 1.00 0.00 N ATOM 680 NH2 ARG A 59 -5.450 19.832 7.085 1.00 0.00 N ATOM 0 H ARG A 59 -5.646 12.009 5.964 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.518 14.838 5.256 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.682 13.671 7.915 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -3.771 15.001 7.229 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -6.278 16.005 6.962 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -6.534 14.965 8.350 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.384 16.344 9.727 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.038 16.467 8.612 1.00 0.00 H new ATOM 0 HE ARG A 59 -6.257 18.347 8.910 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -3.736 17.127 6.752 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.683 18.609 5.792 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -6.175 20.245 7.671 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.056 20.365 6.310 1.00 0.00 H new ATOM 694 N GLY A 60 -3.791 13.685 3.806 1.00 0.00 N ATOM 695 CA GLY A 60 -2.625 13.288 3.040 1.00 0.00 C ATOM 696 C GLY A 60 -2.790 13.529 1.555 1.00 0.00 C ATOM 697 O GLY A 60 -3.811 14.055 1.111 1.00 0.00 O ATOM 0 H GLY A 60 -4.568 14.043 3.251 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.755 13.839 3.399 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.426 12.230 3.212 1.00 0.00 H new ATOM 701 N ALA A 61 -1.774 13.153 0.787 1.00 0.00 N ATOM 702 CA ALA A 61 -1.794 13.335 -0.659 1.00 0.00 C ATOM 703 C ALA A 61 -2.682 12.307 -1.355 1.00 0.00 C ATOM 704 O ALA A 61 -3.166 12.546 -2.461 1.00 0.00 O ATOM 705 CB ALA A 61 -0.381 13.277 -1.216 1.00 0.00 C ATOM 0 H ALA A 61 -0.923 12.719 1.144 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.219 14.319 -0.858 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.410 13.414 -2.297 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.220 14.067 -0.766 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.062 12.308 -0.985 1.00 0.00 H new ATOM 711 N ALA A 62 -2.884 11.161 -0.718 1.00 0.00 N ATOM 712 CA ALA A 62 -3.706 10.109 -1.306 1.00 0.00 C ATOM 713 C ALA A 62 -5.172 10.518 -1.369 1.00 0.00 C ATOM 714 O ALA A 62 -5.784 10.497 -2.437 1.00 0.00 O ATOM 715 CB ALA A 62 -3.549 8.810 -0.529 1.00 0.00 C ATOM 0 H ALA A 62 -2.494 10.936 0.198 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.360 9.950 -2.327 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.170 8.037 -0.983 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.505 8.497 -0.551 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.859 8.964 0.504 1.00 0.00 H new ATOM 721 N ILE A 63 -5.737 10.887 -0.225 1.00 0.00 N ATOM 722 CA ILE A 63 -7.128 11.295 -0.169 1.00 0.00 C ATOM 723 C ILE A 63 -7.375 12.560 -0.986 1.00 0.00 C ATOM 724 O ILE A 63 -8.428 12.711 -1.606 1.00 0.00 O ATOM 725 CB ILE A 63 -7.591 11.496 1.286 1.00 0.00 C ATOM 726 CG1 ILE A 63 -9.034 11.023 1.424 1.00 0.00 C ATOM 727 CG2 ILE A 63 -7.446 12.948 1.730 1.00 0.00 C ATOM 728 CD1 ILE A 63 -9.481 10.874 2.855 1.00 0.00 C ATOM 0 H ILE A 63 -5.251 10.911 0.672 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.717 10.490 -0.609 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.952 10.903 1.940 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.690 11.731 0.918 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.145 10.066 0.915 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.783 13.048 2.762 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.400 13.247 1.659 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.051 13.587 1.087 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -10.517 10.535 2.879 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.848 10.144 3.360 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -9.402 11.835 3.363 1.00 0.00 H new ATOM 740 N GLN A 64 -6.399 13.465 -0.992 1.00 0.00 N ATOM 741 CA GLN A 64 -6.530 14.704 -1.747 1.00 0.00 C ATOM 742 C GLN A 64 -6.442 14.425 -3.243 1.00 0.00 C ATOM 743 O GLN A 64 -7.145 15.043 -4.044 1.00 0.00 O ATOM 744 CB GLN A 64 -5.458 15.716 -1.316 1.00 0.00 C ATOM 745 CG GLN A 64 -4.133 15.570 -2.047 1.00 0.00 C ATOM 746 CD GLN A 64 -3.078 16.534 -1.540 1.00 0.00 C ATOM 747 OE1 GLN A 64 -2.977 16.785 -0.339 1.00 0.00 O ATOM 748 NE2 GLN A 64 -2.286 17.079 -2.455 1.00 0.00 N ATOM 0 H GLN A 64 -5.518 13.364 -0.488 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.508 15.137 -1.536 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.840 16.724 -1.478 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.283 15.609 -0.245 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.771 14.548 -1.934 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.290 15.737 -3.113 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -2.406 16.842 -3.440 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -1.557 17.735 -2.173 1.00 0.00 H new ATOM 757 N ASP A 65 -5.576 13.486 -3.614 1.00 0.00 N ATOM 758 CA ASP A 65 -5.401 13.118 -5.012 1.00 0.00 C ATOM 759 C ASP A 65 -6.612 12.344 -5.523 1.00 0.00 C ATOM 760 O ASP A 65 -6.986 12.458 -6.691 1.00 0.00 O ATOM 761 CB ASP A 65 -4.134 12.278 -5.188 1.00 0.00 C ATOM 762 CG ASP A 65 -2.891 13.133 -5.335 1.00 0.00 C ATOM 763 OD1 ASP A 65 -2.991 14.232 -5.920 1.00 0.00 O ATOM 764 OD2 ASP A 65 -1.817 12.703 -4.865 1.00 0.00 O ATOM 0 H ASP A 65 -4.985 12.967 -2.964 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.303 14.035 -5.594 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -4.017 11.617 -4.330 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.241 11.643 -6.067 1.00 0.00 H new ATOM 769 N GLY A 66 -7.216 11.556 -4.640 1.00 0.00 N ATOM 770 CA GLY A 66 -8.374 10.768 -5.021 1.00 0.00 C ATOM 771 C GLY A 66 -8.040 9.734 -6.074 1.00 0.00 C ATOM 772 O GLY A 66 -8.807 9.522 -7.013 1.00 0.00 O ATOM 0 H GLY A 66 -6.925 11.449 -3.668 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -8.778 10.269 -4.140 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -9.154 11.430 -5.398 1.00 0.00 H new ATOM 776 N ARG A 67 -6.887 9.090 -5.920 1.00 0.00 N ATOM 777 CA ARG A 67 -6.444 8.076 -6.868 1.00 0.00 C ATOM 778 C ARG A 67 -6.338 6.708 -6.204 1.00 0.00 C ATOM 779 O ARG A 67 -6.984 5.750 -6.628 1.00 0.00 O ATOM 780 CB ARG A 67 -5.097 8.471 -7.473 1.00 0.00 C ATOM 781 CG ARG A 67 -5.141 9.769 -8.263 1.00 0.00 C ATOM 782 CD ARG A 67 -3.962 9.882 -9.215 1.00 0.00 C ATOM 783 NE ARG A 67 -3.962 11.154 -9.935 1.00 0.00 N ATOM 784 CZ ARG A 67 -2.927 11.605 -10.642 1.00 0.00 C ATOM 785 NH1 ARG A 67 -1.812 10.892 -10.729 1.00 0.00 N ATOM 786 NH2 ARG A 67 -3.010 12.773 -11.265 1.00 0.00 N ATOM 0 H ARG A 67 -6.243 9.253 -5.146 1.00 0.00 H new ATOM 0 HA ARG A 67 -7.188 8.011 -7.662 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.363 8.567 -6.673 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.753 7.669 -8.126 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.072 9.821 -8.827 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.137 10.615 -7.576 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -3.032 9.782 -8.655 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.993 9.060 -9.930 1.00 0.00 H new ATOM 0 HE ARG A 67 -4.803 11.730 -9.894 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -1.743 9.993 -10.253 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -1.023 11.243 -11.272 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -3.866 13.325 -11.202 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -2.218 13.119 -11.807 1.00 0.00 H new ATOM 800 N LEU A 68 -5.519 6.622 -5.163 1.00 0.00 N ATOM 801 CA LEU A 68 -5.327 5.369 -4.444 1.00 0.00 C ATOM 802 C LEU A 68 -6.200 5.325 -3.190 1.00 0.00 C ATOM 803 O LEU A 68 -6.075 6.169 -2.303 1.00 0.00 O ATOM 804 CB LEU A 68 -3.841 5.183 -4.093 1.00 0.00 C ATOM 805 CG LEU A 68 -3.529 4.843 -2.635 1.00 0.00 C ATOM 806 CD1 LEU A 68 -4.080 3.470 -2.277 1.00 0.00 C ATOM 807 CD2 LEU A 68 -2.031 4.898 -2.385 1.00 0.00 C ATOM 0 H LEU A 68 -4.977 7.405 -4.798 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.633 4.545 -5.088 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.437 4.391 -4.724 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.310 6.099 -4.352 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.012 5.584 -1.998 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.848 3.245 -1.236 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.161 3.464 -2.418 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.626 2.717 -2.921 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.827 4.653 -1.343 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.528 4.179 -3.032 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.663 5.901 -2.601 1.00 0.00 H new ATOM 819 N LYS A 69 -7.084 4.334 -3.130 1.00 0.00 N ATOM 820 CA LYS A 69 -7.977 4.176 -1.991 1.00 0.00 C ATOM 821 C LYS A 69 -7.564 2.985 -1.133 1.00 0.00 C ATOM 822 O LYS A 69 -6.503 2.395 -1.337 1.00 0.00 O ATOM 823 CB LYS A 69 -9.417 3.993 -2.475 1.00 0.00 C ATOM 824 CG LYS A 69 -10.214 5.283 -2.512 1.00 0.00 C ATOM 825 CD LYS A 69 -10.111 6.045 -1.201 1.00 0.00 C ATOM 826 CE LYS A 69 -11.420 6.733 -0.849 1.00 0.00 C ATOM 827 NZ LYS A 69 -11.199 8.104 -0.310 1.00 0.00 N ATOM 0 H LYS A 69 -7.200 3.629 -3.858 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.912 5.077 -1.381 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.403 3.556 -3.473 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.923 3.282 -1.822 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.853 5.910 -3.327 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -11.260 5.059 -2.721 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.834 5.358 -0.401 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.317 6.788 -1.273 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -12.051 6.789 -1.736 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.958 6.136 -0.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.116 8.539 -0.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.618 8.049 0.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.709 8.682 -1.022 1.00 0.00 H new ATOM 841 N ALA A 70 -8.413 2.639 -0.172 1.00 0.00 N ATOM 842 CA ALA A 70 -8.142 1.518 0.720 1.00 0.00 C ATOM 843 C ALA A 70 -8.507 0.192 0.064 1.00 0.00 C ATOM 844 O ALA A 70 -9.175 0.162 -0.971 1.00 0.00 O ATOM 845 CB ALA A 70 -8.901 1.688 2.027 1.00 0.00 C ATOM 0 H ALA A 70 -9.295 3.119 0.009 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.073 1.506 0.932 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.689 0.844 2.683 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.588 2.612 2.512 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.971 1.730 1.824 1.00 0.00 H new ATOM 851 N GLY A 71 -8.062 -0.904 0.669 1.00 0.00 N ATOM 852 CA GLY A 71 -8.351 -2.219 0.130 1.00 0.00 C ATOM 853 C GLY A 71 -7.581 -2.511 -1.145 1.00 0.00 C ATOM 854 O GLY A 71 -7.946 -3.409 -1.905 1.00 0.00 O ATOM 0 H GLY A 71 -7.506 -0.905 1.524 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.109 -2.975 0.877 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.420 -2.299 -0.069 1.00 0.00 H new ATOM 858 N ASP A 72 -6.515 -1.752 -1.382 1.00 0.00 N ATOM 859 CA ASP A 72 -5.695 -1.939 -2.574 1.00 0.00 C ATOM 860 C ASP A 72 -4.417 -2.702 -2.243 1.00 0.00 C ATOM 861 O ASP A 72 -4.068 -2.865 -1.074 1.00 0.00 O ATOM 862 CB ASP A 72 -5.350 -0.586 -3.199 1.00 0.00 C ATOM 863 CG ASP A 72 -6.583 0.231 -3.533 1.00 0.00 C ATOM 864 OD1 ASP A 72 -7.663 -0.076 -2.987 1.00 0.00 O ATOM 865 OD2 ASP A 72 -6.467 1.177 -4.340 1.00 0.00 O