USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 561 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 54 CYS SG : rot -110:sc= 0.894 USER MOD Set 1.2: A 57 CYS SG : rot -78:sc= -1.47! USER MOD Set 1.3: A 75 CYS SG : rot -120:sc= -0.505 USER MOD Set 1.4: A 78 CYS SG : rot 85:sc= -0.0056 USER MOD Set 2.1: A 28 CYS SG : rot 152:sc= 0.208 USER MOD Set 2.2: A 31 CYS SG : rot -118:sc= -0.95 USER MOD Set 2.3: A 48 HIS : no HD1:sc= -2.62! C(o=-3.4!,f=-7.6!) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 HIS : no HD1:sc= 0.972 K(o=0.97,f=-3!) USER MOD Single : A 23 LYS NZ :NH3+ -158:sc= -3.26 (180deg=-4.83!) USER MOD Single : A 25 THR OG1 : rot 64:sc= 0.0614 USER MOD Single : A 27 MET CE :methyl -130:sc= -3 (180deg=-5.85!) USER MOD Single : A 30 HIS :FLIP no HE2:sc= -1.66 F(o=-3.7!,f=-1.7) USER MOD Single : A 32 ASN :FLIP amide:sc= -0.497 F(o=-1.4,f=-0.5) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 45 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.12) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -2.94 K(o=-2.9,f=-9.7!) USER MOD Single : A 56 HIS :FLIP no HD1:sc= -0.488 F(o=-1.5,f=-0.49) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.101 K(o=-0.1,f=-1.3!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl -136:sc= -0.183 (180deg=-2.97) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0107) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.0177 USER MOD Single : A 79 TYR OH : rot 141:sc= 0.0727 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 121 N LEU A 12 7.401 5.312 7.456 1.00 0.00 N ATOM 122 CA LEU A 12 6.426 6.072 6.681 1.00 0.00 C ATOM 123 C LEU A 12 5.231 5.201 6.306 1.00 0.00 C ATOM 124 O LEU A 12 4.091 5.667 6.287 1.00 0.00 O ATOM 125 CB LEU A 12 7.077 6.636 5.418 1.00 0.00 C ATOM 126 CG LEU A 12 6.441 7.902 4.842 1.00 0.00 C ATOM 127 CD1 LEU A 12 5.035 7.611 4.340 1.00 0.00 C ATOM 128 CD2 LEU A 12 6.418 9.009 5.885 1.00 0.00 C ATOM 0 HA LEU A 12 6.071 6.897 7.298 1.00 0.00 H new ATOM 0 HB2 LEU A 12 8.124 6.847 5.636 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.061 5.863 4.649 1.00 0.00 H new ATOM 0 HG LEU A 12 7.044 8.238 3.998 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.598 8.523 3.934 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.077 6.850 3.561 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.421 7.251 5.166 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.962 9.902 5.458 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.838 8.683 6.749 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.437 9.236 6.197 1.00 0.00 H new ATOM 140 N VAL A 13 5.499 3.934 6.008 1.00 0.00 N ATOM 141 CA VAL A 13 4.446 2.996 5.636 1.00 0.00 C ATOM 142 C VAL A 13 3.150 3.303 6.379 1.00 0.00 C ATOM 143 O VAL A 13 3.131 3.379 7.607 1.00 0.00 O ATOM 144 CB VAL A 13 4.860 1.542 5.928 1.00 0.00 C ATOM 145 CG1 VAL A 13 3.716 0.588 5.620 1.00 0.00 C ATOM 146 CG2 VAL A 13 6.102 1.172 5.130 1.00 0.00 C ATOM 0 H VAL A 13 6.437 3.533 6.017 1.00 0.00 H new ATOM 0 HA VAL A 13 4.284 3.111 4.564 1.00 0.00 H new ATOM 0 HB VAL A 13 5.097 1.456 6.988 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.028 -0.435 5.833 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.855 0.841 6.239 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.444 0.673 4.568 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.381 0.141 5.348 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.894 1.274 4.065 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.922 1.836 5.405 1.00 0.00 H new ATOM 156 N GLN A 14 2.069 3.476 5.626 1.00 0.00 N ATOM 157 CA GLN A 14 0.769 3.774 6.213 1.00 0.00 C ATOM 158 C GLN A 14 -0.234 2.666 5.908 1.00 0.00 C ATOM 159 O GLN A 14 -0.020 1.853 5.008 1.00 0.00 O ATOM 160 CB GLN A 14 0.243 5.112 5.690 1.00 0.00 C ATOM 161 CG GLN A 14 1.105 6.300 6.085 1.00 0.00 C ATOM 162 CD GLN A 14 0.435 7.629 5.797 1.00 0.00 C ATOM 163 OE1 GLN A 14 -0.399 8.098 6.573 1.00 0.00 O ATOM 164 NE2 GLN A 14 0.796 8.244 4.677 1.00 0.00 N ATOM 0 H GLN A 14 2.068 3.415 4.608 1.00 0.00 H new ATOM 0 HA GLN A 14 0.894 3.838 7.294 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.177 5.067 4.603 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.769 5.267 6.065 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.338 6.238 7.148 1.00 0.00 H new ATOM 0 HG3 GLN A 14 2.052 6.251 5.548 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.491 7.819 4.063 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.378 9.141 4.431 1.00 0.00 H new ATOM 173 N ARG A 15 -1.328 2.639 6.662 1.00 0.00 N ATOM 174 CA ARG A 15 -2.362 1.630 6.472 1.00 0.00 C ATOM 175 C ARG A 15 -3.736 2.279 6.331 1.00 0.00 C ATOM 176 O ARG A 15 -4.234 2.911 7.263 1.00 0.00 O ATOM 177 CB ARG A 15 -2.368 0.649 7.646 1.00 0.00 C ATOM 178 CG ARG A 15 -1.150 -0.259 7.687 1.00 0.00 C ATOM 179 CD ARG A 15 -1.267 -1.299 8.791 1.00 0.00 C ATOM 180 NE ARG A 15 -0.739 -0.810 10.062 1.00 0.00 N ATOM 181 CZ ARG A 15 -0.385 -1.606 11.065 1.00 0.00 C ATOM 182 NH1 ARG A 15 -0.501 -2.921 10.945 1.00 0.00 N ATOM 183 NH2 ARG A 15 0.087 -1.086 12.191 1.00 0.00 N ATOM 0 H ARG A 15 -1.521 3.305 7.410 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.140 1.087 5.554 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.423 1.211 8.578 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.267 0.035 7.591 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.035 -0.759 6.725 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -0.253 0.340 7.844 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -2.313 -1.578 8.916 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -0.729 -2.201 8.498 1.00 0.00 H new ATOM 0 HE ARG A 15 -0.637 0.197 10.186 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.863 -3.324 10.081 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -0.228 -3.530 11.717 1.00 0.00 H new ATOM 0 HH21 ARG A 15 0.178 -0.075 12.287 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.359 -1.698 12.961 1.00 0.00 H new ATOM 197 N ALA A 16 -4.342 2.120 5.160 1.00 0.00 N ATOM 198 CA ALA A 16 -5.658 2.689 4.897 1.00 0.00 C ATOM 199 C ALA A 16 -6.722 2.041 5.776 1.00 0.00 C ATOM 200 O ALA A 16 -6.864 0.818 5.794 1.00 0.00 O ATOM 201 CB ALA A 16 -6.018 2.532 3.427 1.00 0.00 C ATOM 0 H ALA A 16 -3.943 1.602 4.378 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.621 3.751 5.139 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.003 2.961 3.246 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.279 3.048 2.814 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.030 1.474 3.166 1.00 0.00 H new ATOM 207 N GLU A 17 -7.467 2.867 6.503 1.00 0.00 N ATOM 208 CA GLU A 17 -8.517 2.372 7.386 1.00 0.00 C ATOM 209 C GLU A 17 -9.575 1.607 6.596 1.00 0.00 C ATOM 210 O GLU A 17 -10.204 2.152 5.688 1.00 0.00 O ATOM 211 CB GLU A 17 -9.169 3.532 8.141 1.00 0.00 C ATOM 212 CG GLU A 17 -9.765 3.129 9.479 1.00 0.00 C ATOM 213 CD GLU A 17 -8.773 2.400 10.364 1.00 0.00 C ATOM 214 OE1 GLU A 17 -7.663 2.932 10.574 1.00 0.00 O ATOM 215 OE2 GLU A 17 -9.106 1.296 10.844 1.00 0.00 O ATOM 0 H GLU A 17 -7.363 3.882 6.498 1.00 0.00 H new ATOM 0 HA GLU A 17 -8.061 1.691 8.105 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.425 4.312 8.304 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.953 3.964 7.519 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.122 4.020 9.997 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.632 2.491 9.309 1.00 0.00 H new ATOM 222 N HIS A 18 -9.766 0.339 6.948 1.00 0.00 N ATOM 223 CA HIS A 18 -10.748 -0.502 6.273 1.00 0.00 C ATOM 224 C HIS A 18 -12.166 -0.129 6.696 1.00 0.00 C ATOM 225 O HIS A 18 -12.566 -0.367 7.835 1.00 0.00 O ATOM 226 CB HIS A 18 -10.483 -1.977 6.579 1.00 0.00 C ATOM 227 CG HIS A 18 -9.472 -2.605 5.670 1.00 0.00 C ATOM 228 ND1 HIS A 18 -9.719 -3.753 4.948 1.00 0.00 N ATOM 229 CD2 HIS A 18 -8.205 -2.237 5.367 1.00 0.00 C ATOM 230 CE1 HIS A 18 -8.648 -4.066 4.241 1.00 0.00 C ATOM 231 NE2 HIS A 18 -7.715 -3.161 4.478 1.00 0.00 N ATOM 0 H HIS A 18 -9.254 -0.128 7.696 1.00 0.00 H new ATOM 0 HA HIS A 18 -10.654 -0.338 5.199 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -10.140 -2.070 7.610 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -11.420 -2.529 6.504 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -7.678 -1.377 5.753 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -8.552 -4.916 3.582 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -6.782 -3.151 4.067 1.00 0.00 H new ATOM 240 N ILE A 19 -12.919 0.457 5.771 1.00 0.00 N ATOM 241 CA ILE A 19 -14.291 0.862 6.049 1.00 0.00 C ATOM 242 C ILE A 19 -15.286 -0.163 5.514 1.00 0.00 C ATOM 243 O ILE A 19 -15.251 -0.547 4.345 1.00 0.00 O ATOM 244 CB ILE A 19 -14.608 2.237 5.432 1.00 0.00 