USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=12 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+ 180:sc= 0 (180deg=0) 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 -121:sc= -5.89! (180deg=-8.91!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 38 LYS NZ :NH3+ -163:sc=-0.00855 (180deg=-0.252) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -0.0837 X(o=-0.084,f=-0.08) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot -122:sc= 0.309 USER MOD Single : A 44 GLN : amide:sc= -0.0503 K(o=-0.05,f=-1.6!) USER MOD Single : A 45 MET CE :methyl -110:sc= -12.1! (180deg=-16.4!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot 171:sc= -1.17 USER MOD Single : A 53 THR OG1 : rot -97:sc= 0.946 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS :FLIP no HD1:sc= -6.43! C(o=-7!,f=-6.4!) 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= -0.625 K(o=-0.63,f=-2.4!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 90 N LEU A 10 -7.856 -9.273 -3.663 1.00 0.00 N ATOM 91 CA LEU A 10 -6.988 -8.245 -3.115 1.00 0.00 C ATOM 92 C LEU A 10 -6.523 -7.321 -4.243 1.00 0.00 C ATOM 93 O LEU A 10 -6.615 -6.100 -4.127 1.00 0.00 O ATOM 94 CB LEU A 10 -5.839 -8.877 -2.326 1.00 0.00 C ATOM 95 CG LEU A 10 -4.887 -7.903 -1.630 1.00 0.00 C ATOM 96 CD1 LEU A 10 -5.418 -7.508 -0.250 1.00 0.00 C ATOM 97 CD2 LEU A 10 -3.471 -8.478 -1.556 1.00 0.00 C ATOM 0 HA LEU A 10 -7.533 -7.628 -2.401 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.264 -9.540 -1.572 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.257 -9.499 -3.006 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.834 -6.993 -2.227 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.722 -6.815 0.223 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.391 -7.028 -0.358 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.520 -8.399 0.369 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.815 -7.765 -1.057 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.487 -9.412 -0.995 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.102 -8.667 -2.564 1.00 0.00 H new ATOM 109 N GLU A 11 -6.035 -7.940 -5.308 1.00 0.00 N ATOM 110 CA GLU A 11 -5.557 -7.189 -6.456 1.00 0.00 C ATOM 111 C GLU A 11 -6.572 -6.114 -6.848 1.00 0.00 C ATOM 112 O GLU A 11 -6.284 -4.921 -6.759 1.00 0.00 O ATOM 113 CB GLU A 11 -5.260 -8.118 -7.634 1.00 0.00 C ATOM 114 CG GLU A 11 -4.302 -7.456 -8.627 1.00 0.00 C ATOM 115 CD GLU A 11 -3.687 -8.493 -9.570 1.00 0.00 C ATOM 116 OE1 GLU A 11 -4.461 -9.062 -10.370 1.00 0.00 O ATOM 117 OE2 GLU A 11 -2.457 -8.693 -9.469 1.00 0.00 O ATOM 0 H GLU A 11 -5.960 -8.953 -5.400 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.625 -6.697 -6.180 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.824 -9.048 -7.268 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.190 -8.379 -8.139 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.836 -6.704 -9.207 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.511 -6.938 -8.085 1.00 0.00 H new ATOM 124 N GLU A 12 -7.739 -6.574 -7.273 1.00 0.00 N ATOM 125 CA GLU A 12 -8.799 -5.667 -7.679 1.00 0.00 C ATOM 126 C GLU A 12 -8.978 -4.560 -6.638 1.00 0.00 C ATOM 127 O GLU A 12 -9.319 -3.429 -6.981 1.00 0.00 O ATOM 128 CB GLU A 12 -10.110 -6.422 -7.907 1.00 0.00 C ATOM 129 CG GLU A 12 -10.495 -6.417 -9.388 1.00 0.00 C ATOM 130 CD GLU A 12 -11.572 -5.368 -9.671 1.00 0.00 C ATOM 131 OE1 GLU A 12 -12.473 -5.234 -8.816 1.00 0.00 O ATOM 132 OE2 GLU A 12 -11.468 -4.723 -10.737 1.00 0.00 O ATOM 0 H GLU A 12 -7.974 -7.564 -7.345 1.00 0.00 H new ATOM 0 HA GLU A 12 -8.514 -5.207 -8.625 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -10.008 -7.449 -7.558 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -10.905 -5.963 -7.319 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -9.614 -6.212 -9.996 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.858 -7.403 -9.676 1.00 0.00 H new ATOM 139 N GLU A 13 -8.739 -4.924 -5.387 1.00 0.00 N ATOM 140 CA GLU A 13 -8.869 -3.976 -4.293 1.00 0.00 C ATOM 141 C GLU A 13 -7.683 -3.009 -4.285 1.00 0.00 C ATOM 142 O GLU A 13 -7.865 -1.800 -4.150 1.00 0.00 O ATOM 143 CB GLU A 13 -8.995 -4.700 -2.951 1.00 0.00 C ATOM 144 CG GLU A 13 -8.371 -3.877 -1.823 1.00 0.00 C ATOM 145 CD GLU A 13 -8.778 -4.425 -0.454 1.00 0.00 C ATOM 146 OE1 GLU A 13 -10.001 -4.568 -0.241 1.00 0.00 O ATOM 147 OE2 GLU A 13 -7.856 -4.690 0.348 1.00 0.00 O ATOM 0 H GLU A 13 -8.456 -5.863 -5.106 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.782 -3.400 -4.444 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -10.046 -4.886 -2.731 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.505 -5.672 -3.011 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.285 -3.891 -1.916 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.685 -2.837 -1.910 1.00 0.00 H new ATOM 154 N LEU A 14 -6.496 -3.578 -4.432 1.00 0.00 N ATOM 155 CA LEU A 14 -5.281 -2.781 -4.443 1.00 0.00 C ATOM 156 C LEU A 14 -5.363 -1.749 -5.570 1.00 0.00 C ATOM 157 O LEU A 14 -5.151 -0.559 -5.343 1.00 0.00 O ATOM 158 CB LEU A 14 -4.048 -3.684 -4.525 1.00 0.00 C ATOM 159 CG LEU A 14 -3.711 -4.476 -3.260 1.00 0.00 C ATOM 160 CD1 LEU A 14 -2.722 -5.602 -3.565 1.00 0.00 C ATOM 161 CD2 LEU A 14 -3.202 -3.549 -2.153 1.00 0.00 C ATOM 0 H LEU A 14 -6.349 -4.581 -4.544 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.181 -2.227 -3.509 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.193 -4.389 -5.343 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.187 -3.067 -4.784 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.626 -4.942 -2.895 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.500 -6.149 -2.649 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.159 -6.282 -4.296 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.802 -5.179 -3.967 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.970 -4.136 -1.265 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.303 -3.035 -2.494 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.970 -2.815 -1.911 1.00 0.00 H new ATOM 173 N LEU A 15 -5.672 -2.243 -6.760 1.00 0.00 N ATOM 174 CA LEU A 15 -5.785 -1.379 -7.922 1.00 0.00 C ATOM 175 C LEU A 15 -6.773 -0.250 -7.619 1.00 0.00 C ATOM 176 O LEU A 15 -6.504 0.912 -7.919 1.00 0.00 O ATOM 177 CB LEU A 15 -6.147 -2.196 -9.164 1.00 0.00 C ATOM 178 CG LEU A 15 -5.077 -3.171 -9.661 1.00 0.00 C ATOM 179 CD1 LEU A 15 -5.676 -4.553 -9.927 1.00 0.00 C ATOM 180 CD2 LEU A 15 -4.355 -2.612 -10.889 1.00 0.00 C ATOM 0 H LEU A 15 -5.848 -3.231 -6.944 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.825 -0.912 -8.144 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.054 -2.761 -8.951 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.384 -1.505 -9.973 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.331 -3.290 -8.875 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.895 -5.227 -10.279 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.106 -4.946 -9.006 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.454 -4.472 -10.686 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.600 -3.324 -11.222 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.075 -2.445 -11.690 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.875 -1.668 -10.631 1.00 0.00 H new ATOM 192 N ARG A 16 -7.895 -0.632 -7.028 1.00 0.00 N ATOM 193 CA ARG A 16 -8.924 0.333 -6.681 1.00 0.00 C ATOM 194 C ARG A 16 -8.327 1.470 -5.850 1.00 0.00 C ATOM 195 O ARG A 16 -8.569 2.643 -6.131 1.00 0.00 O ATOM 196 CB ARG A 16 -10.055 -0.328 -5.891 1.00 0.00 C ATOM 197 CG ARG A 16 -11.133 -0.874 -6.829 1.00 0.00 C ATOM 198 CD ARG A 16 -12.517 -0.795 -6.180 1.00 0.00 C ATOM 199 NE ARG A 16 -13.406 0.069 -6.987 1.00 0.00 N ATOM 200 CZ ARG A 16 -14.721 0.206 -6.769 1.00 0.00 C ATOM 201 NH1 ARG A 16 -15.308 -0.465 -5.768 1.00 0.00 N ATOM 202 NH2 ARG A 16 -15.450 1.012 -7.553 1.00 0.00 N ATOM 0 H ARG A 16 -8.114 -1.597 -6.781 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.331 0.733 -7.610 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -9.653 -1.138 -5.283 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.497 0.396 -5.206 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -11.131 -0.307 -7.760 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -10.906 -1.909 -7.086 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -12.946 -1.794 -6.096 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -12.431 -0.398 -5.168 1.00 0.00 H new ATOM 0 HE ARG A 16 -12.992 0.593 -7.758 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -14.754 -1.080 -5.172 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -16.309 -0.361 -5.602 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -15.004 1.521 -8.316 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -16.451 1.116 -7.387 1.00 0.00 H new ATOM 216 N ILE A 17 -7.558 1.083 -4.843 1.00 0.00 N ATOM 217 CA ILE A 17 -6.924 2.055 -3.968 1.00 0.00 C ATOM 218 C ILE A 17 -5.999 2.950 -4.795 1.00 0.00 C ATOM 219 O ILE A 17 -6.277 4.134 -4.979 1.00 0.00 O ATOM 220 CB ILE A 17 -6.222 1.352 -2.805 1.00 0.00 C ATOM 221 CG1 ILE A 17 -7.216 1.002 -1.696 1.00 0.00 C ATOM 222 CG2 ILE A 17 -5.053 2.190 -2.284 1.00 0.00 C ATOM 223 CD1 ILE A 17 -6.798 -0.279 -0.970 1.00 0.00 C ATOM 0 H ILE A 17 -7.359 0.109 -4.613 1.00 0.00 H new ATOM 0 HA ILE A 17 -7.672 2.703 -3.512 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.807 0.414 -3.173 