ATOM 0 H ASP A 72 -6.199 -1.003 -0.766 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.270 -2.526 -3.291 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.720 -0.022 -2.511 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.768 -0.746 -4.106 1.00 0.00 H new ATOM 870 N ARG A 73 -3.723 -3.167 -3.278 1.00 0.00 N ATOM 871 CA ARG A 73 -2.483 -3.912 -3.094 1.00 0.00 C ATOM 872 C ARG A 73 -1.317 -3.203 -3.776 1.00 0.00 C ATOM 873 O ARG A 73 -1.322 -3.006 -4.991 1.00 0.00 O ATOM 874 CB ARG A 73 -2.628 -5.331 -3.646 1.00 0.00 C ATOM 875 CG ARG A 73 -1.445 -6.231 -3.331 1.00 0.00 C ATOM 876 CD ARG A 73 -1.440 -7.471 -4.210 1.00 0.00 C ATOM 877 NE ARG A 73 -0.763 -7.238 -5.483 1.00 0.00 N ATOM 878 CZ ARG A 73 -0.925 -8.004 -6.561 1.00 0.00 C ATOM 879 NH1 ARG A 73 -1.740 -9.052 -6.522 1.00 0.00 N ATOM 880 NH2 ARG A 73 -0.272 -7.722 -7.678 1.00 0.00 N ATOM 0 H ARG A 73 -3.999 -3.041 -4.252 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.276 -3.967 -2.025 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.534 -5.780 -3.238 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.757 -5.280 -4.727 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.517 -5.678 -3.475 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -1.480 -6.527 -2.283 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -0.948 -8.287 -3.682 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.466 -7.786 -4.398 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.129 -6.442 -5.551 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -2.245 -9.273 -5.664 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.861 -9.635 -7.350 1.00 0.00 H new ATOM 0 HH21 ARG A 73 0.355 -6.918 -7.713 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -0.396 -8.309 -8.503 1.00 0.00 H new ATOM 894 N LEU A 74 -0.322 -2.819 -2.984 1.00 0.00 N ATOM 895 CA LEU A 74 0.852 -2.128 -3.502 1.00 0.00 C ATOM 896 C LEU A 74 1.739 -3.064 -4.315 1.00 0.00 C ATOM 897 O LEU A 74 2.419 -3.929 -3.763 1.00 0.00 O ATOM 898 CB LEU A 74 1.659 -1.526 -2.349 1.00 0.00 C ATOM 899 CG LEU A 74 1.160 -0.172 -1.849 1.00 0.00 C ATOM 900 CD1 LEU A 74 0.187 -0.352 -0.696 1.00 0.00 C ATOM 901 CD2 LEU A 74 2.330 0.707 -1.433 1.00 0.00 C ATOM 0 H LEU A 74 -0.306 -2.976 -1.976 1.00 0.00 H new ATOM 0 HA LEU A 74 0.504 -1.332 -4.161 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.653 -2.229 -1.516 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.696 -1.419 -2.668 1.00 0.00 H new ATOM 0 HG LEU A 74 0.633 0.323 -2.665 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.157 0.624 -0.354 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.667 -0.941 -1.029 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.686 -0.868 0.124 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.956 1.668 -1.079 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.886 0.218 -0.633 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.987 0.866 -2.288 1.00 0.00 H new ATOM 913 N ILE A 75 1.735 -2.875 -5.631 1.00 0.00 N ATOM 914 CA ILE A 75 2.549 -3.690 -6.522 1.00 0.00 C ATOM 915 C ILE A 75 3.996 -3.204 -6.529 1.00 0.00 C ATOM 916 O ILE A 75 4.924 -3.989 -6.728 1.00 0.00 O ATOM 917 CB ILE A 75 1.999 -3.669 -7.960 1.00 0.00 C ATOM 918 CG1 ILE A 75 0.552 -4.172 -7.965 1.00 0.00 C ATOM 919 CG2 ILE A 75 2.879 -4.513 -8.877 1.00 0.00 C ATOM 920 CD1 ILE A 75 0.083 -4.683 -9.310 1.00 0.00 C ATOM 0 H ILE A 75 1.176 -2.164 -6.103 1.00 0.00 H new ATOM 0 HA ILE A 75 2.513 -4.713 -6.147 1.00 0.00 H new ATOM 0 HB ILE A 75 2.011 -2.646 -8.337 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.453 -4.971 -7.230 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.104 -3.362 -7.646 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.478 -4.489 -9.890 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.893 -4.112 -8.879 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.896 -5.542 -8.518 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.950 -5.021 -9.231 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.147 -3.882 -10.046 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.714 -5.515 -9.623 1.00 0.00 H new ATOM 932 N GLU A 76 4.178 -1.905 -6.307 1.00 0.00 N ATOM 933 CA GLU A 76 5.513 -1.313 -6.284 1.00 0.00 C ATOM 934 C GLU A 76 5.459 0.148 -5.848 1.00 0.00 C ATOM 935 O GLU A 76 4.425 0.805 -5.961 1.00 0.00 O ATOM 936 CB GLU A 76 6.169 -1.417 -7.662 1.00 0.00 C ATOM 937 CG GLU A 76 5.310 -0.872 -8.787 1.00 0.00 C ATOM 938 CD GLU A 76 6.130 -0.239 -9.895 1.00 0.00 C ATOM 939 OE1 GLU A 76 7.140 -0.846 -10.307 1.00 0.00 O ATOM 940 OE2 GLU A 76 5.761 0.864 -10.350 1.00 0.00 O ATOM 0 H GLU A 76 3.420 -1.243 -6.141 1.00 0.00 H new ATOM 0 HA GLU A 76 6.110 -1.868 -5.561 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.116 -0.878 -7.646 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.401 -2.462 -7.867 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.707 -1.680 -9.203 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.618 -0.132 -8.385 1.00 0.00 H new ATOM 947 N VAL A 77 6.587 0.649 -5.355 1.00 0.00 N ATOM 948 CA VAL A 77 6.685 2.032 -4.905 1.00 0.00 C ATOM 949 C VAL A 77 7.855 2.733 -5.585 1.00 0.00 C ATOM 950 O VAL A 77 8.967 2.205 -5.629 1.00 0.00 O ATOM 951 CB VAL A 77 6.858 2.114 -3.372 1.00 0.00 C ATOM 952 CG1 VAL A 77 7.019 3.559 -2.921 1.00 0.00 C ATOM 953 CG2 VAL A 77 5.681 1.458 -2.666 1.00 0.00 C ATOM 0 H VAL A 77 7.450 0.114 -5.257 1.00 0.00 H new ATOM 0 HA VAL A 77 5.755 2.531 -5.177 1.00 0.00 H new ATOM 0 HB VAL A 77 7.765 1.573 -3.102 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.139 3.591 -1.838 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.899 3.993 -3.397 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.135 4.129 -3.205 