USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 750 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 THR OG1 : rot 81:sc= -1.05 USER MOD Set 1.2: A 92 HIS : no HD1:sc= -4.38! C(o=-5.4!,f=-3.2!) USER MOD Set 2.1: A 19 GLN : amide:sc= -1.72! C(o=-1.6!,f=-2.8!) USER MOD Set 2.2: A 20 SER OG : rot 75:sc= 0.0986 USER MOD Single : A 24 HIS : no HD1:sc= -4.29! K(o=-4.3!,f=-3) USER MOD Single : A 27 MET CE :methyl -163:sc= -0.321 (180deg=-1.06) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.00227 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.0779 X(o=-0.078,f=0) USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 92:sc= 0.144 USER MOD Single : A 43 GLN : amide:sc=-0.00336 X(o=-0.0034,f=0) USER MOD Single : A 44 GLN : amide:sc= -0.145 K(o=-0.15,f=-1.6!) USER MOD Single : A 45 THR OG1 : rot -160:sc= -0.936 USER MOD Single : A 46 GLN : amide:sc= 0.133 K(o=0.13,f=-0.71) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -1.11 X(o=-1.1,f=-1.5!) USER MOD Single : A 56 THR OG1 : rot 95:sc= 1.21 USER MOD Single : A 58 GLN : amide:sc= -3.2! C(o=-3.2!,f=-4.2!) USER MOD Single : A 63 ASN : amide:sc= -2.97! K(o=-3!,f=-1.1) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -2.36! X(o=-2.4!,f=-2.4) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0129 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 76 GLN : amide:sc= -7.2! C(o=-7.2!,f=-5.5!) USER MOD Single : A 81 TYR OH : rot -108:sc= 0.59 USER MOD Single : A 82 ASN : amide:sc= -9.01! C(o=-9!,f=-22!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.0236 USER MOD Single : A 89 HIS : no HD1:sc= -1.76 K(o=-1.8,f=-0.44) USER MOD Single : A 93 SER OG : rot 99:sc= 0.614 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 HIS : no HD1:sc= -4.82! K(o=-4.8!,f=-3) USER MOD Single : A 102 ASN : amide:sc= -5.19! C(o=-5.2!,f=-9.2!) USER MOD ----------------------------------------------------------------- ATOM 128 N VAL A 13 -2.652 4.669 -17.571 1.00 0.00 N ATOM 129 CA VAL A 13 -2.366 4.189 -16.224 1.00 0.00 C ATOM 130 C VAL A 13 -3.456 4.612 -15.247 1.00 0.00 C ATOM 131 O VAL A 13 -3.871 3.832 -14.390 1.00 0.00 O ATOM 132 CB VAL A 13 -1.008 4.711 -15.719 1.00 0.00 C ATOM 133 CG1 VAL A 13 -0.754 4.247 -14.293 1.00 0.00 C ATOM 134 CG2 VAL A 13 0.113 4.259 -16.643 1.00 0.00 C ATOM 0 HA VAL A 13 -2.332 3.101 -16.276 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.033 5.801 -15.722 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.210 4.626 -13.953 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.542 4.625 -13.642 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.748 3.158 -14.261 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.066 4.637 -16.271 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.142 3.170 -16.674 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.064 4.646 -17.646 1.00 0.00 H new ATOM 144 N GLU A 14 -3.917 5.851 -15.382 1.00 0.00 N ATOM 145 CA GLU A 14 -4.960 6.378 -14.510 1.00 0.00 C ATOM 146 C GLU A 14 -6.203 5.493 -14.552 1.00 0.00 C ATOM 147 O GLU A 14 -6.808 5.204 -13.521 1.00 0.00 O ATOM 148 CB GLU A 14 -5.323 7.807 -14.917 1.00 0.00 C ATOM 149 CG GLU A 14 -4.188 8.800 -14.734 1.00 0.00 C ATOM 150 CD GLU A 14 -3.663 8.831 -13.312 1.00 0.00 C ATOM 151 OE1 GLU A 14 -4.397 8.396 -12.400 1.00 0.00 O ATOM 152 OE2 GLU A 14 -2.519 9.290 -13.111 1.00 0.00 O ATOM 0 H GLU A 14 -3.585 6.509 -16.087 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.575 6.386 -13.490 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.632 7.810 -15.962 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.180 8.136 -14.330 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.374 8.544 -15.412 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.533 9.796 -15.012 1.00 0.00 H new ATOM 159 N GLY A 15 -6.578 5.067 -15.755 1.00 0.00 N ATOM 160 CA GLY A 15 -7.747 4.221 -15.911 1.00 0.00 C ATOM 161 C GLY A 15 -7.901 3.230 -14.774 1.00 0.00 C ATOM 162 O GLY A 15 -9.012 2.973 -14.312 1.00 0.00 O ATOM 0 H GLY A 15 -6.093 5.293 -16.624 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.639 4.845 -15.968 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.676 3.679 -16.854 1.00 0.00 H new ATOM 166 N ALA A 16 -6.783 2.672 -14.322 1.00 0.00 N ATOM 167 CA ALA A 16 -6.799 1.704 -13.232 1.00 0.00 C ATOM 168 C ALA A 16 -7.709 2.167 -12.100 1.00 0.00 C ATOM 169 O ALA A 16 -8.510 1.392 -11.578 1.00 0.00 O ATOM 170 CB ALA A 16 -5.388 1.469 -12.715 1.00 0.00 C ATOM 0 H ALA A 16 -5.855 2.874 -14.694 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.194 0.765 -13.619 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.415 0.744 -11.901 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.764 1.086 -13.522 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.973 2.409 -12.350 1.00 0.00 H new ATOM 176 N ALA A 17 -7.580 3.435 -11.725 1.00 0.00 N ATOM 177 CA ALA A 17 -8.393 4.002 -10.655 1.00 0.00 C ATOM 178 C ALA A 17 -9.870 3.682 -10.859 1.00 0.00 C ATOM 179 O ALA A 17 -10.609 3.477 -9.896 1.00 0.00 O ATOM 180 CB ALA A 17 -8.183 5.506 -10.573 1.00 0.00 C ATOM 0 H ALA A 17 -6.921 4.090 -12.146 1.00 0.00 H new ATOM 0 HA ALA A 17 -8.077 3.551 -9.714 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.796 5.916 -9.770 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.133 5.716 -10.371 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.470 5.966 -11.519 1.00 0.00 H new ATOM 186 N PHE A 18 -10.293 3.641 -12.118 1.00 0.00 N ATOM 187 CA PHE A 18 -11.683 3.348 -12.448 1.00 0.00 C ATOM 188 C PHE A 18 -12.222 2.218 -11.575 1.00 0.00 C ATOM 189 O PHE A 18 -13.110 2.428 -10.750 1.00 0.00 O ATOM 190 CB PHE A 18 -11.810 2.971 -13.926 1.00 0.00 C ATOM 191 CG PHE A 18 -13.215 2.645 -14.343 1.00 0.00 C ATOM 192 CD1 PHE A 18 -14.163 3.647 -14.473 1.00 0.00 C ATOM 193 CD2 PHE A 18 -13.589 1.337 -14.604 1.00 0.00 C ATOM 194 CE1 PHE A 18 -15.457 3.350 -14.856 1.00 0.00 C ATOM 195 CE2 PHE A 18 -14.882 1.034 -14.988 1.00 0.00 C ATOM 196 CZ PHE A 18 -15.817 2.042 -15.115 1.00 0.00 C ATOM 0 H PHE A 18 -9.693 3.807 -12.926 1.00 0.00 H new ATOM 0 HA PHE A 18 -12.273 4.244 -12.257 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -11.441 3.795 -14.536 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -11.171 2.112 -14.130 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -13.887 4.672 -14.273 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -12.862 0.545 -14.506 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -16.187 4.140 -14.953 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -15.160 0.010 -15.188 1.00 0.00 H new ATOM 0 HZ PHE A 18 -16.827 1.808 -15.416 1.00 0.00 H new ATOM 206 N GLN A 19 -11.679 1.020 -11.766 1.00 0.00 N ATOM 207 CA GLN A 19 -12.106 -0.143 -10.998 1.00 0.00 C ATOM 208 C GLN A 19 -11.839 0.059 -9.510 1.00 0.00 C ATOM 209 O GLN A 19 -12.543 -0.490 -8.663 1.00 0.00 O ATOM 210 CB GLN A 19 -11.386 -1.399 -11.491 1.00 0.00 C ATOM 211 CG GLN A 19 -10.055 -1.648 -10.801 1.00 0.00 C ATOM 212 CD GLN A 19 -10.207 -2.388 -9.487 1.00 0.00 C ATOM 213 OE1 GLN A 19 -11.112 -3.208 -9.325 1.00 0.00 O ATOM 214 NE2 GLN A 19 -9.321 -2.103 -8.540 1.00 0.00 N ATOM 0 H GLN A 19 -10.943 0.830 -12.446 1.00 0.00 H new ATOM 0 HA GLN A 19 -13.179 -0.268 -11.142 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -12.033 -2.263 -11.337 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.219 -1.314 -12.565 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -9.408 -2.223 -11.464 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.560 -0.694 -10.621 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -8.588 -1.417 -8.718 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -9.374 -2.570 -7.635 1.00 0.00 H new ATOM 223 N SER A 20 -10.818 0.851 -9.199 1.00 0.00 N ATOM 224 CA SER A 20 -10.455 1.122 -7.813 1.00 0.00 C ATOM 225 C SER A 20 -11.514 1.985 -7.134 1.00 0.00 C ATOM 226 O SER A 20 -11.646 1.976 -5.910 1.00 0.00 O ATOM 227 CB SER A 20 -9.095 1.819 -7.747 1.00 0.00 C ATOM 228 OG SER A 20 -8.099 1.058 -8.409 1.00 0.00 O ATOM 0 H SER A 20 -10.227 1.316 -9.888 1.00 0.00 H new ATOM 0 HA SER A 20 -10.393 0.170 -7.286 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.166 2.806 -8.204 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.810 1.969 -6.706 1.00 0.00 H new ATOM 0 HG SER A 20 -8.210 1.147 -9.379 1.00 0.00 H new ATOM 234 N ARG A 21 -12.267 2.728 -7.937 1.00 0.00 N ATOM 235 CA ARG A 21 -13.314 3.598 -7.414 1.00 0.00 C ATOM 236 C ARG A 21 -12.738 4.611 -6.430 1.00 0.00 C ATOM 237 O ARG A 21 -13.277 4.810 -5.340 1.00 0.00 O ATOM 238 CB ARG A 21 -14.402 2.767 -6.730 1.00 0.00 C ATOM 239 CG ARG A 21 -15.465 2.251 -7.685 1.00 0.00 C ATOM 240 CD ARG A 21 -16.821 2.146 -7.005 1.00 0.00 C ATOM 241 NE ARG A 21 -17.601 3.372 -7.147 1.00 0.00 N ATOM 242 CZ ARG A 21 -18.719 3.615 -6.472 1.00 0.00 C ATOM 243 NH1 ARG A 21 -19.185 2.720 -5.612 1.00 0.00 N ATOM 244 NH2 ARG A 21 -19.373 4.755 -6.656 1.00 0.00 N ATOM 0 H ARG A 21 -12.172 2.745 -8.952 1.00 0.00 H new ATOM 0 HA ARG A 21 -13.753 4.141 -8.251 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.937 1.920 -6.225 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -14.880 3.373 -5.961 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -15.538 2.918 -8.544 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -15.170 1.273 -8.065 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -17.377 1.311 -7.432 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -16.680 1.927 -5.947 1.00 0.00 H new ATOM 0 HE ARG A 21 -17.269 4.081 -7.801 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -18.685 1.843 -5.468 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -20.044 2.909 -5.095 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -19.017 5.446 -7.317 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -20.231 4.940 -6.137 1.00 0.00 H new ATOM 258 N LEU A 22 -11.641 5.250 -6.821 1.00 0.00 N ATOM 259 CA LEU A 22 -10.991 6.243 -5.973 1.00 0.00 C ATOM 260 C LEU A 22 -10.246 7.274 -6.815 1.00 0.00 C ATOM 261 O LEU A 22 -9.798 6.996 -7.928 1.00 0.00 O ATOM 262 CB LEU A 22 -10.021 5.561 -5.006 1.00 0.00 C ATOM 263 CG LEU A 22 -8.716 5.048 -5.615 1.00 0.00 C ATOM 264 CD1 LEU A 22 -7.766 6.202 -5.892 1.00 0.00 C ATOM 265 CD2 LEU A 22 -8.064 4.027 -4.694 1.00 0.00 C ATOM 0 H LEU A 22 -11.183 5.098 -7.720 1.00 0.00 H new ATOM 0 HA LEU A 22 -11.763 6.757 -5.401 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.775 6.266 -4.212 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.535 4.721 -4.539 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.946 4.560 -6.562 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.843 5.817 -6.325 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.232 6.897 -6.590 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.541 6.720 -4.960 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.136 3.672 -5.143 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.847 4.491 -3.732 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.741 3.185 -4.547 1.00 0.00 H new ATOM 277 N PRO A 23 -10.107 8.493 -6.273 1.00 0.00 N ATOM 278 CA PRO A 23 -9.415 9.589 -6.956 1.00 0.00 C ATOM 279 C PRO A 23 -7.911 9.354 -7.052 1.00 0.00 C ATOM 280 O PRO A 23 -7.262 9.010 -6.064 1.00 0.00 O ATOM 281 CB PRO A 23 -9.710 10.802 -6.070 1.00 0.00 C ATOM 282 CG PRO A 23 -9.967 10.231 -4.718 1.00 0.00 C ATOM 283 CD PRO A 23 -10.616 8.895 -4.950 1.00 0.00 C ATOM 0 HA PRO A 23 -9.752 9.704 -7.986 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -8.868 11.494 -6.054 