USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=8 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 Set 1.1: A 85 GLN : amide:sc= -1.05 K(o=-1.8,f=-1.3) USER MOD Set 1.2: A 89 GLN : amide:sc= -0.754 K(o=-1.8,f=-0.54) USER MOD Single : A 65 THR OG1 : rot -150:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.155 X(o=-0.15,f=-0.15) 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= -0.259 K(o=-0.26,f=-2.4!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 HIS : no HD1:sc= -1.11 K(o=-1.1,f=-0.18) USER MOD Single : B 168 SER OG : rot -43:sc= 0.354 USER MOD Single : B 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 174 GLN : amide:sc= -0.103 K(o=-0.1,f=-1.3!) USER MOD Single : B 175 ASN : amide:sc= -0.487 K(o=-0.49,f=-1.1) USER MOD Single : B 176 MET CE :methyl 148:sc= -8.65! (180deg=-13.6!) USER MOD Single : B 184 THR OG1 : rot 180:sc= 0.00447 USER MOD Single : B 185 MET CE :methyl -119:sc= -0.152 (180deg=-0.806) USER MOD Single : B 188 GLN : amide:sc= -0.532 K(o=-0.53,f=-1.1) USER MOD Single : B 189 GLN : amide:sc= -0.352 X(o=-0.35,f=0) USER MOD Single : B 191 SER OG : rot -3:sc= -0.658 USER MOD Single : B 192 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 194 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 195 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.171) USER MOD Single : B 196 LYS NZ :NH3+ -153:sc= -1.24 (180deg=-2.57!) USER MOD Single : B 197 GLN : amide:sc= -4.37 K(o=-4.4,f=-8!) USER MOD Single : B 198 GLN : amide:sc= -0.276 X(o=-0.28,f=-0.01) USER MOD Single : B 199 GLN : amide:sc= -0.84 X(o=-0.84,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 161 N LEU A 62 0.172 -18.769 3.031 1.00 0.00 N ATOM 162 CA LEU A 62 0.116 -17.686 2.003 1.00 0.00 C ATOM 163 C LEU A 62 -1.178 -16.885 2.161 1.00 0.00 C ATOM 164 O LEU A 62 -1.235 -15.712 1.843 1.00 0.00 O ATOM 165 CB LEU A 62 0.141 -18.406 0.654 1.00 0.00 C ATOM 166 CG LEU A 62 0.478 -17.404 -0.452 1.00 0.00 C ATOM 167 CD1 LEU A 62 1.288 -18.103 -1.545 1.00 0.00 C ATOM 168 CD2 LEU A 62 -0.819 -16.854 -1.052 1.00 0.00 C ATOM 0 HA LEU A 62 0.944 -16.983 2.098 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.880 -19.207 0.671 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.827 -18.868 0.458 1.00 0.00 H new ATOM 0 HG LEU A 62 1.063 -16.585 -0.035 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.528 -17.389 -2.333 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.211 -18.497 -1.119 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.703 -18.922 -1.964 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.581 -16.140 -1.840 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.403 -17.674 -1.470 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.397 -16.356 -0.274 1.00 0.00 H new ATOM 180 N GLU A 63 -2.216 -17.512 2.656 1.00 0.00 N ATOM 181 CA GLU A 63 -3.512 -16.793 2.844 1.00 0.00 C ATOM 182 C GLU A 63 -3.366 -15.730 3.935 1.00 0.00 C ATOM 183 O GLU A 63 -4.026 -14.708 3.909 1.00 0.00 O ATOM 184 CB GLU A 63 -4.514 -17.867 3.272 1.00 0.00 C ATOM 185 CG GLU A 63 -5.891 -17.543 2.689 1.00 0.00 C ATOM 186 CD GLU A 63 -6.949 -18.420 3.360 1.00 0.00 C ATOM 187 OE1 GLU A 63 -6.925 -18.518 4.576 1.00 0.00 O ATOM 188 OE2 GLU A 63 -7.766 -18.979 2.647 1.00 0.00 O ATOM 0 H GLU A 63 -2.221 -18.492 2.938 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.834 -16.282 1.937 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.183 -18.846 2.927 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.570 -17.914 4.360 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.125 -16.490 2.844 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.891 -17.714 1.612 1.00 0.00 H new ATOM 195 N GLU A 64 -2.501 -15.965 4.889 1.00 0.00 N ATOM 196 CA GLU A 64 -2.301 -14.969 5.985 1.00 0.00 C ATOM 197 C GLU A 64 -1.496 -13.777 5.466 1.00 0.00 C ATOM 198 O GLU A 64 -1.725 -12.647 5.853 1.00 0.00 O ATOM 199 CB GLU A 64 -1.524 -15.714 7.072 1.00 0.00 C ATOM 200 CG GLU A 64 -2.503 -16.289 8.097 1.00 0.00 C ATOM 201 CD GLU A 64 -1.751 -17.201 9.068 1.00 0.00 C ATOM 202 OE1 GLU A 64 -0.838 -17.880 8.626 1.00 0.00 O ATOM 203 OE2 GLU A 64 -2.099 -17.204 10.237 1.00 0.00 O ATOM 0 H GLU A 64 -1.925 -16.804 4.956 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.245 -14.577 6.365 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.934 -16.516 6.627 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.824 -15.037 7.562 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.989 -15.481 8.644 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.289 -16.849 7.590 1.00 0.00 H new ATOM 210 N THR A 65 -0.562 -14.027 4.587 1.00 0.00 N ATOM 211 CA THR A 65 0.261 -12.913 4.026 1.00 0.00 C ATOM 212 C THR A 65 -0.594 -12.065 3.084 1.00 0.00 C ATOM 213 O THR A 65 -0.391 -10.873 2.950 1.00 0.00 O ATOM 214 CB THR A 65 1.396 -13.594 3.257 1.00 0.00 C ATOM 215 OG1 THR A 65 2.114 -14.449 4.136 1.00 0.00 O ATOM 216 CG2 THR A 65 2.341 -12.533 2.689 1.00 0.00 C ATOM 0 H THR A 65 -0.332 -14.955 4.232 1.00 0.00 H new ATOM 0 HA THR A 65 0.645 -12.250 4.801 1.00 0.00 H new ATOM 0 HB THR A 65 0.979 -14.180 2.438 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.048 -14.506 3.846 1.00 0.00 H new ATOM 0 HG21 THR A 65 3.148 -13.020 2.142 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.789 -11.878 2.015 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.760 -11.944 3.505 1.00 0.00 H new ATOM 224 N LYS A 66 -1.555 -12.675 2.436 1.00 0.00 N ATOM 225 CA LYS A 66 -2.438 -11.912 1.503 1.00 0.00 C ATOM 226 C LYS A 66 -3.327 -10.951 2.296 1.00 0.00 C ATOM 227 O LYS A 66 -3.722 -9.910 1.804 1.00 0.00 O ATOM 228 CB LYS A 66 -3.289 -12.969 0.795 1.00 0.00 C ATOM 229 CG LYS A 66 -2.503 -13.554 -0.381 1.00 0.00 C ATOM 230 CD LYS A 66 -2.860 -12.798 -1.662 1.00 0.00 C ATOM 231 CE LYS A 66 -2.257 -13.522 -2.869 1.00 0.00 C ATOM 232 NZ LYS A 66 -3.301 -13.440 -3.928 1.00 0.00 N ATOM 0 H LYS A 66 -1.766 -13.670 2.513 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.868 -11.313 0.793 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.561 -13.760 1.494 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.219 -12.524 0.440 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.433 -13.480 -0.189 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.734 -14.613 -0.495 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.943 -12.732 -1.768 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.482 -11.777 -1.611 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.330 -13.048 -3.191 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.018 -14.558 -2.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.961 -13.915 -4.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.170 -13.905 -3.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.502 -12.442 -4.140 1.00 0.00 H new ATOM 246 N GLU A 67 -3.640 -11.293 3.521 1.00 0.00 N ATOM 247 CA GLU A 67 -4.502 -10.401 4.355 1.00 0.00 C ATOM 248 C GLU A 67 -3.761 -9.100 4.668 1.00 0.00 C ATOM 249 O GLU A 67 -4.361 -8.048 4.787 1.00 0.00 O ATOM 250 CB GLU A 67 -4.778 -11.186 5.639 1.00 0.00 C ATOM 251 CG GLU A 67 -6.214 -10.927 6.099 1.00 0.00 C ATOM 252 CD GLU A 67 -6.356 -9.466 6.529 1.00 0.00 C ATOM 253 OE1 GLU A 67 -5.626 -9.057 7.417 1.00 0.00 O ATOM 254 OE2 GLU A 67 -7.192 -8.781 5.964 1.00 0.00 O ATOM 0 H GLU A 67 -3.336 -12.152 3.979 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.426 -10.129 3.845 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.627 -12.252 5.465 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.076 -10.888 6.418 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.912 -11.149 