USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 652 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 19 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0538) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -122:sc= -3.91! (180deg=-8.43!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0401) USER MOD Single : A 30 THR OG1 : rot 64:sc= 0.0257 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -0.0582 X(o=-0.058,f=-0.043) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 87:sc= -0.418 USER MOD Single : A 44 GLN : amide:sc= -0.417 K(o=-0.42,f=-3!) USER MOD Single : A 45 MET CE :methyl 168:sc= -10.2! (180deg=-11.4!) USER MOD Single : A 46 SER OG : rot -120:sc= -2.2 USER MOD Single : A 48 GLN : amide:sc= -0.0023 X(o=-0.0023,f=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot 170:sc= -1.73 USER MOD Single : A 53 THR OG1 : rot -15:sc= 0.0283 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS :FLIP no HD1:sc= -0.503 F(o=-2.4,f=-0.5) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -1.24 K(o=-1.2,f=-2.3!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 90 N LEU A 10 -7.911 -8.954 -3.240 1.00 0.00 N ATOM 91 CA LEU A 10 -6.798 -8.100 -2.861 1.00 0.00 C ATOM 92 C LEU A 10 -6.414 -7.213 -4.046 1.00 0.00 C ATOM 93 O LEU A 10 -6.660 -6.008 -4.030 1.00 0.00 O ATOM 94 CB LEU A 10 -5.638 -8.941 -2.321 1.00 0.00 C ATOM 95 CG LEU A 10 -4.404 -8.163 -1.860 1.00 0.00 C ATOM 96 CD1 LEU A 10 -4.591 -7.629 -0.439 1.00 0.00 C ATOM 97 CD2 LEU A 10 -3.140 -9.015 -1.991 1.00 0.00 C ATOM 0 HA LEU A 10 -7.088 -7.436 -2.047 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.004 -9.533 -1.482 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.332 -9.643 -3.097 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.280 -7.299 -2.514 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.699 -7.080 -0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.454 -6.963 -0.411 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.753 -8.462 0.244 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.277 -8.439 -1.657 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.239 -9.910 -1.377 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.002 -9.304 -3.033 1.00 0.00 H new ATOM 109 N GLU A 11 -5.818 -7.843 -5.048 1.00 0.00 N ATOM 110 CA GLU A 11 -5.397 -7.126 -6.239 1.00 0.00 C ATOM 111 C GLU A 11 -6.475 -6.127 -6.665 1.00 0.00 C ATOM 112 O GLU A 11 -6.296 -4.918 -6.527 1.00 0.00 O ATOM 113 CB GLU A 11 -5.069 -8.096 -7.376 1.00 0.00 C ATOM 114 CG GLU A 11 -4.522 -7.348 -8.594 1.00 0.00 C ATOM 115 CD GLU A 11 -3.939 -8.323 -9.619 1.00 0.00 C ATOM 116 OE1 GLU A 11 -3.839 -9.520 -9.272 1.00 0.00 O ATOM 117 OE2 GLU A 11 -3.607 -7.850 -10.727 1.00 0.00 O ATOM 0 H GLU A 11 -5.617 -8.843 -5.059 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.488 -6.573 -6.004 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.337 -8.828 -7.035 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.965 -8.649 -7.657 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.319 -6.764 -9.055 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.752 -6.644 -8.278 1.00 0.00 H new ATOM 124 N GLU A 12 -7.572 -6.669 -7.175 1.00 0.00 N ATOM 125 CA GLU A 12 -8.678 -5.841 -7.621 1.00 0.00 C ATOM 126 C GLU A 12 -8.882 -4.665 -6.663 1.00 0.00 C ATOM 127 O GLU A 12 -9.137 -3.543 -7.097 1.00 0.00 O ATOM 128 CB GLU A 12 -9.960 -6.665 -7.759 1.00 0.00 C ATOM 129 CG GLU A 12 -9.987 -7.809 -6.743 1.00 0.00 C ATOM 130 CD GLU A 12 -11.425 -8.216 -6.415 1.00 0.00 C ATOM 131 OE1 GLU A 12 -12.321 -7.379 -6.656 1.00 0.00 O ATOM 132 OE2 GLU A 12 -11.596 -9.356 -5.930 1.00 0.00 O ATOM 0 H GLU A 12 -7.717 -7.672 -7.289 1.00 0.00 H new ATOM 0 HA GLU A 12 -8.433 -5.443 -8.606 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -10.828 -6.022 -7.612 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -10.030 -7.069 -8.769 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -9.444 -8.666 -7.141 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -9.475 -7.503 -5.831 1.00 0.00 H new ATOM 139 N GLU A 13 -8.763 -4.964 -5.378 1.00 0.00 N ATOM 140 CA GLU A 13 -8.931 -3.946 -4.354 1.00 0.00 C ATOM 141 C GLU A 13 -7.756 -2.967 -4.382 1.00 0.00 C ATOM 142 O GLU A 13 -7.954 -1.757 -4.481 1.00 0.00 O ATOM 143 CB GLU A 13 -9.083 -4.580 -2.970 1.00 0.00 C ATOM 144 CG GLU A 13 -8.508 -3.670 -1.884 1.00 0.00 C ATOM 145 CD GLU A 13 -9.094 -4.014 -0.513 1.00 0.00 C ATOM 146 OE1 GLU A 13 -8.706 -5.076 0.020 1.00 0.00 O ATOM 147 OE2 GLU A 13 -9.917 -3.207 -0.029 1.00 0.00 O ATOM 0 H GLU A 13 -8.552 -5.896 -5.022 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.846 -3.392 -4.566 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -10.137 -4.772 -2.768 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.574 -5.543 -2.949 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.423 -3.772 -1.856 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.724 -2.629 -2.125 1.00 0.00 H new ATOM 154 N LEU A 14 -6.558 -3.526 -4.293 1.00 0.00 N ATOM 155 CA LEU A 14 -5.351 -2.717 -4.306 1.00 0.00 C ATOM 156 C LEU A 14 -5.441 -1.694 -5.440 1.00 0.00 C ATOM 157 O LEU A 14 -5.030 -0.546 -5.279 1.00 0.00 O ATOM 158 CB LEU A 14 -4.109 -3.608 -4.379 1.00 0.00 C ATOM 159 CG LEU A 14 -3.866 -4.519 -3.174 1.00 0.00 C ATOM 160 CD1 LEU A 14 -2.840 -5.604 -3.505 1.00 0.00 C ATOM 161 CD2 LEU A 14 -3.462 -3.705 -1.943 1.00 0.00 C ATOM 0 H LEU A 14 -6.397 -4.530 -4.212 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.258 -2.156 -3.376 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.184 -4.230 -5.271 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.235 -2.970 -4.509 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.802 -5.023 -2.933 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.686 -6.238 -2.632 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.206 -6.211 -4.333 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.896 -5.138 -3.787 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.295 -4.377 -1.101 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.545 -3.155 -2.155 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.257 -3.002 -1.694 1.00 0.00 H new ATOM 173 N LEU A 15 -5.981 -2.147 -6.562 1.00 0.00 N ATOM 174 CA LEU A 15 -6.130 -1.286 -7.723 1.00 0.00 C ATOM 175 C LEU A 15 -6.993 -0.079 -7.349 1.00 0.00 C ATOM 176 O LEU A 15 -6.516 1.054 -7.348 1.00 0.00 O ATOM 177 CB LEU A 15 -6.666 -2.081 -8.915 1.00 0.00 C ATOM 178 CG LEU A 15 -5.743 -3.170 -9.465 1.00 0.00 C ATOM 179 CD1 LEU A 15 -6.521 -4.457 -9.746 1.00 0.00 C ATOM 180 CD2 LEU A 15 -4.987 -2.675 -10.700 1.00 0.00 C ATOM 0 H LEU A 15 -6.321 -3.100 -6.692 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.161 -0.900 -8.038 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.608 -2.545 -8.623 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.891 -1.382 -9.721 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.998 -3.404 -8.704 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.842 -5.215 -10.136 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.975 -4.817 -8.823 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.302 -4.257 -10.480 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.338 -3.468 -11.071 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.700 -2.397 -11.476 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.384 -1.807 -10.434 1.00 0.00 H new ATOM 192 N ARG A 16 -8.250 -0.364 -7.041 1.00 0.00 N ATOM 193 CA ARG A 16 -9.185 0.684 -6.667 1.00 0.00 C ATOM 194 C ARG A 16 -8.492 1.722 -5.781 1.00 0.00 C ATOM 195 O ARG A 16 -8.746 2.919 -5.907 1.00 0.00 O ATOM 196 CB ARG A 16 -10.388 0.107 -5.918 1.00 0.00 C ATOM 197 CG ARG A 16 -11.344 -0.601 -6.881 1.00 0.00 C ATOM 198 CD ARG A 16 -11.722 -1.988 -6.357 1.00 0.00 C ATOM 199 NE ARG A 16 -12.577 -1.860 -5.156 1.00 0.00 N ATOM 200 CZ ARG A 16 -13.863 -1.486 -5.186 1.00 0.00 C ATOM 201 NH1 ARG A 16 -14.451 -1.200 -6.356 1.00 0.00 N ATOM 202 NH2 ARG A 16 -14.562 -1.397 -4.046 1.00 0.00 N ATOM 0 H ARG A 16 -8.643 -1.305 -7.043 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.535 1.159 -7.584 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.045 -0.595 -5.158 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.916 0.907 -5.398 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -12.244 -0.000 -7.013 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -10.876 -0.694 -7.861 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -12.249 -2.547 -7.131 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.821 -2.552 -6.114 1.00 0.00 H new ATOM 0 HE ARG A 16 -12.161 -2.070 -4.249 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -13.919 -1.267 -7.224 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -15.430 -0.915 -6.379 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -14.115 -1.614 -3.155 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -15.541 -1.112 -4.069 1.00 0.00 H new ATOM 216 N ILE A 17 -7.631 1.225 -4.905 1.00 0.00 N ATOM 217 CA ILE A 17 -6.900 2.094 -3.999 1.00 0.00 C ATOM 218 C ILE A 17 -5.963 2.994 -4.808 1.00 0.00 C ATOM 219 O ILE A 17 -6.131 4.213 -4.826 1.00 0.00 O ATOM 220 CB ILE A 17 -6.186 1.270 -2.926 1.00 0.00 C ATOM 221 CG1 ILE A 17 -7.160 0.841 -1.826 1.00 0.00 C ATOM 222 CG2 ILE A 17 -4.983 2.029 -2.362 1.00 0.00 C ATOM 223 CD1 ILE A 17 -6.794 -0.540 -1.279 1.00 0.00 C ATOM 0 H ILE A 17 -7.423 