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.573 11.358 -6.435 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -9.039 10.122 -4.157 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -10.616 10.884 -4.135 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -10.342 8.176 -4.178 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.703 8.970 -4.944 1.00 0.00 H new ATOM 291 N HIS A 24 -7.363 9.542 -8.249 1.00 0.00 N ATOM 292 CA HIS A 24 -5.934 9.351 -8.474 1.00 0.00 C ATOM 293 C HIS A 24 -5.152 10.603 -8.091 1.00 0.00 C ATOM 294 O HIS A 24 -3.964 10.533 -7.776 1.00 0.00 O ATOM 295 CB HIS A 24 -5.670 8.998 -9.938 1.00 0.00 C ATOM 296 CG HIS A 24 -5.752 10.173 -10.862 1.00 0.00 C ATOM 297 ND1 HIS A 24 -6.944 10.759 -11.231 1.00 0.00 N ATOM 298 CD2 HIS A 24 -4.779 10.874 -11.491 1.00 0.00 C ATOM 299 CE1 HIS A 24 -6.702 11.768 -12.049 1.00 0.00 C ATOM 300 NE2 HIS A 24 -5.396 11.860 -12.222 1.00 0.00 N ATOM 0 H HIS A 24 -7.886 9.826 -9.077 1.00 0.00 H new ATOM 0 HA HIS A 24 -5.598 8.528 -7.843 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -4.680 8.549 -10.022 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -6.390 8.245 -10.257 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.716 10.692 -11.429 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -7.446 12.409 -12.500 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -4.922 12.551 -12.804 1.00 0.00 H new ATOM 309 N ASP A 25 -5.825 11.748 -8.122 1.00 0.00 N ATOM 310 CA ASP A 25 -5.193 13.016 -7.778 1.00 0.00 C ATOM 311 C ASP A 25 -5.054 13.162 -6.266 1.00 0.00 C ATOM 312 O ASP A 25 -4.114 13.788 -5.777 1.00 0.00 O ATOM 313 CB ASP A 25 -6.004 14.184 -8.342 1.00 0.00 C ATOM 314 CG ASP A 25 -5.359 15.527 -8.060 1.00 0.00 C ATOM 315 OD1 ASP A 25 -4.279 15.796 -8.626 1.00 0.00 O ATOM 316 OD2 ASP A 25 -5.933 16.308 -7.273 1.00 0.00 O ATOM 0 H ASP A 25 -6.808 11.824 -8.382 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.196 13.028 -8.220 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.117 14.058 -9.419 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.006 14.168 -7.912 1.00 0.00 H new ATOM 321 N ARG A 26 -5.995 12.579 -5.531 1.00 0.00 N ATOM 322 CA ARG A 26 -5.979 12.646 -4.075 1.00 0.00 C ATOM 323 C ARG A 26 -6.095 11.252 -3.466 1.00 0.00 C ATOM 324 O ARG A 26 -6.384 10.281 -4.164 1.00 0.00 O ATOM 325 CB ARG A 26 -7.120 13.531 -3.570 1.00 0.00 C ATOM 326 CG ARG A 26 -8.485 13.127 -4.102 1.00 0.00 C ATOM 327 CD ARG A 26 -9.606 13.809 -3.334 1.00 0.00 C ATOM 328 NE ARG A 26 -10.920 13.496 -3.890 1.00 0.00 N ATOM 329 CZ ARG A 26 -11.429 14.099 -4.958 1.00 0.00 C ATOM 330 NH1 ARG A 26 -10.738 15.042 -5.583 1.00 0.00 N ATOM 331 NH2 ARG A 26 -12.631 13.758 -5.404 1.00 0.00 N ATOM 0 H ARG A 26 -6.779 12.055 -5.920 1.00 0.00 H new ATOM 0 HA ARG A 26 -5.028 13.081 -3.767 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -7.140 13.498 -2.481 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.920 14.564 -3.854 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.556 13.386 -5.158 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.599 12.045 -4.031 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -9.571 13.499 -2.290 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -9.453 14.888 -3.351 1.00 0.00 H new ATOM 0 HE ARG A 26 -11.477 12.774 -3.433 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -9.813 15.306 -5.244 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -11.131 15.504 -6.403 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -13.165 13.032 -4.926 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -13.021 14.222 -6.224 1.00 0.00 H new ATOM 345 N MET A 27 -5.866 11.161 -2.159 1.00 0.00 N ATOM 346 CA MET A 27 -5.946 9.886 -1.456 1.00 0.00 C ATOM 347 C MET A 27 -7.249 9.779 -0.671 1.00 0.00 C ATOM 348 O MET A 27 -7.871 10.789 -0.338 1.00 0.00 O ATOM 349 CB MET A 27 -4.753 9.725 -0.512 1.00 0.00 C ATOM 350 CG MET A 27 -3.408 9.904 -1.197 1.00 0.00 C ATOM 351 SD MET A 27 -2.107 10.404 -0.052 1.00 0.00 S ATOM 352 CE MET A 27 -1.963 8.933 0.959 1.00 0.00 C ATOM 0 H MET A 27 -5.624 11.955 -1.566 1.00 0.00 H new ATOM 0 HA MET A 27 -5.923 9.088 -2.198 1.00 0.00 H new ATOM 0 HB2 MET A 27 -4.839 10.451 0.296 1.00 0.00 H new ATOM 0 HB3 MET A 27 -4.791 8.735 -0.057 1.00 0.00 H new ATOM 0 HG2 MET A 27 -3.123 8.969 -1.679 1.00 0.00 H new ATOM 0 HG3 MET A 27 -3.502 10.653 -1.984 1.00 0.00 H new ATOM 0 HE1 MET A 27 -1.435 9.176 1.881 1.00 0.00 H new ATOM 0 HE2 MET A 27 -2.958 8.557 1.199 1.00 0.00 H new ATOM 0 HE3 MET A 27 -1.409 8.169 0.413 1.00 0.00 H new ATOM 362 N THR A 28 -7.658 8.549 -0.377 1.00 0.00 N ATOM 363 CA THR A 28 -8.888 8.310 0.368 1.00 0.00 C ATOM 364 C THR A 28 -8.608 8.169 1.860 1.00 0.00 C ATOM 365 O THR A 28 -7.453 8.126 2.284 1.00 0.00 O ATOM 366 CB THR A 28 -9.609 7.043 -0.129 1.00 0.00 C ATOM 367 OG1 THR A 28 -8.686 5.952 -0.206 1.00 0.00 O ATOM 368 CG2 THR A 28 -10.238 7.279 -1.494 1.00 0.00 C ATOM 0 H THR A 28 -7.155 7.702 -0.644 1.00 0.00 H new ATOM 0 HA THR A 28 -9.531 9.174 0.201 1.00 0.00 H new ATOM 0 HB THR A 28 -10.399 6.800 0.581 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.153 5.150 -0.521 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.741 6.371 -1.825 1.00 0.00 H new ATOM 0 HG22 THR A 28 -10.962 8.091 -1.425 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.462 7.545 -2.211 1.00 0.00 H new ATOM 376 N SER A 29 -9.673 8.097 2.653 1.00 0.00 N ATOM 377 CA SER A 29 -9.542 7.964 4.099 1.00 0.00 C ATOM 378 C SER A 29 -8.619 6.803 4.456 1.00 0.00 C ATOM 379 O SER A 29 -7.851 6.879 5.415 1.00 0.00 O ATOM 380 CB SER A 29 -10.915 7.754 4.740 1.00 0.00 C ATOM 381 OG SER A 29 -11.738 8.895 4.567 1.00 0.00 O ATOM 0 H SER A 29 -10.636 8.129 2.318 1.00 0.00 H new ATOM 0 HA SER A 29 -9.106 8.885 4.486 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.398 6.883 4.297 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.796 7.546 5.803 1.00 0.00 H new ATOM 0 HG SER A 29 -12.610 8.735 4.984 1.00 0.00 H new ATOM 387 N GLN A 30 -8.700 5.729 3.676 1.00 0.00 N ATOM 388 CA GLN A 30 -7.872 4.552 3.910 1.00 0.00 C ATOM 389 C GLN A 30 -6.415 4.831 3.557 1.00 0.00 C ATOM 390 O GLN A 30 -5.526 4.686 4.394 1.00 0.00 O ATOM 391 CB GLN A 30 -8.390 3.368 3.092 1.00 0.00 C ATOM 392 CG GLN A 30 -9.468 2.563 3.800 1.00 0.00 C ATOM 393 CD GLN A 30 -10.853 3.147 3.608 1.00 0.00 C ATOM 394 OE1 GLN A 30 -11.509 3.548 4.570 1.00 0.00 O ATOM 395 NE2 GLN A 30 -11.307 3.198 2.361 1.00 0.00 N ATOM 0 H GLN A 30 -9.330 5.650 2.878 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.928 4.305 4.970 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.786 3.737 2.146 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.555 2.710 2.853 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -9.455 1.539 3.427 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -9.241 2.518 4.865 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -10.730 2.854 1.594 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -12.233 3.581 2.171 1.00 0.00 H new ATOM 404 N GLU A 31 -6.180 5.232 2.311 1.00 0.00 N ATOM 405 CA GLU A 31 -4.830 5.530 1.848 1.00 0.00 C ATOM 406 C GLU A 31 -4.151 6.543 2.766 1.00 0.00 C ATOM 407 O GLU A 31 -2.970 6.413 3.084 1.00 0.00 O ATOM 408 CB GLU A 31 -4.866 6.067 0.416 1.00 0.00 C ATOM 409 CG GLU A 31 -5.348 5.049 -0.604 1.00 0.00 C ATOM 410 CD GLU A 31 -4.224 4.186 -1.143 1.00 0.00 C ATOM 411 OE1 GLU A 31 -3.755 3.294 -0.407 1.00 0.00 O ATOM 412 OE2 GLU A 31 -3.815 4.403 -2.303 1.00 0.00 O ATOM 0 H GLU A 31 -6.906 5.358 1.606 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.254 4.605 1.868 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.517 6.940 0.381 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.867 6.403 0.138 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.103 4.411 -0.146 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.830 5.570 -1.431 1.00 0.00 H new ATOM 419 N ALA A 32 -4.907 7.552 3.186 1.00 0.00 N ATOM 420 CA ALA A 32 -4.380 8.586 4.068 1.00 0.00 C ATOM 421 C ALA A 32 -4.000 8.007 5.427 1.00 0.00 C ATOM 422 O ALA A 32 -2.981 8.379 6.007 1.00 0.00 O ATOM 423 CB ALA A 32 -5.396 9.706 4.235 1.00 0.00 C ATOM 0 H ALA A 32 -5.887 7.675 2.930 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.478 8.994 3.611 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.989 10.471 4.896 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.615 10.146 3.262 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.313 9.304 4.666 1.00 0.00 H new ATOM 429 N ALA A 33 -4.827 7.096 5.929 1.00 0.00 N ATOM 430 CA ALA A 33 -4.577 6.466 7.219 1.00 0.00 C ATOM 431 C ALA A 33 -3.377 5.527 7.148 1.00 0.00 C ATOM 432 O ALA A 33 -2.582 5.448 8.085 1.00 0.00 O ATOM 433 CB ALA A 33 -5.812 5.711 7.687 1.00 0.00 C ATOM 0 H ALA A 33 -5.676 6.778 5.462 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.350 7.251 7.940 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.610 5.246 8.652 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.647 6.405 7.786 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.065 4.941 6.959 1.00 0.00 H new ATOM 439 N CYS A 34 -3.253 4.817 6.032 1.00 0.00 N ATOM 440 CA CYS A 34 -2.150 3.882 5.839 1.00 0.00 C ATOM 441 C CYS A 34 -0.837 4.627 5.619 1.00 0.00 C ATOM 442 O CYS A 34 0.196 4.264 6.180 1.00 0.00 O ATOM 443 CB CYS A 34 -2.435 2.964 4.650 1.00 0.00 C ATOM 444 SG CYS A 34 -1.685 1.324 4.787 1.00 0.00 S ATOM 0 H CYS A 34 -3.902 4.871 5.247 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.056 3.278 6.741 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -3.514 2.851 4.543 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -2.073 3.443 3.740 1.00 0.00 H new ATOM 0 HG CYS A 34 -1.984 0.621 3.735 1.00 0.00 H new ATOM 450 N PHE A 35 -0.886 5.670 4.798 1.00 0.00 N ATOM 451 CA PHE A 35 0.300 6.465 4.501 1.00 0.00 C ATOM 452 C PHE A 35 0.122 7.905 4.974 1.00 0.00 C ATOM 453 O PHE A 35 -0.290 8.787 4.220 1.00 0.00 O ATOM 454 CB PHE A 35 0.592 6.443 2.999 1.00 0.00 C ATOM 455 CG PHE A 35 0.649 5.058 2.420 1.00 0.00 C ATOM 456 CD1 PHE A 35 -0.515 4.350 2.168 1.00 0.00 C ATOM 457 CD2 PHE A 35 1.866 4.465 2.127 1.00 0.00 C ATOM 458 CE1 PHE A 35 -0.466 3.076 1.636 1.00 0.00 C ATOM 459 CE2 PHE A 35 1.922 3.191 1.594 1.00 0.00 C ATOM 460 CZ PHE A 35 0.754 2.496 1.348 1.00 0.00 C ATOM 0 H PHE A 35 -1.734 5.985 4.326 1.00 0.00 H new ATOM 0 HA PHE A 35 1.143 6.027 5.035 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.177 7.014 2.479 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.542 6.945 2.814 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.472 4.799 2.390 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.782 5.005 2.317 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.381 2.534 1.446 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.877 2.740 1.370 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.795 1.501 0.931 1.00 0.00 H new ATOM 470 N PRO A 36 0.439 8.150 6.254 1.00 0.00 N ATOM 471 CA PRO A 36 0.323 9.481 6.858 1.00 0.00 C ATOM 472 C PRO A 36 1.359 10.457 6.312 1.00 0.00 C ATOM 473 O PRO A 36 1.075 11.642 6.135 1.00 0.00 O ATOM 474 CB PRO A 36 0.568 9.217 8.346 1.00 0.00 C ATOM 475 CG PRO A 36 1.389 7.975 8.381 1.00 0.00 C ATOM 476 CD PRO A 36 0.937 7.147 7.211 1.00 0.00 C ATOM 0 HA PRO A 36 -0.641 9.943 6.646 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.091 10.050 8.815 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -0.371 9.086 8.885 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.451 8.207 8.307 