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -7.276 1.825 -0.984 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.211 0.875 -2.122 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.571 1.668 -1.458 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.331 2.345 -3.086 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.423 3.155 -1.937 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -7.521 -0.506 -0.187 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.762 -1.105 -1.681 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.813 -0.140 -0.525 1.00 0.00 H new ATOM 235 N ALA A 18 -4.917 2.351 -5.270 1.00 0.00 N ATOM 236 CA ALA A 18 -3.949 3.079 -6.072 1.00 0.00 C ATOM 237 C ALA A 18 -4.687 4.036 -7.010 1.00 0.00 C ATOM 238 O ALA A 18 -4.528 5.252 -6.913 1.00 0.00 O ATOM 239 CB ALA A 18 -3.064 2.088 -6.829 1.00 0.00 C ATOM 0 H ALA A 18 -4.689 1.369 -5.115 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.297 3.678 -5.436 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.338 2.635 -7.431 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.539 1.451 -6.117 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.683 1.471 -7.480 1.00 0.00 H new ATOM 245 N LYS A 19 -5.479 3.451 -7.897 1.00 0.00 N ATOM 246 CA LYS A 19 -6.243 4.237 -8.851 1.00 0.00 C ATOM 247 C LYS A 19 -6.838 5.455 -8.142 1.00 0.00 C ATOM 248 O LYS A 19 -6.794 6.566 -8.667 1.00 0.00 O ATOM 249 CB LYS A 19 -7.284 3.363 -9.553 1.00 0.00 C ATOM 250 CG LYS A 19 -6.725 2.779 -10.852 1.00 0.00 C ATOM 251 CD LYS A 19 -7.499 3.300 -12.065 1.00 0.00 C ATOM 252 CE LYS A 19 -6.544 3.760 -13.169 1.00 0.00 C ATOM 253 NZ LYS A 19 -7.201 3.672 -14.492 1.00 0.00 N ATOM 0 H LYS A 19 -5.608 2.442 -7.975 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.594 4.615 -9.641 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.592 2.555 -8.890 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.174 3.954 -9.769 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.671 3.041 -10.949 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.782 1.691 -10.820 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.153 2.516 -12.448 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.139 4.129 -11.764 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.228 4.786 -12.981 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.645 3.143 -13.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.539 3.988 -15.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.481 2.687 -14.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.045 4.279 -14.501 1.00 0.00 H new ATOM 267 N LYS A 20 -7.383 5.204 -6.961 1.00 0.00 N ATOM 268 CA LYS A 20 -7.987 6.266 -6.175 1.00 0.00 C ATOM 269 C LYS A 20 -6.922 7.310 -5.832 1.00 0.00 C ATOM 270 O LYS A 20 -7.144 8.508 -6.004 1.00 0.00 O ATOM 271 CB LYS A 20 -8.698 5.688 -4.949 1.00 0.00 C ATOM 272 CG LYS A 20 -10.217 5.789 -5.099 1.00 0.00 C ATOM 273 CD LYS A 20 -10.894 5.925 -3.733 1.00 0.00 C ATOM 274 CE LYS A 20 -10.702 7.332 -3.164 1.00 0.00 C ATOM 275 NZ LYS A 20 -11.940 8.128 -3.320 1.00 0.00 N ATOM 0 H LYS A 20 -7.419 4.281 -6.529 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.759 6.775 -6.752 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.411 4.645 -4.815 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.381 6.223 -4.054 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.468 6.648 -5.721 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.595 4.904 -5.610 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.958 5.709 -3.827 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.480 5.190 -3.043 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.433 7.271 -2.110 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.877 7.828 -3.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.792 9.080 -2.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.180 8.202 -4.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.719 7.662 -2.812 1.00 0.00 H new ATOM 289 N LEU A 21 -5.789 6.818 -5.354 1.00 0.00 N ATOM 290 CA LEU A 21 -4.689 7.693 -4.986 1.00 0.00 C ATOM 291 C LEU A 21 -4.184 8.422 -6.232 1.00 0.00 C ATOM 292 O LEU A 21 -3.968 9.632 -6.203 1.00 0.00 O ATOM 293 CB LEU A 21 -3.602 6.907 -4.250 1.00 0.00 C ATOM 294 CG LEU A 21 -4.065 6.094 -3.039 1.00 0.00 C ATOM 295 CD1 LEU A 21 -3.232 4.820 -2.883 1.00 0.00 C ATOM 296 CD2 LEU A 21 -4.051 6.947 -1.769 1.00 0.00 C ATOM 0 H LEU A 21 -5.609 5.824 -5.213 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.028 8.456 -4.285 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.129 6.228 -4.959 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.835 7.608 -3.920 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.097 5.785 -3.209 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.582 4.261 -2.015 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.336 4.205 -3.777 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.184 5.085 -2.746 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.384 6.346 -0.923 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.039 7.306 -1.583 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.720 7.798 -1.895 1.00 0.00 H new ATOM 308 N GLU A 22 -4.010 7.654 -7.298 1.00 0.00 N ATOM 309 CA GLU A 22 -3.534 8.212 -8.552 1.00 0.00 C ATOM 310 C GLU A 22 -4.296 9.497 -8.885 1.00 0.00 C ATOM 311 O GLU A 22 -3.701 10.478 -9.330 1.00 0.00 O ATOM 312 CB GLU A 22 -3.657 7.193 -9.687 1.00 0.00 C ATOM 313 CG GLU A 22 -2.816 5.948 -9.399 1.00 0.00 C ATOM 314 CD GLU A 22 -3.253 4.776 -10.281 1.00 0.00 C ATOM 315 OE1 GLU A 22 -4.017 5.037 -11.235 1.00 0.00 O ATOM 316 OE2 GLU A 22 -2.812 3.645 -9.981 1.00 0.00 O ATOM 0 H GLU A 22 -4.190 6.650 -7.319 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.478 8.457 -8.440 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.702 6.909 -9.814 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.333 7.646 -10.624 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.763 6.167 -9.575 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.914 5.674 -8.349 1.00 0.00 H new ATOM 323 N LYS A 23 -5.600 9.450 -8.656 1.00 0.00 N ATOM 324 CA LYS A 23 -6.448 10.599 -8.925 1.00 0.00 C ATOM 325 C LYS A 23 -6.104 11.723 -7.946 1.00 0.00 C ATOM 326 O LYS A 23 -5.780 12.835 -8.361 1.00 0.00 O ATOM 327 CB LYS A 23 -7.923 10.192 -8.900 1.00 0.00 C ATOM 328 CG LYS A 23 -8.832 11.420 -8.996 1.00 0.00 C ATOM 329 CD LYS A 23 -10.158 11.178 -8.274 1.00 0.00 C ATOM 330 CE LYS A 23 -10.284 12.078 -7.043 1.00 0.00 C ATOM 331 NZ LYS A 23 -11.564 11.824 -6.344 1.00 0.00 N ATOM 0 H LYS A 23 -6.090 8.635 -8.287 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.263 10.983 -9.928 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.131 9.515 -9.729 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.138 9.647 -7.981 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.329 12.284 -8.561 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.022 11.656 -10.043 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.987 11.369 -8.955 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.227 10.133 -7.973 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.450 11.896 -6.365 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.228 13.124 -7.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.633 12.443 -5.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.356 12.020 -6.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.603 10.830 -6.041 1.00 0.00 H new ATOM 345 N MET A 24 -6.185 11.394 -6.665 1.00 0.00 N ATOM 346 CA MET A 24 -5.886 12.363 -5.624 1.00 0.00 C ATOM 347 C MET A 24 -4.548 13.057 -5.889 1.00 0.00 C ATOM 348 O MET A 24 -4.448 14.279 -5.786 1.00 0.00 O ATOM 349 CB MET A 24 -5.834 11.655 -4.268 1.00 0.00 C ATOM 350 CG MET A 24 -7.230 11.207 -3.830 1.00 0.00 C ATOM 351 SD MET A 24 -7.206 9.478 -3.387 1.00 0.00 S ATOM 352 CE MET A 24 -6.894 9.611 -1.635 1.00 0.00 C ATOM 0 H MET A 24 -6.453 10.471 -6.324 1.00 0.00 H new ATOM 0 HA MET A 24 -6.672 13.119 -5.620 1.00 0.00 H new ATOM 0 HB2 MET A 24 -5.173 10.790 -4.330 1.00 0.00 H new ATOM 0 HB3 MET A 24 -5.412 12.325 -3.520 1.00 0.00 H new ATOM 0 HG2 MET A 24 -7.563 11.804 -2.981 1.00 0.00 H new ATOM 0 HG3 MET A 24 -7.944 11.374 -4.636 1.00 0.00 H new ATOM 0 HE1 MET A 24 -5.972 9.084 -1.388 1.00 0.00 H new ATOM 0 HE2 MET A 24 -6.795 10.662 -1.362 1.00 0.00 H new ATOM 0 HE3 MET A 24 -7.724 9.169 -1.083 1.00 0.00 H new ATOM 362 N VAL A 25 -3.554 12.248 -6.224 1.00 0.00 N ATOM 363 CA VAL A 25 -2.227 12.769 -6.504 1.00 0.00 C ATOM 364 C VAL A 25 -2.305 13.742 -7.682 1.00 0.00 C ATOM 365 O VAL A 25 -1.805 14.863 -7.599 1.00 0.00 O ATOM 366 CB VAL A 25 -1.252 11.615 -6.745 1.00 0.00 C ATOM 367 CG1 VAL A 25 0.192 12.119 -6.796 1.00 0.00 C ATOM 368 CG2 VAL A 25 -1.416 10.527 -5.682 1.00 0.00 C ATOM 0 H VAL A 25 -3.641 11.235 -6.308 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.846 13.325 -5.647 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.488 11.174 -7.714 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.865 11.279 -6.968 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.297 12.840 -7.606 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.444 12.597 -5.850 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.711 9.719 -5.877 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.221 10.949 -4.696 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.433 