0.232 -4.804 1.00 0.00 H new ATOM 0 HA ILE A 17 -7.586 2.748 -3.462 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.804 0.361 -3.391 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -7.146 1.572 -1.017 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.176 0.822 -2.221 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.493 1.421 -1.601 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.278 2.242 -3.165 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.320 2.965 -1.917 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -7.501 -0.821 -0.499 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.832 -1.273 -2.085 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.787 -0.511 -0.863 1.00 0.00 H new ATOM 235 N ALA A 18 -4.998 2.359 -5.456 1.00 0.00 N ATOM 236 CA ALA A 18 -4.035 3.088 -6.264 1.00 0.00 C ATOM 237 C ALA A 18 -4.776 4.078 -7.165 1.00 0.00 C ATOM 238 O ALA A 18 -4.604 5.289 -7.036 1.00 0.00 O ATOM 239 CB ALA A 18 -3.185 2.097 -7.063 1.00 0.00 C ATOM 0 H ALA A 18 -4.862 1.348 -5.438 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.359 3.662 -5.630 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.463 2.643 -7.669 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.656 1.435 -6.377 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.830 1.505 -7.713 1.00 0.00 H new ATOM 245 N LYS A 19 -5.585 3.526 -8.057 1.00 0.00 N ATOM 246 CA LYS A 19 -6.353 4.345 -8.979 1.00 0.00 C ATOM 247 C LYS A 19 -6.909 5.560 -8.233 1.00 0.00 C ATOM 248 O LYS A 19 -7.067 6.632 -8.816 1.00 0.00 O ATOM 249 CB LYS A 19 -7.427 3.506 -9.675 1.00 0.00 C ATOM 250 CG LYS A 19 -7.382 3.706 -11.191 1.00 0.00 C ATOM 251 CD LYS A 19 -8.784 3.950 -11.754 1.00 0.00 C ATOM 252 CE LYS A 19 -9.302 2.713 -12.489 1.00 0.00 C ATOM 253 NZ LYS A 19 -8.604 2.549 -13.783 1.00 0.00 N ATOM 0 H LYS A 19 -5.725 2.521 -8.161 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.713 4.725 -9.775 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.280 2.452 -9.439 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.411 3.783 -9.297 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.738 4.552 -11.431 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.944 2.827 -11.664 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.466 4.208 -10.943 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.763 4.800 -12.436 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.151 1.827 -11.873 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -10.375 2.805 -12.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -9.118 1.861 -14.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.566 3.464 -14.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.637 2.206 -13.615 1.00 0.00 H new ATOM 267 N LYS A 20 -7.191 5.351 -6.955 1.00 0.00 N ATOM 268 CA LYS A 20 -7.726 6.416 -6.124 1.00 0.00 C ATOM 269 C LYS A 20 -6.597 7.376 -5.742 1.00 0.00 C ATOM 270 O LYS A 20 -6.700 8.581 -5.967 1.00 0.00 O ATOM 271 CB LYS A 20 -8.470 5.833 -4.921 1.00 0.00 C ATOM 272 CG LYS A 20 -9.980 6.037 -5.059 1.00 0.00 C ATOM 273 CD LYS A 20 -10.646 6.152 -3.686 1.00 0.00 C ATOM 274 CE LYS A 20 -10.364 7.516 -3.053 1.00 0.00 C ATOM 275 NZ LYS A 20 -11.574 8.368 -3.097 1.00 0.00 N ATOM 0 H LYS A 20 -7.059 4.461 -6.475 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.465 6.996 -6.677 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.250 4.769 -4.833 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.117 6.308 -4.006 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.177 6.938 -5.639 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.415 5.202 -5.609 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.722 6.009 -3.787 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.279 5.361 -3.032 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.042 7.385 -2.020 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.547 8.007 -3.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.365 9.290 -2.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.864 8.508 -4.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.344 7.905 -2.573 1.00 0.00 H new ATOM 289 N LEU A 21 -5.545 6.805 -5.173 1.00 0.00 N ATOM 290 CA LEU A 21 -4.399 7.595 -4.758 1.00 0.00 C ATOM 291 C LEU A 21 -3.859 8.372 -5.960 1.00 0.00 C ATOM 292 O LEU A 21 -3.500 9.542 -5.838 1.00 0.00 O ATOM 293 CB LEU A 21 -3.353 6.707 -4.080 1.00 0.00 C ATOM 294 CG LEU A 21 -3.837 5.908 -2.868 1.00 0.00 C ATOM 295 CD1 LEU A 21 -2.931 4.702 -2.610 1.00 0.00 C ATOM 296 CD2 LEU A 21 -3.962 6.805 -1.635 1.00 0.00 C ATOM 0 H LEU A 21 -5.463 5.805 -4.990 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.694 8.330 -4.009 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.964 6.007 -4.820 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.519 7.336 -3.767 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.832 5.522 -3.088 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.297 4.151 -1.744 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.936 4.050 -3.483 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.914 5.045 -2.419 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.308 6.213 -0.788 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.990 7.240 -1.401 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.677 7.602 -1.836 1.00 0.00 H new ATOM 308 N GLU A 22 -3.817 7.690 -7.095 1.00 0.00 N ATOM 309 CA GLU A 22 -3.327 8.302 -8.319 1.00 0.00 C ATOM 310 C GLU A 22 -4.082 9.602 -8.602 1.00 0.00 C ATOM 311 O GLU A 22 -3.479 10.671 -8.675 1.00 0.00 O ATOM 312 CB GLU A 22 -3.439 7.334 -9.499 1.00 0.00 C ATOM 313 CG GLU A 22 -2.620 6.067 -9.249 1.00 0.00 C ATOM 314 CD GLU A 22 -1.208 6.205 -9.822 1.00 0.00 C ATOM 315 OE1 GLU A 22 -0.391 6.882 -9.162 1.00 0.00 O ATOM 316 OE2 GLU A 22 -0.978 5.630 -10.908 1.00 0.00 O ATOM 0 H GLU A 22 -4.114 6.719 -7.193 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.272 8.540 -8.186 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.484 7.070 -9.659 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.091 7.823 -10.409 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.564 5.871 -8.178 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.119 5.211 -9.704 1.00 0.00 H new ATOM 323 N LYS A 23 -5.391 9.467 -8.753 1.00 0.00 N ATOM 324 CA LYS A 23 -6.235 10.618 -9.026 1.00 0.00 C ATOM 325 C LYS A 23 -6.030 11.667 -7.932 1.00 0.00 C ATOM 326 O LYS A 23 -5.931 12.859 -8.220 1.00 0.00 O ATOM 327 CB LYS A 23 -7.693 10.185 -9.198 1.00 0.00 C ATOM 328 CG LYS A 23 -8.205 9.475 -7.943 1.00 0.00 C ATOM 329 CD LYS A 23 -9.729 9.341 -7.973 1.00 0.00 C ATOM 330 CE LYS A 23 -10.148 7.974 -8.519 1.00 0.00 C ATOM 331 NZ LYS A 23 -11.486 8.054 -9.147 1.00 0.00 N ATOM 0 H LYS A 23 -5.888 8.578 -8.692 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.951 11.083 -9.970 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.313 11.057 -9.406 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.780 9.520 -10.057 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.751 8.487 -7.869 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.903 10.032 -7.056 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.129 9.473 -6.968 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.155 10.130 -8.592 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.417 7.628 -9.250 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.162 7.242 -7.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.755 7.118 -9.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.183 8.363 -8.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.461 8.737 -9.931 1.00 0.00 H new ATOM 345 N MET A 24 -5.973 11.186 -6.699 1.00 0.00 N ATOM 346 CA MET A 24 -5.781 12.067 -5.560 1.00 0.00 C ATOM 347 C MET A 24 -4.498 12.887 -5.711 1.00 0.00 C ATOM 348 O MET A 24 -4.419 14.016 -5.228 1.00 0.00 O ATOM 349 CB MET A 24 -5.707 11.235 -4.277 1.00 0.00 C ATOM 350 CG MET A 24 -7.074 10.641 -3.930 1.00 0.00 C ATOM 351 SD MET A 24 -7.508 11.050 -2.248 1.00 0.00 S ATOM 352 CE MET A 24 -6.703 9.710 -1.385 1.00 0.00 C ATOM 0 H MET A 24 -6.056 10.197 -6.464 1.00 0.00 H new ATOM 0 HA MET A 24 -6.626 12.754 -5.510 1.00 0.00 H new ATOM 0 HB2 MET A 24 -4.979 10.433 -4.400 1.00 0.00 H new ATOM 0 HB3 MET A 24 -5.358 11.859 -3.454 1.00 0.00 H new ATOM 0 HG2 MET A 24 -7.831 11.026 -4.613 1.00 0.00 H new ATOM 0 HG3 MET A 24 -7.052 9.558 -4.056 1.00 0.00 H new ATOM 0 HE1 MET A 24 -7.441 9.156 -0.805 1.00 0.00 H new ATOM 0 HE2 MET A 24 -6.233 9.042 -2.107 1.00 0.00 H new ATOM 0 HE3 MET A 24 -5.943 10.113 -0.716 1.00 0.00 H new ATOM 362 N VAL A 25 -3.526 12.288 -6.382 1.00 0.00 N ATOM 363 CA VAL A 25 -2.251 12.949 -6.603 1.00 0.00 C ATOM 364 C VAL A 25 -2.376 13.903 -7.793 1.00 0.00 C ATOM 365 O VAL A 25 -2.310 15.120 -7.627 1.00 0.00 O ATOM 366 CB VAL A 25 -1.146 11.907 -6.785 1.00 0.00 C ATOM 367 CG1 VAL A 25 0.149 12.560 -7.273 1.00 0.00 C ATOM 368 CG2 VAL A 25 -0.912 11.124 -5.492 1.00 0.00 C ATOM 0 H VAL A 25 -3.595 11.352 -6.780 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.975 13.547 -5.735 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.474 11.202 -7.549 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.918 11.797 -7.394 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.029 13.051 -8.230 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.482 13.298 -6.543 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.122 