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.244 7.438 9.318 1.00 0.00 H new ATOM 0 HD2 PRO A 36 1.757 6.564 6.791 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.157 6.441 7.496 1.00 0.00 H new ATOM 484 N ASP A 37 2.559 9.953 6.048 1.00 0.00 N ATOM 485 CA ASP A 37 3.637 10.782 5.521 1.00 0.00 C ATOM 486 C ASP A 37 3.315 11.258 4.108 1.00 0.00 C ATOM 487 O ASP A 37 3.791 12.307 3.672 1.00 0.00 O ATOM 488 CB ASP A 37 4.954 10.004 5.522 1.00 0.00 C ATOM 489 CG ASP A 37 5.273 9.408 6.879 1.00 0.00 C ATOM 490 OD1 ASP A 37 4.705 8.346 7.209 1.00 0.00 O ATOM 491 OD2 ASP A 37 6.092 10.003 7.610 1.00 0.00 O ATOM 0 H ASP A 37 2.810 8.975 6.190 1.00 0.00 H new ATOM 0 HA ASP A 37 3.739 11.655 6.165 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.902 9.206 4.781 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.765 10.667 5.220 1.00 0.00 H new ATOM 496 N ILE A 38 2.504 10.481 3.397 1.00 0.00 N ATOM 497 CA ILE A 38 2.119 10.824 2.034 1.00 0.00 C ATOM 498 C ILE A 38 0.994 11.854 2.024 1.00 0.00 C ATOM 499 O ILE A 38 1.090 12.886 1.359 1.00 0.00 O ATOM 500 CB ILE A 38 1.668 9.580 1.246 1.00 0.00 C ATOM 501 CG1 ILE A 38 2.781 8.531 1.227 1.00 0.00 C ATOM 502 CG2 ILE A 38 1.271 9.965 -0.171 1.00 0.00 C ATOM 503 CD1 ILE A 38 3.982 8.938 0.402 1.00 0.00 C ATOM 0 H ILE A 38 2.101 9.610 3.743 1.00 0.00 H new ATOM 0 HA ILE A 38 3.001 11.248 1.554 1.00 0.00 H new ATOM 0 HB ILE A 38 0.797 9.150 1.742 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.103 8.336 2.250 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.381 7.596 0.835 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.955 9.075 -0.715 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.449 10.680 -0.137 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.124 10.416 -0.678 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.731 8.146 0.434 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.675 9.105 -0.630 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.407 9.856 0.807 1.00 0.00 H new ATOM 515 N ILE A 39 -0.070 11.567 2.765 1.00 0.00 N ATOM 516 CA ILE A 39 -1.212 12.470 2.843 1.00 0.00 C ATOM 517 C ILE A 39 -0.825 13.790 3.501 1.00 0.00 C ATOM 518 O ILE A 39 -1.432 14.828 3.238 1.00 0.00 O ATOM 519 CB ILE A 39 -2.376 11.839 3.631 1.00 0.00 C ATOM 520 CG1 ILE A 39 -3.596 12.762 3.608 1.00 0.00 C ATOM 521 CG2 ILE A 39 -1.951 11.549 5.063 1.00 0.00 C ATOM 522 CD1 ILE A 39 -4.259 12.852 2.251 1.00 0.00 C ATOM 0 H ILE A 39 -0.166 10.717 3.320 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.536 12.658 1.819 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.648 10.897 3.156 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.325 12.406 4.337 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.292 13.761 3.922 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.784 11.104 5.607 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.109 10.857 5.060 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.655 12.478 5.550 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.116 13.523 2.309 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.545 13.236 1.522 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.594 11.861 1.943 1.00 0.00 H new ATOM 534 N SER A 40 0.191 13.743 4.357 1.00 0.00 N ATOM 535 CA SER A 40 0.659 14.935 5.054 1.00 0.00 C ATOM 536 C SER A 40 1.947 15.461 4.428 1.00 0.00 C ATOM 537 O SER A 40 2.757 16.105 5.093 1.00 0.00 O ATOM 538 CB SER A 40 0.887 14.629 6.535 1.00 0.00 C ATOM 539 OG SER A 40 -0.281 14.090 7.130 1.00 0.00 O ATOM 0 H SER A 40 0.706 12.892 4.584 1.00 0.00 H new ATOM 0 HA SER A 40 -0.109 15.703 4.963 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.712 13.924 6.641 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.178 15.540 7.057 1.00 0.00 H new ATOM 0 HG SER A 40 -0.256 13.112 7.073 1.00 0.00 H new ATOM 545 N GLY A 41 2.130 15.180 3.141 1.00 0.00 N ATOM 546 CA GLY A 41 3.321 15.631 2.445 1.00 0.00 C ATOM 547 C GLY A 41 3.003 16.583 1.309 1.00 0.00 C ATOM 548 O GLY A 41 1.850 16.949 1.082 1.00 0.00 O ATOM 0 H GLY A 41 1.475 14.648 2.568 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.987 16.125 3.153 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.857 14.767 2.052 1.00 0.00 H new ATOM 552 N PRO A 42 4.044 17.000 0.573 1.00 0.00 N ATOM 553 CA PRO A 42 3.895 17.922 -0.557 1.00 0.00 C ATOM 554 C PRO A 42 3.190 17.275 -1.744 1.00 0.00 C ATOM 555 O PRO A 42 3.310 16.071 -1.967 1.00 0.00 O ATOM 556 CB PRO A 42 5.340 18.274 -0.920 1.00 0.00 C ATOM 557 CG PRO A 42 6.144 17.114 -0.444 1.00 0.00 C ATOM 558 CD PRO A 42 5.446 16.604 0.787 1.00 0.00 C ATOM 0 HA PRO A 42 3.283 18.786 -0.300 1.00 0.00 H new ATOM 0 HB2 PRO A 42 5.454 18.420 -1.994 1.00 0.00 H new ATOM 0 HB3 PRO A 42 5.655 19.199 -0.437 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.202 16.339 -1.209 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.167 17.415 -0.216 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.547 15.523 0.888 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.855 17.049 1.694 1.00 0.00 H new ATOM 566 N GLN A 43 2.455 18.083 -2.502 1.00 0.00 N ATOM 567 CA GLN A 43 1.730 17.587 -3.666 1.00 0.00 C ATOM 568 C GLN A 43 2.543 16.527 -4.402 1.00 0.00 C ATOM 569 O GLN A 43 2.044 15.439 -4.689 1.00 0.00 O ATOM 570 CB GLN A 43 1.397 18.740 -4.614 1.00 0.00 C ATOM 571 CG GLN A 43 0.136 18.511 -5.431 1.00 0.00 C ATOM 572 CD GLN A 43 -0.045 19.542 -6.527 1.00 0.00 C ATOM 573 OE1 GLN A 43 -0.976 20.347 -6.491 1.00 0.00 O ATOM 574 NE2 GLN A 43 0.846 19.524 -7.511 1.00 0.00 N ATOM 0 H GLN A 43 2.346 19.083 -2.331 1.00 0.00 H new ATOM 0 HA GLN A 43 0.803 17.132 -3.319 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.282 19.655 -4.033 1.00 0.00 H new ATOM 0 HB3 GLN A 43 2.236 18.896 -5.292 1.00 0.00 H new ATOM 0 HG2 GLN A 43 0.171 17.516 -5.875 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.730 18.534 -4.769 1.00 0.00 H new ATOM 0 HE21 GLN A 43 1.602 18.840 -7.502 1.00 0.00 H new ATOM 0 HE22 GLN A 43 0.774 20.195 -8.276 1.00 0.00 H new ATOM 583 N GLN A 44 3.796 16.852 -4.704 1.00 0.00 N ATOM 584 CA GLN A 44 4.676 15.927 -5.408 1.00 0.00 C ATOM 585 C GLN A 44 4.653 14.549 -4.754 1.00 0.00 C ATOM 586 O GLN A 44 4.346 13.547 -5.401 1.00 0.00 O ATOM 587 CB GLN A 44 6.106 16.469 -5.432 1.00 0.00 C ATOM 588 CG GLN A 44 7.030 15.708 -6.369 1.00 0.00 C ATOM 589 CD GLN A 44 8.491 15.849 -5.990 1.00 0.00 C ATOM 590 OE1 GLN A 44 8.826 16.021 -4.818 1.00 0.00 O ATOM 591 NE2 GLN A 44 9.370 15.777 -6.983 1.00 0.00 N ATOM 0 H GLN A 44 4.224 17.748 -4.472 1.00 0.00 H new ATOM 0 HA GLN A 44 4.315 15.829 -6.432 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.083 17.517 -5.730 1.00 0.00 H new ATOM 0 HB3 GLN A 44 6.516 16.433 -4.423 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.758 14.653 -6.364 1.00 0.00 H new ATOM 0 HG3 GLN A 44 6.886 16.069 -7.387 1.00 0.00 H new ATOM 0 HE21 GLN A 44 9.048 15.633 -7.940 1.00 0.00 H new ATOM 0 HE22 GLN A 44 10.367 15.865 -6.789 1.00 0.00 H new ATOM 600 N THR A 45 4.980 14.506 -3.466 1.00 0.00 N ATOM 601 CA THR A 45 4.999 13.251 -2.724 1.00 0.00 C ATOM 602 C THR A 45 3.698 12.480 -2.915 1.00 0.00 C ATOM 603 O THR A 45 3.706 11.331 -3.356 1.00 0.00 O ATOM 604 CB THR A 45 5.224 13.492 -1.220 1.00 0.00 C ATOM 605 OG1 THR A 45 6.492 14.122 -1.008 1.00 0.00 O ATOM 606 CG2 THR A 45 5.168 12.182 -0.448 1.00 0.00 C ATOM 0 H THR A 45 5.235 15.326 -2.915 1.00 0.00 H new ATOM 0 HA THR A 45 5.828 12.663 -3.118 1.00 0.00 H new ATOM 0 HB THR A 45 4.430 14.144 -0.857 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.772 13.989 -0.078 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.330 12.377 0.612 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.191 11.719 -0.587 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.943 11.510 -0.815 1.00 0.00 H new ATOM 614 N GLN A 46 2.582 13.120 -2.582 1.00 0.00 N ATOM 615 CA GLN A 46 1.272 12.493 -2.717 1.00 0.00 C ATOM 616 C GLN A 46 1.126 11.828 -4.082 1.00 0.00 C ATOM 617 O GLN A 46 0.766 10.654 -4.177 1.00 0.00 O ATOM 618 CB GLN A 46 0.164 13.529 -2.520 1.00 0.00 C ATOM 619 CG GLN A 46 0.014 13.993 -1.081 1.00 0.00 C ATOM 620 CD GLN A 46 -1.099 15.007 -0.907 1.00 0.00 C ATOM 621 OE1 GLN A 46 -1.688 15.473 -1.884 1.00 0.00 O ATOM 622 NE2 GLN A 46 -1.394 15.356 0.339 1.00 0.00 N ATOM 0 H GLN A 46 2.558 14.072 -2.217 1.00 0.00 H new ATOM 0 HA GLN A 46 1.183 11.726 -1.948 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.369 14.393 -3.152 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.782 13.105 -2.857 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -0.183 13.131 -0.444 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.954 14.430 -0.744 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.881 14.945 1.119 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.134 16.035 0.517 1.00 0.00 H new ATOM 631 N LYS A 47 1.407 12.585 -5.137 1.00 0.00 N ATOM 632 CA LYS A 47 1.308 12.070 -6.497 1.00 0.00 C ATOM 633 C LYS A 47 2.225 10.867 -6.692 1.00 0.00 C ATOM 634 O LYS A 47 1.802 9.826 -7.194 1.00 0.00 O ATOM 635 CB LYS A 47 1.664 13.164 -7.506 1.00 0.00 C ATOM 636 CG LYS A 47 0.763 14.384 -7.423 1.00 0.00 C ATOM 637 CD LYS A 47 1.469 15.634 -7.921 1.00 0.00 C ATOM 638 CE LYS A 47 1.697 15.585 -9.423 1.00 0.00 C ATOM 639 NZ LYS A 47 0.488 16.010 -10.182 1.00 0.00 N ATOM 0 H LYS A 47 1.705 13.558 -5.076 1.00 0.00 H new ATOM 0 HA LYS A 47 0.279 11.751 -6.663 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.697 13.474 -7.344 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.609 12.750 -8.513 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.137 14.214 -8.014 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.444 14.532 -6.391 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.875 16.513 -7.671 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.426 15.740 -7.410 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.535 16.231 -9.684 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.972 14.572 -9.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.684 15.963 -11.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.306 15.379 -9.