C ATOM 245 CG1 ILE A 19 -13.666 3.303 5.997 1.00 0.00 C ATOM 246 CG2 ILE A 19 -16.058 2.614 5.693 1.00 0.00 C ATOM 247 CD1 ILE A 19 -13.722 3.422 7.504 1.00 0.00 C ATOM 0 H ILE A 19 -12.602 0.662 4.823 1.00 0.00 H new ATOM 0 HA ILE A 19 -14.387 0.928 7.133 1.00 0.00 H new ATOM 0 HB ILE A 19 -14.457 2.178 4.354 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.645 3.069 5.697 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -13.915 4.268 5.555 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -16.266 3.588 5.251 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -16.714 1.866 5.248 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -16.235 2.658 6.768 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -13.029 4.196 7.834 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -14.734 3.686 7.811 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -13.443 2.470 7.955 1.00 0.00 H new ATOM 259 N PRO A 20 -16.195 -0.616 6.390 1.00 0.00 N ATOM 260 CA PRO A 20 -17.219 -1.601 6.028 1.00 0.00 C ATOM 261 C PRO A 20 -18.270 -1.026 5.085 1.00 0.00 C ATOM 262 O PRO A 20 -18.231 0.156 4.745 1.00 0.00 O ATOM 263 CB PRO A 20 -17.851 -1.966 7.374 1.00 0.00 C ATOM 264 CG PRO A 20 -17.613 -0.777 8.239 1.00 0.00 C ATOM 265 CD PRO A 20 -16.295 -0.202 7.799 1.00 0.00 C ATOM 0 HA PRO A 20 -16.795 -2.452 5.495 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -18.916 -2.172 7.268 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -17.394 -2.861 7.796 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -18.414 -0.046 8.127 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -17.584 -1.060 9.291 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -16.276 0.883 7.901 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.468 -0.593 8.392 1.00 0.00 H new ATOM 273 N ALA A 21 -19.207 -1.869 4.665 1.00 0.00 N ATOM 274 CA ALA A 21 -20.270 -1.443 3.763 1.00 0.00 C ATOM 275 C ALA A 21 -21.394 -0.752 4.526 1.00 0.00 C ATOM 276 O ALA A 21 -21.680 -1.093 5.673 1.00 0.00 O ATOM 277 CB ALA A 21 -20.811 -2.634 2.986 1.00 0.00 C ATOM 0 H ALA A 21 -19.252 -2.852 4.935 1.00 0.00 H new ATOM 0 HA ALA A 21 -19.849 -0.724 3.059 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -21.604 -2.302 2.316 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -20.007 -3.083 2.402 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -21.210 -3.372 3.682 1.00 0.00 H new ATOM 283 N GLY A 22 -22.029 0.223 3.882 1.00 0.00 N ATOM 284 CA GLY A 22 -23.115 0.947 4.516 1.00 0.00 C ATOM 285 C GLY A 22 -22.624 2.120 5.342 1.00 0.00 C ATOM 286 O GLY A 22 -23.145 3.230 5.229 1.00 0.00 O ATOM 0 H GLY A 22 -21.810 0.524 2.932 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -23.803 1.308 3.751 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -23.677 0.266 5.155 1.00 0.00 H new ATOM 290 N LYS A 23 -21.620 1.875 6.177 1.00 0.00 N ATOM 291 CA LYS A 23 -21.058 2.919 7.026 1.00 0.00 C ATOM 292 C LYS A 23 -20.902 4.224 6.252 1.00 0.00 C ATOM 293 O LYS A 23 -21.312 5.287 6.721 1.00 0.00 O ATOM 294 CB LYS A 23 -19.702 2.478 7.582 1.00 0.00 C ATOM 295 CG LYS A 23 -19.399 3.037 8.961 1.00 0.00 C ATOM 296 CD LYS A 23 -19.093 4.524 8.905 1.00 0.00 C ATOM 297 CE LYS A 23 -17.600 4.780 8.759 1.00 0.00 C ATOM 298 NZ LYS A 23 -17.200 4.925 7.332 1.00 0.00 N ATOM 0 H LYS A 23 -21.178 0.962 6.284 1.00 0.00 H new ATOM 0 HA LYS A 23 -21.746 3.088 7.855 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -19.674 1.389 7.626 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -18.917 2.789 6.892 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -20.250 2.864 9.620 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -18.550 2.506 9.391 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -19.624 4.975 8.067 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -19.459 5.006 9.811 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -17.331 5.684 9.305 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -17.045 3.958 9.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -16.184 4.726 7.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -17.741 4.255 6.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -17.395 5.896 7.014 1.00 0.00 H new ATOM 312 N ARG A 24 -20.310 4.137 5.066 1.00 0.00 N ATOM 313 CA ARG A 24 -20.101 5.312 4.228 1.00 0.00 C ATOM 314 C ARG A 24 -19.927 4.912 2.766 1.00 0.00 C ATOM 315 O ARG A 24 -19.300 3.898 2.458 1.00 0.00 O ATOM 316 CB ARG A 24 -18.874 6.092 4.704 1.00 0.00 C ATOM 317 CG ARG A 24 -19.210 7.246 5.634 1.00 0.00 C ATOM 318 CD ARG A 24 -18.162 8.345 5.559 1.00 0.00 C ATOM 319 NE ARG A 24 -18.683 9.631 6.017 1.00 0.00 N ATOM 320 CZ ARG A 24 -19.348 10.475 5.235 1.00 0.00 C ATOM 321 NH1 ARG A 24 -19.572 10.170 3.965 1.00 0.00 N ATOM 322 NH2 ARG A 24 -19.791 11.625 5.725 1.00 0.00 N ATOM 0 H ARG A 24 -19.966 3.265 4.663 1.00 0.00 H new ATOM 0 HA ARG A 24 -20.982 5.948 4.311 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -18.196 5.409 5.216 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -18.341 6.479 3.836 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -20.186 7.654 5.371 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -19.282 6.880 6.658 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -17.300 8.066 6.166 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -17.811 8.441 4.532 1.00 0.00 H new ATOM 0 HE ARG A 24 -18.528 9.895 6.990 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -19.234 9.286 3.586 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -20.083 10.820 3.367 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -19.621 11.862 6.702 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -20.301 12.272 5.124 1.00 0.00 H new ATOM 336 N THR A 25 -20.487 5.716 1.867 1.00 0.00 N ATOM 337 CA THR A 25 -20.396 5.446 0.438 1.00 0.00 C ATOM 338 C THR A 25 -19.993 6.698 -0.333 1.00 0.00 C ATOM 339 O THR A 25 -20.730 7.197 -1.183 1.00 0.00 O ATOM 340 CB THR A 25 -21.732 4.921 -0.121 1.00 0.00 C ATOM 341 OG1 THR A 25 -22.801 5.790 0.269 1.00 0.00 O ATOM 342 CG2 THR A 25 -22.010 3.511 0.378 1.00 0.00 C ATOM 0 H THR A 25 -21.009 6.560 2.104 1.00 0.00 H new ATOM 0 HA THR A 25 -19.631 4.680 0.309 1.00 0.00 H new ATOM 0 HB THR A 25 -21.662 4.897 -1.208 1.00 0.00 H new ATOM 0 HG1 THR A 25 -22.667 6.674 -0.132 1.00 0.00 H new ATOM 0 HG21 THR A 25 -22.958 3.161 -0.030 1.00 0.00 H new ATOM 0 HG22 THR A 25 -21.209 2.846 0.055 1.00 0.00 H new ATOM 0 HG23 THR A 25 -22.062 3.514 1.467 1.00 0.00 H new ATOM 350 N PRO A 26 -18.793 7.218 -0.033 1.00 0.00 N ATOM 351 CA PRO A 26 -18.264 8.418 -0.688 1.00 0.00 C ATOM 352 C PRO A 26 -17.899 8.168 -2.147 1.00 0.00 C ATOM 353 O PRO A 26 -18.301 7.163 -2.734 1.00 0.00 O ATOM 354 CB PRO A 26 -17.011 8.744 0.128 1.00 0.00 C ATOM 355 CG PRO A 26 -16.593 7.442 0.717 1.00 0.00 C ATOM 356 CD PRO A 26 -17.861 6.675 0.970 1.00 0.00 C ATOM 0 HA PRO A 26 -18.996 9.226 -0.712 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -16.227 9.164 -0.502 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -17.224 9.479 0.904 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -15.938 6.899 0.036 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -16.037 7.593 1.642 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -17.714 5.602 0.843 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -18.228 6.829 1.985 1.00 0.00 H new ATOM 364 N MET A 27 -17.135 9.088 -2.727 1.00 0.00 N ATOM 365 CA MET A 27 -16.715 8.965 -4.118 1.00 0.00 C ATOM 366 C MET A 27 -15.244 8.570 -4.209 1.00 0.00 C ATOM 367 O MET A 27 -14.379 9.221 -3.624 1.00 0.00 O ATOM 368 CB MET A 27 -16.948 10.282 -4.862 1.00 0.00 C ATOM 369 CG MET A 27 -18.351 10.418 -5.431 1.00 0.00 C ATOM 370 SD MET A 27 -19.609 10.571 -4.149 1.00 0.00 S ATOM 371 CE MET A 27 -20.746 9.275 -4.634 1.00 0.00 C ATOM 0 H MET A 27 -16.794 9.926 -2.256 1.00 0.00 H new ATOM 0 HA MET A 27 -17.313 8.182 -4.584 1.00 0.00 H new ATOM 0 HB2 MET A 27 -16.758 11.113 -4.182 1.00 0.00 H new ATOM 0 HB3 MET A 27 -16.226 10.364 -5.674 1.00 0.00 H new ATOM 0 HG2 MET A 27 -18.392 11.292 -6.081 1.00 0.00 H new ATOM 0 HG3 MET A 27 -18.573 9.549 -6.051 1.00 0.00 H new ATOM 0 HE1 MET A 27 -21.760 9.674 -4.668 1.00 0.00 H new ATOM 0 HE2 MET A 27 -20.471 8.900 -5.620 1.00 0.00 H new ATOM 0 HE3 MET A 27 -20.700 8.461 -3.910 1.00 0.00 H new ATOM 381 N CYS A 28 -14.969 7.499 -4.946 1.00 0.00 N ATOM 382 CA CYS A 28 -13.603 7.016 -5.113 1.00 0.00 C ATOM 383 C CYS A 28 -12.667 8.156 -5.502 1.00 0.00 C ATOM 384 O CYS A 28 -13.112 9.264 -5.800 1.00 0.00 O ATOM 385 CB CYS A 28 -13.556 5.916 -6.176 1.00 0.00 C ATOM 386 SG CYS A 28 -12.096 4.833 -6.060 1.00 0.00 S ATOM 0 H CYS A 28 -15.674 6.949 -5.437 1.00 0.00 H new ATOM 0 HA CYS A 28 -13.269 6.605 -4.160 