USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 582 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 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.0814) USER MOD Single : A 68 GLN : amide:sc= -1.78 X(o=-1.8,f=-1.3) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.0844 K(o=-0.084,f=-0.65) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 HIS : no HD1:sc= -0.0408 X(o=-0.041,f=0) USER MOD Single : A 85 GLN : amide:sc=-0.00951 X(o=-0.0095,f=-0.062) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 168 SER OG : rot -34:sc= 1.05 USER MOD Single : B 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 174 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : B 175 ASN : amide:sc= -1.59 X(o=-1.6,f=-2) USER MOD Single : B 176 MET CE :methyl 157:sc= -7.07! (180deg=-8.51!) USER MOD Single : B 184 THR OG1 : rot 106:sc= 0.884 USER MOD Single : B 185 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 188 GLN : amide:sc= -0.494 X(o=-0.49,f=0) USER MOD Single : B 189 GLN : amide:sc= -0.28 X(o=-0.28,f=0) USER MOD Single : B 191 SER OG : rot 180:sc= 0 USER MOD Single : B 192 LYS NZ :NH3+ 156:sc=-0.00954 (180deg=-0.476) USER MOD Single : B 194 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.0839) USER MOD Single : B 195 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 196 LYS NZ :NH3+ -178:sc= -0.0362 (180deg=-0.0431) USER MOD Single : B 197 GLN : amide:sc= -2.98 K(o=-3,f=-3.7!) USER MOD Single : B 198 GLN : amide:sc= -0.238 X(o=-0.24,f=-0.018) USER MOD Single : B 199 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 161 N LEU A 62 0.012 -18.490 2.014 1.00 0.00 N ATOM 162 CA LEU A 62 -0.183 -17.239 1.219 1.00 0.00 C ATOM 163 C LEU A 62 -1.395 -16.467 1.744 1.00 0.00 C ATOM 164 O LEU A 62 -1.458 -15.255 1.647 1.00 0.00 O ATOM 165 CB LEU A 62 -0.426 -17.705 -0.218 1.00 0.00 C ATOM 166 CG LEU A 62 -0.278 -16.519 -1.171 1.00 0.00 C ATOM 167 CD1 LEU A 62 1.194 -16.345 -1.547 1.00 0.00 C ATOM 168 CD2 LEU A 62 -1.100 -16.776 -2.436 1.00 0.00 C ATOM 0 HA LEU A 62 0.677 -16.572 1.286 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.284 -18.488 -0.482 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.423 -18.135 -0.308 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.636 -15.614 -0.681 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.298 -15.499 -2.227 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.780 -16.162 -0.647 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.554 -17.250 -2.036 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.995 -15.931 -3.116 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.742 -17.682 -2.925 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.150 -16.899 -2.169 1.00 0.00 H new ATOM 180 N GLU A 63 -2.356 -17.161 2.299 1.00 0.00 N ATOM 181 CA GLU A 63 -3.570 -16.473 2.834 1.00 0.00 C ATOM 182 C GLU A 63 -3.195 -15.596 4.030 1.00 0.00 C ATOM 183 O GLU A 63 -3.819 -14.583 4.287 1.00 0.00 O ATOM 184 CB GLU A 63 -4.516 -17.596 3.268 1.00 0.00 C ATOM 185 CG GLU A 63 -5.033 -18.333 2.032 1.00 0.00 C ATOM 186 CD GLU A 63 -6.343 -19.048 2.375 1.00 0.00 C ATOM 187 OE1 GLU A 63 -7.202 -18.415 2.965 1.00 0.00 O ATOM 188 OE2 GLU A 63 -6.463 -20.214 2.041 1.00 0.00 O ATOM 0 H GLU A 63 -2.352 -18.175 2.405 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.031 -15.822 2.092 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.995 -18.290 3.927 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.351 -17.184 3.835 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.194 -17.628 1.216 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.291 -19.054 1.689 1.00 0.00 H new ATOM 195 N GLU A 64 -2.175 -15.976 4.757 1.00 0.00 N ATOM 196 CA GLU A 64 -1.750 -15.164 5.938 1.00 0.00 C ATOM 197 C GLU A 64 -1.074 -13.878 5.468 1.00 0.00 C ATOM 198 O GLU A 64 -1.344 -12.803 5.971 1.00 0.00 O ATOM 199 CB GLU A 64 -0.760 -16.046 6.701 1.00 0.00 C ATOM 200 CG GLU A 64 -1.522 -16.939 7.683 1.00 0.00 C ATOM 201 CD GLU A 64 -0.543 -17.889 8.374 1.00 0.00 C ATOM 202 OE1 GLU A 64 0.576 -17.474 8.629 1.00 0.00 O ATOM 203 OE2 GLU A 64 -0.928 -19.017 8.636 1.00 0.00 O ATOM 0 H GLU A 64 -1.618 -16.813 4.584 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.593 -14.874 6.565 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.190 -16.659 6.003 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.043 -15.425 7.239 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.036 -16.327 8.424 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.287 -17.509 7.155 1.00 0.00 H new ATOM 210 N THR A 65 -0.205 -13.982 4.498 1.00 0.00 N ATOM 211 CA THR A 65 0.490 -12.767 3.976 1.00 0.00 C ATOM 212 C THR A 65 -0.528 -11.836 3.316 1.00 0.00 C ATOM 213 O THR A 65 -0.368 -10.630 3.314 1.00 0.00 O ATOM 214 CB THR A 65 1.497 -13.285 2.946 1.00 0.00 C ATOM 215 OG1 THR A 65 2.337 -14.256 3.553 1.00 0.00 O ATOM 216 CG2 THR A 65 2.346 -12.122 2.430 1.00 0.00 C ATOM 0 H THR A 65 0.055 -14.857 4.043 1.00 0.00 H new ATOM 0 HA THR A 65 0.984 -12.200 4.765 1.00 0.00 H new ATOM 0 HB THR A 65 0.962 -13.739 2.112 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.981 -14.589 2.894 1.00 0.00 H new ATOM 0 HG21 THR A 65 3.063 -12.492 1.697 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.700 -11.379 1.963 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.882 -11.665 3.262 1.00 0.00 H new ATOM 224 N LYS A 66 -1.576 -12.392 2.762 1.00 0.00 N ATOM 225 CA LYS A 66 -2.617 -11.545 2.106 1.00 0.00 C ATOM 226 C LYS A 66 -3.332 -10.689 3.156 1.00 0.00 C ATOM 227 O LYS A 66 -3.815 -9.613 2.865 1.00 0.00 O ATOM 228 CB LYS A 66 -3.595 -12.530 1.460 1.00 0.00 C ATOM 229 CG LYS A 66 -2.969 -13.111 0.190 1.00 0.00 C ATOM 230 CD LYS A 66 -3.040 -12.075 -0.934 1.00 0.00 C ATOM 231 CE LYS A 66 -2.823 -12.768 -2.281 1.00 0.00 C ATOM 232 NZ LYS A 66 -4.159 -13.312 -2.653 1.00 0.00 N ATOM 0 H LYS A 66 -1.755 -13.396 2.736 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.189 -10.863 1.371 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.836 -13.331 2.159 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.530 -12.025 1.219 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.932 -13.389 0.377 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.495 -14.019 -0.105 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.009 -11.575 -0.922 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.283 -11.306 -0.782 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.459 -12.067 -3.032 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.081 -13.563 -2.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.042 -14.241 -3.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.742 -13.415 -1.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.627 -12.661 -3.315 1.00 0.00 H new ATOM 246 N GLU A 67 -3.397 -11.164 4.376 1.00 0.00 N ATOM 247 CA GLU A 67 -4.079 -10.381 5.452 1.00 0.00 C ATOM 248 C GLU A 67 -3.317 -9.084 5.721 1.00 0.00 C ATOM 249 O GLU A 67 -3.904 -8.025 5.851 1.00 0.00 O ATOM 250 CB GLU A 67 -4.059 -11.283 6.687 1.00 0.00 C ATOM 251 CG GLU A 67 -5.353 -11.093 7.481 1.00 0.00 C ATOM 252 CD GLU A 67 -5.134 -10.041 8.570 1.00 0.00 C ATOM 253 OE1 GLU A 67 -4.663 -8.964 8.241 1.00 0.00 O ATOM 254 OE2 GLU A 67 -5.442 -10.329 9.715 1.00 0.00 O ATOM 0 H GLU A 67 -3.008 -12.059 4.672 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.096 -10.103 5.175 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.954 -12.326 6.387 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.198 -11.043 7.311 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.158 -10.781 6.816 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.659 -12.038 7.930 1.00 0.00 H new ATOM 261 N GLN A 68 -2.014 -9.160 5.797 1.00 0.00 N ATOM 262 CA GLN A 68 -1.205 -7.930 6.052 1.00 0.00 C ATOM 263 C GLN A 68 -1.229 -7.034 4.815 1.00 0.00 C ATOM 264 O GLN A 68 -1.314 -5.824 4.912 1.00 0.00 O ATOM 265 CB GLN A 68 0.216 -8.427 6.330 1.00 0.00 C ATOM 266 CG GLN A 68 0.900 -7.491 7.328 1.00 0.00 C ATOM 267 CD GLN A 68 1.084 -6.110 6.695 1.00 0.00 C ATOM 268 OE1 GLN A 68 2.043 -5.875 5.987 1.00 0.00 O ATOM 269 NE2 GLN A 68 0.197 -5.179 6.922 1.00 0.00 N ATOM 0 H GLN A 68 -1.475 -10.020 5.694 1.00 0.00 H new ATOM 0 HA GLN A 68 -1.592 -7.344 6.886 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.186 -9.441 6.729 1.00 0.00 H new ATOM 0 HB3 GLN A 68 0.787 -8.466 5.402 1.00 0.00 H new ATOM 0 HG2 GLN A 68 0.301 -7.409 8.235 1.00 