USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 678 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 93 LYS NZ :NH3+ -167:sc= -1 (180deg=0) USER MOD Set 1.2: A 97 GLN :FLIP amide:sc= -6.69! C(o=-11!,f=-7.7!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 165:sc=-0.00254 (180deg=-0.21) USER MOD Single : A 17 GLN :FLIP amide:sc= -11.9! C(o=-15!,f=-12!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -163:sc=-0.00542 (180deg=-0.309) USER MOD Single : A 20 GLN : amide:sc= -1.3 K(o=-1.3,f=-3.3!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl 138:sc= -3.86! (180deg=-8.98!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -0.111 USER MOD Single : A 45 HIS : no HE2:sc= -24.6! C(o=-25!,f=-24!) USER MOD Single : A 46 MET CE :methyl 139:sc= -0.119 (180deg=-2.43!) USER MOD Single : A 47 TYR OH : rot -91:sc= -9.65! USER MOD Single : A 51 LYS NZ :NH3+ 152:sc= -0.0597 (180deg=-0.782) USER MOD Single : A 52 CYS SG : rot 180:sc= -0.0491 USER MOD Single : A 53 GLN : amide:sc= -1.09 K(o=-1.1,f=-3.1!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.175 X(o=-0.18,f=0) USER MOD Single : A 66 GLN : amide:sc= -1.24 X(o=-1.2,f=-1.2) USER MOD Single : A 70 HIS : no HD1:sc= -7.65! C(o=-7.7!,f=-9!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 64:sc= -0.931 USER MOD Single : A 76 ASN : amide:sc= -5.33 K(o=-5.3,f=-11!) USER MOD Single : A 78 HIS : no HE2:sc= -12.2! C(o=-12!,f=-13!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 96 N VAL A 8 -8.417 -6.308 -7.317 1.00 0.00 N ATOM 97 CA VAL A 8 -7.319 -5.569 -6.731 1.00 0.00 C ATOM 98 C VAL A 8 -6.652 -4.712 -7.809 1.00 0.00 C ATOM 99 O VAL A 8 -6.756 -4.978 -8.990 1.00 0.00 O ATOM 100 CB VAL A 8 -6.299 -6.565 -6.112 1.00 0.00 C ATOM 101 CG1 VAL A 8 -6.953 -7.941 -5.921 1.00 0.00 C ATOM 102 CG2 VAL A 8 -5.073 -6.735 -7.023 1.00 0.00 C ATOM 0 HA VAL A 8 -7.689 -4.913 -5.943 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.983 -6.159 -5.151 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.229 -8.631 -5.487 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.810 -7.847 -5.254 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.285 -8.323 -6.886 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.375 -7.437 -6.567 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.391 -7.118 -7.993 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.583 -5.771 -7.157 1.00 0.00 H new ATOM 112 N LEU A 9 -6.018 -3.650 -7.402 1.00 0.00 N ATOM 113 CA LEU A 9 -5.418 -2.753 -8.374 1.00 0.00 C ATOM 114 C LEU A 9 -3.904 -2.997 -8.552 1.00 0.00 C ATOM 115 O LEU A 9 -3.397 -2.815 -9.641 1.00 0.00 O ATOM 116 CB LEU A 9 -5.642 -1.309 -7.920 1.00 0.00 C ATOM 117 CG LEU A 9 -4.809 -0.361 -8.787 1.00 0.00 C ATOM 118 CD1 LEU A 9 -5.104 -0.625 -10.264 1.00 0.00 C ATOM 119 CD2 LEU A 9 -5.169 1.087 -8.447 1.00 0.00 C ATOM 0 H LEU A 9 -5.899 -3.379 -6.426 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.894 -2.943 -9.336 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.699 -1.053 -7.996 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.362 -1.199 -6.872 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.750 -0.529 -8.594 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.510 0.051 -10.880 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.849 -1.656 -10.507 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.163 -0.457 -10.459 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.577 1.763 -9.063 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.229 1.254 -8.641 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.958 1.277 -7.395 1.00 0.00 H new ATOM 131 N LEU A 10 -3.151 -3.400 -7.552 1.00 0.00 N ATOM 132 CA LEU A 10 -1.739 -3.605 -7.822 1.00 0.00 C ATOM 133 C LEU A 10 -1.027 -4.164 -6.597 1.00 0.00 C ATOM 134 O LEU A 10 -1.363 -3.860 -5.472 1.00 0.00 O ATOM 135 CB LEU A 10 -1.098 -2.272 -8.216 1.00 0.00 C ATOM 136 CG LEU A 10 0.423 -2.429 -8.265 1.00 0.00 C ATOM 137 CD1 LEU A 10 0.800 -3.404 -9.382 1.00 0.00 C ATOM 138 CD2 LEU A 10 1.066 -1.067 -8.542 1.00 0.00 C ATOM 0 H LEU A 10 -3.463 -3.584 -6.599 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.643 -4.322 -8.637 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.472 -1.950 -9.188 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.371 -1.499 -7.498 1.00 0.00 H new ATOM 0 HG LEU A 10 0.779 -2.814 -7.310 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.884 -3.516 -9.417 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.341 -4.374 -9.189 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.444 -3.018 -10.337 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.150 -1.177 -8.577 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.709 -0.684 -9.498 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.798 -0.370 -7.748 1.00 0.00 H new ATOM 150 N ILE A 11 -0.032 -4.976 -6.814 1.00 0.00 N ATOM 151 CA ILE A 11 0.700 -5.532 -5.700 1.00 0.00 C ATOM 152 C ILE A 11 2.194 -5.567 -6.030 1.00 0.00 C ATOM 153 O ILE A 11 2.596 -5.891 -7.129 1.00 0.00 O ATOM 154 CB ILE A 11 0.211 -6.955 -5.403 1.00 0.00 C ATOM 155 CG1 ILE A 11 1.284 -7.709 -4.591 1.00 0.00 C ATOM 156 CG2 ILE A 11 -0.071 -7.688 -6.719 1.00 0.00 C ATOM 157 CD1 ILE A 11 2.341 -8.310 -5.526 1.00 0.00 C ATOM 0 H ILE A 11 0.292 -5.268 -7.736 1.00 0.00 H new ATOM 0 HA ILE A 11 0.534 -4.907 -4.823 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.709 -6.911 -4.820 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.759 -7.028 -3.885 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.816 -8.500 -4.005 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.418 -8.699 -6.505 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.838 -7.151 -7.277 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.842 -7.736 -7.312 1.00 0.00 H new ATOM 0 HD11 ILE A 11 3.090 -8.838 -4.936 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.864 -9.007 -6.215 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.822 -7.512 -6.092 1.00 0.00 H new ATOM 169 N VAL A 12 3.011 -5.281 -5.062 1.00 0.00 N ATOM 170 CA VAL A 12 4.442 -5.341 -5.267 1.00 0.00 C ATOM 171 C VAL A 12 4.969 -6.328 -4.237 1.00 0.00 C ATOM 172 O VAL A 12 4.799 -6.143 -3.035 1.00 0.00 O ATOM 173 CB VAL A 12 5.081 -3.964 -5.065 1.00 0.00 C ATOM 174 CG1 VAL A 12 5.318 -3.301 -6.424 1.00 0.00 C ATOM 175 CG2 VAL A 12 4.149 -3.085 -4.240 1.00 0.00 C ATOM 0 H VAL A 12 2.722 -5.004 -4.124 1.00 0.00 H new ATOM 0 HA VAL A 12 4.683 -5.653 -6.283 1.00 0.00 H new ATOM 0 HB VAL A 12 6.031 -4.085 -4.545 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.773 -2.321 -6.277 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.984 -3.924 -7.022 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.367 -3.185 -6.943 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.605 -2.105 -4.097 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.199 -2.971 -4.763 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.975 -3.550 -3.269 1.00 0.00 H new ATOM 185 N LYS A 13 5.553 -7.407 -4.670 1.00 0.00 N ATOM 186 CA LYS A 13 5.979 -8.353 -3.678 1.00 0.00 C ATOM 187 C LYS A 13 6.932 -7.662 -2.737 1.00 0.00 C ATOM 188 O LYS A 13 6.539 -7.203 -1.716 1.00 0.00 O ATOM 189 CB LYS A 13 6.678 -9.534 -4.354 1.00 0.00 C ATOM 190 CG LYS A 13 7.111 -10.549 -3.295 1.00 0.00 C ATOM 191 CD LYS A 13 7.975 -11.631 -3.947 1.00 0.00 C ATOM 192 CE LYS A 13 7.091 -12.558 -4.782 1.00 0.00 C ATOM 193 NZ LYS A 13 7.853 -13.033 -5.971 1.00 0.00 N ATOM 0 H LYS A 13 5.738 -7.648 -5.644 1.00 0.00 H new ATOM 0 HA LYS A 13 5.118 -8.729 -3.125 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.006 -10.006 -5.071 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.546 -9.184 -4.913 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.671 -10.049 -2.505 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.235 -11.000 -2.829 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.736 -11.172 -4.578 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.498 -12.203 -3.181 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.767 -13.408 -4.181 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.191 -12.031 -5.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.252 -13.664 -6.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.141 -12.217 -6.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.699 -13.551 -5.657 1.00 0.00 H new ATOM 207 N LYS A 14 8.163 -7.552 -3.047 1.00 0.00 N ATOM 208 CA LYS A 14 9.052 -6.914 -2.107 1.00 0.00 C ATOM 209 C LYS A 14 8.501 -5.572 -1.619 1.00 0.00 C ATOM 210 O LYS A 14 8.158 -4.691 -2.382 1.00 0.00 O ATOM 211 CB LYS A 14 10.424 -6.716 -2.744 1.00 0.00 C ATOM 212 CG LYS A 14 11.265 -7.995 -2.613 1.00 0.00 C ATOM 213 CD LYS A 14 10.372 -9.237 -2.708 1.00 0.00 C ATOM 214 CE LYS A 14 11.232 -10.493 -2.560 1.00 0.00 C ATOM 215 NZ LYS A 14 11.680 -10.623 -1.145 1.00 0.00 N ATOM 0 H LYS A 14 8.589 -7.879 -3.914 1.00 0.00 H new ATOM 0 HA LYS A 14 9.141 -7.567 -1.239 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.309 -6.455 -3.796 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.939 -5.884 -2.263 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.021 -8.022 -3.398 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.795 -7.993 -1.660 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.610 -9.211 -1.929 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.850 -9.251 -3.665 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.662 -11.374 -2.855 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.096 -10.436 -3.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.041 -11.585 -0.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.435 -9.933 -0.