10.390 -5.649 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.617 11.811 -4.699 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.831 10.612 -5.205 1.00 0.00 H new ATOM 378 N SER A 26 -2.552 13.314 -8.967 1.00 0.00 N ATOM 379 CA SER A 26 -2.686 14.096 -10.184 1.00 0.00 C ATOM 380 C SER A 26 -3.594 15.302 -9.933 1.00 0.00 C ATOM 381 O SER A 26 -3.223 16.436 -10.233 1.00 0.00 O ATOM 382 CB SER A 26 -3.239 13.244 -11.328 1.00 0.00 C ATOM 383 OG SER A 26 -2.326 12.224 -11.723 1.00 0.00 O ATOM 0 H SER A 26 -2.605 12.304 -9.101 1.00 0.00 H new ATOM 0 HA SER A 26 -1.696 14.448 -10.475 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.180 12.789 -11.019 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.460 13.884 -12.182 1.00 0.00 H new ATOM 0 HG SER A 26 -2.716 11.701 -12.454 1.00 0.00 H new ATOM 389 N ARG A 27 -4.767 15.017 -9.387 1.00 0.00 N ATOM 390 CA ARG A 27 -5.730 16.064 -9.093 1.00 0.00 C ATOM 391 C ARG A 27 -5.192 16.989 -8.000 1.00 0.00 C ATOM 392 O ARG A 27 -5.527 18.172 -7.962 1.00 0.00 O ATOM 393 CB ARG A 27 -7.066 15.471 -8.639 1.00 0.00 C ATOM 394 CG ARG A 27 -7.741 14.705 -9.777 1.00 0.00 C ATOM 395 CD ARG A 27 -9.104 14.163 -9.341 1.00 0.00 C ATOM 396 NE ARG A 27 -10.187 14.943 -9.981 1.00 0.00 N ATOM 397 CZ ARG A 27 -10.594 14.765 -11.245 1.00 0.00 C ATOM 398 NH1 ARG A 27 -10.012 13.834 -12.012 1.00 0.00 N ATOM 399 NH2 ARG A 27 -11.585 15.519 -11.742 1.00 0.00 N ATOM 0 H ARG A 27 -5.072 14.075 -9.140 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.890 16.634 -10.008 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.903 14.803 -7.793 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -7.723 16.269 -8.293 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -7.865 15.361 -10.638 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -7.102 13.881 -10.094 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -9.191 13.112 -9.615 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.197 14.219 -8.256 1.00 0.00 H new ATOM 0 HE ARG A 27 -10.652 15.661 -9.425 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.258 13.260 -11.634 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -10.322 13.699 -12.974 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -12.029 16.228 -11.158 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -11.895 15.384 -12.704 1.00 0.00 H new ATOM 413 N LYS A 28 -4.366 16.415 -7.137 1.00 0.00 N ATOM 414 CA LYS A 28 -3.778 17.173 -6.046 1.00 0.00 C ATOM 415 C LYS A 28 -4.820 17.360 -4.941 1.00 0.00 C ATOM 416 O LYS A 28 -5.364 18.450 -4.774 1.00 0.00 O ATOM 417 CB LYS A 28 -3.189 18.487 -6.563 1.00 0.00 C ATOM 418 CG LYS A 28 -1.712 18.613 -6.182 1.00 0.00 C ATOM 419 CD LYS A 28 -1.395 20.021 -5.675 1.00 0.00 C ATOM 420 CE LYS A 28 -0.836 20.895 -6.799 1.00 0.00 C ATOM 421 NZ LYS A 28 -1.147 22.321 -6.550 1.00 0.00 N ATOM 0 H LYS A 28 -4.090 15.434 -7.172 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.943 16.626 -5.609 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.294 18.535 -7.647 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.748 19.327 -6.151 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.468 17.882 -5.412 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.089 18.385 -7.047 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.298 20.477 -5.269 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.673 19.964 -4.860 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.243 20.759 -6.871 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.261 20.585 -7.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.761 22.901 -7.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.178 22.449 -6.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.721 22.617 -5.649 1.00 0.00 H new ATOM 435 N LYS A 29 -5.066 16.279 -4.215 1.00 0.00 N ATOM 436 CA LYS A 29 -6.033 16.310 -3.131 1.00 0.00 C ATOM 437 C LYS A 29 -5.516 15.461 -1.968 1.00 0.00 C ATOM 438 O LYS A 29 -5.215 15.986 -0.897 1.00 0.00 O ATOM 439 CB LYS A 29 -7.415 15.887 -3.633 1.00 0.00 C ATOM 440 CG LYS A 29 -8.382 17.073 -3.640 1.00 0.00 C ATOM 441 CD LYS A 29 -9.001 17.284 -2.257 1.00 0.00 C ATOM 442 CE LYS A 29 -8.449 18.548 -1.596 1.00 0.00 C ATOM 443 NZ LYS A 29 -8.992 19.757 -2.254 1.00 0.00 N ATOM 0 H LYS A 29 -4.612 15.376 -4.356 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.152 17.327 -2.757 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.330 15.476 -4.639 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.810 15.095 -2.997 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.854 17.976 -3.947 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.170 16.900 -4.373 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.085 17.360 -2.348 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.794 16.419 -1.626 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.709 18.555 -0.538 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.361 18.552 -1.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.805 20.590 -1.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.536 19.883 -3.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.018 19.649 -2.386 1.00 0.00 H new ATOM 457 N THR A 30 -5.427 14.163 -2.218 1.00 0.00 N ATOM 458 CA THR A 30 -4.952 13.236 -1.205 1.00 0.00 C ATOM 459 C THR A 30 -5.442 13.663 0.180 1.00 0.00 C ATOM 460 O THR A 30 -4.647 13.794 1.110 1.00 0.00 O ATOM 461 CB THR A 30 -3.427 13.159 -1.313 1.00 0.00 C ATOM 462 OG1 THR A 30 -2.985 14.452 -0.908 1.00 0.00 O ATOM 463 CG2 THR A 30 -2.949 13.038 -2.761 1.00 0.00 C ATOM 0 H THR A 30 -5.676 13.731 -3.108 1.00 0.00 H new ATOM 0 HA THR A 30 -5.355 12.236 -1.364 1.00 0.00 H new ATOM 0 HB THR A 30 -3.064 12.307 -0.739 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.221 14.599 0.032 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.860 12.987 -2.782 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.363 12.134 -3.207 1.00 0.00 H new ATOM 0 HG23 THR A 30 -3.282 13.907 -3.328 1.00 0.00 H new ATOM 471 N GLU A 31 -6.747 13.867 0.274 1.00 0.00 N ATOM 472 CA GLU A 31 -7.353 14.276 1.530 1.00 0.00 C ATOM 473 C GLU A 31 -7.618 13.055 2.414 1.00 0.00 C ATOM 474 O GLU A 31 -7.508 13.134 3.636 1.00 0.00 O ATOM 475 CB GLU A 31 -8.639 15.067 1.287 1.00 0.00 C ATOM 476 CG GLU A 31 -8.833 16.142 2.359 1.00 0.00 C ATOM 477 CD GLU A 31 -10.204 16.010 3.025 1.00 0.00 C ATOM 478 OE1 GLU A 31 -11.110 15.467 2.357 1.00 0.00 O ATOM 479 OE2 GLU A 31 -10.316 16.457 4.187 1.00 0.00 O ATOM 0 H GLU A 31 -7.403 13.757 -0.500 1.00 0.00 H new ATOM 0 HA GLU A 31 -6.656 14.932 2.050 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.603 15.533 0.302 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.493 14.389 1.288 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.049 16.056 3.112 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.736 17.130 1.910 1.00 0.00 H new ATOM 486 N GLY A 32 -7.963 11.956 1.760 1.00 0.00 N ATOM 487 CA GLY A 32 -8.246 10.720 2.471 1.00 0.00 C ATOM 488 C GLY A 32 -7.393 9.570 1.931 1.00 0.00 C ATOM 489 O GLY A 32 -7.925 8.575 1.440 1.00 0.00 O ATOM 0 H GLY A 32 -8.053 11.895 0.746 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.050 10.855 3.535 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.303 10.472 2.371 1.00 0.00 H new ATOM 493 N ALA A 33 -6.084 9.744 2.041 1.00 0.00 N ATOM 494 CA ALA A 33 -5.153 8.733 1.570 1.00 0.00 C ATOM 495 C ALA A 33 -4.902 7.717 2.687 1.00 0.00 C ATOM 496 O ALA A 33 -4.710 6.532 2.421 1.00 0.00 O ATOM 497 CB ALA A 33 -3.864 9.407 1.095 1.00 0.00 C ATOM 0 H ALA A 33 -5.646 10.570 2.449 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.571 8.193 0.720 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.166 8.648 0.742 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.092 10.097 0.282 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -3.415 9.957 1.922 1.00 0.00 H new ATOM 503 N LEU A 34 -4.912 8.220 3.913 1.00 0.00 N ATOM 504 CA LEU A 34 -4.687 7.371 5.071 1.00 0.00 C ATOM 505 C LEU A 34 -5.490 6.078 4.913 1.00 0.00 C ATOM 506 O LEU A 34 -4.916 5.002 4.758 1.00 0.00 O ATOM 507 CB LEU A 34 -4.996 8.133 6.361 1.00 0.00 C ATOM 508 CG LEU A 34 -4.420 7.536 7.647 1.00 0.00 C ATOM 509 CD1 LEU A 34 -2.919 7.275 7.506 1.00 0.00 C ATOM 510 CD2 LEU A 34 -4.738 8.421 8.853 1.00 0.00 C ATOM 0 H LEU A 34 -5.072 9.204 4.130 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.636 7.088 5.139 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.621 9.151 6.257 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.079 8.201 6.469 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.899 6.572 7.821 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.535 6.851 8.434 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.747 6.575 6.688 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.405 8.213 7.295 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.317 7.974 9.754 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.305 9.410 8.703 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.819 8.511 8.963 1.00 0.00 H new ATOM 522 N ASP A 35 -6.806 6.227 4.959 1.00 0.00 N ATOM 523 CA ASP A 35 -7.694 5.085 4.823 1.00 0.00 C ATOM 524 C ASP A 35 -7.146 4.144 3.748 1.00 0.00 C ATOM 525 O ASP A 35 -7.011 2.943 3.979 1.00 0.00 O ATOM 526 CB ASP A 35 -9.096 5.524 4.397 1.00 0.00 C ATOM 527 CG ASP A 35 -10.242 4.868 5.171 1.00 0.00 C ATOM 528 OD1 ASP A 35 -9.947 4.289 6.238 1.00 0.00 O ATOM 529 OD2 ASP A 35 -11.386 4.961 4.677 1.00 0.00 O ATOM 0 H ASP A 35 -7.279 7.122 5.089 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.751 4.586 5.790 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -9.172 6.605 4.511 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.222 5.306 3.336 1.00 0.00 H new ATOM 534 N LEU A 36 -6.845 4.725 2.596 1.00 0.00 N ATOM 535 CA LEU A 36 -6.315 3.953 1.484 1.00 0.00 C ATOM 536 C LEU A 36 -5.012 3.277 1.914 1.00 0.00 C ATOM 537 O LEU A 36 -4.826 2.082 1.692 1.00 0.00 O ATOM 538 CB LEU A 36 -6.171 4.834 0.242 1.00 0.00 C ATOM 539 CG LEU A 36 -7.476 5.320 -0.391 1.00 0.00 C ATOM 540 CD1 LEU A 36 -7.242 6.575 -1.235 1.00 0.00 C ATOM 541 CD2 LEU A 36 -8.145 4.204 -1.196 1.00 0.00 C ATOM 0 H LEU A 36 -6.958 5.721 2.408 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.008 3.160 1.205 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.572 5.706 0.507 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.610 4.279 -0.510 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.162 5.594 0.410 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -8.186 6.900 -1.674 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.843 7.369 -0.604 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.530 6.351 -2.030 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -9.070 4.577 -1.635 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.474 3.875 -1.989 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.368 3.364 -0.538 1.00 0.00 H new ATOM 553 N LEU A 37 -4.142 4.072 2.521 1.00 0.00 N ATOM 554 CA LEU A 37 -2.862 3.565 2.984 1.00 0.00 C ATOM 555 C LEU A 37 -3.097 2.454 4.008 1.00 0.00 C ATOM 556 O LEU A 37 -2.401 1.440 4.001 1.00 0.00 O ATOM 557 CB LEU A 37 -1.990 4.709 3.506 1.00 0.00 C ATOM 558 CG LEU A 37 -1.733 5.858 2.529 1.00 0.00 C ATOM 559 CD1 LEU A 37 -1.465 7.165 3.277 1.00 0.00 C ATOM 560 CD2 LEU A 37 -0.602 5.510 1.559 1.00 0.00 C ATOM 0 H LEU A 37 -4.299 5.063 2.703 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.306 3.123 2.157 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.460 5.118 4.401 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.028 4.296 3.811 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.634 6.008 1.933 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.286 7.965 2.559 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.329 7.416 3.892 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.589 7.046 3.914 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.440 6.343 0.875 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.312 5.318 2.120 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.872 4.621 0.989 1.00 0.00 H new ATOM 572 N LYS A 38 -4.082 2.683 4.865 1.00 0.00 N ATOM 573 CA LYS A 38 -4.418 1.713 5.894 1.00 0.00 C ATOM 574 C LYS A 38 -4.625 0.342 5.249 1.00 0.00 C ATOM 575 O LYS A 38 -3.832 -0.574 5.460 1.00 0.00 O ATOM 576 CB LYS A 38 -5.618 2.195 6.713 1.00 0.00 C ATOM 577 CG LYS A 38 -5.210 3.310 7.678 1.00 0.00 C ATOM 578 CD LYS A 38 -6.157 3.369 8.879 1.00 0.00 C ATOM 579 CE LYS A 38 -6.459 4.817 9.268 1.00 0.00 C ATOM 580 NZ LYS A 38 -7.747 4.901 9.993 1.00 0.00 N ATOM 0 H LYS A 38 -4.657 3.525 4.868 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.597 1.611 6.604 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.399 2.556 6.043 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.040 1.360 7.273 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -4.190 3.142 8.023 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.217 4.267 7.157 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.086 2.852 8.640 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.710 2.847 9.725 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.656 5.207 9.894 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.497 5.440 8.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.937 5.891 10.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.512 4.549 9.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.698 4.323 10.856 1.00 0.00 H new ATOM 594 N LYS A 39 -5.696 0.243 4.475 1.00 0.00 N ATOM 595 CA LYS A 39 -6.018 -1.001 3.797 1.00 0.00 C ATOM 596 C LYS A 39 -4.731 -1.635 3.266 1.00 0.00 C ATOM 597 O LYS A 39 -4.514 -2.836 3.425 1.00 0.00 O ATOM 598 CB LYS A 39 -7.077 -0.766 2.718 1.00 0.00 C ATOM 599 CG LYS A 39 -8.487 -0.901 3.296 1.00 0.00 C ATOM 600 CD LYS A 39 -8.995 -2.340 3.172 1.00 0.00 C ATOM 601 CE LYS A 39 -10.506 -2.410 3.402 1.00 0.00 C ATOM 602 NZ LYS A 39 -10.854 -3.610 4.194 1.00 0.00 N ATOM 0 H LYS A 39 -6.352 1.005 4.302 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.460 -1.711 4.496 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.950 0.228 2.289 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.942 -1.483 1.908 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.485 -0.601 4.344 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.164 -0.226 2.773 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.756 -2.730 2.183 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.484 -2.974 3.897 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.843 -1.513 3.922 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -11.025 -2.436 2.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.883 -3.642 4.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.550 -4.463 3.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.374 -3.569 5.116 1.00 0.00 H new ATOM 616 N LEU A 40 -3.909 -0.800 2.647 1.00 0.00 N ATOM 617 CA LEU A 40 -2.649 -1.264 2.092 1.00 0.00 C ATOM 618 C LEU A 40 -1.791 -1.857 3.212 1.00 0.00 C ATOM 619 O LEU A 40 -1.309 -2.983 3.100 1.00 0.00 O ATOM 620 CB LEU A 40 -1.959 -0.140 1.317 1.00 0.00 C ATOM 621 CG LEU A 40 -2.675 0.342 0.054 1.00 0.00 C ATOM 622 CD1 LEU A 40 -1.945 1.533 -0.570 1.00 0.00 C ATOM 623 CD2 LEU A 40 -2.859 -0.804 -0.944 1.00 0.00 C ATOM 0 H LEU A 40 -4.091 0.195 2.518 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.821 -2.060 1.367 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.833 0.711 1.986 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.961 -0.478 1.038 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.670 0.686 0.336 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.475 1.856 -1.466 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.910 2.354 0.146 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.929 1.239 -0.835 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.370 -0.434 -1.833 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.884 -1.201 -1.226 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.454 -1.594 -0.485 1.00 0.00 H new ATOM 635 N ASN A 41 -1.626 -1.071 4.265 1.00 0.00 N ATOM 636 CA ASN A 41 -0.834 -1.503 5.405 1.00 0.00 C ATOM 637 C ASN A 41 -1.427 -2.794 5.972 1.00 0.00 C ATOM 638 O ASN A 41 -0.715 -3.596 6.574 1.00 0.00 O ATOM 639 CB ASN A 41 -0.845 -0.450 6.514 1.00 0.00 C ATOM 640 CG ASN A 41 -0.139 -0.969 7.769 1.00 0.00 C ATOM 641 OD1 ASN A 41 0.987 -1.437 7.731 1.00 0.00 O ATOM 642 ND2 ASN A 41 -0.862 -0.859 8.880 1.00 0.00 N ATOM 0 H ASN A 41 -2.027 -0.137 4.353 1.00 0.00 H new ATOM 0 HA ASN A 41 0.190 -1.657 5.065 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -0.352 0.457 6.164 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -1.873 -0.182 6.756 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -0.480 -1.176 9.771 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -1.799 -0.457 8.841 1.00 0.00 H new ATOM 649 N SER A 42 -2.725 -2.955 5.759 1.00 0.00 N ATOM 650 CA SER A 42 -3.422 -4.135 6.242 1.00 0.00 C ATOM 651 C SER A 42 -3.907 -4.976 5.060 1.00 0.00 C ATOM 652 O SER A 42 -5.048 -5.435 5.046 1.00 0.00 O ATOM 653 CB SER A 42 -4.600 -3.750 7.139 1.00 0.00 C ATOM 654 OG SER A 42 -4.651 -4.542 8.322 1.00 0.00 O ATOM 0 H SER A 42 -3.312 -2.288 5.258 1.00 0.00 H new ATOM 0 HA SER A 42 -2.725 -4.725 6.837 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.520 -2.697 7.411 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.531 -3.866 6.584 1.00 0.00 H new ATOM 0 HG SER A 42 -5.416 -4.264 8.869 1.00 0.00 H new ATOM 660 N CYS A 43 -3.015 -5.154 4.096 1.00 0.00 N ATOM 661 CA CYS A 43 -3.338 -5.932 2.912 1.00 0.00 C ATOM 662 C CYS A 43 -2.124 -6.792 2.556 1.00 0.00 C ATOM 663 O CYS A 43 -0.994 -6.305 2.553 1.00 0.00 O ATOM 664 CB CYS A 43 -3.766 -5.038 1.746 1.00 0.00 C ATOM 665 SG CYS A 43 -5.590 -4.906 1.695 1.00 0.00 S ATOM 0 H CYS A 43 -2.069 -4.773 4.111 1.00 0.00 H new ATOM 0 HA CYS A 43 -4.191 -6.578 3.120 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.324 -4.047 1.855 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.397 -5.450 0.807 1.00 0.00 H new ATOM 0 HG CYS A 43 -5.976 -3.931 2.464 1.00 0.00 H new ATOM 671 N GLN A 44 -2.398 -8.055 2.265 1.00 0.00 N ATOM 672 CA GLN A 44 -1.342 -8.987 1.909 1.00 0.00 C ATOM 673 C GLN A 44 -0.774 -8.644 0.530 1.00 0.00 C ATOM 674 O GLN A 44 -1.032 -9.349 -0.444 1.00 0.00 O ATOM 675 CB GLN A 44 -1.847 -10.430 1.950 1.00 0.00 C ATOM 676 CG GLN A 44 -1.019 -11.274 2.921 1.00 0.00 C ATOM 677 CD GLN A 44 -1.828 -11.622 4.172 1.00 0.00 C ATOM 678 OE1 GLN A 44 -3.007 -11.329 4.282 1.00 0.00 O ATOM 679 NE2 GLN A 44 -1.130 -12.262 5.107 1.00 0.00 N ATOM 0 H GLN A 44 -3.336 -8.455 2.269 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.542 -8.896 2.643 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.894 -10.444 2.252 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.798 -10.865 0.952 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.695 -12.190 2.427 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.119 -10.729 3.206 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -0.145 -12.477 4.951 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.580 -12.538 5.980 1.00 0.00 H new ATOM 688 N MET A 45 -0.012 -7.561 0.492 1.00 0.00 N ATOM 689 CA MET A 45 0.595 -7.116 -0.751 1.00 0.00 C ATOM 690 C MET A 45 1.629 -8.127 -1.249 1.00 0.00 C ATOM 691 O MET A 45 2.215 -8.863 -0.457 1.00 0.00 O ATOM 692 CB MET A 45 1.269 -5.760 -0.534 1.00 0.00 C ATOM 693 CG MET A 45 1.912 -5.253 -1.827 1.00 0.00 C ATOM 694 SD MET A 45 0.649 -4.894 -3.036 1.00 0.00 S ATOM 695 CE MET A 45 -0.139 -3.495 -2.256 1.00 0.00 C ATOM 0 H MET A 45 0.199 -6.978 1.302 1.00 0.00 H new ATOM 0 HA MET A 45 -0.188 -7.025 -1.504 1.00 0.00 H new ATOM 0 HB2 MET A 45 0.534 -5.037 -0.182 1.00 0.00 H new ATOM 0 HB3 MET A 45 2.028 -5.848 0.244 1.00 0.00 H new ATOM 0 HG2 MET A 45 2.498 -4.357 -1.624 1.00 0.00 H new ATOM 0 HG3 MET A 45 2.600 -6.002 -2.219 1.00 0.00 H new ATOM 0 HE1 MET A 45 -0.809 -3.012 -2.967 1.00 0.00 H new ATOM 0 HE2 MET A 45 -0.710 -3.834 -1.392 1.00 0.00 H new ATOM 0 HE3 MET A 45 0.621 -2.783 -1.932 1.00 0.00 H new ATOM 705 N SER A 46 1.822 -8.131 -2.560 1.00 0.00 N ATOM 706 CA SER A 46 2.776 -9.039 -3.173 1.00 0.00 C ATOM 707 C SER A 46 3.620 -8.292 -4.208 1.00 0.00 C ATOM 708 O SER A 46 3.152 -7.334 -4.821 1.00 0.00 O ATOM 709 CB SER A 46 2.065 -10.226 -3.826 1.00 0.00 C ATOM 710 OG SER A 46 0.745 -9.892 -4.247 1.00 0.00 O ATOM 0 H SER A 46 1.334 -7.520 -3.214 1.00 0.00 H new ATOM 0 HA SER A 46 3.430 -9.426 -2.391 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.644 -10.568 -4.684 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.021 -11.055 -3.120 1.00 0.00 H new ATOM 0 HG SER A 46 0.099 -10.469 -3.788 1.00 0.00 H new ATOM 716 N ILE A 47 4.850 -8.758 -4.369 1.00 0.00 N ATOM 717 CA ILE A 47 5.764 -8.146 -5.319 1.00 0.00 C ATOM 718 C ILE A 47 5.098 -8.087 -6.695 1.00 0.00 C ATOM 719 O ILE A 47 5.093 -7.040 -7.341 1.00 0.00 O ATOM 720 CB ILE A 47 7.108 -8.877 -5.316 1.00 0.00 C ATOM 721 CG1 ILE A 47 7.915 -8.536 -4.062 1.00 0.00 C ATOM 722 CG2 ILE A 47 7.891 -8.587 -6.598 1.00 0.00 C ATOM 723 CD1 ILE A 47 8.077 -7.022 -3.908 1.00 0.00 C ATOM 0 H ILE A 47 5.235 -9.552 -3.858 1.00 0.00 H new ATOM 0 HA ILE A 47 5.986 -7.119 -5.028 1.00 0.00 H new ATOM 0 HB ILE A 47 6.914 -9.949 -5.292 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.416 -8.943 -3.183 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.897 -9.006 -4.118 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.842 -9.118 -6.571 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.313 -8.920 -7.460 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.076 -7.516 -6.677 1.00 0.00 H new ATOM 0 HD11 ILE A 47 8.654 -6.807 -3.009 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.598 -6.621 -4.778 1.00 0.00 H new ATOM 0 HD13 ILE A 47 7.094 -6.557 -3.828 1.00 0.00 H new ATOM 735 N GLN A 48 4.553 -9.223 -7.103 1.00 0.00 N ATOM 736 CA GLN A 48 3.886 -9.314 -8.391 1.00 0.00 C ATOM 737 C GLN A 48 2.819 -8.225 -8.514 1.00 0.00 C ATOM 738 O GLN A 48 2.791 -7.487 -9.497 1.00 0.00 O ATOM 739 CB GLN A 48 3.279 -10.703 -8.597 1.00 0.00 C ATOM 740 CG GLN A 48 3.027 -10.976 -10.081 1.00 0.00 C ATOM 741 CD GLN A 48 2.341 -12.330 -10.281 1.00 0.00 C ATOM 742 OE1 GLN A 48 1.194 -12.532 -9.919 1.00 0.00 O ATOM 743 NE2 GLN A 48 3.106 -13.241 -10.874 1.00 0.00 N ATOM 0 H GLN A 48 4.559 -10.089 -6.564 1.00 0.00 H new ATOM 0 HA GLN A 48 4.628 -9.158 -9.174 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.950 -11.461 -8.193 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.342 -10.780 -8.045 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.406 -10.184 -10.500 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.972 -10.960 -10.623 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.059 -13.005 -11.152 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.740 -14.177 -11.052 1.00 0.00 H new ATOM 752 N LEU A 49 1.967 -8.159 -7.501 1.00 0.00 N ATOM 753 CA LEU A 49 0.900 -7.173 -7.484 1.00 0.00 C ATOM 754 C LEU A 49 1.509 -5.769 -7.491 1.00 0.00 C ATOM 755 O LEU A 49 1.095 -4.912 -8.270 1.00 0.00 O ATOM 756 CB LEU A 49 -0.045 -7.427 -6.308 1.00 0.00 C ATOM 757 CG LEU A 49 -0.873 -8.712 -6.378 1.00 0.00 C ATOM 758 CD1 LEU A 49 -1.782 -8.846 -5.155 1.00 0.00 C ATOM 759 CD2 LEU A 49 -1.659 -8.787 -7.688 1.00 0.00 C ATOM 0 H LEU A 49 1.994 -8.772 -6.686 1.00 0.00 H new ATOM 0 HA LEU A 49 0.287 -7.260 -8.381 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.545 -7.448 -5.392 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.729 -6.582 -6.228 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.189 -9.560 -6.364 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.359 -9.768 -5.230 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.174 -8.871 -4.251 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.461 -7.995 -5.112 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.239 -9.710 -7.712 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.333 -7.933 -7.757 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.966 -8.772 -8.529 1.00 0.00 H new ATOM 771 N LEU A 50 2.484 -5.577 -6.614 1.00 0.00 N ATOM 772 CA LEU A 50 3.154 -4.292 -6.509 1.00 0.00 C ATOM 773 C LEU A 50 3.442 -3.757 -7.913 1.00 0.00 C ATOM 774 O LEU A 50 3.518 -2.546 -8.115 1.00 0.00 O ATOM 775 CB LEU A 50 4.399 -4.408 -5.627 1.00 0.00 C ATOM 776 CG LEU A 50 4.197 -4.114 -4.139 1.00 0.00 C ATOM 777 CD1 LEU A 50 5.218 -4.871 -3.287 1.00 0.00 C ATOM 778 CD2 LEU A 50 4.227 -2.609 -3.868 1.00 0.00 C ATOM 0 H LEU A 50 2.826 -6.290 -5.970 1.00 0.00 H new ATOM 0 HA LEU A 50 2.509 -3.564 -6.016 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.798 -5.418 -5.727 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.157 -3.726 -6.012 1.00 0.00 H new ATOM 0 HG LEU A 50 3.209 -4.473 -3.851 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.052 -4.644 -2.234 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.105 -5.943 -3.450 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.225 -4.566 -3.570 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.081 -2.428 -2.803 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.190 -2.203 -4.176 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.431 -2.122 -4.431 1.00 0.00 H new ATOM 790 N GLN A 51 3.595 -4.685 -8.846 1.00 0.00 N ATOM 791 CA GLN A 51 3.873 -4.321 -10.225 1.00 0.00 C ATOM 792 C GLN A 51 2.568 -4.043 -10.974 1.00 0.00 C ATOM 793 O GLN A 51 2.410 -2.986 -11.582 1.00 0.00 O ATOM 794 CB GLN A 51 4.687 -5.410 -10.926 1.00 0.00 C ATOM 795 CG GLN A 51 6.182 -5.239 -10.651 1.00 0.00 C ATOM 796 CD GLN A 51 7.020 -5.897 -11.750 1.00 0.00 C ATOM 797 OE1 GLN A 51 7.155 -5.390 -12.851 1.00 0.00 O ATOM 798 NE2 GLN A 51 7.574 -7.051 -11.390 1.00 0.00 N ATOM 0 H GLN A 51 3.532 -5.688 -8.674 1.00 0.00 H new ATOM 0 HA GLN A 51 4.471 -3.410 -10.226 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.360 -6.391 -10.582 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.504 -5.371 -12.000 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.425 -4.178 -10.589 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.431 -5.680 -9.686 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.420 -7.420 -10.451 1.00 0.00 H new ATOM 0 HE22 GLN A 51 8.153 -7.568 -12.052 1.00 0.00 H new ATOM 807 N THR A 52 1.666 -5.012 -10.906 1.00 0.00 N ATOM 808 CA THR A 52 0.380 -4.886 -11.570 1.00 0.00 C ATOM 809 C THR A 52 -0.404 -3.706 -10.993 1.00 0.00 C ATOM 810 O THR A 52 -0.774 -2.786 -11.720 1.00 0.00 O ATOM 811 CB THR A 52 -0.351 -6.223 -11.443 1.00 0.00 C ATOM 812 OG1 THR A 52 -0.685 -6.306 -10.060 1.00 0.00 O ATOM 813 CG2 THR A 52 0.573 -7.420 -11.675 1.00 0.00 C ATOM 0 H THR A 52 1.801 -5.888 -10.401 1.00 0.00 H new ATOM 0 HA THR A 52 0.502 -4.667 -12.631 1.00 0.00 H new ATOM 0 HB THR A 52 -1.174 -6.256 -12.157 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.297 -7.057 -9.916 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.004 -8.344 -11.573 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.997 -7.363 -12.678 1.00 0.00 H new ATOM 0 HG23 THR A 52 1.377 -7.407 -10.940 1.00 0.00 H new ATOM 821 N THR A 53 -0.636 -3.772 -9.690 1.00 0.00 N ATOM 822 CA THR A 53 -1.371 -2.721 -9.006 1.00 0.00 C ATOM 823 C THR A 53 -0.580 -1.412 -9.036 1.00 0.00 C ATOM 824 O THR A 53 -1.160 -0.330 -8.959 1.00 0.00 O ATOM 825 CB THR A 53 -1.685 -3.209 -7.590 1.00 0.00 C ATOM 826 OG1 THR A 53 -0.410 -3.528 -7.041 1.00 0.00 O ATOM 827 CG2 THR A 53 -2.438 -4.541 -7.583 1.00 0.00 C ATOM 0 H THR A 53 -0.328 -4.537 -9.090 1.00 0.00 H new ATOM 0 HA THR A 53 -2.314 -2.506 -9.508 1.00 0.00 H new ATOM 0 HB THR A 53 -2.276 -2.455 -7.070 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.252 -3.581 -7.761 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.636 -4.842 -6.554 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.382 -4.428 -8.116 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.833 -5.303 -8.074 1.00 0.00 H new ATOM 835 N ARG A 54 0.733 -1.553 -9.149 1.00 0.00 N ATOM 836 CA ARG A 54 1.609 -0.395 -9.190 1.00 0.00 C ATOM 837 C ARG A 54 1.293 0.551 -8.030 1.00 0.00 C ATOM 