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.240 16.986 -9.922 1.00 0.00 H new ATOM 653 N VAL A 48 3.483 11.016 -6.289 1.00 0.00 N ATOM 654 CA VAL A 48 4.460 9.941 -6.416 1.00 0.00 C ATOM 655 C VAL A 48 3.887 8.617 -5.923 1.00 0.00 C ATOM 656 O VAL A 48 4.123 7.566 -6.519 1.00 0.00 O ATOM 657 CB VAL A 48 5.747 10.256 -5.631 1.00 0.00 C ATOM 658 CG1 VAL A 48 6.767 9.142 -5.810 1.00 0.00 C ATOM 659 CG2 VAL A 48 6.323 11.594 -6.068 1.00 0.00 C ATOM 0 H VAL A 48 3.850 11.871 -5.872 1.00 0.00 H new ATOM 0 HA VAL A 48 4.702 9.857 -7.475 1.00 0.00 H new ATOM 0 HB VAL A 48 5.500 10.322 -4.572 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.670 9.382 -5.248 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.350 8.204 -5.443 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.013 9.041 -6.867 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.232 11.801 -5.503 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.557 11.559 -7.132 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.593 12.382 -5.882 1.00 0.00 H new ATOM 669 N PHE A 49 3.133 8.676 -4.830 1.00 0.00 N ATOM 670 CA PHE A 49 2.527 7.481 -4.255 1.00 0.00 C ATOM 671 C PHE A 49 1.246 7.110 -4.998 1.00 0.00 C ATOM 672 O PHE A 49 0.968 5.933 -5.230 1.00 0.00 O ATOM 673 CB PHE A 49 2.224 7.700 -2.771 1.00 0.00 C ATOM 674 CG PHE A 49 1.046 6.910 -2.276 1.00 0.00 C ATOM 675 CD1 PHE A 49 -0.245 7.282 -2.611 1.00 0.00 C ATOM 676 CD2 PHE A 49 1.232 5.794 -1.477 1.00 0.00 C ATOM 677 CE1 PHE A 49 -1.331 6.557 -2.157 1.00 0.00 C ATOM 678 CE2 PHE A 49 0.151 5.064 -1.021 1.00 0.00 C ATOM 679 CZ PHE A 49 -1.132 5.446 -1.360 1.00 0.00 C ATOM 0 H PHE A 49 2.927 9.538 -4.325 1.00 0.00 H new ATOM 0 HA PHE A 49 3.236 6.660 -4.356 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.103 7.431 -2.185 1.00 0.00 H new ATOM 0 HB3 PHE A 49 2.038 8.760 -2.599 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.405 8.149 -3.235 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.233 5.491 -1.207 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.333 6.858 -2.425 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.309 4.195 -0.400 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.978 4.878 -1.003 1.00 0.00 H new ATOM 689 N LEU A 50 0.469 8.122 -5.367 1.00 0.00 N ATOM 690 CA LEU A 50 -0.783 7.904 -6.083 1.00 0.00 C ATOM 691 C LEU A 50 -0.524 7.307 -7.463 1.00 0.00 C ATOM 692 O LEU A 50 -1.444 6.829 -8.126 1.00 0.00 O ATOM 693 CB LEU A 50 -1.551 9.220 -6.220 1.00 0.00 C ATOM 694 CG LEU A 50 -2.522 9.552 -5.087 1.00 0.00 C ATOM 695 CD1 LEU A 50 -2.909 11.022 -5.128 1.00 0.00 C ATOM 696 CD2 LEU A 50 -3.759 8.670 -5.170 1.00 0.00 C ATOM 0 H LEU A 50 0.684 9.102 -5.182 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.383 7.198 -5.509 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.829 10.032 -6.302 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.110 9.195 -7.155 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.023 9.356 -4.138 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.601 11.239 -4.314 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.015 11.637 -5.019 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.389 11.246 -6.081 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.439 8.920 -4.356 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.259 8.834 -6.124 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.466 7.623 -5.089 1.00 0.00 H new ATOM 708 N PHE A 51 0.735 7.337 -7.888 1.00 0.00 N ATOM 709 CA PHE A 51 1.115 6.797 -9.188 1.00 0.00 C ATOM 710 C PHE A 51 1.611 5.360 -9.057 1.00 0.00 C ATOM 711 O PHE A 51 1.248 4.492 -9.851 1.00 0.00 O ATOM 712 CB PHE A 51 2.200 7.667 -9.827 1.00 0.00 C ATOM 713 CG PHE A 51 2.770 7.084 -11.089 1.00 0.00 C ATOM 714 CD1 PHE A 51 3.589 5.967 -11.043 1.00 0.00 C ATOM 715 CD2 PHE A 51 2.488 7.653 -12.320 1.00 0.00 C ATOM 716 CE1 PHE A 51 4.115 5.427 -12.202 1.00 0.00 C ATOM 717 CE2 PHE A 51 3.010 7.118 -13.482 1.00 0.00 C ATOM 718 CZ PHE A 51 3.826 6.004 -13.423 1.00 0.00 C ATOM 0 H PHE A 51 1.509 7.729 -7.351 1.00 0.00 H new ATOM 0 HA PHE A 51 0.232 6.800 -9.827 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.784 8.650 -10.046 1.00 0.00 H new ATOM 0 HB3 PHE A 51 3.006 7.815 -9.108 1.00 0.00 H new ATOM 0 HD1 PHE A 51 3.819 5.513 -10.090 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.853 8.525 -12.372 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.751 4.555 -12.153 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.781 7.570 -14.436 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.237 5.586 -14.330 1.00 0.00 H new ATOM 728 N ILE A 52 2.444 5.118 -8.050 1.00 0.00 N ATOM 729 CA ILE A 52 2.990 3.787 -7.814 1.00 0.00 C ATOM 730 C ILE A 52 1.877 2.757 -7.655 1.00 0.00 C ATOM 731 O ILE A 52 1.995 1.624 -8.122 1.00 0.00 O ATOM 732 CB ILE A 52 3.883 3.759 -6.560 1.00 0.00 C ATOM 733 CG1 ILE A 52 5.114 4.644 -6.764 1.00 0.00 C ATOM 734 CG2 ILE A 52 4.297 2.332 -6.237 1.00 0.00 C ATOM 735 CD1 ILE A 52 5.672 5.210 -5.477 1.00 0.00 C ATOM 0 H ILE A 52 2.755 5.826 -7.385 1.00 0.00 H new ATOM 0 HA ILE A 52 3.594 3.534 -8.686 1.00 0.00 H new ATOM 0 HB ILE A 52 3.313 4.151 -5.717 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.890 4.063 -7.263 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.854 5.466 -7.430 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.928 2.329 -5.348 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.408 1.728 -6.054 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.852 1.915 -7.077 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.543 5.827 -5.698 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.912 5.818 -4.987 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.964 4.393 -4.817 1.00 0.00 H new ATOM 747 N ARG A 53 0.796 3.159 -6.995 1.00 0.00 N ATOM 748 CA ARG A 53 -0.339 2.271 -6.775 1.00 0.00 C ATOM 749 C ARG A 53 -1.046 1.956 -8.090 1.00 0.00 C ATOM 750 O ARG A 53 -1.335 0.798 -8.389 1.00 0.00 O ATOM 751 CB ARG A 53 -1.326 2.903 -5.792 1.00 0.00 C ATOM 752 CG ARG A 53 -2.754 2.409 -5.959 1.00 0.00 C ATOM 753 CD ARG A 53 -3.724 3.211 -5.106 1.00 0.00 C ATOM 754 NE ARG A 53 -5.046 3.301 -5.720 1.00 0.00 N ATOM 755 CZ ARG A 53 -5.347 4.146 -6.699 1.00 0.00 C ATOM 756 NH1 ARG A 53 -4.423 4.971 -7.174 1.00 0.00 N ATOM 757 NH2 ARG A 53 -6.573 4.168 -7.206 1.00 0.00 N ATOM 0 H ARG A 53 0.682 4.094 -6.603 1.00 0.00 H new ATOM 0 HA ARG A 53 0.038 1.340 -6.352 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.995 2.695 -4.774 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.308 3.986 -5.918 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.045 2.480 -7.007 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.810 1.356 -5.684 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.811 2.748 -4.123 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.327 4.214 -4.951 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.779 2.680 -5.378 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.479 4.957 -6.787 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.656 5.619 -7.926 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -7.286 3.535 -6.844 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.802 4.818 -7.958 1.00 0.00 H new ATOM 771 N ASN A 54 -1.322 2.995 -8.871 1.00 0.00 N ATOM 772 CA ASN A 54 -1.996 2.830 -10.153 1.00 0.00 C ATOM 773 C ASN A 54 -1.287 1.785 -11.010 1.00 0.00 C ATOM 774 O ASN A 54 -1.892 0.799 -11.433 1.00 0.00 O ATOM 775 CB ASN A 54 -2.052 4.164 -10.900 1.00 0.00 C ATOM 776 CG ASN A 54 -3.209 5.033 -10.444 1.00 0.00 C ATOM 777 OD1 ASN A 54 -4.274 4.531 -10.086 1.00 0.00 O ATOM 778 ND2 ASN A 54 -3.002 6.345 -10.454 1.00 0.00 N ATOM 0 H ASN A 54 -1.089 3.960 -8.638 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.012 2.487 -9.959 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.116 4.701 -10.749 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.142 3.975 -11.970 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -3.742 6.980 -10.157 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -2.103 6.717 -10.759 1.00 0.00 H new ATOM 785 N ARG A 55 -0.001 2.007 -11.261 1.00 0.00 N ATOM 786 CA ARG A 55 0.790 1.086 -12.067 1.00 0.00 C ATOM 787 C ARG A 55 0.725 -0.328 -11.498 1.00 0.00 C ATOM 788 O ARG A 55 0.337 -1.271 -12.189 1.00 0.00 O ATOM 789 CB ARG A 55 2.245 1.554 -12.135 1.00 0.00 C ATOM 790 CG ARG A 55 2.528 2.501 -13.289 1.00 0.00 C ATOM 791 CD ARG A 55 2.765 1.743 -14.586 1.00 0.00 C ATOM 792 NE ARG A 55 3.650 2.471 -15.491 1.00 0.00 N ATOM 793 CZ ARG A 55 3.854 2.124 -16.757 1.00 0.00 C ATOM 794 NH1 ARG A 55 3.239 1.065 -17.265 1.00 0.00 N ATOM 795 NH2 ARG A 55 4.674 2.837 -17.518 1.00 0.00 N ATOM 0 H ARG A 55 0.515 2.817 -10.918 1.00 0.00 H new ATOM 0 HA ARG A 55 0.372 1.073 -13.074 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.502 2.049 -11.199 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.894 0.683 -12.224 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.689 3.185 -13.414 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.402 3.109 -13.056 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.198 0.768 -14.362 1.00 0.00 H new ATOM 0 HD3 ARG A 55 1.810 1.562 -15.080 1.00 0.00 H new ATOM 0 HE ARG A 55 4.138 3.291 -15.131 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.607 0.514 -16.683 1.00 0.00 H new ATOM 0 HH12 ARG A 55 3.398 0.801 -18.237 1.00 0.00 H new ATOM 0 HH21 ARG A 55 5.149 3.653 -17.131 1.00 0.00 H new ATOM 0 HH22 ARG A 55 4.830 2.569 -18.490 1.00 0.00 H new ATOM 809 N THR A 56 1.109 -0.469 -10.233 1.00 0.00 N ATOM 810 CA THR A 56 1.096 -1.768 -9.571 1.00 0.00 C ATOM 811 C THR A 56 -0.138 -2.572 -9.962 1.00 0.00 C ATOM 812 O THR A 56 -0.066 -3.788 -10.149 1.00 0.00 O ATOM 813 CB THR A 56 1.133 -1.617 -8.038 1.00 0.00 C ATOM 814 OG1 THR A 56 2.284 -0.861 -7.647 1.00 0.00 O ATOM 815 CG2 THR A 56 1.161 -2.979 -7.361 1.00 0.00 C ATOM 0 H THR A 56 1.433 0.300 -9.647 1.00 0.00 H new ATOM 0 HA THR A 56 1.990 -2.299 -9.898 1.00 0.00 H new ATOM 0 HB THR A 56 0.231 -1.091 -7.725 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.036 0.081 -7.542 1.00 0.00 H new ATOM 0 HG21 THR A 56 1.187 -2.847 -6.279 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.269 -3.541 -7.637 1.00 0.00 H new ATOM 0 HG23 THR A 56 2.048 -3.526 -7.681 1.00 0.00 H new ATOM 823 N LEU A 57 -1.270 -1.888 -10.085 1.00 0.00 N ATOM 824 CA LEU A 57 -2.522 -2.540 -10.456 1.00 0.00 C ATOM 825 C LEU A 57 -2.604 -2.743 -11.965 1.00 0.00 C ATOM 826 O LEU A 57 -3.032 -3.797 -12.436 1.00 0.00 O ATOM 827 CB LEU A 57 -3.713 -1.709 -9.976 1.00 0.00 C ATOM 828 CG LEU A 57 -4.200 -1.991 -8.554 1.00 0.00 C ATOM 829 CD1 LEU A 57 -5.208 -0.941 -8.117 1.00 0.00 C ATOM 830 CD2 LEU A 57 -4.805 -3.385 -8.465 1.00 0.00 C ATOM 0 H LEU A 57 -1.347 -0.882 -9.933 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.551 -3.518 -9.975 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.446 -0.655 -10.044 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.544 -1.872 -10.662 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.344 -1.944 -7.881 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.543 -1.158 -7.103 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.741 0.044 -8.142 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.063 -0.954 -8.792 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.146 -3.569 -7.446 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.650 -3.459 -9.150 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.053 -4.126 -8.735 1.00 0.00 H new ATOM 842 N GLN A 58 -2.188 -1.729 -12.717 1.00 0.00 N ATOM 843 CA GLN A 58 -2.213 -1.799 -14.173 1.00 0.00 C ATOM 844 C GLN A 58 -1.491 -3.046 -14.672 1.00 0.00 C ATOM 845 O GLN A 58 -2.096 -3.920 -15.294 1.00 0.00 O ATOM 846 CB GLN A 58 -1.571 -0.548 -14.776 1.00 0.00 C ATOM 847 CG GLN A 58 -2.486 0.666 -14.777 1.00 0.00 C ATOM 848 CD GLN A 58 -3.685 0.492 -15.688 1.00 0.00 C ATOM 849 OE1 GLN A 58 -4.689 -0.110 -15.305 1.00 0.00 O ATOM 850 NE2 GLN A 58 -3.587 1.020 -16.902 1.00 0.00 N ATOM 0 H GLN A 58 -1.830 -0.850 -12.342 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.254 -1.854 -14.490 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.666 -0.310 -14.218 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.267 -0.764 -15.800 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.831 0.857 -13.761 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.920 1.543 -15.091 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.736 1.511 -17.178 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -4.362 0.935 -17.559 1.00 0.00 H new ATOM 859 N LEU A 59 -0.194 -3.123 -14.395 1.00 0.00 N ATOM 860 CA LEU A 59 0.612 -4.264 -14.815 1.00 0.00 C ATOM 861 C LEU A 59 -0.035 -5.576 -14.383 1.00 0.00 C ATOM 862 O LEU A 59 0.181 -6.619 -15.001 1.00 0.00 O ATOM 863 CB LEU A 59 2.022 -4.160 -14.231 1.00 0.00 C ATOM 864 CG LEU A 59 