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.877 -10.442 -0.509 1.00 0.00 H new ATOM 229 N VAL A 15 8.574 -5.393 -0.331 1.00 0.00 N ATOM 230 CA VAL A 15 8.238 -4.113 0.246 1.00 0.00 C ATOM 231 C VAL A 15 9.042 -3.948 1.514 1.00 0.00 C ATOM 232 O VAL A 15 9.405 -4.905 2.170 1.00 0.00 O ATOM 233 CB VAL A 15 6.736 -3.927 0.461 1.00 0.00 C ATOM 234 CG1 VAL A 15 6.469 -2.845 1.516 1.00 0.00 C ATOM 235 CG2 VAL A 15 6.146 -3.447 -0.854 1.00 0.00 C ATOM 0 H VAL A 15 8.860 -6.107 0.339 1.00 0.00 H new ATOM 0 HA VAL A 15 8.501 -3.321 -0.455 1.00 0.00 H new ATOM 0 HB VAL A 15 6.297 -4.867 0.794 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.394 -2.729 1.654 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.926 -3.138 2.461 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.897 -1.899 1.183 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.072 -3.303 -0.740 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.611 -2.503 -1.138 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.332 -4.191 -1.629 1.00 0.00 H new ATOM 245 N ARG A 16 9.341 -2.747 1.852 1.00 0.00 N ATOM 246 CA ARG A 16 10.121 -2.506 3.029 1.00 0.00 C ATOM 247 C ARG A 16 9.343 -1.613 3.950 1.00 0.00 C ATOM 248 O ARG A 16 8.817 -0.604 3.560 1.00 0.00 O ATOM 249 CB ARG A 16 11.407 -1.795 2.624 1.00 0.00 C ATOM 250 CG ARG A 16 12.281 -1.543 3.853 1.00 0.00 C ATOM 251 CD ARG A 16 13.217 -2.733 4.082 1.00 0.00 C ATOM 252 NE ARG A 16 13.997 -2.994 2.885 1.00 0.00 N ATOM 253 CZ ARG A 16 15.102 -3.689 2.956 1.00 0.00 C ATOM 254 NH1 ARG A 16 15.520 -4.151 4.105 1.00 0.00 N ATOM 255 NH2 ARG A 16 15.790 -3.924 1.873 1.00 0.00 N ATOM 0 H ARG A 16 9.062 -1.911 1.338 1.00 0.00 H new ATOM 0 HA ARG A 16 10.352 -3.447 3.528 1.00 0.00 H new ATOM 0 HB2 ARG A 16 11.952 -2.399 1.899 1.00 0.00 H new ATOM 0 HB3 ARG A 16 11.170 -0.849 2.137 1.00 0.00 H new ATOM 0 HG2 ARG A 16 12.864 -0.632 3.715 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.653 -1.389 4.731 1.00 0.00 H new ATOM 0 HD2 ARG A 16 13.882 -2.526 4.920 1.00 0.00 H new ATOM 0 HD3 ARG A 16 12.636 -3.617 4.346 1.00 0.00 H new ATOM 0 HE ARG A 16 13.681 -2.633 1.985 1.00 0.00 H new ATOM 0 HH11 ARG A 16 14.983 -3.970 4.953 1.00 0.00 H new ATOM 0 HH12 ARG A 16 16.383 -4.693 4.153 1.00 0.00 H new ATOM 0 HH21 ARG A 16 15.465 -3.566 0.975 1.00 0.00 H new ATOM 0 HH22 ARG A 16 16.653 -4.466 1.924 1.00 0.00 H new ATOM 269 N GLN A 17 9.291 -1.965 5.174 1.00 0.00 N ATOM 270 CA GLN A 17 8.606 -1.147 6.115 1.00 0.00 C ATOM 271 C GLN A 17 9.510 -1.113 7.341 1.00 0.00 C ATOM 272 O GLN A 17 10.057 -2.126 7.728 1.00 0.00 O ATOM 273 CB GLN A 17 7.219 -1.738 6.402 1.00 0.00 C ATOM 274 CG GLN A 17 7.333 -3.223 6.720 1.00 0.00 C ATOM 275 CD GLN A 17 5.993 -3.743 7.252 1.00 0.00 C ATOM 276 OE1 GLN A 17 5.248 -2.975 8.002 1.00 0.00 O flip ATOM 277 NE2 GLN A 17 5.617 -4.865 6.982 1.00 0.00 N flip ATOM 0 H GLN A 17 9.711 -2.812 5.557 1.00 0.00 H new ATOM 0 HA GLN A 17 8.421 -0.134 5.758 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.759 -1.214 7.240 1.00 0.00 H new ATOM 0 HB3 GLN A 17 6.569 -1.593 5.539 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.619 -3.775 5.825 1.00 0.00 H new ATOM 0 HG3 GLN A 17 8.117 -3.387 7.459 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.194 -5.469 6.397 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.724 -5.204 7.340 1.00 0.00 H new ATOM 286 N LYS A 18 9.787 0.057 7.857 1.00 0.00 N ATOM 287 CA LYS A 18 10.759 0.183 8.939 1.00 0.00 C ATOM 288 C LYS A 18 10.693 -1.004 9.907 1.00 0.00 C ATOM 289 O LYS A 18 11.660 -1.303 10.579 1.00 0.00 O ATOM 290 CB LYS A 18 10.491 1.477 9.709 1.00 0.00 C ATOM 291 CG LYS A 18 11.700 2.406 9.579 1.00 0.00 C ATOM 292 CD LYS A 18 11.590 3.536 10.605 1.00 0.00 C ATOM 293 CE LYS A 18 12.984 4.089 10.908 1.00 0.00 C ATOM 294 NZ LYS A 18 13.330 5.139 9.909 1.00 0.00 N ATOM 0 H LYS A 18 9.364 0.935 7.556 1.00 0.00 H new ATOM 0 HA LYS A 18 11.755 0.199 8.496 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.599 1.967 9.319 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.300 1.255 10.759 1.00 0.00 H new ATOM 0 HG2 LYS A 18 12.621 1.845 9.738 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.748 2.819 8.571 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.948 4.329 10.221 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.127 3.167 11.520 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.010 4.507 11.914 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.720 3.286 10.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.278 5.515 10.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.321 4.726 8.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 12.633 5.909 9.960 1.00 0.00 H new ATOM 308 N LYS A 19 9.603 -1.708 9.975 1.00 0.00 N ATOM 309 CA LYS A 19 9.563 -2.847 10.857 1.00 0.00 C ATOM 310 C LYS A 19 10.244 -4.065 10.193 1.00 0.00 C ATOM 311 O LYS A 19 11.064 -4.738 10.786 1.00 0.00 O ATOM 312 CB LYS A 19 8.087 -3.198 11.186 1.00 0.00 C ATOM 313 CG LYS A 19 7.371 -3.845 9.972 1.00 0.00 C ATOM 314 CD LYS A 19 5.905 -4.118 10.305 1.00 0.00 C ATOM 315 CE LYS A 19 5.813 -4.893 11.620 1.00 0.00 C ATOM 316 NZ LYS A 19 6.555 -6.179 11.490 1.00 0.00 N ATOM 0 H LYS A 19 8.749 -1.526 9.448 1.00 0.00 H new ATOM 0 HA LYS A 19 10.096 -2.599 11.775 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.055 -3.881 12.035 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.555 -2.294 11.484 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.438 -3.185 9.107 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.869 -4.776 9.701 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.359 -3.178 10.386 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.439 -4.689 9.502 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.230 -4.300 12.434 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.769 -5.086 11.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.265 -6.826 12.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.342 -6.611 10.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.577 -5.999 11.560 1.00 0.00 H new ATOM 330 N GLN A 20 9.815 -4.399 9.011 1.00 0.00 N ATOM 331 CA GLN A 20 10.285 -5.583 8.330 1.00 0.00 C ATOM 332 C GLN A 20 10.200 -5.387 6.813 1.00 0.00 C ATOM 333 O GLN A 20 9.533 -4.492 6.335 1.00 0.00 O ATOM 334 CB GLN A 20 9.404 -6.754 8.764 1.00 0.00 C ATOM 335 CG GLN A 20 9.662 -7.974 7.878 1.00 0.00 C ATOM 336 CD GLN A 20 9.000 -9.207 8.497 1.00 0.00 C ATOM 337 OE1 GLN A 20 8.715 -9.229 9.678 1.00 0.00 O ATOM 338 NE2 GLN A 20 8.741 -10.242 7.745 1.00 0.00 N ATOM 0 H GLN A 20 9.127 -3.860 8.485 1.00 0.00 H new ATOM 0 HA GLN A 20 11.326 -5.780 8.585 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.607 -7.004 9.805 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.354 -6.469 8.704 1.00 0.00 H new ATOM 0 HG2 GLN A 20 9.266 -7.800 6.878 1.00 0.00 H new ATOM 0 HG3 GLN A 20 10.734 -8.139 7.772 1.00 0.00 H new ATOM 0 HE21 GLN A 20 8.980 -10.225 6.754 1.00 0.00 H new ATOM 0 HE22 GLN A 20 8.300 -11.068 8.149 1.00 0.00 H new ATOM 347 N ASP A 21 10.796 -6.258 6.051 1.00 0.00 N ATOM 348 CA ASP A 21 10.655 -6.150 4.615 1.00 0.00 C ATOM 349 C ASP A 21 9.714 -7.301 4.315 1.00 0.00 C ATOM 350 O ASP A 21 9.862 -8.399 4.815 1.00 0.00 O ATOM 351 CB ASP A 21 11.980 -6.349 3.863 1.00 0.00 C ATOM 352 CG ASP A 21 13.148 -5.853 4.720 1.00 0.00 C ATOM 353 OD1 ASP A 21 12.899 -5.141 5.679 1.00 0.00 O ATOM 354 OD2 ASP A 21 14.273 -6.201 4.405 1.00 0.00 O ATOM 0 H ASP A 21 11.371 -7.033 6.381 1.00 0.00 H new ATOM 0 HA ASP A 21 10.308 -5.165 4.303 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.117 -7.403 3.623 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.956 -5.807 2.918 1.00 0.00 H new ATOM 359 N GLY A 22 8.707 -7.030 3.554 1.00 0.00 N ATOM 360 CA GLY A 22 7.717 -8.034 3.272 1.00 0.00 C ATOM 361 C GLY A 22 6.926 -7.631 2.047 1.00 0.00 C ATOM 362 O GLY A 22 7.079 -6.528 1.548 1.00 0.00 O ATOM 0 H GLY A 22 8.541 -6.125 3.113 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.198 -8.998 3.107 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.050 -8.153 4.126 1.00 0.00 H new ATOM 366 N ALA A 23 6.177 -8.527 1.474 1.00 0.00 N ATOM 367 CA ALA A 23 5.491 -8.175 0.270 1.00 0.00 C ATOM 368 C ALA A 23 4.167 -7.471 0.564 1.00 0.00 C ATOM 369 O ALA A 23 3.409 -7.832 1.442 1.00 0.00 O ATOM 370 CB ALA A 23 5.240 -9.426 -0.573 1.00 0.00 C ATOM 0 H ALA A 23 6.029 -9.479 1.809 1.00 0.00 H new ATOM 0 HA ALA A 23 6.123 -7.482 -0.285 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.717 -9.149 -1.488 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.193 -9.891 -0.826 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.631 -10.130 -0.006 1.00 0.00 H new ATOM 376 N LEU A 24 3.963 -6.399 -0.155 1.00 0.00 N ATOM 377 CA LEU A 24 2.796 -5.569 0.060 1.00 0.00 C ATOM 378 C LEU A 24 1.824 -5.724 -1.114 1.00 0.00 C ATOM 379 O LEU A 24 2.207 -5.711 -2.270 1.00 0.00 O ATOM 380 CB LEU A 24 3.250 -4.110 0.150 1.00 0.00 C ATOM 381 CG LEU A 24 2.935 -3.516 1.513 1.00 0.00 C ATOM 382 CD1 LEU A 24 3.040 -1.995 1.405 1.00 0.00 C ATOM 383 CD2 LEU A 24 1.521 -3.891 1.948 1.00 0.00 C ATOM 0 H LEU A 24 4.586 -6.076 -0.895 1.00 0.00 H new ATOM 0 HA LEU A 24 2.293 -5.869 0.980 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.322 -4.048 -0.037 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.757 -3.525 -0.627 1.00 0.00 H new ATOM 0 HG LEU A 24 3.638 -3.903 2.250 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.818 -1.545 2.373 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.050 -1.721 1.101 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.327 -1.633 0.664 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.314 -3.457 2.926 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.804 -3.509 1.222 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.434 -4.976 2.007 1.00 0.00 H new ATOM 395 N TYR A 25 0.565 -5.867 -0.809 1.00 0.00 N ATOM 396 CA TYR A 25 -0.445 -6.020 -1.840 1.00 0.00 C ATOM 397 C TYR A 25 -1.383 -4.821 -1.777 1.00 0.00 C ATOM 398 O TYR A 25 -1.730 -4.367 -0.705 1.00 0.00 O ATOM 399 CB TYR A 25 -1.275 -7.272 -1.546 1.00 0.00 C ATOM 400 CG TYR A 25 -0.741 -8.463 -2.296 1.00 0.00 C ATOM 401 CD1 TYR A 25 0.381 -9.147 -1.817 1.00 