USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=11 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+ -170:sc= -0.302 (180deg=-0.441) 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 -125:sc= -3.49 (180deg=-6.45!) 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 44:sc= -0.43 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= -0.568 K(o=-0.57,f=-3!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot -130:sc= -0.803 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 MET CE :methyl 159:sc= -5.38! (180deg=-7.18!) USER MOD Single : A 46 SER OG : rot 180:sc= -0.511 USER MOD Single : A 48 GLN : amide:sc= -0.0362 K(o=-0.036,f=-1.7!) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot -93:sc= -0.897 USER MOD Single : A 53 THR OG1 : rot -96:sc= 0.918 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 : no HD1:sc= -1.48 X(o=-1.5,f=-1.3) 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= -0.0115 K(o=-0.011,f=-1.3) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 90 N LEU A 10 -8.468 -8.956 -3.623 1.00 0.00 N ATOM 91 CA LEU A 10 -7.402 -8.077 -3.172 1.00 0.00 C ATOM 92 C LEU A 10 -6.957 -7.186 -4.333 1.00 0.00 C ATOM 93 O LEU A 10 -7.179 -5.976 -4.312 1.00 0.00 O ATOM 94 CB LEU A 10 -6.265 -8.890 -2.550 1.00 0.00 C ATOM 95 CG LEU A 10 -5.201 -8.088 -1.797 1.00 0.00 C ATOM 96 CD1 LEU A 10 -5.641 -7.809 -0.358 1.00 0.00 C ATOM 97 CD2 LEU A 10 -3.842 -8.788 -1.856 1.00 0.00 C ATOM 0 HA LEU A 10 -7.760 -7.417 -2.382 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.698 -9.616 -1.862 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.773 -9.455 -3.342 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.087 -7.123 -2.291 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.867 -7.238 0.155 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.569 -7.237 -0.366 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.801 -8.753 0.163 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.104 -8.197 -1.313 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.921 -9.776 -1.401 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.531 -8.891 -2.895 1.00 0.00 H new ATOM 109 N GLU A 11 -6.337 -7.817 -5.319 1.00 0.00 N ATOM 110 CA GLU A 11 -5.859 -7.096 -6.486 1.00 0.00 C ATOM 111 C GLU A 11 -6.870 -6.024 -6.899 1.00 0.00 C ATOM 112 O GLU A 11 -6.572 -4.832 -6.845 1.00 0.00 O ATOM 113 CB GLU A 11 -5.573 -8.055 -7.644 1.00 0.00 C ATOM 114 CG GLU A 11 -4.405 -7.553 -8.495 1.00 0.00 C ATOM 115 CD GLU A 11 -3.525 -8.716 -8.958 1.00 0.00 C ATOM 116 OE1 GLU A 11 -4.109 -9.739 -9.376 1.00 0.00 O ATOM 117 OE2 GLU A 11 -2.287 -8.557 -8.882 1.00 0.00 O ATOM 0 H GLU A 11 -6.155 -8.820 -5.334 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.922 -6.603 -6.226 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.343 -9.046 -7.252 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.463 -8.157 -8.265 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.787 -7.014 -9.362 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.807 -6.847 -7.919 1.00 0.00 H new ATOM 124 N GLU A 12 -8.044 -6.487 -7.301 1.00 0.00 N ATOM 125 CA GLU A 12 -9.100 -5.583 -7.722 1.00 0.00 C ATOM 126 C GLU A 12 -9.238 -4.427 -6.729 1.00 0.00 C ATOM 127 O GLU A 12 -9.526 -3.298 -7.121 1.00 0.00 O ATOM 128 CB GLU A 12 -10.427 -6.327 -7.884 1.00 0.00 C ATOM 129 CG GLU A 12 -10.735 -6.584 -9.361 1.00 0.00 C ATOM 130 CD GLU A 12 -11.715 -7.749 -9.522 1.00 0.00 C ATOM 131 OE1 GLU A 12 -11.358 -8.857 -9.067 1.00 0.00 O ATOM 132 OE2 GLU A 12 -12.798 -7.504 -10.096 1.00 0.00 O ATOM 0 H GLU A 12 -8.287 -7.477 -7.344 1.00 0.00 H new ATOM 0 HA GLU A 12 -8.831 -5.171 -8.694 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -10.384 -7.275 -7.347 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -11.232 -5.744 -7.437 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -11.157 -5.685 -9.810 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -9.811 -6.805 -9.896 1.00 0.00 H new ATOM 139 N GLU A 13 -9.025 -4.750 -5.461 1.00 0.00 N ATOM 140 CA GLU A 13 -9.122 -3.753 -4.409 1.00 0.00 C ATOM 141 C GLU A 13 -7.877 -2.865 -4.404 1.00 0.00 C ATOM 142 O GLU A 13 -7.982 -1.642 -4.315 1.00 0.00 O ATOM 143 CB GLU A 13 -9.329 -4.415 -3.045 1.00 0.00 C ATOM 144 CG GLU A 13 -8.676 -3.592 -1.932 1.00 0.00 C ATOM 145 CD GLU A 13 -9.332 -3.881 -0.580 1.00 0.00 C ATOM 146 OE1 GLU A 13 -10.399 -3.281 -0.328 1.00 0.00 O ATOM 147 OE2 GLU A 13 -8.751 -4.694 0.170 1.00 0.00 O ATOM 0 H GLU A 13 -8.786 -5.688 -5.139 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.991 -3.126 -4.608 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -10.395 -4.521 -2.846 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.906 -5.419 -3.056 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.612 -3.823 -1.881 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.761 -2.530 -2.162 1.00 0.00 H new ATOM 154 N LEU A 14 -6.725 -3.513 -4.500 1.00 0.00 N ATOM 155 CA LEU A 14 -5.461 -2.797 -4.508 1.00 0.00 C ATOM 156 C LEU A 14 -5.459 -1.787 -5.657 1.00 0.00 C ATOM 157 O LEU A 14 -5.153 -0.613 -5.456 1.00 0.00 O ATOM 158 CB LEU A 14 -4.289 -3.780 -4.550 1.00 0.00 C ATOM 159 CG LEU A 14 -3.988 -4.522 -3.246 1.00 0.00 C ATOM 160 CD1 LEU A 14 -2.872 -5.549 -3.445 1.00 0.00 C ATOM 161 CD2 LEU A 14 -3.669 -3.539 -2.117 1.00 0.00 C ATOM 0 H LEU A 14 -6.641 -4.527 -4.573 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.338 -2.230 -3.585 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.487 -4.518 -5.327 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.394 -3.235 -4.849 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.882 -5.072 -2.951 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.678 -6.062 -2.503 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.176 -6.276 -4.198 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.966 -5.042 -3.776 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.459 -4.092 -1.202 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.798 -2.943 -2.389 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.523 -2.881 -1.955 1.00 0.00 H new ATOM 173 N LEU A 15 -5.804 -2.281 -6.837 1.00 0.00 N ATOM 174 CA LEU A 15 -5.846 -1.437 -8.019 1.00 0.00 C ATOM 175 C LEU A 15 -6.806 -0.271 -7.773 1.00 0.00 C ATOM 176 O LEU A 15 -6.533 0.858 -8.179 1.00 0.00 O ATOM 177 CB LEU A 15 -6.190 -2.266 -9.258 1.00 0.00 C ATOM 178 CG LEU A 15 -5.189 -3.362 -9.630 1.00 0.00 C ATOM 179 CD1 LEU A 15 -5.885 -4.718 -9.764 1.00 0.00 C ATOM 180 CD2 LEU A 15 -4.413 -2.989 -10.895 1.00 0.00 C ATOM 0 H LEU A 15 -6.057 -3.256 -7.000 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.864 -1.007 -8.215 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.164 -2.729 -9.102 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.291 -1.590 -10.107 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.464 -3.451 -8.821 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.151 -5.479 -10.029 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.355 -4.981 -8.816 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.646 -4.661 -10.542 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.708 -3.785 -11.138 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.109 -2.856 -11.723 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.868 -2.060 -10.727 1.00 0.00 H new ATOM 192 N ARG A 16 -7.910 -0.584 -7.111 1.00 0.00 N ATOM 193 CA ARG A 16 -8.911 0.424 -6.807 1.00 0.00 C ATOM 194 C ARG A 16 -8.306 1.528 -5.938 1.00 0.00 C ATOM 195 O ARG A 16 -8.635 2.702 -6.102 1.00 0.00 O ATOM 196 CB ARG A 16 -10.108 -0.192 -6.078 1.00 0.00 C ATOM 197 CG ARG A 16 -11.189 -0.626 -7.070 1.00 0.00 C ATOM 198 CD ARG A 16 -12.584 -0.484 -6.457 1.00 0.00 C ATOM 199 NE ARG A 16 -13.423 0.392 -7.305 1.00 0.00 N ATOM 200 CZ ARG A 16 -13.424 1.730 -7.232 1.00 0.00 C ATOM 201 NH1 ARG A 16 -12.631 2.354 -6.351 1.00 0.00 N ATOM 202 NH2 ARG A 16 -14.219 2.444 -8.042 1.00 0.00 N ATOM 0 H ARG A 16 -8.133 -1.521 -6.777 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.253 0.848 -7.751 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -9.780 -1.051 -5.493 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.523 0.531 -5.376 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -11.122 -0.021 -7.974 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -11.022 -1.662 -7.366 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -13.049 -1.465 -6.361 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -12.508 -0.067 -5.453 1.00 0.00 H new ATOM 0 HE ARG A 16 -14.039 -0.050 -7.987 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -12.026 1.811 -5.735 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -12.632 3.373 -6.296 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -14.822 1.969 -8.713 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -14.220 3.463 -7.987 1.00 0.00 H new ATOM 216 N ILE A 17 -7.433 1.113 -5.032 1.00 0.00 N ATOM 217 CA ILE A 17 -6.779 2.052 -4.136 1.00 0.00 C ATOM 218 C ILE A 17 -5.835 2.945 -4.943 1.00 0.00 C ATOM 219 O ILE A 17 -5.959 4.169 -4.918 1.00 0.00 O ATOM 220 CB ILE A 17 -6.093 1.309 -2.989 1.00 0.00 C ATOM 221 CG1 ILE A 17 -7.108 0.884 -1.925 1.00 0.00 C ATOM 222 CG2 ILE A 17 -4.958 2.145 -2.395 1.00 0.00 C ATOM 223 CD1 ILE A 17 -6.672 -0.411 -1.237 1.00 0.00 C ATOM 0 H ILE A 17 -7.163 0.138 -4.899 1.00 0.00 H new ATOM 0 HA ILE A 17 -7.514 2.706 -3.666 