0.00 H new ATOM 0 HG3 GLN A 68 1.867 -7.900 7.621 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -0.608 -5.376 7.516 1.00 0.00 H new ATOM 0 HE22 GLN A 68 0.309 -4.255 6.505 1.00 0.00 H new ATOM 278 N ILE A 69 -1.166 -7.627 3.653 1.00 0.00 N ATOM 279 CA ILE A 69 -1.197 -6.824 2.394 1.00 0.00 C ATOM 280 C ILE A 69 -2.602 -6.246 2.186 1.00 0.00 C ATOM 281 O ILE A 69 -2.773 -5.226 1.547 1.00 0.00 O ATOM 282 CB ILE A 69 -0.841 -7.807 1.273 1.00 0.00 C ATOM 283 CG1 ILE A 69 0.546 -8.404 1.536 1.00 0.00 C ATOM 284 CG2 ILE A 69 -0.826 -7.075 -0.071 1.00 0.00 C ATOM 285 CD1 ILE A 69 0.787 -9.576 0.584 1.00 0.00 C ATOM 0 H ILE A 69 -1.094 -8.636 3.520 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.503 -5.984 2.419 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.585 -8.603 1.246 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.314 -7.643 1.394 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.618 -8.741 2.570 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.572 -7.777 -0.865 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.810 -6.649 -0.264 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.084 -6.277 -0.042 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.773 -10.000 0.771 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.027 -10.340 0.747 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.733 -9.225 -0.446 1.00 0.00 H new ATOM 297 N LEU A 70 -3.607 -6.892 2.730 1.00 0.00 N ATOM 298 CA LEU A 70 -5.003 -6.382 2.572 1.00 0.00 C ATOM 299 C LEU A 70 -5.201 -5.125 3.424 1.00 0.00 C ATOM 300 O LEU A 70 -5.918 -4.218 3.047 1.00 0.00 O ATOM 301 CB LEU A 70 -5.905 -7.514 3.069 1.00 0.00 C ATOM 302 CG LEU A 70 -7.370 -7.122 2.873 1.00 0.00 C ATOM 303 CD1 LEU A 70 -8.204 -8.377 2.609 1.00 0.00 C ATOM 304 CD2 LEU A 70 -7.884 -6.427 4.135 1.00 0.00 C ATOM 0 H LEU A 70 -3.519 -7.749 3.276 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.228 -6.110 1.541 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.687 -8.433 2.524 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.709 -7.714 4.122 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.454 -6.445 2.023 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.248 -8.097 2.469 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.838 -8.875 1.711 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.120 -9.055 3.459 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.928 -6.147 3.997 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.800 -7.105 4.984 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.291 -5.533 4.325 1.00 0.00 H new ATOM 316 N LYS A 71 -4.564 -5.064 4.568 1.00 0.00 N ATOM 317 CA LYS A 71 -4.710 -3.862 5.447 1.00 0.00 C ATOM 318 C LYS A 71 -4.070 -2.645 4.776 1.00 0.00 C ATOM 319 O LYS A 71 -4.566 -1.539 4.877 1.00 0.00 O ATOM 320 CB LYS A 71 -3.970 -4.212 6.740 1.00 0.00 C ATOM 321 CG LYS A 71 -4.816 -5.182 7.567 1.00 0.00 C ATOM 322 CD LYS A 71 -6.025 -4.442 8.143 1.00 0.00 C ATOM 323 CE LYS A 71 -6.437 -5.089 9.468 1.00 0.00 C ATOM 324 NZ LYS A 71 -5.798 -4.252 10.520 1.00 0.00 N ATOM 0 H LYS A 71 -3.950 -5.793 4.931 1.00 0.00 H new ATOM 0 HA LYS A 71 -5.755 -3.615 5.636 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.004 -4.662 6.508 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.771 -3.307 7.314 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.148 -6.013 6.945 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.218 -5.606 8.373 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.781 -3.391 8.300 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.855 -4.474 7.437 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.521 -5.104 9.580 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.097 -6.123 9.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.035 -4.633 11.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.766 -4.262 10.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.146 -3.275 10.445 1.00 0.00 H new ATOM 338 N LEU A 72 -2.976 -2.847 4.087 1.00 0.00 N ATOM 339 CA LEU A 72 -2.298 -1.706 3.399 1.00 0.00 C ATOM 340 C LEU A 72 -3.206 -1.144 2.301 1.00 0.00 C ATOM 341 O LEU A 72 -3.137 0.024 1.967 1.00 0.00 O ATOM 342 CB LEU A 72 -1.025 -2.300 2.791 1.00 0.00 C ATOM 343 CG LEU A 72 0.159 -2.040 3.725 1.00 0.00 C ATOM 344 CD1 LEU A 72 1.399 -2.758 3.190 1.00 0.00 C ATOM 345 CD2 LEU A 72 0.431 -0.536 3.797 1.00 0.00 C ATOM 0 H LEU A 72 -2.522 -3.753 3.971 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.074 -0.887 4.082 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.150 -3.372 2.635 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.835 -1.856 1.814 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.075 -2.415 4.721 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.242 -2.573 3.855 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.205 -3.829 3.139 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.634 -2.384 2.193 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.274 -0.350 4.462 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.665 -0.160 2.801 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.452 -0.024 4.179 1.00 0.00 H new ATOM 357 N GLU A 73 -4.056 -1.969 1.741 1.00 0.00 N ATOM 358 CA GLU A 73 -4.973 -1.487 0.663 1.00 0.00 C ATOM 359 C GLU A 73 -5.965 -0.472 1.231 1.00 0.00 C ATOM 360 O GLU A 73 -6.296 0.509 0.593 1.00 0.00 O ATOM 361 CB GLU A 73 -5.708 -2.735 0.166 1.00 0.00 C ATOM 362 CG GLU A 73 -6.392 -2.429 -1.167 1.00 0.00 C ATOM 363 CD GLU A 73 -5.347 -2.414 -2.285 1.00 0.00 C ATOM 364 OE1 GLU A 73 -4.440 -3.227 -2.232 1.00 0.00 O ATOM 365 OE2 GLU A 73 -5.475 -1.590 -3.176 1.00 0.00 O ATOM 0 H GLU A 73 -4.154 -2.955 1.984 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.432 -0.990 -0.143 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -5.005 -3.560 0.045 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.447 -3.051 0.902 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -7.154 -3.179 -1.377 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.899 -1.465 -1.115 1.00 0.00 H new ATOM 372 N GLU A 74 -6.434 -0.700 2.431 1.00 0.00 N ATOM 373 CA GLU A 74 -7.402 0.254 3.053 1.00 0.00 C ATOM 374 C GLU A 74 -6.665 1.512 3.511 1.00 0.00 C ATOM 375 O GLU A 74 -7.213 2.599 3.513 1.00 0.00 O ATOM 376 CB GLU A 74 -7.989 -0.491 4.253 1.00 0.00 C ATOM 377 CG GLU A 74 -9.300 -1.165 3.845 1.00 0.00 C ATOM 378 CD GLU A 74 -9.010 -2.568 3.312 1.00 0.00 C ATOM 379 OE1 GLU A 74 -8.179 -2.684 2.424 1.00 0.00 O ATOM 380 OE2 GLU A 74 -9.622 -3.505 3.799 1.00 0.00 O ATOM 0 H GLU A 74 -6.189 -1.505 3.007 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.179 0.569 2.357 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.281 -1.237 4.613 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.165 0.203 5.075 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.973 -1.222 4.700 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.804 -0.572 3.082 1.00 0.00 H new ATOM 387 N LYS A 75 -5.423 1.370 3.893 1.00 0.00 N ATOM 388 CA LYS A 75 -4.632 2.551 4.348 1.00 0.00 C ATOM 389 C LYS A 75 -4.166 3.357 3.133 1.00 0.00 C ATOM 390 O LYS A 75 -4.014 4.562 3.198 1.00 0.00 O ATOM 391 CB LYS A 75 -3.432 1.968 5.111 1.00 0.00 C ATOM 392 CG LYS A 75 -3.505 2.381 6.584 1.00 0.00 C ATOM 393 CD LYS A 75 -4.696 1.691 7.250 1.00 0.00 C ATOM 394 CE LYS A 75 -4.703 2.013 8.746 1.00 0.00 C ATOM 395 NZ LYS A 75 -5.529 0.939 9.366 1.00 0.00 N ATOM 0 H LYS A 75 -4.920 0.483 3.909 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.213 3.225 4.978 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.430 0.881 5.028 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.501 2.323 4.670 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.581 2.109 7.095 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.607 3.463 6.664 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.626 2.025 6.791 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.636 0.613 7.100 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.692 2.019 9.154 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.129 2.998 8.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.581 1.091 10.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.488 0.962 8.