10.137 -5.714 1.00 0.00 H new ATOM 378 N SER A 26 -2.935 13.279 -8.751 1.00 0.00 N ATOM 379 CA SER A 26 -3.084 14.094 -9.944 1.00 0.00 C ATOM 380 C SER A 26 -3.725 15.436 -9.584 1.00 0.00 C ATOM 381 O SER A 26 -3.155 16.492 -9.854 1.00 0.00 O ATOM 382 CB SER A 26 -3.922 13.374 -11.003 1.00 0.00 C ATOM 383 OG SER A 26 -4.077 14.156 -12.184 1.00 0.00 O ATOM 0 H SER A 26 -3.349 12.349 -8.816 1.00 0.00 H new ATOM 0 HA SER A 26 -2.093 14.271 -10.362 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.449 12.425 -11.256 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.904 13.141 -10.591 1.00 0.00 H new ATOM 0 HG SER A 26 -4.616 13.661 -12.836 1.00 0.00 H new ATOM 389 N ARG A 27 -4.901 15.351 -8.980 1.00 0.00 N ATOM 390 CA ARG A 27 -5.625 16.546 -8.580 1.00 0.00 C ATOM 391 C ARG A 27 -4.908 17.237 -7.418 1.00 0.00 C ATOM 392 O ARG A 27 -5.267 18.350 -7.038 1.00 0.00 O ATOM 393 CB ARG A 27 -7.056 16.207 -8.158 1.00 0.00 C ATOM 394 CG ARG A 27 -7.617 15.056 -8.996 1.00 0.00 C ATOM 395 CD ARG A 27 -9.041 15.361 -9.464 1.00 0.00 C ATOM 396 NE ARG A 27 -9.828 15.934 -8.350 1.00 0.00 N ATOM 397 CZ ARG A 27 -11.140 16.199 -8.415 1.00 0.00 C ATOM 398 NH1 ARG A 27 -11.820 15.945 -9.542 1.00 0.00 N ATOM 399 NH2 ARG A 27 -11.773 16.719 -7.354 1.00 0.00 N ATOM 0 H ARG A 27 -5.371 14.473 -8.758 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.660 17.216 -9.439 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -7.073 15.935 -7.103 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -7.690 17.086 -8.271 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.975 14.885 -9.860 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -7.612 14.138 -8.408 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -9.016 16.060 -10.300 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.517 14.449 -9.825 1.00 0.00 H new ATOM 0 HE ARG A 27 -9.341 16.140 -7.478 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -11.339 15.550 -10.350 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -12.819 16.147 -9.592 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -11.256 16.913 -6.496 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -12.772 16.920 -7.404 1.00 0.00 H new ATOM 413 N LYS A 28 -3.909 16.548 -6.887 1.00 0.00 N ATOM 414 CA LYS A 28 -3.139 17.081 -5.776 1.00 0.00 C ATOM 415 C LYS A 28 -4.095 17.556 -4.680 1.00 0.00 C ATOM 416 O LYS A 28 -4.234 18.756 -4.450 1.00 0.00 O ATOM 417 CB LYS A 28 -2.176 18.165 -6.264 1.00 0.00 C ATOM 418 CG LYS A 28 -0.782 17.972 -5.662 1.00 0.00 C ATOM 419 CD LYS A 28 -0.527 18.977 -4.538 1.00 0.00 C ATOM 420 CE LYS A 28 0.762 18.641 -3.784 1.00 0.00 C ATOM 421 NZ LYS A 28 1.271 19.834 -3.071 1.00 0.00 N ATOM 0 H LYS A 28 -3.615 15.625 -7.206 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.513 16.304 -5.338 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.113 18.138 -7.352 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.561 19.148 -5.992 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.686 16.957 -5.276 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.027 18.090 -6.439 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.458 19.983 -4.953 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.369 18.975 -3.845 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.575 17.837 -3.072 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.516 18.279 -4.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.146 19.589 -2.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.468 20.590 -3.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.557 20.162 -2.390 1.00 0.00 H new ATOM 435 N LYS A 29 -4.729 16.590 -4.033 1.00 0.00 N ATOM 436 CA LYS A 29 -5.668 16.894 -2.967 1.00 0.00 C ATOM 437 C LYS A 29 -6.106 15.593 -2.292 1.00 0.00 C ATOM 438 O LYS A 29 -7.290 15.261 -2.285 1.00 0.00 O ATOM 439 CB LYS A 29 -6.832 17.732 -3.500 1.00 0.00 C ATOM 440 CG LYS A 29 -7.725 18.220 -2.358 1.00 0.00 C ATOM 441 CD LYS A 29 -7.582 19.730 -2.158 1.00 0.00 C ATOM 442 CE LYS A 29 -8.736 20.284 -1.320 1.00 0.00 C ATOM 443 NZ LYS A 29 -8.541 21.727 -1.057 1.00 0.00 N ATOM 0 H LYS A 29 -4.611 15.595 -4.226 1.00 0.00 H new ATOM 0 HA LYS A 29 -5.190 17.505 -2.202 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.445 18.587 -4.055 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.421 17.139 -4.199 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.765 17.975 -2.574 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.460 17.701 -1.437 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.634 19.947 -1.666 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.560 20.228 -3.127 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.680 20.128 -1.842 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.801 19.742 -0.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.333 22.086 -0.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.650 21.868 -0.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.502 22.242 -1.960 1.00 0.00 H new ATOM 457 N THR A 30 -5.127 14.891 -1.741 1.00 0.00 N ATOM 458 CA THR A 30 -5.396 13.633 -1.065 1.00 0.00 C ATOM 459 C THR A 30 -6.217 13.874 0.204 1.00 0.00 C ATOM 460 O THR A 30 -5.675 13.872 1.308 1.00 0.00 O ATOM 461 CB THR A 30 -4.057 12.942 -0.799 1.00 0.00 C ATOM 462 OG1 THR A 30 -3.188 14.005 -0.416 1.00 0.00 O ATOM 463 CG2 THR A 30 -3.423 12.385 -2.075 1.00 0.00 C ATOM 0 H THR A 30 -4.146 15.169 -1.749 1.00 0.00 H new ATOM 0 HA THR A 30 -6.001 12.973 -1.686 1.00 0.00 H new ATOM 0 HB THR A 30 -4.201 12.134 -0.082 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.297 13.646 -0.223 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.475 11.905 -1.831 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.094 11.654 -2.526 1.00 0.00 H new ATOM 0 HG23 THR A 30 -3.247 13.198 -2.779 1.00 0.00 H new ATOM 471 N GLU A 31 -7.511 14.077 0.003 1.00 0.00 N ATOM 472 CA GLU A 31 -8.412 14.319 1.117 1.00 0.00 C ATOM 473 C GLU A 31 -8.972 12.997 1.644 1.00 0.00 C ATOM 474 O GLU A 31 -10.154 12.907 1.974 1.00 0.00 O ATOM 475 CB GLU A 31 -9.540 15.271 0.713 1.00 0.00 C ATOM 476 CG GLU A 31 -9.630 16.456 1.677 1.00 0.00 C ATOM 477 CD GLU A 31 -10.987 17.152 1.564 1.00 0.00 C ATOM 478 OE1 GLU A 31 -11.363 17.481 0.418 1.00 0.00 O ATOM 479 OE2 GLU A 31 -11.618 17.341 2.626 1.00 0.00 O ATOM 0 H GLU A 31 -7.957 14.079 -0.914 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.848 14.796 1.918 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.368 15.634 -0.300 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.488 14.733 0.703 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.479 16.110 2.699 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.833 17.167 1.460 1.00 0.00 H new ATOM 486 N GLY A 32 -8.098 12.003 1.706 1.00 0.00 N ATOM 487 CA GLY A 32 -8.491 10.690 2.187 1.00 0.00 C ATOM 488 C GLY A 32 -7.538 9.609 1.671 1.00 0.00 C ATOM 489 O GLY A 32 -7.978 8.595 1.133 1.00 0.00 O ATOM 0 H GLY A 32 -7.119 12.081 1.431 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.497 10.685 3.277 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.508 10.469 1.862 1.00 0.00 H new ATOM 493 N ALA A 33 -6.251 9.864 1.854 1.00 0.00 N ATOM 494 CA ALA A 33 -5.233 8.926 1.414 1.00 0.00 C ATOM 495 C ALA A 33 -4.985 7.895 2.517 1.00 0.00 C ATOM 496 O ALA A 33 -4.804 6.711 2.235 1.00 0.00 O ATOM 497 CB ALA A 33 -3.963 9.691 1.035 1.00 0.00 C ATOM 0 H ALA A 33 -5.890 10.707 2.301 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.566 8.387 0.527 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.199 8.987 0.705 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.186 10.389 0.228 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -3.598 10.242 1.902 1.00 0.00 H new ATOM 503 N LEU A 34 -4.984 8.382 3.749 1.00 0.00 N ATOM 504 CA LEU A 34 -4.761 7.517 4.895 1.00 0.00 C ATOM 505 C LEU A 34 -5.578 6.234 4.727 1.00 0.00 C ATOM 506 O LEU A 34 -5.020 5.165 4.489 1.00 0.00 O ATOM 507 CB LEU A 34 -5.053 8.266 6.197 1.00 0.00 C ATOM 508 CG LEU A 34 -3.845 8.554 7.091 1.00 0.00 C ATOM 509 CD1 LEU A 34 -4.289 8.993 8.487 1.00 0.00 C ATOM 510 CD2 LEU A 34 -2.902 7.351 7.141 1.00 0.00 C ATOM 0 H LEU A 34 -5.134 9.364 3.979 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.713 7.223 4.952 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.530 9.214 5.948 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.775 7.687 6.772 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.287 9.383 6.656 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.411 9.191 9.102 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.890 9.899 8.409 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.882 8.202 8.946 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.052 7.582 7.783 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.434 6.488 7.540 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.547 7.125 6.136 1.00 0.00 H new ATOM 522 N ASP A 35 -6.888 6.384 4.858 1.00 0.00 N ATOM 523 CA ASP A 35 -7.788 5.251 4.724 1.00 0.00 C ATOM 524 C ASP A 35 -7.226 4.279 3.684 1.00 0.00 C ATOM 525 O ASP A 35 -7.091 3.087 3.953 1.00 0.00 O ATOM 526 CB ASP A 35 -9.172 5.700 4.252 1.00 0.00 C ATOM 527 CG ASP A 35 -9.869 6.713 5.163 1.00 0.00 C ATOM 528 OD1 ASP A 35 -9.137 7.509 5.790 1.00 0.00 O ATOM 529 OD2 ASP A 35 -11.117 6.669 5.211 1.00 0.00 O ATOM 0 H ASP A 35 -7.348 7.273 5.056 