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.647 0.399 -3.391 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -7.216 1.675 -1.183 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.086 0.744 -2.386 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.487 1.593 -1.581 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.218 2.355 -3.167 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.359 3.084 -2.013 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -7.411 -0.690 -0.486 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.589 -1.206 -1.978 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.705 -0.260 -0.757 1.00 0.00 H new ATOM 235 N ALA A 18 -4.911 2.299 -5.639 1.00 0.00 N ATOM 236 CA ALA A 18 -3.945 3.019 -6.451 1.00 0.00 C ATOM 237 C ALA A 18 -4.677 4.061 -7.301 1.00 0.00 C ATOM 238 O ALA A 18 -4.255 5.214 -7.374 1.00 0.00 O ATOM 239 CB ALA A 18 -3.151 2.026 -7.302 1.00 0.00 C ATOM 0 H ALA A 18 -4.811 1.284 -5.657 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.232 3.549 -5.820 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.426 2.567 -7.911 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.627 1.326 -6.651 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.833 1.477 -7.951 1.00 0.00 H new ATOM 245 N LYS A 19 -5.760 3.616 -7.922 1.00 0.00 N ATOM 246 CA LYS A 19 -6.553 4.496 -8.763 1.00 0.00 C ATOM 247 C LYS A 19 -7.210 5.570 -7.895 1.00 0.00 C ATOM 248 O LYS A 19 -7.443 6.687 -8.353 1.00 0.00 O ATOM 249 CB LYS A 19 -7.548 3.685 -9.597 1.00 0.00 C ATOM 250 CG LYS A 19 -8.988 3.991 -9.181 1.00 0.00 C ATOM 251 CD LYS A 19 -9.985 3.402 -10.181 1.00 0.00 C ATOM 252 CE LYS A 19 -10.607 2.112 -9.641 1.00 0.00 C ATOM 253 NZ LYS A 19 -9.923 0.929 -10.210 1.00 0.00 N ATOM 0 H LYS A 19 -6.106 2.659 -7.859 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.916 5.013 -9.481 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.414 3.915 -10.654 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.348 2.620 -9.474 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.178 3.582 -8.189 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.129 5.070 -9.114 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -10.770 4.129 -10.388 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.481 3.199 -11.126 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.534 2.094 -8.554 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -11.668 2.081 -9.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.458 0.070 -9.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.866 1.025 -11.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.963 0.860 -9.815 1.00 0.00 H new ATOM 267 N LYS A 20 -7.490 5.194 -6.655 1.00 0.00 N ATOM 268 CA LYS A 20 -8.116 6.112 -5.718 1.00 0.00 C ATOM 269 C LYS A 20 -7.067 7.097 -5.199 1.00 0.00 C ATOM 270 O LYS A 20 -7.407 8.189 -4.745 1.00 0.00 O ATOM 271 CB LYS A 20 -8.835 5.339 -4.611 1.00 0.00 C ATOM 272 CG LYS A 20 -10.312 5.138 -4.953 1.00 0.00 C ATOM 273 CD LYS A 20 -11.180 5.194 -3.694 1.00 0.00 C ATOM 274 CE LYS A 20 -11.380 6.638 -3.231 1.00 0.00 C ATOM 275 NZ LYS A 20 -12.793 7.046 -3.402 1.00 0.00 N ATOM 0 H LYS A 20 -7.295 4.267 -6.278 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.887 6.700 -6.217 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.356 4.370 -4.469 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.747 5.880 -3.669 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.634 5.907 -5.655 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.446 4.177 -5.449 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -12.148 4.735 -3.895 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.711 4.615 -2.899 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -11.092 6.734 -2.184 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.732 7.302 -3.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.912 8.029 -3.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.056 6.974 -4.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -13.405 6.423 -2.838 1.00 0.00 H new ATOM 289 N LEU A 21 -5.813 6.677 -5.284 1.00 0.00 N ATOM 290 CA LEU A 21 -4.713 7.509 -4.829 1.00 0.00 C ATOM 291 C LEU A 21 -4.178 8.329 -6.005 1.00 0.00 C ATOM 292 O LEU A 21 -4.227 9.558 -5.983 1.00 0.00 O ATOM 293 CB LEU A 21 -3.646 6.657 -4.138 1.00 0.00 C ATOM 294 CG LEU A 21 -4.062 6.001 -2.820 1.00 0.00 C ATOM 295 CD1 LEU A 21 -2.987 5.032 -2.326 1.00 0.00 C ATOM 296 CD2 LEU A 21 -4.408 7.057 -1.768 1.00 0.00 C ATOM 0 H LEU A 21 -5.535 5.771 -5.661 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.059 8.218 -4.077 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.332 5.874 -4.828 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.774 7.284 -3.950 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.964 5.416 -3.000 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.308 4.580 -1.388 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.831 4.251 -3.070 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.054 5.573 -2.167 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.700 6.565 -0.841 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.538 7.687 -1.585 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.233 7.672 -2.128 1.00 0.00 H new ATOM 308 N GLU A 22 -3.679 7.616 -7.004 1.00 0.00 N ATOM 309 CA GLU A 22 -3.136 8.261 -8.187 1.00 0.00 C ATOM 310 C GLU A 22 -3.968 9.493 -8.549 1.00 0.00 C ATOM 311 O GLU A 22 -3.419 10.554 -8.841 1.00 0.00 O ATOM 312 CB GLU A 22 -3.064 7.283 -9.361 1.00 0.00 C ATOM 313 CG GLU A 22 -2.094 6.138 -9.062 1.00 0.00 C ATOM 314 CD GLU A 22 -0.643 6.587 -9.245 1.00 0.00 C ATOM 315 OE1 GLU A 22 -0.204 7.433 -8.436 1.00 0.00 O ATOM 316 OE2 GLU A 22 -0.005 6.074 -10.189 1.00 0.00 O ATOM 0 H GLU A 22 -3.639 6.597 -7.018 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.119 8.586 -7.965 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.056 6.880 -9.565 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.744 7.811 -10.259 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.244 5.787 -8.041 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.304 5.297 -9.722 1.00 0.00 H new ATOM 323 N LYS A 23 -5.280 9.311 -8.518 1.00 0.00 N ATOM 324 CA LYS A 23 -6.194 10.394 -8.839 1.00 0.00 C ATOM 325 C LYS A 23 -5.878 11.601 -7.955 1.00 0.00 C ATOM 326 O LYS A 23 -5.646 12.700 -8.457 1.00 0.00 O ATOM 327 CB LYS A 23 -7.645 9.919 -8.736 1.00 0.00 C ATOM 328 CG LYS A 23 -8.035 9.660 -7.279 1.00 0.00 C ATOM 329 CD LYS A 23 -9.408 8.991 -7.189 1.00 0.00 C ATOM 330 CE LYS A 23 -10.527 9.996 -7.469 1.00 0.00 C ATOM 331 NZ LYS A 23 -11.235 10.346 -6.218 1.00 0.00 N ATOM 0 H LYS A 23 -5.732 8.429 -8.275 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.060 10.712 -9.873 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.308 10.669 -9.166 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.775 9.007 -9.319 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.286 9.025 -6.806 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.049 10.601 -6.730 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.464 8.170 -7.904 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.542 8.559 -6.197 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.111 10.896 -7.922 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -11.231 9.575 -8.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.991 11.029 -6.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.649 9.488 -5.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.563 10.768 -5.545 1.00 0.00 H new ATOM 345 N MET A 24 -5.879 11.357 -6.652 1.00 0.00 N ATOM 346 CA MET A 24 -5.595 12.411 -5.693 1.00 0.00 C ATOM 347 C MET A 24 -4.337 13.188 -6.089 1.00 0.00 C ATOM 348 O MET A 24 -4.354 14.417 -6.145 1.00 0.00 O ATOM 349 CB MET A 24 -5.401 11.799 -4.304 1.00 0.00 C ATOM 350 CG MET A 24 -6.659 11.053 -3.854 1.00 0.00 C ATOM 351 SD MET A 24 -7.098 11.543 -2.195 1.00 0.00 S ATOM 352 CE MET A 24 -7.107 9.949 -1.393 1.00 0.00 C ATOM 0 H MET A 24 -6.072 10.445 -6.238 1.00 0.00 H new ATOM 0 HA MET A 24 -6.438 13.102 -5.681 1.00 0.00 H new ATOM 0 HB2 MET A 24 -4.553 11.114 -4.320 1.00 0.00 H new ATOM 0 HB3 MET A 24 -5.163 12.584 -3.586 1.00 0.00 H new ATOM 0 HG2 MET A 24 -7.482 11.268 -4.535 1.00 0.00 H new ATOM 0 HG3 MET A 24 -6.487 9.977 -3.891 1.00 0.00 H new ATOM 0 HE1 MET A 24 -8.071 9.791 -0.909 1.00 0.00 H new ATOM 0 HE2 MET A 24 -6.941 9.168 -2.135 1.00 0.00 H new ATOM 0 HE3 MET A 24 -6.315 9.914 -0.645 1.00 0.00 H new ATOM 362 N VAL A 25 -3.277 12.440 -6.353 1.00 0.00 N ATOM 363 CA VAL A 25 -2.013 13.043 -6.741 1.00 0.00 C ATOM 364 C VAL A 25 -2.234 13.938 -7.962 1.00 0.00 C ATOM 365 O VAL A 25 -1.753 15.069 -8.003 1.00 0.00 O ATOM 366 CB VAL A 25 -0.965 11.954 -6.980 1.00 0.00 C ATOM 367 CG1 VAL A 25 0.428 12.562 -7.151 1.00 0.00 C ATOM 368 CG2 VAL A 25 -0.979 10.922 -5.851 1.00 0.00 C ATOM 0 H VAL A 25 -3.267 11.421 -6.306 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.629 13.674 -5.940 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.221 11.440 -7.906 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.154 11.767 -7.319 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.427 13.239 -8.005 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.697 13.114 -6.250 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.225 10.159 -6.046 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.760 11.416 -4.904 