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.820 1.525 -1.587 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.759 1.968 -2.945 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.619 0.410 -2.959 1.00 0.00 H new ATOM 963 N ASN A 78 7.600 3.923 -6.122 1.00 0.00 N ATOM 964 CA ASN A 78 8.635 4.691 -6.808 1.00 0.00 C ATOM 965 C ASN A 78 9.316 3.846 -7.881 1.00 0.00 C ATOM 966 O ASN A 78 10.483 4.061 -8.210 1.00 0.00 O ATOM 967 CB ASN A 78 9.672 5.202 -5.803 1.00 0.00 C ATOM 968 CG ASN A 78 9.799 6.713 -5.824 1.00 0.00 C ATOM 969 OD1 ASN A 78 10.143 7.304 -6.848 1.00 0.00 O ATOM 970 ND2 ASN A 78 9.524 7.347 -4.690 1.00 0.00 N ATOM 0 H ASN A 78 6.687 4.376 -6.095 1.00 0.00 H new ATOM 0 HA ASN A 78 8.161 5.545 -7.292 1.00 0.00 H new ATOM 0 HB2 ASN A 78 9.394 4.877 -4.800 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.641 4.755 -6.025 1.00 0.00 H new ATOM 0 HD21 ASN A 78 9.594 8.364 -4.644 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.242 6.817 -3.865 1.00 0.00 H new ATOM 977 N GLY A 79 8.579 2.882 -8.421 1.00 0.00 N ATOM 978 CA GLY A 79 9.122 2.016 -9.451 1.00 0.00 C ATOM 979 C GLY A 79 9.852 0.812 -8.880 1.00 0.00 C ATOM 980 O GLY A 79 10.589 0.133 -9.594 1.00 0.00 O ATOM 0 H GLY A 79 7.612 2.684 -8.163 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.313 1.673 -10.095 1.00 0.00 H new ATOM 0 HA3 GLY A 79 9.807 2.588 -10.077 1.00 0.00 H new ATOM 984 N VAL A 80 9.648 0.548 -7.592 1.00 0.00 N ATOM 985 CA VAL A 80 10.293 -0.579 -6.934 1.00 0.00 C ATOM 986 C VAL A 80 9.296 -1.691 -6.630 1.00 0.00 C ATOM 987 O VAL A 80 8.367 -1.506 -5.844 1.00 0.00 O ATOM 988 CB VAL A 80 10.981 -0.151 -5.623 1.00 0.00 C ATOM 989 CG1 VAL A 80 11.536 -1.358 -4.879 1.00 0.00 C ATOM 990 CG2 VAL A 80 12.082 0.859 -5.906 1.00 0.00 C ATOM 0 H VAL A 80 9.041 1.100 -6.986 1.00 0.00 H new ATOM 0 HA VAL A 80 11.047 -0.952 -7.627 1.00 0.00 H new ATOM 0 HB VAL A 80 10.234 0.322 -4.985 1.00 0.00 H new ATOM 0 HG11 VAL A 80 12.016 -1.028 -3.958 1.00 0.00 H new ATOM 0 HG12 VAL A 80 10.723 -2.043 -4.639 1.00 0.00 H new ATOM 0 HG13 VAL A 80 12.267 -1.868 -5.507 1.00 0.00 H new ATOM 0 HG21 VAL A 80 12.558 1.151 -4.970 1.00 0.00 H new ATOM 0 HG22 VAL A 80 12.825 0.412 -6.566 1.00 0.00 H new ATOM 0 HG23 VAL A 80 11.654 1.739 -6.385 1.00 0.00 H new ATOM 1000 N ASP A 81 9.505 -2.849 -7.242 1.00 0.00 N ATOM 1001 CA ASP A 81 8.636 -3.993 -7.022 1.00 0.00 C ATOM 1002 C ASP A 81 8.694 -4.423 -5.562 1.00 0.00 C ATOM 1003 O ASP A 81 9.733 -4.869 -5.077 1.00 0.00 O ATOM 1004 CB ASP A 81 9.043 -5.157 -7.928 1.00 0.00 C ATOM 1005 CG ASP A 81 10.538 -5.417 -7.904 1.00 0.00 C ATOM 1006 OD1 ASP A 81 11.232 -4.810 -7.062 1.00 0.00 O ATOM 1007 OD2 ASP A 81 11.012 -6.228 -8.727 1.00 0.00 O ATOM 0 H ASP A 81 10.270 -3.019 -7.895 1.00 0.00 H new ATOM 0 HA ASP A 81 7.614 -3.703 -7.266 1.00 0.00 H new ATOM 0 HB2 ASP A 81 8.516 -6.058 -7.615 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.731 -4.944 -8.950 1.00 0.00 H new ATOM 1012 N LEU A 82 7.571 -4.288 -4.865 1.00 0.00 N ATOM 1013 CA LEU A 82 7.498 -4.663 -3.459 1.00 0.00 C ATOM 1014 C LEU A 82 7.220 -6.155 -3.300 1.00 0.00 C ATOM 1015 O LEU A 82 6.738 -6.596 -2.258 1.00 0.00 O ATOM 1016 CB LEU A 82 6.414 -3.852 -2.749 1.00 0.00 C ATOM 1017 CG LEU A 82 6.468 -2.344 -2.998 1.00 0.00 C ATOM 1018 CD1 LEU A 82 5.067 -1.781 -3.177 1.00 0.00 C ATOM 1019 CD2 LEU A 82 7.184 -1.638 -1.855 1.00 0.00 C ATOM 0 H LEU A 82 6.700 -3.922 -5.251 1.00 0.00 H new ATOM 0 HA LEU A 82 8.464 -4.445 -3.004 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.439 -4.223 -3.065 1.00 0.00 H new ATOM 0 HB3 LEU A 82 6.491 -4.031 -1.677 1.00 0.00 H new ATOM 0 HG LEU A 82 7.029 -2.169 -3.916 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.126 -0.707 -3.353 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.588 -2.263 -4.029 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.481 -1.969 -2.277 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.212 -0.566 -2.050 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.651 -1.823 -0.922 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.202 -2.019 -1.773 1.00 0.00 H new ATOM 1031 N ALA A 83 7.528 -6.930 -4.338 1.00 0.00 N ATOM 1032 CA ALA A 83 7.312 -8.370 -4.301 1.00 0.00 C ATOM 1033 C ALA A 83 8.532 -9.089 -3.741 1.00 0.00 C ATOM 1034 O ALA A 83 9.491 -9.362 -4.462 1.00 0.00 O ATOM 1035 CB ALA A 83 6.980 -8.891 -5.691 1.00 0.00 C ATOM 0 H ALA A 83 7.926 -6.584 -5.211 1.00 0.00 H new ATOM 0 HA ALA A 83 6.468 -8.571 -3.641 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.821 -9.969 -5.647 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.075 -8.405 -6.055 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.806 -8.673 -6.368 1.00 0.00 H new ATOM 1041 N GLY A 84 8.491 -9.391 -2.448 1.00 0.00 N ATOM 1042 CA GLY A 84 9.600 -10.071 -1.808 1.00 0.00 C ATOM 1043 C GLY A 84 10.408 -9.150 -0.912 1.00 0.00 C ATOM 1044 O GLY A 84 11.528 -9.480 -0.521 1.00 0.00 O ATOM 0 H GLY A 84 7.708 -9.176 -1.831 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.219 -10.904 -1.218 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.253 -10.494 -2.572 1.00 0.00 H new ATOM 1048 N LYS A 85 9.839 -7.992 -0.585 1.00 0.00 N ATOM 1049 CA LYS A 85 10.516 -7.027 0.272 1.00 0.00 C ATOM 1050 C LYS A 85 10.136 -7.241 1.737 1.00 0.00 C ATOM 1051 O LYS A 85 10.774 -8.025 2.438 1.00 0.00 O ATOM 1052 CB LYS A 85 10.180 -5.598 -0.170 1.00 0.00 C ATOM 1053 CG LYS A 85 10.992 -5.124 -1.367 1.00 0.00 C ATOM 1054 CD LYS A 85 11.760 -3.850 -1.054 1.00 0.00 C ATOM 1055 CE LYS A 85 12.520 -3.345 -2.269 1.00 0.00 C ATOM 1056 NZ LYS A 85 13.873 -2.838 -1.909 1.00 0.00 N ATOM 0 H LYS A 85 8.914 -7.701 -0.900 1.00 0.00 H new ATOM 0 HA LYS A 85 11.591 -7.177 0.177 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.120 -5.542 -0.416 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.349 -4.919 0.665 1.00 0.00 H new ATOM 0 HG2 LYS A 85 11.690 -5.906 -1.666 1.00 0.00 H new ATOM 0 HG3 LYS A 85 10.327 -4.950 -2.213 1.00 0.00 H new ATOM 0 HD2 LYS A 85 11.067 -3.081 -0.711 1.00 0.00 H new ATOM 0 HD3 LYS A 85 12.458 -4.036 -0.238 1.00 0.00 H new ATOM 0 HE2 LYS A 85 12.616 -4.151 -2.997 1.00 0.00 H new ATOM 0 HE3 LYS A 85 11.950 -2.549 -2.