0.00 C ATOM 402 CD2 TYR A 25 -1.386 -8.898 -3.459 1.00 0.00 C ATOM 403 CE1 TYR A 25 0.862 -10.269 -2.500 1.00 0.00 C ATOM 404 CE2 TYR A 25 -0.905 -10.020 -4.147 1.00 0.00 C ATOM 405 CZ TYR A 25 0.219 -10.708 -3.666 1.00 0.00 C ATOM 406 OH TYR A 25 0.692 -11.814 -4.341 1.00 0.00 O ATOM 0 H TYR A 25 0.204 -5.882 0.145 1.00 0.00 H new ATOM 0 HA TYR A 25 0.033 -6.097 -2.817 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.263 -7.477 -0.476 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.314 -7.098 -1.826 1.00 0.00 H new ATOM 0 HD1 TYR A 25 0.876 -8.809 -0.919 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.254 -8.370 -3.826 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.728 -10.797 -2.129 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.399 -10.355 -5.047 1.00 0.00 H new ATOM 0 HH TYR A 25 0.131 -11.983 -5.127 1.00 0.00 H new ATOM 416 N LEU A 26 -1.836 -4.308 -2.887 1.00 0.00 N ATOM 417 CA LEU A 26 -2.757 -3.194 -2.826 1.00 0.00 C ATOM 418 C LEU A 26 -4.046 -3.641 -3.520 1.00 0.00 C ATOM 419 O LEU A 26 -4.014 -4.261 -4.574 1.00 0.00 O ATOM 420 CB LEU A 26 -2.139 -1.959 -3.515 1.00 0.00 C ATOM 421 CG LEU A 26 -3.195 -1.196 -4.326 1.00 0.00 C ATOM 422 CD1 LEU A 26 -4.238 -0.601 -3.378 1.00 0.00 C ATOM 423 CD2 LEU A 26 -2.519 -0.069 -5.110 1.00 0.00 C ATOM 0 H LEU A 26 -1.594 -4.629 -3.825 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.970 -2.908 -1.796 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.705 -1.299 -2.764 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.327 -2.273 -4.172 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.684 -1.881 -5.019 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.987 -0.059 -3.955 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.720 -1.402 -2.819 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.750 0.083 -2.684 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.268 0.474 -5.686 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.030 0.615 -4.416 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.776 -0.491 -5.787 1.00 0.00 H new ATOM 435 N MET A 27 -5.175 -3.306 -2.961 1.00 0.00 N ATOM 436 CA MET A 27 -6.426 -3.682 -3.566 1.00 0.00 C ATOM 437 C MET A 27 -7.423 -2.559 -3.320 1.00 0.00 C ATOM 438 O MET A 27 -7.408 -1.942 -2.271 1.00 0.00 O ATOM 439 CB MET A 27 -6.931 -4.964 -2.908 1.00 0.00 C ATOM 440 CG MET A 27 -8.398 -5.184 -3.274 1.00 0.00 C ATOM 441 SD MET A 27 -8.738 -6.959 -3.394 1.00 0.00 S ATOM 442 CE MET A 27 -7.726 -7.489 -1.991 1.00 0.00 C ATOM 0 H MET A 27 -5.257 -2.777 -2.093 1.00 0.00 H new ATOM 0 HA MET A 27 -6.303 -3.851 -4.636 1.00 0.00 H new ATOM 0 HB2 MET A 27 -6.332 -5.814 -3.236 1.00 0.00 H new ATOM 0 HB3 MET A 27 -6.822 -4.897 -1.826 1.00 0.00 H new ATOM 0 HG2 MET A 27 -9.043 -4.731 -2.521 1.00 0.00 H new ATOM 0 HG3 MET A 27 -8.623 -4.696 -4.222 1.00 0.00 H new ATOM 0 HE1 MET A 27 -8.264 -8.246 -1.420 1.00 0.00 H new ATOM 0 HE2 MET A 27 -6.789 -7.908 -2.356 1.00 0.00 H new ATOM 0 HE3 MET A 27 -7.515 -6.633 -1.350 1.00 0.00 H new ATOM 452 N ALA A 28 -8.292 -2.298 -4.268 1.00 0.00 N ATOM 453 CA ALA A 28 -9.276 -1.237 -4.105 1.00 0.00 C ATOM 454 C ALA A 28 -9.736 -1.198 -2.649 1.00 0.00 C ATOM 455 O ALA A 28 -9.873 -0.151 -2.047 1.00 0.00 O ATOM 456 CB ALA A 28 -10.478 -1.534 -5.009 1.00 0.00 C ATOM 0 H ALA A 28 -8.344 -2.797 -5.156 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.837 -0.276 -4.375 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.222 -0.746 -4.895 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -10.150 -1.577 -6.048 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.917 -2.491 -4.727 1.00 0.00 H new ATOM 462 N GLU A 29 -10.050 -2.336 -2.119 1.00 0.00 N ATOM 463 CA GLU A 29 -10.577 -2.371 -0.777 1.00 0.00 C ATOM 464 C GLU A 29 -9.475 -2.389 0.280 1.00 0.00 C ATOM 465 O GLU A 29 -9.681 -1.880 1.359 1.00 0.00 O ATOM 466 CB GLU A 29 -11.428 -3.621 -0.602 1.00 0.00 C ATOM 467 CG GLU A 29 -12.520 -3.357 0.435 1.00 0.00 C ATOM 468 CD GLU A 29 -13.768 -2.813 -0.261 1.00 0.00 C ATOM 469 OE1 GLU A 29 -14.486 -3.604 -0.851 1.00 0.00 O ATOM 470 OE2 GLU A 29 -13.986 -1.614 -0.194 1.00 0.00 O ATOM 0 H GLU A 29 -9.956 -3.242 -2.577 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.168 -1.466 -0.639 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.877 -3.904 -1.554 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.804 -4.456 -0.284 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.760 -4.277 0.967 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.165 -2.643 1.178 1.00 0.00 H new ATOM 477 N ARG A 30 -8.328 -2.959 0.043 1.00 0.00 N ATOM 478 CA ARG A 30 -7.340 -2.955 1.118 1.00 0.00 C ATOM 479 C ARG A 30 -5.924 -3.238 0.638 1.00 0.00 C ATOM 480 O ARG A 30 -5.682 -3.724 -0.449 1.00 0.00 O ATOM 481 CB ARG A 30 -7.660 -4.039 2.154 1.00 0.00 C ATOM 482 CG ARG A 30 -7.402 -5.419 1.552 1.00 0.00 C ATOM 483 CD ARG A 30 -8.723 -6.170 1.421 1.00 0.00 C ATOM 484 NE ARG A 30 -9.272 -5.951 0.095 1.00 0.00 N ATOM 485 CZ ARG A 30 -10.262 -6.696 -0.331 1.00 0.00 C ATOM 486 NH1 ARG A 30 -10.715 -7.671 0.412 1.00 0.00 N ATOM 487 NH2 ARG A 30 -10.802 -6.471 -1.497 1.00 0.00 N ATOM 0 H ARG A 30 -8.050 -3.412 -0.828 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.391 -1.951 1.539 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -7.045 -3.899 3.043 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.700 -3.958 2.470 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.929 -5.319 0.575 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.713 -5.980 2.183 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.567 -7.235 1.591 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.426 -5.826 2.179 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.888 -5.219 -0.503 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.298 -7.853 1.325 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.486 -8.250 0.079 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.454 -5.712 -2.082 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.572 -7.054 -1.823 1.00 0.00 H new ATOM 501 N ILE A 31 -4.999 -2.970 1.513 1.00 0.00 N ATOM 502 CA ILE A 31 -3.600 -3.243 1.234 1.00 0.00 C ATOM 503 C ILE A 31 -3.195 -4.428 2.117 1.00 0.00 C ATOM 504 O ILE A 31 -3.488 -4.451 3.290 1.00 0.00 O ATOM 505 CB ILE A 31 -2.751 -2.002 1.554 1.00 0.00 C ATOM 506 CG1 ILE A 31 -2.543 -1.211 0.265 1.00 0.00 C ATOM 507 CG2 ILE A 31 -1.379 -2.405 2.118 1.00 0.00 C ATOM 508 CD1 ILE A 31 -1.478 -0.141 0.490 1.00 0.00 C ATOM 0 H ILE A 31 -5.178 -2.562 2.430 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.442 -3.482 0.182 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.270 -1.401 2.301 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.237 -1.880 -0.539 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.480 -0.747 -0.045 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.798 -1.509 2.336 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.517 -2.980 3.034 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.848 -3.012 1.385 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.329 0.424 -0.430 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.802 0.534 1.282 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.541 -0.616 0.780 1.00 0.00 H new ATOM 520 N ALA A 32 -2.553 -5.419 1.564 1.00 0.00 N ATOM 521 CA ALA A 32 -2.188 -6.582 2.366 1.00 0.00 C ATOM 522 C ALA A 32 -0.680 -6.717 2.491 1.00 0.00 C ATOM 523 O ALA A 32 0.076 -6.225 1.679 1.00 0.00 O ATOM 524 CB ALA A 32 -2.754 -7.843 1.715 1.00 0.00 C ATOM 0 H ALA A 32 -2.271 -5.458 0.585 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.604 -6.451 3.365 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.483 -8.714 2.312 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.840 -7.767 1.657 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.344 -7.950 0.711 1.00 0.00 H new ATOM 530 N TRP A 33 -0.239 -7.394 3.516 1.00 0.00 N ATOM 531 CA TRP A 33 1.179 -7.577 3.708 1.00 0.00 C ATOM 532 C TRP A 33 1.471 -9.052 3.937 1.00 0.00 C ATOM 533 O TRP A 33 0.772 -9.723 4.659 1.00 0.00 O ATOM 534 CB TRP A 33 1.646 -6.799 4.926 1.00 0.00 C ATOM 535 CG TRP A 33 3.127 -6.807 4.939 1.00 0.00 C ATOM 536 CD1 TRP A 33 3.893 -6.515 3.871 1.00 0.00 C ATOM 537 CD2 TRP A 33 4.050 -7.146 6.018 1.00 0.00 C ATOM 538 NE1 TRP A 33 5.211 -6.563 4.258 1.00 0.00 N ATOM 539 CE2 TRP A 33 5.362 -6.973 5.540 1.00 0.00 C ATOM 540 CE3 TRP A 33 3.892 -7.561 7.348 1.00 0.00 C ATOM 541 CZ2 TRP A 33 6.476 -7.194 6.326 1.00 0.00 C ATOM 542 CZ3 TRP A 33 5.017 -7.807 8.148 1.00 0.00 C ATOM 543 CH2 TRP A 33 6.310 -7.620 7.636 1.00 0.00 C ATOM 0 H TRP A 33 -0.831 -7.825 4.226 1.00 0.00 H new ATOM 0 HA TRP A 33 1.702 -7.219 2.821 1.00 0.00 H new ATOM 0 HB2 TRP A 33 1.272 -5.776 4.890 1.00 0.00 H new ATOM 0 HB3 TRP A 33 1.255 -7.250 5.838 1.00 0.00 H new ATOM 0 HD1 TRP A 33 3.533 -6.283 2.880 1.00 0.00 H new ATOM 0 HE1 TRP A 33 5.990 -6.317 3.647 1.00 0.00 H new ATOM 0 HE3 TRP A 33 2.901 -7.692 7.757 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 7.466 -7.037 5.925 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 4.887 -8.143 9.166 1.00 0.00 H new ATOM 0 HH2 TRP A 33 7.172 -7.807 8.259 1.00 0.00 H new ATOM 554 N ALA A 34 2.502 -9.557 3.336 1.00 0.00 N ATOM 555 CA ALA A 34 2.834 -10.956 3.525 1.00 0.00 C ATOM 556 C ALA A 34 4.340 -11.187 3.354 1.00 0.00 C ATOM 557 O ALA A 34 4.983 -10.513 2.575 1.00 0.00 O ATOM 558 CB ALA A 34 2.059 -11.804 2.525 1.00 0.00 C ATOM 0 H ALA A 34 3.127 -9.041 2.717 1.00 0.00 H new ATOM 0 HA ALA A 34 2.558 -11.246 4.539 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.309 -12.855 2.668 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.989 -11.662 2.679 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.323 -11.503 1.511 1.00 0.00 H new ATOM 564 N PRO A 35 4.853 -12.154 4.077 1.00 0.00 N ATOM 565 CA PRO A 35 6.298 -12.451 3.945 1.00 0.00 C ATOM 566 C PRO A 35 6.490 -13.700 3.078 