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.095 0.013 9.174 1.00 0.00 H new ATOM 409 N LEU A 76 -3.946 2.696 2.024 1.00 0.00 N ATOM 410 CA LEU A 76 -3.498 3.416 0.795 1.00 0.00 C ATOM 411 C LEU A 76 -4.694 4.096 0.131 1.00 0.00 C ATOM 412 O LEU A 76 -4.564 5.136 -0.489 1.00 0.00 O ATOM 413 CB LEU A 76 -2.916 2.334 -0.117 1.00 0.00 C ATOM 414 CG LEU A 76 -2.356 2.981 -1.384 1.00 0.00 C ATOM 415 CD1 LEU A 76 -1.147 3.848 -1.025 1.00 0.00 C ATOM 416 CD2 LEU A 76 -1.925 1.888 -2.365 1.00 0.00 C ATOM 0 H LEU A 76 -4.058 1.688 1.918 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.765 4.193 1.012 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.129 1.789 0.404 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.687 1.609 -0.377 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.124 3.603 -1.844 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.748 4.309 -1.929 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.452 4.626 -0.325 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.378 3.227 -0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.525 2.347 -3.269 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.157 1.267 -1.904 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.785 1.270 -2.622 1.00 0.00 H new ATOM 428 N LEU A 77 -5.860 3.518 0.265 1.00 0.00 N ATOM 429 CA LEU A 77 -7.077 4.125 -0.346 1.00 0.00 C ATOM 430 C LEU A 77 -7.550 5.304 0.506 1.00 0.00 C ATOM 431 O LEU A 77 -8.112 6.259 0.004 1.00 0.00 O ATOM 432 CB LEU A 77 -8.126 3.010 -0.353 1.00 0.00 C ATOM 433 CG LEU A 77 -7.759 1.971 -1.413 1.00 0.00 C ATOM 434 CD1 LEU A 77 -8.560 0.690 -1.173 1.00 0.00 C ATOM 435 CD2 LEU A 77 -8.088 2.523 -2.802 1.00 0.00 C ATOM 0 H LEU A 77 -6.021 2.648 0.774 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.891 4.506 -1.350 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.179 2.540 0.629 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.112 3.425 -0.561 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.693 1.750 -1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.298 -0.050 -1.929 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.328 0.296 -0.184 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.626 0.910 -1.235 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.827 1.783 -3.559 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.154 2.744 -2.863 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -7.518 3.436 -2.975 1.00 0.00 H new ATOM 447 N ALA A 78 -7.317 5.242 1.793 1.00 0.00 N ATOM 448 CA ALA A 78 -7.742 6.359 2.689 1.00 0.00 C ATOM 449 C ALA A 78 -6.802 7.555 2.518 1.00 0.00 C ATOM 450 O ALA A 78 -7.192 8.692 2.708 1.00 0.00 O ATOM 451 CB ALA A 78 -7.642 5.797 4.109 1.00 0.00 C ATOM 0 H ALA A 78 -6.850 4.465 2.262 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.750 6.708 2.463 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.940 6.563 4.825 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -8.301 4.934 4.206 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.614 5.493 4.309 1.00 0.00 H new ATOM 457 N LEU A 79 -5.568 7.304 2.157 1.00 0.00 N ATOM 458 CA LEU A 79 -4.597 8.425 1.967 1.00 0.00 C ATOM 459 C LEU A 79 -4.870 9.130 0.636 1.00 0.00 C ATOM 460 O LEU A 79 -4.736 10.334 0.525 1.00 0.00 O ATOM 461 CB LEU A 79 -3.207 7.764 1.961 1.00 0.00 C ATOM 462 CG LEU A 79 -2.389 8.219 3.180 1.00 0.00 C ATOM 463 CD1 LEU A 79 -2.181 9.737 3.132 1.00 0.00 C ATOM 464 CD2 LEU A 79 -3.124 7.841 4.472 1.00 0.00 C ATOM 0 H LEU A 79 -5.191 6.372 1.986 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.676 9.179 2.750 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.314 6.679 1.972 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.678 8.023 1.044 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.419 7.723 3.160 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.601 10.052 3.999 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.645 10.002 2.221 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.149 10.237 3.142 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.539 8.166 5.332 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.099 8.328 4.492 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.257 6.760 4.512 1.00 0.00 H new ATOM 476 N GLN A 80 -5.255 8.387 -0.370 1.00 0.00 N ATOM 477 CA GLN A 80 -5.545 9.010 -1.698 1.00 0.00 C ATOM 478 C GLN A 80 -6.884 9.749 -1.648 1.00 0.00 C ATOM 479 O GLN A 80 -7.102 10.704 -2.370 1.00 0.00 O ATOM 480 CB GLN A 80 -5.609 7.844 -2.687 1.00 0.00 C ATOM 481 CG GLN A 80 -4.190 7.441 -3.091 1.00 0.00 C ATOM 482 CD GLN A 80 -4.206 6.875 -4.513 1.00 0.00 C ATOM 483 OE1 GLN A 80 -4.829 7.433 -5.394 1.00 0.00 O ATOM 484 NE2 GLN A 80 -3.541 5.782 -4.774 1.00 0.00 N ATOM 0 H GLN A 80 -5.381 7.376 -0.330 1.00 0.00 H new ATOM 0 HA GLN A 80 -4.787 9.739 -1.986 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -6.124 6.997 -2.234 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -6.182 8.132 -3.569 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -3.527 8.304 -3.039 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -3.800 6.697 -2.396 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -3.018 5.314 -4.034 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -3.544 5.396 -5.718 1.00 0.00 H new ATOM 493 N GLU A 81 -7.778 9.317 -0.794 1.00 0.00 N ATOM 494 CA GLU A 81 -9.103 9.997 -0.686 1.00 0.00 C ATOM 495 C GLU A 81 -8.951 11.308 0.091 1.00 0.00 C ATOM 496 O GLU A 81 -9.702 12.245 -0.108 1.00 0.00 O ATOM 497 CB GLU A 81 -9.998 9.020 0.078 1.00 0.00 C ATOM 498 CG GLU A 81 -10.605 8.013 -0.902 1.00 0.00 C ATOM 499 CD GLU A 81 -11.889 7.431 -0.307 1.00 0.00 C ATOM 500 OE1 GLU A 81 -11.820 6.887 0.783 1.00 0.00 O ATOM 501 OE2 GLU A 81 -12.919 7.539 -0.951 1.00 0.00 O ATOM 0 H GLU A 81 -7.647 8.523 -0.167 1.00 0.00 H new ATOM 0 HA GLU A 81 -9.522 10.246 -1.661 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.419 8.499 0.840 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.789 9.563 0.595 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -10.821 8.500 -1.853 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -9.892 7.214 -1.107 1.00 0.00 H new ATOM 508 N GLU A 82 -7.980 11.379 0.968 1.00 0.00 N ATOM 509 CA GLU A 82 -7.770 12.630 1.754 1.00 0.00 C ATOM 510 C GLU A 82 -7.137 13.701 0.867 1.00 0.00 C ATOM 511 O GLU A 82 -7.521 14.855 0.911 1.00 0.00 O ATOM 512 CB GLU A 82 -6.825 12.239 2.891 1.00 0.00 C ATOM 513 CG GLU A 82 -7.617 11.536 3.996 1.00 0.00 C ATOM 514 CD GLU A 82 -8.145 12.576 4.987 1.00 0.00 C ATOM 515 OE1 GLU A 82 -8.496 13.659 4.547 1.00 0.00 O ATOM 516 OE2 GLU A 82 -8.187 12.272 6.167 1.00 0.00 O ATOM 0 H GLU A 82 -7.325 10.624 1.172 1.00 0.00 H new ATOM 0 HA GLU A 82 -8.704 13.042 2.135 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.041 11.581 2.516 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.333 13.126 3.290 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -8.446 10.976 3.564 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.981 10.816 4.512 1.00 0.00 H new ATOM 523 N LYS A 83 -6.178 13.328 0.054 1.00 0.00 N ATOM 524 CA LYS A 83 -5.536 14.332 -0.844 1.00 0.00 C ATOM 525 C LYS A 83 -6.559 14.840 -1.864 1.00 0.00 C ATOM 526 O LYS A 83 -6.457 15.949 -2.356 1.00 0.00 O ATOM 527 CB LYS A 83 -4.381 13.595 -1.533 1.00 0.00 C ATOM 528 CG LYS A 83 -4.910 12.403 -2.334 1.00 0.00 C ATOM 529 CD LYS A 83 -3.819 11.907 -3.290 1.00 0.00 C ATOM 530 CE LYS A 83 -4.063 12.478 -4.690 1.00 0.00 C ATOM 531 NZ LYS A 83 -3.141 11.718 -5.579 1.00 0.00 N ATOM 0 H LYS A 83 -5.816 12.378 -0.025 1.00 0.00 H new ATOM 0 HA LYS A 83 -5.170 15.203 -0.300 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.849 14.278 -2.195 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -3.665 13.251 -0.787 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -5.209 11.601 -1.659 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.797 12.694 -2.897 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.838 12.213 -2.928 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -3.820 10.818 -3.325 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -5.102 12.348 -4.994 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -3.852 13.547 -4.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -3.249 12.052 -6.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -2.159 11.866 -5.