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.877 4.774 5.700 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -9.077 6.134 3.257 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.810 4.821 4.156 1.00 0.00 H new ATOM 534 N LEU A 36 -6.914 4.826 2.518 1.00 0.00 N ATOM 535 CA LEU A 36 -6.370 4.023 1.437 1.00 0.00 C ATOM 536 C LEU A 36 -5.069 3.365 1.901 1.00 0.00 C ATOM 537 O LEU A 36 -4.923 2.146 1.824 1.00 0.00 O ATOM 538 CB LEU A 36 -6.215 4.865 0.169 1.00 0.00 C ATOM 539 CG LEU A 36 -7.515 5.330 -0.490 1.00 0.00 C ATOM 540 CD1 LEU A 36 -7.275 6.557 -1.372 1.00 0.00 C ATOM 541 CD2 LEU A 36 -8.176 4.187 -1.265 1.00 0.00 C ATOM 0 H LEU A 36 -7.028 5.816 2.299 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.059 3.220 1.176 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.619 5.745 0.411 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.648 4.287 -0.560 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.208 5.630 0.296 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -8.215 6.867 -1.828 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.882 7.371 -0.763 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.557 6.308 -2.154 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -9.098 4.544 -1.724 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.497 3.834 -2.041 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.404 3.368 -0.582 1.00 0.00 H new ATOM 553 N LEU A 37 -4.156 4.201 2.372 1.00 0.00 N ATOM 554 CA LEU A 37 -2.871 3.716 2.848 1.00 0.00 C ATOM 555 C LEU A 37 -3.099 2.668 3.939 1.00 0.00 C ATOM 556 O LEU A 37 -2.584 1.555 3.852 1.00 0.00 O ATOM 557 CB LEU A 37 -1.989 4.885 3.293 1.00 0.00 C ATOM 558 CG LEU A 37 -1.771 5.992 2.259 1.00 0.00 C ATOM 559 CD1 LEU A 37 -1.527 7.339 2.942 1.00 0.00 C ATOM 560 CD2 LEU A 37 -0.642 5.626 1.294 1.00 0.00 C ATOM 0 H LEU A 37 -4.280 5.211 2.434 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.327 3.224 2.042 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.432 5.330 4.184 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.016 4.490 3.584 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.681 6.091 1.667 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.375 8.108 2.185 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.391 7.598 3.555 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.641 7.271 3.574 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.508 6.429 0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.283 5.483 1.853 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.895 4.704 0.771 1.00 0.00 H new ATOM 572 N LYS A 38 -3.872 3.062 4.941 1.00 0.00 N ATOM 573 CA LYS A 38 -4.175 2.170 6.047 1.00 0.00 C ATOM 574 C LYS A 38 -4.517 0.783 5.500 1.00 0.00 C ATOM 575 O LYS A 38 -3.868 -0.203 5.847 1.00 0.00 O ATOM 576 CB LYS A 38 -5.268 2.768 6.934 1.00 0.00 C ATOM 577 CG LYS A 38 -4.819 4.102 7.535 1.00 0.00 C ATOM 578 CD LYS A 38 -6.003 4.856 8.144 1.00 0.00 C ATOM 579 CE LYS A 38 -5.530 6.097 8.903 1.00 0.00 C ATOM 580 NZ LYS A 38 -4.797 5.708 10.128 1.00 0.00 N ATOM 0 H LYS A 38 -4.297 3.987 5.010 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.303 2.053 6.691 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.176 2.916 6.349 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.515 2.070 7.734 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -4.064 3.924 8.301 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.352 4.714 6.763 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.696 5.150 7.356 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.549 4.198 8.820 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.885 6.699 8.262 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.386 6.718 9.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.735 6.524 10.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.301 4.932 10.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.839 5.394 9.874 1.00 0.00 H new ATOM 594 N LYS A 39 -5.536 0.751 4.654 1.00 0.00 N ATOM 595 CA LYS A 39 -5.973 -0.499 4.055 1.00 0.00 C ATOM 596 C LYS A 39 -4.758 -1.244 3.498 1.00 0.00 C ATOM 597 O LYS A 39 -4.517 -2.397 3.853 1.00 0.00 O ATOM 598 CB LYS A 39 -7.066 -0.242 3.016 1.00 0.00 C ATOM 599 CG LYS A 39 -8.454 -0.283 3.659 1.00 0.00 C ATOM 600 CD LYS A 39 -9.130 1.088 3.592 1.00 0.00 C ATOM 601 CE LYS A 39 -10.653 0.951 3.636 1.00 0.00 C ATOM 602 NZ LYS A 39 -11.141 1.037 5.030 1.00 0.00 N ATOM 0 H LYS A 39 -6.072 1.571 4.369 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.426 -1.144 4.807 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.907 0.729 2.548 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.005 -0.990 2.226 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -9.073 -1.023 3.151 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.368 -0.600 4.698 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.793 1.705 4.425 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.834 1.599 2.676 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -11.112 1.736 3.035 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.951 -0.002 3.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.177 0.942 5.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.717 0.273 5.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.873 1.956 5.436 1.00 0.00 H new ATOM 616 N LEU A 40 -4.026 -0.556 2.635 1.00 0.00 N ATOM 617 CA LEU A 40 -2.843 -1.139 2.026 1.00 0.00 C ATOM 618 C LEU A 40 -2.000 -1.818 3.107 1.00 0.00 C ATOM 619 O LEU A 40 -1.696 -3.006 3.007 1.00 0.00 O ATOM 620 CB LEU A 40 -2.079 -0.084 1.223 1.00 0.00 C ATOM 621 CG LEU A 40 -2.725 0.356 -0.093 1.00 0.00 C ATOM 622 CD1 LEU A 40 -2.108 1.661 -0.597 1.00 0.00 C ATOM 623 CD2 LEU A 40 -2.649 -0.757 -1.140 1.00 0.00 C ATOM 0 H LEU A 40 -4.229 0.400 2.343 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.124 -1.910 1.309 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.946 0.796 1.852 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.084 -0.473 1.004 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.781 0.551 0.093 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.585 1.951 -1.533 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.258 2.445 0.145 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.040 1.518 -0.763 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.115 -0.418 -2.065 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.605 -1.007 -1.330 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.173 -1.639 -0.772 1.00 0.00 H new ATOM 635 N ASN A 41 -1.646 -1.035 4.115 1.00 0.00 N ATOM 636 CA ASN A 41 -0.844 -1.546 5.214 1.00 0.00 C ATOM 637 C ASN A 41 -1.498 -2.813 5.771 1.00 0.00 C ATOM 638 O ASN A 41 -0.817 -3.676 6.322 1.00 0.00 O ATOM 639 CB ASN A 41 -0.750 -0.525 6.349 1.00 0.00 C ATOM 640 CG ASN A 41 -0.169 -1.162 7.613 1.00 0.00 C ATOM 641 OD1 ASN A 41 0.983 -1.560 7.666 1.00 0.00 O ATOM 642 ND2 ASN A 41 -1.029 -1.236 8.625 1.00 0.00 N ATOM 0 H ASN A 41 -1.900 -0.050 4.194 1.00 0.00 H new ATOM 0 HA ASN A 41 0.156 -1.755 4.833 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -0.125 0.312 6.039 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -1.740 -0.121 6.563 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -0.738 -1.645 9.513 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -1.980 -0.884 8.513 1.00 0.00 H new ATOM 649 N SER A 42 -2.811 -2.883 5.607 1.00 0.00 N ATOM 650 CA SER A 42 -3.564 -4.030 6.086 1.00 0.00 C ATOM 651 C SER A 42 -3.992 -4.905 4.907 1.00 0.00 C ATOM 652 O SER A 42 -5.115 -5.405 4.876 1.00 0.00 O ATOM 653 CB SER A 42 -4.788 -3.587 6.891 1.00 0.00 C ATOM 654 OG SER A 42 -4.909 -4.305 8.116 1.00 0.00 O ATOM 0 H SER A 42 -3.372 -2.165 5.149 1.00 0.00 H new ATOM 0 HA SER A 42 -2.920 -4.611 6.745 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.717 -2.520 7.102 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.688 -3.735 6.294 1.00 0.00 H new ATOM 0 HG SER A 42 -5.701 -3.992 8.602 1.00 0.00 H new ATOM 660 N CYS A 43 -3.074 -5.063 3.965 1.00 0.00 N ATOM 661 CA CYS A 43 -3.342 -5.869 2.786 1.00 0.00 C ATOM 662 C CYS A 43 -2.109 -6.729 2.501 1.00 0.00 C ATOM 663 O CYS A 43 -0.984 -6.233 2.522 1.00 0.00 O ATOM 664 CB CYS A 43 -3.725 -5.003 1.584 1.00 0.00 C ATOM 665 SG CYS A 43 -5.451 -4.420 1.757 1.00 0.00 S ATOM 0 H CYS A 43 -2.143 -4.646 3.994 1.00 0.00 H new ATOM 0 HA CYS A 43 -4.199 -6.516 2.972 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.050 -4.150 1.510 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.617 -5.576 0.663 1.00 0.00 H new ATOM 0 HG CYS A 43 -6.143 -4.802 0.725 1.00 0.00 H new ATOM 671 N GLN A 44 -2.363 -8.003 2.241 1.00 0.00 N ATOM 672 CA GLN A 44 -1.287 -8.936 1.952 1.00 0.00 C ATOM 673 C GLN A 44 -0.719 -8.676 0.555 1.00 0.00 C ATOM 674 O GLN A 44 -0.893 -9.489 -0.351 1.00 0.00 O ATOM 675 CB GLN A 44 -1.766 -10.383 2.088 1.00 0.00 C ATOM 676 CG GLN A 44 -0.863 -11.171 3.040 1.00 0.00 C ATOM 677 CD GLN A 44 -1.539 -12.469 3.487 1.00 0.00 C ATOM 678 OE1 GLN A 44 -2.726 -12.679 3.296 1.00 0.00 O ATOM 679 NE2 GLN A 44 -0.721 -13.325 4.092 1.00 0.00 N ATOM 0 H GLN A 44 -3.298 -8.411 2.224 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.492 -8.780 2.681 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.791 -10.397 2.458 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.774 -10.861 1.109 1.00 0.00 H new ATOM 0 HG2 GLN