1.00 0.00 C ATOM 567 O PRO A 35 5.631 -14.062 2.299 1.00 0.00 O ATOM 568 CB PRO A 35 6.805 -12.710 5.369 1.00 0.00 C ATOM 569 CG PRO A 35 5.596 -12.603 6.320 1.00 0.00 C ATOM 570 CD PRO A 35 4.365 -12.263 5.471 1.00 0.00 C ATOM 0 HA PRO A 35 6.841 -11.632 3.473 1.00 0.00 H new ATOM 0 HB2 PRO A 35 7.262 -13.697 5.439 1.00 0.00 H new ATOM 0 HB3 PRO A 35 7.572 -11.984 5.641 1.00 0.00 H new ATOM 0 HG2 PRO A 35 5.445 -13.541 6.854 1.00 0.00 H new ATOM 0 HG3 PRO A 35 5.767 -11.832 7.071 1.00 0.00 H new ATOM 0 HD2 PRO A 35 3.603 -13.038 5.559 1.00 0.00 H new ATOM 0 HD3 PRO A 35 3.909 -11.329 5.800 1.00 0.00 H new ATOM 678 N THR A 42 -0.331 -11.618 5.525 1.00 0.00 N ATOM 679 CA THR A 42 -0.081 -11.387 6.925 1.00 0.00 C ATOM 680 C THR A 42 -1.125 -10.376 7.428 1.00 0.00 C ATOM 681 O THR A 42 -1.633 -10.477 8.527 1.00 0.00 O ATOM 682 CB THR A 42 1.371 -10.870 7.093 1.00 0.00 C ATOM 683 OG1 THR A 42 1.905 -11.366 8.311 1.00 0.00 O ATOM 684 CG2 THR A 42 1.447 -9.339 7.102 1.00 0.00 C ATOM 0 HA THR A 42 -0.173 -12.299 7.514 1.00 0.00 H new ATOM 0 HB THR A 42 1.948 -11.227 6.240 1.00 0.00 H new ATOM 0 HG1 THR A 42 2.824 -11.043 8.421 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.484 -9.027 7.222 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.058 -8.950 6.161 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.853 -8.950 7.929 1.00 0.00 H new ATOM 692 N ILE A 43 -1.429 -9.397 6.619 1.00 0.00 N ATOM 693 CA ILE A 43 -2.398 -8.396 7.032 1.00 0.00 C ATOM 694 C ILE A 43 -3.133 -7.809 5.832 1.00 0.00 C ATOM 695 O ILE A 43 -2.829 -8.098 4.691 1.00 0.00 O ATOM 696 CB ILE A 43 -1.694 -7.272 7.795 1.00 0.00 C ATOM 697 CG1 ILE A 43 -0.654 -6.614 6.890 1.00 0.00 C ATOM 698 CG2 ILE A 43 -1.000 -7.848 9.031 1.00 0.00 C ATOM 699 CD1 ILE A 43 -0.987 -5.131 6.723 1.00 0.00 C ATOM 0 H ILE A 43 -1.034 -9.264 5.688 1.00 0.00 H new ATOM 0 HA ILE A 43 -3.127 -8.883 7.679 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.430 -6.530 8.104 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.341 -6.728 7.320 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.640 -7.106 5.917 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.499 -7.046 9.574 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.741 -8.317 9.679 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.265 -8.592 8.722 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.245 -4.662 6.077 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.975 -5.028 6.274 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.979 -4.644 7.698 1.00 0.00 H new ATOM 711 N SER A 44 -4.095 -6.966 6.100 1.00 0.00 N ATOM 712 CA SER A 44 -4.852 -6.336 5.042 1.00 0.00 C ATOM 713 C SER A 44 -5.509 -5.076 5.619 1.00 0.00 C ATOM 714 O SER A 44 -6.163 -5.131 6.641 1.00 0.00 O ATOM 715 CB SER A 44 -5.931 -7.297 4.540 1.00 0.00 C ATOM 716 OG SER A 44 -7.152 -7.027 5.216 1.00 0.00 O ATOM 0 H SER A 44 -4.376 -6.697 7.043 1.00 0.00 H new ATOM 0 HA SER A 44 -4.200 -6.077 4.208 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.064 -7.182 3.464 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.625 -8.329 4.715 1.00 0.00 H new ATOM 0 HG SER A 44 -7.846 -7.640 4.895 1.00 0.00 H new ATOM 722 N HIS A 45 -5.345 -3.940 4.992 1.00 0.00 N ATOM 723 CA HIS A 45 -5.955 -2.741 5.534 1.00 0.00 C ATOM 724 C HIS A 45 -7.101 -2.323 4.637 1.00 0.00 C ATOM 725 O HIS A 45 -6.883 -1.781 3.571 1.00 0.00 O ATOM 726 CB HIS A 45 -4.988 -1.549 5.579 1.00 0.00 C ATOM 727 CG HIS A 45 -3.547 -1.938 5.355 1.00 0.00 C ATOM 728 ND1 HIS A 45 -2.580 -0.988 5.061 1.00 0.00 N ATOM 729 CD2 HIS A 45 -2.885 -3.135 5.398 1.00 0.00 C ATOM 730 CE1 HIS A 45 -1.403 -1.626 4.944 1.00 0.00 C ATOM 731 NE2 HIS A 45 -1.532 -2.938 5.140 1.00 0.00 N ATOM 0 H HIS A 45 -4.812 -3.814 4.131 1.00 0.00 H new ATOM 0 HA HIS A 45 -6.273 -2.985 6.548 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.283 -0.823 4.821 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -5.077 -1.055 6.546 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -2.734 0.014 4.953 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.345 -4.091 5.602 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -0.467 -1.136 4.719 1.00 0.00 H new ATOM 739 N MET A 46 -8.315 -2.550 5.046 1.00 0.00 N ATOM 740 CA MET A 46 -9.419 -2.142 4.217 1.00 0.00 C ATOM 741 C MET A 46 -9.409 -0.624 4.141 1.00 0.00 C ATOM 742 O MET A 46 -9.757 0.040 5.079 1.00 0.00 O ATOM 743 CB MET A 46 -10.737 -2.613 4.823 1.00 0.00 C ATOM 744 CG MET A 46 -11.565 -3.332 3.757 1.00 0.00 C ATOM 745 SD MET A 46 -12.402 -4.754 4.500 1.00 0.00 S ATOM 746 CE MET A 46 -10.996 -5.893 4.457 1.00 0.00 C ATOM 0 H MET A 46 -8.566 -3.003 5.925 1.00 0.00 H new ATOM 0 HA MET A 46 -9.321 -2.580 3.223 1.00 0.00 H new ATOM 0 HB2 MET A 46 -10.545 -3.283 5.661 1.00 0.00 H new ATOM 0 HB3 MET A 46 -11.293 -1.762 5.216 1.00 0.00 H new ATOM 0 HG2 MET A 46 -12.298 -2.648 3.328 1.00 0.00 H new ATOM 0 HG3 MET A 46 -10.921 -3.661 2.942 1.00 0.00 H new ATOM 0 HE1 MET A 46 -10.963 -6.465 5.384 1.00 0.00 H new ATOM 0 HE2 MET A 46 -11.106 -6.575 3.614 1.00 0.00 H new ATOM 0 HE3 MET A 46 -10.072 -5.326 4.347 1.00 0.00 H new ATOM 756 N TYR A 47 -8.961 -0.089 3.045 1.00 0.00 N ATOM 757 CA TYR A 47 -8.865 1.355 2.897 1.00 0.00 C ATOM 758 C TYR A 47 -9.981 2.091 3.678 1.00 0.00 C ATOM 759 O TYR A 47 -9.728 3.101 4.302 1.00 0.00 O ATOM 760 CB TYR A 47 -8.892 1.711 1.404 1.00 0.00 C ATOM 761 CG TYR A 47 -7.481 1.559 0.853 1.00 0.00 C ATOM 762 CD1 TYR A 47 -6.607 0.606 1.406 1.00 0.00 C ATOM 763 CD2 TYR A 47 -7.024 2.394 -0.176 1.00 0.00 C ATOM 764 CE1 TYR A 47 -5.298 0.492 0.925 1.00 0.00 C ATOM 765 CE2 TYR A 47 -5.716 2.285 -0.645 1.00 0.00 C ATOM 766 CZ TYR A 47 -4.852 1.334 -0.098 1.00 0.00 C ATOM 767 OH TYR A 47 -3.557 1.232 -0.562 1.00 0.00 O ATOM 0 H TYR A 47 -8.653 -0.621 2.231 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.921 1.690 3.327 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.581 1.057 0.870 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.247 2.732 1.263 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.947 -0.039 2.203 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -7.690 3.126 -0.608 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.632 -0.247 1.344 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.370 2.937 -1.433 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.979 1.839 -0.054 1.00 0.00 H new ATOM 777 N ALA A 48 -11.194 1.592 3.701 1.00 0.00 N ATOM 778 CA ALA A 48 -12.232 2.278 4.472 1.00 0.00 C ATOM 779 C ALA A 48 -11.898 2.144 5.965 1.00 0.00 C ATOM 780 O ALA A 48 -11.912 3.099 6.716 1.00 0.00 O ATOM 781 CB ALA A 48 -13.593 1.641 4.183 1.00 0.00 C ATOM 0 H ALA A 48 -11.491 0.745 3.217 1.00 0.00 H new ATOM 0 HA ALA A 48 -12.272 3.331 4.194 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -14.364 2.153 4.758 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -13.816 1.727 3.120 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -13.569 0.588 4.465 1.00 0.00 H new ATOM 787 N ASP A 49 -11.555 0.954 6.368 1.00 0.00 N ATOM 788 CA ASP A 49 -11.168 0.703 7.748 1.00 0.00 C ATOM 789 C ASP A 49 -9.858 1.451 8.055 1.00 0.00 C ATOM 790 O ASP A 49 -9.409 1.499 9.183 1.00 0.00 O ATOM 791 CB ASP A 49 -10.969 -0.798 7.968 1.00 0.00 C ATOM 792 CG ASP A 49 -12.281 -1.533 7.689 1.00 0.00 C ATOM 793 OD1 ASP A 49 -13.205 -0.895 7.213 1.00 0.00 O ATOM 794 OD2 ASP A 49 -12.340 -2.722 7.958 1.00 0.00 O ATOM 0 H ASP A 49 -11.532 0.131 5.766 1.00 0.00 H new ATOM 0 HA ASP A 49 -11.955 1.058 8.414 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.184 -1.172 7.311 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.645 -0.986 8.991 1.00 0.00 H new ATOM 799 N ILE A 50 -9.261 2.063 7.061 1.00 0.00 N ATOM 800 CA ILE A 50 -8.043 2.813 7.302 1.00 0.00 C ATOM 801 C ILE A 50 -8.279 4.256 6.855 1.00 0.00 C ATOM 802 O ILE A 50 -8.478 4.488 5.679 1.00 0.00 O ATOM 803 CB ILE A 50 -6.866 2.252 6.487 1.00 0.00 C ATOM 804 CG1 ILE A 50 -7.250 0.948 5.792 1.00 0.00 C ATOM 805 CG2 ILE A 50 -5.693 1.986 7.419 1.00 0.00 C ATOM 806 CD1 ILE A 50 -7.641 -0.091 6.843 1.00 0.00 C ATOM 0 H ILE A 50 -9.587 2.061 6.094 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.798 2.747 8.362 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.594 2.985 5.728 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -8.080 1.119 5.107 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -6.415 0.581 5.195 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.856 1.588 6.846 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.393 2.916 7.901 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.989 1.263 8.179 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -7.916 -1.023 6.349 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.798 -0.269 7.510 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.489 0.277 7.420 1.00 0.00 H new ATOM 818 N LYS A 51 -8.239 5.255 7.718 1.00 0.00 N ATOM 819 CA LYS A 51 -8.444 6.576 7.160 1.00 0.00 C ATOM 820 C LYS A 51 -7.481 7.617 7.711 1.00 0.00 C ATOM 821 O LYS A 51 -7.659 8.190 8.767 1.00 0.00 O ATOM 822 CB LYS A 51 -9.851 7.070 7.440 1.00 0.00 C ATOM 823 CG LYS A 51 -10.001 8.440 6.772 1.00 0.00 C ATOM 824 CD LYS A 51 -9.496 8.374 5.324 1.00 0.00 C ATOM 825 CE LYS A 51 -9.776 9.704 4.622 1.00 0.00 C ATOM 826 NZ LYS A 51 -8.486 10.370 4.285 1.00 0.00 N ATOM 0 H LYS A 51 -8.081 5.192 8.724 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.269 6.464 6.090 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -10.588 6.370 7.047 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.024 7.146 8.514 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.046 8.749 6.788 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.438 9.189 7.329 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.427 8.162 5.310 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.989 7.560 4.793 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.357 9.534 3.716 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -10.373 10.349 5.