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -14.455 5.306 -6.092 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -13.575 6.378 -7.163 1.00 0.00 H new ATOM 0 HG CYS A 28 -12.387 3.659 -6.537 1.00 0.00 H new ATOM 391 N ALA A 29 -11.368 7.875 -5.497 1.00 0.00 N ATOM 392 CA ALA A 29 -10.369 8.875 -5.852 1.00 0.00 C ATOM 393 C ALA A 29 -9.866 8.668 -7.276 1.00 0.00 C ATOM 394 O ALA A 29 -9.562 9.629 -7.984 1.00 0.00 O ATOM 395 CB ALA A 29 -9.208 8.833 -4.869 1.00 0.00 C ATOM 0 H ALA A 29 -10.983 6.963 -5.251 1.00 0.00 H new ATOM 0 HA ALA A 29 -10.840 9.857 -5.800 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.469 9.585 -5.146 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.575 9.038 -3.863 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.747 7.846 -4.892 1.00 0.00 H new ATOM 401 N HIS A 30 -9.780 7.408 -7.691 1.00 0.00 N ATOM 402 CA HIS A 30 -9.314 7.075 -9.033 1.00 0.00 C ATOM 403 C HIS A 30 -10.451 7.177 -10.044 1.00 0.00 C ATOM 404 O HIS A 30 -10.478 8.084 -10.876 1.00 0.00 O ATOM 405 CB HIS A 30 -8.720 5.667 -9.054 1.00 0.00 C ATOM 406 CG HIS A 30 -8.169 5.269 -10.389 1.00 0.00 C ATOM 407 ND1 HIS A 30 -8.795 4.968 -11.551 1.00 0.00 N flip ATOM 408 CD2 HIS A 30 -6.819 5.142 -10.638 1.00 0.00 C flip ATOM 409 CE1 HIS A 30 -7.821 4.669 -12.472 1.00 0.00 C flip ATOM 410 NE2 HIS A 30 -6.638 4.782 -11.896 1.00 0.00 N flip ATOM 0 H HIS A 30 -10.027 6.601 -7.118 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.541 7.791 -9.311 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -7.926 5.605 -8.310 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -9.489 4.953 -8.760 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -9.802 4.964 -11.712 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.032 5.310 -9.917 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -7.994 4.387 -13.500 1.00 0.00 H new ATOM 419 N CYS A 31 -11.390 6.239 -9.968 1.00 0.00 N ATOM 420 CA CYS A 31 -12.529 6.221 -10.877 1.00 0.00 C ATOM 421 C CYS A 31 -13.526 7.321 -10.521 1.00 0.00 C ATOM 422 O CYS A 31 -14.320 7.747 -11.359 1.00 0.00 O ATOM 423 CB CYS A 31 -13.221 4.857 -10.833 1.00 0.00 C ATOM 424 SG CYS A 31 -14.017 4.477 -9.239 1.00 0.00 S ATOM 0 H CYS A 31 -11.384 5.481 -9.285 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.160 6.402 -11.887 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -13.973 4.818 -11.621 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -12.487 4.082 -11.054 1.00 0.00 H new ATOM 0 HG CYS A 31 -13.464 3.422 -8.718 1.00 0.00 H new ATOM 429 N ASN A 32 -13.477 7.775 -9.273 1.00 0.00 N ATOM 430 CA ASN A 32 -14.375 8.825 -8.806 1.00 0.00 C ATOM 431 C ASN A 32 -15.832 8.386 -8.923 1.00 0.00 C ATOM 432 O ASN A 32 -16.690 9.159 -9.349 1.00 0.00 O ATOM 433 CB ASN A 32 -14.152 10.109 -9.607 1.00 0.00 C ATOM 434 CG ASN A 32 -12.705 10.561 -9.583 1.00 0.00 C ATOM 435 OD1 ASN A 32 -11.949 10.180 -10.607 1.00 0.00 O flip ATOM 436 ND2 ASN A 32 -12.271 11.246 -8.656 1.00 0.00 N flip ATOM 0 H ASN A 32 -12.825 7.432 -8.567 1.00 0.00 H new ATOM 0 HA ASN A 32 -14.155 9.017 -7.756 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -14.463 9.949 -10.639 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -14.784 10.900 -9.203 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -12.887 11.516 -7.889 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -11.295 11.543 -8.655 1.00 0.00 H new ATOM 443 N GLN A 33 -16.102 7.142 -8.541 1.00 0.00 N ATOM 444 CA GLN A 33 -17.454 6.601 -8.603 1.00 0.00 C ATOM 445 C GLN A 33 -17.942 6.194 -7.216 1.00 0.00 C ATOM 446 O GLN A 33 -17.197 5.605 -6.433 1.00 0.00 O ATOM 447 CB GLN A 33 -17.502 5.398 -9.547 1.00 0.00 C ATOM 448 CG GLN A 33 -17.115 5.732 -10.978 1.00 0.00 C ATOM 449 CD GLN A 33 -18.306 6.138 -11.825 1.00 0.00 C ATOM 450 OE1 GLN A 33 -19.199 6.847 -11.361 1.00 0.00 O ATOM 451 NE2 GLN A 33 -18.324 5.690 -13.075 1.00 0.00 N ATOM 0 H GLN A 33 -15.403 6.490 -8.185 1.00 0.00 H new ATOM 0 HA GLN A 33 -18.113 7.381 -8.986 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -16.834 4.624 -9.170 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -18.509 4.981 -9.540 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -16.385 6.541 -10.973 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -16.630 4.867 -11.431 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -17.562 5.105 -13.418 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -19.099 5.931 -13.692 1.00 0.00 H new ATOM 460 N VAL A 34 -19.197 6.514 -6.918 1.00 0.00 N ATOM 461 CA VAL A 34 -19.785 6.181 -5.626 1.00 0.00 C ATOM 462 C VAL A 34 -19.374 4.783 -5.179 1.00 0.00 C ATOM 463 O VAL A 34 -19.303 3.858 -5.988 1.00 0.00 O ATOM 464 CB VAL A 34 -21.322 6.262 -5.671 1.00 0.00 C ATOM 465 CG1 VAL A 34 -21.877 5.314 -6.723 1.00 0.00 C ATOM 466 CG2 VAL A 34 -21.912 5.957 -4.303 1.00 0.00 C ATOM 0 H VAL A 34 -19.826 7.004 -7.554 1.00 0.00 H new ATOM 0 HA VAL A 34 -19.411 6.913 -4.910 1.00 0.00 H new ATOM 0 HB VAL A 34 -21.606 7.278 -5.946 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -22.965 5.386 -6.740 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -21.480 5.584 -7.702 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -21.584 4.292 -6.482 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -22.999 6.019 -4.354 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -21.620 4.953 -3.996 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -21.541 6.681 -3.577 1.00 0.00 H new ATOM 476 N ILE A 35 -19.104 4.637 -3.886 1.00 0.00 N ATOM 477 CA ILE A 35 -18.701 3.350 -3.331 1.00 0.00 C ATOM 478 C ILE A 35 -19.868 2.667 -2.626 1.00 0.00 C ATOM 479 O ILE A 35 -20.169 2.965 -1.471 1.00 0.00 O ATOM 480 CB ILE A 35 -17.535 3.507 -2.337 1.00 0.00 C ATOM 481 CG1 ILE A 35 -16.318 4.115 -3.037 1.00 0.00 C ATOM 482 CG2 ILE A 35 -17.181 2.162 -1.721 1.00 0.00 C ATOM 483 CD1 ILE A 35 -15.446 4.943 -2.120 1.00 0.00 C ATOM 0 H ILE A 35 -19.157 5.393 -3.203 1.00 0.00 H new ATOM 0 HA ILE A 35 -18.374 2.733 -4.168 1.00 0.00 H new ATOM 0 HB ILE A 35 -17.845 4.181 -1.538 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -15.719 3.313 -3.469 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -16.658 4.739 -3.863 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -16.355 2.289 -1.021 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -18.047 1.765 -1.192 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -16.886 1.468 -2.508 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -14.603 5.343 -2.683 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -16.030 5.766 -1.708 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -15.076 4.318 -1.307 1.00 0.00 H new ATOM 495 N ARG A 36 -20.519 1.746 -3.329 1.00 0.00 N ATOM 496 CA ARG A 36 -21.652 1.018 -2.771 1.00 0.00 C ATOM 497 C ARG A 36 -21.178 -0.151 -1.912 1.00 0.00 C ATOM 498 O ARG A 36 -21.788 -1.219 -1.909 1.00 0.00 O ATOM 499 CB ARG A 36 -22.560 0.507 -3.891 1.00 0.00 C ATOM 500 CG ARG A 36 -23.400 1.596 -4.538 1.00 0.00 C ATOM 501 CD ARG A 36 -24.670 1.028 -5.153 1.00 0.00 C ATOM 502 NE ARG A 36 -25.190 1.880 -6.220 1.00 0.00 N ATOM 503 CZ ARG A 36 -24.694 1.901 -7.452 1.00 0.00 C ATOM 504 NH1 ARG A 36 -23.671 1.120 -7.771 1.00 0.00 N ATOM 505 NH2 ARG A 36 -25.221 2.703 -8.367 1.00 0.00 N ATOM 0 H ARG A 36 -20.281 1.486 -4.286 1.00 0.00 H new ATOM 0 HA ARG A 36 -22.217 1.704 -2.140 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -21.947 0.030 -4.656 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -23.222 -0.260 -3.489 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -23.660 2.348 -3.793 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -22.815 2.099 -5.308 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -24.467 0.033 -5.550 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -25.428 0.914 -4.378 1.00 0.00 H new ATOM 0 HE ARG A 36 -25.977 2.492 -6.007 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -23.263 0.502 -7.070 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -23.292 1.138 -8.718 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -26.008 3.305 -8.125 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -24.839 2.718 -9.313 1.00 0.00 H new ATOM 519 N GLY A 37 -20.085 0.061 -1.185 1.00 0.00 N ATOM 520 CA GLY A 37 -19.547 -0.984 -0.333 1.00 0.00 C ATOM 521 C GLY A 37 -18.373 -0.507 0.498 1.00 0.00 C ATOM 522 O GLY A 37 -18.182 0.690 0.712 1.00 0.00 O ATOM 0 H GLY A 37 -19.563 0.937 -1.171 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -20.332 -1.349 0.329 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -19.233 -1.826 -0.950 1.00 0.00 H new ATOM 526 N PRO A 38 -17.562 -1.459 0.984 1.00 0.00 N ATOM 527 CA PRO A 38 -16.387 -1.153 1.805 1.00 0.00 C ATOM 528 C PRO A 38 -15.278 -0.480 