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.962 10.455 -5.798 1.00 0.00 H new ATOM 378 N SER A 26 -2.963 13.397 -8.928 1.00 0.00 N ATOM 379 CA SER A 26 -3.253 14.133 -10.147 1.00 0.00 C ATOM 380 C SER A 26 -4.080 15.378 -9.822 1.00 0.00 C ATOM 381 O SER A 26 -3.761 16.476 -10.276 1.00 0.00 O ATOM 382 CB SER A 26 -3.992 13.254 -11.158 1.00 0.00 C ATOM 383 OG SER A 26 -3.286 13.149 -12.391 1.00 0.00 O ATOM 0 H SER A 26 -3.361 12.459 -8.891 1.00 0.00 H new ATOM 0 HA SER A 26 -2.308 14.439 -10.595 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.135 12.259 -10.737 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.983 13.668 -11.342 1.00 0.00 H new ATOM 0 HG SER A 26 -3.789 12.579 -13.009 1.00 0.00 H new ATOM 389 N ARG A 27 -5.128 15.166 -9.039 1.00 0.00 N ATOM 390 CA ARG A 27 -6.003 16.258 -8.648 1.00 0.00 C ATOM 391 C ARG A 27 -5.349 17.094 -7.546 1.00 0.00 C ATOM 392 O ARG A 27 -5.934 18.065 -7.068 1.00 0.00 O ATOM 393 CB ARG A 27 -7.350 15.732 -8.147 1.00 0.00 C ATOM 394 CG ARG A 27 -8.087 14.973 -9.252 1.00 0.00 C ATOM 395 CD ARG A 27 -9.415 14.412 -8.741 1.00 0.00 C ATOM 396 NE ARG A 27 -9.863 13.300 -9.608 1.00 0.00 N ATOM 397 CZ ARG A 27 -10.412 13.465 -10.819 1.00 0.00 C ATOM 398 NH1 ARG A 27 -10.585 14.699 -11.313 1.00 0.00 N ATOM 399 NH2 ARG A 27 -10.789 12.398 -11.536 1.00 0.00 N ATOM 0 H ARG A 27 -5.391 14.254 -8.665 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.172 16.879 -9.528 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -7.193 15.075 -7.292 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -7.963 16.564 -7.801 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.270 15.639 -10.095 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -7.461 14.159 -9.618 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -9.300 14.061 -7.716 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -10.169 15.199 -8.726 1.00 0.00 H new ATOM 0 HE ARG A 27 -9.747 12.348 -9.262 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -10.299 15.512 -10.767 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -11.003 14.825 -12.235 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -10.658 11.459 -11.160 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -11.207 12.525 -12.458 1.00 0.00 H new ATOM 413 N LYS A 28 -4.144 16.687 -7.175 1.00 0.00 N ATOM 414 CA LYS A 28 -3.404 17.387 -6.138 1.00 0.00 C ATOM 415 C LYS A 28 -4.362 17.787 -5.015 1.00 0.00 C ATOM 416 O LYS A 28 -4.592 18.973 -4.783 1.00 0.00 O ATOM 417 CB LYS A 28 -2.630 18.565 -6.735 1.00 0.00 C ATOM 418 CG LYS A 28 -1.233 18.671 -6.119 1.00 0.00 C ATOM 419 CD LYS A 28 -0.208 19.122 -7.161 1.00 0.00 C ATOM 420 CE LYS A 28 0.297 20.534 -6.857 1.00 0.00 C ATOM 421 NZ LYS A 28 -0.696 21.543 -7.288 1.00 0.00 N ATOM 0 H LYS A 28 -3.661 15.882 -7.574 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.653 16.731 -5.698 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.547 18.441 -7.815 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.179 19.491 -6.562 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.250 19.379 -5.290 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.939 17.705 -5.708 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.631 18.427 -7.175 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.658 19.099 -8.153 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.488 20.636 -5.789 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.244 20.706 -7.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.338 22.496 -7.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.858 21.455 -8.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.591 21.388 -6.781 1.00 0.00 H new ATOM 435 N LYS A 29 -4.896 16.774 -4.347 1.00 0.00 N ATOM 436 CA LYS A 29 -5.824 17.005 -3.254 1.00 0.00 C ATOM 437 C LYS A 29 -5.366 16.215 -2.026 1.00 0.00 C ATOM 438 O LYS A 29 -5.150 16.789 -0.960 1.00 0.00 O ATOM 439 CB LYS A 29 -7.256 16.688 -3.690 1.00 0.00 C ATOM 440 CG LYS A 29 -7.951 17.936 -4.238 1.00 0.00 C ATOM 441 CD LYS A 29 -9.349 18.093 -3.637 1.00 0.00 C ATOM 442 CE LYS A 29 -10.387 18.369 -4.727 1.00 0.00 C ATOM 443 NZ LYS A 29 -11.173 19.580 -4.400 1.00 0.00 N ATOM 0 H LYS A 29 -4.703 15.792 -4.542 1.00 0.00 H new ATOM 0 HA LYS A 29 -5.827 18.058 -2.973 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.244 15.910 -4.453 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.819 16.296 -2.843 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.353 18.819 -4.012 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.023 17.869 -5.324 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.619 17.187 -3.094 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.349 18.910 -2.915 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.888 18.500 -5.687 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.053 17.512 -4.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.873 19.753 -5.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.664 19.441 -3.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.535 20.398 -4.326 1.00 0.00 H new ATOM 457 N THR A 30 -5.232 14.911 -2.217 1.00 0.00 N ATOM 458 CA THR A 30 -4.804 14.037 -1.139 1.00 0.00 C ATOM 459 C THR A 30 -5.474 14.443 0.175 1.00 0.00 C ATOM 460 O THR A 30 -4.796 14.800 1.137 1.00 0.00 O ATOM 461 CB THR A 30 -3.276 14.074 -1.079 1.00 0.00 C ATOM 462 OG1 THR A 30 -2.968 15.455 -0.909 1.00 0.00 O ATOM 463 CG2 THR A 30 -2.628 13.710 -2.416 1.00 0.00 C ATOM 0 H THR A 30 -5.412 14.439 -3.103 1.00 0.00 H new ATOM 0 HA THR A 30 -5.112 13.007 -1.319 1.00 0.00 H new ATOM 0 HB THR A 30 -2.927 13.387 -0.308 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.567 15.843 -0.237 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.543 13.752 -2.318 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.928 12.702 -2.703 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.951 14.416 -3.181 1.00 0.00 H new ATOM 471 N GLU A 31 -6.797 14.376 0.173 1.00 0.00 N ATOM 472 CA GLU A 31 -7.566 14.732 1.353 1.00 0.00 C ATOM 473 C GLU A 31 -8.230 13.490 1.950 1.00 0.00 C ATOM 474 O GLU A 31 -9.391 13.535 2.353 1.00 0.00 O ATOM 475 CB GLU A 31 -8.606 15.806 1.027 1.00 0.00 C ATOM 476 CG GLU A 31 -7.978 17.201 1.045 1.00 0.00 C ATOM 477 CD GLU A 31 -8.009 17.797 2.454 1.00 0.00 C ATOM 478 OE1 GLU A 31 -7.024 17.567 3.189 1.00 0.00 O ATOM 479 OE2 GLU A 31 -9.016 18.470 2.764 1.00 0.00 O ATOM 0 H GLU A 31 -7.356 14.080 -0.627 1.00 0.00 H new ATOM 0 HA GLU A 31 -6.883 15.147 2.095 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.040 15.611 0.046 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.420 15.760 1.750 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.948 17.145 0.692 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.515 17.855 0.358 1.00 0.00 H new ATOM 486 N GLY A 32 -7.464 12.409 1.987 1.00 0.00 N ATOM 487 CA GLY A 32 -7.963 11.156 2.528 1.00 0.00 C ATOM 488 C GLY A 32 -7.278 9.960 1.864 1.00 0.00 C ATOM 489 O GLY A 32 -7.939 9.118 1.259 1.00 0.00 O ATOM 0 H GLY A 32 -6.502 12.375 1.651 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.791 11.126 3.604 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.040 11.093 2.375 1.00 0.00 H new ATOM 493 N ALA A 33 -5.960 9.924 1.999 1.00 0.00 N ATOM 494 CA ALA A 33 -5.178 8.846 1.420 1.00 0.00 C ATOM 495 C ALA A 33 -4.788 7.856 2.520 1.00 0.00 C ATOM 496 O ALA A 33 -4.371 6.736 2.232 1.00 0.00 O ATOM 497 CB ALA A 33 -3.959 9.428 0.701 1.00 0.00 C ATOM 0 H ALA A 33 -5.415 10.625 2.501 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.764 8.302 0.680 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.372 8.619 0.267 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.290 10.101 -0.090 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -3.345 9.979 1.413 1.00 0.00 H new ATOM 503 N LEU A 34 -4.938 8.307 3.757 1.00 0.00 N ATOM 504 CA LEU A 34 -4.607 7.475 4.901 1.00 0.00 C ATOM 505 C LEU A 34 -5.409 6.174 4.829 1.00 0.00 C ATOM 506 O LEU A 34 -4.837 5.095 4.684 1.00 0.00 O ATOM 507 CB LEU A 34 -4.809 8.251 6.204 1.00 0.00 C ATOM 508 CG LEU A 34 -4.245 7.598 7.468 1.00 0.00 C ATOM 509 CD1 LEU A 34 -2.716 7.588 7.444 1.00 0.00 C ATOM 510 CD2 LEU A 34 -4.794 8.274 8.726 1.00 0.00 C ATOM 0 H LEU A 34 -5.284 9.237 3.992 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.552 7.201 4.881 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.353 9.235 6.092 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.878 8.410 6.347 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.573 6.559 7.491 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.341 7.119 8.353 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.369 7.027 6.576 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.346 8.612 7.385 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.377 7.791 9.610 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.516 9.328 8.724 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.880 8.185 8.742 1.00 0.00 H new ATOM 522 N ASP A 35 -6.722 6.319 4.936 1.00 0.00 N ATOM 523 CA ASP A 35 -7.609 5.169 4.885 1.00 0.00 C ATOM 524 C ASP A 35 -7.124 4.204 3.801 1.00 0.00 C ATOM 525 O ASP A 35 -7.010 3.003 4.041 1.00 0.00 O ATOM 526 CB ASP A 35 -9.038 5.591 4.537 1.00 0.00 C ATOM 527 CG ASP A 35 -10.061 5.395 5.658 1.00 0.00 C ATOM 528 OD1 ASP A 35 -9.639 4.916 6.733 1.00 0.00 O ATOM 529 OD2 ASP A 35 -11.241 5.727 5.414 1.00 0.00 O ATOM 0 H