838 O ARG A 54 1.421 1.767 -8.163 1.00 0.00 O ATOM 839 CB ARG A 54 1.460 0.362 -10.511 1.00 0.00 C ATOM 840 CG ARG A 54 2.681 0.146 -11.407 1.00 0.00 C ATOM 841 CD ARG A 54 2.259 -0.139 -12.850 1.00 0.00 C ATOM 842 NE ARG A 54 2.788 0.910 -13.750 1.00 0.00 N ATOM 843 CZ ARG A 54 2.906 0.771 -15.077 1.00 0.00 C ATOM 844 NH1 ARG A 54 2.534 -0.372 -15.667 1.00 0.00 N ATOM 845 NH2 ARG A 54 3.397 1.777 -15.814 1.00 0.00 N ATOM 0 H ARG A 54 1.211 -2.452 -9.213 1.00 0.00 H new ATOM 0 HA ARG A 54 2.635 -0.752 -9.103 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.561 0.026 -11.028 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.334 1.426 -10.312 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.318 1.030 -11.379 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.273 -0.686 -11.026 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.630 -1.116 -13.160 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.172 -0.174 -12.919 1.00 0.00 H new ATOM 0 HE ARG A 54 3.081 1.794 -13.334 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.160 -1.138 -15.106 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.624 -0.477 -16.678 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.680 2.648 -15.364 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.487 1.672 -16.825 1.00 0.00 H new ATOM 859 N ILE A 55 0.887 -0.043 -6.917 1.00 0.00 N ATOM 860 CA ILE A 55 0.551 0.732 -5.734 1.00 0.00 C ATOM 861 C ILE A 55 1.822 1.374 -5.174 1.00 0.00 C ATOM 862 O ILE A 55 1.756 2.397 -4.493 1.00 0.00 O ATOM 863 CB ILE A 55 -0.198 -0.135 -4.721 1.00 0.00 C ATOM 864 CG1 ILE A 55 -0.765 0.717 -3.584 1.00 0.00 C ATOM 865 CG2 ILE A 55 0.693 -1.265 -4.201 1.00 0.00 C ATOM 866 CD1 ILE A 55 -1.991 1.505 -4.048 1.00 0.00 C ATOM 0 H ILE A 55 0.783 -1.052 -6.809 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.131 1.543 -5.990 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.044 -0.600 -5.228 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.036 0.076 -2.745 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.000 1.406 -3.225 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.136 -1.866 -3.482 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.007 -1.894 -5.034 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.572 -0.841 -3.715 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.374 2.102 -3.221 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.711 2.163 -4.871 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.763 0.813 -4.384 1.00 0.00 H new ATOM 878 N GLY A 56 2.948 0.748 -5.481 1.00 0.00 N ATOM 879 CA GLY A 56 4.232 1.245 -5.016 1.00 0.00 C ATOM 880 C GLY A 56 4.457 2.690 -5.469 1.00 0.00 C ATOM 881 O GLY A 56 4.818 3.547 -4.665 1.00 0.00 O ATOM 0 H GLY A 56 2.998 -0.099 -6.046 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.275 1.190 -3.928 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.032 0.611 -5.399 1.00 0.00 H new ATOM 885 N VAL A 57 4.233 2.914 -6.756 1.00 0.00 N ATOM 886 CA VAL A 57 4.407 4.239 -7.325 1.00 0.00 C ATOM 887 C VAL A 57 3.292 5.157 -6.819 1.00 0.00 C ATOM 888 O VAL A 57 3.520 6.342 -6.581 1.00 0.00 O ATOM 889 CB VAL A 57 4.461 4.150 -8.852 1.00 0.00 C ATOM 890 CG1 VAL A 57 3.222 3.441 -9.403 1.00 0.00 C ATOM 891 CG2 VAL A 57 4.622 5.537 -9.477 1.00 0.00 C ATOM 0 H VAL A 57 3.933 2.200 -7.420 1.00 0.00 H new ATOM 0 HA VAL A 57 5.355 4.671 -7.004 1.00 0.00 H new ATOM 0 HB VAL A 57 5.335 3.558 -9.123 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.285 3.391 -10.490 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.169 2.431 -8.996 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.328 3.995 -9.116 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.658 5.445 -10.563 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.777 6.164 -9.193 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.547 5.991 -9.121 1.00 0.00 H new ATOM 901 N ALA A 58 2.112 4.575 -6.670 1.00 0.00 N ATOM 902 CA ALA A 58 0.961 5.326 -6.196 1.00 0.00 C ATOM 903 C ALA A 58 1.300 5.975 -4.853 1.00 0.00 C ATOM 904 O ALA A 58 1.240 7.196 -4.717 1.00 0.00 O ATOM 905 CB ALA A 58 -0.252 4.398 -6.106 1.00 0.00 C ATOM 0 H ALA A 58 1.927 3.592 -6.869 1.00 0.00 H new ATOM 0 HA ALA A 58 0.709 6.125 -6.894 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.115 4.961 -5.751 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.468 3.986 -7.091 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.038 3.585 -5.412 1.00 0.00 H new ATOM 911 N VAL A 59 1.647 5.129 -3.893 1.00 0.00 N ATOM 912 CA VAL A 59 1.994 5.606 -2.566 1.00 0.00 C ATOM 913 C VAL A 59 2.983 6.767 -2.688 1.00 0.00 C ATOM 914 O VAL A 59 2.656 7.904 -2.351 1.00 0.00 O ATOM 915 CB VAL A 59 2.531 4.450 -1.719 1.00 0.00 C ATOM 916 CG1 VAL A 59 3.100 4.960 -0.393 1.00 0.00 C ATOM 917 CG2 VAL A 59 1.448 3.395 -1.482 1.00 0.00 C ATOM 0 H VAL A 59 1.695 4.117 -4.009 1.00 0.00 H new ATOM 0 HA VAL A 59 1.110 5.985 -2.053 1.00 0.00 H new ATOM 0 HB VAL A 59 3.343 3.978 -2.272 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.475 4.119 0.190 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.915 5.656 -0.591 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.316 5.469 0.168 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.856 2.585 -0.878 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.606 3.849 -0.960 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.110 2.999 -2.440 1.00 0.00 H new ATOM 927 N ASN A 60 4.173 6.440 -3.170 1.00 0.00 N ATOM 928 CA ASN A 60 5.212 7.442 -3.341 1.00 0.00 C ATOM 929 C ASN A 60 4.607 8.694 -3.978 1.00 0.00 C ATOM 930 O ASN A 60 4.812 9.805 -3.489 1.00 0.00 O ATOM 931 CB ASN A 60 6.322 6.932 -4.262 1.00 0.00 C ATOM 932 CG ASN A 60 7.497 7.911 -4.298 1.00 0.00 C ATOM 933 OD1 ASN A 60 7.554 8.825 -5.105 1.00 0.00 O ATOM 934 ND2 ASN A 60 8.430 7.671 -3.381 1.00 0.00 N ATOM 0 H ASN A 60 4.441 5.496 -3.447 1.00 0.00 H new ATOM 0 HA ASN A 60 5.631 7.664 -2.360 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.667 5.957 -3.917 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.929 6.793 -5.269 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.254 8.269 -3.324 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.321 6.889 -2.735 1.00 0.00 H new ATOM 941 N GLY A 61 3.873 8.475 -5.059 1.00 0.00 N ATOM 942 CA GLY A 61 3.237 9.572 -5.767 1.00 0.00 C ATOM 943 C GLY A 61 2.506 10.501 -4.796 1.00 0.00 C ATOM 944 O GLY A 61 2.359 11.693 -5.064 1.00 0.00 O ATOM 0 H GLY A 61 3.705 7.553 -5.462 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.988 10.136 -6.320 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.532 9.177 -6.499 1.00 0.00 H new ATOM 948 N VAL A 62 2.068 9.921 -3.689 1.00 0.00 N ATOM 949 CA VAL A 62 1.356 10.682 -2.676 1.00 0.00 C ATOM 950 C VAL A 62 2.363 11.277 -1.690 1.00 0.00 C ATOM 951 O VAL A 62 2.399 12.490 -1.490 1.00 0.00 O ATOM 952 CB VAL A 62 0.306 9.799 -2.000 1.00 0.00 C ATOM 953 CG1 VAL A 62 -0.858 10.639 -1.471 1.00 0.00 C ATOM 954 CG2 VAL A 62 -0.192 8.710 -2.953 1.00 0.00 C ATOM 0 H VAL A 62 2.192 8.932 -3.471 1.00 0.00 H new ATOM 0 HA VAL A 62 0.817 11.513 -3.131 1.00 0.00 H new ATOM 0 HB VAL A 62 0.779 9.308 -1.149 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.590 9.987 -0.995 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.485 11.359 -0.742 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.329 11.170 -2.298 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.938 8.097 -2.447 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.639 9.173 -3.833 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.646 8.084 -3.259 1.00 0.00 H new ATOM 964 N ARG A 63 3.156 10.395 -1.099 1.00 0.00 N ATOM 965 CA ARG A 63 4.160 10.817 -0.138 1.00 0.00 C ATOM 966 C ARG A 63 4.986 11.974 -0.707 1.00 0.00 C ATOM 967 O ARG A 63 5.592 12.736 0.044 1.00 0.00 O ATOM 968 CB ARG A 63 5.096 9.662 0.225 1.00 0.00 C ATOM 969 CG ARG A 63 6.348 10.175 0.940 1.00 0.00 C ATOM 970 CD ARG A 63 7.285 9.020 1.299 1.00 0.00 C ATOM 971 NE ARG A 63 8.507 9.543 1.949 1.00 0.00 N ATOM 972 CZ ARG A 63 9.593 9.960 1.283 1.00 0.00 C ATOM 973 NH1 ARG A 63 9.615 9.917 -0.056 1.00 0.00 N ATOM 974 NH2 ARG A 63 10.656 10.420 1.957 1.00 0.00 N ATOM 0 H ARG A 63 3.123 9.390 -1.268 1.00 0.00 H new ATOM 0 HA ARG A 63 3.640 11.145 0.762 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.572 8.952 0.865 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.383 9.124 -0.679 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.870 10.887 0.301 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.061 10.710 1.845 1.00 0.00 H new ATOM 0 HD2 ARG A 63 6.778 8.323 1.967 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.551 8.464 0.400 1.00 0.00 H new ATOM 0 HE ARG A 63 8.524 9.589 2.968 1.00 0.00 H new ATOM 0 HH11 ARG A 63 8.805 9.567 -0.568 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.441 10.234 -0.563 1.00 0.00 H new ATOM 0 HH21 ARG A 63 10.638 10.453 2.976 1.00 0.00 H new ATOM 0 HH22 ARG A 63 11.483 10.737 1.451 1.00 0.00 H new ATOM 988 N LYS A 64 4.982 12.067 -2.028 1.00 0.00 N ATOM 989 CA LYS A 64 5.723 13.117 -2.706 1.00 0.00 C ATOM 990 C LYS A 64 4.897 14.405 -2.698 1.00 0.00 C ATOM 991 O LYS A 64 5.383 15.456 -2.284 1.00 0.00 O ATOM 992 CB LYS A 64 6.139 12.662 -4.106 1.00 0.00 C ATOM 993 CG LYS A 64 7.643 12.388 -4.170 1.00 0.00 C ATOM 994 CD LYS A 64 8.364 13.473 -4.971 1.00 0.00 C ATOM 995 CE LYS A 64 9.444 12.866 -5.869 1.00 0.00 C ATOM 996 NZ LYS A 64 9.328 13.392 -7.248 1.00 0.00 N ATOM 0 H LYS A 64 4.478 11.433 -2.647 1.00 0.00 H new ATOM 0 HA LYS A 64 6.652 13.330 -2.177 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.590 11.760 -4.377 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.874 13.428 -4.835 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.052 12.344 -3.160 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.820 11.415 -4.628 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.644 14.019 -5.581 1.00 0.00 H new ATOM 0 HD3 LYS A 64 8.816 14.194 -4.289 1.00 0.00 H new ATOM 0 HE2 LYS A 64 10.431 13.096 -5.467 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.349 11.780 -5.