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -3.370 10.705 -5.532 1.00 0.00 H new ATOM 545 N HIS A 84 -7.552 14.041 -2.172 1.00 0.00 N ATOM 546 CA HIS A 84 -8.594 14.480 -3.147 1.00 0.00 C ATOM 547 C HIS A 84 -9.352 15.683 -2.582 1.00 0.00 C ATOM 548 O HIS A 84 -9.834 16.524 -3.317 1.00 0.00 O ATOM 549 CB HIS A 84 -9.532 13.282 -3.310 1.00 0.00 C ATOM 550 CG HIS A 84 -10.540 13.577 -4.386 1.00 0.00 C ATOM 551 ND1 HIS A 84 -10.352 13.184 -5.702 1.00 0.00 N ATOM 552 CD2 HIS A 84 -11.749 14.226 -4.358 1.00 0.00 C ATOM 553 CE1 HIS A 84 -11.423 13.597 -6.405 1.00 0.00 C ATOM 554 NE2 HIS A 84 -12.305 14.237 -5.633 1.00 0.00 N ATOM 0 H HIS A 84 -7.684 13.105 -1.790 1.00 0.00 H new ATOM 0 HA HIS A 84 -8.166 14.783 -4.102 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -8.960 12.391 -3.568 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -10.040 13.073 -2.368 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -12.200 14.662 -3.479 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -11.553 13.431 -7.464 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -13.195 14.646 -5.917 1.00 0.00 H new ATOM 562 N GLN A 85 -9.455 15.770 -1.278 1.00 0.00 N ATOM 563 CA GLN A 85 -10.177 16.923 -0.658 1.00 0.00 C ATOM 564 C GLN A 85 -9.442 18.228 -0.974 1.00 0.00 C ATOM 565 O GLN A 85 -10.054 19.261 -1.175 1.00 0.00 O ATOM 566 CB GLN A 85 -10.163 16.649 0.848 1.00 0.00 C ATOM 567 CG GLN A 85 -11.436 17.213 1.481 1.00 0.00 C ATOM 568 CD GLN A 85 -11.215 18.681 1.854 1.00 0.00 C ATOM 569 OE1 GLN A 85 -10.372 18.991 2.671 1.00 0.00 O ATOM 570 NE2 GLN A 85 -11.944 19.602 1.285 1.00 0.00 N ATOM 0 H GLN A 85 -9.071 15.094 -0.618 1.00 0.00 H new ATOM 0 HA GLN A 85 -11.194 17.025 -1.037 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -10.097 15.577 1.033 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -9.284 17.106 1.303 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -12.270 17.125 0.785 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -11.699 16.637 2.368 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -12.652 19.340 0.599 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.806 20.583 1.527 1.00 0.00 H new ATOM 579 N LEU A 86 -8.134 18.184 -1.026 1.00 0.00 N ATOM 580 CA LEU A 86 -7.351 19.421 -1.336 1.00 0.00 C ATOM 581 C LEU A 86 -7.642 19.867 -2.772 1.00 0.00 C ATOM 582 O LEU A 86 -7.652 21.046 -3.075 1.00 0.00 O ATOM 583 CB LEU A 86 -5.875 19.026 -1.179 1.00 0.00 C ATOM 584 CG LEU A 86 -5.261 19.776 0.007 1.00 0.00 C ATOM 585 CD1 LEU A 86 -4.021 19.027 0.498 1.00 0.00 C ATOM 586 CD2 LEU A 86 -4.864 21.187 -0.435 1.00 0.00 C ATOM 0 H LEU A 86 -7.574 17.346 -0.867 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.610 20.251 -0.678 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.791 17.950 -1.024 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.327 19.260 -2.092 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.990 19.839 0.815 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.584 19.561 1.342 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.303 18.022 0.811 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.291 18.964 -0.309 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.427 21.723 0.408 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.135 21.124 -1.243 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.748 21.721 -0.785 1.00 0.00 H new ATOM 598 N PHE A 87 -7.881 18.930 -3.654 1.00 0.00 N ATOM 599 CA PHE A 87 -8.178 19.291 -5.075 1.00 0.00 C ATOM 600 C PHE A 87 -9.466 20.114 -5.149 1.00 0.00 C ATOM 601 O PHE A 87 -9.636 20.938 -6.028 1.00 0.00 O ATOM 602 CB PHE A 87 -8.352 17.957 -5.806 1.00 0.00 C ATOM 603 CG PHE A 87 -7.041 17.547 -6.432 1.00 0.00 C ATOM 604 CD1 PHE A 87 -6.063 16.911 -5.657 1.00 0.00 C ATOM 605 CD2 PHE A 87 -6.801 17.804 -7.788 1.00 0.00 C ATOM 606 CE1 PHE A 87 -4.848 16.532 -6.238 1.00 0.00 C ATOM 607 CE2 PHE A 87 -5.585 17.426 -8.368 1.00 0.00 C ATOM 608 CZ PHE A 87 -4.608 16.789 -7.593 1.00 0.00 C ATOM 0 H PHE A 87 -7.883 17.930 -3.452 1.00 0.00 H new ATOM 0 HA PHE A 87 -7.385 19.893 -5.519 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -8.689 17.190 -5.109 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -9.120 18.049 -6.574 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.247 16.713 -4.611 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -7.555 18.294 -8.386 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -4.094 16.041 -5.640 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -5.400 17.625 -9.413 1.00 0.00 H new ATOM 0 HZ PHE A 87 -3.670 16.496 -8.040 1.00 0.00 H new ATOM 618 N LEU A 88 -10.371 19.897 -4.228 1.00 0.00 N ATOM 619 CA LEU A 88 -11.653 20.667 -4.235 1.00 0.00 C ATOM 620 C LEU A 88 -11.414 22.093 -3.733 1.00 0.00 C ATOM 621 O LEU A 88 -12.105 23.018 -4.116 1.00 0.00 O ATOM 622 CB LEU A 88 -12.580 19.911 -3.280 1.00 0.00 C ATOM 623 CG LEU A 88 -13.498 18.986 -4.081 1.00 0.00 C ATOM 624 CD1 LEU A 88 -12.779 17.665 -4.357 1.00 0.00 C ATOM 625 CD2 LEU A 88 -14.772 18.714 -3.277 1.00 0.00 C ATOM 0 H LEU A 88 -10.278 19.220 -3.471 1.00 0.00 H new ATOM 0 HA LEU A 88 -12.079 20.748 -5.235 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -11.992 19.330 -2.570 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -13.175 20.617 -2.700 1.00 0.00 H new ATOM 0 HG LEU A 88 -13.757 19.462 -5.027 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -13.434 17.007 -4.928 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -11.871 17.857 -4.928 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -12.519 17.188 -3.412 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -15.428 18.055 -3.846 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -14.511 18.238 -2.332 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -15.286 19.655 -3.080 1.00 0.00 H new ATOM 637 N GLN A 89 -10.439 22.272 -2.880 1.00 0.00 N ATOM 638 CA GLN A 89 -10.142 23.635 -2.346 1.00 0.00 C ATOM 639 C GLN A 89 -9.173 24.372 -3.275 1.00 0.00 C ATOM 640 O GLN A 89 -9.159 25.586 -3.332 1.00 0.00 O ATOM 641 CB GLN A 89 -9.500 23.394 -0.980 1.00 0.00 C ATOM 642 CG GLN A 89 -10.593 23.172 0.066 1.00 0.00 C ATOM 643 CD GLN A 89 -9.975 23.202 1.465 1.00 0.00 C ATOM 644 OE1 GLN A 89 -10.409 23.952 2.317 1.00 0.00 O ATOM 645 NE2 GLN A 89 -8.973 22.414 1.740 1.00 0.00 N ATOM 0 H GLN A 89 -9.833 21.530 -2.529 1.00 0.00 H new ATOM 0 HA GLN A 89 -11.037 24.252 -2.272 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -8.842 22.526 -1.024 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -8.883 24.248 -0.701 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -11.357 23.944 -0.022 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.086 22.215 -0.105 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -8.608 21.784 1.025 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -8.554 22.427 2.670 1.00 0.00 H new ATOM 654 N LEU A 90 -8.363 23.643 -4.004 1.00 0.00 N ATOM 655 CA LEU A 90 -7.389 24.296 -4.934 1.00 0.00 C ATOM 656 C LEU A 90 -8.134 25.144 -5.971 1.00 0.00 C ATOM 657 O LEU A 90 -9.085 24.640 -6.546 1.00 0.00 O ATOM 658 CB LEU A 90 -6.648 23.143 -5.617 1.00 0.00 C ATOM 659 CG LEU A 90 -5.571 23.705 -6.547 1.00 0.00 C ATOM 660 CD1 LEU A 90 -4.473 24.372 -5.714 1.00 0.00 C ATOM 661 CD2 LEU A 90 -4.965 22.567 -7.370 1.00 0.00 C ATOM 662 OXT LEU A 90 -7.740 26.280 -6.171 1.00 0.00 O ATOM 0 H LEU A 90 -8.334 22.623 -3.995 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.705 24.962 -4.409 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.194 22.495 -4.868 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.350 22.532 -6.184 1.00 0.00 H new ATOM 0 HG LEU A 90 -6.017 24.441 -7.216 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -3.706 24.772 -6.377 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.904 25.183 -5.126 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.027 23.637 -5.045 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.197 22.966 -8.033 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.519 21.831 -6.701 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.746 22.092 -7.964 1.00 0.00 H new ATOM 675 N GLY B 166 -9.276 28.409 -3.429 1.00 0.00 N ATOM 676 CA GLY B 166 -7.983 28.157 -2.732 1.00 0.00 C ATOM 677 C GLY B 166 -7.725 29.267 -1.715 1.00 0.00 C ATOM 678 O GLY B 166 -8.630 29.729 -1.044 1.00 0.00 O ATOM 0 HA2 GLY B 166 -8.011 27.190 -2.230 1.00 0.00 H new ATOM 0 HA3 GLY B 166 -7.169 28.117 -3.456 1.00 0.00 H new ATOM 684 N LEU B 167 -6.494 29.694 -1.592 1.00 0.00 N ATOM 685 CA LEU B 167 -6.163 30.773 -0.614 1.00 0.00 C ATOM 686 C LEU B 167 -5.115 31.732 -1.197 1.00 0.00 C ATOM 687 O LEU B 167 -5.227 32.936 -1.059 1.00 0.00 O ATOM 688 CB LEU B 167 -5.621 30.048 0.630 1.00 0.00 C ATOM 689 CG LEU B 167 -4.461 29.110 0.260 1.00 0.00 C ATOM 690 CD1 LEU B 167 -3.135 29.839 0.447 1.00 0.00 C ATOM 691 CD2 LEU B 167 -4.500 27.877 1.161 1.00 0.00 C ATOM 0 H LEU B 167 -5.702 29.340 -2.129 1.00 0.00 H new ATOM 0 HA LEU B 167 -7.034 31.382 -0.372 1.00 0.00 H new ATOM 0 HB2 LEU B 167 -5.282 30.780 1.363 1.00 0.00 H new ATOM 0 HB3 LEU B 167 -6.421 29.475 1.099 1.00 0.00 H new ATOM 0 HG LEU B 167 -4.559 28.803 -0.781 1.00 0.00 H new ATOM 0 HD11 LEU B 167 -2.313 29.173 0.184 1.00 0.00 H new ATOM 0 HD12 LEU B 167 -3.109 30.718 -0.197 1.00 0.00 H new ATOM 0 HD13 LEU B 167 -3.033 30.148 1.487 1.00 0.00 H new ATOM 0 HD21 LEU B 167 -3.678 27.210 0.901 1.00 0.00 H new ATOM 0 HD22 LEU B 167 -4.402 28.184 2.202 1.00 0.00 H new ATOM 0 HD23 LEU B 167 -5.448 27.356 1.024 1.00 0.00 H new ATOM 703 N SER B 168 -4.102 31.212 -1.846 1.00 0.00 N ATOM 704 CA SER B 168 -3.051 32.096 -2.437 1.00 0.00 C ATOM 705 C SER B 168 -2.375 31.427 -3.642 1.00 0.00 C ATOM 706 O SER B 168 -1.310 31.834 -4.063 1.00 0.00 O ATOM 707 CB SER B 168 -2.039 32.310 -1.313 1.00 0.00 C ATOM 708 OG SER B 168 -0.982 33.135 -1.783 1.00 0.00 O ATOM 0 H SER B 168 -3.958 30.213 -1.992 1.00 0.00 H new ATOM 0 HA SER B 168 -3.473 33.032 -2.802 1.00 0.00 H new ATOM 0 HB2 SER B 168 -2.524 32.775 -0.455 1.00 0.00 H new ATOM 0 HB3 SER B 168 -1.645 31.351 -0.976 1.00 0.00 H new ATOM 0 HG SER B 168 -0.821 32.951 -2.732 1.00 0.00 H new ATOM 714 N LYS B 169 -2.981 30.401 -4.203 1.00 0.00 N ATOM 715 CA LYS B 169 -2.376 29.701 -5.382 1.00 0.00 C ATOM 716 C LYS B 169 -0.911 29.339 -5.116 1.00 0.00 C ATOM 717 O LYS B 169 -0.118 29.214 -6.030 1.00 0.00 O ATOM 718 CB LYS B 169 -2.482 30.695 -6.539 1.00 0.00 C ATOM 719 CG LYS B 169 -2.342 29.950 -7.867 1.00 0.00 C ATOM 720 CD LYS B 169 -3.650 29.224 -8.185 1.00 0.00 C ATOM 721 CE LYS B 169 -3.420 28.235 -9.330 1.00 0.00 C ATOM 722 NZ LYS B 169 -4.765 27.662 -9.618 1.00 0.00 N ATOM 0 H LYS B 169 -3.874 30.019 -3.891 1.00 0.00 H new ATOM 0 HA LYS B 169 -2.890 28.764 -5.598 1.00 0.00 H new ATOM 0 HB2 LYS B 169 -3.440 31.214 -6.500 1.00 0.00 H new ATOM 0 HB3 LYS B 169 -1.705 31.454 -6.452 1.00 0.00 H new ATOM 0 HG2 LYS B 169 -2.099 30.651 -8.666 1.00 0.00 H new ATOM 0 HG3 LYS B 169 -1.521 29.235 -7.810 1.00 0.00 H new ATOM 0 HD2 LYS B 169 -4.010 28.697 -7.301 1.00 0.00 H new ATOM 0 HD3 LYS B 169 -4.420 29.944 -8.462 1.00 0.00 H new ATOM 0 HE2 LYS B 169 -3.007 28.735 -10.207 1.00 0.00 H new ATOM 0 HE3 LYS B 169 -2.712 27.457 -9.044 1.00 0.00 H new ATOM 0 HZ1 LYS B 169 -4.690 26.973 -10.394 1.00 0.00 H new ATOM 0 HZ2 LYS B 169 -5.129 27.187 -8.767 1.00 0.00 H new ATOM 0 HZ3 LYS B 169 -5.416 28.425 -9.894 1.00 0.00 H new ATOM 736 N GLU B 170 -0.552 29.171 -3.869 1.00 0.00 N ATOM 737 CA GLU B 170 0.858 28.817 -3.536 1.00 0.00 C ATOM 738 C GLU B 170 0.920 28.074 -2.203 1.00 0.00 C ATOM 739 O GLU B 170 1.590 27.065 -2.081 1.00 0.00 O ATOM 740 CB GLU B 170 1.593 30.155 -3.443 1.00 0.00 C ATOM 741 CG GLU B 170 3.104 29.909 -3.445 1.00 0.00 C ATOM 742 CD GLU B 170 3.821 31.144 -3.992 1.00 0.00 C ATOM 743 OE1 GLU B 170 3.478 32.238 -3.576 1.00 0.00 O ATOM 744 OE2 GLU B 170 4.703 30.974 -4.818 1.00 0.00 O ATOM 0 H GLU B 170 -1.176 29.264 -3.067 1.00 0.00 H new ATOM 0 HA GLU B 170 1.304 28.159 -4.282 1.00 0.00 H new ATOM 0 HB2 GLU B 170 1.317 30.793 -4.283 1.00 0.00 H new ATOM 0 HB3 GLU B 170 1.301 30.680 -2.534 1.00 0.00 H new ATOM 0 HG2 GLU B 170 3.449 29.693 -2.434 1.00 0.00 H new ATOM 0 HG3 GLU B 170 3.341 29.038 -4.056 1.00 0.00 H new ATOM 751 N GLU B 171 0.224 28.559 -1.207 1.00 0.00 N ATOM 752 CA GLU B 171 0.241 27.872 0.115 1.00 0.00 C ATOM 753 C GLU B 171 -0.604 26.599 0.038 1.00 0.00 C ATOM 754 O GLU B 171 -0.328 25.618 0.702 1.00 0.00 O ATOM 755 CB GLU B 171 -0.358 28.874 1.113 1.00 0.00 C ATOM 756 CG GLU B 171 0.683 29.232 2.178 1.00 0.00 C ATOM 757 CD GLU B 171 1.787 30.083 1.549 1.00 0.00 C ATOM 758 OE1 GLU B 171 2.202 29.763 0.447 1.00 0.00 O ATOM 759 OE2 GLU B 171 2.200 31.043 2.180 1.00 0.00 O ATOM 0 H GLU B 171 -0.353 29.399 -1.254 1.00 0.00 H new ATOM 0 HA GLU B 171 1.245 27.576 0.418 1.00 0.00 H new ATOM 0 HB2 GLU B 171 -0.680 29.774 0.589 1.00 0.00 H new ATOM 0 HB3 GLU B 171 -1.242 28.446 1.585 1.00 0.00 H new ATOM 0 HG2 GLU B 171 0.210 29.777 2.995 1.00 0.00 H new ATOM 0 HG3 GLU B 171 1.108 28.324 2.605 1.00 0.00 H new ATOM 766 N LEU B 172 -1.621 26.609 -0.785 1.00 0.00 N ATOM 767 CA LEU B 172 -2.484 25.400 -0.932 1.00 0.00 C ATOM 768 C LEU B 172 -1.793 24.384 -1.843 1.00 0.00 C ATOM 769 O LEU B 172 -1.974 23.189 -1.705 1.00 0.00 O ATOM 770 CB LEU B 172 -3.779 25.906 -1.572 1.00 0.00 C ATOM 771 CG LEU B 172 -4.928 24.964 -1.210 1.00 0.00 C ATOM 772 CD1 LEU B 172 -6.253 25.726 -1.275 1.00 0.00 C ATOM 773 CD2 LEU B 172 -4.962 23.799 -2.203 1.00 0.00 C ATOM 0 H LEU B 172 -1.891 27.405 -1.363 1.00 0.00 H new ATOM 0 HA LEU B 172 -2.675 24.905 0.020 1.00 0.00 H new ATOM 0 HB2 LEU B 172 -3.999 26.915 -1.224 1.00 0.00 H new ATOM 0 HB3 LEU B 172 -3.666 25.959 -2.655 1.00 0.00 H new ATOM 0 HG LEU B 172 -4.779 24.580 -0.201 1.00 0.00 H new ATOM 0 HD11 LEU B 172 -7.072 25.055 -1.017 1.00 0.00 H new ATOM 0 HD12 LEU B 172 -6.230 26.557 -0.570 1.00 0.00 H new ATOM 0 HD13 LEU B 172 -6.403 26.110 -2.284 1.00 0.00 H new ATOM 0 HD21 LEU B 172 -5.780 23.126 -1.947 1.00 0.00 H new ATOM 0 HD22 LEU B 172 -5.112 24.185 -3.211 1.00 0.00 H new ATOM 0 HD23 LEU B 172 -4.018 23.256 -2.159 1.00 0.00 H new ATOM 785 N ILE B 173 -0.992 24.856 -2.766 1.00 0.00 N ATOM 786 CA ILE B 173 -0.271 23.928 -3.685 1.00 0.00 C ATOM 787 C ILE B 173 0.916 23.321 -2.932 1.00 0.00 C ATOM 788 O ILE B 173 1.263 22.171 -3.124 1.00 0.00 O ATOM 789 CB ILE B 173 0.177 24.804 -4.873 1.00 0.00 C ATOM 790 CG1 ILE B 173 -1.036 25.123 -5.754 1.00 0.00 C ATOM 791 CG2 ILE B 173 1.220 24.069 -5.728 1.00 0.00 C ATOM 792 CD1 ILE B 173 -1.914 26.176 -5.074 1.00 0.00 C ATOM 0 H ILE B 173 -0.807 25.847 -2.921 1.00 0.00 H new ATOM 0 HA ILE B 173 -0.881 23.097 -4.039 1.00 0.00 H new ATOM 0 HB ILE B 173 0.617 25.720 -4.478 1.00 0.00 H new ATOM 0 HG12 ILE B 173 -0.704 25.487 -6.726 1.00 0.00 H new ATOM 0 HG13 ILE B 173 -1.614 24.216 -5.934 1.00 0.00 H new ATOM 0 HG21 ILE B 173 1.522 24.705 -6.560 1.00 0.00 H new ATOM 0 HG22 ILE B 173 2.091 23.834 -5.117 1.00 0.00 H new ATOM 0 HG23 ILE B 173 0.788 23.146 -6.115 1.00 0.00 H new ATOM 0 HD11 ILE B 173 -2.774 26.397 -5.707 1.00 0.00 H new ATOM 0 HD12 ILE B 173 -2.259 25.796 -4.113 1.00 0.00 H new ATOM 0 HD13 ILE B 173 -1.335 27.086 -4.918 1.00 0.00 H new ATOM 804 N GLN B 174 1.521 24.086 -2.060 1.00 0.00 N ATOM 805 CA GLN B 174 2.669 23.556 -1.269 1.00 0.00 C ATOM 806 C GLN B 174 2.168 22.442 -0.355 1.00 0.00 C ATOM 807 O GLN B 174 2.861 21.475 -0.096 1.00 0.00 O ATOM 808 CB GLN B 174 3.186 24.741 -0.450 1.00 0.00 C ATOM 809 CG GLN B 174 4.325 25.427 -1.205 1.00 0.00 C ATOM 810 CD GLN B 174 4.797 26.651 -0.419 1.00 0.00 C ATOM 811 OE1 GLN B 174 4.463 27.770 -0.755 1.00 0.00 O ATOM 812 NE2 GLN B 174 5.566 26.485 0.623 1.00 0.00 N ATOM 0 H GLN B 174 1.269 25.054 -1.862 1.00 0.00 H new ATOM 0 HA GLN B 174 3.458 23.141 -1.896 1.00 0.00 H new ATOM 0 HB2 GLN B 174 2.378 25.450 -0.267 1.00 0.00 H new ATOM 0 HB3 GLN B 174 3.536 24.398 0.524 1.00 0.00 H new ATOM 0 HG2 GLN B 174 5.152 24.731 -1.346 1.00 0.00 H new ATOM 0 HG3 GLN B 174 3.988 25.727 -2.197 1.00 0.00 H new ATOM 0 HE21 GLN B 174 5.847 25.546 0.905 1.00 0.00 H new ATOM 0 HE22 GLN B 174 5.886 27.294 1.155 1.00 0.00 H new ATOM 821 N ASN B 175 0.954 22.567 0.117 1.00 0.00 N ATOM 822 CA ASN B 175 0.377 21.512 1.000 1.00 0.00 C ATOM 823 C ASN B 175 -0.016 20.307 0.148 1.00 0.00 C ATOM 824 O ASN B 175 0.122 19.171 0.559 1.00 0.00 O ATOM 825 CB ASN B 175 -0.858 22.148 1.640 1.00 0.00 C ATOM 826 CG ASN B 175 -0.436 23.353 2.484 1.00 0.00 C ATOM 827 OD1 ASN B 175 0.691 23.431 2.933 1.00 0.00 O ATOM 828 ND2 ASN B 175 -1.299 24.303 2.718 1.00 0.00 N ATOM 0 H ASN B 175 0.337 23.357 -0.072 1.00 0.00 H new ATOM 0 HA ASN B 175 1.080 21.166 1.758 1.00 0.00 H new ATOM 0 HB2 ASN B 175 -1.560 22.461 0.867 1.00 0.00 H new ATOM 0 HB3 ASN B 175 -1.374 21.418 2.263 1.00 0.00 H new ATOM 0 HD21 ASN B 175 -1.028 25.111 3.278 1.00 0.00 H new ATOM 0 HD22 ASN B 175 -2.245 24.237 2.341 1.00 0.00 H new ATOM 835 N MET B 176 -0.496 20.553 -1.045 1.00 0.00 N ATOM 836 CA MET B 176 -0.892 19.430 -1.945 1.00 0.00 C ATOM 837 C MET B 176 0.351 18.654 -2.383 1.00 0.00 C ATOM 838 O MET B 176 0.297 17.460 -2.616 1.00 0.00 O ATOM 839 CB MET B 176 -1.565 20.095 -3.151 1.00 0.00 C ATOM 840 CG MET B 176 -3.093 20.004 -3.013 1.00 0.00 C ATOM 841 SD MET B 176 -3.753 18.787 -4.181 1.00 0.00 S ATOM 842 CE MET B 176 -4.901 19.898 -5.032 1.00 0.00 C ATOM 0 H MET B 176 -0.631 21.486 -1.434 1.00 0.00 H new ATOM 0 HA MET B 176 -1.559 18.721 -1.454 1.00 0.00 H new ATOM 0 HB2 MET B 176 -1.259 21.139 -3.220 1.00 0.00 H new ATOM 0 HB3 MET B 176 -1.245 19.608 -4.072 1.00 0.00 H new ATOM 0 HG2 MET B 176 -3.358 19.722 -1.994 1.00 0.00 H new ATOM 0 HG3 MET B 176 -3.541 20.980 -3.200 1.00 0.00 H new ATOM 0 HE1 MET B 176 -5.117 19.506 -6.026 1.00 0.00 H new ATOM 0 HE2 MET B 176 -5.827 19.971 -4.461 1.00 0.00 H new ATOM 0 HE3 MET B 176 -4.451 20.887 -5.122 1.00 0.00 H new ATOM 852 N ASP B 177 1.470 19.324 -2.488 1.00 0.00 N ATOM 853 CA ASP B 177 2.726 18.632 -2.903 1.00 0.00 C ATOM 854 C ASP B 177 3.267 17.804 -1.737 1.00 0.00 C ATOM 855 O ASP B 177 3.826 16.739 -1.925 1.00 0.00 O ATOM 856 CB ASP B 177 3.703 19.749 -3.269 1.00 0.00 C ATOM 857 CG ASP B 177 4.815 19.186 -4.155 1.00 0.00 C ATOM 858 OD1 ASP B 177 5.214 18.056 -3.924 1.00 0.00 O ATOM 859 OD2 ASP B 177 5.249 19.892 -5.050 1.00 0.00 O ATOM 0 H ASP B 177 1.568 20.322 -2.304 1.00 0.00 H new ATOM 0 HA ASP B 177 2.568 17.951 -3.739 1.00 0.00 H new ATOM 0 HB2 ASP B 177 3.178 20.549 -3.791 1.00 0.00 H new ATOM 0 HB3 ASP B 177 4.129 20.184 -2.365 1.00 0.00 H new ATOM 864 N ARG B 178 3.095 18.286 -0.535 1.00 0.00 N ATOM 865 CA ARG B 178 3.585 17.531 0.658 1.00 0.00 C ATOM 866 C ARG B 178 2.742 16.268 0.849 1.00 0.00 C ATOM 867 O ARG B 178 3.218 15.263 1.342 1.00 0.00 O ATOM 868 CB ARG B 178 3.408 18.484 1.846 1.00 0.00 C ATOM 869 CG ARG B 178 4.769 19.057 2.263 1.00 0.00 C ATOM 870 CD ARG B 178 5.277 18.328 3.510 1.00 0.00 C ATOM 871 NE ARG B 178 5.763 17.011 3.015 1.00 0.00 N ATOM 872 CZ ARG B 178 6.801 16.447 3.573 1.00 0.00 C ATOM 873 NH1 ARG B 178 7.955 17.057 3.569 1.00 0.00 N ATOM 874 NH2 ARG B 178 6.684 15.275 4.134 1.00 0.00 N ATOM 0 H ARG B 178 2.635 19.172 -0.326 1.00 0.00 H new ATOM 0 HA ARG B 178 4.623 17.216 0.552 1.00 0.00 H new ATOM 0 HB2 ARG B 178 2.730 19.294 1.576 1.00 0.00 H new ATOM 0 HB3 ARG B 178 2.954 17.954 2.684 1.00 0.00 H new ATOM 0 HG2 ARG B 178 5.485 18.947 1.449 1.00 0.00 H new ATOM 0 HG3 ARG B 178 4.678 20.124 2.466 1.00 0.00 H new ATOM 0 HD2 ARG B 178 6.077 18.887 3.995 1.00 0.00 H new ATOM 0 HD3 ARG B 178 4.483 18.204 4.246 1.00 0.00 H new ATOM 0 HE ARG B 178 5.286 16.549 2.241 1.00 0.00 H new ATOM 0 HH11 ARG B 178 8.046 17.973 3.130 1.00 0.00 H new ATOM 0 HH12 ARG B 178 8.766 16.617 4.004 1.00 0.00 H new ATOM 0 HH21 ARG B 178 5.782 14.799 4.137 1.00 0.00 H new ATOM 0 HH22 ARG B 178 7.495 14.835 4.570 1.00 0.00 H new ATOM 888 N VAL B 179 1.495 16.316 0.454 1.00 0.00 N ATOM 889 CA VAL B 179 0.612 15.120 0.602 1.00 0.00 C ATOM 890 C VAL B 179 1.110 13.995 -0.309 1.00 0.00 C ATOM 891 O VAL B 179 0.984 12.827 0.008 1.00 0.00 O ATOM 892 CB VAL B 179 -0.784 15.590 0.173 1.00 0.00 C ATOM 893 CG1 VAL B 179 -1.775 14.425 0.264 1.00 0.00 C ATOM 894 CG2 VAL B 179 -1.248 16.724 1.093 1.00 0.00 C ATOM 0 H VAL B 179 1.050 17.133 0.035 1.00 0.00 H new ATOM 0 HA VAL B 179 0.605 14.731 1.620 1.00 0.00 H new ATOM 0 HB VAL B 179 -0.741 15.948 -0.856 1.00 0.00 H new ATOM 0 HG11 VAL B 179 -2.765 14.764 -0.042 1.00 0.00 H new ATOM 0 HG12 VAL B 179 -1.449 13.618 -0.392 1.00 0.00 H new ATOM 0 HG13 VAL B 179 -1.817 14.062 1.291 1.00 0.00 H new ATOM 0 HG21 VAL B 179 -2.240 17.057 0.788 1.00 0.00 H new ATOM 0 HG22 VAL B 179 -1.286 16.365 2.122 1.00 0.00 H new ATOM 0 HG23 VAL B 179 -0.548 17.557 1.025 1.00 0.00 H new ATOM 904 N ASP B 180 1.676 14.344 -1.434 1.00 0.00 N ATOM 905 CA ASP B 180 2.189 13.301 -2.373 1.00 0.00 C ATOM 906 C ASP B 180 3.353 12.547 -1.729 1.00 0.00 C ATOM 907 O ASP B 180 3.439 11.336 -1.808 1.00 0.00 O ATOM 908 CB ASP B 180 2.664 14.066 -3.611 1.00 0.00 C ATOM 909 CG ASP B 180 1.452 14.590 -4.383 1.00 0.00 C ATOM 910 OD1 ASP B 180 0.497 14.998 -3.743 1.00 0.00 O ATOM 911 OD2 ASP B 180 1.500 14.574 -5.603 1.00 0.00 O ATOM 0 H ASP B 180 1.806 15.307 -1.744 1.00 0.00 H new ATOM 0 HA ASP B 180 1.427 12.564 -2.625 1.00 0.00 H new ATOM 0 HB2 ASP B 180 3.306 14.895 -3.315 1.00 0.00 H new ATOM 0 HB3 ASP B 180 3.260 13.413 -4.249 1.00 0.00 H new ATOM 916 N ARG B 181 4.241 13.258 -1.089 1.00 0.00 N ATOM 917 CA ARG B 181 5.407 12.594 -0.428 1.00 0.00 C ATOM 918 C ARG B 181 4.916 11.642 0.664 1.00 0.00 C ATOM 919 O ARG B 181 5.503 10.603 0.904 1.00 0.00 O ATOM 920 CB ARG B 181 6.231 13.731 0.181 1.00 0.00 C ATOM 921 CG ARG B 181 7.722 13.422 0.026 1.00 0.00 C ATOM 922 CD ARG B 181 8.251 14.074 -1.255 1.00 0.00 C ATOM 923 NE ARG B 181 8.929 15.319 -0.800 1.00 0.00 N ATOM 924 CZ ARG B 181 8.221 16.353 -0.436 1.00 0.00 C ATOM 925 NH1 ARG B 181 7.687 17.129 -1.340 1.00 0.00 N ATOM 926 NH2 ARG B 181 8.047 16.611 0.831 1.00 0.00 N ATOM 0 H ARG B 181 4.211 14.273 -0.994 1.00 0.00 H new ATOM 0 HA ARG B 181 5.996 12.003 -1.130 1.00 0.00 H new ATOM 0 HB2 ARG B 181 5.991 14.673 -0.312 1.00 0.00 H new ATOM 0 HB3 ARG B 181 5.981 13.851 1.235 1.00 0.00 H new ATOM 0 HG2 ARG B 181 8.273 13.794 0.890 1.00 0.00 H new ATOM 0 HG3 ARG B 181 7.878 12.344 -0.011 1.00 0.00 H new ATOM 0 HD2 ARG B 181 8.945 13.414 -1.776 1.00 0.00 H new ATOM 0 HD3 ARG B 181 7.440 14.297 -1.949 1.00 0.00 H new ATOM 0 HE ARG B 181 9.948 15.364 -0.773 1.00 0.00 H new ATOM 0 HH11 ARG B 181 7.823 16.927 -2.330 1.00 0.00 H new ATOM 0 HH12 ARG B 181 7.134 17.937 -1.056 1.00 0.00 H new ATOM 0 HH21 ARG B 181 8.464 16.005 1.537 1.00 0.00 H new ATOM 0 HH22 ARG B 181 7.494 17.419 1.116 1.00 0.00 H new ATOM 940 N GLU B 182 3.841 11.989 1.325 1.00 0.00 N ATOM 941 CA GLU B 182 3.301 11.106 2.404 1.00 0.00 C ATOM 942 C GLU B 182 2.686 9.851 1.788 1.00 0.00 C ATOM 943 O GLU B 182 2.928 8.746 2.237 1.00 0.00 O ATOM 944 CB GLU B 182 2.233 11.938 3.115 1.00 0.00 C ATOM 945 CG GLU B 182 1.858 11.265 4.436 1.00 0.00 C ATOM 946 CD GLU B 182 2.849 11.686 5.523 1.00 0.00 C ATOM 947 OE1 GLU B 182 3.984 11.242 5.465 1.00 0.00 O ATOM 948 OE2 GLU B 182 2.455 12.444 6.394 1.00 0.00 O ATOM 0 H GLU B 182 3.313 12.847 1.164 1.00 0.00 H new ATOM 0 HA GLU B 182 4.077 10.778 3.096 1.00 0.00 H new ATOM 0 HB2 GLU B 182 2.606 12.945 3.301 1.00 0.00 H new ATOM 0 HB3 GLU B 182 1.352 12.036 2.481 1.00 0.00 H new ATOM 0 HG2 GLU B 182 0.845 11.545 4.724 1.00 0.00 H new ATOM 0 HG3 GLU B 182 1.868 10.181 4.320 1.00 0.00 H new ATOM 955 N ILE B 183 1.901 10.015 0.757 1.00 0.00 N ATOM 956 CA ILE B 183 1.272 8.833 0.095 1.00 0.00 C ATOM 957 C ILE B 183 2.350 8.024 -0.631 1.00 0.00 C ATOM 958 O ILE B 183 2.244 6.819 -0.769 1.00 0.00 O ATOM 959 CB ILE B 183 0.254 9.409 -0.897 1.00 0.00 C ATOM 960 CG1 ILE B 183 -0.777 10.252 -0.135 1.00 0.00 C ATOM 961 CG2 ILE B 183 -0.464 8.264 -1.621 1.00 0.00 C ATOM 962 CD1 ILE B 183 -1.727 10.928 -1.127 1.00 0.00 C ATOM 0 H ILE B 183 1.667 10.918 0.343 1.00 0.00 H new ATOM 0 HA ILE B 183 0.788 8.163 0.806 1.00 0.00 H new ATOM 0 HB ILE B 183 0.772 10.032 -1.627 1.00 0.00 H new ATOM 0 HG12 ILE B 183 -1.342 9.620 0.551 1.00 0.00 H new ATOM 0 HG13 ILE B 183 -0.270 11.005 0.469 1.00 0.00 H new ATOM 0 HG21 ILE B 183 -1.187 8.676 -2.325 1.00 0.00 H new ATOM 0 HG22 ILE B 183 0.266 7.661 -2.161 1.00 0.00 H new ATOM 0 HG23 ILE B 183 -0.982 7.641 -0.892 1.00 0.00 H new ATOM 0 HD11 ILE B 183 -2.458 11.526 -0.582 1.00 0.00 H new ATOM 0 HD12 ILE B 183 -1.157 11.573 -1.795 1.00 0.00 H new ATOM 0 HD13 ILE B 183 -2.244 10.167 -1.711 1.00 0.00 H new ATOM 974 N THR B 184 3.391 8.678 -1.082 1.00 0.00 N ATOM 975 CA THR B 184 4.488 7.951 -1.787 1.00 0.00 C ATOM 976 C THR B 184 5.256 7.090 -0.782 1.00 0.00 C ATOM 977 O THR B 184 5.746 6.027 -1.110 1.00 0.00 O ATOM 978 CB THR B 184 5.392 9.042 -2.370 1.00 0.00 C ATOM 979 OG1 THR B 184 4.635 9.862 -3.248 1.00 0.00 O ATOM 980 CG2 THR B 184 6.546 8.399 -3.140 1.00 0.00 C ATOM 0 H THR B 184 3.528 9.685 -0.992 1.00 0.00 H new ATOM 0 HA THR B 184 4.116 7.288 -2.567 1.00 0.00 H new ATOM 0 HB THR B 184 5.795 9.649 -1.559 1.00 0.00 H new ATOM 0 HG1 THR B 184 4.463 10.727 -2.821 1.00 0.00 H new ATOM 0 HG21 THR B 184 7.187 9.178 -3.553 1.00 0.00 H new ATOM 0 HG22 THR B 184 7.128 7.770 -2.466 1.00 0.00 H new ATOM 0 HG23 THR B 184 6.147 7.789 -3.951 1.00 0.00 H new ATOM 988 N MET B 185 5.354 7.543 0.445 1.00 0.00 N ATOM 989 CA MET B 185 6.081 6.748 1.481 1.00 0.00 C ATOM 990 C MET B 185 5.275 5.499 1.833 1.00 0.00 C ATOM 991 O MET B 185 5.796 4.399 