ASP A 35 -7.193 7.216 5.058 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.602 4.694 5.866 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -9.031 6.643 4.252 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.365 5.026 3.664 1.00 0.00 H new ATOM 534 N LEU A 36 -6.850 4.765 2.633 1.00 0.00 N ATOM 535 CA LEU A 36 -6.380 3.970 1.512 1.00 0.00 C ATOM 536 C LEU A 36 -5.050 3.310 1.883 1.00 0.00 C ATOM 537 O LEU A 36 -4.887 2.101 1.726 1.00 0.00 O ATOM 538 CB LEU A 36 -6.311 4.820 0.242 1.00 0.00 C ATOM 539 CG LEU A 36 -7.653 5.293 -0.322 1.00 0.00 C ATOM 540 CD1 LEU A 36 -7.466 6.501 -1.242 1.00 0.00 C ATOM 541 CD2 LEU A 36 -8.387 4.147 -1.021 1.00 0.00 C ATOM 0 H LEU A 36 -6.945 5.762 2.439 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.085 3.168 1.292 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.697 5.697 0.448 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.798 4.245 -0.529 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.279 5.617 0.510 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -8.435 6.817 -1.629 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.015 7.319 -0.681 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.815 6.228 -2.072 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -9.337 4.509 -1.413 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.776 3.770 -1.841 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.571 3.344 -0.307 1.00 0.00 H new ATOM 553 N LEU A 37 -4.132 4.134 2.368 1.00 0.00 N ATOM 554 CA LEU A 37 -2.822 3.646 2.762 1.00 0.00 C ATOM 555 C LEU A 37 -2.986 2.560 3.828 1.00 0.00 C ATOM 556 O LEU A 37 -2.241 1.581 3.841 1.00 0.00 O ATOM 557 CB LEU A 37 -1.927 4.807 3.201 1.00 0.00 C ATOM 558 CG LEU A 37 -1.636 5.868 2.137 1.00 0.00 C ATOM 559 CD1 LEU A 37 -1.519 7.257 2.767 1.00 0.00 C ATOM 560 CD2 LEU A 37 -0.394 5.502 1.322 1.00 0.00 C ATOM 0 H LEU A 37 -4.270 5.136 2.497 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.316 3.187 1.913 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.394 5.296 4.056 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.978 4.398 3.547 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.477 5.897 1.445 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.312 7.993 1.990 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.454 7.510 3.266 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.707 7.259 3.494 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.210 6.273 0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.468 5.428 1.985 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.554 4.545 0.826 1.00 0.00 H new ATOM 572 N LYS A 38 -3.966 2.770 4.695 1.00 0.00 N ATOM 573 CA LYS A 38 -4.237 1.821 5.761 1.00 0.00 C ATOM 574 C LYS A 38 -4.509 0.443 5.155 1.00 0.00 C ATOM 575 O LYS A 38 -3.740 -0.494 5.364 1.00 0.00 O ATOM 576 CB LYS A 38 -5.366 2.332 6.658 1.00 0.00 C ATOM 577 CG LYS A 38 -4.835 3.317 7.702 1.00 0.00 C ATOM 578 CD LYS A 38 -5.717 3.320 8.952 1.00 0.00 C ATOM 579 CE LYS A 38 -5.664 4.677 9.657 1.00 0.00 C ATOM 580 NZ LYS A 38 -7.027 5.131 10.010 1.00 0.00 N ATOM 0 H LYS A 38 -4.582 3.583 4.681 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.367 1.718 6.410 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.128 2.818 6.048 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.847 1.491 7.158 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.814 3.049 7.974 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.799 4.320 7.276 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.746 3.090 8.676 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.388 2.538 9.636 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.055 4.602 10.558 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.186 5.412 9.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.973 6.053 10.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.597 5.222 9.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.470 4.437 10.646 1.00 0.00 H new ATOM 594 N LYS A 39 -5.605 0.363 4.415 1.00 0.00 N ATOM 595 CA LYS A 39 -5.988 -0.885 3.777 1.00 0.00 C ATOM 596 C LYS A 39 -4.742 -1.563 3.205 1.00 0.00 C ATOM 597 O LYS A 39 -4.468 -2.723 3.508 1.00 0.00 O ATOM 598 CB LYS A 39 -7.087 -0.642 2.741 1.00 0.00 C ATOM 599 CG LYS A 39 -8.470 -0.654 3.395 1.00 0.00 C ATOM 600 CD LYS A 39 -9.116 0.732 3.339 1.00 0.00 C ATOM 601 CE LYS A 39 -10.641 0.630 3.412 1.00 0.00 C ATOM 602 NZ LYS A 39 -11.073 0.320 4.794 1.00 0.00 N ATOM 0 H LYS A 39 -6.240 1.142 4.243 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.417 -1.571 4.508 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.922 0.316 2.249 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.040 -1.410 1.968 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -9.109 -1.378 2.889 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.383 -0.977 4.432 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.749 1.342 4.165 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.825 1.236 2.417 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -11.090 1.568 3.086 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.993 -0.146 2.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.110 0.254 4.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.659 -0.586 5.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.754 1.074 5.435 1.00 0.00 H new ATOM 616 N LEU A 40 -4.021 -0.811 2.386 1.00 0.00 N ATOM 617 CA LEU A 40 -2.811 -1.325 1.768 1.00 0.00 C ATOM 618 C LEU A 40 -2.024 -2.139 2.798 1.00 0.00 C ATOM 619 O LEU A 40 -1.768 -3.324 2.592 1.00 0.00 O ATOM 620 CB LEU A 40 -2.005 -0.186 1.139 1.00 0.00 C ATOM 621 CG LEU A 40 -2.513 0.329 -0.209 1.00 0.00 C ATOM 622 CD1 LEU A 40 -1.618 1.451 -0.739 1.00 0.00 C ATOM 623 CD2 LEU A 40 -2.655 -0.815 -1.215 1.00 0.00 C ATOM 0 H LEU A 40 -4.252 0.151 2.136 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.059 -2.000 0.949 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.984 0.648 1.840 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.976 -0.522 1.013 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.507 0.752 -0.061 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.001 1.799 -1.698 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.612 2.278 -0.029 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.603 1.076 -0.868 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.018 -0.422 -2.165 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.685 -1.290 -1.365 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.363 -1.550 -0.833 1.00 0.00 H new ATOM 635 N ASN A 41 -1.664 -1.471 3.883 1.00 0.00 N ATOM 636 CA ASN A 41 -0.911 -2.118 4.945 1.00 0.00 C ATOM 637 C ASN A 41 -1.565 -3.459 5.283 1.00 0.00 C ATOM 638 O ASN A 41 -0.930 -4.507 5.177 1.00 0.00 O ATOM 639 CB ASN A 41 -0.903 -1.263 6.214 1.00 0.00 C ATOM 640 CG ASN A 41 0.087 -1.815 7.241 1.00 0.00 C ATOM 641 OD1 ASN A 41 0.334 -3.007 7.325 1.00 0.00 O ATOM 642 ND2 ASN A 41 0.639 -0.885 8.015 1.00 0.00 N ATOM 0 H ASN A 41 -1.879 -0.488 4.051 1.00 0.00 H new ATOM 0 HA ASN A 41 0.113 -2.256 4.597 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -0.637 -0.236 5.963 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -1.904 -1.237 6.646 1.00 0.00 H new ATOM 0 HD21 ASN A 41 1.314 -1.153 8.732 1.00 0.00 H new ATOM 0 HD22 ASN A 41 0.388 0.096 7.892 1.00 0.00 H new ATOM 649 N SER A 42 -2.826 -3.383 5.682 1.00 0.00 N ATOM 650 CA SER A 42 -3.573 -4.578 6.036 1.00 0.00 C ATOM 651 C SER A 42 -3.510 -5.592 4.891 1.00 0.00 C ATOM 652 O SER A 42 -2.981 -6.689 5.058 1.00 0.00 O ATOM 653 CB SER A 42 -5.028 -4.241 6.367 1.00 0.00 C ATOM 654 OG SER A 42 -5.574 -5.130 7.337 1.00 0.00 O ATOM 0 H SER A 42 -3.350 -2.512 5.768 1.00 0.00 H new ATOM 0 HA SER A 42 -3.119 -5.014 6.926 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.088 -3.218 6.738 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.626 -4.285 5.457 1.00 0.00 H new ATOM 0 HG SER A 42 -6.503 -4.881 7.523 1.00 0.00 H new ATOM 660 N CYS A 43 -4.059 -5.188 3.755 1.00 0.00 N ATOM 661 CA CYS A 43 -4.072 -6.048 2.584 1.00 0.00 C ATOM 662 C CYS A 43 -2.697 -6.706 2.455 1.00 0.00 C ATOM 663 O CYS A 43 -1.671 -6.038 2.576 1.00 0.00 O ATOM 664 CB CYS A 43 -4.455 -5.276 1.320 1.00 0.00 C ATOM 665 SG CYS A 43 -6.217 -4.786 1.395 1.00 0.00 S ATOM 0 H CYS A 43 -4.498 -4.277 3.621 1.00 0.00 H new ATOM 0 HA CYS A 43 -4.833 -6.819 2.705 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.827 -4.391 1.220 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -4.278 -5.893 0.439 1.00 0.00 H new ATOM 0 HG CYS A 43 -6.807 -5.118 0.285 1.00 0.00 H new ATOM 671 N GLN A 44 -2.720 -8.008 2.212 1.00 0.00 N ATOM 672 CA GLN A 44 -1.488 -8.765 2.066 1.00 0.00 C ATOM 673 C GLN A 44 -0.814 -8.429 0.734 1.00 0.00 C ATOM 674 O GLN A 44 -0.959 -9.164 -0.242 1.00 0.00 O ATOM 675 CB GLN A 44 -1.750 -10.267 2.184 1.00 0.00 C ATOM 676 CG GLN A 44 -1.301 -10.796 3.548 1.00 0.00 C ATOM 677 CD GLN A 44 -1.398 -12.322 3.603 1.00 0.00 C ATOM 678 OE1 GLN A 44 -0.419 -13.038 3.465 1.00 0.00 O ATOM 679 NE2 GLN A 44 -2.629 -12.779 3.814 1.00 0.00 N ATOM 0 H GLN A 44 -3.573 -8.559 2.112 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.813 -8.483 2.874 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.812 -10.467 2.044 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.219 -10.796 1.392 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.274 -10.486 3.742 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.919 -10.360 4.333 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -3.404 -12.125 3.921 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.798 -13.783 3.869 1.00 0.00 H new ATOM 688 N MET A 45 -0.092 -7.318 0.737 1.00 0.00 N ATOM 689 CA MET A 45 0.605 -6.876 -0.459 1.00 0.00 C ATOM 690 C MET A 45 1.808 -7.774 -0.756 1.00 0.00 C ATOM 691 O MET A 45 2.445 -8.288 0.162 1.00 0.00 O ATOM 692 CB MET A 45 1.078 -5.433 -0.271 1.00 0.00 C ATOM 693 CG MET A 45 1.923 -4.973 -1.461 1.00 0.00 C ATOM 694 SD MET A 45 0.881 -4.721 -2.888 1.00 0.00 S ATOM 695 CE MET A 45 -0.346 -3.631 -2.187 1.00 0.00 C ATOM 0 H MET A 45 0.025 -6.711 1.548 1.00 0.00 H new ATOM 0 HA MET A 45 -0.085 -6.934 -1.301 1.00 0.00 H new ATOM 0 HB2 MET A 45 0.216 -4.776 -0.157 1.00 0.00 H new ATOM 0 HB3 MET A 45 1.662 -5.355 0.646 1.00 0.00 H new ATOM 0 HG2 MET A 45 2.443 -4.048 -1.212 1.00 0.00 H new ATOM 0 HG3 MET A 45 2.687 -5.718 -1.685 1.00 0.00 H new ATOM 0 HE1 MET A 45 -0.845 -3.083 -2.986 1.00 0.00 H new ATOM 0 HE2 MET A 45 -1.081 -4.217 -1.635 1.00 0.00 H new ATOM 0 HE3 MET A 45 0.137 -2.926 -1.511 1.00 0.00 H new ATOM 705 N SER A 46 2.083 -7.934 -2.042 1.00 0.00 N ATOM 706 CA SER A 46 3.199 -8.760 -2.472 1.00 0.00 C ATOM 707 C SER A 46 3.947 -8.075 -3.617 1.00 0.00 C ATOM 708 O SER A 46 3.601 -6.963 -4.012 1.00 0.00 O ATOM 709 CB SER A 46 2.721 -10.148 -2.905 1.00 0.00 C ATOM 710 OG SER A 46 1.476 -10.495 -2.306 1.00 0.00 O ATOM 0 H SER A 46 1.552 -7.506 -2.801 1.00 0.00 H new ATOM 0 HA SER A 46 3.877 -8.885 -1.628 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.621 -10.175 -3.990 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.472 -10.890 -2.636 1.00 0.00 H new ATOM 0 HG SER A 46 1.205 -11.387 -2.609 1.00 0.00 H new ATOM 716 N ILE A 47 4.959 -8.768 -4.119 1.00 0.00 N ATOM 717 CA ILE A 47 5.759 -8.241 -5.211 1.00 0.00 C ATOM 718 C ILE A 47 4.899 -8.158 -6.474 1.00 0.00 C ATOM 719 O ILE A 47 4.702 -7.076 -7.025 1.00 0.00 O ATOM 720 CB ILE A 47 7.034 -9.067 -5.388 1.00 0.00 C ATOM 721 CG1 ILE A 47 8.078 -8.698 -4.331 1.00 0.00 C ATOM 722 CG2 ILE A 47 7.584 -8.928 -6.809 1.00 0.00 C ATOM 723 CD1 ILE A 47 8.783 -7.389 -4.690 1.00 0.00 C ATOM 0 H ILE A 47 5.243 -9.690 -3.789 1.00 0.00 H new ATOM 0 HA ILE A 47 6.092 -7.228 -4.985 1.00 0.00 H new ATOM 0 HB ILE A 47 6.784 -10.118 -5.240 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.597 -8.601 -3.358 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.812 -9.499 -4.245 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.491 -9.525 -6.908 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.839 -9.278 -7.523 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.815 -7.882 -7.009 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.519 -7.150 -3.923 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.284 -7.497 -5.652 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.049 -6.585 -4.751 1.00 0.00 H new ATOM 735 N GLN A 48 4.410 -9.315 -6.895 1.00 0.00 N ATOM 736 CA GLN A 48 3.576 -9.387 -8.083 1.00 0.00 C ATOM 737 C GLN A 48 2.501 -8.300 -8.043 1.00 0.00 C ATOM 738 O GLN A 48 2.255 -7.628 -9.043 1.00 0.00 O ATOM 739 CB GLN A 48 2.948 -10.775 -8.228 1.00 0.00 C ATOM 740 CG GLN A 48 3.375 -11.435 -9.540 1.00 0.00 C ATOM 741 CD GLN A 48 4.696 -12.189 -9.371 1.00 0.00 C ATOM 742 OE1 GLN A 48 5.330 -12.155 -8.329 1.00 0.00 O ATOM 743 NE2 GLN A 48 5.073 -12.868 -10.450 1.00 0.00 N ATOM 0 H GLN A 48 4.575 -10.210 -6.435 1.00 0.00 H new ATOM 0 HA GLN A 48 4.205 -9.216 -8.956 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.245 -11.402 -7.388 1.00 0.00 H new ATOM 0 HB3 GLN A 48 1.862 -10.692 -8.195 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.599 -12.124 -9.874 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.482 -10.676 -10.315 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.494 -12.853 -11.290 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.941 -13.404 -10.438 1.00 0.00 H new ATOM 752 N LEU A 49 1.888 -8.160 -6.876 1.00 0.00 N ATOM 753 CA LEU A 49 0.845 -7.166 -6.693 1.00 0.00 C ATOM 754 C LEU A 49 1.458 -5.767 -6.785 1.00 0.00 C ATOM 755 O LEU A 49 0.845 -4.852 -7.334 1.00 0.00 O ATOM 756 CB LEU A 49 0.086 -7.420 -5.389 1.00 0.00 C ATOM 757 CG LEU A 49 -0.774 -8.685 -5.349 1.00 0.00 C ATOM 758 CD1 LEU A 49 -1.116 -9.070 -3.908 1.00 0.00 C ATOM 759 CD2 LEU A 49 -2.026 -8.525 -6.213 1.00 0.00 C ATOM 0 H LEU A 49 2.094 -8.719 -6.048 1.00 0.00 H new ATOM 0 HA LEU A 49 0.102 -7.242 -7.487 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.809 -7.470 -4.575 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.556 -6.562 -5.192 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.195 -9.505 -5.772 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.728 -9.972 -3.908 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.196 -9.255 -3.353 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.668 -8.257 -3.435 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.619 -9.438 -6.167 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.619 -7.688 -5.843 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.734 -8.334 -7.246 1.00 0.00 H new ATOM 771 N LEU A 50 2.659 -5.645 -6.240 1.00 0.00 N ATOM 772 CA LEU A 50 3.361 -4.373 -6.254 1.00 0.00 C ATOM 773 C LEU A 50 3.539 -3.909 -7.702 1.00 0.00 C ATOM 774 O LEU A 50 3.749 -2.724 -7.956 1.00 0.00 O ATOM 775 CB LEU A 50 4.675 -4.478 -5.477 1.00 0.00 C ATOM 776 CG LEU A 50 4.584 -4.226 -3.970 1.00 0.00 C ATOM 777 CD1 LEU A 50 5.846 -4.713 -3.256 1.00 0.00 C ATOM 778 CD2 LEU A 50 4.292 -2.753 -3.677 1.00 0.00 C ATOM 0 H LEU A 50 3.164 -6.406 -5.786 1.00 0.00 H new ATOM 0 HA LEU A 50 2.775 -3.609 -5.743 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.089 -5.474 -5.635 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.384 -3.767 -5.902 1.00 0.00 H new ATOM 0 HG LEU A 50 3.748 -4.804 -3.577 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.756 -4.522 -2.187 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.970 -5.783 -3.425 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.713 -4.182 -3.647 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.232 -2.601 -2.599 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.091 -2.135 -4.087 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.344 -2.472 -4.136 1.00 0.00 H new ATOM 790 N GLN A 51 3.448 -4.868 -8.612 1.00 0.00 N ATOM 791 CA GLN A 51 3.596 -4.573 -10.027 1.00 0.00 C ATOM 792 C GLN A 51 2.225 -4.364 -10.672 1.00 0.00 C ATOM 793 O GLN A 51 1.900 -3.259 -11.104 1.00 0.00 O ATOM 794 CB GLN A 51 4.374 -5.681 -10.740 1.00 0.00 C ATOM 795 CG GLN A 51 5.877 -5.395 -10.720 1.00 0.00 C ATOM 796 CD GLN A 51 6.570 -6.024 -11.931 1.00 0.00 C ATOM 797 OE1 GLN A 51 6.791 -5.391 -12.950 1.00 0.00 O ATOM 798 NE2 GLN A 51 6.900 -7.301 -11.762 1.00 0.00 N ATOM 0 H GLN A 51 3.274 -5.850 -8.397 1.00 0.00 H new ATOM 0 HA GLN A 51 4.168 -3.650 -10.128 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.176 -6.638 -10.257 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.030 -5.767 -11.771 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.046 -4.318 -10.718 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.314 -5.788 -9.802 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.685 -7.771 -10.883 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.368 -7.810 -12.512 1.00 0.00 H new ATOM 807 N THR A 52 1.457 -5.442 -10.716 1.00 0.00 N ATOM 808 CA THR A 52 0.127 -5.391 -11.301 1.00 0.00 C ATOM 809 C THR A 52 -0.595 -4.112 -10.871 1.00 0.00 C ATOM 810 O THR A 52 -1.008 -3.316 -11.713 1.00 0.00 O ATOM 811 CB THR A 52 -0.613 -6.670 -10.905 1.00 0.00 C ATOM 812 OG1 THR A 52 0.033 -7.088 -9.706 1.00 0.00 O ATOM 813 CG2 THR A 52 -0.363 -7.818 -11.884 1.00 0.00 C ATOM 0 H THR A 52 1.730 -6.357 -10.356 1.00 0.00 H new ATOM 0 HA THR A 52 0.174 -5.350 -12.389 1.00 0.00 H new ATOM 0 HB THR A 52 -1.683 -6.468 -10.849 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.750 -7.719 -9.924 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.911 -8.701 -11.556 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.702 -7.528 -12.879 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.703 -8.043 -11.916 1.00 0.00 H new ATOM 821 N THR A 53 -0.726 -3.956 -9.562 1.00 0.00 N ATOM 822 CA THR A 53 -1.391 -2.788 -9.011 1.00 0.00 C ATOM 823 C THR A 53 -0.492 -1.555 -9.132 1.00 0.00 C ATOM 824 O THR A 53 -0.981 -0.427 -9.166 1.00 0.00 O ATOM 825 CB THR A 53 -1.792 -3.108 -7.570 1.00 0.00 C ATOM 826 OG1 THR A 53 -0.575 -2.998 -6.838 1.00 0.00 O ATOM 827 CG2 THR A 53 -2.205 -4.571 -7.388 1.00 0.00 C ATOM 0 H THR A 53 -0.383 -4.619 -8.867 1.00 0.00 H new ATOM 0 HA THR A 53 -2.296 -2.548 -9.570 1.00 0.00 H new ATOM 0 HB THR A 53 -2.614 -2.458 -7.270 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.169 -3.885 -6.743 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.480 -4.745 -6.348 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.058 -4.791 -8.030 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.372 -5.220 -7.656 1.00 0.00 H new ATOM 835 N ARG A 54 0.806 -1.813 -9.192 1.00 0.00 N ATOM 836 CA ARG A 54 1.777 -0.739 -9.308 1.00 0.00 C ATOM 837 C ARG A 54 1.531 0.318 -8.230 1.00 0.00 C ATOM 838 O ARG A 54 1.799 1.500 -8.441 1.00 0.00 O ATOM 839 CB ARG A 54 1.706 -0.078 -10.686 1.00 0.00 C ATOM 840 