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 14.358 -2.503 -2.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.781 -2.052 -1.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 14.427 -3.604 -1.475 1.00 0.00 H new ATOM 1070 N SER A 86 9.093 -6.543 2.191 1.00 0.00 N ATOM 1071 CA SER A 86 8.621 -6.655 3.572 1.00 0.00 C ATOM 1072 C SER A 86 7.727 -5.471 3.922 1.00 0.00 C ATOM 1073 O SER A 86 7.744 -4.448 3.242 1.00 0.00 O ATOM 1074 CB SER A 86 9.797 -6.723 4.552 1.00 0.00 C ATOM 1075 OG SER A 86 9.944 -8.028 5.083 1.00 0.00 O ATOM 0 H SER A 86 8.557 -5.891 1.619 1.00 0.00 H new ATOM 0 HA SER A 86 8.047 -7.578 3.657 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.715 -6.428 4.044 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.640 -6.013 5.363 1.00 0.00 H new ATOM 0 HG SER A 86 10.317 -8.620 4.397 1.00 0.00 H new ATOM 1081 N GLN A 87 6.959 -5.611 4.995 1.00 0.00 N ATOM 1082 CA GLN A 87 6.074 -4.543 5.436 1.00 0.00 C ATOM 1083 C GLN A 87 6.895 -3.376 5.951 1.00 0.00 C ATOM 1084 O GLN A 87 6.748 -2.247 5.490 1.00 0.00 O ATOM 1085 CB GLN A 87 5.120 -5.043 6.525 1.00 0.00 C ATOM 1086 CG GLN A 87 4.216 -3.959 7.090 1.00 0.00 C ATOM 1087 CD GLN A 87 3.418 -3.245 6.015 1.00 0.00 C ATOM 1088 OE1 GLN A 87 3.983 -2.668 5.087 1.00 0.00 O ATOM 1089 NE2 GLN A 87 2.098 -3.281 6.138 1.00 0.00 N ATOM 0 H GLN A 87 6.932 -6.451 5.573 1.00 0.00 H new ATOM 0 HA GLN A 87 5.476 -4.212 4.587 1.00 0.00 H new ATOM 0 HB2 GLN A 87 4.502 -5.842 6.115 1.00 0.00 H new ATOM 0 HB3 GLN A 87 5.704 -5.476 7.337 1.00 0.00 H new ATOM 0 HG2 GLN A 87 3.530 -4.403 7.812 1.00 0.00 H new ATOM 0 HG3 GLN A 87 4.821 -3.232 7.631 1.00 0.00 H new ATOM 0 HE21 GLN A 87 1.672 -3.772 6.924 1.00 0.00 H new ATOM 0 HE22 GLN A 87 1.509 -2.818 5.446 1.00 0.00 H new ATOM 1098 N GLU A 88 7.780 -3.666 6.894 1.00 0.00 N ATOM 1099 CA GLU A 88 8.649 -2.644 7.452 1.00 0.00 C ATOM 1100 C GLU A 88 9.555 -2.094 6.361 1.00 0.00 C ATOM 1101 O GLU A 88 9.936 -0.924 6.385 1.00 0.00 O ATOM 1102 CB GLU A 88 9.485 -3.215 8.599 1.00 0.00 C ATOM 1103 CG GLU A 88 10.436 -4.319 8.166 1.00 0.00 C ATOM 1104 CD GLU A 88 11.891 -3.899 8.237 1.00 0.00 C ATOM 1105 OE1 GLU A 88 12.161 -2.681 8.179 1.00 0.00 O ATOM 1106 OE2 GLU A 88 12.761 -4.789 8.354 1.00 0.00 O ATOM 0 H GLU A 88 7.914 -4.598 7.287 1.00 0.00 H new ATOM 0 HA GLU A 88 8.034 -1.836 7.849 1.00 0.00 H new ATOM 0 HB2 GLU A 88 10.060 -2.409 9.055 1.00 0.00 H new ATOM 0 HB3 GLU A 88 8.816 -3.603 9.367 1.00 0.00 H new ATOM 0 HG2 GLU A 88 10.283 -5.193 8.799 1.00 0.00 H new ATOM 0 HG3 GLU A 88 10.198 -4.618 7.145 1.00 0.00 H new ATOM 1113 N GLU A 89 9.879 -2.945 5.390 1.00 0.00 N ATOM 1114 CA GLU A 89 10.722 -2.536 4.276 1.00 0.00 C ATOM 1115 C GLU A 89 9.951 -1.580 3.379 1.00 0.00 C ATOM 1116 O GLU A 89 10.425 -0.491 3.054 1.00 0.00 O ATOM 1117 CB GLU A 89 11.183 -3.753 3.474 1.00 0.00 C ATOM 1118 CG GLU A 89 12.301 -4.532 4.143 1.00 0.00 C ATOM 1119 CD GLU A 89 13.639 -3.825 4.057 1.00 0.00 C ATOM 1120 OE1 GLU A 89 13.650 -2.576 4.033 1.00 0.00 O ATOM 1121 OE2 GLU A 89 14.677 -4.519 4.013 1.00 0.00 O ATOM 0 H GLU A 89 9.571 -3.917 5.354 1.00 0.00 H new ATOM 0 HA GLU A 89 11.605 -2.031 4.669 1.00 0.00 H new ATOM 0 HB2 GLU A 89 10.333 -4.417 3.315 1.00 0.00 H new ATOM 0 HB3 GLU A 89 11.518 -3.424 2.490 1.00 0.00 H new ATOM 0 HG2 GLU A 89 12.048 -4.696 5.190 1.00 0.00 H new ATOM 0 HG3 GLU A 89 12.383 -5.514 3.678 1.00 0.00 H new ATOM 1128 N VAL A 90 8.751 -1.995 2.999 1.00 0.00 N ATOM 1129 CA VAL A 90 7.887 -1.182 2.156 1.00 0.00 C ATOM 1130 C VAL A 90 7.578 0.146 2.843 1.00 0.00 C ATOM 1131 O VAL A 90 7.699 1.221 2.247 1.00 0.00 O ATOM 1132 CB VAL A 90 6.569 -1.922 1.833 1.00 0.00 C ATOM 1133 CG1 VAL A 90 5.602 -1.012 1.088 1.00 0.00 C ATOM 1134 CG2 VAL A 90 6.851 -3.183 1.025 1.00 0.00 C ATOM 0 H VAL A 90 8.352 -2.896 3.263 1.00 0.00 H new ATOM 0 HA VAL A 90 8.413 -0.991 1.221 1.00 0.00 H new ATOM 0 HB VAL A 90 6.101 -2.211 2.774 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.683 -1.557 0.873 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.373 -0.142 1.704 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.057 -0.685 0.153 1.00 0.00 H new ATOM 0 HG21 VAL A 90 5.912 -3.692 0.806 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.344 -2.914 0.091 1.00 0.00 H new ATOM 0 HG23 VAL A 90 7.498 -3.846 1.599 1.00 0.00 H new ATOM 1144 N VAL A 91 7.196 0.060 4.113 1.00 0.00 N ATOM 1145 CA VAL A 91 6.890 1.247 4.894 1.00 0.00 C ATOM 1146 C VAL A 91 8.122 2.134 5.000 1.00 0.00 C ATOM 1147 O VAL A 91 8.014 3.357 5.044 1.00 0.00 O ATOM 1148 CB VAL A 91 6.397 0.885 6.309 1.00 0.00 C ATOM 1149 CG1 VAL A 91 5.976 2.135 7.067 1.00 0.00 C ATOM 1150 CG2 VAL A 91 5.249 -0.112 6.235 1.00 0.00 C ATOM 0 H VAL A 91 7.092 -0.819 4.620 1.00 0.00 H new ATOM 0 HA VAL A 91 6.091 1.782 4.380 1.00 0.00 H new ATOM 0 HB VAL A 91 7.220 0.420 6.851 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.631 1.858 8.063 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.826 2.812 7.153 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.169 2.632 6.529 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.914 -0.356 7.243 1.00 0.00 H new ATOM 0 HG22 VAL A 91 4.423 0.325 5.674 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.587 -1.020 5.735 1.00 0.00 H new ATOM 1160 N SER A 92 9.294 