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.615 10.972 3.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.177 10.955 5.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.765 9.648 4.085 1.00 0.00 H new ATOM 840 N CYS A 52 -6.524 7.914 6.904 1.00 0.00 N ATOM 841 CA CYS A 52 -5.557 8.947 7.156 1.00 0.00 C ATOM 842 C CYS A 52 -4.536 8.798 6.052 1.00 0.00 C ATOM 843 O CYS A 52 -4.118 7.690 5.769 1.00 0.00 O ATOM 844 CB CYS A 52 -4.908 8.819 8.518 1.00 0.00 C ATOM 845 SG CYS A 52 -4.227 10.423 9.009 1.00 0.00 S ATOM 0 H CYS A 52 -6.380 7.433 6.016 1.00 0.00 H new ATOM 0 HA CYS A 52 -6.027 9.930 7.163 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -5.640 8.482 9.252 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.118 8.069 8.488 1.00 0.00 H new ATOM 0 HG CYS A 52 -3.671 10.318 10.179 1.00 0.00 H new ATOM 851 N GLN A 53 -4.162 9.829 5.382 1.00 0.00 N ATOM 852 CA GLN A 53 -3.248 9.593 4.288 1.00 0.00 C ATOM 853 C GLN A 53 -2.218 10.691 4.141 1.00 0.00 C ATOM 854 O GLN A 53 -2.504 11.869 4.049 1.00 0.00 O ATOM 855 CB GLN A 53 -4.041 9.491 2.987 1.00 0.00 C ATOM 856 CG GLN A 53 -4.815 8.174 2.958 1.00 0.00 C ATOM 857 CD GLN A 53 -3.921 7.067 2.399 1.00 0.00 C ATOM 858 OE1 GLN A 53 -2.718 7.101 2.560 1.00 0.00 O ATOM 859 NE2 GLN A 53 -4.465 6.077 1.744 1.00 0.00 N ATOM 0 H GLN A 53 -4.445 10.795 5.545 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.717 8.666 4.504 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.730 10.331 2.903 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.366 9.546 2.133 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -5.148 7.914 3.963 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -5.709 8.279 2.343 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.476 6.049 1.609 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -3.879 5.332 1.367 1.00 0.00 H new ATOM 868 N LYS A 54 -0.999 10.248 4.106 1.00 0.00 N ATOM 869 CA LYS A 54 0.133 11.116 3.955 1.00 0.00 C ATOM 870 C LYS A 54 1.085 10.418 2.981 1.00 0.00 C ATOM 871 O LYS A 54 1.642 9.383 3.287 1.00 0.00 O ATOM 872 CB LYS A 54 0.798 11.286 5.332 1.00 0.00 C ATOM 873 CG LYS A 54 2.312 11.470 5.184 1.00 0.00 C ATOM 874 CD LYS A 54 2.807 12.487 6.214 1.00 0.00 C ATOM 875 CE LYS A 54 2.887 13.871 5.566 1.00 0.00 C ATOM 876 NZ LYS A 54 3.112 14.900 6.620 1.00 0.00 N ATOM 0 H LYS A 54 -0.757 9.260 4.182 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.142 12.101 3.578 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.370 12.148 5.844 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.592 10.413 5.951 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.820 10.516 5.326 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.551 11.811 4.177 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.132 12.513 7.069 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.787 12.192 6.590 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.698 13.897 4.838 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.965 14.085 5.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.167 15.841 6.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.324 14.880 7.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.003 14.698 7.118 1.00 0.00 H new ATOM 988 N LYS A 62 12.731 7.146 -1.206 1.00 0.00 N ATOM 989 CA LYS A 62 12.495 6.312 -2.370 1.00 0.00 C ATOM 990 C LYS A 62 11.118 5.667 -2.302 1.00 0.00 C ATOM 991 O LYS A 62 11.071 4.471 -2.321 1.00 0.00 O ATOM 992 CB LYS A 62 13.509 5.162 -2.488 1.00 0.00 C ATOM 993 CG LYS A 62 13.873 4.646 -1.096 1.00 0.00 C ATOM 994 CD LYS A 62 14.993 5.476 -0.482 1.00 0.00 C ATOM 995 CE LYS A 62 16.120 4.552 -0.018 1.00 0.00 C ATOM 996 NZ LYS A 62 17.307 5.367 0.359 1.00 0.00 N ATOM 0 HA LYS A 62 12.587 6.977 -3.228 1.00 0.00 H new ATOM 0 HB2 LYS A 62 13.088 4.354 -3.086 1.00 0.00 H new ATOM 0 HB3 LYS A 62 14.405 5.507 -3.004 1.00 0.00 H new ATOM 0 HG2 LYS A 62 12.995 4.679 -0.451 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.182 3.603 -1.160 1.00 0.00 H new ATOM 0 HD2 LYS A 62 15.372 6.191 -1.212 1.00 0.00 H new ATOM 0 HD3 LYS A 62 14.612 6.053 0.360 1.00 0.00 H new ATOM 0 HE2 LYS A 62 15.789 3.957 0.833 1.00 0.00 H new ATOM 0 HE3 LYS A 62 16.383 3.854 -0.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 18.073 4.739 0.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 17.626 5.916 -0.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 17.052 6.016 1.130 1.00 0.00 H new ATOM 1010 N ILE A 63 10.015 6.391 -2.167 1.00 0.00 N ATOM 1011 CA ILE A 63 8.671 5.806 -2.080 1.00 0.00 C ATOM 1012 C ILE A 63 8.326 5.251 -0.693 1.00 0.00 C ATOM 1013 O ILE A 63 8.360 4.065 -0.431 1.00 0.00 O ATOM 1014 CB ILE A 63 8.258 4.865 -3.248 1.00 0.00 C ATOM 1015 CG1 ILE A 63 6.906 4.217 -2.915 1.00 0.00 C ATOM 1016 CG2 ILE A 63 9.270 3.767 -3.550 1.00 0.00 C ATOM 1017 CD1 ILE A 63 5.792 4.949 -3.659 1.00 0.00 C ATOM 0 H ILE A 63 10.021 7.410 -2.114 1.00 0.00 H new ATOM 0 HA ILE A 63 8.024 6.671 -2.224 1.00 0.00 H new ATOM 0 HB ILE A 63 8.201 5.489 -4.140 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.916 3.164 -3.198 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.727 4.256 -1.841 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.907 3.155 -4.376 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.224 4.217 -3.823 1.00 0.00 H new ATOM 0 HG23 ILE A 63 9.403 3.142 -2.667 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.833 4.489 -3.422 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.777 5.995 -3.354 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.969 4.886 -4.733 1.00 0.00 H new ATOM 1029 N GLN A 64 7.936 6.163 0.175 1.00 0.00 N ATOM 1030 CA GLN A 64 7.514 5.814 1.527 1.00 0.00 C ATOM 1031 C GLN A 64 6.102 6.382 1.748 1.00 0.00 C ATOM 1032 O GLN A 64 5.852 7.538 1.475 1.00 0.00 O ATOM 1033 CB GLN A 64 8.472 6.423 2.555 1.00 0.00 C ATOM 1034 CG GLN A 64 8.227 7.931 2.664 1.00 0.00 C ATOM 1035 CD GLN A 64 9.510 8.626 3.125 1.00 0.00 C ATOM 1036 OE1 GLN A 64 9.825 9.708 2.673 1.00 0.00 O ATOM 1037 NE2 GLN A 64 10.269 8.044 4.014 1.00 0.00 N ATOM 0 H GLN A 64 7.901 7.162 -0.030 1.00 0.00 H new ATOM 0 HA GLN A 64 7.518 4.731 1.647 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.326 5.951 3.526 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.504 6.233 2.261 1.00 0.00 H new ATOM 0 HG2 GLN A 64 7.912 8.329 1.700 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.420 8.129 3.370 1.00 0.00 H new ATOM 0 HE21 GLN A 64 10.005 7.135 4.394 1.00 0.00 H new ATOM 0 HE22 GLN A 64 11.126 8.498 4.329 1.00 0.00 H new ATOM 1046 N LEU A 65 5.169 5.602 2.235 1.00 0.00 N ATOM 1047 CA LEU A 65 3.833 6.148 2.424 1.00 0.00 C ATOM 1048 C LEU A 65 3.333 5.930 3.866 1.00 0.00 C ATOM 1049 O LEU A 65 3.869 5.124 4.608 1.00 0.00 O ATOM 1050 CB LEU A 65 2.847 5.534 1.403 1.00 0.00 C ATOM 1051 CG LEU A 65 2.847 3.991 1.408 1.00 0.00 C ATOM 1052 CD1 LEU A 65 4.019 3.446 0.590 1.00 0.00 C ATOM 1053 CD2 LEU A 65 2.931 3.443 2.827 1.00 0.00 C ATOM 0 H LEU A 65 5.292 4.625 2.501 1.00 0.00 H new ATOM 0 HA LEU A 65 3.885 7.223 2.253 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.840 5.891 1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.102 5.887 0.404 1.00 0.00 H new ATOM 0 HG LEU A 65 1.909 3.667 0.958 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.999 2.356 0.607 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.937 3.794 -0.440 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.957 3.799 1.019 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.929 2.353 2.797 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.850 3.791 3.298 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.074 3.792 3.403 1.00 0.00 H new ATOM 1065 N GLN A 66 2.300 6.644 4.263 1.00 0.00 N ATOM 1066 CA GLN A 66 1.770 6.491 5.611 1.00 0.00 C ATOM 1067 C GLN A 66 0.239 6.660 5.602 1.00 0.00 C ATOM 1068 O GLN A 66 -0.295 7.610 5.065 1.00 0.00 O ATOM 1069 CB GLN A 66 2.392 7.546 6.529 1.00 0.00 C ATOM 1070 CG GLN A 66 2.907 6.875 7.806 1.00 0.00 C ATOM 1071 CD GLN A 66 3.679 7.898 8.642 1.00 0.00 C ATOM 1072 OE1 GLN A 66 3.143 8.467 9.572 1.00 0.00 O ATOM 1073 NE2 GLN A 66 4.924 8.157 8.349 1.00 0.00 N ATOM 0 H GLN A 66 1.813 7.328 3.684 1.00 0.00 H new ATOM 0 HA GLN A 66 2.017 5.494 5.977 1.00 0.00 H new ATOM 0 HB2 GLN A 66 3.210 8.052 6.016 1.00 0.00 H new ATOM 0 HB3 GLN A 66 1.653 8.307 6.779 1.00 0.00 H new ATOM 0 HG2 GLN A 66 2.072 6.474 8.381 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.553 6.034 7.553 1.00 0.00 H new ATOM 0 HE21 GLN A 66 5.374 7.679 7.568 1.00 0.00 H new ATOM 0 HE22 GLN A 66 5.447 8.837 8.901 1.00 0.00 H new ATOM 1082 N LEU A 67 -0.458 5.724 6.190 1.00 0.00 N ATOM 1083 CA LEU A 67 -1.902 5.772 6.230 1.00 0.00 C ATOM 1084 C LEU A 67 -2.309 5.431 7.654 1.00 0.00 C ATOM 1085 O LEU A 67 -1.624 4.697 8.335 1.00 0.00 O ATOM 1086 CB LEU A 67 -2.449 4.744 5.222 1.00 0.00 C ATOM 1087 CG LEU A 67 -3.851 4.250 5.607 1.00 0.00 C ATOM 1088 CD1 LEU A 67 -4.894 4.902 4.698 1.00 0.00 C ATOM 1089 CD2 LEU A 67 -3.903 2.733 5.421 1.00 0.00 C ATOM 0 H LEU A 67 -0.049 4.912 6.652 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.300 6.750 5.960 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.483 5.193 4.229 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.768 3.895 5.165 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.062 4.512 6.644 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.888 4.550 4.974 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.849 5.985 4.811 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.690 4.637 3.661 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.894 2.367 5.691 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.697 2.487 4.379 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.156 2.262 6.060 1.00 0.00 H new ATOM 1101 N VAL A 68 -3.396 5.952 8.130 1.00 0.00 N ATOM 1102 CA VAL A 68 -3.764 5.632 9.491 1.00 0.00 C ATOM 1103 C VAL A 68 -5.134 5.001 9.536 1.00 0.00 C ATOM 1104 O VAL A 68 -5.945 5.134 8.644 1.00 0.00 O ATOM 1105 CB VAL A 68 -3.734 6.863 10.395 1.00 0.00 C ATOM 1106 CG1 VAL A 68 -3.658 6.436 11.852 1.00 0.00 C ATOM 1107 CG2 VAL A 68 -2.490 7.665 10.107 1.00 0.00 C ATOM 0 H VAL A 68 -4.028 6.577 7.629 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.025 4.922 9.864 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.635 7.448 10.210 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.637 7.320 12.490 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.530 5.831 12.100 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -2.752 5.851 12.013 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.467 8.544 10.751 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.609 7.052 10.298 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.494 7.980 9.063 1.00 0.00 H new ATOM 1117 N LEU A 69 -5.365 4.298 10.581 1.00 0.00 N ATOM 1118 CA LEU A 69 -6.612 3.615 10.764 1.00 0.00 C ATOM 1119 C LEU A 69 -7.621 4.600 11.343 1.00 0.00 C ATOM 1120 O LEU A 69 -7.258 5.460 12.121 1.00 0.00 O ATOM 1121 CB LEU A 69 -6.382 2.484 11.771 1.00 0.00 C ATOM 1122 CG LEU A 69 -5.472 1.382 11.188 1.00 0.00 C ATOM 1123 CD1 LEU A 69 -6.299 0.381 10.415 1.00 0.00 C ATOM 1124 CD2 LEU A 69 -4.415 1.943 10.237 1.00 0.00 C ATOM 0 H LEU A 69 -4.699 4.173 11.343 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.984 3.216 9.820 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.930 2.889 12.677 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.340 2.051 12.059 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.973 0.913 12.036 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.647 -0.392 10.008 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.032 -0.076 11.080 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.814 0.888 9.599 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.801 1.128 9.854 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.906 2.449 9.406 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.784 2.652 10.772 1.00 0.00 H new ATOM 1136 N HIS A 70 -8.888 4.481 11.011 1.00 0.00 N ATOM 1137 CA HIS A 70 -9.855 5.395 11.599 1.00 0.00 C ATOM 1138 C HIS A 70 -9.573 5.390 13.104 1.00 0.00 C ATOM 1139 O HIS A 70 -9.662 6.387 13.793 1.00 0.00 O ATOM 1140 CB HIS A 70 -11.279 4.901 11.332 1.00 0.00 C ATOM 1141 CG HIS A 70 -11.310 3.398 11.370 1.00 0.00 C ATOM 1142 ND1 HIS A 70 -11.173 2.685 12.550 1.00 0.00 N ATOM 1143 CD2 HIS A 70 -11.464 2.460 10.380 1.00 0.00 C ATOM 1144 CE1 HIS A 70 -11.247 1.377 12.244 1.00 0.00 C ATOM 1145 NE2 HIS A 70 -11.424 1.184 10.934 1.00 0.00 N ATOM 0 H HIS A 70 -9.267 3.790 10.363 1.00 0.00 H new ATOM 0 HA HIS A 70 -9.770 6.396 11.175 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -11.961 5.307 12.079 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -11.621 5.257 10.360 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -11.596 2.679 9.331 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -11.172 0.580 12.969 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -11.511 0.293 10.445 1.00 0.00 H new ATOM 1153 N ALA A 71 -9.190 4.236 13.578 1.00 0.00 N ATOM 1154 CA ALA A 71 -8.846 4.075 14.972 1.00 0.00 C ATOM 1155 C ALA A 71 -7.514 4.791 15.223 1.00 0.00 C ATOM 1156 O ALA A 71 -7.198 5.770 14.576 1.00 0.00 O ATOM 1157 CB ALA A 71 -8.704 2.587 15.300 1.00 0.00 C ATOM 0 H ALA A 71 -9.107 3.387 13.019 1.00 0.00 H new ATOM 0 HA ALA A 71 -9.626 4.499 15.604 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.445 2.469 16.352 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.647 2.079 15.100 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.919 2.151 14.682 1.00 0.00 H new ATOM 1163 N GLY A 72 -6.745 4.338 16.173 1.00 0.00 N ATOM 1164 CA GLY A 72 -5.484 5.003 16.478 1.00 0.00 C ATOM 1165 C GLY A 72 -4.330 4.116 16.033 1.00 0.00 C ATOM 1166 O GLY A 72 -3.435 3.787 16.786 1.00 0.00 O ATOM 0 H GLY A 72 -6.954 3.523 16.750 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.435 5.966 15.970 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.414 5.203 17.547 1.00 0.00 H new ATOM 1170 N ASP A 73 -4.392 3.703 14.814 1.00 0.00 N ATOM 1171 CA ASP A 73 -3.376 2.819 14.300 1.00 0.00 C ATOM 1172 C ASP A 73 -2.829 3.384 13.010 1.00 0.00 C ATOM 1173 O ASP A 73 -3.549 3.921 12.209 1.00 0.00 O ATOM 1174 CB ASP A 73 -3.983 1.438 14.041 1.00 0.00 C ATOM 1175 CG ASP A 73 -3.911 0.601 15.319 1.00 0.00 C ATOM 1176 OD1 ASP A 73 -3.129 0.950 16.189 1.00 0.00 O ATOM 1177 OD2 ASP A 73 -4.638 -0.374 15.407 1.00 0.00 O ATOM 0 H ASP A 73 -5.125 3.955 14.151 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.569 2.726 15.027 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.019 1.539 13.718 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -3.445 0.938 13.235 1.00 0.00 H new ATOM 1182 N THR A 74 -1.553 3.276 12.816 1.00 0.00 N ATOM 1183 CA THR A 74 -0.973 3.806 11.610 1.00 0.00 C ATOM 1184 C THR A 74 -0.547 2.656 10.718 1.00 0.00 C ATOM 1185 O THR A 74 -0.263 1.566 11.173 1.00 0.00 O ATOM 1186 CB THR A 74 0.244 4.673 11.943 1.00 0.00 C ATOM 1187 OG1 THR A 74 0.119 5.177 13.265 1.00 0.00 O ATOM 1188 CG2 THR A 74 0.325 5.838 10.952 1.00 0.00 C ATOM 0 H THR A 74 -0.897 2.835 13.461 1.00 0.00 H new ATOM 0 HA THR A 74 -1.712 4.421 11.097 1.00 0.00 H new ATOM 0 HB THR A 74 1.151 4.073 11.871 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.899 5.731 13.479 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.191 6.457 11.188 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.423 5.448 9.939 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.581 6.440 11.023 1.00 0.00 H new ATOM 1196 N THR A 75 -0.463 2.906 9.452 1.00 0.00 N ATOM 1197 CA THR A 75 -0.028 1.897 8.531 1.00 0.00 C ATOM 1198 C THR A 75 1.114 2.538 7.755 1.00 0.00 C ATOM 1199 O THR A 75 0.893 3.384 6.912 1.00 0.00 O ATOM 1200 CB THR A 75 -1.168 1.524 7.578 1.00 0.00 C ATOM 1201 OG1 THR A 75 -2.389 2.054 8.073 1.00 0.00 O ATOM 1202 CG2 THR A 75 -1.276 0.000 7.474 1.00 0.00 C ATOM 0 H THR A 75 -0.690 3.805 9.026 1.00 0.00 H new ATOM 0 HA THR A 75 0.280 0.983 9.039 1.00 0.00 H new ATOM 0 HB THR A 75 -0.964 1.938 6.590 1.00 0.00 H new ATOM 0 HG1 THR A 75 -2.343 3.033 8.077 1.00 0.00 H new ATOM 0 HG21 THR A 75 -2.088 -0.262 6.795 1.00 0.00 H new ATOM 0 HG22 THR A 75 -0.339 -0.406 7.093 1.00 0.00 H new ATOM 0 HG23 THR A 75 -1.478 -0.419 8.460 1.00 0.00 H new ATOM 1210 N ASN A 76 2.330 2.173 8.028 1.00 0.00 N ATOM 1211 CA ASN A 76 3.423 2.787 7.316 1.00 0.00 C ATOM 1212 C ASN A 76 4.053 1.750 6.412 1.00 0.00 C ATOM 1213 O ASN A 76 4.226 0.608 6.788 1.00 0.00 O ATOM 1214 CB ASN A 76 4.467 3.293 8.310 1.00 0.00 C ATOM 1215 CG ASN A 76 3.813 4.276 9.283 1.00 0.00 C ATOM 1216 OD1 ASN A 76 2.678 4.095 9.676 1.00 0.00 O ATOM 1217 ND2 ASN A 76 4.486 5.317 9.691 1.00 0.00 N ATOM 0 H ASN A 76 2.593 1.471 8.720 1.00 0.00 H new ATOM 0 HA ASN A 76 3.055 3.627 6.727 1.00 0.00 H new ATOM 0 HB2 ASN A 76 4.898 2.455 8.858 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.284 3.781 7.778 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.059 5.978 10.340 1.00 0.00 H new ATOM 0 HD22 ASN A 76 5.439 5.469 9.361 1.00 0.00 H new ATOM 1224 N PHE A 77 4.396 2.123 5.221 1.00 0.00 N ATOM 1225 CA PHE A 77 4.991 1.151 4.345 1.00 0.00 C ATOM 1226 C PHE A 77 6.028 1.809 3.438 1.00 0.00 C ATOM 1227 O PHE A 77 5.899 2.943 3.023 1.00 0.00 O ATOM 1228 CB PHE A 77 3.902 0.463 3.524 1.00 0.00 C ATOM 1229 CG PHE A 77 3.884 -0.992 3.884 1.00 0.00 C ATOM 1230 CD1 PHE A 77 5.066 -1.714 3.783 1.00 0.00 C ATOM 1231 CD2 PHE A 77 2.703 -1.621 4.321 1.00 0.00 C ATOM 1232 CE1 PHE A 77 5.089 -3.062 4.111 1.00 0.00 C ATOM 1233 CE2 PHE A 77 2.730 -2.974 4.647 1.00 0.00 C ATOM 1234 CZ PHE A 77 3.926 -3.690 4.540 1.00 0.00 C ATOM 0 H PHE A 77 4.282 3.061 4.836 1.00 0.00 H new ATOM 0 HA PHE A 77 5.504 0.398 4.943 1.00 0.00 H new ATOM 0 HB2 PHE A 77 2.931 0.916 3.727 1.00 0.00 H new ATOM 0 HB3 PHE A 77 4.095 0.587 2.458 1.00 0.00 H new ATOM 0 HD1 PHE A 77 5.969 -1.225 3.448 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.784 -1.059 4.403 1.00 0.00 H new ATOM 0 HE1 PHE A 77 6.009 -3.622 4.033 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.830 -3.469 4.981 1.00 0.00 H new ATOM 0 HZ PHE A 77 3.946 -4.740 4.793 1.00 0.00 H new ATOM 1244 N HIS A 78 7.072 1.089 3.162 1.00 0.00 N ATOM 1245 CA HIS A 78 8.128 1.633 2.332 1.00 0.00 C ATOM 1246 C HIS A 78 8.505 0.638 1.258 1.00 0.00 C ATOM 1247 O HIS A 78 8.229 -0.538 1.337 1.00 0.00 O ATOM 1248 CB HIS A 78 9.376 1.993 3.157 1.00 0.00 C ATOM 1249 CG HIS A 78 10.435 2.541 2.231 1.00 0.00 C ATOM 1250 ND1 HIS A 78 11.520 1.778 1.837 1.00 0.00 N ATOM 1251 CD2 HIS A 78 10.584 3.753 1.584 1.00 0.00 C ATOM 1252 CE1 HIS A 78 12.251 2.520 0.991 1.00 0.00 C ATOM 1253 NE2 HIS A 78 11.728 3.727 0.811 1.00 0.00 N ATOM 0 H HIS A 78 7.224 0.135 3.489 1.00 0.00 H new ATOM 0 HA HIS A 78 7.749 2.548 1.876 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.124 2.730 3.919 1.00 0.00 H new ATOM 0 HB3 HIS A 78 9.750 1.112 3.678 1.00 0.00 H new ATOM 0 HD1 HIS A 78 11.727 0.825 2.135 1.00 0.00 H new ATOM 0 HD2 HIS A 78 9.909 4.592 1.670 1.00 0.00 H new ATOM 0 HE1 HIS A 78 13.157 2.176 0.513 1.00 0.00 H new ATOM 1261 N PHE A 79 9.078 1.135 0.224 1.00 0.00 N ATOM 1262 CA PHE A 79 9.418 0.285 -0.878 1.00 0.00 C ATOM 1263 C PHE A 79 10.933 0.243 -1.110 1.00 0.00 C ATOM 1264 O PHE A 79 11.633 1.210 -0.947 1.00 0.00 O ATOM 1265 CB PHE A 79 8.713 0.826 -2.087 1.00 0.00 C ATOM 1266 CG PHE A 79 7.237 0.532 -1.997 1.00 0.00 C ATOM 1267 CD1 PHE A 79 6.759 -0.742 -2.297 1.00 0.00 C ATOM 1268 CD2 PHE A 79 6.341 1.549 -1.639 1.00 0.00 C ATOM 1269 CE1 PHE A 79 5.390 -1.003 -2.237 1.00 0.00 C ATOM 1270 CE2 PHE A 79 4.966 1.291 -1.587 1.00 0.00 C ATOM 1271 CZ PHE A 79 4.494 0.007 -1.887 1.00 0.00 C ATOM 0 H PHE A 79 9.324 2.118 0.109 1.00 0.00 H new ATOM 0 HA PHE A 79 