CG ARG A 54 2.797 -0.620 -11.611 1.00 0.00 C ATOM 841 CD ARG A 54 2.216 -1.021 -12.969 1.00 0.00 C ATOM 842 NE ARG A 54 3.062 -0.488 -14.059 1.00 0.00 N ATOM 843 CZ ARG A 54 2.713 -0.494 -15.353 1.00 0.00 C ATOM 844 NH1 ARG A 54 1.531 -1.004 -15.725 1.00 0.00 N ATOM 845 NH2 ARG A 54 3.545 0.011 -16.274 1.00 0.00 N ATOM 0 H ARG A 54 1.208 -2.750 -9.162 1.00 0.00 H new ATOM 0 HA ARG A 54 2.768 -1.173 -9.177 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.726 -0.257 -11.129 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.816 1.001 -10.582 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.569 0.137 -11.751 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.276 -1.482 -11.148 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.156 -2.107 -13.042 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.200 -0.639 -13.066 1.00 0.00 H new ATOM 0 HE ARG A 54 3.968 -0.091 -13.810 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.897 -1.387 -15.024 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.265 -1.009 -16.710 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.444 0.400 -15.990 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.279 0.006 -17.259 1.00 0.00 H new ATOM 859 N ILE A 55 1.023 -0.145 -7.097 1.00 0.00 N ATOM 860 CA ILE A 55 0.738 0.746 -5.985 1.00 0.00 C ATOM 861 C ILE A 55 2.053 1.289 -5.422 1.00 0.00 C ATOM 862 O ILE A 55 2.055 2.260 -4.667 1.00 0.00 O ATOM 863 CB ILE A 55 -0.132 0.040 -4.943 1.00 0.00 C ATOM 864 CG1 ILE A 55 -0.651 1.032 -3.899 1.00 0.00 C ATOM 865 CG2 ILE A 55 0.619 -1.128 -4.301 1.00 0.00 C ATOM 866 CD1 ILE A 55 -1.775 1.895 -4.474 1.00 0.00 C ATOM 0 H ILE A 55 0.801 -1.126 -6.925 1.00 0.00 H new ATOM 0 HA ILE A 55 0.157 1.604 -6.323 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.002 -0.378 -5.451 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.014 0.490 -3.026 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.166 1.670 -3.561 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.022 -1.612 -3.564 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.897 -1.849 -5.070 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.519 -0.756 -3.810 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.126 2.591 -3.712 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.402 2.454 -5.332 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.600 1.256 -4.789 1.00 0.00 H new ATOM 878 N GLY A 56 3.140 0.638 -5.810 1.00 0.00 N ATOM 879 CA GLY A 56 4.458 1.044 -5.353 1.00 0.00 C ATOM 880 C GLY A 56 4.780 2.470 -5.804 1.00 0.00 C ATOM 881 O GLY A 56 5.522 3.184 -5.132 1.00 0.00 O ATOM 0 H GLY A 56 3.135 -0.168 -6.436 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.504 0.984 -4.266 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.209 0.357 -5.743 1.00 0.00 H new ATOM 885 N VAL A 57 4.205 2.842 -6.938 1.00 0.00 N ATOM 886 CA VAL A 57 4.421 4.170 -7.486 1.00 0.00 C ATOM 887 C VAL A 57 3.299 5.099 -7.017 1.00 0.00 C ATOM 888 O VAL A 57 3.462 6.319 -7.006 1.00 0.00 O ATOM 889 CB VAL A 57 4.536 4.095 -9.010 1.00 0.00 C ATOM 890 CG1 VAL A 57 3.428 3.222 -9.602 1.00 0.00 C ATOM 891 CG2 VAL A 57 4.523 5.493 -9.631 1.00 0.00 C ATOM 0 H VAL A 57 3.590 2.247 -7.492 1.00 0.00 H new ATOM 0 HA VAL A 57 5.361 4.585 -7.122 1.00 0.00 H new ATOM 0 HB VAL A 57 5.492 3.631 -9.250 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.533 3.186 -10.686 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.504 2.213 -9.196 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.456 3.644 -9.346 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.606 5.411 -10.715 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.590 5.996 -9.376 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.364 6.070 -9.246 1.00 0.00 H new ATOM 901 N ALA A 58 2.186 4.488 -6.641 1.00 0.00 N ATOM 902 CA ALA A 58 1.038 5.245 -6.172 1.00 0.00 C ATOM 903 C ALA A 58 1.368 5.877 -4.819 1.00 0.00 C ATOM 904 O ALA A 58 1.171 7.076 -4.625 1.00 0.00 O ATOM 905 CB ALA A 58 -0.186 4.329 -6.105 1.00 0.00 C ATOM 0 H ALA A 58 2.054 3.477 -6.651 1.00 0.00 H new ATOM 0 HA ALA A 58 0.802 6.053 -6.865 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.047 4.897 -5.753 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.396 3.929 -7.097 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.012 3.507 -5.417 1.00 0.00 H new ATOM 911 N VAL A 59 1.864 5.043 -3.917 1.00 0.00 N ATOM 912 CA VAL A 59 2.223 5.506 -2.587 1.00 0.00 C ATOM 913 C VAL A 59 3.248 6.635 -2.704 1.00 0.00 C ATOM 914 O VAL A 59 2.986 7.762 -2.284 1.00 0.00 O ATOM 915 CB VAL A 59 2.721 4.332 -1.742 1.00 0.00 C ATOM 916 CG1 VAL A 59 3.270 4.817 -0.399 1.00 0.00 C ATOM 917 CG2 VAL A 59 1.616 3.294 -1.539 1.00 0.00 C ATOM 0 H VAL A 59 2.026 4.049 -4.081 1.00 0.00 H new ATOM 0 HA VAL A 59 1.350 5.911 -2.075 1.00 0.00 H new ATOM 0 HB VAL A 59 3.536 3.852 -2.284 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.617 3.963 0.182 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.101 5.501 -0.571 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.483 5.334 0.150 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.997 2.470 -0.935 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.771 3.757 -1.029 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.292 2.914 -2.508 1.00 0.00 H new ATOM 927 N ASN A 60 4.393 6.296 -3.277 1.00 0.00 N ATOM 928 CA ASN A 60 5.459 7.267 -3.455 1.00 0.00 C ATOM 929 C ASN A 60 4.864 8.582 -3.965 1.00 0.00 C ATOM 930 O ASN A 60 5.154 9.649 -3.426 1.00 0.00 O ATOM 931 CB ASN A 60 6.482 6.781 -4.482 1.00 0.00 C ATOM 932 CG ASN A 60 7.569 7.833 -4.714 1.00 0.00 C ATOM 933 OD1 ASN A 60 7.527 8.611 -5.652 1.00 0.00 O ATOM 934 ND2 ASN A 60 8.543 7.812 -3.808 1.00 0.00 N ATOM 0 H ASN A 60 4.606 5.361 -3.625 1.00 0.00 H new ATOM 0 HA ASN A 60 5.953 7.406 -2.493 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.937 5.853 -4.136 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.980 6.558 -5.423 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.316 8.474 -3.875 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.517 7.134 -3.047 1.00 0.00 H new ATOM 941 N GLY A 61 4.043 8.461 -4.998 1.00 0.00 N ATOM 942 CA GLY A 61 3.406 9.627 -5.587 1.00 0.00 C ATOM 943 C GLY A 61 2.800 10.525 -4.506 1.00 0.00 C ATOM 944 O GLY A 61 2.861 11.749 -4.606 1.00 0.00 O ATOM 0 H GLY A 61 3.804 7.574 -5.442 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.137 10.191 -6.166 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.627 9.309 -6.280 1.00 0.00 H new ATOM 948 N VAL A 62 2.229 9.881 -3.498 1.00 0.00 N ATOM 949 CA VAL A 62 1.613 10.607 -2.401 1.00 0.00 C ATOM 950 C VAL A 62 2.702 11.099 -1.445 1.00 0.00 C ATOM 951 O VAL A 62 2.704 12.263 -1.048 1.00 0.00 O ATOM 952 CB VAL A 62 0.568 9.726 -1.713 1.00 0.00 C ATOM 953 CG1 VAL A 62 -0.293 10.547 -0.750 1.00 0.00 C ATOM 954 CG2 VAL A 62 -0.301 9.000 -2.742 1.00 0.00 C ATOM 0 H VAL A 62 2.180 8.865 -3.418 1.00 0.00 H new ATOM 0 HA VAL A 62 1.086 11.485 -2.773 1.00 0.00 H new ATOM 0 HB VAL A 62 1.097 8.972 -1.130 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.027 9.897 -0.274 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.342 10.996 0.013 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.808 11.333 -1.302 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.035 8.381 -2.226 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.816 9.732 -3.364 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.329 8.369 -3.370 1.00 0.00 H new ATOM 964 N ARG A 63 3.601 10.188 -1.104 1.00 0.00 N ATOM 965 CA ARG A 63 4.693 10.515 -0.203 1.00 0.00 C ATOM 966 C ARG A 63 5.458 11.737 -0.717 1.00 0.00 C ATOM 967 O ARG A 63 6.234 12.343 0.020 1.00 0.00 O ATOM 968 CB ARG A 63 5.662 9.339 -0.061 1.00 0.00 C ATOM 969 CG ARG A 63 6.900 9.742 0.741 1.00 0.00 C ATOM 970 CD ARG A 63 7.786 8.528 1.029 1.00 0.00 C ATOM 971 NE ARG A 63 9.070 8.967 1.620 1.00 0.00 N ATOM 972 CZ ARG A 63 10.014 9.642 0.949 1.00 0.00 C ATOM 973 NH1 ARG A 63 9.823 9.959 -0.339 1.00 0.00 N ATOM 974 NH2 ARG A 63 11.148 10.000 1.566 1.00 0.00 N ATOM 0 H ARG A 63 3.596 9.223 -1.435 1.00 0.00 H new ATOM 0 HA ARG A 63 4.262 10.736 0.773 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.160 8.507 0.433 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.962 8.989 -1.049 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.469 10.489 0.187 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.595 10.205 1.679 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.275 7.849 1.712 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.970 7.975 0.108 1.00 0.00 H new ATOM 0 HE ARG A 63 9.248 8.742 2.599 1.00 0.00 H new ATOM 0 HH11 ARG A 63 8.959 9.687 -0.809 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.541 10.473 -0.850 1.00 0.00 H new ATOM 0 HH21 ARG A 63 11.293 9.759 2.546 1.00 0.00 H new ATOM 0 HH22 ARG A 63 11.866 10.514 1.055 1.00 0.00 H new ATOM 988 N LYS A 64 5.211 12.062 -1.977 1.00 0.00 N ATOM 989 CA LYS A 64 5.867 13.201 -2.598 1.00 0.00 C ATOM 990 C LYS A 64 4.915 14.399 -2.589 1.00 0.00 C ATOM 991 O LYS A 64 5.293 15.493 -2.173 1.00 0.00 O ATOM 992 CB LYS A 64 6.376 12.831 -3.993 1.00 0.00 C ATOM 993 CG LYS A 64 6.440 14.063 -4.898 1.00 0.00 C ATOM 994 CD LYS A 64 6.907 13.686 -6.305 1.00 0.00 C ATOM 995 CE LYS A 64 7.931 14.694 -6.831 1.00 0.00 C ATOM 996 NZ LYS A 64 7.276 15.686 -7.713 1.00 0.00 N ATOM 0 H LYS A 64 4.566 11.557 -2.585 1.00 0.00 H new ATOM 0 HA LYS A 64 6.750 13.490 -2.028 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.366 12.381 -3.915 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.719 12.083 -4.437 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.457 14.531 -4.951 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.121 14.798 -4.470 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.347 12.689 -6.291 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.051 13.647 -6.978 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.412 15.203 -5.995 1.00 0.00 H new ATOM 0 HE3 LYS A 64 8.715 14.172 -7.