1.502 5.025 1.00 0.00 N ATOM 1161 CA SER A 92 10.549 2.232 5.108 1.00 0.00 C ATOM 1162 C SER A 92 10.761 3.063 3.847 1.00 0.00 C ATOM 1163 O SER A 92 11.301 4.167 3.905 1.00 0.00 O ATOM 1164 CB SER A 92 11.720 1.269 5.308 1.00 0.00 C ATOM 1165 OG SER A 92 12.955 1.894 5.003 1.00 0.00 O ATOM 0 H SER A 92 9.396 0.488 4.989 1.00 0.00 H new ATOM 0 HA SER A 92 10.501 2.901 5.967 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.733 0.917 6.339 1.00 0.00 H new ATOM 0 HB3 SER A 92 11.586 0.393 4.674 1.00 0.00 H new ATOM 0 HG SER A 92 13.687 1.257 5.141 1.00 0.00 H new ATOM 1171 N LEU A 93 10.319 2.531 2.710 1.00 0.00 N ATOM 1172 CA LEU A 93 10.451 3.243 1.441 1.00 0.00 C ATOM 1173 C LEU A 93 9.647 4.532 1.489 1.00 0.00 C ATOM 1174 O LEU A 93 10.161 5.614 1.206 1.00 0.00 O ATOM 1175 CB LEU A 93 9.971 2.389 0.265 1.00 0.00 C ATOM 1176 CG LEU A 93 10.264 0.897 0.382 1.00 0.00 C ATOM 1177 CD1 LEU A 93 9.672 0.142 -0.797 1.00 0.00 C ATOM 1178 CD2 LEU A 93 11.762 0.653 0.478 1.00 0.00 C ATOM 0 H LEU A 93 9.870 1.618 2.641 1.00 0.00 H new ATOM 0 HA LEU A 93 11.507 3.466 1.292 1.00 0.00 H new ATOM 0 HB2 LEU A 93 8.895 2.524 0.155 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.435 2.763 -0.648 1.00 0.00 H new ATOM 0 HG LEU A 93 9.798 0.526 1.294 1.00 0.00 H new ATOM 0 HD11 LEU A 93 9.891 -0.921 -0.696 1.00 0.00 H new ATOM 0 HD12 LEU A 93 8.592 0.289 -0.818 1.00 0.00 H new ATOM 0 HD13 LEU A 93 10.107 0.516 -1.724 1.00 0.00 H new ATOM 0 HD21 LEU A 93 11.952 -0.417 0.561 1.00 0.00 H new ATOM 0 HD22 LEU A 93 12.252 1.040 -0.415 1.00 0.00 H new ATOM 0 HD23 LEU A 93 12.158 1.161 1.358 1.00 0.00 H new ATOM 1190 N LEU A 94 8.380 4.402 1.866 1.00 0.00 N ATOM 1191 CA LEU A 94 7.494 5.563 1.968 1.00 0.00 C ATOM 1192 C LEU A 94 7.964 6.481 3.088 1.00 0.00 C ATOM 1193 O LEU A 94 7.965 7.704 2.950 1.00 0.00 O ATOM 1194 CB LEU A 94 6.034 5.147 2.222 1.00 0.00 C ATOM 1195 CG LEU A 94 5.740 3.649 2.135 1.00 0.00 C ATOM 1196 CD1 LEU A 94 4.304 3.365 2.544 1.00 0.00 C ATOM 1197 CD2 LEU A 94 6.010 3.136 0.727 1.00 0.00 C ATOM 0 H LEU A 94 7.943 3.512 2.105 1.00 0.00 H new ATOM 0 HA LEU A 94 7.534 6.091 1.015 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.744 5.497 3.213 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.399 5.664 1.503 1.00 0.00 H new ATOM 0 HG LEU A 94 6.402 3.124 2.824 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.111 2.294 2.476 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.145 3.698 3.570 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.624 3.899 1.880 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.796 2.068 0.682 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.372 3.664 0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 94 7.056 3.308 0.471 1.00 0.00 H new ATOM 1209 N ARG A 95 8.366 5.876 4.196 1.00 0.00 N ATOM 1210 CA ARG A 95 8.847 6.629 5.349 1.00 0.00 C ATOM 1211 C ARG A 95 10.170 7.319 5.026 1.00 0.00 C ATOM 1212 O ARG A 95 10.476 8.382 5.566 1.00 0.00 O ATOM 1213 CB ARG A 95 9.020 5.709 6.556 1.00 0.00 C ATOM 1214 CG ARG A 95 7.778 5.614 7.426 1.00 0.00 C ATOM 1215 CD ARG A 95 8.136 5.460 8.895 1.00 0.00 C ATOM 1216 NE ARG A 95 7.897 6.688 9.651 1.00 0.00 N ATOM 1217 CZ ARG A 95 6.702 7.063 10.099 1.00 0.00 C ATOM 1218 NH1 ARG A 95 5.632 6.310 9.868 1.00 0.00 N ATOM 1219 NH2 ARG A 95 6.574 8.193 10.781 1.00 0.00 N ATOM 0 H ARG A 95 8.369 4.864 4.323 1.00 0.00 H new ATOM 0 HA ARG A 95 8.105 7.390 5.591 1.00 0.00 H new ATOM 0 HB2 ARG A 95 9.288 4.711 6.208 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.852 6.069 7.161 1.00 0.00 H new ATOM 0 HG2 ARG A 95 7.169 6.508 7.291 1.00 0.00 H new ATOM 0 HG3 ARG A 95 7.173 4.765 7.107 1.00 0.00 H new ATOM 0 HD2 ARG A 95 7.550 4.649 9.327 1.00 0.00 H new ATOM 0 HD3 ARG A 95 9.185 5.178 8.984 1.00 0.00 H new ATOM 0 HE ARG A 95 8.694 7.293 9.847 1.00 0.00 H new ATOM 0 HH11 ARG A 95 5.724 5.439 9.345 1.00 0.00 H new ATOM 0 HH12 ARG A 95 4.718 6.603 10.214 1.00 0.00 H new ATOM 0 HH21 ARG A 95 7.392 8.775 10.962 1.00 0.00 H new ATOM 0 HH22 ARG A 95 5.658 8.480 11.124 1.00 0.00 H new ATOM 1233 N SER A 96 10.953 6.703 4.144 1.00 0.00 N ATOM 1234 CA SER A 96 12.244 7.254 3.750 1.00 0.00 C ATOM 1235 C SER A 96 12.059 8.524 2.929 1.00 0.00 C ATOM 1236 O SER A 96 12.892 9.430 2.971 1.00 0.00 O ATOM 1237 CB SER A 96 13.038 6.225 2.946 1.00 0.00 C ATOM 1238 OG SER A 96 14.312 6.731 2.584 1.00 0.00 O ATOM 0 H SER A 96 10.715 5.822 3.689 1.00 0.00 H new ATOM 0 HA SER A 96 12.799 7.502 4.655 1.00 0.00 H new ATOM 0 HB2 SER A 96 13.159 5.315 3.533 1.00 0.00 H new ATOM 0 HB3 SER A 96 12.483 5.954 2.048 1.00 0.00 H new ATOM 0 HG SER A 96 14.800 6.053 2.072 1.00 0.00 H new ATOM 1244 N THR A 97 10.960 8.584 2.183 1.00 0.00 N ATOM 1245 CA THR A 97 10.660 9.744 1.354 1.00 0.00 C ATOM 1246 C THR A 97 10.646 11.019 2.195 1.00 0.00 C ATOM 1247 O THR A 97 10.144 11.026 3.319 1.00 0.00 O ATOM 1248 CB THR A 97 9.312 9.564 0.652 1.00 0.00 C ATOM 1249 OG1 THR A 97 8.858 8.227 0.772 1.00 0.00 O ATOM 1250 CG2 THR A 97 9.351 9.895 -0.822 1.00 0.00 C ATOM 0 H THR A 97 10.262 7.841 2.136 1.00 0.00 H new ATOM 0 HA THR A 97 11.441 9.834 0.599 1.00 0.00 H new ATOM 0 HB THR A 97 8.638 10.262 1.149 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.201 8.168 1.497 1.00 0.00 H new ATOM 0 HG21 THR A 97 8.362 9.745 -1.255 1.00 0.00 H new ATOM 0 HG22 THR A 97 9.651 10.935 -0.954 1.00 0.00 H new ATOM 0 HG23 THR A 97 10.068 9.244 -1.322 1.00 0.00 H new ATOM 1258 N LYS A 98 11.197 12.093 1.642 1.00 0.00 N ATOM 1259 CA LYS A 98 11.246 13.371 2.342 1.00 0.00 C ATOM 1260 C LYS A 98 10.263 14.361 1.730 1.00 0.00 C ATOM 1261 O LYS A 98 9.787 14.163 0.611 1.00 0.00 O ATOM 1262 CB LYS A 98 12.660 13.956 2.313 1.00 0.00 C ATOM 1263 CG LYS A 98 13.425 13.645 1.038 1.00 0.00 C ATOM 1264 CD LYS A 98 12.787 14.311 -0.173 1.00 0.00 C ATOM 1265 CE LYS A 98 13.831 14.957 -1.072 1.00 0.00 C ATOM 1266 NZ LYS A 98 13.509 16.382 -1.360 1.00 0.00 N ATOM 0 H LYS A 98 11.616 12.105 0.712 1.00 0.00 H new ATOM 0 HA LYS A 98 10.964 13.192 3.379 1.00 0.00 H new ATOM 0 HB2 LYS A 98 12.598 15.037 2.434 1.00 0.00 H new ATOM 0 HB3 LYS A 98 13.220 13.571 3.165 1.00 0.00 H new ATOM 0 HG2 LYS A 98 14.456 13.984 1.140 1.00 0.00 H new ATOM 0 HG3 LYS A 98 13.457 12.566 0.886 1.00 0.00 H new ATOM 0 HD2 LYS A 98 12.224 13.571 -0.742 1.00 0.00 H new ATOM 0 HD3 LYS A 98 12.075 15.066 0.159 1.00 0.00 H new ATOM 0 HE2 LYS A 98 14.809 14.895 -0.595 1.00 0.00 H new ATOM 0 HE3 LYS A 98 13.897 14.403 -2.