1.004 1.00 0.00 C ATOM 529 O PRO A 38 -14.841 -0.996 -0.025 1.00 0.00 O ATOM 530 CB PRO A 38 -15.931 -2.529 2.297 1.00 0.00 C ATOM 531 CG PRO A 38 -16.436 -3.485 1.272 1.00 0.00 C ATOM 532 CD PRO A 38 -17.729 -2.906 0.768 1.00 0.00 C ATOM 0 HA PRO A 38 -16.622 -0.454 2.607 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -14.846 -2.579 2.384 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -16.340 -2.753 3.282 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -15.718 -3.602 0.460 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -16.593 -4.473 1.704 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -17.890 -3.139 -0.284 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -18.586 -3.298 1.316 1.00 0.00 H new ATOM 540 N PHE A 39 -14.827 0.675 1.481 1.00 0.00 N ATOM 541 CA PHE A 39 -13.769 1.420 0.808 1.00 0.00 C ATOM 542 C PHE A 39 -12.574 1.625 1.735 1.00 0.00 C ATOM 543 O PHE A 39 -12.619 1.268 2.913 1.00 0.00 O ATOM 544 CB PHE A 39 -14.295 2.774 0.329 1.00 0.00 C ATOM 545 CG PHE A 39 -14.688 3.695 1.449 1.00 0.00 C ATOM 546 CD1 PHE A 39 -13.722 4.311 2.228 1.00 0.00 C ATOM 547 CD2 PHE A 39 -16.023 3.945 1.722 1.00 0.00 C ATOM 548 CE1 PHE A 39 -14.079 5.160 3.259 1.00 0.00 C ATOM 549 CE2 PHE A 39 -16.387 4.792 2.752 1.00 0.00 C ATOM 550 CZ PHE A 39 -15.414 5.400 3.521 1.00 0.00 C ATOM 0 H PHE A 39 -15.178 1.116 2.331 1.00 0.00 H new ATOM 0 HA PHE A 39 -13.442 0.839 -0.055 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -13.530 3.258 -0.277 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -15.158 2.612 -0.317 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -12.677 4.126 2.027 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -16.788 3.473 1.123 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -13.316 5.635 3.858 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -17.431 4.978 2.955 1.00 0.00 H new ATOM 0 HZ PHE A 39 -15.696 6.062 4.326 1.00 0.00 H new ATOM 560 N LEU A 40 -11.506 2.200 1.194 1.00 0.00 N ATOM 561 CA LEU A 40 -10.297 2.453 1.971 1.00 0.00 C ATOM 562 C LEU A 40 -9.991 3.946 2.032 1.00 0.00 C ATOM 563 O LEU A 40 -9.782 4.590 1.003 1.00 0.00 O ATOM 564 CB LEU A 40 -9.111 1.702 1.364 1.00 0.00 C ATOM 565 CG LEU A 40 -9.443 0.397 0.639 1.00 0.00 C ATOM 566 CD1 LEU A 40 -8.316 0.011 -0.307 1.00 0.00 C ATOM 567 CD2 LEU A 40 -9.707 -0.718 1.640 1.00 0.00 C ATOM 0 H LEU A 40 -11.452 2.500 0.221 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.465 2.094 2.986 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.607 2.366 0.662 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.400 1.481 2.160 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.348 0.551 0.051 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.569 -0.920 -0.814 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.175 0.800 -1.046 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.395 -0.124 0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.942 -1.639 1.106 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.821 -0.871 2.256 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.548 -0.444 2.277 1.00 0.00 H new ATOM 579 N VAL A 41 -9.964 4.490 3.244 1.00 0.00 N ATOM 580 CA VAL A 41 -9.680 5.907 3.440 1.00 0.00 C ATOM 581 C VAL A 41 -8.215 6.129 3.802 1.00 0.00 C ATOM 582 O VAL A 41 -7.748 5.672 4.845 1.00 0.00 O ATOM 583 CB VAL A 41 -10.568 6.510 4.544 1.00 0.00 C ATOM 584 CG1 VAL A 41 -10.560 5.624 5.780 1.00 0.00 C ATOM 585 CG2 VAL A 41 -10.108 7.920 4.886 1.00 0.00 C ATOM 0 H VAL A 41 -10.135 3.971 4.105 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.898 6.407 2.496 1.00 0.00 H new ATOM 0 HB VAL A 41 -11.591 6.565 4.173 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -11.193 6.067 6.549 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.940 4.636 5.522 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.541 5.534 6.156 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -10.746 8.331 5.668 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.077 7.891 5.237 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -10.171 8.549 3.998 1.00 0.00 H new ATOM 595 N ALA A 42 -7.497 6.833 2.934 1.00 0.00 N ATOM 596 CA ALA A 42 -6.086 7.118 3.164 1.00 0.00 C ATOM 597 C ALA A 42 -5.666 8.408 2.468 1.00 0.00 C ATOM 598 O ALA A 42 -6.356 8.895 1.572 1.00 0.00 O ATOM 599 CB ALA A 42 -5.228 5.955 2.687 1.00 0.00 C ATOM 0 H ALA A 42 -7.869 7.217 2.065 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.937 7.249 4.236 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.177 6.181 2.865 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.502 5.053 3.233 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.390 5.797 1.621 1.00 0.00 H new ATOM 605 N LEU A 43 -4.531 8.958 2.886 1.00 0.00 N ATOM 606 CA LEU A 43 -4.018 10.193 2.303 1.00 0.00 C ATOM 607 C LEU A 43 -5.111 11.255 2.232 1.00 0.00 C ATOM 608 O LEU A 43 -5.149 12.059 1.301 1.00 0.00 O ATOM 609 CB LEU A 43 -3.458 9.926 0.905 1.00 0.00 C ATOM 610 CG LEU A 43 -2.099 9.229 0.849 1.00 0.00 C ATOM 611 CD1 LEU A 43 -1.108 9.916 1.775 1.00 0.00 C ATOM 612 CD2 LEU A 43 -2.238 7.757 1.210 1.00 0.00 C ATOM 0 H LEU A 43 -3.948 8.568 3.627 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.217 10.564 2.943 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.178 9.319 0.357 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.378 10.878 0.380 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.719 9.297 -0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.146 9.406 1.722 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.985 10.955 1.470 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.481 9.880 2.798 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.260 7.277 1.165 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.640 7.666 2.219 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.913 7.272 0.505 1.00 0.00 H new ATOM 624 N GLY A 44 -5.997 11.253 3.223 1.00 0.00 N ATOM 625 CA GLY A 44 -7.077 12.222 3.254 1.00 0.00 C ATOM 626 C GLY A 44 -8.021 12.077 2.077 1.00 0.00 C ATOM 627 O GLY A 44 -8.508 13.069 1.535 1.00 0.00 O ATOM 0 H GLY A 44 -5.986 10.598 4.005 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.638 12.107 4.182 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.658 13.228 3.258 1.00 0.00 H new ATOM 631 N LYS A 45 -8.280 10.836 1.678 1.00 0.00 N ATOM 632 CA LYS A 45 -9.172 10.563 0.558 1.00 0.00 C ATOM 633 C LYS A 45 -9.639 9.111 0.575 1.00 0.00 C ATOM 634 O LYS A 45 -9.066 8.273 1.272 1.00 0.00 O ATOM 635 CB LYS A 45 -8.468 10.867 -0.767 1.00 0.00 C ATOM 636 CG LYS A 45 -9.412 11.315 -1.869 1.00 0.00 C ATOM 637 CD LYS A 45 -8.691 12.141 -2.920 1.00 0.00 C ATOM 638 CE LYS A 45 -9.642 13.088 -3.634 1.00 0.00 C ATOM 639 NZ LYS A 45 -10.757 12.359 -4.299 1.00 0.00 N ATOM 0 H LYS A 45 -7.884 10.003 2.114 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.045 11.208 0.656 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.721 11.644 -0.602 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.934 9.976 -1.098 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.864 10.442 -2.339 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -10.223 11.901 -1.438 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.892 12.713 -2.449 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.222 11.478 -3.647 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.051 13.801 -2.917 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.091 13.664 -4.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.808 12.640 -5.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.589 11.335 -4.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.654 12.592 -3.828 1.00 0.00 H new ATOM 653 N SER A 46 -10.681 8.819 -0.196 1.00 0.00 N ATOM 654 CA SER A 46 -11.226 7.469 -0.267 1.00 0.00 C ATOM 655 C SER A 46 -10.820 6.787 -1.569 1.00 0.00 C ATOM 656 O SER A 46 -10.539 7.449 -2.568 1.00 0.00 O ATOM 657 CB SER A 46 -12.751 7.505 -0.151 1.00 0.00 C ATOM 658 OG SER A 46 -13.344 7.963 -1.354 1.00 0.00 O ATOM 0 H SER A 46 -11.165 9.500 -0.781 1.00 0.00 H new ATOM 0 HA SER A 46 -10.819 6.895 0.566 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.124 6.509 0.086 1.00 0.00 H new ATOM 0 HB3 SER A 46 -13.041 8.158 0.672 1.00 0.00 H new ATOM 0 HG SER A 46 -14.319 7.975 -1.254 1.00 0.00 H new ATOM 664 N TRP A 47 -10.791 5.459 -1.550 1.00 0.00 N ATOM 665 CA TRP A 47 -10.419 4.686 -2.730 1.00 0.00 C ATOM 666 C TRP A 47 -11.097 3.320 -2.721 1.00 0.00 C ATOM 667 O TRP A 47 -11.621 2.883 -1.696 1.00 0.00 O ATOM 668 CB TRP A 47 -8.900 4.515 -2.795 1.00 0.00 C ATOM 669 CG TRP A 47 -8.146 5.748 -2.397 1.00 0.00 C ATOM 670 CD1 TRP A 47 -8.156 6.355 -1.174 1.00 0.00 C ATOM 671 CD2 TRP A 47 -7.274 6.523 -3.226 1.00 0.00 C ATOM 672 NE1 TRP A 47 -7.341 7.462 -1.193 1.00 0.00 N ATOM 673 CE2 TRP A 47 -6.788 7.587 -2.440 1.00 0.00 C ATOM 674 CE3 TRP A 47 -6.854 6.422 -4.555 1.00 0.00 C ATOM 675 CZ2 TRP A 47 -5.907 8.540 -2.941 1.00 0.00 C ATOM 676 CZ3 TRP A 47 -5.979 7.370 -5.051 1.00 0.00 C ATOM 677 CH2 TRP A 47 -5.512 8.417 -4.246 1.00 0.00 C ATOM 0 H TRP A 47 -11.020 4.895 -0.731 1.00 0.00 H new ATOM 0 HA TRP A 47 -10.754 5.232 -3.612 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.606 3.692 -2.144 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -8.616 4.236 -3.810 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -8.721 6.016 -0.318 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -7.175 8.089 -0.406 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.207 5.618 -5.183 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -5.547 9.349 -2.