1.858 1.00 0.00 O ATOM 992 CB MET B 185 6.198 7.673 2.695 1.00 0.00 C ATOM 993 CG MET B 185 7.540 7.437 3.390 1.00 0.00 C ATOM 994 SD MET B 185 7.428 7.975 5.114 1.00 0.00 S ATOM 995 CE MET B 185 8.146 9.621 4.886 1.00 0.00 C ATOM 0 H MET B 185 4.963 8.426 0.772 1.00 0.00 H new ATOM 0 HA MET B 185 7.060 6.415 1.136 1.00 0.00 H new ATOM 0 HB2 MET B 185 6.117 8.714 2.381 1.00 0.00 H new ATOM 0 HB3 MET B 185 5.379 7.485 3.389 1.00 0.00 H new ATOM 0 HG2 MET B 185 7.805 6.381 3.344 1.00 0.00 H new ATOM 0 HG3 MET B 185 8.329 7.986 2.877 1.00 0.00 H new ATOM 0 HE1 MET B 185 8.175 10.141 5.843 1.00 0.00 H new ATOM 0 HE2 MET B 185 9.159 9.525 4.495 1.00 0.00 H new ATOM 0 HE3 MET B 185 7.538 10.189 4.182 1.00 0.00 H new ATOM 1005 N VAL B 186 4.002 5.660 2.092 1.00 0.00 N ATOM 1006 CA VAL B 186 3.148 4.481 2.430 1.00 0.00 C ATOM 1007 C VAL B 186 2.964 3.614 1.184 1.00 0.00 C ATOM 1008 O VAL B 186 2.840 2.406 1.269 1.00 0.00 O ATOM 1009 CB VAL B 186 1.806 5.064 2.891 1.00 0.00 C ATOM 1010 CG1 VAL B 186 0.856 3.928 3.274 1.00 0.00 C ATOM 1011 CG2 VAL B 186 2.031 5.965 4.109 1.00 0.00 C ATOM 0 H VAL B 186 3.517 6.557 2.084 1.00 0.00 H new ATOM 0 HA VAL B 186 3.590 3.853 3.203 1.00 0.00 H new ATOM 0 HB VAL B 186 1.370 5.646 2.079 1.00 0.00 H new ATOM 0 HG11 VAL B 186 -0.097 4.345 3.601 1.00 0.00 H new ATOM 0 HG12 VAL B 186 0.693 3.284 2.410 1.00 0.00 H new ATOM 0 HG13 VAL B 186 1.294 3.345 4.084 1.00 0.00 H new ATOM 0 HG21 VAL B 186 1.077 6.379 4.436 1.00 0.00 H new ATOM 0 HG22 VAL B 186 2.470 5.381 4.918 1.00 0.00 H new ATOM 0 HG23 VAL B 186 2.706 6.777 3.841 1.00 0.00 H new ATOM 1021 N GLU B 187 2.958 4.226 0.028 1.00 0.00 N ATOM 1022 CA GLU B 187 2.794 3.448 -1.236 1.00 0.00 C ATOM 1023 C GLU B 187 4.087 2.693 -1.550 1.00 0.00 C ATOM 1024 O GLU B 187 4.068 1.633 -2.147 1.00 0.00 O ATOM 1025 CB GLU B 187 2.505 4.490 -2.319 1.00 0.00 C ATOM 1026 CG GLU B 187 2.240 3.784 -3.650 1.00 0.00 C ATOM 1027 CD GLU B 187 2.340 4.795 -4.794 1.00 0.00 C ATOM 1028 OE1 GLU B 187 1.665 5.809 -4.722 1.00 0.00 O ATOM 1029 OE2 GLU B 187 3.090 4.539 -5.721 1.00 0.00 O ATOM 0 H GLU B 187 3.060 5.233 -0.095 1.00 0.00 H new ATOM 0 HA GLU B 187 1.995 2.710 -1.167 1.00 0.00 H new ATOM 0 HB2 GLU B 187 1.642 5.093 -2.037 1.00 0.00 H new ATOM 0 HB3 GLU B 187 3.351 5.171 -2.418 1.00 0.00 H new ATOM 0 HG2 GLU B 187 2.961 2.980 -3.797 1.00 0.00 H new ATOM 0 HG3 GLU B 187 1.251 3.327 -3.640 1.00 0.00 H new ATOM 1036 N GLN B 188 5.210 3.232 -1.142 1.00 0.00 N ATOM 1037 CA GLN B 188 6.511 2.546 -1.404 1.00 0.00 C ATOM 1038 C GLN B 188 6.616 1.287 -0.543 1.00 0.00 C ATOM 1039 O GLN B 188 7.232 0.310 -0.928 1.00 0.00 O ATOM 1040 CB GLN B 188 7.591 3.558 -1.010 1.00 0.00 C ATOM 1041 CG GLN B 188 8.956 3.073 -1.510 1.00 0.00 C ATOM 1042 CD GLN B 188 9.313 3.783 -2.819 1.00 0.00 C ATOM 1043 OE1 GLN B 188 10.457 4.123 -3.046 1.00 0.00 O ATOM 1044 NE2 GLN B 188 8.376 4.023 -3.697 1.00 0.00 N ATOM 0 H GLN B 188 5.281 4.117 -0.639 1.00 0.00 H new ATOM 0 HA GLN B 188 6.612 2.236 -2.444 1.00 0.00 H new ATOM 0 HB2 GLN B 188 7.362 4.534 -1.437 1.00 0.00 H new ATOM 0 HB3 GLN B 188 7.611 3.680 0.073 1.00 0.00 H new ATOM 0 HG2 GLN B 188 9.720 3.271 -0.758 1.00 0.00 H new ATOM 0 HG3 GLN B 188 8.934 1.994 -1.665 1.00 0.00 H new ATOM 0 HE21 GLN B 188 7.415 3.738 -3.508 1.00 0.00 H new ATOM 0 HE22 GLN B 188 8.605 4.495 -4.572 1.00 0.00 H new ATOM 1053 N GLN B 189 6.010 1.304 0.616 1.00 0.00 N ATOM 1054 CA GLN B 189 6.061 0.108 1.510 1.00 0.00 C ATOM 1055 C GLN B 189 5.174 -0.999 0.938 1.00 0.00 C ATOM 1056 O GLN B 189 5.507 -2.168 0.999 1.00 0.00 O ATOM 1057 CB GLN B 189 5.525 0.589 2.863 1.00 0.00 C ATOM 1058 CG GLN B 189 6.429 0.079 3.990 1.00 0.00 C ATOM 1059 CD GLN B 189 7.408 1.180 4.406 1.00 0.00 C ATOM 1060 OE1 GLN B 189 7.682 1.355 5.576 1.00 0.00 O ATOM 1061 NE2 GLN B 189 7.950 1.936 3.489 1.00 0.00 N ATOM 0 H GLN B 189 5.481 2.095 0.983 1.00 0.00 H new ATOM 0 HA GLN B 189 7.067 -0.300 1.604 1.00 0.00 H new ATOM 0 HB2 GLN B 189 5.484 1.678 2.882 1.00 0.00 H new ATOM 0 HB3 GLN B 189 4.507 0.229 3.010 1.00 0.00 H new ATOM 0 HG2 GLN B 189 5.824 -0.225 4.845 1.00 0.00 H new ATOM 0 HG3 GLN B 189 6.978 -0.802 3.658 1.00 0.00 H new ATOM 0 HE21 GLN B 189 7.720 1.790 2.506 1.00 0.00 H new ATOM 0 HE22 GLN B 189 8.603 2.673 3.756 1.00 0.00 H new ATOM 1070 N ILE B 190 4.050 -0.634 0.375 1.00 0.00 N ATOM 1071 CA ILE B 190 3.137 -1.659 -0.215 1.00 0.00 C ATOM 1072 C ILE B 190 3.783 -2.259 -1.465 1.00 0.00 C ATOM 1073 O ILE B 190 3.584 -3.415 -1.785 1.00 0.00 O ATOM 1074 CB ILE B 190 1.851 -0.906 -0.574 1.00 0.00 C ATOM 1075 CG1 ILE B 190 1.255 -0.281 0.691 1.00 0.00 C ATOM 1076 CG2 ILE B 190 0.838 -1.879 -1.183 1.00 0.00 C ATOM 1077 CD1 ILE B 190 0.054 0.590 0.318 1.00 0.00 C ATOM 0 H ILE B 190 3.725 0.330 0.299 1.00 0.00 H new ATOM 0 HA ILE B 190 2.934 -2.480 0.472 1.00 0.00 H new ATOM 0 HB ILE B 190 2.082 -0.123 -1.296 1.00 0.00 H new ATOM 0 HG12 ILE B 190 0.948 -1.063 1.385 1.00 0.00 H new ATOM 0 HG13 ILE B 190 2.008 0.320 1.201 1.00 0.00 H new ATOM 0 HG21 ILE B 190 -0.075 -1.341 -1.437 1.00 0.00 H new ATOM 0 HG22 ILE B 190 1.259 -2.326 -2.084 1.00 0.00 H new ATOM 0 HG23 ILE B 190 0.608 -2.664 -0.462 1.00 0.00 H new ATOM 0 HD11 ILE B 190 -0.368 1.033 1.220 1.00 0.00 H new ATOM 0 HD12 ILE B 190 0.375 1.381 -0.359 1.00 0.00 H new ATOM 0 HD13 ILE B 190 -0.702 -0.023 -0.173 1.00 0.00 H new ATOM 1089 N SER B 191 4.567 -1.477 -2.165 1.00 0.00 N ATOM 1090 CA SER B 191 5.243 -1.993 -3.394 1.00 0.00 C ATOM 1091 C SER B 191 6.273 -3.055 -3.006 1.00 0.00 C ATOM 1092 O SER B 191 6.394 -4.080 -3.652 1.00 0.00 O ATOM 1093 CB SER B 191 5.928 -0.777 -4.024 1.00 0.00 C ATOM 1094 OG SER B 191 5.611 -0.726 -5.409 1.00 0.00 O ATOM 0 H SER B 191 4.768 -0.503 -1.938 1.00 0.00 H new ATOM 0 HA SER B 191 4.544 -2.458 -4.089 1.00 0.00 H new ATOM 0 HB2 SER B 191 5.599 0.137 -3.530 1.00 0.00 H new ATOM 0 HB3 SER B 191 7.008 -0.842 -3.888 1.00 0.00 H new ATOM 0 HG SER B 191 6.046 0.052 -5.816 1.00 0.00 H new ATOM 1100 N LYS B 192 7.008 -2.819 -1.948 1.00 0.00 N ATOM 1101 CA LYS B 192 8.027 -3.818 -1.505 1.00 0.00 C ATOM 1102 C LYS B 192 7.323 -5.049 -0.933 1.00 0.00 C ATOM 1103 O LYS B 192 7.769 -6.167 -1.106 1.00 0.00 O ATOM 1104 CB LYS B 192 8.845 -3.110 -0.423 1.00 0.00 C ATOM 1105 CG LYS B 192 9.621 -1.948 -1.046 1.00 0.00 C ATOM 1106 CD LYS B 192 10.856 -1.643 -0.196 1.00 0.00 C ATOM 1107 CE LYS B 192 11.824 -0.767 -0.996 1.00 0.00 C ATOM 1108 NZ LYS B 192 11.135 0.547 -1.128 1.00 0.00 N ATOM 0 H LYS B 192 6.946 -1.979 -1.373 1.00 0.00 H new ATOM 0 HA LYS B 192 8.661 -4.158 -2.324 1.00 0.00 H new ATOM 0 HB2 LYS B 192 8.186 -2.741 0.363 1.00 0.00 H new ATOM 0 HB3 LYS B 192 9.535 -3.813 0.044 1.00 0.00 H new ATOM 0 HG2 LYS B 192 9.920 -2.201 -2.063 1.00 0.00 H new ATOM 0 HG3 LYS B 192 8.985 -1.065 -1.111 1.00 0.00 H new ATOM 0 HD2 LYS B 192 10.562 -1.134 0.722 1.00 0.00 H new ATOM 0 HD3 LYS B 192 11.347 -2.571 0.098 1.00 0.00 H new ATOM 0 HE2 LYS B 192 12.779 -0.662 -0.481 1.00 0.00 H new ATOM 0 HE3 LYS B 192 12.035 -1.202 -1.973 1.00 0.00 H new ATOM 0 HZ1 LYS B 192 11.841 1.295 -1.282 1.00 0.00 H new ATOM 0 HZ2 LYS B 192 10.481 0.516 -1.936 1.00 0.00 H new ATOM 0 HZ3 LYS B 192 10.602 0.748 -0.258 1.00 0.00 H new ATOM 1122 N LEU B 193 6.218 -4.846 -0.260 1.00 0.00 N ATOM 1123 CA LEU B 193 5.466 -6.000 0.318 1.00 0.00 C ATOM 1124 C LEU B 193 4.814 -6.802 -0.811 1.00 0.00 C ATOM 1125 O LEU B 193 4.655 -8.004 -0.720 1.00 0.00 O ATOM 1126 CB LEU B 193 4.399 -5.375 1.228 1.00 0.00 C ATOM 1127 CG LEU B 193 4.436 -6.047 2.604 1.00 0.00 C ATOM 1128 CD1 LEU B 193 4.117 -5.014 3.686 1.00 0.00 C ATOM 1129 CD2 LEU B 193 3.397 -7.171 2.651 1.00 0.00 C ATOM 0 H LEU B 193 5.804 -3.930 -0.086 1.00 0.00 H new ATOM 0 HA LEU B 193 6.109 -6.683 0.872 1.00 0.00 H new ATOM 0 HB2 LEU B 193 4.576 -4.304 1.331 1.00 0.00 H new ATOM 0 HB3 LEU B 193 3.412 -5.493 0.781 1.00 0.00 H new ATOM 0 HG LEU B 193 5.429 -6.461 2.779 1.00 0.00 H new ATOM 0 HD11 LEU B 193 4.143 -5.493 4.665 1.00 0.00 H new ATOM 0 HD12 LEU B 193 4.856 -4.213 3.654 1.00 0.00 H new ATOM 0 HD13 LEU B 193 3.124 -4.599 3.512 1.00 0.00 H new ATOM 0 HD21 LEU B 193 3.423 -7.650 3.630 1.00 0.00 H new ATOM 0 HD22 LEU B 193 2.404 -6.756 2.476 1.00 0.00 H new ATOM 0 HD23 LEU B 193 3.623 -7.908 1.881 1.00 0.00 H new ATOM 1141 N LYS B 194 4.444 -6.138 -1.880 1.00 0.00 N ATOM 1142 CA LYS B 194 3.811 -6.853 -3.029 1.00 0.00 C ATOM 1143 C LYS B 194 4.847 -7.743 -3.716 1.00 0.00 C