A 44 0.081 -11.400 2.546 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.627 -10.561 3.912 1.00 0.00 H new ATOM 0 HE21 GLN A 44 0.263 -13.087 4.220 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.077 -14.220 4.428 1.00 0.00 H new ATOM 688 N MET A 45 -0.052 -7.538 0.425 1.00 0.00 N ATOM 689 CA MET A 45 0.543 -7.161 -0.846 1.00 0.00 C ATOM 690 C MET A 45 1.761 -8.030 -1.161 1.00 0.00 C ATOM 691 O MET A 45 2.439 -8.508 -0.253 1.00 0.00 O ATOM 692 CB MET A 45 0.964 -5.691 -0.796 1.00 0.00 C ATOM 693 CG MET A 45 1.735 -5.298 -2.057 1.00 0.00 C ATOM 694 SD MET A 45 1.522 -3.557 -2.386 1.00 0.00 S ATOM 695 CE MET A 45 -0.255 -3.486 -2.542 1.00 0.00 C ATOM 0 H MET A 45 0.089 -6.865 1.179 1.00 0.00 H new ATOM 0 HA MET A 45 -0.198 -7.310 -1.631 1.00 0.00 H new ATOM 0 HB2 MET A 45 0.081 -5.060 -0.694 1.00 0.00 H new ATOM 0 HB3 MET A 45 1.584 -5.516 0.083 1.00 0.00 H new ATOM 0 HG2 MET A 45 2.794 -5.526 -1.932 1.00 0.00 H new ATOM 0 HG3 MET A 45 1.382 -5.883 -2.906 1.00 0.00 H new ATOM 0 HE1 MET A 45 -0.522 -3.296 -3.582 1.00 0.00 H new ATOM 0 HE2 MET A 45 -0.686 -4.435 -2.225 1.00 0.00 H new ATOM 0 HE3 MET A 45 -0.644 -2.683 -1.915 1.00 0.00 H new ATOM 705 N SER A 46 2.002 -8.210 -2.452 1.00 0.00 N ATOM 706 CA SER A 46 3.126 -9.014 -2.898 1.00 0.00 C ATOM 707 C SER A 46 3.935 -8.247 -3.946 1.00 0.00 C ATOM 708 O SER A 46 3.641 -7.088 -4.236 1.00 0.00 O ATOM 709 CB SER A 46 2.654 -10.353 -3.468 1.00 0.00 C ATOM 710 OG SER A 46 1.560 -10.891 -2.731 1.00 0.00 O ATOM 0 H SER A 46 1.437 -7.812 -3.203 1.00 0.00 H new ATOM 0 HA SER A 46 3.762 -9.220 -2.037 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.359 -10.220 -4.509 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.481 -11.063 -3.459 1.00 0.00 H new ATOM 0 HG SER A 46 1.287 -11.745 -3.127 1.00 0.00 H new ATOM 716 N ILE A 47 4.937 -8.924 -4.487 1.00 0.00 N ATOM 717 CA ILE A 47 5.790 -8.321 -5.497 1.00 0.00 C ATOM 718 C ILE A 47 5.014 -8.205 -6.810 1.00 0.00 C ATOM 719 O ILE A 47 4.899 -7.117 -7.373 1.00 0.00 O ATOM 720 CB ILE A 47 7.102 -9.097 -5.624 1.00 0.00 C ATOM 721 CG1 ILE A 47 7.974 -8.908 -4.380 1.00 0.00 C ATOM 722 CG2 ILE A 47 7.843 -8.716 -6.907 1.00 0.00 C ATOM 723 CD1 ILE A 47 9.008 -10.029 -4.260 1.00 0.00 C ATOM 0 H ILE A 47 5.177 -9.885 -4.245 1.00 0.00 H new ATOM 0 HA ILE A 47 6.073 -7.310 -5.203 1.00 0.00 H new ATOM 0 HB ILE A 47 6.865 -10.159 -5.693 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.481 -7.944 -4.430 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.345 -8.892 -3.490 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.772 -9.282 -6.972 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.217 -8.944 -7.770 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.068 -7.650 -6.894 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.614 -9.871 -3.368 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.497 -10.989 -4.186 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.651 -10.027 -5.140 1.00 0.00 H new ATOM 735 N GLN A 48 4.502 -9.341 -7.260 1.00 0.00 N ATOM 736 CA GLN A 48 3.741 -9.380 -8.497 1.00 0.00 C ATOM 737 C GLN A 48 2.673 -8.285 -8.498 1.00 0.00 C ATOM 738 O GLN A 48 2.563 -7.520 -9.455 1.00 0.00 O ATOM 739 CB GLN A 48 3.112 -10.759 -8.710 1.00 0.00 C ATOM 740 CG GLN A 48 2.992 -11.082 -10.201 1.00 0.00 C ATOM 741 CD GLN A 48 2.073 -12.284 -10.429 1.00 0.00 C ATOM 742 OE1 GLN A 48 2.447 -13.429 -10.237 1.00 0.00 O ATOM 743 NE2 GLN A 48 0.853 -11.960 -10.848 1.00 0.00 N ATOM 0 H GLN A 48 4.599 -10.241 -6.790 1.00 0.00 H new ATOM 0 HA GLN A 48 4.423 -9.196 -9.327 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.718 -11.519 -8.217 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.126 -10.788 -8.247 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.602 -10.215 -10.734 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.980 -11.291 -10.612 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.605 -10.981 -10.989 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.165 -12.691 -11.029 1.00 0.00 H new ATOM 752 N LEU A 49 1.911 -8.244 -7.414 1.00 0.00 N ATOM 753 CA LEU A 49 0.856 -7.255 -7.278 1.00 0.00 C ATOM 754 C LEU A 49 1.477 -5.858 -7.212 1.00 0.00 C ATOM 755 O LEU A 49 0.957 -4.915 -7.806 1.00 0.00 O ATOM 756 CB LEU A 49 -0.039 -7.588 -6.083 1.00 0.00 C ATOM 757 CG LEU A 49 -0.538 -9.032 -5.999 1.00 0.00 C ATOM 758 CD1 LEU A 49 -0.925 -9.396 -4.565 1.00 0.00 C ATOM 759 CD2 LEU A 49 -1.686 -9.273 -6.981 1.00 0.00 C ATOM 0 H LEU A 49 2.004 -8.880 -6.622 1.00 0.00 H new ATOM 0 HA LEU A 49 0.203 -7.272 -8.150 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.510 -7.361 -5.169 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.905 -6.926 -6.108 1.00 0.00 H new ATOM 0 HG LEU A 49 0.279 -9.693 -6.289 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.276 -10.427 -4.534 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.056 -9.288 -3.915 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.719 -8.732 -4.223 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.022 -10.307 -6.901 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.513 -8.603 -6.745 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.342 -9.081 -7.997 1.00 0.00 H new ATOM 771 N LEU A 50 2.580 -5.770 -6.484 1.00 0.00 N ATOM 772 CA LEU A 50 3.278 -4.505 -6.332 1.00 0.00 C ATOM 773 C LEU A 50 3.530 -3.897 -7.714 1.00 0.00 C ATOM 774 O LEU A 50 3.723 -2.689 -7.839 1.00 0.00 O ATOM 775 CB LEU A 50 4.549 -4.690 -5.501 1.00 0.00 C ATOM 776 CG LEU A 50 4.448 -4.298 -4.025 1.00 0.00 C ATOM 777 CD1 LEU A 50 5.562 -4.954 -3.206 1.00 0.00 C ATOM 778 CD2 LEU A 50 4.435 -2.777 -3.861 1.00 0.00 C ATOM 0 H LEU A 50 3.008 -6.555 -5.993 1.00 0.00 H new ATOM 0 HA LEU A 50 2.663 -3.796 -5.778 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.848 -5.737 -5.559 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.347 -4.105 -5.958 1.00 0.00 H new ATOM 0 HG LEU A 50 3.500 -4.671 -3.636 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.467 -4.659 -2.161 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.482 -6.038 -3.286 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.531 -4.633 -3.587 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.363 -2.526 -2.803 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.354 -2.359 -4.271 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.579 -2.361 -4.392 1.00 0.00 H new ATOM 790 N GLN A 51 3.519 -4.763 -8.716 1.00 0.00 N ATOM 791 CA GLN A 51 3.744 -4.327 -10.084 1.00 0.00 C ATOM 792 C GLN A 51 2.409 -4.046 -10.778 1.00 0.00 C ATOM 793 O GLN A 51 2.127 -2.908 -11.150 1.00 0.00 O ATOM 794 CB GLN A 51 4.559 -5.362 -10.862 1.00 0.00 C ATOM 795 CG GLN A 51 5.997 -5.430 -10.343 1.00 0.00 C ATOM 796 CD GLN A 51 6.782 -6.539 -11.048 1.00 0.00 C ATOM 797 OE1 GLN A 51 7.425 -6.330 -12.063 1.00 0.00 O ATOM 798 NE2 GLN A 51 6.694 -7.725 -10.454 1.00 0.00 N ATOM 0 H GLN A 51 3.358 -5.764 -8.608 1.00 0.00 H new ATOM 0 HA GLN A 51 4.321 -3.402 -10.060 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.090 -6.342 -10.773 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.563 -5.106 -11.921 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.491 -4.472 -10.503 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.991 -5.610 -9.268 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.138 -7.830 -9.606 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.183 -8.530 -10.847 1.00 0.00 H new ATOM 807 N THR A 52 1.624 -5.102 -10.930 1.00 0.00 N ATOM 808 CA THR A 52 0.326 -4.983 -11.572 1.00 0.00 C ATOM 809 C THR A 52 -0.431 -3.772 -11.024 1.00 0.00 C ATOM 810 O THR A 52 -0.808 -2.877 -11.779 1.00 0.00 O ATOM 811 CB THR A 52 -0.420 -6.305 -11.380 1.00 0.00 C ATOM 812 OG1 THR A 52 -0.607 -6.395 -9.970 1.00 0.00 O ATOM 813 CG2 THR A 52 0.445 -7.520 -11.719 1.00 0.00 C ATOM 0 H THR A 52 1.862 -6.044 -10.620 1.00 0.00 H new ATOM 0 HA THR A 52 0.429 -4.805 -12.642 1.00 0.00 H new ATOM 0 HB THR A 52 -1.314 -6.311 -12.003 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.211 -7.139 -9.767 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.132 -8.432 -11.566 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.762 -7.462 -12.760 1.00 0.00 H new ATOM 0 HG23 THR A 52 1.323 -7.533 -11.073 1.00 0.00 H new ATOM 821 N THR A 53 -0.633 -3.784 -9.714 1.00 0.00 N ATOM 822 CA THR A 53 -1.338 -2.698 -9.056 1.00 0.00 C ATOM 823 C THR A 53 -0.556 -1.391 -9.196 1.00 0.00 C ATOM 824 O THR A 53 -1.147 -0.316 -9.284 1.00 0.00 O ATOM 825 CB THR A 53 -1.584 -3.106 -7.602 1.00 0.00 C ATOM 826 OG1 THR A 53 -0.293 -3.042 -7.001 1.00 0.00 O ATOM 827 CG2 THR A 53 -1.985 -4.577 -7.466 1.00 0.00 C ATOM 0 H THR A 53 -0.320 -4.529 -9.091 1.00 0.00 H new ATOM 0 HA THR A 53 -2.304 -2.513 -9.525 1.00 0.00 H new ATOM 0 HB THR A 53 -2.364 -2.476 -7.175 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.104 -3.938 -6.982 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.148 -4.814 -6.415 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.903 -4.757 -8.025 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.190 -5.209 -7.862 1.00 0.00 H new ATOM 835 N ARG A 54 0.762 -1.526 -9.212 1.00 0.00 N ATOM 836 CA ARG A 54 1.632 -0.369 -9.341 1.00 0.00 C ATOM 837 C ARG A 54 1.376 0.616 -8.198 1.00 0.00 C ATOM 838 O ARG A 54 1.535 1.824 -8.368 1.00 0.00 O ATOM 839 CB ARG A 54 1.409 0.341 -10.677 1.00 0.00 C ATOM 840 CG ARG A 54 