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.650 7.302 -6.077 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -4.827 9.141 -4.663 1.00 0.00 H new ATOM 688 N HIS A 48 -11.083 2.650 -3.869 1.00 0.00 N ATOM 689 CA HIS A 48 -11.696 1.332 -3.993 1.00 0.00 C ATOM 690 C HIS A 48 -10.710 0.235 -3.602 1.00 0.00 C ATOM 691 O HIS A 48 -9.528 0.280 -3.942 1.00 0.00 O ATOM 692 CB HIS A 48 -12.187 1.107 -5.423 1.00 0.00 C ATOM 693 CG HIS A 48 -13.552 1.667 -5.683 1.00 0.00 C ATOM 694 ND1 HIS A 48 -13.897 2.293 -6.862 1.00 0.00 N ATOM 695 CD2 HIS A 48 -14.661 1.690 -4.908 1.00 0.00 C ATOM 696 CE1 HIS A 48 -15.159 2.678 -6.800 1.00 0.00 C ATOM 697 NE2 HIS A 48 -15.646 2.324 -5.625 1.00 0.00 N ATOM 0 H HIS A 48 -10.654 2.998 -4.727 1.00 0.00 H new ATOM 0 HA HIS A 48 -12.548 1.289 -3.314 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -11.479 1.560 -6.117 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -12.197 0.037 -5.631 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -14.754 1.285 -3.911 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -15.701 3.195 -7.578 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -16.599 2.494 -5.302 1.00 0.00 H new ATOM 705 N PRO A 49 -11.206 -0.773 -2.871 1.00 0.00 N ATOM 706 CA PRO A 49 -10.385 -1.901 -2.418 1.00 0.00 C ATOM 707 C PRO A 49 -9.966 -2.811 -3.567 1.00 0.00 C ATOM 708 O PRO A 49 -9.104 -3.674 -3.404 1.00 0.00 O ATOM 709 CB PRO A 49 -11.310 -2.648 -1.454 1.00 0.00 C ATOM 710 CG PRO A 49 -12.687 -2.298 -1.902 1.00 0.00 C ATOM 711 CD PRO A 49 -12.606 -0.892 -2.429 1.00 0.00 C ATOM 0 HA PRO A 49 -9.451 -1.569 -1.964 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -11.141 -3.724 -1.497 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -11.139 -2.340 -0.423 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -13.033 -2.985 -2.674 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -13.395 -2.365 -1.076 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -13.302 -0.731 -3.252 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -12.848 -0.160 -1.659 1.00 0.00 H new ATOM 719 N GLU A 50 -10.580 -2.611 -4.729 1.00 0.00 N ATOM 720 CA GLU A 50 -10.270 -3.415 -5.905 1.00 0.00 C ATOM 721 C GLU A 50 -9.397 -2.634 -6.883 1.00 0.00 C ATOM 722 O GLU A 50 -8.708 -3.218 -7.719 1.00 0.00 O ATOM 723 CB GLU A 50 -11.557 -3.863 -6.599 1.00 0.00 C ATOM 724 CG GLU A 50 -12.417 -4.786 -5.750 1.00 0.00 C ATOM 725 CD GLU A 50 -13.888 -4.706 -6.109 1.00 0.00 C ATOM 726 OE1 GLU A 50 -14.282 -5.306 -7.131 1.00 0.00 O ATOM 727 OE2 GLU A 50 -14.645 -4.044 -5.368 1.00 0.00 O ATOM 0 H GLU A 50 -11.295 -1.899 -4.881 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.719 -4.296 -5.576 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -12.140 -2.982 -6.868 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.301 -4.372 -7.528 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.072 -5.813 -5.873 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -12.289 -4.530 -4.698 1.00 0.00 H new ATOM 734 N GLU A 51 -9.434 -1.310 -6.772 1.00 0.00 N ATOM 735 CA GLU A 51 -8.648 -0.448 -7.648 1.00 0.00 C ATOM 736 C GLU A 51 -7.350 -0.021 -6.969 1.00 0.00 C ATOM 737 O GLU A 51 -6.283 -0.030 -7.583 1.00 0.00 O ATOM 738 CB GLU A 51 -9.458 0.787 -8.046 1.00 0.00 C ATOM 739 CG GLU A 51 -9.071 1.359 -9.399 1.00 0.00 C ATOM 740 CD GLU A 51 -10.043 2.416 -9.886 1.00 0.00 C ATOM 741 OE1 GLU A 51 -10.858 2.893 -9.069 1.00 0.00 O ATOM 742 OE2 GLU A 51 -9.990 2.765 -11.084 1.00 0.00 O ATOM 0 H GLU A 51 -9.999 -0.811 -6.085 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.399 -1.015 -8.545 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -10.517 0.528 -8.060 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.328 1.557 -7.285 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.073 1.791 -9.334 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.022 0.552 -10.130 1.00 0.00 H new ATOM 749 N PHE A 52 -7.450 0.353 -5.697 1.00 0.00 N ATOM 750 CA PHE A 52 -6.285 0.785 -4.934 1.00 0.00 C ATOM 751 C PHE A 52 -5.108 -0.161 -5.155 1.00 0.00 C ATOM 752 O PHE A 52 -5.012 -1.208 -4.516 1.00 0.00 O ATOM 753 CB PHE A 52 -6.623 0.858 -3.444 1.00 0.00 C ATOM 754 CG PHE A 52 -5.621 1.634 -2.638 1.00 0.00 C ATOM 755 CD1 PHE A 52 -5.144 2.853 -3.091 1.00 0.00 C ATOM 756 CD2 PHE A 52 -5.156 1.144 -1.428 1.00 0.00 C ATOM 757 CE1 PHE A 52 -4.220 3.569 -2.352 1.00 0.00 C ATOM 758 CE2 PHE A 52 -4.233 1.855 -0.685 1.00 0.00 C ATOM 759 CZ PHE A 52 -3.766 3.070 -1.147 1.00 0.00 C ATOM 0 H PHE A 52 -8.325 0.365 -5.174 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.001 1.777 -5.284 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.605 1.315 -3.325 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.692 -0.154 -3.045 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.498 3.249 -4.032 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.519 0.195 -1.061 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.854 4.517 -2.717 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.877 1.461 0.256 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.047 3.629 -0.567 1.00 0.00 H new ATOM 769 N ASN A 53 -4.216 0.217 -6.065 1.00 0.00 N ATOM 770 CA ASN A 53 -3.046 -0.598 -6.371 1.00 0.00 C ATOM 771 C ASN A 53 -1.781 0.255 -6.402 1.00 0.00 C ATOM 772 O ASN A 53 -1.848 1.481 -6.499 1.00 0.00 O ATOM 773 CB ASN A 53 -3.229 -1.306 -7.716 1.00 0.00 C ATOM 774 CG ASN A 53 -3.953 -2.631 -7.577 1.00 0.00 C ATOM 775 OD1 ASN A 53 -3.476 -3.544 -6.903 1.00 0.00 O ATOM 776 ND2 ASN A 53 -5.111 -2.742 -8.218 1.00 0.00 N ATOM 0 H ASN A 53 -4.281 1.081 -6.603 1.00 0.00 H new ATOM 0 HA ASN A 53 -2.940 -1.346 -5.585 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -3.788 -0.658 -8.391 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -2.253 -1.474 -8.171 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -5.643 -3.610 -8.163 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -5.468 -1.959 -8.765 1.00 0.00 H new ATOM 783 N CYS A 54 -0.629 -0.401 -6.318 1.00 0.00 N ATOM 784 CA CYS A 54 0.652 0.295 -6.336 1.00 0.00 C ATOM 785 C CYS A 54 0.858 1.020 -7.663 1.00 0.00 C ATOM 786 O CYS A 54 0.027 0.931 -8.566 1.00 0.00 O ATOM 787 CB CYS A 54 1.796 -0.692 -6.097 1.00 0.00 C ATOM 788 SG CYS A 54 3.237 0.031 -5.249 1.00 0.00 S ATOM 0 H CYS A 54 -0.556 -1.415 -6.237 1.00 0.00 H new ATOM 0 HA CYS A 54 0.647 1.035 -5.535 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.422 -1.529 -5.506 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.118 -1.098 -7.056 1.00 0.00 H new ATOM 0 HG CYS A 54 4.233 0.114 -6.080 1.00 0.00 H new ATOM 793 N ALA A 55 1.972 1.737 -7.772 1.00 0.00 N ATOM 794 CA ALA A 55 2.289 2.475 -8.988 1.00 0.00 C ATOM 795 C ALA A 55 3.317 1.727 -9.831 1.00 0.00 C ATOM 796 O ALA A 55 3.332 1.845 -11.057 1.00 0.00 O ATOM 797 CB ALA A 55 2.799 3.866 -8.643 1.00 0.00 C ATOM 0 H ALA A 55 2.670 1.822 -7.033 1.00 0.00 H new ATOM 0 HA ALA A 55 1.375 2.570 -9.575 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.032 4.406 -9.561 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.033 4.407 -8.088 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.698 3.783 -8.033 1.00 0.00 H new ATOM 803 N HIS A 56 4.175 0.959 -9.167 1.00 0.00 N ATOM 804 CA HIS A 56 5.206 0.193 -9.857 1.00 0.00 C ATOM 805 C HIS A 56 4.835 -1.286 -9.916 1.00 0.00 C ATOM 806 O HIS A 56 4.736 -1.869 -10.996 1.00 0.00 O ATOM 807 CB HIS A 56 6.554 0.365 -9.156 1.00 0.00 C ATOM 808 CG HIS A 56 7.677 -0.363 -9.829 1.00 0.00 C ATOM 809 ND1 HIS A 56 7.811 -1.667 -10.165 1.00 0.00 N flip ATOM 810 CD2 HIS A 56 8.839 0.258 -10.235 1.00 0.00 C flip ATOM 811 CE1 HIS A 56 9.039 -1.809 -10.764 1.00 0.00 C flip ATOM 812 NE2 HIS A 56 9.639 -0.632 -10.794 1.00 0.00 N flip ATOM 0 H HIS A 56 4.177 0.851 -8.153 1.00 0.00 H new ATOM 0 HA HIS A 56 5.284 0.571 -10.876 1.00 0.00 H new ATOM 0 HB2 HIS A 56 