9.107 -0.739 -0.670 1.00 0.00 H new ATOM 0 HB2 PHE A 79 8.874 1.901 -2.161 1.00 0.00 H new ATOM 0 HB3 PHE A 79 9.127 0.378 -2.990 1.00 0.00 H new ATOM 0 HD1 PHE A 79 7.447 -1.526 -2.576 1.00 0.00 H new ATOM 0 HD2 PHE A 79 6.713 2.535 -1.402 1.00 0.00 H new ATOM 0 HE1 PHE A 79 5.022 -1.993 -2.463 1.00 0.00 H new ATOM 0 HE2 PHE A 79 4.275 2.076 -1.318 1.00 0.00 H new ATOM 0 HZ PHE A 79 3.435 -0.201 -1.847 1.00 0.00 H new ATOM 1346 N ALA A 85 13.392 0.072 -6.911 1.00 0.00 N ATOM 1347 CA ALA A 85 13.339 1.202 -5.995 1.00 0.00 C ATOM 1348 C ALA A 85 12.934 2.479 -6.751 1.00 0.00 C ATOM 1349 O ALA A 85 13.588 3.497 -6.652 1.00 0.00 O ATOM 1350 CB ALA A 85 14.697 1.397 -5.321 1.00 0.00 C ATOM 0 HA ALA A 85 12.592 0.997 -5.228 1.00 0.00 H new ATOM 0 HB1 ALA A 85 14.646 2.245 -4.638 1.00 0.00 H new ATOM 0 HB2 ALA A 85 14.959 0.498 -4.764 1.00 0.00 H new ATOM 0 HB3 ALA A 85 15.456 1.588 -6.080 1.00 0.00 H new ATOM 1356 N VAL A 86 11.880 2.431 -7.513 1.00 0.00 N ATOM 1357 CA VAL A 86 11.479 3.621 -8.261 1.00 0.00 C ATOM 1358 C VAL A 86 9.962 3.657 -8.583 1.00 0.00 C ATOM 1359 O VAL A 86 9.123 3.296 -7.779 1.00 0.00 O ATOM 1360 CB VAL A 86 12.291 3.699 -9.564 1.00 0.00 C ATOM 1361 CG1 VAL A 86 12.507 5.165 -9.944 1.00 0.00 C ATOM 1362 CG2 VAL A 86 13.655 3.025 -9.381 1.00 0.00 C ATOM 0 H VAL A 86 11.286 1.612 -7.642 1.00 0.00 H new ATOM 0 HA VAL A 86 11.683 4.484 -7.627 1.00 0.00 H new ATOM 0 HB VAL A 86 11.739 3.186 -10.352 1.00 0.00 H new ATOM 0 HG11 VAL A 86 13.083 5.220 -10.868 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.541 5.649 -10.089 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.051 5.671 -9.147 1.00 0.00 H new ATOM 0 HG21 VAL A 86 14.219 3.088 -10.311 1.00 0.00 H new ATOM 0 HG22 VAL A 86 14.206 3.529 -8.587 1.00 0.00 H new ATOM 0 HG23 VAL A 86 13.511 1.978 -9.114 1.00 0.00 H new ATOM 1372 N LYS A 87 9.631 4.131 -9.776 1.00 0.00 N ATOM 1373 CA LYS A 87 8.244 4.256 -10.220 1.00 0.00 C ATOM 1374 C LYS A 87 7.410 3.023 -9.865 1.00 0.00 C ATOM 1375 O LYS A 87 6.228 3.130 -9.615 1.00 0.00 O ATOM 1376 CB LYS A 87 8.230 4.437 -11.739 1.00 0.00 C ATOM 1377 CG LYS A 87 7.664 5.816 -12.083 1.00 0.00 C ATOM 1378 CD LYS A 87 8.804 6.834 -12.150 1.00 0.00 C ATOM 1379 CE LYS A 87 8.225 8.251 -12.135 1.00 0.00 C ATOM 1380 NZ LYS A 87 9.223 9.188 -11.547 1.00 0.00 N ATOM 0 H LYS A 87 10.315 4.441 -10.466 1.00 0.00 H new ATOM 0 HA LYS A 87 7.805 5.115 -9.712 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.240 4.337 -12.137 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.626 3.658 -12.203 1.00 0.00 H new ATOM 0 HG2 LYS A 87 7.140 5.778 -13.038 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.935 6.119 -11.331 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.479 6.696 -11.305 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.391 6.679 -13.055 1.00 0.00 H new ATOM 0 HE2 LYS A 87 7.971 8.562 -13.148 1.00 0.00 H new ATOM 0 HE3 LYS A 87 7.303 8.273 -11.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.831 10.151 -11.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 9.445 8.894 -10.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.091 9.174 -12.119 1.00 0.00 H new ATOM 1394 N GLU A 88 8.002 1.862 -9.883 1.00 0.00 N ATOM 1395 CA GLU A 88 7.258 0.639 -9.590 1.00 0.00 C ATOM 1396 C GLU A 88 6.220 0.910 -8.494 1.00 0.00 C ATOM 1397 O GLU A 88 5.024 1.002 -8.736 1.00 0.00 O ATOM 1398 CB GLU A 88 8.234 -0.435 -9.089 1.00 0.00 C ATOM 1399 CG GLU A 88 9.467 0.220 -8.474 1.00 0.00 C ATOM 1400 CD GLU A 88 10.620 0.173 -9.480 1.00 0.00 C ATOM 1401 OE1 GLU A 88 10.416 -0.360 -10.558 1.00 0.00 O ATOM 1402 OE2 GLU A 88 11.685 0.669 -9.156 1.00 0.00 O ATOM 0 H GLU A 88 8.990 1.722 -10.094 1.00 0.00 H new ATOM 0 HA GLU A 88 6.754 0.301 -10.495 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.742 -1.067 -8.350 1.00 0.00 H new ATOM 0 HB3 GLU A 88 8.530 -1.081 -9.915 1.00 0.00 H new ATOM 0 HG2 GLU A 88 9.247 1.253 -8.203 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.748 -0.297 -7.557 1.00 0.00 H new ATOM 1409 N ARG A 89 6.666 1.067 -7.297 1.00 0.00 N ATOM 1410 CA ARG A 89 5.740 1.346 -6.229 1.00 0.00 C ATOM 1411 C ARG A 89 5.433 2.830 -6.257 1.00 0.00 C ATOM 1412 O ARG A 89 4.359 3.258 -5.889 1.00 0.00 O ATOM 1413 CB ARG A 89 6.337 0.890 -4.915 1.00 0.00 C ATOM 1414 CG ARG A 89 6.889 -0.511 -5.167 1.00 0.00 C ATOM 1415 CD ARG A 89 8.409 -0.544 -5.030 1.00 0.00 C ATOM 1416 NE ARG A 89 9.001 0.778 -5.227 1.00 0.00 N ATOM 1417 CZ ARG A 89 10.212 1.035 -4.795 1.00 0.00 C ATOM 1418 NH1 ARG A 89 10.888 0.120 -4.147 1.00 0.00 N ATOM 1419 NH2 ARG A 89 10.747 2.205 -5.021 1.00 0.00 N ATOM 0 H ARG A 89 7.647 1.011 -7.024 1.00 0.00 H new ATOM 0 HA ARG A 89 4.803 0.802 -6.351 1.00 0.00 H new ATOM 0 HB2 ARG A 89 7.126 1.567 -4.589 1.00 0.00 H new ATOM 0 HB3 ARG A 89 5.583 0.877 -4.128 1.00 0.00 H new ATOM 0 HG2 ARG A 89 6.443 -1.212 -4.461 1.00 0.00 H new ATOM 0 HG3 ARG A 89 6.605 -0.841 -6.166 1.00 0.00 H new ATOM 0 HD2 ARG A 89 8.677 -0.919 -4.042 1.00 0.00 H new ATOM 0 HD3 ARG A 89 8.825 -1.240 -5.758 1.00 0.00 H new ATOM 0 HE ARG A 89 8.468 1.506 -5.704 1.00 0.00 H new ATOM 0 HH11 ARG A 89 10.473 -0.796 -3.977 1.00 0.00 H new ATOM 0 HH12 ARG A 89 11.830 0.323 -3.812 1.00 0.00 H new ATOM 0 HH21 ARG A 89 10.223 2.915 -5.532 1.00 0.00 H new ATOM 0 HH22 ARG A 89 11.689 2.408 -4.686 1.00 0.00 H new ATOM 1433 N ASP A 90 6.351 3.625 -6.748 1.00 0.00 N ATOM 1434 CA ASP A 90 6.068 5.040 -6.859 1.00 0.00 C ATOM 1435 C ASP A 90 4.710 5.162 -7.563 1.00 0.00 C ATOM 1436 O ASP A 90 3.976 6.118 -7.377 1.00 0.00 O ATOM 1437 CB ASP A 90 7.156 5.738 -7.671 1.00 0.00 C ATOM 1438 CG ASP A 90 7.738 6.893 -6.855 1.00 0.00 C ATOM 1439 OD1 ASP A 90 8.601 6.635 -6.032 1.00 0.00 O ATOM 1440 OD2 ASP A 90 7.311 8.016 -7.066 1.00 0.00 O ATOM 0 H ASP A 90 7.274 3.332 -7.069 1.00 0.00 H new ATOM 0 HA ASP A 90 6.043 5.513 -5.878 1.00 0.00 H new ATOM 0 HB2 ASP A 90 7.942 5.029 -7.930 1.00 0.00 H new ATOM 0 HB3 ASP A 90 6.742 6.112 -8.607 1.00 0.00 H new ATOM 1445 N ALA A 91 4.313 4.127 -8.275 1.00 0.00 N ATOM 1446 CA ALA A 91 3.006 4.112 -8.866 1.00 0.00 C ATOM 1447 C ALA A 91 2.112 3.514 -7.787 1.00 0.00 C ATOM 1448 O ALA A 91 1.055 4.033 -7.494 1.00 0.00 O ATOM 1449 CB ALA A 91 2.995 3.230 -10.116 1.00 0.00 C ATOM 0 H ALA A 91 4.877 3.296 -8.453 1.00 0.00 H new ATOM 0 HA ALA A 91 2.678 5.103 -9.179 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.996 3.230 -10.552 1.00 0.00 H new ATOM 0 HB2 ALA A 91 3.708 3.620 -10.843 1.00 0.00 H new ATOM 0 HB3 ALA A 91 3.273 2.211 -9.845 1.00 0.00 H new ATOM 1455 N VAL A 92 2.554 2.409 -7.185 1.00 0.00 N ATOM 1456 CA VAL A 92 1.756 1.796 -6.117 1.00 0.00 C ATOM 1457 C VAL A 92 1.161 2.947 -5.289 1.00 0.00 C ATOM 1458 O VAL A 92 -0.039 3.048 -5.093 1.00 0.00 O ATOM 1459 CB VAL A 92 2.647 0.928 -5.214 1.00 0.00 C ATOM 1460 CG1 VAL A 92 2.018 0.800 -3.823 1.00 0.00 C ATOM 1461 CG2 VAL A 92 2.787 -0.471 -5.810 1.00 0.00 C ATOM 0 H VAL A 92 3.428 1.932 -7.406 1.00 0.00 H new ATOM 0 HA VAL A 92 0.977 1.160 -6.538 1.00 0.00 H new ATOM 0 HB VAL A 92 3.626 1.402 -5.138 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.656 0.183 -3.190 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.914 1.790 -3.378 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.036 0.336 -3.909 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.420 -1.080 -5.164 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.803 -0.932 -5.892 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.239 -0.401 -6.800 1.00 0.00 H new ATOM 1471 N LYS A 93 1.999 3.855 -4.868 1.00 0.00 N ATOM 1472 CA LYS A 93 1.509 5.007 -4.148 1.00 0.00 C ATOM 1473 C LYS A 93 0.551 5.736 -5.096 1.00 0.00 C ATOM 1474 O LYS A 93 -0.618 5.959 -4.790 1.00 0.00 O ATOM 1475 CB LYS A 93 2.694 5.920 -3.774 1.00 0.00 C ATOM 1476 CG LYS A 93 2.307 7.396 -3.951 1.00 0.00 C ATOM 1477 CD LYS A 93 3.402 8.294 -3.395 1.00 0.00 C ATOM 1478 CE LYS A 93 3.165 9.735 -3.852 1.00 0.00 C ATOM 1479 NZ LYS A 93 2.021 10.316 -3.094 1.00 0.00 N ATOM 0 H LYS A 93 3.009 3.825 -5.006 1.00 0.00 H new ATOM 0 HA LYS A 93 1.001 4.722 -3.227 1.00 0.00 H new ATOM 0 HB2 LYS A 93 2.992 5.736 -2.742 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.555 5.685 -4.400 1.00 0.00 H new ATOM 0 HG2 LYS A 93 2.148 7.614 -5.007 1.00 0.00 H new ATOM 0 HG3 LYS A 93 1.366 7.597 -3.439 1.00 0.00 H new ATOM 0 HD2 LYS A 93 3.410 8.244 -2.306 1.00 0.00 H new ATOM 0 HD3 LYS A 93 4.378 7.949 -3.737 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.063 10.331 -3.690 1.00 0.00 H new ATOM 0 HE3 LYS A 93 2.956 9.759 -4.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 1.718 11.202 -3.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 1.230 9.641 -3.