2.643 0.221 -11.574 1.00 0.00 C ATOM 841 CD ARG A 54 2.244 -0.108 -13.014 1.00 0.00 C ATOM 842 NE ARG A 54 3.328 0.286 -13.942 1.00 0.00 N ATOM 843 CZ ARG A 54 3.233 0.224 -15.277 1.00 0.00 C ATOM 844 NH1 ARG A 54 2.104 -0.217 -15.849 1.00 0.00 N ATOM 845 NH2 ARG A 54 4.267 0.603 -16.040 1.00 0.00 N ATOM 0 H ARG A 54 1.249 -2.419 -9.138 1.00 0.00 H new ATOM 0 HA ARG A 54 2.663 -0.721 -9.298 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.544 -0.090 -11.182 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.184 1.393 -10.501 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.205 1.155 -11.553 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.303 -0.557 -11.189 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.042 -1.175 -13.109 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.324 0.415 -13.274 1.00 0.00 H new ATOM 0 HE ARG A 54 4.202 0.626 -13.540 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.317 -0.505 -15.268 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.032 -0.264 -16.865 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.126 0.939 -15.605 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.195 0.556 -17.056 1.00 0.00 H new ATOM 859 N ILE A 55 0.985 0.063 -7.059 1.00 0.00 N ATOM 860 CA ILE A 55 0.706 0.878 -5.889 1.00 0.00 C ATOM 861 C ILE A 55 2.009 1.499 -5.383 1.00 0.00 C ATOM 862 O ILE A 55 1.987 2.495 -4.661 1.00 0.00 O ATOM 863 CB ILE A 55 -0.037 0.060 -4.831 1.00 0.00 C ATOM 864 CG1 ILE A 55 -0.661 0.971 -3.772 1.00 0.00 C ATOM 865 CG2 ILE A 55 0.880 -0.996 -4.211 1.00 0.00 C ATOM 866 CD1 ILE A 55 -2.151 1.188 -4.044 1.00 0.00 C ATOM 0 H ILE A 55 0.855 -0.939 -6.922 1.00 0.00 H new ATOM 0 HA ILE A 55 0.040 1.701 -6.148 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.854 -0.470 -5.321 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.529 0.530 -2.784 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.146 1.931 -3.764 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.327 -1.563 -3.462 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.235 -1.672 -4.989 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.732 -0.506 -3.739 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.570 1.839 -3.277 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.279 1.651 -5.022 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.667 0.228 -4.027 1.00 0.00 H new ATOM 878 N GLY A 56 3.114 0.885 -5.781 1.00 0.00 N ATOM 879 CA GLY A 56 4.424 1.365 -5.377 1.00 0.00 C ATOM 880 C GLY A 56 4.637 2.814 -5.819 1.00 0.00 C ATOM 881 O GLY A 56 5.304 3.585 -5.131 1.00 0.00 O ATOM 0 H GLY A 56 3.128 0.059 -6.379 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.524 1.293 -4.294 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.197 0.731 -5.811 1.00 0.00 H new ATOM 885 N VAL A 57 4.059 3.141 -6.966 1.00 0.00 N ATOM 886 CA VAL A 57 4.177 4.484 -7.508 1.00 0.00 C ATOM 887 C VAL A 57 3.064 5.362 -6.933 1.00 0.00 C ATOM 888 O VAL A 57 3.245 6.566 -6.761 1.00 0.00 O ATOM 889 CB VAL A 57 4.169 4.433 -9.037 1.00 0.00 C ATOM 890 CG1 VAL A 57 2.865 3.826 -9.558 1.00 0.00 C ATOM 891 CG2 VAL A 57 4.404 5.823 -9.633 1.00 0.00 C ATOM 0 H VAL A 57 3.508 2.499 -7.535 1.00 0.00 H new ATOM 0 HA VAL A 57 5.127 4.932 -7.216 1.00 0.00 H new ATOM 0 HB VAL A 57 4.989 3.789 -9.355 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.885 3.801 -10.648 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.757 2.812 -9.174 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.023 4.432 -9.224 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.394 5.759 -10.721 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.616 6.499 -9.302 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.370 6.203 -9.301 1.00 0.00 H new ATOM 901 N ALA A 58 1.937 4.724 -6.651 1.00 0.00 N ATOM 902 CA ALA A 58 0.795 5.432 -6.099 1.00 0.00 C ATOM 903 C ALA A 58 1.166 6.000 -4.728 1.00 0.00 C ATOM 904 O ALA A 58 1.065 7.205 -4.503 1.00 0.00 O ATOM 905 CB ALA A 58 -0.408 4.488 -6.033 1.00 0.00 C ATOM 0 H ALA A 58 1.791 3.725 -6.795 1.00 0.00 H new ATOM 0 HA ALA A 58 0.517 6.270 -6.739 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.265 5.019 -5.619 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.649 4.136 -7.036 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.167 3.636 -5.397 1.00 0.00 H new ATOM 911 N VAL A 59 1.588 5.105 -3.847 1.00 0.00 N ATOM 912 CA VAL A 59 1.975 5.501 -2.503 1.00 0.00 C ATOM 913 C VAL A 59 3.017 6.619 -2.587 1.00 0.00 C ATOM 914 O VAL A 59 2.786 7.725 -2.102 1.00 0.00 O ATOM 915 CB VAL A 59 2.466 4.283 -1.719 1.00 0.00 C ATOM 916 CG1 VAL A 59 2.905 4.680 -0.308 1.00 0.00 C ATOM 917 CG2 VAL A 59 1.395 3.192 -1.674 1.00 0.00 C ATOM 0 H VAL A 59 1.671 4.106 -4.038 1.00 0.00 H new ATOM 0 HA VAL A 59 1.117 5.896 -1.958 1.00 0.00 H new ATOM 0 HB VAL A 59 3.335 3.878 -2.238 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.250 3.796 0.228 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.716 5.406 -0.370 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.063 5.122 0.224 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.770 2.337 -1.111 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.499 3.581 -1.190 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.152 2.879 -2.689 1.00 0.00 H new ATOM 927 N ASN A 60 4.142 6.290 -3.204 1.00 0.00 N ATOM 928 CA ASN A 60 5.220 7.252 -3.357 1.00 0.00 C ATOM 929 C ASN A 60 4.655 8.563 -3.908 1.00 0.00 C ATOM 930 O ASN A 60 4.998 9.642 -3.428 1.00 0.00 O ATOM 931 CB ASN A 60 6.277 6.744 -4.339 1.00 0.00 C ATOM 932 CG ASN A 60 7.466 7.704 -4.411 1.00 0.00 C ATOM 933 OD1 ASN A 60 7.538 8.582 -5.255 1.00 0.00 O ATOM 934 ND2 ASN A 60 8.392 7.489 -3.481 1.00 0.00 N ATOM 0 H ASN A 60 4.331 5.371 -3.604 1.00 0.00 H new ATOM 0 HA ASN A 60 5.678 7.402 -2.379 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.621 5.757 -4.030 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.835 6.632 -5.329 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.225 8.077 -3.445 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.270 6.736 -2.804 1.00 0.00 H new ATOM 941 N GLY A 61 3.797 8.425 -4.909 1.00 0.00 N ATOM 942 CA GLY A 61 3.180 9.585 -5.531 1.00 0.00 C ATOM 943 C GLY A 61 2.557 10.504 -4.479 1.00 0.00 C ATOM 944 O GLY A 61 2.556 11.724 -4.637 1.00 0.00 O ATOM 0 H GLY A 61 3.515 7.528 -5.304 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.927 10.135 -6.104 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.414 9.260 -6.235 1.00 0.00 H new ATOM 948 N VAL A 62 2.041 9.884 -3.428 1.00 0.00 N ATOM 949 CA VAL A 62 1.416 10.631 -2.350 1.00 0.00 C ATOM 950 C VAL A 62 2.498 11.157 -1.405 1.00 0.00 C ATOM 951 O VAL A 62 2.550 12.353 -1.120 1.00 0.00 O ATOM 952 CB VAL A 62 0.377 9.759 -1.642 1.00 0.00 C ATOM 953 CG1 VAL A 62 -0.651 10.619 -0.905 1.00 0.00 C ATOM 954 CG2 VAL A 62 -0.307 8.811 -2.629 1.00 0.00 C ATOM 0 H VAL A 62 2.043 8.872 -3.300 1.00 0.00 H new ATOM 0 HA VAL A 62 0.881 11.495 -2.745 1.00 0.00 H new ATOM 0 HB VAL A 62 0.898 9.152 -0.901 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.378 9.974 -0.411 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.145 11.233 -0.160 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.164 11.264 -1.618 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.041 8.203 -2.100 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.808 9.392 -3.404 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.440 8.162 -3.087 1.00 0.00 H new ATOM 964 N ARG A 63 3.336 10.239 -0.946 1.00 0.00 N ATOM 965 CA ARG A 63 4.414 10.595 -0.040 1.00 0.00 C ATOM 966 C ARG A 63 5.233 11.751 -0.617 1.00 0.00 C ATOM 967 O ARG A 63 5.940 12.443 0.114 1.00 0.00 O ATOM 968 CB ARG A 63 5.337 9.402 0.215 1.00 0.00 C ATOM 969 CG ARG A 63 6.641 9.849 0.879 1.00 0.00 C ATOM 970 CD ARG A 63 7.572 8.659 1.115 1.00 0.00 C ATOM 971 NE ARG A 63 8.841 9.121 1.720 1.00 0.00 N ATOM 972 CZ ARG A 63 9.911 8.338 1.912 1.00 0.00 C ATOM 973 NH1 ARG A 63 9.872 7.049 1.548 1.00 0.00 N ATOM 974 NH2 ARG A 63 11.020 8.844 2.469 1.00 0.00 N ATOM 0 H ARG A 63 3.290 9.248 -1.185 1.00 0.00 H new ATOM 0 HA ARG A 63 3.965 10.900 0.905 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.831 8.676 0.851 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.558 8.901 -0.727 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.140 10.586 0.250 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.421 10.337 1.828 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.090 7.934 1.771 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.773 8.151 0.172 1.00 0.00 H new ATOM 0 HE ARG A 63 8.905 10.097 2.009 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.028 6.664 1.125 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.687 6.453 1.694 1.00 0.00 H new ATOM 0 HH21 ARG A 63 11.049 9.825 2.747 1.00 0.00 H new ATOM 0 HH22 ARG A 63 11.835 8.248 2.615 1.00 0.00 H new ATOM 988 N LYS A 64 5.110 11.926 -1.925 1.00 0.00 N ATOM 989 CA LYS A 64 5.830 12.986 -2.609 1.00 0.00 C ATOM 990 C LYS A 64 4.891 14.173 -2.833 1.00 0.00 C ATOM 991 O LYS A 64 5.295 15.325 -2.683 1.00 0.00 O ATOM 992 CB LYS A 64 6.469 12.457 -3.895 1.00 0.00 C ATOM 993 CG LYS A 64 6.687 13.586 -4.904 1.00 0.00 C ATOM 994 CD LYS A 64 7.193 13.038 -6.240 1.00 0.00 C ATOM 995 CE LYS A 64 8.420 13.814 -6.721 1.00 0.00 C ATOM 996 NZ LYS A 64 8.188 14.362 -8.076 1.00 0.00 N ATOM 0 H LYS A 64 4.522 11.351 -2.529 1.00 0.00 H new ATOM 0 HA LYS A 64 6.656 13.343 -1.994 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.423 11.983 -3.663 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.830 11.691 -4.334 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.753 14.126 -5.059 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.406 14.301 -4.505 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.445 11.983 -6.133 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.402 13.102 -6.987 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.640 14.625 -6.027 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.291 13.159 -6.