6.797 1.427 -9.109 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.467 0.012 -8.128 1.00 0.00 H new ATOM 0 HD2 HIS A 56 9.061 1.308 -10.115 1.00 0.00 H new ATOM 0 HE1 HIS A 56 9.448 -2.732 -11.148 1.00 0.00 H new ATOM 0 HE2 HIS A 56 10.563 -0.443 -11.183 1.00 0.00 H new ATOM 821 N CYS A 57 4.633 -1.888 -8.749 1.00 0.00 N ATOM 822 CA CYS A 57 4.275 -3.299 -8.667 1.00 0.00 C ATOM 823 C CYS A 57 2.796 -3.503 -8.982 1.00 0.00 C ATOM 824 O CYS A 57 2.341 -4.630 -9.179 1.00 0.00 O ATOM 825 CB CYS A 57 4.591 -3.846 -7.274 1.00 0.00 C ATOM 826 SG CYS A 57 3.451 -3.274 -5.973 1.00 0.00 S ATOM 0 H CYS A 57 4.711 -1.420 -7.846 1.00 0.00 H new ATOM 0 HA CYS A 57 4.864 -3.842 -9.406 1.00 0.00 H new ATOM 0 HB2 CYS A 57 4.568 -4.935 -7.309 1.00 0.00 H new ATOM 0 HB3 CYS A 57 5.607 -3.558 -7.004 1.00 0.00 H new ATOM 0 HG CYS A 57 3.763 -2.061 -5.626 1.00 0.00 H new ATOM 831 N LYS A 58 2.049 -2.405 -9.028 1.00 0.00 N ATOM 832 CA LYS A 58 0.622 -2.462 -9.321 1.00 0.00 C ATOM 833 C LYS A 58 -0.032 -3.646 -8.616 1.00 0.00 C ATOM 834 O LYS A 58 -0.758 -4.424 -9.234 1.00 0.00 O ATOM 835 CB LYS A 58 0.394 -2.564 -10.831 1.00 0.00 C ATOM 836 CG LYS A 58 1.023 -1.429 -11.620 1.00 0.00 C ATOM 837 CD LYS A 58 0.106 -0.219 -11.684 1.00 0.00 C ATOM 838 CE LYS A 58 -0.872 -0.321 -12.844 1.00 0.00 C ATOM 839 NZ LYS A 58 -1.697 0.910 -12.984 1.00 0.00 N ATOM 0 H LYS A 58 2.409 -1.464 -8.866 1.00 0.00 H new ATOM 0 HA LYS A 58 0.164 -1.544 -8.952 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.799 -3.511 -11.188 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.678 -2.581 -11.028 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.969 -1.145 -11.160 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.249 -1.769 -12.631 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.446 -0.130 -10.748 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.704 0.686 -11.789 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.322 -0.496 -13.768 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.525 -1.181 -12.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.351 0.801 -13.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.242 1.064 -12.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.076 1.727 -13.153 1.00 0.00 H new ATOM 853 N ASN A 59 0.230 -3.775 -7.320 1.00 0.00 N ATOM 854 CA ASN A 59 -0.334 -4.865 -6.531 1.00 0.00 C ATOM 855 C ASN A 59 -1.311 -4.332 -5.488 1.00 0.00 C ATOM 856 O ASN A 59 -1.157 -3.217 -4.987 1.00 0.00 O ATOM 857 CB ASN A 59 0.782 -5.655 -5.844 1.00 0.00 C ATOM 858 CG ASN A 59 1.606 -6.465 -6.826 1.00 0.00 C ATOM 859 OD1 ASN A 59 1.125 -6.839 -7.896 1.00 0.00 O ATOM 860 ND2 ASN A 59 2.854 -6.739 -6.465 1.00 0.00 N ATOM 0 H ASN A 59 0.829 -3.139 -6.793 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.876 -5.527 -7.206 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.435 -4.966 -5.308 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.346 -6.323 -5.102 1.00 0.00 H new ATOM 0 HD21 ASN A 59 3.457 -7.280 -7.085 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.210 -6.408 -5.568 1.00 0.00 H new ATOM 867 N THR A 60 -2.319 -5.136 -5.163 1.00 0.00 N ATOM 868 CA THR A 60 -3.322 -4.746 -4.180 1.00 0.00 C ATOM 869 C THR A 60 -2.671 -4.156 -2.935 1.00 0.00 C ATOM 870 O THR A 60 -1.921 -4.835 -2.234 1.00 0.00 O ATOM 871 CB THR A 60 -4.201 -5.943 -3.769 1.00 0.00 C ATOM 872 OG1 THR A 60 -5.176 -5.527 -2.807 1.00 0.00 O ATOM 873 CG2 THR A 60 -3.352 -7.063 -3.188 1.00 0.00 C ATOM 0 H THR A 60 -2.462 -6.062 -5.567 1.00 0.00 H new ATOM 0 HA THR A 60 -3.949 -3.989 -4.651 1.00 0.00 H new ATOM 0 HB THR A 60 -4.707 -6.317 -4.659 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.732 -6.293 -2.552 1.00 0.00 H new ATOM 0 HG21 THR A 60 -3.994 -7.897 -2.905 1.00 0.00 H new ATOM 0 HG22 THR A 60 -2.631 -7.397 -3.934 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.822 -6.699 -2.308 1.00 0.00 H new ATOM 881 N MET A 61 -2.964 -2.889 -2.663 1.00 0.00 N ATOM 882 CA MET A 61 -2.408 -2.208 -1.499 1.00 0.00 C ATOM 883 C MET A 61 -3.470 -2.019 -0.421 1.00 0.00 C ATOM 884 O MET A 61 -3.529 -0.976 0.229 1.00 0.00 O ATOM 885 CB MET A 61 -1.827 -0.852 -1.904 1.00 0.00 C ATOM 886 CG MET A 61 -0.633 -0.956 -2.838 1.00 0.00 C ATOM 887 SD MET A 61 0.460 0.474 -2.731 1.00 0.00 S ATOM 888 CE MET A 61 -0.653 1.788 -3.223 1.00 0.00 C ATOM 0 H MET A 61 -3.583 -2.313 -3.233 1.00 0.00 H new ATOM 0 HA MET A 61 -1.610 -2.829 -1.092 1.00 0.00 H new ATOM 0 HB2 MET A 61 -2.606 -0.262 -2.388 1.00 0.00 H new ATOM 0 HB3 MET A 61 -1.529 -0.311 -1.006 1.00 0.00 H new ATOM 0 HG2 MET A 61 -0.069 -1.858 -2.601 1.00 0.00 H new ATOM 0 HG3 MET A 61 -0.987 -1.062 -3.863 1.00 0.00 H new ATOM 0 HE1 MET A 61 -0.145 2.453 -3.921 1.00 0.00 H new ATOM 0 HE2 MET A 61 -1.532 1.359 -3.705 1.00 0.00 H new ATOM 0 HE3 MET A 61 -0.961 2.352 -2.343 1.00 0.00 H new ATOM 898 N ALA A 62 -4.308 -3.034 -0.238 1.00 0.00 N ATOM 899 CA ALA A 62 -5.367 -2.979 0.762 1.00 0.00 C ATOM 900 C ALA A 62 -4.930 -3.648 2.061 1.00 0.00 C ATOM 901 O ALA A 62 -5.179 -3.131 3.151 1.00 0.00 O ATOM 902 CB ALA A 62 -6.632 -3.635 0.229 1.00 0.00 C ATOM 0 H ALA A 62 -4.274 -3.904 -0.769 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.577 -1.931 0.975 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -7.414 -3.586 0.987 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.963 -3.112 -0.668 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.427 -4.678 -0.014 1.00 0.00 H new ATOM 908 N TYR A 63 -4.278 -4.799 1.939 1.00 0.00 N ATOM 909 CA TYR A 63 -3.810 -5.539 3.104 1.00 0.00 C ATOM 910 C TYR A 63 -2.503 -4.954 3.632 1.00 0.00 C ATOM 911 O TYR A 63 -2.341 -4.756 4.837 1.00 0.00 O ATOM 912 CB TYR A 63 -3.615 -7.015 2.752 1.00 0.00 C ATOM 913 CG TYR A 63 -4.866 -7.682 2.226 1.00 0.00 C ATOM 914 CD1 TYR A 63 -5.824 -8.189 3.096 1.00 0.00 C ATOM 915 CD2 TYR A 63 -5.089 -7.807 0.861 1.00 0.00 C ATOM 916 CE1 TYR A 63 -6.968 -8.800 2.621 1.00 0.00 C ATOM 917 CE2 TYR A 63 -6.231 -8.415 0.377 1.00 0.00 C ATOM 918 CZ TYR A 63 -7.167 -8.910 1.261 1.00 0.00 C ATOM 919 OH TYR A 63 -8.306 -9.518 0.782 1.00 0.00 O ATOM 0 H TYR A 63 -4.062 -5.239 1.045 1.00 0.00 H new ATOM 0 HA TYR A 63 -4.566 -5.455 3.884 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -2.826 -7.101 2.005 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -3.274 -7.549 3.639 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -5.671 -8.104 4.162 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -4.357 -7.422 0.166 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -7.702 -9.189 3.311 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -6.390 -8.502 -0.688 1.00 0.00 H new ATOM 0 HH TYR A 63 -8.292 -9.512 -0.198 1.00 0.00 H new ATOM 929 N ILE A 64 -1.575 -4.679 2.722 1.00 0.00 N ATOM 930 CA ILE A 64 -0.284 -4.115 3.095 1.00 0.00 C ATOM 931 C ILE A 64 -0.359 -2.596 3.206 1.00 0.00 C ATOM 932 O ILE A 64 -1.400 -1.995 2.947 1.00 0.00 O ATOM 933 CB ILE A 64 0.809 -4.491 2.076 1.00 0.00 C ATOM 934 CG1 ILE A 64 0.399 -4.050 0.670 1.00 0.00 C ATOM 935 CG2 ILE A 64 1.075 -5.988 2.113 1.00 0.00 C ATOM 936 CD1 ILE A 64 1.515 -4.157 -0.346 1.00 0.00 C ATOM 0 H ILE A 64 -1.693 -4.838 1.721 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.024 -4.535 4.067 1.00 0.00 H new ATOM 0 HB ILE A 64 1.730 -3.973 2.344 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.443 -4.658 0.338 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.051 -3.018 0.709 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.849 -6.238 1.388 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.407 -6.274 3.111 1.00 0.00 H new ATOM 0 HG23 ILE A 64 0.160 -6.526 1.867 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.153 -3.828 -1.320 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.350 -3.527 -0.037 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.848 -5.193 -0.413 1.00 0.00 H new ATOM 948 N GLY A 65 0.754 -1.981 3.593 1.00 0.00 N ATOM 949 CA GLY A 65 0.794 -0.537 3.731 1.00 0.00 C ATOM 950 C GLY A 65 1.241 0.155 2.458 1.00 0.00 C ATOM 951 O GLY A 65 1.254 -0.450 1.386 1.00 0.00 O ATOM 0 H GLY A 65 1.629 -2.457 3.813 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.195 -0.174 4.010 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.471 -0.271 4.542 1.00 0.00 H new ATOM 955 N PHE A 66 1.607 1.427 2.575 1.00 0.00 N ATOM 956 CA PHE A 66 2.054 2.203 1.424 1.00 0.00 C ATOM 957 C PHE A 66 2.718 3.502 1.869 1.00 0.00 C ATOM 958 O PHE A 66 2.488 3.982 2.979 1.00 0.00 O ATOM 959 CB PHE A 66 0.874 2.510 0.500 1.00 0.00 C ATOM 960 CG PHE A 66 -0.366 2.936 1.233 1.00 0.00 C ATOM 961 CD1 PHE A 66 -0.485 4.224 1.729 1.00 0.00 C ATOM 962 CD2 PHE A 66 -1.412 2.048 1.425 1.00 0.00 C ATOM 963 CE1 PHE A 66 -1.625 4.618 