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 2.316 10.511 -2.116 1.00 0.00 H new ATOM 1493 N ASP A 94 1.065 6.091 -6.259 1.00 0.00 N ATOM 1494 CA ASP A 94 0.276 6.779 -7.267 1.00 0.00 C ATOM 1495 C ASP A 94 -1.145 6.214 -7.323 1.00 0.00 C ATOM 1496 O ASP A 94 -2.068 6.896 -7.723 1.00 0.00 O ATOM 1497 CB ASP A 94 0.940 6.599 -8.632 1.00 0.00 C ATOM 1498 CG ASP A 94 0.350 7.603 -9.623 1.00 0.00 C ATOM 1499 OD1 ASP A 94 -0.680 7.298 -10.203 1.00 0.00 O ATOM 1500 OD2 ASP A 94 0.937 8.660 -9.785 1.00 0.00 O ATOM 0 H ASP A 94 2.032 5.913 -6.531 1.00 0.00 H new ATOM 0 HA ASP A 94 0.222 7.836 -7.007 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.017 6.746 -8.547 1.00 0.00 H new ATOM 0 HB3 ASP A 94 0.785 5.582 -8.992 1.00 0.00 H new ATOM 1505 N LEU A 95 -1.347 4.993 -6.908 1.00 0.00 N ATOM 1506 CA LEU A 95 -2.687 4.449 -6.924 1.00 0.00 C ATOM 1507 C LEU A 95 -3.339 4.780 -5.590 1.00 0.00 C ATOM 1508 O LEU A 95 -4.486 5.173 -5.527 1.00 0.00 O ATOM 1509 CB LEU A 95 -2.637 2.932 -7.101 1.00 0.00 C ATOM 1510 CG LEU A 95 -1.439 2.550 -7.968 1.00 0.00 C ATOM 1511 CD1 LEU A 95 -1.596 1.101 -8.416 1.00 0.00 C ATOM 1512 CD2 LEU A 95 -1.380 3.459 -9.198 1.00 0.00 C ATOM 0 H LEU A 95 -0.623 4.364 -6.561 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.255 4.876 -7.750 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.563 2.446 -6.128 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.559 2.580 -7.564 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.520 2.665 -7.394 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.746 0.818 -9.036 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.639 0.452 -7.541 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.516 0.996 -8.992 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.524 3.183 -9.814 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.296 3.346 -9.778 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -1.278 4.496 -8.879 1.00 0.00 H new ATOM 1524 N LEU A 96 -2.604 4.622 -4.522 1.00 0.00 N ATOM 1525 CA LEU A 96 -3.137 4.920 -3.205 1.00 0.00 C ATOM 1526 C LEU A 96 -3.972 6.205 -3.254 1.00 0.00 C ATOM 1527 O LEU A 96 -5.146 6.214 -2.928 1.00 0.00 O ATOM 1528 CB LEU A 96 -1.969 5.127 -2.231 1.00 0.00 C ATOM 1529 CG LEU A 96 -1.160 3.830 -2.061 1.00 0.00 C ATOM 1530 CD1 LEU A 96 -0.492 3.825 -0.685 1.00 0.00 C ATOM 1531 CD2 LEU A 96 -2.080 2.613 -2.176 1.00 0.00 C ATOM 0 H LEU A 96 -1.639 4.291 -4.529 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.766 4.093 -2.877 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.319 5.920 -2.600 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -2.351 5.452 -1.263 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.403 3.781 -2.844 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.082 2.906 -0.563 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.175 4.683 -0.601 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.256 3.882 0.090 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.495 1.702 -2.054 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.844 2.660 -1.400 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.557 2.609 -3.156 1.00 0.00 H new ATOM 1543 N GLN A 97 -3.372 7.294 -3.650 1.00 0.00 N ATOM 1544 CA GLN A 97 -4.126 8.549 -3.703 1.00 0.00 C ATOM 1545 C GLN A 97 -5.141 8.519 -4.844 1.00 0.00 C ATOM 1546 O GLN A 97 -5.907 9.443 -5.034 1.00 0.00 O ATOM 1547 CB GLN A 97 -3.211 9.740 -3.914 1.00 0.00 C ATOM 1548 CG GLN A 97 -2.565 9.678 -5.293 1.00 0.00 C ATOM 1549 CD GLN A 97 -1.077 9.429 -5.118 1.00 0.00 C ATOM 1550 OE1 GLN A 97 -0.651 8.208 -5.113 1.00 0.00 O flip ATOM 1551 NE2 GLN A 97 -0.299 10.352 -4.986 1.00 0.00 N flip ATOM 0 H GLN A 97 -2.395 7.356 -3.936 1.00 0.00 H new ATOM 0 HA GLN A 97 -4.637 8.651 -2.746 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.779 10.665 -3.813 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -2.439 9.754 -3.144 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -3.015 8.882 -5.886 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -2.732 10.611 -5.832 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -0.642 11.313 -4.991 1.00 0.00 H new ATOM 0 HE22 GLN A 97 0.697 10.167 -4.870 1.00 0.00 H new ATOM 1560 N GLN A 98 -5.168 7.460 -5.579 1.00 0.00 N ATOM 1561 CA GLN A 98 -6.118 7.341 -6.660 1.00 0.00 C ATOM 1562 C GLN A 98 -7.368 6.627 -6.132 1.00 0.00 C ATOM 1563 O GLN A 98 -8.465 6.839 -6.610 1.00 0.00 O ATOM 1564 CB GLN A 98 -5.496 6.535 -7.799 1.00 0.00 C ATOM 1565 CG GLN A 98 -6.084 7.003 -9.131 1.00 0.00 C ATOM 1566 CD GLN A 98 -6.758 5.825 -9.837 1.00 0.00 C ATOM 1567 OE1 GLN A 98 -7.961 5.811 -10.005 1.00 0.00 O ATOM 1568 NE2 GLN A 98 -6.028 4.830 -10.261 1.00 0.00 N ATOM 0 H GLN A 98 -4.549 6.658 -5.461 1.00 0.00 H new ATOM 0 HA GLN A 98 -6.389 8.328 -7.036 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -4.414 6.663 -7.801 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -5.691 5.472 -7.656 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -6.808 7.800 -8.960 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -5.297 7.416 -9.762 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -5.018 4.842 -10.120 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -6.467 4.040 -10.734 1.00 0.00 H new ATOM 1577 N LEU A 99 -7.208 5.789 -5.138 1.00 0.00 N ATOM 1578 CA LEU A 99 -8.356 5.089 -4.582 1.00 0.00 C ATOM 1579 C LEU A 99 -8.911 5.889 -3.401 1.00 0.00 C ATOM 1580 O LEU A 99 -10.056 5.761 -3.048 1.00 0.00 O ATOM 1581 CB LEU A 99 -7.942 3.701 -4.081 1.00 0.00 C ATOM 1582 CG LEU A 99 -6.774 3.173 -4.910 1.00 0.00 C ATOM 1583 CD1 LEU A 99 -5.492 3.309 -4.105 1.00 0.00 C ATOM 1584 CD2 LEU A 99 -6.987 1.698 -5.224 1.00 0.00 C ATOM 0 H LEU A 99 -6.313 5.572 -4.698 1.00 0.00 H new ATOM 0 HA LEU A 99 -9.112 4.982 -5.360 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -7.658 3.755 -3.030 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.786 3.014 -4.148 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.708 3.743 -5.837 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.653 2.934 -4.691 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.324 4.358 -3.862 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.578 2.733 -3.184 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -6.150 1.327 -5.816 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -7.052 1.134 -4.294 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -7.912 1.576 -5.788 1.00 0.00 H new ATOM 1596 N LEU A 100 -8.085 6.670 -2.761 1.00 0.00 N ATOM 1597 CA LEU A 100 -8.526 7.432 -1.601 1.00 0.00 C ATOM 1598 C LEU A 100 -9.909 8.021 -1.877 1.00 0.00 C ATOM 1599 O LEU A 100 -10.731 8.138 -0.990 1.00 0.00 O ATOM 1600 CB LEU A 100 -7.535 8.565 -1.328 1.00 0.00 C ATOM 1601 CG LEU A 100 -6.957 8.412 0.079 1.00 0.00 C ATOM 1602 CD1 LEU A 100 -5.662 9.219 0.187 1.00 0.00 C ATOM 1603 CD2 LEU A 100 -7.967 8.931 1.104 1.00 0.00 C ATOM 0 H LEU A 100 -7.106 6.803 -3.013 1.00 0.00 H new ATOM 0 HA LEU A 100 -8.576 6.776 -0.732 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.733 8.546 -2.066 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -8.034 9.529 -1.424 1.00 0.00 H new ATOM 0 HG LEU A 100 -6.748 7.360 0.274 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -5.249 9.111 1.190 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.942 8.851 -0.544 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.871 10.271 -0.008 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -7.556 8.822 2.107 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -8.175 9.983 0.909 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -8.891 8.358 1.027 1.00 0.00 H new ATOM 1615 N PRO A 101 -10.112 8.355 -3.118 1.00 0.00 N ATOM 1616 CA PRO A 101 -11.415 8.922 -3.536 1.00 0.00 C ATOM 1617 C PRO A 101 -12.514 7.842 -3.583 1.00 0.00 C ATOM 1618 O PRO A 101 -13.632 8.092 -3.986 1.00 0.00 O ATOM 1619 CB PRO A 101 -11.129 9.452 -4.939 1.00 0.00 C ATOM 1620 CG PRO A 101 -9.619 9.700 -5.034 1.00 0.00 C ATOM 1621 CD PRO A 101 -8.978 8.841 -3.950 1.00 0.00 C ATOM 0 HA PRO A 101 -11.781 9.683 -2.847 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -11.449 8.733 -5.694 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -11.682 10.373 -5.122 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.241 9.429 -6.020 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -9.387 10.754 -4.883 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -8.422 8.009 -4.383 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -8.272 9.420 -3.354 1.00 0.00 H new ATOM 1629 N LYS A 102 -12.180 6.643 -3.211 1.00 0.00 N ATOM 1630 CA LYS A 102 -13.120 5.534 -3.256 1.00 0.00 C ATOM 1631 C LYS A 102 -13.899 5.401 -1.946 1.00 0.00 C ATOM 1632 O LYS A 102 -15.101 5.223 -1.935 1.00 0.00 O ATOM 1633 CB LYS A 102 -12.294 4.263 -3.435 1.00 0.00 C ATOM 1634 CG LYS A 102 -13.144 3.021 -3.188 1.00 0.00 C ATOM 1635 CD LYS A 102 -12.806 1.962 -4.237 1.00 0.00 C ATOM 1636 CE LYS A 102 -13.329 2.411 -5.603 1.00 0.00 C ATOM 1637 NZ LYS A 102 -12.683 1.603 -6.674 1.00 0.00 N ATOM 0 H LYS A 102 -11.253 6.393 -2.866 1.00 0.00 H new ATOM 0 HA LYS A 102 -13.832 5.699 -4.064 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.882 4.232 -4.444 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -11.450 4.273 -2.746 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -12.957 2.631 -2.187 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -14.203 3.275 -3.239 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -11.728 1.810 -4.281 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -13.252 1.006 -3.961 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -14.412 2.292 -5.646 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -13.118 3.470 -5.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -13.039 1.909 -7.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -11.652 1.738 -6.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -12.906 0.597 -6.532 1.00 0.00 H new ATOM 1651 N PHE A 103 -13.205 5.428 -0.851 1.00 0.00 N ATOM 1652 CA PHE A 103 -13.854 5.245 0.439 1.00 0.00 C ATOM 1653 C PHE A 103 -13.917 6.577 1.181 1.00 0.00 C ATOM 1654 O PHE A 103 -14.518 6.687 2.231 1.00 0.00 O ATOM 1655 CB PHE A 103 -13.057 4.225 1.276 1.00 0.00 C ATOM 1656 CG PHE A 103 -11.608 4.373 0.926 1.00 0.00 C ATOM 1657 CD1 PHE A 103 -11.117 3.742 -0.216 1.00 0.00 C ATOM 1658 CD2 PHE A 103 -10.777 5.186 1.700 1.00 0.00 C ATOM 1659 CE1 PHE A 103 -9.796 3.924 -0.593 1.00 0.00 C ATOM 1660 CE2 PHE A 103 -9.442 5.361 1.333 1.00 0.00 C ATOM 1661 CZ PHE A 103 -8.952 4.735 0.184 1.00 0.00 C ATOM 0 H PHE A 103 -12.196 5.573 -0.809 1.00 0.00 H new ATOM 0 HA PHE A 103 -14.867 4.875 0.282 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -13.212 4.401 2.340 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -13.398 3.211 1.067 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -11.766 3.112 -0.806 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -11.166 5.678 2.579 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -9.416 3.443 -1.482 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -8.790 5.978 1.934 1.00 0.00 H new ATOM 0 HZ PHE A 103 -7.922 4.875 -0.108 1.00 0.00 H new