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.985 16.363 -8.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.838 15.197 -8.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.544 16.196 -7.178 1.00 0.00 H new ATOM 1010 N HIS A 65 3.699 14.152 -3.053 1.00 0.00 N ATOM 1011 CA HIS A 65 2.690 15.197 -3.103 1.00 0.00 C ATOM 1012 C HIS A 65 1.900 15.211 -1.793 1.00 0.00 C ATOM 1013 O HIS A 65 0.798 15.754 -1.734 1.00 0.00 O ATOM 1014 CB HIS A 65 1.796 15.030 -4.333 1.00 0.00 C ATOM 1015 CG HIS A 65 2.511 15.240 -5.646 1.00 0.00 C ATOM 1016 ND1 HIS A 65 2.345 16.378 -6.416 1.00 0.00 N ATOM 1017 CD2 HIS A 65 3.397 14.448 -6.315 1.00 0.00 C ATOM 1018 CE1 HIS A 65 3.101 16.265 -7.498 1.00 0.00 C ATOM 1019 NE2 HIS A 65 3.751 15.068 -7.435 1.00 0.00 N ATOM 0 H HIS A 65 3.389 13.243 -3.398 1.00 0.00 H new ATOM 0 HA HIS A 65 3.173 16.169 -3.206 1.00 0.00 H new ATOM 0 HB2 HIS A 65 1.364 14.029 -4.322 1.00 0.00 H new ATOM 0 HB3 HIS A 65 0.968 15.735 -4.266 1.00 0.00 H new ATOM 0 HD2 HIS A 65 3.751 13.481 -5.989 1.00 0.00 H new ATOM 0 HE1 HIS A 65 3.187 16.993 -8.291 1.00 0.00 H new ATOM 0 HE2 HIS A 65 4.402 14.708 -8.133 1.00 0.00 H new ATOM 1061 N LYS A 69 1.282 14.026 8.207 1.00 0.00 N ATOM 1062 CA LYS A 69 2.186 13.273 9.060 1.00 0.00 C ATOM 1063 C LYS A 69 1.763 11.802 9.071 1.00 0.00 C ATOM 1064 O LYS A 69 2.588 10.914 8.863 1.00 0.00 O ATOM 1065 CB LYS A 69 2.257 13.902 10.453 1.00 0.00 C ATOM 1066 CG LYS A 69 3.128 15.160 10.442 1.00 0.00 C ATOM 1067 CD LYS A 69 4.378 14.969 11.303 1.00 0.00 C ATOM 1068 CE LYS A 69 5.605 14.687 10.434 1.00 0.00 C ATOM 1069 NZ LYS A 69 6.254 15.953 10.027 1.00 0.00 N ATOM 0 HA LYS A 69 3.202 13.311 8.666 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.253 14.153 10.794 1.00 0.00 H new ATOM 0 HB3 LYS A 69 2.663 13.180 11.162 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.420 15.396 9.419 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.553 16.008 10.813 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.551 15.863 11.903 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.223 14.144 11.998 1.00 0.00 H new ATOM 0 HE2 LYS A 69 6.314 14.069 10.985 1.00 0.00 H new ATOM 0 HE3 LYS A 69 5.310 14.122 9.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 7.085 15.743 9.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.580 16.529 9.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 6.553 16.477 10.874 1.00 0.00 H new ATOM 1083 N GLU A 70 0.478 11.591 9.316 1.00 0.00 N ATOM 1084 CA GLU A 70 -0.064 10.243 9.357 1.00 0.00 C ATOM 1085 C GLU A 70 -0.256 9.705 7.938 1.00 0.00 C ATOM 1086 O GLU A 70 -0.116 8.506 7.700 1.00 0.00 O ATOM 1087 CB GLU A 70 -1.377 10.204 10.140 1.00 0.00 C ATOM 1088 CG GLU A 70 -1.203 9.462 11.467 1.00 0.00 C ATOM 1089 CD GLU A 70 -1.288 7.948 11.263 1.00 0.00 C ATOM 1090 OE1 GLU A 70 -0.288 7.384 10.769 1.00 0.00 O ATOM 1091 OE2 GLU A 70 -2.352 7.388 11.605 1.00 0.00 O ATOM 0 H GLU A 70 -0.203 12.330 9.488 1.00 0.00 H new ATOM 0 HA GLU A 70 0.649 9.601 9.875 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.721 11.221 10.330 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.146 9.713 9.543 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.240 9.720 11.908 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.972 9.782 12.170 1.00 0.00 H new ATOM 1098 N VAL A 71 -0.573 10.618 7.031 1.00 0.00 N ATOM 1099 CA VAL A 71 -0.785 10.250 5.641 1.00 0.00 C ATOM 1100 C VAL A 71 0.564 9.944 4.987 1.00 0.00 C ATOM 1101 O VAL A 71 0.626 9.223 3.992 1.00 0.00 O ATOM 1102 CB VAL A 71 -1.562 11.353 4.921 1.00 0.00 C ATOM 1103 CG1 VAL A 71 -1.302 11.312 3.413 1.00 0.00 C ATOM 1104 CG2 VAL A 71 -3.059 11.256 5.222 1.00 0.00 C ATOM 0 H VAL A 71 -0.688 11.611 7.232 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.391 9.347 5.573 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.207 12.313 5.297 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.866 12.107 2.925 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.238 11.453 3.223 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.616 10.347 3.016 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.588 12.052 4.698 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.435 10.289 4.888 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.222 11.358 6.295 1.00 0.00 H new ATOM 1114 N VAL A 72 1.611 10.506 5.573 1.00 0.00 N ATOM 1115 CA VAL A 72 2.955 10.302 5.060 1.00 0.00 C ATOM 1116 C VAL A 72 3.575 9.080 5.739 1.00 0.00 C ATOM 1117 O VAL A 72 4.148 8.219 5.073 1.00 0.00 O ATOM 1118 CB VAL A 72 3.784 11.575 5.245 1.00 0.00 C ATOM 1119 CG1 VAL A 72 5.281 11.259 5.234 1.00 0.00 C ATOM 1120 CG2 VAL A 72 3.435 12.616 4.180 1.00 0.00 C ATOM 0 H VAL A 72 1.556 11.103 6.398 1.00 0.00 H new ATOM 0 HA VAL A 72 2.929 10.100 3.989 1.00 0.00 H new ATOM 0 HB VAL A 72 3.538 11.998 6.219 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.848 12.180 5.367 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.513 10.569 6.045 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.549 10.802 4.281 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.038 13.511 4.334 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.639 12.207 3.191 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.378 12.873 4.255 1.00 0.00 H new ATOM 1130 N SER A 73 3.441 9.043 7.057 1.00 0.00 N ATOM 1131 CA SER A 73 3.981 7.940 7.833 1.00 0.00 C ATOM 1132 C SER A 73 3.587 6.607 7.195 1.00 0.00 C ATOM 1133 O SER A 73 4.428 5.729 7.013 1.00 0.00 O ATOM 1134 CB SER A 73 3.496 7.998 9.283 1.00 0.00 C ATOM 1135 OG SER A 73 4.291 7.188 10.145 1.00 0.00 O ATOM 0 H SER A 73 2.966 9.759 7.607 1.00 0.00 H new ATOM 0 HA SER A 73 5.068 8.025 7.837 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.520 9.030 9.632 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.458 7.669 9.332 1.00 0.00 H new ATOM 0 HG SER A 73 3.950 7.253 11.062 1.00 0.00 H new ATOM 1141 N LEU A 74 2.306 6.498 6.871 1.00 0.00 N ATOM 1142 CA LEU A 74 1.790 5.287 6.257 1.00 0.00 C ATOM 1143 C LEU A 74 2.486 5.066 4.912 1.00 0.00 C ATOM 1144 O LEU A 74 3.101 4.024 4.692 1.00 0.00 O ATOM 1145 CB LEU A 74 0.264 5.346 6.157 1.00 0.00 C ATOM 1146 CG LEU A 74 -0.504 4.378 7.058 1.00 0.00 C ATOM 1147 CD1 LEU A 74 -2.012 4.487 6.820 1.00 0.00 C ATOM 1148 CD2 LEU A 74 0.002 2.945 6.881 1.00 0.00 C ATOM 0 H LEU A 74 1.611 7.229 7.022 1.00 0.00 H new ATOM 0 HA LEU A 74 2.013 4.420 6.878 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -0.057 6.361 6.391 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.020 5.152 5.123 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.320 4.658 8.095 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.535 3.788 7.473 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.342 5.503 7.037 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.234 4.248 5.780 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.561 2.277 7.533 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.132 2.637 5.844 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.060 2.898 7.140 1.00 0.00 H new ATOM 1160 N ALA A 75 2.367 6.064 4.049 1.00 0.00 N ATOM 1161 CA ALA A 75 2.977 5.991 2.732 1.00 0.00 C ATOM 1162 C ALA A 75 4.438 5.559 2.875 1.00 0.00 C ATOM 1163 O ALA A 75 4.953 4.815 2.042 1.00 0.00 O ATOM 1164 CB ALA A 75 2.835 7.342 2.028 1.00 0.00 C ATOM 0 H ALA A 75 1.857 6.928 4.236 1.00 0.00 H new ATOM 0 HA ALA A 75 2.472 5.247 2.116 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.293 7.287 1.040 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.778 7.590 1.925 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.333 8.113 2.616 1.00 0.00 H new ATOM 1170 N LYS A 76 5.064 6.044 3.937 1.00 0.00 N ATOM 1171 CA LYS A 76 6.455 5.717 4.200 1.00 0.00 C ATOM 1172 C LYS A 76 6.566 4.236 4.569 1.00 0.00 C ATOM 1173 O LYS A 76 7.299 3.486 3.926 1.00 0.00 O ATOM 1174 CB LYS A 76 7.036 6.659 5.256 1.00 0.00 C ATOM 1175 CG LYS A 76 7.309 8.044 4.666 1.00 0.00 C ATOM 1176 CD LYS A 76 7.884 8.988 5.724 1.00 0.00 C ATOM 1177 CE LYS A 76 8.577 10.186 5.072 1.00 0.00 C ATOM 1178 NZ LYS A 76 9.542 10.800 6.010 1.00 0.00 N ATOM 0 H LYS A 76 4.633 6.661 4.626 1.00 0.00 H new ATOM 0 HA LYS A 76 7.058 5.868 3.304 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.342 6.746 6.092 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.961 6.240 5.652 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.007 7.957 3.833 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.385 8.461 4.265 1.00 0.00 H new ATOM 0 HD2 LYS A 76 7.085 9.337 6.378 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.595 8.449 6.350 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.094 9.866 4.167 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.834 10.924 4.