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 9.031 14.886 -8.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 8.000 13.582 -8.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.370 15.003 -8.056 1.00 0.00 H new ATOM 1010 N HIS A 65 3.656 13.851 -3.187 1.00 0.00 N ATOM 1011 CA HIS A 65 2.656 14.876 -3.432 1.00 0.00 C ATOM 1012 C HIS A 65 1.972 15.251 -2.116 1.00 0.00 C ATOM 1013 O HIS A 65 0.917 15.884 -2.119 1.00 0.00 O ATOM 1014 CB HIS A 65 1.666 14.423 -4.507 1.00 0.00 C ATOM 1015 CG HIS A 65 2.290 14.209 -5.866 1.00 0.00 C ATOM 1016 ND1 HIS A 65 3.426 13.547 -6.230 1.00 0.00 N flip ATOM 1017 CD2 HIS A 65 1.736 14.706 -7.032 1.00 0.00 C flip ATOM 1018 CE1 HIS A 65 3.557 13.634 -7.548 1.00 0.00 C flip ATOM 1019 NE2 HIS A 65 2.511 14.353 -8.047 1.00 0.00 N flip ATOM 0 H HIS A 65 3.325 12.894 -3.310 1.00 0.00 H new ATOM 0 HA HIS A 65 3.138 15.774 -3.819 1.00 0.00 H new ATOM 0 HB2 HIS A 65 1.195 13.494 -4.185 1.00 0.00 H new ATOM 0 HB3 HIS A 65 0.875 15.168 -4.595 1.00 0.00 H new ATOM 0 HD2 HIS A 65 0.826 15.284 -7.103 1.00 0.00 H new ATOM 0 HE1 HIS A 65 4.360 13.206 -8.130 1.00 0.00 H new ATOM 0 HE2 HIS A 65 2.353 14.579 -9.029 1.00 0.00 H new ATOM 1061 N LYS A 69 2.138 13.887 7.822 1.00 0.00 N ATOM 1062 CA LYS A 69 2.896 13.074 8.758 1.00 0.00 C ATOM 1063 C LYS A 69 2.267 11.681 8.842 1.00 0.00 C ATOM 1064 O LYS A 69 2.935 10.679 8.591 1.00 0.00 O ATOM 1065 CB LYS A 69 3.010 13.780 10.110 1.00 0.00 C ATOM 1066 CG LYS A 69 4.276 14.635 10.177 1.00 0.00 C ATOM 1067 CD LYS A 69 4.788 14.746 11.615 1.00 0.00 C ATOM 1068 CE LYS A 69 5.668 15.985 11.790 1.00 0.00 C ATOM 1069 NZ LYS A 69 5.962 16.214 13.222 1.00 0.00 N ATOM 0 HA LYS A 69 3.919 12.942 8.407 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.134 14.408 10.271 1.00 0.00 H new ATOM 0 HB3 LYS A 69 3.024 13.040 10.910 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.049 14.197 9.545 1.00 0.00 H new ATOM 0 HG3 LYS A 69 4.068 15.630 9.783 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.944 14.795 12.303 1.00 0.00 H new ATOM 0 HD3 LYS A 69 5.357 13.852 11.872 1.00 0.00 H new ATOM 0 HE2 LYS A 69 6.599 15.858 11.237 1.00 0.00 H new ATOM 0 HE3 LYS A 69 5.165 16.857 11.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 6.560 17.059 13.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.072 16.356 13.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 6.461 15.388 13.610 1.00 0.00 H new ATOM 1083 N GLU A 70 0.991 11.663 9.197 1.00 0.00 N ATOM 1084 CA GLU A 70 0.265 10.410 9.317 1.00 0.00 C ATOM 1085 C GLU A 70 0.043 9.790 7.936 1.00 0.00 C ATOM 1086 O GLU A 70 0.276 8.598 7.742 1.00 0.00 O ATOM 1087 CB GLU A 70 -1.064 10.614 10.047 1.00 0.00 C ATOM 1088 CG GLU A 70 -0.844 10.786 11.551 1.00 0.00 C ATOM 1089 CD GLU A 70 -0.750 12.266 11.926 1.00 0.00 C ATOM 1090 OE1 GLU A 70 -1.823 12.906 11.985 1.00 0.00 O ATOM 1091 OE2 GLU A 70 0.391 12.725 12.146 1.00 0.00 O ATOM 0 H GLU A 70 0.441 12.496 9.406 1.00 0.00 H new ATOM 0 HA GLU A 70 0.865 9.720 9.910 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.571 11.492 9.647 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.717 9.760 9.867 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.664 10.320 12.098 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.070 10.273 11.849 1.00 0.00 H new ATOM 1098 N VAL A 71 -0.404 10.628 7.012 1.00 0.00 N ATOM 1099 CA VAL A 71 -0.660 10.177 5.654 1.00 0.00 C ATOM 1100 C VAL A 71 0.667 9.813 4.984 1.00 0.00 C ATOM 1101 O VAL A 71 0.717 8.916 4.144 1.00 0.00 O ATOM 1102 CB VAL A 71 -1.445 11.243 4.888 1.00 0.00 C ATOM 1103 CG1 VAL A 71 -1.484 10.925 3.392 1.00 0.00 C ATOM 1104 CG2 VAL A 71 -2.858 11.396 5.454 1.00 0.00 C ATOM 0 H VAL A 71 -0.595 11.616 7.177 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.278 9.279 5.659 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.929 12.195 5.015 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.048 11.698 2.870 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.467 10.891 3.001 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.965 9.959 3.238 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.395 12.160 4.891 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.387 10.447 5.373 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.800 11.690 6.502 1.00 0.00 H new ATOM 1114 N VAL A 72 1.709 10.529 5.380 1.00 0.00 N ATOM 1115 CA VAL A 72 3.032 10.294 4.827 1.00 0.00 C ATOM 1116 C VAL A 72 3.681 9.115 5.555 1.00 0.00 C ATOM 1117 O VAL A 72 4.479 8.383 4.970 1.00 0.00 O ATOM 1118 CB VAL A 72 3.866 11.574 4.902 1.00 0.00 C ATOM 1119 CG1 VAL A 72 5.358 11.252 5.008 1.00 0.00 C ATOM 1120 CG2 VAL A 72 3.586 12.482 3.703 1.00 0.00 C ATOM 0 H VAL A 72 1.664 11.272 6.077 1.00 0.00 H new ATOM 0 HA VAL A 72 2.963 10.028 3.772 1.00 0.00 H new ATOM 0 HB VAL A 72 3.574 12.111 5.805 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.928 12.180 5.060 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.540 10.664 5.907 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.670 10.683 4.133 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.192 13.385 3.781 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.836 11.956 2.782 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.530 12.753 3.691 1.00 0.00 H new ATOM 1130 N SER A 73 3.314 8.966 6.819 1.00 0.00 N ATOM 1131 CA SER A 73 3.850 7.888 7.632 1.00 0.00 C ATOM 1132 C SER A 73 3.565 6.540 6.968 1.00 0.00 C ATOM 1133 O SER A 73 4.487 5.852 6.531 1.00 0.00 O ATOM 1134 CB SER A 73 3.263 7.919 9.045 1.00 0.00 C ATOM 1135 OG SER A 73 4.228 8.313 10.016 1.00 0.00 O ATOM 0 H SER A 73 2.652 9.574 7.300 1.00 0.00 H new ATOM 0 HA SER A 73 4.928 8.025 7.713 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.419 8.609 9.072 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.876 6.932 9.298 1.00 0.00 H new ATOM 0 HG SER A 73 3.814 8.322 10.904 1.00 0.00 H new ATOM 1141 N LEU A 74 2.285 6.202 6.912 1.00 0.00 N ATOM 1142 CA LEU A 74 1.867 4.949 6.308 1.00 0.00 C ATOM 1143 C LEU A 74 2.502 4.819 4.922 1.00 0.00 C ATOM 1144 O LEU A 74 3.048 3.770 4.581 1.00 0.00 O ATOM 1145 CB LEU A 74 0.341 4.841 6.298 1.00 0.00 C ATOM 1146 CG LEU A 74 -0.264 3.805 7.246 1.00 0.00 C ATOM 1147 CD1 LEU A 74 0.464 3.800 8.592 1.00 0.00 C ATOM 1148 CD2 LEU A 74 -1.770 4.025 7.410 1.00 0.00 C ATOM 0 H LEU A 74 1.523 6.775 7.275 1.00 0.00 H new ATOM 0 HA LEU A 74 2.219 4.105 6.901 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -0.074 5.818 6.546 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.020 4.607 5.283 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.128 2.818 6.804 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.013 3.054 9.247 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.515 3.558 8.436 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.383 4.784 9.053 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.175 3.275 8.089 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.950 5.019 7.818 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.258 3.938 6.439 1.00 0.00 H new ATOM 1160 N ALA A 75 2.410 5.899 4.160 1.00 0.00 N ATOM 1161 CA ALA A 75 2.968 5.918 2.819 1.00 0.00 C ATOM 1162 C ALA A 75 4.427 5.462 2.872 1.00 0.00 C ATOM 1163 O ALA A 75 4.854 4.639 2.063 1.00 0.00 O ATOM 1164 CB ALA A 75 2.817 7.320 2.223 1.00 0.00 C ATOM 0 H ALA A 75 1.957 6.767 4.446 1.00 0.00 H new ATOM 0 HA ALA A 75 2.430 5.227 2.170 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.236 7.335 1.217 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.761 7.585 2.180 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.347 8.040 2.847 1.00 0.00 H new ATOM 1170 N LYS A 76 5.153 6.015 3.832 1.00 0.00 N ATOM 1171 CA LYS A 76 6.555 5.675 4.002 1.00 0.00 C ATOM 1172 C LYS A 76 6.674 4.202 4.399 1.00 0.00 C ATOM 1173 O LYS A 76 7.411 3.444 3.772 1.00 0.00 O ATOM 1174 CB LYS A 76 7.224 6.634 4.988 1.00 0.00 C ATOM 1175 CG LYS A 76 7.489 7.994 4.337 1.00 0.00 C ATOM 1176 CD LYS A 76 7.958 9.016 5.374 1.00 0.00 C ATOM 1177 CE LYS A 76 8.669 10.192 4.702 1.00 0.00 C ATOM 1178 NZ LYS A 76 9.156 11.152 5.717 1.00 0.00 N ATOM 0 H LYS A 76 4.796 6.697 4.501 1.00 0.00 H new ATOM 0 HA LYS A 76 7.093 5.796 3.062 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.587 6.764 5.863 1.00 0.00 H new ATOM 0 HB3 LYS A 76 8.163 6.205 5.338 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.245 7.888 3.559 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.581 8.353 3.853 1.00 0.00 H new ATOM 0 HD2 LYS A 76 7.103 9.381 5.943 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.632 8.536 6.084 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.506 9.827 4.107 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.986 10.694 4.