2.405 1.00 0.00 C ATOM 964 CE2 PHE A 66 -2.555 2.437 2.099 1.00 0.00 C ATOM 965 CZ PHE A 66 -2.661 3.724 2.589 1.00 0.00 C ATOM 0 H PHE A 66 1.603 1.942 3.455 1.00 0.00 H new ATOM 0 HA PHE A 66 2.788 1.609 0.879 1.00 0.00 H new ATOM 0 HB2 PHE A 66 1.163 3.297 -0.196 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.649 1.625 -0.095 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.321 4.928 1.586 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.334 1.041 1.044 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.705 5.624 2.789 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.364 1.736 2.242 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.553 4.031 3.115 1.00 0.00 H new ATOM 975 N VAL A 67 3.545 4.067 0.995 1.00 0.00 N ATOM 976 CA VAL A 67 4.243 5.311 1.296 1.00 0.00 C ATOM 977 C VAL A 67 4.034 6.340 0.191 1.00 0.00 C ATOM 978 O VAL A 67 4.216 6.043 -0.989 1.00 0.00 O ATOM 979 CB VAL A 67 5.754 5.076 1.484 1.00 0.00 C ATOM 980 CG1 VAL A 67 6.473 6.394 1.727 1.00 0.00 C ATOM 981 CG2 VAL A 67 6.003 4.104 2.627 1.00 0.00 C ATOM 0 H VAL A 67 3.748 3.683 0.072 1.00 0.00 H new ATOM 0 HA VAL A 67 3.823 5.692 2.227 1.00 0.00 H new ATOM 0 HB VAL A 67 6.153 4.636 0.570 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.539 6.208 1.858 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.322 7.054 0.873 1.00 0.00 H new ATOM 0 HG13 VAL A 67 6.074 6.866 2.625 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.075 3.949 2.746 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.591 4.514 3.549 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.521 3.151 2.406 1.00 0.00 H new ATOM 991 N GLU A 68 3.651 7.551 0.582 1.00 0.00 N ATOM 992 CA GLU A 68 3.416 8.625 -0.377 1.00 0.00 C ATOM 993 C GLU A 68 4.710 9.374 -0.682 1.00 0.00 C ATOM 994 O GLU A 68 5.454 9.743 0.226 1.00 0.00 O ATOM 995 CB GLU A 68 2.365 9.598 0.161 1.00 0.00 C ATOM 996 CG GLU A 68 2.302 10.909 -0.605 1.00 0.00 C ATOM 997 CD GLU A 68 1.318 11.891 0.001 1.00 0.00 C ATOM 998 OE1 GLU A 68 1.557 12.343 1.140 1.00 0.00 O ATOM 999 OE2 GLU A 68 0.310 12.208 -0.664 1.00 0.00 O ATOM 0 H GLU A 68 3.497 7.813 1.556 1.00 0.00 H new ATOM 0 HA GLU A 68 3.048 8.179 -1.301 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.387 9.119 0.126 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.579 9.809 1.209 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.294 11.361 -0.627 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.020 10.709 -1.639 1.00 0.00 H new ATOM 1006 N GLU A 69 4.971 9.594 -1.967 1.00 0.00 N ATOM 1007 CA GLU A 69 6.175 10.297 -2.391 1.00 0.00 C ATOM 1008 C GLU A 69 6.020 10.834 -3.811 1.00 0.00 C ATOM 1009 O GLU A 69 5.750 10.080 -4.747 1.00 0.00 O ATOM 1010 CB GLU A 69 7.389 9.368 -2.316 1.00 0.00 C ATOM 1011 CG GLU A 69 8.718 10.104 -2.300 1.00 0.00 C ATOM 1012 CD GLU A 69 9.036 10.706 -0.946 1.00 0.00 C ATOM 1013 OE1 GLU A 69 8.507 10.203 0.067 1.00 0.00 O ATOM 1014 OE2 GLU A 69 9.816 11.681 -0.898 1.00 0.00 O ATOM 0 H GLU A 69 4.365 9.296 -2.731 1.00 0.00 H new ATOM 0 HA GLU A 69 6.329 11.139 -1.717 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.312 8.755 -1.418 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.370 8.689 -3.168 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.514 9.415 -2.583 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.700 10.895 -3.050 1.00 0.00 H new ATOM 1021 N LYS A 70 6.192 12.143 -3.965 1.00 0.00 N ATOM 1022 CA LYS A 70 6.072 12.783 -5.270 1.00 0.00 C ATOM 1023 C LYS A 70 4.775 12.372 -5.960 1.00 0.00 C ATOM 1024 O LYS A 70 4.764 12.067 -7.151 1.00 0.00 O ATOM 1025 CB LYS A 70 7.268 12.418 -6.151 1.00 0.00 C ATOM 1026 CG LYS A 70 8.524 13.210 -5.831 1.00 0.00 C ATOM 1027 CD LYS A 70 9.402 13.385 -7.058 1.00 0.00 C ATOM 1028 CE LYS A 70 8.844 14.445 -7.996 1.00 0.00 C ATOM 1029 NZ LYS A 70 9.113 15.823 -7.500 1.00 0.00 N ATOM 0 H LYS A 70 6.415 12.782 -3.202 1.00 0.00 H new ATOM 0 HA LYS A 70 6.056 13.862 -5.118 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.480 11.355 -6.038 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.002 12.581 -7.195 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.248 14.188 -5.438 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.087 12.700 -5.049 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.409 13.665 -6.749 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.483 12.436 -7.587 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.285 14.323 -8.985 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.769 14.302 -8.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.793 16.515 -8.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.601 15.977 -6.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.134 15.941 -7.338 1.00 0.00 H new ATOM 1043 N GLY A 71 3.682 12.369 -5.202 1.00 0.00 N ATOM 1044 CA GLY A 71 2.395 11.996 -5.759 1.00 0.00 C ATOM 1045 C GLY A 71 2.373 10.566 -6.262 1.00 0.00 C ATOM 1046 O GLY A 71 1.856 10.290 -7.344 1.00 0.00 O ATOM 0 H GLY A 71 3.665 12.618 -4.213 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.623 12.123 -4.999 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.148 12.670 -6.579 1.00 0.00 H new ATOM 1050 N ALA A 72 2.937 9.655 -5.476 1.00 0.00 N ATOM 1051 CA ALA A 72 2.980 8.247 -5.847 1.00 0.00 C ATOM 1052 C ALA A 72 3.011 7.353 -4.612 1.00 0.00 C ATOM 1053 O ALA A 72 3.867 7.512 -3.740 1.00 0.00 O ATOM 1054 CB ALA A 72 4.187 7.971 -6.732 1.00 0.00 C ATOM 0 H ALA A 72 3.371 9.868 -4.578 1.00 0.00 H new ATOM 0 HA ALA A 72 2.073 8.017 -6.406 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.207 6.915 -7.002 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.121 8.575 -7.637 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.099 8.225 -6.192 1.00 0.00 H new ATOM 1060 N LEU A 73 2.073 6.416 -4.542 1.00 0.00 N ATOM 1061 CA LEU A 73 1.993 5.497 -3.411 1.00 0.00 C ATOM 1062 C LEU A 73 2.777 4.218 -3.692 1.00 0.00 C ATOM 1063 O LEU A 73 2.530 3.533 -4.685 1.00 0.00 O ATOM 1064 CB LEU A 73 0.533 5.157 -3.108 1.00 0.00 C ATOM 1065 CG LEU A 73 -0.345 6.320 -2.645 1.00 0.00 C ATOM 1066 CD1 LEU A 73 -1.808 5.906 -2.615 1.00 0.00 C ATOM 1067 CD2 LEU A 73 0.100 6.813 -1.276 1.00 0.00 C ATOM 0 H LEU A 73 1.357 6.272 -5.254 1.00 0.00 H new ATOM 0 HA LEU A 73 2.433 5.988 -2.543 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.088 4.726 -4.005 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.513 4.384 -2.339 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.235 7.138 -3.357 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.417 6.747 -2.283 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.121 5.603 -3.614 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.936 5.071 -1.926 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.536 7.641 -0.963 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.021 6.001 -0.553 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.135 7.151 -1.330 1.00 0.00 H new ATOM 1079 N TYR A 74 3.719 3.903 -2.811 1.00 0.00 N ATOM 1080 CA TYR A 74 4.539 2.707 -2.964 1.00 0.00 C ATOM 1081 C TYR A 74 4.444 1.820 -1.727 1.00 0.00 C ATOM 1082 O TYR A 74 4.690 2.267 -0.607 1.00 0.00 O ATOM 1083 CB TYR A 74 5.998 3.093 -3.218 1.00 0.00 C ATOM 1084 CG TYR A 74 6.185 4.004 -4.410 1.00 0.00 C ATOM 1085 CD1 TYR A 74 6.140 3.504 -5.705 1.00 0.00 C ATOM 1086 CD2 TYR A 74 6.407 5.365 -4.240 1.00 0.00 C ATOM 1087 CE1 TYR A 74 6.311 4.333 -6.797 1.00 0.00 C ATOM 1088 CE2 TYR A 74 6.578 6.202 -5.326 1.00 0.00 C ATOM 1089 CZ TYR A 74 6.529 5.681 -6.602 1.00 0.00 C ATOM 1090 OH TYR A 74 6.700 6.511 -7.687 1.00 0.00 O ATOM 0 H TYR A 74 3.934 4.459 -1.983 1.00 0.00 H new ATOM 0 HA TYR A 74 4.164 2.147 -3.820 1.00 0.00 H new ATOM 0 HB2 TYR A 74 6.395 3.585 -2.330 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.584 2.186 -3.369 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.968 2.449 -5.861 1.00 0.00 H new ATOM 0 HD2 TYR A 74 6.447 5.776 -3.242 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.274 3.928 -7.797 1.00 0.00 H new ATOM 0 HE2 TYR A 74 6.749 7.258 -5.177 1.00 0.00 H new ATOM 0 HH TYR A 74 6.842 7.430 -7.377 1.00 0.00 H new ATOM 1100 N CYS A 75 4.086 0.558 -1.939 1.00 0.00 N ATOM 1101 CA CYS A 75 3.958 -0.396 -0.843 1.00 0.00 C ATOM 1102 C CYS A 75 5.267 -0.514 -0.069 1.00 0.00 C ATOM 1103 O CYS A 75 6.322 -0.099 -0.548 1.00 0.00 O ATOM 1104 CB CYS A 75 3.543 -1.767 -1.379 1.00 0.00 C ATOM 1105 SG CYS A 75 4.740 -2.505 -2.538 1.00 0.00 S ATOM 0 H CYS A 75 3.879 0.172 -2.860 1.00 0.00 H new ATOM 0 HA CYS A 75 3.187 -0.031 -0.164 1.00 0.00 H new ATOM 0 HB2 CYS A 75 3.401 -2.446 -0.538 1.00 0.00 H new ATOM 0 HB3 CYS A 75 2.579 -1.673 -1.879 1.00 0.00 H new ATOM 0 HG CYS A 75 4.167 -2.700 -3.688 1.00 