ATOM 1144 O LYS B 194 4.563 -8.865 -4.091 1.00 0.00 O ATOM 1145 CB LYS B 194 3.331 -5.753 -3.978 1.00 0.00 C ATOM 1146 CG LYS B 194 2.102 -6.242 -4.748 1.00 0.00 C ATOM 1147 CD LYS B 194 0.847 -6.010 -3.904 1.00 0.00 C ATOM 1148 CE LYS B 194 -0.388 -6.458 -4.691 1.00 0.00 C ATOM 1149 NZ LYS B 194 -0.439 -7.935 -4.519 1.00 0.00 N ATOM 0 H LYS B 194 4.554 -5.132 -2.005 1.00 0.00 H new ATOM 0 HA LYS B 194 2.988 -7.496 -2.715 1.00 0.00 H new ATOM 0 HB2 LYS B 194 3.085 -4.853 -3.414 1.00 0.00 H new ATOM 0 HB3 LYS B 194 4.126 -5.486 -4.674 1.00 0.00 H new ATOM 0 HG2 LYS B 194 2.019 -5.711 -5.696 1.00 0.00 H new ATOM 0 HG3 LYS B 194 2.205 -7.301 -4.983 1.00 0.00 H new ATOM 0 HD2 LYS B 194 0.917 -6.566 -2.969 1.00 0.00 H new ATOM 0 HD3 LYS B 194 0.762 -4.955 -3.642 1.00 0.00 H new ATOM 0 HE2 LYS B 194 -1.293 -5.985 -4.309 1.00 0.00 H new ATOM 0 HE3 LYS B 194 -0.306 -6.186 -5.743 1.00 0.00 H new ATOM 0 HZ1 LYS B 194 -0.633 -8.385 -5.436 1.00 0.00 H new ATOM 0 HZ2 LYS B 194 0.474 -8.274 -4.153 1.00 0.00 H new ATOM 0 HZ3 LYS B 194 -1.194 -8.180 -3.847 1.00 0.00 H new ATOM 1163 N LYS B 195 6.050 -7.249 -3.874 1.00 0.00 N ATOM 1164 CA LYS B 195 7.117 -8.067 -4.528 1.00 0.00 C ATOM 1165 C LYS B 195 7.397 -9.311 -3.683 1.00 0.00 C ATOM 1166 O LYS B 195 7.731 -10.362 -4.199 1.00 0.00 O ATOM 1167 CB LYS B 195 8.350 -7.162 -4.578 1.00 0.00 C ATOM 1168 CG LYS B 195 9.287 -7.635 -5.691 1.00 0.00 C ATOM 1169 CD LYS B 195 8.851 -7.021 -7.022 1.00 0.00 C ATOM 1170 CE LYS B 195 9.270 -7.940 -8.171 1.00 0.00 C ATOM 1171 NZ LYS B 195 9.277 -7.069 -9.379 1.00 0.00 N ATOM 0 H LYS B 195 6.339 -6.316 -3.579 1.00 0.00 H new ATOM 0 HA LYS B 195 6.831 -8.405 -5.524 1.00 0.00 H new ATOM 0 HB2 LYS B 195 8.049 -6.130 -4.756 1.00 0.00 H new ATOM 0 HB3 LYS B 195 8.868 -7.182 -3.619 1.00 0.00 H new ATOM 0 HG2 LYS B 195 10.313 -7.346 -5.464 1.00 0.00 H new ATOM 0 HG3 LYS B 195 9.270 -8.723 -5.757 1.00 0.00 H new ATOM 0 HD2 LYS B 195 7.770 -6.879 -7.032 1.00 0.00 H new ATOM 0 HD3 LYS B 195 9.303 -6.037 -7.146 1.00 0.00 H new ATOM 0 HE2 LYS B 195 10.254 -8.373 -7.991 1.00 0.00 H new ATOM 0 HE3 LYS B 195 8.573 -8.770 -8.287 1.00 0.00 H new ATOM 0 HZ1 LYS B 195 9.555 -7.630 -10.210 1.00 0.00 H new ATOM 0 HZ2 LYS B 195 8.326 -6.676 -9.529 1.00 0.00 H new ATOM 0 HZ3 LYS B 195 9.955 -6.292 -9.243 1.00 0.00 H new ATOM 1185 N LYS B 196 7.247 -9.198 -2.388 1.00 0.00 N ATOM 1186 CA LYS B 196 7.485 -10.372 -1.494 1.00 0.00 C ATOM 1187 C LYS B 196 6.474 -11.471 -1.820 1.00 0.00 C ATOM 1188 O LYS B 196 6.789 -12.646 -1.796 1.00 0.00 O ATOM 1189 CB LYS B 196 7.276 -9.841 -0.070 1.00 0.00 C ATOM 1190 CG LYS B 196 7.470 -10.974 0.945 1.00 0.00 C ATOM 1191 CD LYS B 196 6.104 -11.536 1.357 1.00 0.00 C ATOM 1192 CE LYS B 196 5.305 -10.460 2.102 1.00 0.00 C ATOM 1193 NZ LYS B 196 5.392 -10.841 3.539 1.00 0.00 N ATOM 0 H LYS B 196 6.969 -8.341 -1.910 1.00 0.00 H new ATOM 0 HA LYS B 196 8.480 -10.801 -1.615 1.00 0.00 H new ATOM 0 HB2 LYS B 196 7.981 -9.035 0.133 1.00 0.00 H new ATOM 0 HB3 LYS B 196 6.275 -9.422 0.027 1.00 0.00 H new ATOM 0 HG2 LYS B 196 8.083 -11.764 0.511 1.00 0.00 H new ATOM 0 HG3 LYS B 196 8.001 -10.603 1.822 1.00 0.00 H new ATOM 0 HD2 LYS B 196 5.555 -11.865 0.475 1.00 0.00 H new ATOM 0 HD3 LYS B 196 6.237 -12.410 1.994 1.00 0.00 H new ATOM 0 HE2 LYS B 196 5.723 -9.468 1.931 1.00 0.00 H new ATOM 0 HE3 LYS B 196 4.269 -10.432 1.763 1.00 0.00 H new ATOM 0 HZ1 LYS B 196 4.840 -10.170 4.110 1.00 0.00 H new ATOM 0 HZ2 LYS B 196 5.011 -11.800 3.668 1.00 0.00 H new ATOM 0 HZ3 LYS B 196 6.386 -10.820 3.844 1.00 0.00 H new ATOM 1207 N GLN B 197 5.263 -11.090 -2.132 1.00 0.00 N ATOM 1208 CA GLN B 197 4.218 -12.102 -2.475 1.00 0.00 C ATOM 1209 C GLN B 197 4.636 -12.867 -3.732 1.00 0.00 C ATOM 1210 O GLN B 197 4.293 -14.021 -3.909 1.00 0.00 O ATOM 1211 CB GLN B 197 2.942 -11.297 -2.735 1.00 0.00 C ATOM 1212 CG GLN B 197 1.735 -12.236 -2.727 1.00 0.00 C ATOM 1213 CD GLN B 197 1.425 -12.658 -1.289 1.00 0.00 C ATOM 1214 OE1 GLN B 197 2.142 -13.448 -0.707 1.00 0.00 O ATOM 1215 NE2 GLN B 197 0.380 -12.160 -0.687 1.00 0.00 N ATOM 0 H GLN B 197 4.951 -10.119 -2.164 1.00 0.00 H new ATOM 0 HA GLN B 197 4.073 -12.834 -1.681 1.00 0.00 H new ATOM 0 HB2 GLN B 197 2.823 -10.528 -1.972 1.00 0.00 H new ATOM 0 HB3 GLN B 197 3.012 -10.785 -3.695 1.00 0.00 H new ATOM 0 HG2 GLN B 197 0.870 -11.738 -3.165 1.00 0.00 H new ATOM 0 HG3 GLN B 197 1.940 -13.115 -3.339 1.00 0.00 H new ATOM 0 HE21 GLN B 197 -0.222 -11.497 -1.175 1.00 0.00 H new ATOM 0 HE22 GLN B 197 0.165 -12.434 0.272 1.00 0.00 H new ATOM 1224 N GLN B 198 5.380 -12.231 -4.601 1.00 0.00 N ATOM 1225 CA GLN B 198 5.834 -12.915 -5.851 1.00 0.00 C ATOM 1226 C GLN B 198 6.707 -14.120 -5.493 1.00 0.00 C ATOM 1227 O GLN B 198 6.570 -15.188 -6.059 1.00 0.00 O ATOM 1228 CB GLN B 198 6.650 -11.865 -6.620 1.00 0.00 C ATOM 1229 CG GLN B 198 6.209 -11.838 -8.089 1.00 0.00 C ATOM 1230 CD GLN B 198 5.297 -10.632 -8.335 1.00 0.00 C ATOM 1231 OE1 GLN B 198 5.365 -10.006 -9.375 1.00 0.00 O ATOM 1232 NE2 GLN B 198 4.439 -10.277 -7.417 1.00 0.00 N ATOM 0 H GLN B 198 5.693 -11.266 -4.499 1.00 0.00 H new ATOM 0 HA GLN B 198 4.999 -13.285 -6.446 1.00 0.00 H new ATOM 0 HB2 GLN B 198 6.510 -10.882 -6.171 1.00 0.00 H new ATOM 0 HB3 GLN B 198 7.713 -12.097 -6.554 1.00 0.00 H new ATOM 0 HG2 GLN B 198 7.082 -11.784 -8.739 1.00 0.00 H new ATOM 0 HG3 GLN B 198 5.683 -12.760 -8.337 1.00 0.00 H new ATOM 0 HE21 GLN B 198 4.380 -10.801 -6.544 1.00 0.00 H new ATOM 0 HE22 GLN B 198 3.827 -9.476 -7.573 1.00 0.00 H new ATOM 1241 N GLN B 199 7.599 -13.950 -4.554 1.00 0.00 N ATOM 1242 CA GLN B 199 8.487 -15.080 -4.144 1.00 0.00 C ATOM 1243 C GLN B 199 7.646 -16.215 -3.557 1.00 0.00 C ATOM 1244 O GLN B 199 7.843 -17.373 -3.874 1.00 0.00 O ATOM 1245 CB GLN B 199 9.422 -14.499 -3.082 1.00 0.00 C ATOM 1246 CG GLN B 199 10.615 -13.826 -3.764 1.00 0.00 C ATOM 1247 CD GLN B 199 11.455 -13.090 -2.718 1.00 0.00 C ATOM 1248 OE1 GLN B 199 12.380 -13.649 -2.163 1.00 0.00 O ATOM 1249 NE2 GLN B 199 11.169 -11.851 -2.423 1.00 0.00 N ATOM 0 H GLN B 199 7.752 -13.076 -4.051 1.00 0.00 H new ATOM 0 HA GLN B 199 9.044 -15.492 -4.985 1.00 0.00 H new ATOM 0 HB2 GLN B 199 8.886 -13.776 -2.467 1.00 0.00 H new ATOM 0 HB3 GLN B 199 9.769 -15.289 -2.416 1.00 0.00 H new ATOM 0 HG2 GLN B 199 11.224 -14.572 -4.275 1.00 0.00 H new ATOM 0 HG3 GLN B 199 10.266 -13.126 -4.523 1.00 0.00 H new ATOM 0 HE21 GLN B 199 10.392 -11.382 -2.889 1.00 0.00 H new ATOM 0 HE22 GLN B 199 11.722 -11.352 -1.726 1.00 0.00 H new ATOM 1258 N LEU B 200 6.705 -15.887 -2.708 1.00 0.00 N ATOM 1259 CA LEU B 200 5.838 -16.940 -2.101 1.00 0.00 C ATOM 1260 C LEU B 200 4.877 -17.491 -3.155 1.00 0.00 C ATOM 1261 O LEU B 200 4.501 -18.648 -3.123 1.00 0.00 O ATOM 1262 CB LEU B 200 5.066 -16.235 -0.984 1.00 0.00 C ATOM 1263 CG LEU B 200 4.423 -17.278 -0.068 1.00 0.00 C ATOM 1264 CD1 LEU B 200 5.513 -18.017 0.711 1.00 0.00 C ATOM 1265 CD2 LEU B 200 3.481 -16.579 0.916 1.00 0.00 C ATOM 0 H LEU B 200 6.500 -14.934 -2.409 1.00 0.00 H new ATOM 0 HA LEU B 200 6.415 -17.782 -1.719 1.00 0.00 H new ATOM 0 HB2 LEU B 200 5.738 -15.597 -0.410 1.00 0.00 H new ATOM 0 HB3 LEU B 200 4.299 -15.588 -1.410 1.00 0.00 H new ATOM 0 HG LEU B 200 3.860 -17.991 -0.670 1.00 0.00 H new ATOM 0 HD11 LEU B 200 5.054 -18.760 1.363 1.00 0.00 H new ATOM 0 HD12 LEU B 200 6.186 -18.514 0.012 1.00 0.00 H new ATOM 0 HD13 LEU B 200 6.077 -17.304 1.313 1.00 0.00 H new ATOM 0 HD21 LEU B 200 3.022 -17.321 1.570 1.00 0.00 H new ATOM 0 HD22 LEU B 200 4.046 -15.866 1.517 1.00 0.00 H new ATOM 0 HD23 LEU B 200 2.704 -16.052 0.363 1.00 0.00 H new ATOM 1277 N GLU B 201 4.484 -16.667 -4.094 1.00 0.00 N ATOM 1278 CA GLU B 201 3.553 -17.133 -5.164 1.00 0.00 C ATOM 1279 C GLU B 201 4.325 -17.940 -6.208 1.00 0.00 C ATOM 1280 O GLU B 201 3.791 -18.839 -6.831 1.00 0.00 O ATOM 1281 CB GLU B 201 2.982 -15.856 -5.786 1.00 0.00 C ATOM 1282 CG GLU B 201 1.854 -15.320 -4.904 1.00 0.00 C ATOM 1283 CD GLU B 201 1.164 -14.153 -5.613 1.00 0.00 C ATOM 1284 OE1 GLU B 201 1.838 -13.178 -5.901 1.00 0.00 O ATOM 1285 OE2 GLU B 201 -0.028 -14.254 -5.855 1.00 0.00 O ATOM 0 H GLU B 201 4.769 -15.690 -4.165 1.00 0.00 H new ATOM 0 HA GLU B 201 2.765 -17.778 -4.775 1.00 0.00 H new ATOM 0 HB2 GLU B 201 3.766 -15.106 -5.888 1.00 0.00 H new ATOM 0 HB3 GLU B 201 2.607 -16.063 -6.788 1.00 0.00 H new ATOM 0 HG2 GLU B 201 1.133 -16.111 -4.696 1.00 0.00 H new ATOM 0 HG3 GLU B 201 2.253 -14.992 -3.944 1.00 0.00 H new