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 14.244 16.786 -1.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 12.587 16.440 -1.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 13.471 16.916 -0.469 1.00 0.00 H new ATOM 1280 N MET A 99 9.962 15.427 2.469 1.00 0.00 N ATOM 1281 CA MET A 99 9.032 16.451 1.998 1.00 0.00 C ATOM 1282 C MET A 99 9.337 16.841 0.554 1.00 0.00 C ATOM 1283 O MET A 99 10.491 16.820 0.128 1.00 0.00 O ATOM 1284 CB MET A 99 9.102 17.688 2.896 1.00 0.00 C ATOM 1285 CG MET A 99 8.821 17.398 4.362 1.00 0.00 C ATOM 1286 SD MET A 99 7.071 17.535 4.773 1.00 0.00 S ATOM 1287 CE MET A 99 6.706 15.852 5.264 1.00 0.00 C ATOM 0 H MET A 99 10.349 15.604 3.396 1.00 0.00 H new ATOM 0 HA MET A 99 8.025 16.036 2.040 1.00 0.00 H new ATOM 0 HB2 MET A 99 10.092 18.135 2.807 1.00 0.00 H new ATOM 0 HB3 MET A 99 8.385 18.427 2.537 1.00 0.00 H new ATOM 0 HG2 MET A 99 9.169 16.394 4.603 1.00 0.00 H new ATOM 0 HG3 MET A 99 9.391 18.090 4.981 1.00 0.00 H new ATOM 0 HE1 MET A 99 5.656 15.775 5.548 1.00 0.00 H new ATOM 0 HE2 MET A 99 6.907 15.178 4.431 1.00 0.00 H new ATOM 0 HE3 MET A 99 7.333 15.576 6.112 1.00 0.00 H new ATOM 1297 N GLU A 100 8.296 17.184 -0.198 1.00 0.00 N ATOM 1298 CA GLU A 100 8.463 17.562 -1.596 1.00 0.00 C ATOM 1299 C GLU A 100 9.063 16.408 -2.388 1.00 0.00 C ATOM 1300 O GLU A 100 10.278 16.333 -2.574 1.00 0.00 O ATOM 1301 CB GLU A 100 9.357 18.799 -1.710 1.00 0.00 C ATOM 1302 CG GLU A 100 8.976 19.916 -0.750 1.00 0.00 C ATOM 1303 CD GLU A 100 9.558 21.255 -1.155 1.00 0.00 C ATOM 1304 OE1 GLU A 100 8.959 21.925 -2.022 1.00 0.00 O ATOM 1305 OE2 GLU A 100 10.613 21.634 -0.606 1.00 0.00 O ATOM 0 H GLU A 100 7.332 17.208 0.136 1.00 0.00 H new ATOM 0 HA GLU A 100 7.483 17.799 -2.010 1.00 0.00 H new ATOM 0 HB2 GLU A 100 10.391 18.508 -1.524 1.00 0.00 H new ATOM 0 HB3 GLU A 100 9.311 19.177 -2.731 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.890 19.995 -0.703 1.00 0.00 H new ATOM 0 HG3 GLU A 100 9.321 19.662 0.252 1.00 0.00 H new ATOM 1312 N GLY A 101 8.204 15.503 -2.844 1.00 0.00 N ATOM 1313 CA GLY A 101 8.660 14.359 -3.600 1.00 0.00 C ATOM 1314 C GLY A 101 7.511 13.476 -4.036 1.00 0.00 C ATOM 1315 O GLY A 101 6.909 12.778 -3.220 1.00 0.00 O ATOM 0 H GLY A 101 7.195 15.545 -2.701 1.00 0.00 H new ATOM 0 HA2 GLY A 101 9.209 14.700 -4.478 1.00 0.00 H new ATOM 0 HA3 GLY A 101 9.355 13.777 -2.995 1.00 0.00 H new ATOM 1319 N THR A 102 7.200 13.519 -5.322 1.00 0.00 N ATOM 1320 CA THR A 102 6.108 12.726 -5.873 1.00 0.00 C ATOM 1321 C THR A 102 6.463 11.244 -5.890 1.00 0.00 C ATOM 1322 O THR A 102 7.285 10.798 -6.691 1.00 0.00 O ATOM 1323 CB THR A 102 5.774 13.196 -7.290 1.00 0.00 C ATOM 1324 OG1 THR A 102 6.060 14.574 -7.443 1.00 0.00 O ATOM 1325 CG2 THR A 102 4.324 12.984 -7.665 1.00 0.00 C ATOM 0 H THR A 102 7.689 14.096 -6.007 1.00 0.00 H new ATOM 0 HA THR A 102 5.236 12.864 -5.234 1.00 0.00 H new ATOM 0 HB THR A 102 6.395 12.589 -7.948 1.00 0.00 H new ATOM 0 HG1 THR A 102 5.841 14.854 -8.356 1.00 0.00 H new ATOM 0 HG21 THR A 102 4.156 13.339 -8.682 1.00 0.00 H new ATOM 0 HG22 THR A 102 4.085 11.922 -7.607 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.685 13.538 -6.977 1.00 0.00 H new ATOM 1333 N VAL A 103 5.831 10.485 -5.000 1.00 0.00 N ATOM 1334 CA VAL A 103 6.070 9.050 -4.907 1.00 0.00 C ATOM 1335 C VAL A 103 5.036 8.278 -5.723 1.00 0.00 C ATOM 1336 O VAL A 103 3.852 8.263 -5.389 1.00 0.00 O ATOM 1337 CB VAL A 103 6.024 8.571 -3.439 1.00 0.00 C ATOM 1338 CG1 VAL A 103 6.248 7.068 -3.349 1.00 0.00 C ATOM 1339 CG2 VAL A 103 7.050 9.320 -2.603 1.00 0.00 C ATOM 0 H VAL A 103 5.148 10.842 -4.332 1.00 0.00 H new ATOM 0 HA VAL A 103 7.065 8.857 -5.309 1.00 0.00 H new ATOM 0 HB VAL A 103 5.032 8.786 -3.041 1.00 0.00 H new ATOM 0 HG11 VAL A 103 6.211 6.756 -2.305 1.00 0.00 H new ATOM 0 HG12 VAL A 103 5.470 6.550 -3.910 1.00 0.00 H new ATOM 0 HG13 VAL A 103 7.224 6.820 -3.767 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.004 8.970 -1.572 1.00 0.00 H new ATOM 0 HG22 VAL A 103 8.048 9.139 -3.003 1.00 0.00 H new ATOM 0 HG23 VAL A 103 6.835 10.388 -2.634 1.00 0.00 H new ATOM 1349 N SER A 104 5.494 7.639 -6.795 1.00 0.00 N ATOM 1350 CA SER A 104 4.608 6.867 -7.657 1.00 0.00 C ATOM 1351 C SER A 104 4.423 5.459 -7.111 1.00 0.00 C ATOM 1352 O SER A 104 5.337 4.636 -7.166 1.00 0.00 O ATOM 1353 CB SER A 104 5.169 6.807 -9.080 1.00 0.00 C ATOM 1354 OG SER A 104 6.046 7.892 -9.330 1.00 0.00 O ATOM 0 H SER A 104 6.471 7.641 -7.086 1.00 0.00 H new ATOM 0 HA SER A 104 3.637 7.362 -7.681 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.699 5.866 -9.225 1.00 0.00 H new ATOM 0 HB3 SER A 104 4.349 6.825 -9.798 1.00 0.00 H new ATOM 0 HG SER A 104 6.392 7.829 -10.245 1.00 0.00 H new ATOM 1360 N LEU A 105 3.238 5.187 -6.576 1.00 0.00 N ATOM 1361 CA LEU A 105 2.941 3.879 -6.013 1.00 0.00 C ATOM 1362 C LEU A 105 1.929 3.127 -6.866 1.00 0.00 C ATOM 1363 O LEU A 105 0.822 3.610 -7.109 1.00 0.00 O ATOM 1364 CB LEU A 105 2.409 4.026 -4.586 1.00 0.00 C ATOM 1365 CG LEU A 105 3.149 5.049 -3.722 1.00 0.00 C ATOM 1366 CD1 LEU A 105 2.361 6.346 -3.630 1.00 0.00 C ATOM 1367 CD2 LEU A 105 3.411 4.483 -2.334 1.00 0.00 C ATOM 0 H LEU A 105 2.469 5.855 -6.521 1.00 0.00 H new ATOM 0 HA LEU A 105 3.867 3.305 -5.996 1.00 0.00 H new ATOM 0 HB2 LEU A 105 1.357 4.307 -4.634 1.00 0.00 H new ATOM 0 HB3 LEU A 105 2.458 3.054 -4.094 1.00 0.00 H new ATOM 0 HG LEU A 105 4.108 5.266 -4.193 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.905 7.059 -3.011 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.226 6.761 -4.629 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.386 6.149 -3.184 1.00 0.00 H new ATOM 0 HD21 LEU A 105 3.938 5.224 -1.733 1.00 0.00 H new ATOM 0 HD22 LEU A 105 2.463 4.236 -1.857 1.00 0.00 H new ATOM 0 HD23 LEU A 105 4.020 3.583 -2.417 1.00 0.00 H new ATOM 1379 N LEU A 106 2.312 1.935 -7.308 1.00 0.00 N ATOM 1380 CA LEU A 106 1.435 1.107 -8.120 1.00 0.00 C ATOM 1381 C LEU A 106 0.544 0.259 -7.223 1.00 0.00 C ATOM 1382 O LEU A 106 1.032 -0.449 -6.344 1.00 0.00 O ATOM 1383 CB LEU A 106 2.252 0.206 -9.049 1.00 0.00 C ATOM 1384 CG LEU A 106 1.458 -0.449 -10.180 1.00 0.00 C ATOM 1385 CD1 LEU A 106 0.893 0.605 -11.119 1.00 0.00 C ATOM 1386 CD2 LEU A 106 2.331 -1.433 -10.944 1.00 0.00 C ATOM 0 H LEU A 106 3.225 1.522 -7.117 1.00 0.00 H new ATOM 0 HA LEU A 106 0.811 1.759 -8.732 1.00 0.00 H new ATOM 0 HB2 LEU A 106 3.058 0.796 -9.486 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.718 -0.578 -8.452 1.00 0.00 H new ATOM 0 HG LEU A 106 0.625 -0.997 -9.741 1.00 0.00 H new ATOM 0 HD11 LEU A 106 0.332 0.118 -11.917 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.232 1.270 -10.564 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.710 1.183 -11.551 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.749 -1.890 -11.745 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.185 -0.907 -11.370 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.685 -2.209 -10.265 1.00 0.00 H new ATOM 1398 N VAL A 107 -0.761 0.340 -7.439 1.00 0.00 N ATOM 1399 CA VAL A 107 -1.713 -0.417 -6.638 1.00 0.00 C ATOM 1400 C VAL A 107 -2.490 -1.407 -7.496 1.00 0.00 C ATOM 1401 O VAL A 107 -2.436 -1.356 -8.724 1.00 0.00 O ATOM 1402 CB VAL A 107 -2.704 0.519 -5.916 1.00 0.00 C ATOM 1403 CG1 VAL A 107 -1.957 1.510 -5.037 1.00 0.00 C ATOM 1404 CG2 VAL A 107 -3.586 1.247 -6.921 1.00 0.00 C ATOM 0 H VAL A 107 -1.185 0.922 -8.162 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.137 -0.967 -5.893 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.347 -0.088 -5.278 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.672 2.162 -4.535 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.375 0.968 -4.291 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.288 2.111 -5.653 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.278 1.902 -6.391 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -2.963 1.842 -7.589 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.150 0.519 -7.504 1.00 0.00 H new ATOM 1414 N PHE A 108 -3.217 -2.305 -6.841 1.00 0.00 N ATOM 1415 CA PHE A 108 -4.012 -3.304 -7.543 1.00 0.00 C ATOM 1416 C PHE A 108 -5.364 -3.484 -6.865 1.00 0.00 C ATOM 1417 O PHE A 108 -5.438 -3.839 -5.689 1.00 0.00 O ATOM 1418 CB PHE A 108 -3.269 -4.643 -7.598 1.00 0.00 C ATOM 1419 CG PHE A 108 -4.036 -5.735 -8.295 1.00 0.00 C ATOM 1420 CD1 PHE A 108 -5.149 -6.309 -7.698 1.00 0.00 C ATOM 1421 CD2 PHE A 108 -3.643 -6.188 -9.545 1.00 0.00 C ATOM 1422 CE1 PHE A 108 -5.854 -7.312 -8.335 1.00 0.00 C ATOM 1423 CE2 PHE A 108 -4.345 -7.192 -10.186 1.00 0.00 C ATOM 1424 CZ PHE A 108 -5.452 -7.754 -9.581 1.00 0.00 C ATOM 0 H PHE A 108 -3.272 -2.361 -5.824 1.00 0.00 H new ATOM 0 HA PHE A 108 -4.175 -2.954 -8.562 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -2.316 -4.499 -8.108 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -3.041 -4.964 -6.581 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -5.468 -5.968 -6.724 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -2.779 -5.752 -10.023 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -6.719 -7.750 -7.859 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -4.028 -7.537 -11.159 1.00 0.00 H new ATOM 0 HZ PHE A 108 -6.002 -8.537 -10.081 1.00 0.00 H new ATOM 1434 N ARG A 109 -6.433 -3.242 -7.615 1.00 0.00 N ATOM 1435 CA ARG A 109 -7.783 -3.382 -7.084 1.00 0.00 C ATOM 1436 C ARG A 109 -8.408 -4.700 -7.526 1.00 0.00 C ATOM 1437 O ARG A 109 -8.711 -4.892 -8.704 1.00 0.00 O ATOM 1438 CB ARG A 109 -8.656 -2.211 -7.533 1.00 0.00 C ATOM 1439 CG ARG A 109 -8.637 -1.038 -6.566 1.00 0.00 C ATOM 1440 CD ARG A 109 -9.910 -0.214 -6.663 1.00 0.00 C ATOM 1441 NE ARG A 109 -9.680 1.190 -6.325 1.00 0.00 N ATOM 1442 CZ ARG A 109 -10.637 2.027 -5.933 1.00 0.00 C ATOM 1443 NH1 ARG A 109 -11.893 1.609 -5.827 1.00 0.00 N ATOM 1444 NH2 ARG A 109 -10.338 3.286 -5.644 1.00 0.00 N ATOM 0 H ARG A 109 -6.391 -2.948 -8.591 1.00 0.00 H new ATOM 0 HA ARG A 109 -7.720 -3.379 -5.996 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -8.319 -1.871 -8.512 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -9.683 -2.558 -7.652 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -8.518 -1.407 -5.547 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -7.776 -0.405 -6.778 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -10.310 -0.283 -7.675 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -10.663 -0.630 -5.993 1.00 0.00 H new ATOM 0 HE ARG A 109 -8.728 1.550 -6.394 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -12.129 0.641 -6.047 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -12.622 2.256 -5.526 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -9.375 3.612 -5.722 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -11.071 3.928 -5.343 1.00 0.00 H new