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.068 12.970 -7.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 8.393 13.151 -7.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.441 14.426 -7.236 1.00 0.00 H new ATOM 1010 N HIS A 65 3.662 14.280 -3.162 1.00 0.00 N ATOM 1011 CA HIS A 65 2.763 15.421 -3.213 1.00 0.00 C ATOM 1012 C HIS A 65 1.981 15.518 -1.902 1.00 0.00 C ATOM 1013 O HIS A 65 0.947 16.182 -1.840 1.00 0.00 O ATOM 1014 CB HIS A 65 1.855 15.342 -4.442 1.00 0.00 C ATOM 1015 CG HIS A 65 2.599 15.312 -5.755 1.00 0.00 C ATOM 1016 ND1 HIS A 65 2.749 14.313 -6.672 1.00 0.00 N flip ATOM 1017 CD2 HIS A 65 3.295 16.402 -6.247 1.00 0.00 C flip ATOM 1018 CE1 HIS A 65 3.495 14.769 -7.671 1.00 0.00 C flip ATOM 1019 NE2 HIS A 65 3.835 16.063 -7.409 1.00 0.00 N flip ATOM 0 H HIS A 65 3.263 13.407 -3.506 1.00 0.00 H new ATOM 0 HA HIS A 65 3.340 16.339 -3.319 1.00 0.00 H new ATOM 0 HB2 HIS A 65 1.236 14.448 -4.367 1.00 0.00 H new ATOM 0 HB3 HIS A 65 1.180 16.198 -4.438 1.00 0.00 H new ATOM 0 HD2 HIS A 65 3.383 17.365 -5.766 1.00 0.00 H new ATOM 0 HE1 HIS A 65 3.785 14.207 -8.547 1.00 0.00 H new ATOM 0 HE2 HIS A 65 4.405 16.665 -8.003 1.00 0.00 H new ATOM 1061 N LYS A 69 1.549 14.066 7.926 1.00 0.00 N ATOM 1062 CA LYS A 69 2.420 13.344 8.838 1.00 0.00 C ATOM 1063 C LYS A 69 2.039 11.863 8.835 1.00 0.00 C ATOM 1064 O LYS A 69 2.789 11.026 8.333 1.00 0.00 O ATOM 1065 CB LYS A 69 2.389 13.985 10.227 1.00 0.00 C ATOM 1066 CG LYS A 69 3.438 15.093 10.344 1.00 0.00 C ATOM 1067 CD LYS A 69 3.112 16.037 11.503 1.00 0.00 C ATOM 1068 CE LYS A 69 4.381 16.693 12.049 1.00 0.00 C ATOM 1069 NZ LYS A 69 4.623 17.990 11.379 1.00 0.00 N ATOM 0 HA LYS A 69 3.456 13.407 8.506 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.398 14.396 10.420 1.00 0.00 H new ATOM 0 HB3 LYS A 69 2.572 13.225 10.986 1.00 0.00 H new ATOM 0 HG2 LYS A 69 4.423 14.652 10.496 1.00 0.00 H new ATOM 0 HG3 LYS A 69 3.482 15.657 9.412 1.00 0.00 H new ATOM 0 HD2 LYS A 69 2.417 16.806 11.166 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.613 15.483 12.299 1.00 0.00 H new ATOM 0 HE2 LYS A 69 4.285 16.845 13.124 1.00 0.00 H new ATOM 0 HE3 LYS A 69 5.234 16.032 11.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 5.488 18.422 11.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 4.735 17.837 10.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.816 18.624 11.548 1.00 0.00 H new ATOM 1083 N GLU A 70 0.875 11.583 9.401 1.00 0.00 N ATOM 1084 CA GLU A 70 0.385 10.216 9.470 1.00 0.00 C ATOM 1085 C GLU A 70 0.131 9.672 8.063 1.00 0.00 C ATOM 1086 O GLU A 70 0.448 8.520 7.773 1.00 0.00 O ATOM 1087 CB GLU A 70 -0.878 10.129 10.329 1.00 0.00 C ATOM 1088 CG GLU A 70 -0.538 9.727 11.765 1.00 0.00 C ATOM 1089 CD GLU A 70 0.752 10.403 12.234 1.00 0.00 C ATOM 1090 OE1 GLU A 70 0.641 11.528 12.767 1.00 0.00 O ATOM 1091 OE2 GLU A 70 1.819 9.780 12.048 1.00 0.00 O ATOM 0 H GLU A 70 0.256 12.279 9.816 1.00 0.00 H new ATOM 0 HA GLU A 70 1.149 9.600 9.944 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.389 11.092 10.329 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.566 9.402 9.897 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.359 10.003 12.427 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.428 8.644 11.827 1.00 0.00 H new ATOM 1098 N VAL A 71 -0.439 10.527 7.227 1.00 0.00 N ATOM 1099 CA VAL A 71 -0.740 10.146 5.857 1.00 0.00 C ATOM 1100 C VAL A 71 0.568 9.912 5.099 1.00 0.00 C ATOM 1101 O VAL A 71 0.622 9.087 4.188 1.00 0.00 O ATOM 1102 CB VAL A 71 -1.629 11.206 5.203 1.00 0.00 C ATOM 1103 CG1 VAL A 71 -1.497 11.168 3.679 1.00 0.00 C ATOM 1104 CG2 VAL A 71 -3.089 11.037 5.631 1.00 0.00 C ATOM 0 H VAL A 71 -0.700 11.482 7.471 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.301 9.212 5.834 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.290 12.184 5.544 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.139 11.931 3.239 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.461 11.359 3.399 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.797 10.186 3.312 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.699 11.803 5.152 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.444 10.051 5.332 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.165 11.137 6.714 1.00 0.00 H new ATOM 1114 N VAL A 72 1.589 10.653 5.502 1.00 0.00 N ATOM 1115 CA VAL A 72 2.893 10.536 4.872 1.00 0.00 C ATOM 1116 C VAL A 72 3.673 9.396 5.529 1.00 0.00 C ATOM 1117 O VAL A 72 4.523 8.773 4.895 1.00 0.00 O ATOM 1118 CB VAL A 72 3.628 11.877 4.936 1.00 0.00 C ATOM 1119 CG1 VAL A 72 5.144 11.674 4.902 1.00 0.00 C ATOM 1120 CG2 VAL A 72 3.173 12.806 3.808 1.00 0.00 C ATOM 0 H VAL A 72 1.540 11.337 6.257 1.00 0.00 H new ATOM 0 HA VAL A 72 2.785 10.289 3.816 1.00 0.00 H new ATOM 0 HB VAL A 72 3.376 12.352 5.884 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.642 12.643 4.949 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.449 11.068 5.755 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.423 11.167 3.978 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.711 13.752 3.876 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.382 12.339 2.845 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.102 12.990 3.898 1.00 0.00 H new ATOM 1130 N SER A 73 3.355 9.156 6.793 1.00 0.00 N ATOM 1131 CA SER A 73 4.015 8.101 7.544 1.00 0.00 C ATOM 1132 C SER A 73 3.657 6.736 6.952 1.00 0.00 C ATOM 1133 O SER A 73 4.538 5.986 6.535 1.00 0.00 O ATOM 1134 CB SER A 73 3.631 8.155 9.024 1.00 0.00 C ATOM 1135 OG SER A 73 4.776 8.225 9.870 1.00 0.00 O ATOM 0 H SER A 73 2.649 9.674 7.316 1.00 0.00 H new ATOM 0 HA SER A 73 5.092 8.251 7.471 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.995 9.022 9.202 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.045 7.272 9.279 1.00 0.00 H new ATOM 0 HG SER A 73 4.489 8.260 10.806 1.00 0.00 H new ATOM 1141 N LEU A 74 2.362 6.455 6.936 1.00 0.00 N ATOM 1142 CA LEU A 74 1.878 5.193 6.403 1.00 0.00 C ATOM 1143 C LEU A 74 2.467 4.973 5.008 1.00 0.00 C ATOM 1144 O LEU A 74 2.948 3.885 4.698 1.00 0.00 O ATOM 1145 CB LEU A 74 0.349 5.148 6.439 1.00 0.00 C ATOM 1146 CG LEU A 74 -0.270 4.011 7.253 1.00 0.00 C ATOM 1147 CD1 LEU A 74 0.418 3.872 8.613 1.00 0.00 C ATOM 1148 CD2 LEU A 74 -1.783 4.196 7.393 1.00 0.00 C ATOM 0 H LEU A 74 1.634 7.079 7.283 1.00 0.00 H new ATOM 0 HA LEU A 74 2.214 4.363 7.025 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -0.013 6.094 6.841 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.017 5.076 5.415 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.108 3.078 6.713 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.041 3.056 9.171 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.477 3.659 8.465 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.309 4.801 9.172 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.198 3.374 7.976 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.989 5.139 7.899 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.241 4.207 6.404 1.00 0.00 H new ATOM 1160 N ALA A 75 2.409 6.025 4.204 1.00 0.00 N ATOM 1161 CA ALA A 75 2.930 5.961 2.849 1.00 0.00 C ATOM 1162 C ALA A 75 4.376 5.460 2.887 1.00 0.00 C ATOM 1163 O ALA A 75 4.790 4.681 2.030 1.00 0.00 O ATOM 1164 CB ALA A 75 2.806 7.335 2.189 1.00 0.00 C ATOM 0 H ALA A 75 2.009 6.926 4.465 1.00 0.00 H new ATOM 0 HA ALA A 75 2.353 5.258 2.248 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.197 7.287 1.173 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.758 7.632 2.161 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.375 8.067 2.762 1.00 0.00 H new ATOM 1170 N LYS A 76 5.104 5.929 3.890 1.00 0.00 N ATOM 1171 CA LYS A 76 6.495 5.539 4.051 1.00 0.00 C ATOM 1172 C LYS A 76 6.566 4.049 4.391 1.00 0.00 C ATOM 1173 O LYS A 76 7.219 3.279 3.688 1.00 0.00 O ATOM 1174 CB LYS A 76 7.188 6.438 5.077 1.00 0.00 C ATOM 1175 CG LYS A 76 7.329 7.867 4.548 1.00 0.00 C ATOM 1176 CD LYS A 76 7.430 8.870 5.698 1.00 0.00 C ATOM 1177 CE LYS A 76 8.806 9.539 5.724 1.00 0.00 C ATOM 1178 NZ LYS A 76 9.678 8.890 6.728 1.00 0.00 N ATOM 0 H LYS A 76 4.757 6.575 4.599 1.00 0.00 H new ATOM 0 HA LYS A 76 7.041 5.680 3.118 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.616 6.445 6.005 1.00 0.00 H new ATOM 0 HB3 LYS A 76 8.173 6.035 5.313 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.216 7.940 3.919 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.472 8.113 3.921 1.00 0.00 H new ATOM 0 HD2 LYS A 76 6.655 9.629 5.592 1.00 0.00 H new ATOM 0 HD3 LYS A 76 7.251 8.361 6.645 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.267 9.476 4.738 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.698 10.598 5.