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.636 11.944 5.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 8.351 11.514 6.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.824 10.674 6.355 1.00 0.00 H new ATOM 1192 N VAL A 77 5.937 3.842 5.440 1.00 0.00 N ATOM 1193 CA VAL A 77 5.951 2.474 5.929 1.00 0.00 C ATOM 1194 C VAL A 77 5.635 1.521 4.774 1.00 0.00 C ATOM 1195 O VAL A 77 6.289 0.492 4.618 1.00 0.00 O ATOM 1196 CB VAL A 77 4.983 2.329 7.105 1.00 0.00 C ATOM 1197 CG1 VAL A 77 4.667 0.857 7.377 1.00 0.00 C ATOM 1198 CG2 VAL A 77 5.536 3.012 8.358 1.00 0.00 C ATOM 0 H VAL A 77 5.327 4.474 5.958 1.00 0.00 H new ATOM 0 HA VAL A 77 6.940 2.213 6.305 1.00 0.00 H new ATOM 0 HB VAL A 77 4.052 2.827 6.835 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.977 0.782 8.218 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.210 0.413 6.492 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.588 0.325 7.615 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.829 2.894 9.179 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.488 2.556 8.631 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.686 4.073 8.158 1.00 0.00 H new ATOM 1208 N LEU A 78 4.632 1.899 3.995 1.00 0.00 N ATOM 1209 CA LEU A 78 4.222 1.091 2.859 1.00 0.00 C ATOM 1210 C LEU A 78 5.423 0.866 1.938 1.00 0.00 C ATOM 1211 O LEU A 78 5.561 -0.201 1.342 1.00 0.00 O ATOM 1212 CB LEU A 78 3.019 1.725 2.157 1.00 0.00 C ATOM 1213 CG LEU A 78 1.677 1.601 2.883 1.00 0.00 C ATOM 1214 CD1 LEU A 78 0.562 2.290 2.094 1.00 0.00 C ATOM 1215 CD2 LEU A 78 1.348 0.137 3.181 1.00 0.00 C ATOM 0 H LEU A 78 4.091 2.754 4.128 1.00 0.00 H new ATOM 0 HA LEU A 78 3.887 0.109 3.192 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.230 2.783 2.003 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.919 1.273 1.170 1.00 0.00 H new ATOM 0 HG LEU A 78 1.758 2.114 3.841 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.381 2.187 2.631 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.799 3.347 1.976 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.472 1.827 1.111 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.390 0.077 3.697 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.292 -0.421 2.246 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.127 -0.290 3.812 1.00 0.00 H new ATOM 1227 N ILE A 79 6.261 1.889 1.851 1.00 0.00 N ATOM 1228 CA ILE A 79 7.445 1.816 1.013 1.00 0.00 C ATOM 1229 C ILE A 79 8.467 0.879 1.661 1.00 0.00 C ATOM 1230 O ILE A 79 9.005 -0.009 1.002 1.00 0.00 O ATOM 1231 CB ILE A 79 7.989 3.218 0.731 1.00 0.00 C ATOM 1232 CG1 ILE A 79 7.417 3.776 -0.574 1.00 0.00 C ATOM 1233 CG2 ILE A 79 9.519 3.224 0.735 1.00 0.00 C ATOM 1234 CD1 ILE A 79 5.925 4.083 -0.432 1.00 0.00 C ATOM 0 H ILE A 79 6.143 2.772 2.347 1.00 0.00 H new ATOM 0 HA ILE A 79 7.197 1.393 0.039 1.00 0.00 H new ATOM 0 HB ILE A 79 7.663 3.879 1.534 1.00 0.00 H new ATOM 0 HG12 ILE A 79 7.954 4.683 -0.852 1.00 0.00 H new ATOM 0 HG13 ILE A 79 7.569 3.057 -1.379 1.00 0.00 H new ATOM 0 HG21 ILE A 79 9.879 4.232 0.532 1.00 0.00 H new ATOM 0 HG22 ILE A 79 9.882 2.898 1.710 1.00 0.00 H new ATOM 0 HG23 ILE A 79 9.888 2.545 -0.034 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.544 4.478 -1.374 1.00 0.00 H new ATOM 0 HD12 ILE A 79 5.388 3.169 -0.178 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.779 4.821 0.357 1.00 0.00 H new ATOM 1246 N LYS A 80 8.703 1.110 2.944 1.00 0.00 N ATOM 1247 CA LYS A 80 9.650 0.298 3.688 1.00 0.00 C ATOM 1248 C LYS A 80 9.146 -1.146 3.741 1.00 0.00 C ATOM 1249 O LYS A 80 9.785 -2.050 3.207 1.00 0.00 O ATOM 1250 CB LYS A 80 9.913 0.909 5.066 1.00 0.00 C ATOM 1251 CG LYS A 80 11.162 0.299 5.707 1.00 0.00 C ATOM 1252 CD LYS A 80 11.134 0.464 7.227 1.00 0.00 C ATOM 1253 CE LYS A 80 11.369 -0.875 7.929 1.00 0.00 C ATOM 1254 NZ LYS A 80 11.463 -0.684 9.393 1.00 0.00 N ATOM 0 H LYS A 80 8.255 1.848 3.487 1.00 0.00 H new ATOM 0 HA LYS A 80 10.616 0.280 3.183 1.00 0.00 H new ATOM 0 HB2 LYS A 80 10.038 1.988 4.972 1.00 0.00 H new ATOM 0 HB3 LYS A 80 9.051 0.743 5.712 1.00 0.00 H new ATOM 0 HG2 LYS A 80 11.225 -0.759 5.454 1.00 0.00 H new ATOM 0 HG3 LYS A 80 12.054 0.778 5.302 1.00 0.00 H new ATOM 0 HD2 LYS A 80 11.899 1.178 7.533 1.00 0.00 H new ATOM 0 HD3 LYS A 80 10.173 0.876 7.534 1.00 0.00 H new ATOM 0 HE2 LYS A 80 10.554 -1.561 7.698 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.286 -1.331 7.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 11.623 -1.603 9.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 12.255 -0.046 9.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.577 -0.269 9.746 1.00 0.00 H new ATOM 1268 N ASN A 81 8.004 -1.316 4.391 1.00 0.00 N ATOM 1269 CA ASN A 81 7.407 -2.634 4.522 1.00 0.00 C ATOM 1270 C ASN A 81 7.521 -3.375 3.188 1.00 0.00 C ATOM 1271 O ASN A 81 7.988 -4.513 3.144 1.00 0.00 O ATOM 1272 CB ASN A 81 5.923 -2.534 4.881 1.00 0.00 C ATOM 1273 CG ASN A 81 5.724 -2.550 6.397 1.00 0.00 C ATOM 1274 OD1 ASN A 81 6.610 -2.892 7.162 1.00 0.00 O ATOM 1275 ND2 ASN A 81 4.513 -2.162 6.788 1.00 0.00 N ATOM 0 H ASN A 81 7.476 -0.563 4.833 1.00 0.00 H new ATOM 0 HA ASN A 81 7.935 -3.166 5.314 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.506 -1.617 4.465 1.00 0.00 H new ATOM 0 HB3 ASN A 81 5.379 -3.364 4.430 1.00 0.00 H new ATOM 0 HD21 ASN A 81 4.281 -2.138 7.781 1.00 0.00 H new ATOM 0 HD22 ASN A 81 3.817 -1.888 6.095 1.00 0.00 H new ATOM 1282 N TRP A 82 7.087 -2.701 2.133 1.00 0.00 N ATOM 1283 CA TRP A 82 7.135 -3.281 0.802 1.00 0.00 C ATOM 1284 C TRP A 82 8.603 -3.518 0.442 1.00 0.00 C ATOM 1285 O TRP A 82 8.947 -4.553 -0.126 1.00 0.00 O ATOM 1286 CB TRP A 82 6.407 -2.394 -0.209 1.00 0.00 C ATOM 1287 CG TRP A 82 4.882 -2.436 -0.090 1.00 0.00 C ATOM 1288 CD1 TRP A 82 4.121 -3.411 0.426 1.00 0.00 C ATOM 1289 CD2 TRP A 82 3.958 -1.413 -0.518 1.00 0.00 C ATOM 1290 NE1 TRP A 82 2.780 -3.093 0.362 1.00 0.00 N ATOM 1291 CE2 TRP A 82 2.677 -1.840 -0.231 1.00 0.00 C ATOM 1292 CE3 TRP A 82 4.196 -0.169 -1.129 1.00 0.00 C ATOM 1293 CZ2 TRP A 82 1.534 -1.084 -0.518 1.00 0.00 C ATOM 1294 CZ3 TRP A 82 3.043 0.574 -1.409 1.00 0.00 C ATOM 1295 CH2 TRP A 82 1.747 0.159 -1.126 1.00 0.00 C ATOM 0 H TRP A 82 6.700 -1.758 2.173 1.00 0.00 H new ATOM 0 HA TRP A 82 6.612 -4.237 0.779 1.00 0.00 H new ATOM 0 HB2 TRP A 82 6.743 -1.365 -0.082 1.00 0.00 H new ATOM 0 HB3 TRP A 82 6.691 -2.700 -1.216 1.00 0.00 H new ATOM 0 HD1 TRP A 82 4.509 -4.330 0.840 1.00 0.00 H new ATOM 0 HE1 TRP A 82 2.006 -3.671 0.690 1.00 0.00 H new ATOM 0 HE3 TRP A 82 5.189 0.185 -1.364 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 0.542 -1.440 -0.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 3.170 1.538 -1.878 1.00 0.00 H new ATOM 0 HH2 TRP A 82 0.908 0.792 -1.374 1.00 0.00 H new ATOM 1306 N LYS A 83 9.429 -2.541 0.788 1.00 0.00 N ATOM 1307 CA LYS A 83 10.852 -2.630 0.508 1.00 0.00 C ATOM 1308 C LYS A 83 11.314 -4.076 0.695 1.00 0.00 C ATOM 1309 O LYS A 83 11.912 -4.662 -0.206 1.00 0.00 O ATOM 1310 CB LYS A 83 11.629 -1.621 1.356 1.00 0.00 C ATOM 1311 CG LYS A 83 12.963 -1.264 0.698 1.00 0.00 C ATOM 1312 CD LYS A 83 14.030 -0.960 1.752 1.00 0.00 C ATOM 1313 CE LYS A 83 15.148 -0.096 1.166 1.00 0.00 C ATOM 1314 NZ LYS A 83 16.463 -0.748 1.358 1.00 0.00 N ATOM 0 H LYS A 83 9.140 -1.684 1.260 1.00 0.00 H new ATOM 0 HA LYS A 83 11.054 -2.362 -0.529 1.00 0.00 H new ATOM 0 HB2 LYS A 83 11.033 -0.718 1.491 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.808 -2.036 2.348 1.00 0.00 H new ATOM 0 HG2 LYS A 83 13.294 -2.089 0.068 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.832 -0.399 0.048 1.00 0.00 H new ATOM 0 HD2 LYS A 83 13.574 -0.446 2.599 1.00 0.00 H new ATOM 0 HD3 LYS A 83 14.447 -1.893 2.132 1.00 0.00 H new ATOM 0 HE2 LYS A 83 14.969 0.069 0.103 1.00 0.00 H new ATOM 0 HE3 LYS A 83 15.148 0.883 1.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 17.210 -0.148 0.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 16.638 -0.883 2.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 16.465 -1.672 0.881 1.00 0.00 H new ATOM 1328 N ARG A 84 11.020 -4.610 1.872 1.00 0.00 N ATOM 1329 CA ARG A 84 11.399 -5.977 2.189 1.00 0.00 C ATOM 1330 C ARG A 84 11.257 -6.867 0.953 1.00 0.00 C ATOM 1331 O ARG A 84 12.217 -7.515 0.536 1.00 0.00 O ATOM 1332 CB ARG A 84 10.533 -6.541 3.317 1.00 0.00 C ATOM 1333 CG ARG A 84 11.077 -6.126 4.686 1.00 0.00 C ATOM 1334 CD ARG A 84 10.254 -4.982 5.280 1.00 0.00 C ATOM 1335 NE ARG A 84 10.394 -4.968 6.753 1.00 0.00 N ATOM 1336 CZ ARG A 84 9.827 -5.866 7.570 1.00 0.00 C ATOM 1337 NH1 ARG A 84 9.078 -6.855 7.062 1.00 0.00 N ATOM 1338 NH2 ARG A 84 10.010 -5.776 8.894 1.00 0.00 N ATOM 0 H ARG A 84 10.524 -4.121 2.617 1.00 0.00 H new ATOM 0 HA ARG A 84 12.439 -5.966 2.516 1.00 0.00 H new ATOM 0 HB2 ARG A 84 9.508 -6.186 3.206 1.00 0.00 H new ATOM 0 HB3 ARG A 84 10.503 -7.628 3.248 1.00 0.00 H new ATOM 0 HG2 ARG A 84 11.059 -6.981 5.362 1.00 0.00 H new ATOM 0 HG3 ARG A 84 12.118 -5.818 4.589 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.587 -4.030 4.866 1.00 0.00 H new ATOM 0 HD3 ARG A 84 9.205 -5.098 5.007 1.00 0.00 H new ATOM 0 HE ARG A 84 10.957 -4.228 7.173 1.00 0.00 H new ATOM 0 HH11 ARG A 84 8.940 -6.924 6.054 1.00 0.00 H new ATOM 0 HH12 ARG A 84 8.646 -7.539 7.684 1.00 0.00 H new ATOM 0 HH21 ARG A 84 10.581 -5.024 9.280 1.00 0.00 H new ATOM 0 HH22 ARG A 84 9.578 -6.459 9.516 1.00 0.00 H new