2.764 -2.850 -14.497 1.00 0.00 C ATOM 865 CD1 LEU A 59 3.798 -2.593 -13.412 1.00 0.00 C ATOM 866 CD2 LEU A 59 3.423 -2.880 -15.868 1.00 0.00 C ATOM 0 H LEU A 59 0.322 -2.409 -13.881 1.00 0.00 H new ATOM 0 HA LEU A 59 0.675 -4.253 -15.903 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.959 -4.306 -13.153 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.620 -4.980 -14.629 1.00 0.00 H new ATOM 0 HG LEU A 59 2.041 -2.035 -14.481 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.316 -1.656 -13.618 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.301 -2.528 -12.444 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.519 -3.410 -13.395 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.947 -1.940 -16.041 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.134 -3.705 -15.912 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.661 -3.017 -16.635 1.00 0.00 H new ATOM 878 N TRP A 60 -0.830 -5.516 -13.321 1.00 0.00 N ATOM 879 CA TRP A 60 -1.510 -6.700 -12.808 1.00 0.00 C ATOM 880 C TRP A 60 -2.770 -6.996 -13.615 1.00 0.00 C ATOM 881 O TRP A 60 -3.129 -8.157 -13.820 1.00 0.00 O ATOM 882 CB TRP A 60 -1.868 -6.508 -11.333 1.00 0.00 C ATOM 883 CG TRP A 60 -3.111 -7.239 -10.924 1.00 0.00 C ATOM 884 CD1 TRP A 60 -4.375 -6.728 -10.850 1.00 0.00 C ATOM 885 CD2 TRP A 60 -3.207 -8.612 -10.530 1.00 0.00 C ATOM 886 NE1 TRP A 60 -5.252 -7.701 -10.434 1.00 0.00 N ATOM 887 CE2 TRP A 60 -4.561 -8.866 -10.232 1.00 0.00 C ATOM 888 CE3 TRP A 60 -2.283 -9.653 -10.403 1.00 0.00 C ATOM 889 CZ2 TRP A 60 -5.008 -10.116 -9.814 1.00 0.00 C ATOM 890 CZ3 TRP A 60 -2.729 -10.893 -9.987 1.00 0.00 C ATOM 891 CH2 TRP A 60 -4.082 -11.117 -9.698 1.00 0.00 C ATOM 0 H TRP A 60 -1.020 -4.661 -12.798 1.00 0.00 H new ATOM 0 HA TRP A 60 -0.832 -7.548 -12.903 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -1.036 -6.848 -10.717 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -1.998 -5.444 -11.133 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -4.646 -5.709 -11.084 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -6.255 -7.576 -10.298 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -1.239 -9.491 -10.626 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -6.050 -10.290 -9.589 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -2.023 -11.703 -9.883 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -4.400 -12.098 -9.378 1.00 0.00 H new ATOM 902 N LEU A 61 -3.437 -5.942 -14.071 1.00 0.00 N ATOM 903 CA LEU A 61 -4.657 -6.090 -14.857 1.00 0.00 C ATOM 904 C LEU A 61 -4.344 -6.609 -16.256 1.00 0.00 C ATOM 905 O LEU A 61 -5.230 -7.089 -16.964 1.00 0.00 O ATOM 906 CB LEU A 61 -5.393 -4.753 -14.949 1.00 0.00 C ATOM 907 CG LEU A 61 -6.366 -4.442 -13.811 1.00 0.00 C ATOM 908 CD1 LEU A 61 -6.921 -3.033 -13.953 1.00 0.00 C ATOM 909 CD2 LEU A 61 -7.495 -5.461 -13.781 1.00 0.00 C ATOM 0 H LEU A 61 -3.154 -4.975 -13.910 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.297 -6.816 -14.356 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.651 -3.955 -14.994 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.945 -4.729 -15.889 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.823 -4.503 -12.868 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.611 -2.830 -13.134 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.102 -2.315 -13.924 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.448 -2.944 -14.903 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.178 -5.224 -12.965 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.036 -5.432 -14.727 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.081 -6.458 -13.630 1.00 0.00 H new ATOM 921 N ASP A 62 -3.078 -6.512 -16.648 1.00 0.00 N ATOM 922 CA ASP A 62 -2.647 -6.974 -17.962 1.00 0.00 C ATOM 923 C ASP A 62 -2.146 -8.414 -17.894 1.00 0.00 C ATOM 924 O ASP A 62 -2.345 -9.195 -18.824 1.00 0.00 O ATOM 925 CB ASP A 62 -1.547 -6.064 -18.511 1.00 0.00 C ATOM 926 CG ASP A 62 -1.457 -6.112 -20.024 1.00 0.00 C ATOM 927 OD1 ASP A 62 -1.189 -7.204 -20.568 1.00 0.00 O ATOM 928 OD2 ASP A 62 -1.656 -5.059 -20.664 1.00 0.00 O ATOM 0 H ASP A 62 -2.333 -6.118 -16.074 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.506 -6.938 -18.632 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -1.736 -5.038 -18.194 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.589 -6.359 -18.083 1.00 0.00 H new ATOM 933 N ASN A 63 -1.495 -8.757 -16.788 1.00 0.00 N ATOM 934 CA ASN A 63 -0.964 -10.102 -16.599 1.00 0.00 C ATOM 935 C ASN A 63 -1.342 -10.648 -15.226 1.00 0.00 C ATOM 936 O ASN A 63 -0.499 -11.125 -14.466 1.00 0.00 O ATOM 937 CB ASN A 63 0.557 -10.099 -16.758 1.00 0.00 C ATOM 938 CG ASN A 63 1.075 -11.376 -17.392 1.00 0.00 C ATOM 939 OD1 ASN A 63 1.534 -11.373 -18.534 1.00 0.00 O ATOM 940 ND2 ASN A 63 1.003 -12.475 -16.650 1.00 0.00 N ATOM 0 H ASN A 63 -1.322 -8.122 -16.009 1.00 0.00 H new ATOM 0 HA ASN A 63 -1.401 -10.748 -17.360 1.00 0.00 H new ATOM 0 HB2 ASN A 63 0.854 -9.247 -17.369 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.021 -9.968 -15.781 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.336 -13.364 -17.022 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.615 -12.430 -15.708 1.00 0.00 H new ATOM 947 N PRO A 64 -2.641 -10.578 -14.899 1.00 0.00 N ATOM 948 CA PRO A 64 -3.162 -11.062 -13.616 1.00 0.00 C ATOM 949 C PRO A 64 -3.115 -12.583 -13.509 1.00 0.00 C ATOM 950 O PRO A 64 -3.564 -13.159 -12.517 1.00 0.00 O ATOM 951 CB PRO A 64 -4.611 -10.570 -13.613 1.00 0.00 C ATOM 952 CG PRO A 64 -4.967 -10.432 -15.053 1.00 0.00 C ATOM 953 CD PRO A 64 -3.702 -10.022 -15.755 1.00 0.00 C ATOM 0 HA PRO A 64 -2.573 -10.699 -12.774 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -5.269 -11.278 -13.109 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -4.705 -9.619 -13.089 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.348 -11.372 -15.453 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -5.750 -9.686 -15.192 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.655 -10.426 -16.766 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.623 -8.938 -15.840 1.00 0.00 H new ATOM 961 N LYS A 65 -2.570 -13.228 -14.534 1.00 0.00 N ATOM 962 CA LYS A 65 -2.463 -14.682 -14.555 1.00 0.00 C ATOM 963 C LYS A 65 -1.285 -15.153 -13.708 1.00 0.00 C ATOM 964 O LYS A 65 -1.138 -16.346 -13.443 1.00 0.00 O ATOM 965 CB LYS A 65 -2.303 -15.181 -15.993 1.00 0.00 C ATOM 966 CG LYS A 65 -1.261 -14.416 -16.790 1.00 0.00 C ATOM 967 CD LYS A 65 -0.539 -15.319 -17.776 1.00 0.00 C ATOM 968 CE LYS A 65 -1.439 -15.707 -18.939 1.00 0.00 C ATOM 969 NZ LYS A 65 -0.663 -15.942 -20.187 1.00 0.00 N ATOM 0 H LYS A 65 -2.195 -12.766 -15.363 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.379 -15.095 -14.133 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.031 -16.236 -15.974 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.264 -15.108 -16.503 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.741 -13.599 -17.328 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.538 -13.968 -16.109 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.348 -14.811 -18.155 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.196 -16.218 -17.264 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.995 -16.608 -18.682 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.171 -14.918 -19.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.313 -16.204 -20.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.152 -15.074 -20.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.019 -16.712 -20.032 1.00 0.00 H new ATOM 983 N ILE A 66 -0.452 -14.209 -13.285 1.00 0.00 N ATOM 984 CA ILE A 66 0.711 -14.528 -12.466 1.00 0.00 C ATOM 985 C ILE A 66 0.820 -13.582 -11.275 1.00 0.00 C ATOM 986 O ILE A 66 0.335 -12.452 -11.321 1.00 0.00 O ATOM 987 CB ILE A 66 2.013 -14.457 -13.285 1.00 0.00 C ATOM 988 CG1 ILE A 66 2.409 -13.000 -13.530 1.00 0.00 C ATOM 989 CG2 ILE A 66 1.850 -15.197 -14.604 1.00 0.00 C ATOM 990 CD1 ILE A 66 3.785 -12.841 -14.137 1.00 0.00 C ATOM 0 H ILE A 66 -0.560 -13.217 -13.496 1.00 0.00 H new ATOM 0 HA ILE A 66 0.574 -15.548 -12.106 1.00 0.00 H new ATOM 0 HB ILE A 66 2.809 -14.939 -12.717 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.674 -12.538 -14.190 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.373 -12.458 -12.585 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.779 -15.138 -15.172 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.611 -16.242 -14.408 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.044 -14.742 -15.179 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.998 -11.782 -14.283 1.00 0.00 H new ATOM 0 HD12 ILE A 66 4.530 -13.273 -13.468 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.820 -13.354 -15.098 1.00 0.00 H new ATOM 1002 N GLN A 67 1.463 -14.051 -10.210 1.00 0.00 N ATOM 1003 CA GLN A 67 1.638 -13.246 -9.007 1.00 0.00 C ATOM 1004 C GLN A 67 2.598 -12.089 -9.261 1.00 0.00 C ATOM 1005 O GLN A 67 3.678 -12.276 -9.823 1.00 0.00 O ATOM 1006 CB GLN A 67 2.157 -14.113 -7.859 1.00 0.00 C ATOM 1007 CG GLN A 67 3.661 -14.331 -7.894 1.00 0.00 C ATOM 1008 CD GLN A 67 4.121 -15.029 -9.159 1.00 0.00 C ATOM 1009 OE1 GLN A 67 3.724 -16.161 -9.437 1.00 0.00 O ATOM 1010 NE2 GLN A 67 4.962 -14.355 -9.935 1.00 0.00 N ATOM 0 H GLN A 67 1.871 -14.984 -10.156 1.00 0.00 H new ATOM 0 HA GLN A 67 0.667 -12.834 -8.731 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.888 -13.646 -6.912 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.657 -15.081 -7.891 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.166 -13.368 -7.811 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.959 -14.923 -7.028 1.00 0.00 H new ATOM 0 HE21 GLN A 67 5.265 -13.419 -9.666 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.305 -14.773 -10.800 1.00 0.00 H new ATOM 1019 N LEU A 68 2.197 -10.893 -8.845 1.00 0.00 N ATOM 1020 CA LEU A 68 3.022 -9.703 -9.028 1.00 0.00 C ATOM 1021 C LEU A 68 3.898 -9.455 -7.804 1.00 0.00 C ATOM 1022 O LEU A 68 3.436 -8.929 -6.792 1.00 0.00 O ATOM 1023 CB LEU A 68 2.140 -8.482 -9.294 1.00 0.00 C ATOM 1024 CG LEU A 68 2.839 -7.270 -9.909 1.00 0.00 C ATOM 1025 CD1 LEU A 68 3.430 -7.626 -11.265 1.00 0.00 C ATOM 1026 CD2 LEU A 68 1.870 -6.104 -10.038 1.00 0.00 C ATOM 0 H LEU A 68 1.306 -10.721 -8.379 1.00 0.00 H new ATOM 0 HA LEU A 68 3.670 -9.869 -9.889 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.328 -8.783 -9.956 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.686 -8.175 -8.352 1.00 0.00 H new ATOM 0 HG LEU A 68 3.652 -6.970 -9.248 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.924 -6.751 -11.688 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.156 -8.430 -11.146 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.634 -7.952 -11.934 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.385 -5.250 -10.478 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.036 -6.393 -10.677 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.494 -5.833 -9.052 1.00 0.00 H new ATOM 1038 N THR A 69 5.168 -9.836 -7.905 1.00 0.00 N ATOM 1039 CA THR A 69 6.110 -9.654 -6.807 1.00 0.00 C ATOM 1040 C THR A 69 6.507 -8.190 -6.660 1.00 0.00 C ATOM 1041 O THR A 69 6.187 -7.361 -7.513 1.00 0.00 O ATOM 1042 CB THR A 69 7.381 -10.501 -7.012 1.00 0.00 C ATOM 1043 OG1 THR A 69 8.150 -9.974 -8.099 1.00 0.00 O ATOM 1044 CG2 THR A 69 7.025 -11.953 -7.292 1.00 0.00 C ATOM 0 H THR A 69 5.568 -10.272 -8.736 1.00 0.00 H new ATOM 0 HA THR A 69 5.605 -9.983 -5.899 1.00 0.00 H new ATOM 0 HB THR A 69 7.971 -10.459 -6.096 