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.608 9.356 6.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.244 8.973 7.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.796 7.885 6.488 1.00 0.00 H new ATOM 1192 N VAL A 77 5.886 3.688 5.469 1.00 0.00 N ATOM 1193 CA VAL A 77 5.864 2.304 5.911 1.00 0.00 C ATOM 1194 C VAL A 77 5.553 1.397 4.718 1.00 0.00 C ATOM 1195 O VAL A 77 6.150 0.331 4.572 1.00 0.00 O ATOM 1196 CB VAL A 77 4.870 2.138 7.062 1.00 0.00 C ATOM 1197 CG1 VAL A 77 4.579 0.659 7.327 1.00 0.00 C ATOM 1198 CG2 VAL A 77 5.376 2.832 8.328 1.00 0.00 C ATOM 0 H VAL A 77 5.346 4.330 6.049 1.00 0.00 H new ATOM 0 HA VAL A 77 6.840 2.011 6.297 1.00 0.00 H new ATOM 0 HB VAL A 77 3.935 2.616 6.768 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.870 0.569 8.150 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.155 0.205 6.431 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.505 0.147 7.589 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.651 2.699 9.131 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.330 2.397 8.625 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.508 3.896 8.132 1.00 0.00 H new ATOM 1208 N LEU A 78 4.620 1.854 3.895 1.00 0.00 N ATOM 1209 CA LEU A 78 4.224 1.097 2.720 1.00 0.00 C ATOM 1210 C LEU A 78 5.435 0.915 1.803 1.00 0.00 C ATOM 1211 O LEU A 78 5.574 -0.117 1.149 1.00 0.00 O ATOM 1212 CB LEU A 78 3.027 1.760 2.034 1.00 0.00 C ATOM 1213 CG LEU A 78 1.686 1.637 2.760 1.00 0.00 C ATOM 1214 CD1 LEU A 78 0.628 2.533 2.112 1.00 0.00 C ATOM 1215 CD2 LEU A 78 1.234 0.177 2.833 1.00 0.00 C ATOM 0 H LEU A 78 4.127 2.739 4.019 1.00 0.00 H new ATOM 0 HA LEU A 78 3.887 0.100 3.005 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.250 2.819 1.901 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.920 1.329 1.038 1.00 0.00 H new ATOM 0 HG LEU A 78 1.819 1.984 3.785 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.316 2.427 2.647 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.955 3.572 2.155 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.490 2.239 1.071 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.278 0.118 3.354 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.123 -0.220 1.824 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.979 -0.408 3.373 1.00 0.00 H new ATOM 1227 N ILE A 79 6.281 1.935 1.784 1.00 0.00 N ATOM 1228 CA ILE A 79 7.475 1.901 0.958 1.00 0.00 C ATOM 1229 C ILE A 79 8.509 0.974 1.601 1.00 0.00 C ATOM 1230 O ILE A 79 9.119 0.151 0.920 1.00 0.00 O ATOM 1231 CB ILE A 79 7.993 3.319 0.706 1.00 0.00 C ATOM 1232 CG1 ILE A 79 7.369 3.915 -0.557 1.00 0.00 C ATOM 1233 CG2 ILE A 79 9.522 3.343 0.656 1.00 0.00 C ATOM 1234 CD1 ILE A 79 5.902 4.283 -0.323 1.00 0.00 C ATOM 0 H ILE A 79 6.163 2.790 2.328 1.00 0.00 H new ATOM 0 HA ILE A 79 7.246 1.490 -0.025 1.00 0.00 H new ATOM 0 HB ILE A 79 7.688 3.948 1.543 1.00 0.00 H new ATOM 0 HG12 ILE A 79 7.926 4.802 -0.859 1.00 0.00 H new ATOM 0 HG13 ILE A 79 7.442 3.199 -1.376 1.00 0.00 H new ATOM 0 HG21 ILE A 79 9.864 4.362 0.476 1.00 0.00 H new ATOM 0 HG22 ILE A 79 9.923 2.988 1.606 1.00 0.00 H new ATOM 0 HG23 ILE A 79 9.870 2.696 -0.149 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.482 4.704 -1.236 1.00 0.00 H new ATOM 0 HD12 ILE A 79 5.343 3.390 -0.045 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.835 5.017 0.480 1.00 0.00 H new ATOM 1246 N LYS A 80 8.674 1.139 2.905 1.00 0.00 N ATOM 1247 CA LYS A 80 9.622 0.327 3.648 1.00 0.00 C ATOM 1248 C LYS A 80 9.162 -1.132 3.630 1.00 0.00 C ATOM 1249 O LYS A 80 9.842 -1.995 3.077 1.00 0.00 O ATOM 1250 CB LYS A 80 9.824 0.891 5.055 1.00 0.00 C ATOM 1251 CG LYS A 80 11.098 0.333 5.693 1.00 0.00 C ATOM 1252 CD LYS A 80 11.020 0.395 7.220 1.00 0.00 C ATOM 1253 CE LYS A 80 12.253 1.087 7.804 1.00 0.00 C ATOM 1254 NZ LYS A 80 12.363 0.813 9.254 1.00 0.00 N ATOM 0 H LYS A 80 8.167 1.823 3.466 1.00 0.00 H new ATOM 0 HA LYS A 80 10.603 0.358 3.174 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.882 1.978 5.010 1.00 0.00 H new ATOM 0 HB3 LYS A 80 8.964 0.644 5.677 1.00 0.00 H new ATOM 0 HG2 LYS A 80 11.246 -0.699 5.375 1.00 0.00 H new ATOM 0 HG3 LYS A 80 11.961 0.901 5.346 1.00 0.00 H new ATOM 0 HD2 LYS A 80 10.121 0.932 7.520 1.00 0.00 H new ATOM 0 HD3 LYS A 80 10.939 -0.614 7.625 1.00 0.00 H new ATOM 0 HE2 LYS A 80 13.150 0.737 7.293 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.188 2.162 7.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.205 1.290 9.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.515 1.168 9.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 12.447 -0.212 9.408 1.00 0.00 H new ATOM 1268 N ASN A 81 8.010 -1.363 4.243 1.00 0.00 N ATOM 1269 CA ASN A 81 7.451 -2.703 4.304 1.00 0.00 C ATOM 1270 C ASN A 81 7.625 -3.387 2.947 1.00 0.00 C ATOM 1271 O ASN A 81 8.187 -4.478 2.864 1.00 0.00 O ATOM 1272 CB ASN A 81 5.956 -2.662 4.625 1.00 0.00 C ATOM 1273 CG ASN A 81 5.717 -2.730 6.135 1.00 0.00 C ATOM 1274 OD1 ASN A 81 6.546 -3.192 6.901 1.00 0.00 O ATOM 1275 ND2 ASN A 81 4.539 -2.244 6.518 1.00 0.00 N ATOM 0 H ASN A 81 7.449 -0.645 4.702 1.00 0.00 H new ATOM 0 HA ASN A 81 7.973 -3.250 5.089 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.520 -1.747 4.225 1.00 0.00 H new ATOM 0 HB3 ASN A 81 5.452 -3.496 4.136 1.00 0.00 H new ATOM 0 HD21 ASN A 81 4.284 -2.244 7.506 1.00 0.00 H new ATOM 0 HD22 ASN A 81 3.891 -1.872 5.824 1.00 0.00 H new ATOM 1282 N TRP A 82 7.132 -2.717 1.915 1.00 0.00 N ATOM 1283 CA TRP A 82 7.226 -3.246 0.565 1.00 0.00 C ATOM 1284 C TRP A 82 8.706 -3.466 0.246 1.00 0.00 C ATOM 1285 O TRP A 82 9.072 -4.478 -0.351 1.00 0.00 O ATOM 1286 CB TRP A 82 6.529 -2.322 -0.435 1.00 0.00 C ATOM 1287 CG TRP A 82 5.003 -2.319 -0.322 1.00 0.00 C ATOM 1288 CD1 TRP A 82 4.212 -3.272 0.190 1.00 0.00 C ATOM 1289 CD2 TRP A 82 4.111 -1.270 -0.753 1.00 0.00 C ATOM 1290 NE1 TRP A 82 2.881 -2.915 0.121 1.00 0.00 N ATOM 1291 CE2 TRP A 82 2.817 -1.659 -0.471 1.00 0.00 C ATOM 1292 CE3 TRP A 82 4.388 -0.033 -1.362 1.00 0.00 C ATOM 1293 CZ2 TRP A 82 1.699 -0.869 -0.762 1.00 0.00 C ATOM 1294 CZ3 TRP A 82 3.259 0.745 -1.646 1.00 0.00 C ATOM 1295 CH2 TRP A 82 1.950 0.367 -1.369 1.00 0.00 C ATOM 0 H TRP A 82 6.666 -1.812 1.987 1.00 0.00 H new ATOM 0 HA TRP A 82 6.708 -4.202 0.488 1.00 0.00 H new ATOM 0 HB2 TRP A 82 6.896 -1.306 -0.291 1.00 0.00 H new ATOM 0 HB3 TRP A 82 6.807 -2.621 -1.445 1.00 0.00 H new ATOM 0 HD1 TRP A 82 4.571 -4.202 0.604 1.00 0.00 H new ATOM 0 HE1 TRP A 82 2.089 -3.471 0.445 1.00 0.00 H new ATOM 0 HE3 TRP A 82 5.392 0.291 -1.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 0.696 -1.196 -0.531 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 3.416 1.706 -2.113 1.00 0.00 H new ATOM 0 HH2 TRP A 82 1.131 1.024 -1.621 1.00 0.00 H new ATOM 1306 N LYS A 83 9.517 -2.502 0.656 1.00 0.00 N ATOM 1307 CA LYS A 83 10.949 -2.578 0.420 1.00 0.00 C ATOM 1308 C LYS A 83 11.422 -4.016 0.642 1.00 0.00 C ATOM 1309 O LYS A 83 11.962 -4.643 -0.268 1.00 0.00 O ATOM 1310 CB LYS A 83 11.688 -1.549 1.277 1.00 0.00 C ATOM 1311 CG LYS A 83 12.880 -0.960 0.521 1.00 0.00 C ATOM 1312 CD LYS A 83 14.163 -1.071 1.347 1.00 0.00 C ATOM 1313 CE LYS A 83 15.401 -0.895 0.464 1.00 0.00 C ATOM 1314 NZ LYS A 83 15.833 0.520 0.454 1.00 0.00 N ATOM 0 H LYS A 83 9.210 -1.664 1.150 1.00 0.00 H new ATOM 0 HA LYS A 83 11.179 -2.322 -0.614 1.00 0.00 H new ATOM 0 HB2 LYS A 83 11.004 -0.750 1.563 1.00 0.00 H new ATOM 0 HB3 LYS A 83 12.033 -2.018 2.198 1.00 0.00 H new ATOM 0 HG2 LYS A 83 13.008 -1.482 -0.427 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.685 0.086 0.285 1.00 0.00 H new ATOM 0 HD2 LYS A 83 14.161 -0.314 2.132 1.00 0.00 H new ATOM 0 HD3 LYS A 83 14.199 -2.042 1.841 1.00 0.00 H new ATOM 0 HE2 LYS A 83 16.210 -1.526 0.832 1.00 0.00 H new ATOM 0 HE3 LYS A 83 15.180 -1.221 -0.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 16.674 0.622 -0.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 15.065 1.115 0.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 16.064 0.819 1.423 1.00 0.00 H new ATOM 1328 N ARG A 84 11.202 -4.497 1.857 1.00 0.00 N ATOM 1329 CA ARG A 84 11.599 -5.850 2.209 1.00 0.00 C ATOM 1330 C ARG A 84 11.211 -6.824 1.096 1.00 0.00 C ATOM 1331 O ARG A 84 12.049 -7.579 0.606 1.00 0.00 O ATOM 1332 CB ARG A 84 10.942 -6.293 3.518 1.00 0.00 C ATOM 1333 CG ARG A 84 11.558 -5.566 4.715 1.00 0.00 C ATOM 1334 CD ARG A 84 10.548 -4.614 5.358 1.00 0.00 C ATOM 1335 NE ARG A 84 9.851 -5.293 6.473 1.00 0.00 N ATOM 1336 CZ ARG A 84 10.444 -5.658 7.618 1.00 0.00 C ATOM 1337 NH1 ARG A 84 11.748 -5.412 7.806 1.00 0.00 N ATOM 1338 NH2 ARG A 84 9.733 -6.270 8.575 1.00 0.00 N ATOM 0 H ARG A 84 10.754 -3.974 2.610 1.00 0.00 H new ATOM 0 HA ARG A 84 12.681 -5.855 2.339 1.00 0.00 H new ATOM 0 HB2 ARG A 84 9.871 -6.092 3.478 1.00 0.00 H new ATOM 0 HB3 ARG A 84 11.060 -7.369 3.642 1.00 0.00 H new ATOM 0 HG2 ARG A 84 11.897 -6.294 5.452 1.00 0.00 H new ATOM 0 HG3 ARG A 84 12.436 -5.006 4.393 1.00 0.00 H new ATOM 0 HD2 ARG A 84 11.058 -3.724 5.726 1.00 0.00 H new ATOM 0 HD3 ARG A 84 9.824 -4.282 4.614 1.00 0.00 H new ATOM 0 HE ARG A 84 8.857 -5.496 6.363 1.00 0.00 H new ATOM 0 HH11 ARG A 84 12.289 -4.947 7.077 1.00 0.00 H new ATOM 0 HH12 ARG A 84 12.199 -5.690 8.678 1.00 0.00 H new ATOM 0 HH21 ARG A 84 8.741 -6.458 8.432 1.00 0.00 H new ATOM 0 HH22 ARG A 84 10.184 -6.548 9.447 1.00 0.00 H new