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.003 11.612 5.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.041 11.123 6.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.261 10.098 6.277 1.00 0.00 H new ATOM 1192 N VAL A 77 5.827 3.860 5.602 1.00 0.00 N ATOM 1193 CA VAL A 77 5.833 2.482 6.064 1.00 0.00 C ATOM 1194 C VAL A 77 5.603 1.549 4.874 1.00 0.00 C ATOM 1195 O VAL A 77 6.311 0.556 4.714 1.00 0.00 O ATOM 1196 CB VAL A 77 4.799 2.299 7.176 1.00 0.00 C ATOM 1197 CG1 VAL A 77 4.512 0.815 7.419 1.00 0.00 C ATOM 1198 CG2 VAL A 77 5.251 2.988 8.465 1.00 0.00 C ATOM 0 H VAL A 77 5.220 4.485 6.132 1.00 0.00 H new ATOM 0 HA VAL A 77 6.802 2.227 6.494 1.00 0.00 H new ATOM 0 HB VAL A 77 3.872 2.771 6.852 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.774 0.713 8.214 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.125 0.365 6.505 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.432 0.309 7.711 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.497 2.842 9.239 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.197 2.559 8.794 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.381 4.055 8.281 1.00 0.00 H new ATOM 1208 N LEU A 78 4.611 1.901 4.070 1.00 0.00 N ATOM 1209 CA LEU A 78 4.279 1.107 2.899 1.00 0.00 C ATOM 1210 C LEU A 78 5.530 0.932 2.035 1.00 0.00 C ATOM 1211 O LEU A 78 5.743 -0.130 1.454 1.00 0.00 O ATOM 1212 CB LEU A 78 3.097 1.725 2.150 1.00 0.00 C ATOM 1213 CG LEU A 78 1.733 1.606 2.834 1.00 0.00 C ATOM 1214 CD1 LEU A 78 0.698 2.503 2.154 1.00 0.00 C ATOM 1215 CD2 LEU A 78 1.276 0.147 2.895 1.00 0.00 C ATOM 0 H LEU A 78 4.026 2.725 4.206 1.00 0.00 H new ATOM 0 HA LEU A 78 3.953 0.110 3.195 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.308 2.782 1.987 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.031 1.258 1.168 1.00 0.00 H new ATOM 0 HG LEU A 78 1.835 1.955 3.862 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.262 2.399 2.660 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.026 3.541 2.207 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.592 2.209 1.110 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.304 0.090 3.386 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.196 -0.252 1.884 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.002 -0.438 3.459 1.00 0.00 H new ATOM 1227 N ILE A 79 6.325 1.991 1.979 1.00 0.00 N ATOM 1228 CA ILE A 79 7.548 1.968 1.196 1.00 0.00 C ATOM 1229 C ILE A 79 8.559 1.034 1.865 1.00 0.00 C ATOM 1230 O ILE A 79 9.180 0.207 1.200 1.00 0.00 O ATOM 1231 CB ILE A 79 8.074 3.389 0.981 1.00 0.00 C ATOM 1232 CG1 ILE A 79 7.589 3.955 -0.355 1.00 0.00 C ATOM 1233 CG2 ILE A 79 9.598 3.434 1.103 1.00 0.00 C ATOM 1234 CD1 ILE A 79 6.088 4.253 -0.312 1.00 0.00 C ATOM 0 H ILE A 79 6.145 2.870 2.464 1.00 0.00 H new ATOM 0 HA ILE A 79 7.355 1.570 0.200 1.00 0.00 H new ATOM 0 HB ILE A 79 7.670 4.026 1.767 1.00 0.00 H new ATOM 0 HG12 ILE A 79 8.138 4.867 -0.588 1.00 0.00 H new ATOM 0 HG13 ILE A 79 7.799 3.243 -1.153 1.00 0.00 H new ATOM 0 HG21 ILE A 79 9.946 4.455 0.946 1.00 0.00 H new ATOM 0 HG22 ILE A 79 9.893 3.099 2.097 1.00 0.00 H new ATOM 0 HG23 ILE A 79 10.043 2.780 0.353 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.769 4.654 -1.274 1.00 0.00 H new ATOM 0 HD12 ILE A 79 5.540 3.334 -0.103 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.884 4.983 0.471 1.00 0.00 H new ATOM 1246 N LYS A 80 8.692 1.197 3.173 1.00 0.00 N ATOM 1247 CA LYS A 80 9.616 0.379 3.940 1.00 0.00 C ATOM 1248 C LYS A 80 9.193 -1.088 3.843 1.00 0.00 C ATOM 1249 O LYS A 80 9.910 -1.909 3.273 1.00 0.00 O ATOM 1250 CB LYS A 80 9.724 0.894 5.376 1.00 0.00 C ATOM 1251 CG LYS A 80 10.982 0.355 6.060 1.00 0.00 C ATOM 1252 CD LYS A 80 10.916 0.565 7.574 1.00 0.00 C ATOM 1253 CE LYS A 80 12.162 1.296 8.080 1.00 0.00 C ATOM 1254 NZ LYS A 80 13.340 0.402 8.037 1.00 0.00 N ATOM 0 H LYS A 80 8.175 1.884 3.722 1.00 0.00 H new ATOM 0 HA LYS A 80 10.621 0.450 3.525 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.745 1.984 5.374 1.00 0.00 H new ATOM 0 HB3 LYS A 80 8.842 0.593 5.941 1.00 0.00 H new ATOM 0 HG2 LYS A 80 11.092 -0.707 5.841 1.00 0.00 H new ATOM 0 HG3 LYS A 80 11.862 0.857 5.658 1.00 0.00 H new ATOM 0 HD2 LYS A 80 10.025 1.140 7.827 1.00 0.00 H new ATOM 0 HD3 LYS A 80 10.827 -0.399 8.075 1.00 0.00 H new ATOM 0 HE2 LYS A 80 12.346 2.179 7.469 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.998 1.643 9.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 14.177 0.913 8.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 13.168 -0.428 8.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 13.505 0.092 7.058 1.00 0.00 H new ATOM 1268 N ASN A 81 8.029 -1.374 4.408 1.00 0.00 N ATOM 1269 CA ASN A 81 7.501 -2.727 4.393 1.00 0.00 C ATOM 1270 C ASN A 81 7.691 -3.328 2.999 1.00 0.00 C ATOM 1271 O ASN A 81 8.201 -4.439 2.862 1.00 0.00 O ATOM 1272 CB ASN A 81 6.005 -2.739 4.713 1.00 0.00 C ATOM 1273 CG ASN A 81 5.762 -2.502 6.205 1.00 0.00 C ATOM 1274 OD1 ASN A 81 6.678 -2.305 6.986 1.00 0.00 O ATOM 1275 ND2 ASN A 81 4.480 -2.532 6.555 1.00 0.00 N ATOM 0 H ASN A 81 7.436 -0.691 4.879 1.00 0.00 H new ATOM 0 HA ASN A 81 8.035 -3.305 5.147 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.499 -1.968 4.131 1.00 0.00 H new ATOM 0 HB3 ASN A 81 5.574 -3.696 4.418 1.00 0.00 H new ATOM 0 HD21 ASN A 81 4.214 -2.385 7.529 1.00 0.00 H new ATOM 0 HD22 ASN A 81 3.763 -2.702 5.850 1.00 0.00 H new ATOM 1282 N TRP A 82 7.271 -2.567 1.999 1.00 0.00 N ATOM 1283 CA TRP A 82 7.388 -3.010 0.620 1.00 0.00 C ATOM 1284 C TRP A 82 8.876 -3.150 0.294 1.00 0.00 C ATOM 1285 O TRP A 82 9.277 -4.079 -0.406 1.00 0.00 O ATOM 1286 CB TRP A 82 6.655 -2.057 -0.326 1.00 0.00 C ATOM 1287 CG TRP A 82 5.134 -2.061 -0.159 1.00 0.00 C ATOM 1288 CD1 TRP A 82 4.386 -2.905 0.565 1.00 0.00 C ATOM 1289 CD2 TRP A 82 4.201 -1.140 -0.762 1.00 0.00 C ATOM 1290 NE1 TRP A 82 3.044 -2.596 0.474 1.00 0.00 N ATOM 1291 CE2 TRP A 82 2.928 -1.489 -0.358 1.00 0.00 C ATOM 1292 CE3 TRP A 82 4.425 -0.048 -1.619 1.00 0.00 C ATOM 1293 CZ2 TRP A 82 1.780 -0.797 -0.762 1.00 0.00 C ATOM 1294 CZ3 TRP A 82 3.267 0.632 -2.013 1.00 0.00 C ATOM 1295 CH2 TRP A 82 1.978 0.294 -1.616 1.00 0.00 C ATOM 0 H TRP A 82 6.849 -1.646 2.116 1.00 0.00 H new ATOM 0 HA TRP A 82 6.909 -3.980 0.484 1.00 0.00 H new ATOM 0 HB2 TRP A 82 7.025 -1.045 -0.164 1.00 0.00 H new ATOM 0 HB3 TRP A 82 6.898 -2.324 -1.354 1.00 0.00 H new ATOM 0 HD1 TRP A 82 4.783 -3.724 1.146 1.00 0.00 H new ATOM 0 HE1 TRP A 82 2.278 -3.089 0.933 1.00 0.00 H new ATOM 0 HE3 TRP A 82 5.412 0.243 -1.947 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 0.794 -1.089 -0.432 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 3.383 1.480 -2.672 1.00 0.00 H new ATOM 0 HH2 TRP A 82 1.134 0.870 -1.965 1.00 0.00 H new ATOM 1306 N LYS A 83 9.655 -2.214 0.816 1.00 0.00 N ATOM 1307 CA LYS A 83 11.090 -2.221 0.588 1.00 0.00 C ATOM 1308 C LYS A 83 11.596 -3.665 0.602 1.00 0.00 C ATOM 1309 O LYS A 83 12.200 -4.124 -0.366 1.00 0.00 O ATOM 1310 CB LYS A 83 11.796 -1.312 1.595 1.00 0.00 C ATOM 1311 CG LYS A 83 13.132 -0.812 1.039 1.00 0.00 C ATOM 1312 CD LYS A 83 14.084 -0.421 2.171 1.00 0.00 C ATOM 1313 CE LYS A 83 14.719 0.946 1.906 1.00 0.00 C ATOM 1314 NZ LYS A 83 15.770 0.837 0.869 1.00 0.00 N ATOM 0 H LYS A 83 9.319 -1.445 1.396 1.00 0.00 H new ATOM 0 HA LYS A 83 11.323 -1.810 -0.395 1.00 0.00 H new ATOM 0 HB2 LYS A 83 11.157 -0.462 1.834 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.965 -1.855 2.525 1.00 0.00 H new ATOM 0 HG2 LYS A 83 13.589 -1.589 0.427 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.961 0.046 0.389 1.00 0.00 H new ATOM 0 HD2 LYS A 83 13.541 -0.397 3.116 1.00 0.00 H new ATOM 0 HD3 LYS A 83 14.864 -1.175 2.271 1.00 0.00 H new ATOM 0 HE2 LYS A 83 13.954 1.653 1.584 1.00 0.00 H new ATOM 0 HE3 LYS A 83 15.148 1.339 2.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 16.191 1.773 0.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 16.508 0.178 1.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 15.351 0.483 -0.014 1.00 0.00 H new ATOM 1328 N ARG A 84 11.332 -4.340 1.711 1.00 0.00 N ATOM 1329 CA ARG A 84 11.754 -5.722 1.864 1.00 0.00 C ATOM 1330 C ARG A 84 11.338 -6.543 0.641 1.00 0.00 C ATOM 1331 O ARG A 84 12.181 -7.136 -0.029 1.00 0.00 O ATOM 1332 CB ARG A 84 11.145 -6.348 3.121 1.00 0.00 C ATOM 1333 CG ARG A 84 11.908 -5.915 4.374 1.00 0.00 C ATOM 1334 CD ARG A 84 10.952 -5.687 5.547 1.00 0.00 C ATOM 1335 NE ARG A 84 11.717 -5.575 6.809 1.00 0.00 N ATOM 1336 CZ ARG A 84 11.160 -5.353 8.007 1.00 0.00 C ATOM 1337 NH1 ARG A 84 9.832 -5.217 8.114 1.00 0.00 N ATOM 1338 NH2 ARG A 84 11.933 -5.266 9.099 1.00 0.00 N ATOM 0 H ARG A 84 10.831 -3.956 2.512 1.00 0.00 H new ATOM 0 HA ARG A 84 12.840 -5.728 1.958 1.00 0.00 H new ATOM 0 HB2 ARG A 84 10.099 -6.054 3.208 1.00 0.00 H new ATOM 0 HB3 ARG A 84 11.164 -7.435 3.036 1.00 0.00 H new ATOM 0 HG2 ARG A 84 12.640 -6.677 4.640 1.00 0.00 H new ATOM 0 HG3 ARG A 84 12.462 -4.999 4.168 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.371 -4.779 5.382 1.00 0.00 H new ATOM 0 HD3 ARG A 84 10.242 -6.512 5.614 1.00 0.00 H new ATOM 0 HE ARG A 84 12.731 -5.673 6.764 1.00 0.00 H new ATOM 0 HH11 ARG A 84 9.244 -5.282 7.283 1.00 0.00 H new ATOM 0 HH12 ARG A 84 9.409 -5.048 9.026 1.00 0.00 H new ATOM 0 HH21 ARG A 84 12.945 -5.369 9.017 1.00 0.00 H new ATOM 0 HH22 ARG A 84 11.510 -5.097 10.011 1.00 0.00 H new