0.00 H new ATOM 1110 N GLU A 76 5.190 -1.084 1.129 1.00 0.00 N ATOM 1111 CA GLU A 76 6.370 -1.256 1.970 1.00 0.00 C ATOM 1112 C GLU A 76 7.493 -1.941 1.197 1.00 0.00 C ATOM 1113 O GLU A 76 8.673 -1.661 1.415 1.00 0.00 O ATOM 1114 CB GLU A 76 6.021 -2.074 3.215 1.00 0.00 C ATOM 1115 CG GLU A 76 5.833 -3.556 2.938 1.00 0.00 C ATOM 1116 CD GLU A 76 4.443 -3.883 2.428 1.00 0.00 C ATOM 1117 OE1 GLU A 76 4.043 -3.318 1.389 1.00 0.00 O ATOM 1118 OE2 GLU A 76 3.755 -4.704 3.070 1.00 0.00 O ATOM 0 H GLU A 76 4.324 -1.434 1.539 1.00 0.00 H new ATOM 0 HA GLU A 76 6.713 -0.268 2.277 1.00 0.00 H new ATOM 0 HB2 GLU A 76 6.812 -1.949 3.955 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.107 -1.677 3.656 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.571 -3.881 2.204 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.022 -4.119 3.852 1.00 0.00 H new ATOM 1125 N LEU A 77 7.119 -2.840 0.293 1.00 0.00 N ATOM 1126 CA LEU A 77 8.094 -3.566 -0.513 1.00 0.00 C ATOM 1127 C LEU A 77 8.860 -2.616 -1.427 1.00 0.00 C ATOM 1128 O LEU A 77 10.058 -2.396 -1.247 1.00 0.00 O ATOM 1129 CB LEU A 77 7.396 -4.642 -1.347 1.00 0.00 C ATOM 1130 CG LEU A 77 6.722 -5.768 -0.561 1.00 0.00 C ATOM 1131 CD1 LEU A 77 5.537 -6.324 -1.335 1.00 0.00 C ATOM 1132 CD2 LEU A 77 7.722 -6.872 -0.247 1.00 0.00 C ATOM 0 H LEU A 77 6.147 -3.083 0.100 1.00 0.00 H new ATOM 0 HA LEU A 77 8.804 -4.043 0.163 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.643 -4.159 -1.970 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.130 -5.085 -2.020 1.00 0.00 H new ATOM 0 HG LEU A 77 6.355 -5.359 0.380 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.070 -7.124 -0.760 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.811 -5.530 -1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.880 -6.717 -2.292 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.225 -7.665 0.312 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.119 -7.278 -1.177 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.539 -6.464 0.349 1.00 0.00 H new ATOM 1144 N CYS A 78 8.161 -2.054 -2.408 1.00 0.00 N ATOM 1145 CA CYS A 78 8.774 -1.126 -3.350 1.00 0.00 C ATOM 1146 C CYS A 78 9.616 -0.085 -2.618 1.00 0.00 C ATOM 1147 O CYS A 78 10.759 0.180 -2.992 1.00 0.00 O ATOM 1148 CB CYS A 78 7.699 -0.432 -4.187 1.00 0.00 C ATOM 1149 SG CYS A 78 6.929 -1.502 -5.445 1.00 0.00 S ATOM 0 H CYS A 78 7.169 -2.226 -2.571 1.00 0.00 H new ATOM 0 HA CYS A 78 9.427 -1.696 -4.011 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.922 -0.055 -3.521 1.00 0.00 H new ATOM 0 HB3 CYS A 78 8.141 0.432 -4.682 1.00 0.00 H new ATOM 0 HG CYS A 78 5.962 -2.182 -4.904 1.00 0.00 H new ATOM 1154 N TYR A 79 9.043 0.502 -1.573 1.00 0.00 N ATOM 1155 CA TYR A 79 9.739 1.516 -0.789 1.00 0.00 C ATOM 1156 C TYR A 79 11.070 0.983 -0.268 1.00 0.00 C ATOM 1157 O TYR A 79 12.135 1.477 -0.636 1.00 0.00 O ATOM 1158 CB TYR A 79 8.867 1.974 0.381 1.00 0.00 C ATOM 1159 CG TYR A 79 9.533 3.002 1.267 1.00 0.00 C ATOM 1160 CD1 TYR A 79 10.566 2.644 2.124 1.00 0.00 C ATOM 1161 CD2 TYR A 79 9.129 4.331 1.246 1.00 0.00 C ATOM 1162 CE1 TYR A 79 11.177 3.580 2.936 1.00 0.00 C ATOM 1163 CE2 TYR A 79 9.736 5.274 2.054 1.00 0.00 C ATOM 1164 CZ TYR A 79 10.759 4.894 2.897 1.00 0.00 C ATOM 1165 OH TYR A 79 11.366 5.829 3.703 1.00 0.00 O ATOM 0 H TYR A 79 8.099 0.293 -1.249 1.00 0.00 H new ATOM 0 HA TYR A 79 9.939 2.368 -1.439 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.939 2.391 -0.010 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.598 1.107 0.984 1.00 0.00 H new ATOM 0 HD1 TYR A 79 10.897 1.617 2.156 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.328 4.632 0.588 1.00 0.00 H new ATOM 0 HE1 TYR A 79 11.978 3.284 3.598 1.00 0.00 H new ATOM 0 HE2 TYR A 79 9.411 6.303 2.025 1.00 0.00 H new ATOM 0 HH TYR A 79 11.466 6.670 3.210 1.00 0.00 H new ATOM 1175 N GLU A 80 10.999 -0.029 0.591 1.00 0.00 N ATOM 1176 CA GLU A 80 12.198 -0.629 1.164 1.00 0.00 C ATOM 1177 C GLU A 80 13.184 -1.026 0.068 1.00 0.00 C ATOM 1178 O GLU A 80 14.397 -0.889 0.230 1.00 0.00 O ATOM 1179 CB GLU A 80 11.831 -1.856 2.002 1.00 0.00 C ATOM 1180 CG GLU A 80 13.026 -2.715 2.379 1.00 0.00 C ATOM 1181 CD GLU A 80 12.620 -4.053 2.966 1.00 0.00 C ATOM 1182 OE1 GLU A 80 11.591 -4.104 3.672 1.00 0.00 O ATOM 1183 OE2 GLU A 80 13.331 -5.049 2.719 1.00 0.00 O ATOM 0 H GLU A 80 10.125 -0.450 0.905 1.00 0.00 H new ATOM 0 HA GLU A 80 12.673 0.113 1.806 1.00 0.00 H new ATOM 0 HB2 GLU A 80 11.329 -1.527 2.912 1.00 0.00 H new ATOM 0 HB3 GLU A 80 11.117 -2.465 1.447 1.00 0.00 H new ATOM 0 HG2 GLU A 80 13.642 -2.882 1.495 1.00 0.00 H new ATOM 0 HG3 GLU A 80 13.642 -2.178 3.100 1.00 0.00 H new ATOM 1190 N LYS A 81 12.655 -1.517 -1.047 1.00 0.00 N ATOM 1191 CA LYS A 81 13.486 -1.933 -2.170 1.00 0.00 C ATOM 1192 C LYS A 81 14.387 -0.792 -2.632 1.00 0.00 C ATOM 1193 O LYS A 81 15.572 -0.992 -2.898 1.00 0.00 O ATOM 1194 CB LYS A 81 12.609 -2.408 -3.331 1.00 0.00 C ATOM 1195 CG LYS A 81 12.309 -3.896 -3.298 1.00 0.00 C ATOM 1196 CD LYS A 81 12.056 -4.445 -4.692 1.00 0.00 C ATOM 1197 CE LYS A 81 10.831 -3.808 -5.328 1.00 0.00 C ATOM 1198 NZ LYS A 81 10.501 -4.429 -6.641 1.00 0.00 N ATOM 0 H LYS A 81 11.653 -1.637 -1.197 1.00 0.00 H new ATOM 0 HA LYS A 81 14.116 -2.758 -1.838 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.669 -1.856 -3.315 1.00 0.00 H new ATOM 0 HB3 LYS A 81 13.104 -2.167 -4.272 1.00 0.00 H new ATOM 0 HG2 LYS A 81 13.145 -4.427 -2.843 1.00 0.00 H new ATOM 0 HG3 LYS A 81 11.437 -4.078 -2.670 1.00 0.00 H new ATOM 0 HD2 LYS A 81 12.929 -4.264 -5.319 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.920 -5.525 -4.640 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.979 -3.907 -4.655 1.00 0.00 H new ATOM 0 HE3 LYS A 81 11.006 -2.741 -5.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 9.660 -3.967 -7.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 11.304 -4.312 -7.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 10.309 -5.442 -6.507 1.00 0.00 H new ATOM 1212 N PHE A 82 13.817 0.405 -2.725 1.00 0.00 N ATOM 1213 CA PHE A 82 14.569 1.578 -3.155 1.00 0.00 C ATOM 1214 C PHE A 82 14.990 2.423 -1.957 1.00 0.00 C ATOM 1215 O PHE A 82 16.180 2.608 -1.700 1.00 0.00 O ATOM 1216 CB PHE A 82 13.732 2.421 -4.120 1.00 0.00 C ATOM 1217 CG PHE A 82 13.094 1.619 -5.218 1.00 0.00 C ATOM 1218 CD1 PHE A 82 13.861 1.092 -6.244 1.00 0.00 C ATOM 1219 CD2 PHE A 82 11.727 1.393 -5.224 1.00 0.00 C ATOM 1220 CE1 PHE A 82 13.276 0.355 -7.256 1.00 0.00 C ATOM 1221 CE2 PHE A 82 11.137 0.656 -6.233 1.00 0.00 C ATOM 1222 CZ PHE A 82 11.913 0.135 -7.250 1.00 0.00 C ATOM 0 H PHE A 82 12.837 0.588 -2.508 1.00 0.00 H new ATOM 0 HA PHE A 82 15.467 1.235 -3.669 1.00 0.00 H new ATOM 0 HB2 PHE A 82 12.953 2.936 -3.558 1.00 0.00 H new ATOM 0 HB3 PHE A 82 14.366 3.189 -4.563 1.00 0.00 H new ATOM 0 HD1 PHE A 82 14.928 1.259 -6.253 1.00 0.00 H new ATOM 0 HD2 PHE A 82 11.116 1.798 -4.431 1.00 0.00 H new ATOM 0 HE1 PHE A 82 13.885 -0.049 -8.051 1.00 0.00 H new ATOM 0 HE2 PHE A 82 10.070 0.488 -6.226 1.00 0.00 H new ATOM 0 HZ PHE A 82 11.455 -0.443 -8.039 1.00 0.00 H new ATOM 1232 N PHE A 83 14.005 2.936 -1.227 1.00 0.00 N ATOM 1233 CA PHE A 83 14.271 3.763 -0.056 1.00 0.00 C ATOM 1234 C PHE A 83 15.306 3.104 0.852 1.00 0.00 C ATOM 1235 O PHE A 83 16.368 3.669 1.113 1.00 0.00 O ATOM 1236 CB PHE A 83 12.979 4.013 0.724 1.00 0.00 C ATOM 1237 CG PHE A 83 12.098 5.060 0.104 1.00 0.00 C ATOM 1238 CD1 PHE A 83 11.382 4.787 -1.050 1.00 0.00 C ATOM 1239 CD2 PHE A 83 11.986 6.317 0.676 1.00 0.00 C ATOM 1240 CE1 PHE A 83 10.570 5.748 -1.623 1.00 0.00 C ATOM 1241 CE2 PHE A 83 11.176 7.282 0.108 1.00 0.00 C ATOM 1242 CZ PHE A 83 10.468 6.998 -1.043 1.00 0.00 C ATOM 0 H PHE A 83 13.015 2.793 -1.426 1.00 0.00 H new ATOM 0 HA PHE A 83 14.670 4.717 -0.400 1.00 0.00 H new ATOM 0 HB2 PHE A 83 12.422 3.079 0.799 1.00 0.00 H new ATOM 0 HB3 PHE A 83 13.230 4.316 1.740 1.00 0.00 H new ATOM 0 HD1 PHE A 83 11.459 3.812 -1.508 1.00 0.00 H new ATOM 0 HD2 PHE A 83 12.538 6.545 1.576 1.00 0.00 H new ATOM 0 HE1 PHE A 83 10.016 5.522 -2.522 1.00 0.00 H new ATOM 0 HE2 PHE A 83 11.097 8.258 0.564 1.00 0.00 H new ATOM 0 HZ PHE A 83 9.836 7.751 -1.489 1.00 0.00 H new ATOM 1252 N ALA A 84 14.988 1.905 1.329 1.00 0.00 N ATOM 1253 CA ALA A 84 15.890 1.168 2.205 1.00 0.00 C ATOM 1254 C ALA A 84 16.987 0.473 1.406 1.00 0.00 C ATOM 1255 O ALA A 84 17.174 -0.739 1.514 1.00 0.00 O ATOM 1256 CB ALA A 84 15.112 0.154 3.030 1.00 0.00 C ATOM 0 H ALA A 84 14.113 1.424 1.123 1.00 0.00 H new ATOM 0 HA ALA A 84 16.365 1.881 2.879 1.00 0.00 H new ATOM 0 HB1 ALA A 84 15.798 -0.389 3.680 1.00 0.00 H new ATOM 0 HB2 ALA A 84 14.370 0.672 3.638 1.00 0.00 H new ATOM 0 HB3 ALA A 84 14.610 -0.548 2.364 1.00 0.00 H new