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.957 -10.516 -8.222 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.938 -12.531 -7.433 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.465 -12.359 -6.450 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.416 -12.011 -8.194 1.00 0.00 H new ATOM 1052 N PHE A 70 7.206 -7.877 -5.574 1.00 0.00 N ATOM 1053 CA PHE A 70 7.646 -6.511 -5.315 1.00 0.00 C ATOM 1054 C PHE A 70 8.711 -6.084 -6.321 1.00 0.00 C ATOM 1055 O PHE A 70 8.725 -4.941 -6.777 1.00 0.00 O ATOM 1056 CB PHE A 70 8.194 -6.391 -3.892 1.00 0.00 C ATOM 1057 CG PHE A 70 9.036 -5.166 -3.675 1.00 0.00 C ATOM 1058 CD1 PHE A 70 8.453 -3.967 -3.299 1.00 0.00 C ATOM 1059 CD2 PHE A 70 10.410 -5.213 -3.848 1.00 0.00 C ATOM 1060 CE1 PHE A 70 9.225 -2.838 -3.100 1.00 0.00 C ATOM 1061 CE2 PHE A 70 11.187 -4.088 -3.650 1.00 0.00 C ATOM 1062 CZ PHE A 70 10.594 -2.898 -3.274 1.00 0.00 C ATOM 0 H PHE A 70 7.480 -8.551 -4.859 1.00 0.00 H new ATOM 0 HA PHE A 70 6.785 -5.851 -5.422 1.00 0.00 H new ATOM 0 HB2 PHE A 70 7.360 -6.378 -3.190 1.00 0.00 H new ATOM 0 HB3 PHE A 70 8.789 -7.276 -3.664 1.00 0.00 H new ATOM 0 HD1 PHE A 70 7.383 -3.914 -3.160 1.00 0.00 H new ATOM 0 HD2 PHE A 70 10.879 -6.140 -4.141 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.758 -1.909 -2.808 1.00 0.00 H new ATOM 0 HE2 PHE A 70 12.257 -4.139 -3.789 1.00 0.00 H new ATOM 0 HZ PHE A 70 11.199 -2.017 -3.117 1.00 0.00 H new ATOM 1072 N GLU A 71 9.602 -7.010 -6.660 1.00 0.00 N ATOM 1073 CA GLU A 71 10.672 -6.729 -7.610 1.00 0.00 C ATOM 1074 C GLU A 71 10.102 -6.308 -8.962 1.00 0.00 C ATOM 1075 O GLU A 71 10.390 -5.218 -9.457 1.00 0.00 O ATOM 1076 CB GLU A 71 11.568 -7.957 -7.782 1.00 0.00 C ATOM 1077 CG GLU A 71 12.665 -8.061 -6.737 1.00 0.00 C ATOM 1078 CD GLU A 71 13.856 -7.176 -7.050 1.00 0.00 C ATOM 1079 OE1 GLU A 71 13.688 -5.939 -7.068 1.00 0.00 O ATOM 1080 OE2 GLU A 71 14.956 -7.721 -7.277 1.00 0.00 O ATOM 0 H GLU A 71 9.604 -7.961 -6.291 1.00 0.00 H new ATOM 0 HA GLU A 71 11.268 -5.907 -7.214 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.951 -8.855 -7.740 1.00 0.00 H new ATOM 0 HB3 GLU A 71 12.023 -7.929 -8.772 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.260 -7.788 -5.763 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.996 -9.097 -6.665 1.00 0.00 H new ATOM 1087 N ALA A 72 9.293 -7.180 -9.554 1.00 0.00 N ATOM 1088 CA ALA A 72 8.682 -6.899 -10.847 1.00 0.00 C ATOM 1089 C ALA A 72 8.057 -5.508 -10.869 1.00 0.00 C ATOM 1090 O ALA A 72 8.401 -4.674 -11.707 1.00 0.00 O ATOM 1091 CB ALA A 72 7.637 -7.954 -11.177 1.00 0.00 C ATOM 0 H ALA A 72 9.045 -8.087 -9.159 1.00 0.00 H new ATOM 0 HA ALA A 72 9.465 -6.929 -11.605 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.189 -7.732 -12.145 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.110 -8.936 -11.213 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.863 -7.952 -10.410 1.00 0.00 H new ATOM 1097 N THR A 73 7.136 -5.264 -9.942 1.00 0.00 N ATOM 1098 CA THR A 73 6.462 -3.975 -9.856 1.00 0.00 C ATOM 1099 C THR A 73 7.467 -2.828 -9.840 1.00 0.00 C ATOM 1100 O THR A 73 7.258 -1.797 -10.481 1.00 0.00 O ATOM 1101 CB THR A 73 5.579 -3.885 -8.596 1.00 0.00 C ATOM 1102 OG1 THR A 73 4.676 -4.995 -8.551 1.00 0.00 O ATOM 1103 CG2 THR A 73 4.792 -2.583 -8.578 1.00 0.00 C ATOM 0 H THR A 73 6.840 -5.942 -9.240 1.00 0.00 H new ATOM 0 HA THR A 73 5.831 -3.890 -10.741 1.00 0.00 H new ATOM 0 HB THR A 73 6.229 -3.910 -7.721 1.00 0.00 H new ATOM 0 HG1 THR A 73 5.143 -5.782 -8.200 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.176 -2.542 -7.679 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.483 -1.740 -8.583 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.152 -2.532 -9.459 1.00 0.00 H new ATOM 1111 N LEU A 74 8.558 -3.015 -9.107 1.00 0.00 N ATOM 1112 CA LEU A 74 9.597 -1.996 -9.009 1.00 0.00 C ATOM 1113 C LEU A 74 10.304 -1.809 -10.347 1.00 0.00 C ATOM 1114 O LEU A 74 10.349 -0.703 -10.887 1.00 0.00 O ATOM 1115 CB LEU A 74 10.614 -2.378 -7.931 1.00 0.00 C ATOM 1116 CG LEU A 74 11.977 -1.690 -8.021 1.00 0.00 C ATOM 1117 CD1 LEU A 74 11.913 -0.298 -7.414 1.00 0.00 C ATOM 1118 CD2 LEU A 74 13.043 -2.528 -7.329 1.00 0.00 C ATOM 0 H LEU A 74 8.747 -3.863 -8.572 1.00 0.00 H new ATOM 0 HA LEU A 74 9.122 -1.054 -8.735 1.00 0.00 H new ATOM 0 HB2 LEU A 74 10.181 -2.156 -6.956 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.770 -3.456 -7.972 1.00 0.00 H new ATOM 0 HG LEU A 74 12.246 -1.593 -9.073 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.892 0.176 -7.487 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.179 0.301 -7.953 1.00 0.00 H new ATOM 0 HD13 LEU A 74 11.623 -0.371 -6.366 1.00 0.00 H new ATOM 0 HD21 LEU A 74 14.007 -2.024 -7.402 1.00 0.00 H new ATOM 0 HD22 LEU A 74 12.780 -2.657 -6.279 1.00 0.00 H new ATOM 0 HD23 LEU A 74 13.107 -3.504 -7.809 1.00 0.00 H new ATOM 1130 N GLN A 75 10.853 -2.896 -10.878 1.00 0.00 N ATOM 1131 CA GLN A 75 11.556 -2.852 -12.155 1.00 0.00 C ATOM 1132 C GLN A 75 10.729 -2.121 -13.207 1.00 0.00 C ATOM 1133 O GLN A 75 11.225 -1.220 -13.883 1.00 0.00 O ATOM 1134 CB GLN A 75 11.877 -4.268 -12.634 1.00 0.00 C ATOM 1135 CG GLN A 75 12.912 -4.981 -11.779 1.00 0.00 C ATOM 1136 CD GLN A 75 14.334 -4.628 -12.169 1.00 0.00 C ATOM 1137 OE1 GLN A 75 14.718 -4.744 -13.333 1.00 0.00 O ATOM 1138 NE2 GLN A 75 15.125 -4.194 -11.195 1.00 0.00 N ATOM 0 H GLN A 75 10.825 -3.819 -10.444 1.00 0.00 H new ATOM 0 HA GLN A 75 12.488 -2.306 -12.009 1.00 0.00 H new ATOM 0 HB2 GLN A 75 10.959 -4.856 -12.644 1.00 0.00 H new ATOM 0 HB3 GLN A 75 12.237 -4.222 -13.662 1.00 0.00 H new ATOM 0 HG2 GLN A 75 12.752 -4.724 -10.732 1.00 0.00 H new ATOM 0 HG3 GLN A 75 12.772 -6.058 -11.868 1.00 0.00 H new ATOM 0 HE21 GLN A 75 14.765 -4.113 -10.244 1.00 0.00 H new ATOM 0 HE22 GLN A 75 16.092 -3.941 -11.398 1.00 0.00 H new ATOM 1147 N GLN A 76 9.466 -2.515 -13.338 1.00 0.00 N ATOM 1148 CA GLN A 76 8.571 -1.897 -14.309 1.00 0.00 C ATOM 1149 C GLN A 76 8.391 -0.411 -14.015 1.00 0.00 C ATOM 1150 O GLN A 76 8.420 0.420 -14.924 1.00 0.00 O ATOM 1151 CB GLN A 76 7.212 -2.599 -14.300 1.00 0.00 C ATOM 1152 CG GLN A 76 7.279 -4.060 -14.714 1.00 0.00 C ATOM 1153 CD GLN A 76 6.123 -4.875 -14.169 1.00 0.00 C ATOM 1154 OE1 GLN A 76 5.333 -5.438 -14.928 1.00 0.00 O ATOM 1155 NE2 GLN A 76 6.017 -4.942 -12.847 1.00 0.00 N ATOM 0 H GLN A 76 9.040 -3.258 -12.785 1.00 0.00 H new ATOM 0 HA GLN A 76 9.020 -2.001 -15.297 1.00 0.00 H new ATOM 0 HB2 GLN A 76 6.785 -2.533 -13.299 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.535 -2.071 -14.971 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.283 -4.125 -15.802 1.00 0.00 H new ATOM 0 HG3 GLN A 76 8.218 -4.490 -14.365 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.694 -4.460 -12.256 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.258 -5.476 -12.423 1.00 0.00 H new ATOM 1164 N LEU A 77 8.206 -0.083 -12.741 1.00 0.00 N ATOM 1165 CA LEU A 77 8.021 1.303 -12.327 1.00 0.00 C ATOM 1166 C LEU A 77 9.100 2.199 -12.927 1.00 0.00 C ATOM 1167 O LEU A 77 10.069 1.714 -13.510 1.00 0.00 O ATOM 1168 CB LEU A 77 8.044 1.408 -10.801 1.00 0.00 C ATOM 1169 CG LEU A 77 6.686 1.342 -10.103 1.00 0.00 C ATOM 1170 CD1 LEU A 77 6.840 0.814 -8.685 1.00 0.00 C ATOM 1171 CD2 LEU A 77 6.023 2.712 -10.094 1.00 0.00 C ATOM 0 H LEU A 77 8.180 -0.758 -11.977 1.00 0.00 H new ATOM 0 HA LEU A 77 7.051 1.639 -12.693 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.670 0.605 -10.411 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.525 2.348 -10.529 1.00 0.00 H new ATOM 0 HG LEU A 77 6.047 0.655 -10.658 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.863 0.774 -8.204 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.271 -0.187 -8.714 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.496 1.476 -8.120 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.057 2.646 -9.593 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.659 3.421 -9.563 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.877 3.052 -11.119 1.00 0.00 H new ATOM 1183 N GLU A 78 8.925 3.508 -12.777 1.00 0.00 N ATOM 1184 CA GLU A 78 9.886 4.471 -13.303 1.00 0.00 C ATOM 1185 C GLU A 78 10.077 5.634 -12.333 1.00 0.00 C ATOM 1186 O GLU A 78 9.119 6.314 -11.966 1.00 0.00 O ATOM 1187 CB GLU A 78 9.421 4.998 -14.663 1.00 0.00 C ATOM 1188 CG GLU A 78 8.055 5.663 -14.623 1.00 0.00 C ATOM 1189 CD GLU A 78 7.659 6.261 -15.959 1.00 0.00 C ATOM 1190 OE1 GLU A 78 8.005 5.666 -17.001 1.00 0.00 O ATOM 1191 OE2 GLU A 78 7.003 7.324 -15.963 1.00 0.00 O ATOM 0 H GLU A 78 8.128 3.926 -12.296 1.00 0.00 H new ATOM 0 HA GLU A 78 10.842 3.962 -13.426 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.154 5.714 -15.036 1.00 0.00 H new ATOM 0 HB3 GLU A 78 9.393 4.172 -15.373 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.307 4.930 -14.321 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.058 6.446 -13.865 1.00 0.00 H new ATOM 1198 N ALA A 79 11.321 5.855 -11.922 1.00 0.00 N ATOM 1199 CA ALA A 79 11.639 6.935 -10.997 1.00 0.00 C ATOM 1200 C ALA A 79 10.866 8.202 -11.345 1.00 0.00 C ATOM 1201 O ALA A 79 10.476 8.425 -12.491 1.00 0.00 O ATOM 1202 CB ALA A 79 13.136 7.210 -11.001 1.00 0.00 C ATOM 0 H ALA A 79 12.125 5.300 -12.215 1.00 0.00 H new ATOM 0 HA ALA A 79 11.341 6.622 -9.996 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.359 8.019 -10.306 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.672 6.311 -10.696 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.451 7.497 -12.004 1.00 0.00 H new ATOM 1208 N PRO A 80 10.636 9.053 -10.333 1.00 0.00 N ATOM 1209 CA PRO A 80 11.095 8.798 -8.965 1.00 0.00 C ATOM 1210 C PRO A 80 10.336 7.653 -8.303 1.00 0.00 C ATOM 1211 O PRO A 80 10.690 7.210 -7.210 1.00 0.00 O ATOM 1212 CB PRO A 80 10.808 10.117 -8.243 1.00 0.00 C ATOM 1213 CG PRO A 80 9.698 10.739 -9.017 1.00 0.00 C ATOM 1214 CD PRO A 80 9.911 10.329 -10.448 1.00 0.00 C ATOM 0 HA PRO A 80 12.143 8.499 -8.936 1.00 0.00 H new ATOM 0 HB2 PRO A 80 10.520 9.946 -7.206 1.00 0.00 H new ATOM 0 HB3 PRO A 80 11.688 10.760 -8.228 1.00 0.00 H new ATOM 0 HG2 PRO A 80 8.729 10.397 -8.653 1.00 0.00 H new ATOM 0 HG3 PRO A 80 9.712 11.824 -8.916 1.00 0.00 H new ATOM 0 HD2 PRO A 80 8.965 10.208 -10.976 1.00 0.00 H new ATOM 0 HD3 PRO A 80 10.490 11.072 -10.997 1.00 0.00 H new ATOM 1222 N TYR A 81 9.291 7.177 -8.972 1.00 0.00 N ATOM 1223 CA TYR A 81 8.481 6.084 -8.447 1.00 0.00 C ATOM 1224 C TYR A 81 9.363 4.951 -7.932 1.00 0.00 C ATOM 1225 O TYR A 81 9.325 4.607 -6.752 1.00 0.00 O ATOM 1226 CB TYR A 81 7.535 5.559 -9.528 1.00 0.00 C ATOM 1227 CG TYR A 81 6.850 6.651 -10.317 1.00 0.00 C ATOM 1228 CD1 TYR A 81 6.469 7.841 -9.707 1.00 0.00 C ATOM 1229 CD2 TYR A 81 6.582 6.495 -11.671 1.00 0.00 C ATOM 1230 CE1 TYR A 81 5.842 8.842 -10.424 1.00 0.00 C ATOM 1231 CE2 TYR A 81 5.957 7.491 -12.396 1.00 0.00 C ATOM 1232 CZ TYR A 81 5.589 8.663 -11.767 1.00 0.00 C ATOM 1233 OH TYR A 81 4.965 9.657 -12.485 1.00 0.00 O ATOM 0 H TYR A 81 8.985 7.531 -9.878 1.00 0.00 H new ATOM 0 HA TYR A 81 7.892 6.468 -7.614 1.00 0.00 H new ATOM 0 HB2 TYR A 81 8.097 4.925 -10.214 1.00 0.00 H new ATOM 0 HB3 TYR A 81 6.777 4.930 -9.061 1.00 0.00 H new ATOM 0 HD1 TYR A 81 6.666 7.985 -8.655 1.00 0.00 H new ATOM 0 HD2 TYR A 81 6.867 5.578 -12.166 1.00 0.00 H new ATOM 0 HE1 TYR A 81 5.552 9.760 -9.935 1.00 0.00 H new ATOM 0 HE2 TYR A 81 5.758 7.353 -13.448 1.00 0.00 H new ATOM 0 HH TYR A 81 4.049 9.381 -12.698 1.00 0.00 H new ATOM 1243 N ASN A 82 10.157 4.374 -8.829 1.00 0.00 N ATOM 1244 CA ASN A 82 11.050 3.279 -8.466 1.00 0.00 C ATOM 1245 C ASN A 82 12.164 3.767 -7.546 1.00 0.00 C ATOM 1246 O ASN A 82 12.783 2.979 -6.831 1.00 0.00 O ATOM 1247 CB ASN A 82 11.652 2.647 -9.723 1.00 0.00 C ATOM 1248 CG ASN A 82 12.525 3.616 -10.496 1.00 0.00 C ATOM 1249 OD1 ASN A 82 12.991 4.618 -9.953 1.00 0.00 O ATOM 1250 ND2 ASN A 82 12.752 3.320 -11.771 1.00 0.00 N ATOM 0 H ASN A 82 10.200 4.646 -9.811 1.00 0.00 H new ATOM 0 HA ASN A 82 10.466 2.529 -7.933 1.00 0.00 H new ATOM 0 HB2 ASN A 82 12.243 1.776 -9.441 1.00 0.00 H new ATOM 0 HB3 ASN A 82 10.848 2.292 -10.368 1.00 0.00 H new ATOM 0 HD21 ASN A 82 13.333 3.934 -12.341 1.00 0.00 H new ATOM 0 HD22 ASN A 82 12.345 2.479 -12.179 1.00 0.00 H new ATOM 1257 N SER A 83 12.414 5.073 -7.568 1.00 0.00 N ATOM 1258 CA SER A 83 13.455 5.666 -6.738 1.00 0.00 C ATOM 1259 C SER A 83 13.197 5.388 -5.261 1.00 0.00 C ATOM 1260 O SER A 83 14.097 4.978 -4.528 1.00 0.00 O ATOM 1261 CB SER A 83 13.531 7.175 -6.979 1.00 0.00 C ATOM 1262 OG SER A 83 14.749 7.709 -6.491 1.00 0.00 O ATOM 0 H SER A 83 11.909 5.740 -8.152 1.00 0.00 H new ATOM 0 HA SER A 83 14.407 5.213 -7.014 1.00 0.00 H new ATOM 0 HB2 SER A 83 13.442 7.381 -8.046 1.00 0.00 H new ATOM 0 HB3 SER A 83 12.692 7.668 -6.488 1.00 0.00 H new ATOM 0 HG SER A 83 14.773 8.674 -6.659 1.00 0.00 H new ATOM 1268 N ASP A 84 11.961 5.614 -4.830 1.00 0.00 N ATOM 1269 CA ASP A 84 11.581 5.388 -3.440 1.00 0.00 C ATOM 1270 C ASP A 84 11.035 3.976 -3.249 1.00 0.00 C ATOM 1271 O ASP A 84 9.825 3.753 -3.310 1.00 0.00 O ATOM 1272 CB ASP A 84 10.538 6.416 -3.000 1.00 0.00 C ATOM 1273 CG ASP A 84 10.906 7.827 -3.413 1.00 0.00 C ATOM 1274 OD1 ASP A 84 10.681 8.179 -4.590 1.00 0.00 O ATOM 1275 OD2 ASP A 84 11.418 8.580 -2.559 1.00 0.00 O ATOM 0 H ASP A 84 11.204 5.954 -5.424 1.00 0.00 H new ATOM 0 HA ASP A 84 12.472 5.500 -2.823 1.00 0.00 H new ATOM 0 HB2 ASP A 84 9.571 6.155 -3.430 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.426 6.375 -1.917 1.00 0.00 H new ATOM 1280 N THR A 85 11.934 3.025 -3.019 1.00 0.00 N ATOM 1281 CA THR A 85 11.543 1.635 -2.822 1.00 0.00 C ATOM 1282 C THR A 85 10.629 1.488 -1.611 1.00 0.00 C ATOM 1283 O THR A 85 9.587 0.836 -1.683 1.00 0.00 O ATOM 1284 CB THR A 85 12.773 0.726 -2.635 1.00 0.00 C ATOM 1285 OG1 THR A 85 13.582 1.212 -1.558 1.00 0.00 O ATOM 1286 CG2 THR A 85 13.600 0.667 -3.910 1.00 0.00 C ATOM 0 H THR A 85 12.939 3.192 -2.965 1.00 0.00 H new ATOM 0 HA THR A 85 11.006 1.328 -3.719 1.00 0.00 H new ATOM 0 HB THR A 85 12.423 -0.279 -2.401 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.361 0.628 -1.444 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.463 0.020 -3.754 1.00 0.00 H new ATOM 0 HG22 THR A 85 12.990 0.270 -4.721 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.941 1.669 -4.169 1.00 0.00 H new ATOM 1294 N VAL A 86 11.025 2.098 -0.498 1.00 0.00 N ATOM 1295 CA VAL A 86 10.239 2.036 0.728 1.00 0.00 C ATOM 1296 C VAL A 86 8.759 2.265 0.445 1.00 0.00 C ATOM 1297 O VAL A 86 7.894 1.633 1.052 1.00 0.00 O ATOM 1298 CB VAL A 86 10.721 3.077 1.757 1.00 0.00 C ATOM 1299 CG1 VAL A 86 10.264 4.472 1.358 1.00 0.00 C ATOM 1300 CG2 VAL A 86 10.222 2.720 3.149 1.00 0.00 C ATOM 0 H VAL A 86 11.885 2.640 -0.421 1.00 0.00 H new ATOM 0 HA VAL A 86 10.376 1.037 1.141 1.00 0.00 H new ATOM 0 HB VAL A 86 11.811 3.069 1.774 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.613 5.194 2.096 1.00 0.00 H new ATOM 0 HG12 VAL A 86 10.675 4.724 0.381 1.00 0.00 H new ATOM 0 HG13 VAL A 86 9.175 4.499 1.311 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.572 3.466 3.863 1.00 0.00 H new ATOM 0 HG22 VAL A 86 9.132 2.699 3.151 1.00 0.00 H new ATOM 0 HG23 VAL A 86 10.604 1.739 3.432 1.00 0.00 H new ATOM 1310 N LEU A 87 8.473 3.173 -0.482 1.00 0.00 N ATOM 1311 CA LEU A 87 7.096 3.487 -0.847 1.00 0.00 C ATOM 1312 C LEU A 87 6.492 2.374 -1.697 1.00 0.00 C ATOM 1313 O LEU A 87 5.338 1.990 -1.507 1.00 0.00 O ATOM 1314 CB LEU A 87 7.039 4.813 -1.607 1.00 0.00 C ATOM 1315 CG LEU A 87 5.696 5.544 -1.582 1.00 0.00 C ATOM 1316 CD1 LEU A 87 5.347 5.971 -0.165 1.00 0.00 C ATOM 1317 CD2 LEU A 87 5.726 6.748 -2.512 1.00 0.00 C ATOM 0 H LEU A 87 9.177 3.705 -0.995 1.00 0.00 H new ATOM 0 HA LEU A 87 6.514 3.576 0.070 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.799 5.477 -1.196 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.308 4.625 -2.646 1.00 0.00 H new ATOM 0 HG LEU A 87 4.925 4.859 -1.933 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.388 6.490 -0.167 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.282 5.091 0.475 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.120 6.639 0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.762 7.256 -2.481 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.509 7.436 -2.192 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.929 6.416 -3.530 1.00 0.00 H new ATOM 1329 N VAL A 88 7.280 1.858 -2.635 1.00 0.00 N ATOM 1330 CA VAL A 88 6.824 0.787 -3.513 1.00 0.00 C ATOM 1331 C VAL A 88 6.538 -0.486 -2.723 1.00 0.00 C ATOM 1332 O VAL A 88 5.676 -1.281 -3.098 1.00 0.00 O ATOM 1333 CB VAL A 88 7.863 0.477 -4.606 1.00 0.00 C ATOM 1334 CG1 VAL A 88 7.361 -0.629 -5.523 1.00 0.00 C ATOM 1335 CG2 VAL A 88 8.191 1.732 -5.401 1.00 0.00 C ATOM 0 H VAL A 88 8.238 2.165 -2.806 1.00 0.00 H new ATOM 0 HA VAL A 88 5.904 1.133 -3.984 1.00 0.00 H new ATOM 0 HB VAL A 88 8.777 0.130 -4.125 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.109 -0.834 -6.289 1.00 0.00 H new ATOM 0 HG12 VAL A 88 7.182 -1.532 -4.940 1.00 0.00 H new ATOM 0 HG13 VAL A 88 6.432 -0.314 -5.998 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.927 1.494 -6.169 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.284 2.112 -5.872 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.597 2.491 -4.732 1.00 0.00 H new ATOM 1345 N HIS A 89 7.267 -0.673 -1.628 1.00 0.00 N ATOM 1346 CA HIS A 89 7.091 -1.849 -0.783 1.00 0.00 C ATOM 1347 C HIS A 89 5.828 -1.726 0.063 1.00 0.00 C ATOM 1348 O HIS A 89 5.145 -2.717 0.325 1.00 0.00 O ATOM 1349 CB HIS A 89 8.308 -2.041 0.121 1.00 0.00 C ATOM 1350 CG HIS A 89 8.159 -3.168 1.096 1.00 0.00 C ATOM 1351 ND1 HIS A 89 8.962 -4.289 1.079 1.00 0.00 N ATOM 1352 CD2 HIS A 89 7.294 -3.342 2.122 1.00 0.00 C ATOM 1353 CE1 HIS A 89 8.596 -5.105 2.051 1.00 0.00 C ATOM 1354 NE2 HIS A 89 7.586 -4.554 2.700 1.00 0.00 N ATOM 0 H HIS A 89 7.986 -0.025 -1.305 1.00 0.00 H new ATOM 0 HA HIS A 89 6.989 -2.719 -1.431 1.00 0.00 H new ATOM 0 HB2 HIS A 89 9.186 -2.222 -0.499 1.00 0.00 H new ATOM 0 HB3 HIS A 89 8.491 -1.118 0.671 1.00 0.00 H new ATOM 0 HD2 HIS A 89 6.519 -2.656 2.429 1.00 0.00 H new ATOM 0 HE1 HIS A 89 9.046 -6.060 2.277 1.00 0.00 H new ATOM 0 HE2 HIS A 89 7.102 -4.962 3.500 1.00 0.00 H new ATOM 1363 N ARG A 90 5.523 -0.504 0.488 1.00 0.00 N ATOM 1364 CA ARG A 90 4.343 -0.252 1.307 1.00 0.00 C ATOM 1365 C ARG A 90 3.083 -0.213 0.447 1.00 0.00 C ATOM 1366 O ARG A 90 2.069 -0.825 0.784 1.00 0.00 O ATOM 1367 CB ARG A 90 4.496 1.066 2.067 1.00 0.00 C ATOM 1368 CG ARG A 90 5.636 1.062 3.072 1.00 0.00 C ATOM 1369 CD ARG A 90 6.040 2.475 3.462 1.00 0.00 C ATOM 1370 NE ARG A 90 5.142 3.043 4.464 1.00 0.00 N ATOM 1371 CZ ARG A 90 5.480 4.044 5.270 1.00 0.00 C ATOM 1372 NH1 ARG A 90 6.688 4.583 5.193 1.00 0.00 N ATOM 1373 NH2 ARG A 90 4.607 4.507 6.155 1.00 0.00 N ATOM 0 H ARG A 90 6.077 0.327 0.279 1.00 0.00 H new ATOM 0 HA ARG A 90 4.248 -1.068 2.024 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.657 1.872 1.351 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.564 1.285 2.588 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.336 0.510 3.962 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.494 0.541 2.648 1.00 0.00 H new ATOM 0 HD2 ARG A 90 7.058 2.467 3.851 1.00 0.00 H new ATOM 0 HD3 ARG A 90 6.042 3.109 2.576 1.00 0.00 H new ATOM 0 HE ARG A 90 4.205 2.650 4.550 1.00 0.00 H new ATOM 0 HH11 ARG A 90 7.362 4.230 4.514 1.00 0.00 H new ATOM 0 HH12 ARG A 90 6.944 5.351 5.813 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.676 4.095 6.217 1.00 0.00 H new ATOM 0 HH22 ARG A 90 4.867 5.275 6.774 1.00 0.00 H new ATOM 1387 N VAL A 91 3.154 0.511 -0.665 1.00 0.00 N ATOM 1388 CA VAL A 91 2.020 0.630 -1.574 1.00 0.00 C ATOM 1389 C VAL A 91 1.646 -0.724 -2.166 1.00 0.00 C ATOM 1390 O VAL A 91 0.513 -1.184 -2.023 1.00 0.00 O ATOM 1391 CB VAL A 91 2.320 1.615 -2.720 1.00 0.00 C ATOM 1392 CG1 VAL A 91 1.214 1.573 -3.763 1.00 0.00 C ATOM 1393 CG2 VAL A 91 2.500 3.024 -2.178 1.00 0.00 C ATOM 0 H VAL A 91 3.985 1.024 -0.958 1.00 0.00 H new ATOM 0 HA VAL A 91 1.183 1.010 -0.988 1.00 0.00 H new ATOM 0 HB VAL A 91 3.251 1.314 -3.200 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.443 2.275 -4.565 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.139 0.566 -4.173 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.266 1.848 -3.300 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.711 3.706 -3.001 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.588 3.338 -1.671 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.331 3.039 -1.472 1.00 0.00 H new ATOM 1403 N HIS A 92 2.606 -1.358 -2.832 1.00 0.00 N ATOM 1404 CA HIS A 92 2.378 -2.661 -3.446 1.00 0.00 C ATOM 1405 C HIS A 92 1.792 -3.643 -2.436 1.00 0.00 C ATOM 1406 O HIS A 92 1.152 -4.625 -2.810 1.00 0.00 O ATOM 1407 CB HIS A 92 3.684 -3.216 -4.015 1.00 0.00 C ATOM 1408 CG HIS A 92 3.520 -4.524 -4.725 1.00 0.00 C ATOM 1409 ND1 HIS A 92 3.422 -5.731 -4.066 1.00 0.00 N ATOM 1410 CD2 HIS A 92 3.436 -4.811 -6.046 1.00 0.00 C ATOM 1411 CE1 HIS A 92 3.286 -6.704 -4.950 1.00 0.00 C ATOM 1412 NE2 HIS A 92 3.291 -6.171 -6.158 1.00 0.00 N ATOM 0 H HIS A 92 3.549 -0.991 -2.960 1.00 0.00 H new ATOM 0 HA HIS A 92 1.662 -2.532 -4.258 1.00 0.00 H new ATOM 0 HB2 HIS A 92 4.108 -2.488 -4.706 1.00 0.00 H new ATOM 0 HB3 HIS A 92 4.401 -3.340 -3.203 1.00 0.00 H new ATOM 0 HD2 HIS A 92 3.476 -4.102 -6.860 1.00 0.00 H new ATOM 0 HE1 HIS A 92 3.188 -7.755 -4.723 1.00 0.00 H new ATOM 0 HE2 HIS A 92 3.202 -6.687 -7.033 1.00 0.00 H new ATOM 1421 N SER A 93 2.017 -3.370 -1.154 1.00 0.00 N ATOM 1422 CA SER A 93 1.515 -4.231 -0.090 1.00 0.00 C ATOM 1423 C SER A 93 0.038 -3.957 0.180 1.00 0.00 C ATOM 1424 O SER A 93 -0.808 -4.837 0.016 1.00 0.00 O ATOM 1425 CB SER A 93 2.327 -4.022 1.190 1.00 0.00 C ATOM 1426 OG SER A 93 3.463 -4.868 1.217 1.00 0.00 O ATOM 0 H SER A 93 2.543 -2.560 -0.828 1.00 0.00 H new ATOM 0 HA SER A 93 1.621 -5.266 -0.414 1.00 0.00 H new ATOM 0 HB2 SER A 93 2.643 -2.981 1.258 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.700 -4.222 2.059 1.00 0.00 H new ATOM 0 HG SER A 93 4.254 -4.363 0.934 1.00 0.00 H new ATOM 1432 N TYR A 94 -0.263 -2.732 0.595 1.00 0.00 N ATOM 1433 CA TYR A 94 -1.636 -2.342 0.891 1.00 0.00 C ATOM 1434 C TYR A 94 -2.603 -2.937 -0.128 1.00 0.00 C ATOM 1435 O TYR A 94 -3.749 -3.254 0.197 1.00 0.00 O ATOM 1436 CB TYR A 94 -1.764 -0.818 0.902 1.00 0.00 C ATOM 1437 CG TYR A 94 -3.136 -0.322 0.505 1.00 0.00 C ATOM 1438 CD1 TYR A 94 -3.464 -0.119 -0.830 1.00 0.00 C ATOM 1439 CD2 TYR A 94 -4.106 -0.058 1.465 1.00 0.00 C ATOM 1440 CE1 TYR A 94 -4.716 0.334 -1.197 1.00 0.00 C ATOM 1441 CE2 TYR A 94 -5.361 0.394 1.107 1.00 0.00 C ATOM 1442 CZ TYR A 94 -5.661 0.589 -0.225 1.00 0.00 C ATOM 1443 OH TYR A 94 -6.910 1.039 -0.587 1.00 0.00 O ATOM 0 H TYR A 94 0.425 -1.992 0.734 1.00 0.00 H new ATOM 0 HA TYR A 94 -1.892 -2.729 1.877 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.529 -0.449 1.900 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.024 -0.395 0.223 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.727 -0.319 -1.594 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.874 -0.209 2.509 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.954 0.488 -2.239 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -6.103 0.594 1.866 1.00 0.00 H new ATOM 0 HH TYR A 94 -7.456 1.169 0.216 1.00 0.00 H new ATOM 1453 N LEU A 95 -2.134 -3.087 -1.361 1.00 0.00 N ATOM 1454 CA LEU A 95 -2.955 -3.645 -2.430 1.00 0.00 C ATOM 1455 C LEU A 95 -3.145 -5.147 -2.243 1.00 0.00 C ATOM 1456 O LEU A 95 -4.238 -5.607 -1.913 1.00 0.00 O ATOM 1457 CB LEU A 95 -2.315 -3.366 -3.791 1.00 0.00 C ATOM 1458 CG LEU A 95 -2.281 -1.902 -4.229 1.00 0.00 C ATOM 1459 CD1 LEU A 95 -1.079 -1.641 -5.124 1.00 0.00 C ATOM 1460 CD2 LEU A 95 -3.571 -1.528 -4.942 1.00 0.00 C ATOM 0 H LEU A 95 -1.189 -2.830 -1.646 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.933 -3.166 -2.391 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.292 -3.743 -3.773 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.853 -3.938 -4.547 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.188 -1.279 -3.340 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.071 -0.594 -5.426 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.163 -1.868 -4.579 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.140 -2.274 -6.009 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.528 -0.482 -5.246 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.695 -2.158 -5.823 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.415 -1.676 -4.268 1.00 0.00 H new ATOM 1472 N GLU A 96 -2.074 -5.905 -2.454 1.00 0.00 N ATOM 1473 CA GLU A 96 -2.123 -7.355 -2.307 1.00 0.00 C ATOM 1474 C GLU A 96 -2.773 -7.746 -0.983 1.00 0.00 C ATOM 1475 O GLU A 96 -3.656 -8.602 -0.942 1.00 0.00 O ATOM 1476 CB GLU A 96 -0.715 -7.947 -2.391 1.00 0.00 C ATOM 1477 CG GLU A 96 -0.688 -9.465 -2.334 1.00 0.00 C ATOM 1478 CD GLU A 96 0.643 -10.007 -1.850 1.00 0.00 C ATOM 1479 OE1 GLU A 96 1.690 -9.518 -2.323 1.00 0.00 O ATOM 1480 OE2 GLU A 96 0.637 -10.921 -0.999 1.00 0.00 O ATOM 0 H GLU A 96 -1.162 -5.539 -2.727 1.00 0.00 H new ATOM 0 HA GLU A 96 -2.727 -7.756 -3.121 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -0.247 -7.618 -3.319 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -0.114 -7.550 -1.573 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -1.481 -9.814 -1.672 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -0.901 -9.866 -3.325 1.00 0.00 H new ATOM 1487 N ARG A 97 -2.329 -7.112 0.097 1.00 0.00 N ATOM 1488 CA ARG A 97 -2.865 -7.394 1.423 1.00 0.00 C ATOM 1489 C ARG A 97 -4.380 -7.212 1.447 1.00 0.00 C ATOM 1490 O ARG A 97 -5.101 -8.002 2.058 1.00 0.00 O ATOM 1491 CB ARG A 97 -2.215 -6.480 2.464 1.00 0.00 C ATOM 1492 CG ARG A 97 -0.773 -6.844 2.777 1.00 0.00 C ATOM 1493 CD ARG A 97 -0.243 -6.052 3.963 1.00 0.00 C ATOM 1494 NE ARG A 97 1.182 -6.281 4.181 1.00 0.00 N ATOM 1495 CZ ARG A 97 1.785 -6.100 5.351 1.00 0.00 C ATOM 1496 NH1 ARG A 97 1.089 -5.690 6.403 1.00 0.00 N ATOM 1497 NH2 ARG A 97 3.087 -6.329 5.471 1.00 0.00 N ATOM 0 H ARG A 97 -1.599 -6.399 0.080 1.00 0.00 H new ATOM 0 HA ARG A 97 -2.637 -8.432 1.667 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -2.252 -5.451 2.106 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -2.799 -6.518 3.384 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -0.704 -7.911 2.990 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -0.150 -6.653 1.903 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -0.418 -4.989 3.796 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -0.796 -6.329 4.860 1.00 0.00 H new ATOM 0 HE ARG A 97 1.746 -6.597 3.392 1.00 0.00 H new ATOM 0 HH11 ARG A 97 0.088 -5.513 6.315 1.00 0.00 H new ATOM 0 HH12 ARG A 97 1.554 -5.552 7.300 1.00 0.00 H new ATOM 0 HH21 ARG A 97 3.626 -6.644 4.664 1.00 0.00 H new ATOM 0 HH22 ARG A 97 3.549 -6.190 6.370 1.00 0.00 H new ATOM 1511 N HIS A 98 -4.856 -6.166 0.779 1.00 0.00 N ATOM 1512 CA HIS A 98 -6.285 -5.881 0.723 1.00 0.00 C ATOM 1513 C HIS A 98 -6.976 -6.763 -0.313 1.00 0.00 C ATOM 1514 O HIS A 98 -8.140 -6.550 -0.647 1.00 0.00 O ATOM 1515 CB HIS A 98 -6.520 -4.407 0.392 1.00 0.00 C ATOM 1516 CG HIS A 98 -6.243 -3.484 1.538 1.00 0.00 C ATOM 1517 ND1 HIS A 98 -6.944 -2.315 1.751 1.00 0.00 N ATOM 1518 CD2 HIS A 98 -5.335 -3.564 2.540 1.00 0.00 C ATOM 1519 CE1 HIS A 98 -6.478 -1.716 2.832 1.00 0.00 C ATOM 1520 NE2 HIS A 98 -5.502 -2.453 3.330 1.00 0.00 N ATOM 0 H HIS A 98 -4.273 -5.502 0.269 1.00 0.00 H new ATOM 0 HA HIS A 98 -6.712 -6.099 1.702 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -5.887 -4.127 -0.450 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.554 -4.275 0.072 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -4.614 -4.354 2.690 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -6.835 -0.782 3.240 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -4.960 -2.233 4.166 1.00 0.00 H new ATOM 1529 N GLY A 99 -6.248 -7.755 -0.818 1.00 0.00 N ATOM 1530 CA GLY A 99 -6.806 -8.653 -1.811 1.00 0.00 C ATOM 1531 C GLY A 99 -7.148 -7.945 -3.107 1.00 0.00 C ATOM 1532 O GLY A 99 -8.169 -8.236 -3.732 1.00 0.00 O ATOM 0 H GLY A 99 -5.282 -7.952 -0.557 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -6.093 -9.452 -2.015 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.704 -9.121 -1.409 1.00 0.00 H new ATOM 1536 N LEU A 100 -6.294 -7.012 -3.512 1.00 0.00 N ATOM 1537 CA LEU A 100 -6.511 -6.258 -4.742 1.00 0.00 C ATOM 1538 C LEU A 100 -5.630 -6.788 -5.868 1.00 0.00 C ATOM 1539 O LEU A 100 -5.928 -6.592 -7.047 1.00 0.00 O ATOM 1540 CB LEU A 100 -6.225 -4.773 -4.511 1.00 0.00 C ATOM 1541 CG LEU A 100 -7.050 -4.093 -3.417 1.00 0.00 C ATOM 1542 CD1 LEU A 100 -7.205 -2.609 -3.710 1.00 0.00 C ATOM 1543 CD2 LEU A 100 -8.413 -4.758 -3.286 1.00 0.00 C ATOM 0 H LEU A 100 -5.445 -6.759 -3.007 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.554 -6.379 -5.034 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.169 -4.661 -4.265 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.392 -4.241 -5.448 1.00 0.00 H new ATOM 0 HG LEU A 100 -6.522 -4.202 -2.470 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.795 -2.142 -2.921 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.221 -2.142 -3.753 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -7.711 -2.478 -4.667 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.986 -4.261 -2.503 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -8.948 -4.680 -4.232 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -8.282 -5.809 -3.028 1.00 0.00 H new ATOM 1555 N ILE A 101 -4.545 -7.460 -5.497 1.00 0.00 N ATOM 1556 CA ILE A 101 -3.623 -8.021 -6.477 1.00 0.00 C ATOM 1557 C ILE A 101 -3.153 -9.410 -6.057 1.00 0.00 C ATOM 1558 O ILE A 101 -2.994 -9.690 -4.870 1.00 0.00 O ATOM 1559 CB ILE A 101 -2.394 -7.114 -6.676 1.00 0.00 C ATOM 1560 CG1 ILE A 101 -1.545 -7.083 -5.404 1.00 0.00 C ATOM 1561 CG2 ILE A 101 -2.829 -5.709 -7.063 1.00 0.00 C ATOM 1562 CD1 ILE A 101 -0.148 -6.543 -5.622 1.00 0.00 C ATOM 0 H ILE A 101 -4.283 -7.629 -4.526 1.00 0.00 H new ATOM 0 HA ILE A 101 -4.168 -8.093 -7.418 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.788 -7.521 -7.485 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.049 -6.472 -4.655 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -1.476 -8.092 -4.998 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -1.949 -5.080 -7.200 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -3.396 -5.747 -7.993 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -3.454 -5.291 -6.274 1.00 0.00 H new ATOM 0 HD11 ILE A 101 0.396 -6.550 -4.678 1.00 0.00 H new ATOM 0 HD12 ILE A 101 0.374 -7.167 -6.347 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -0.207 -5.522 -5.999 1.00 0.00 H new ATOM 1574 N ASN A 102 -2.932 -10.276 -7.041 1.00 0.00 N ATOM 1575 CA ASN A 102 -2.479 -11.636 -6.774 1.00 0.00 C ATOM 1576 C ASN A 102 -3.510 -12.401 -5.950 1.00 0.00 C ATOM 1577 O ASN A 102 -3.197 -12.937 -4.886 1.00 0.00 O ATOM 1578 CB ASN A 102 -1.137 -11.614 -6.040 1.00 0.00 C ATOM 1579 CG ASN A 102 -0.132 -10.691 -6.700 1.00 0.00 C ATOM 1580 OD1 ASN A 102 -0.494 -9.844 -7.518 1.00 0.00 O ATOM 1581 ND2 ASN A 102 1.139 -10.850 -6.348 1.00 0.00 N ATOM 0 H ASN A 102 -3.059 -10.060 -8.030 1.00 0.00 H new ATOM 0 HA ASN A 102 -2.354 -12.145 -7.730 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -1.295 -11.297 -5.009 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -0.729 -12.624 -6.004 1.00 0.00 H new ATOM 0 HD21 ASN A 102 1.860 -10.257 -6.759 1.00 0.00 H new ATOM 0 HD22 ASN A 102 1.394 -11.565 -5.666 1.00 0.00 H new ATOM 1588 N PHE A 103 -4.741 -12.447 -6.447 1.00 0.00 N ATOM 1589 CA PHE A 103 -5.819 -13.146 -5.757 1.00 0.00 C ATOM 1590 C PHE A 103 -6.373 -14.277 -6.618 1.00 0.00 C ATOM 1591 O PHE A 103 -7.499 -14.730 -6.418 1.00 0.00 O ATOM 1592 CB PHE A 103 -6.940 -12.169 -5.396 1.00 0.00 C ATOM 1593 CG PHE A 103 -7.342 -11.271 -6.532 1.00 0.00 C ATOM 1594 CD1 PHE A 103 -7.777 -11.806 -7.734 1.00 0.00 C ATOM 1595 CD2 PHE A 103 -7.283 -9.894 -6.397 1.00 0.00 C ATOM 1596 CE1 PHE A 103 -8.148 -10.983 -8.781 1.00 0.00 C ATOM 1597 CE2 PHE A 103 -7.653 -9.066 -7.440 1.00 0.00 C ATOM 1598 CZ PHE A 103 -8.084 -9.611 -8.634 1.00 0.00 C ATOM 0 H PHE A 103 -5.017 -12.008 -7.325 1.00 0.00 H new ATOM 0 HA PHE A 103 -5.412 -13.576 -4.842 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -7.811 -12.734 -5.065 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.619 -11.555 -4.554 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -7.827 -12.878 -7.854 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -6.944 -9.462 -5.467 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -8.487 -11.412 -9.712 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -7.605 -7.994 -7.322 1.00 0.00 H new ATOM 0 HZ PHE A 103 -8.370 -8.965 -9.451 1.00 0.00 H new ATOM 1608 N GLY A 104 -5.572 -14.729 -7.579 1.00 0.00 N ATOM 1609 CA GLY A 104 -5.999 -15.802 -8.457 1.00 0.00 C ATOM 1610 C GLY A 104 -5.005 -16.071 -9.569 1.00 0.00 C ATOM 1611 O GLY A 104 -5.307 -15.860 -10.744 1.00 0.00 O ATOM 0 H GLY A 104 -4.635 -14.371 -7.765 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -6.140 -16.711 -7.873 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.966 -15.549 -8.892 1.00 0.00 H new ATOM 1615 N ILE A 105 -3.817 -16.537 -9.199 1.00 0.00 N ATOM 1616 CA ILE A 105 -2.776 -16.834 -10.175 1.00 0.00 C ATOM 1617 C ILE A 105 -2.114 -18.176 -9.880 1.00 0.00 C ATOM 1618 O ILE A 105 -1.810 -18.944 -10.794 1.00 0.00 O ATOM 1619 CB ILE A 105 -1.697 -15.736 -10.199 1.00 0.00 C ATOM 1620 CG1 ILE A 105 -1.026 -15.620 -8.828 1.00 0.00 C ATOM 1621 CG2 ILE A 105 -2.306 -14.404 -10.611 1.00 0.00 C ATOM 1622 CD1 ILE A 105 -1.960 -15.145 -7.737 1.00 0.00 C ATOM 0 H ILE A 105 -3.552 -16.717 -8.231 1.00 0.00 H new ATOM 0 HA ILE A 105 -3.260 -16.877 -11.151 1.00 0.00 H new ATOM 0 HB ILE A 105 -0.938 -16.009 -10.932 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.618 -16.591 -8.549 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -0.185 -14.930 -8.901 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.531 -13.638 -10.623 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.742 -14.495 -11.606 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -3.082 -14.123 -9.899 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.417 -15.086 -6.794 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.348 -14.160 -7.994 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -2.788 -15.846 -7.636 1.00 0.00 H new