5.291 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.466 -11.588 6.929 1.00 0.00 H new ATOM 261 N GLN A 68 -2.461 -9.167 4.797 1.00 0.00 N ATOM 262 CA GLN A 68 -1.670 -7.936 5.096 1.00 0.00 C ATOM 263 C GLN A 68 -1.496 -7.113 3.820 1.00 0.00 C ATOM 264 O GLN A 68 -1.426 -5.899 3.857 1.00 0.00 O ATOM 265 CB GLN A 68 -0.318 -8.438 5.606 1.00 0.00 C ATOM 266 CG GLN A 68 0.555 -7.246 6.003 1.00 0.00 C ATOM 267 CD GLN A 68 -0.066 -6.535 7.207 1.00 0.00 C ATOM 268 OE1 GLN A 68 -0.191 -7.111 8.269 1.00 0.00 O ATOM 269 NE2 GLN A 68 -0.463 -5.298 7.085 1.00 0.00 N ATOM 0 H GLN A 68 -1.912 -10.022 4.708 1.00 0.00 H new ATOM 0 HA GLN A 68 -2.159 -7.295 5.829 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -0.463 -9.097 6.462 1.00 0.00 H new ATOM 0 HB3 GLN A 68 0.179 -9.024 4.833 1.00 0.00 H new ATOM 0 HG2 GLN A 68 1.562 -7.585 6.247 1.00 0.00 H new ATOM 0 HG3 GLN A 68 0.646 -6.554 5.166 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -0.358 -4.814 6.193 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -0.878 -4.815 7.881 1.00 0.00 H new ATOM 278 N ILE A 69 -1.435 -7.770 2.691 1.00 0.00 N ATOM 279 CA ILE A 69 -1.277 -7.038 1.399 1.00 0.00 C ATOM 280 C ILE A 69 -2.619 -6.428 0.989 1.00 0.00 C ATOM 281 O ILE A 69 -2.670 -5.398 0.343 1.00 0.00 O ATOM 282 CB ILE A 69 -0.826 -8.096 0.385 1.00 0.00 C ATOM 283 CG1 ILE A 69 0.491 -8.725 0.850 1.00 0.00 C ATOM 284 CG2 ILE A 69 -0.617 -7.441 -0.984 1.00 0.00 C ATOM 285 CD1 ILE A 69 0.835 -9.914 -0.048 1.00 0.00 C ATOM 0 H ILE A 69 -1.488 -8.785 2.608 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.558 -6.222 1.466 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.592 -8.867 0.307 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.291 -7.986 0.815 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.404 -9.052 1.886 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.296 -8.195 -1.703 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.553 -6.994 -1.320 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.147 -6.668 -0.904 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.772 -10.361 0.283 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.039 -10.656 0.010 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.940 -9.574 -1.078 1.00 0.00 H new ATOM 297 N LEU A 70 -3.704 -7.053 1.372 1.00 0.00 N ATOM 298 CA LEU A 70 -5.049 -6.511 1.019 1.00 0.00 C ATOM 299 C LEU A 70 -5.351 -5.283 1.880 1.00 0.00 C ATOM 300 O LEU A 70 -5.998 -4.351 1.441 1.00 0.00 O ATOM 301 CB LEU A 70 -6.035 -7.640 1.327 1.00 0.00 C ATOM 302 CG LEU A 70 -7.138 -7.659 0.267 1.00 0.00 C ATOM 303 CD1 LEU A 70 -7.794 -9.040 0.236 1.00 0.00 C ATOM 304 CD2 LEU A 70 -8.191 -6.603 0.611 1.00 0.00 C ATOM 0 H LEU A 70 -3.715 -7.917 1.915 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.111 -6.200 -0.024 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.514 -8.598 1.342 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.470 -7.498 2.316 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.707 -7.441 -0.710 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.580 -9.053 -0.519 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.045 -9.793 -0.007 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.226 -9.260 1.212 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.978 -6.615 -0.143 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -8.621 -6.823 1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.725 -5.618 0.633 1.00 0.00 H new ATOM 316 N LYS A 71 -4.875 -5.275 3.100 1.00 0.00 N ATOM 317 CA LYS A 71 -5.121 -4.104 3.995 1.00 0.00 C ATOM 318 C LYS A 71 -4.395 -2.876 3.443 1.00 0.00 C ATOM 319 O LYS A 71 -4.838 -1.755 3.610 1.00 0.00 O ATOM 320 CB LYS A 71 -4.545 -4.502 5.355 1.00 0.00 C ATOM 321 CG LYS A 71 -4.822 -3.392 6.371 1.00 0.00 C ATOM 322 CD LYS A 71 -6.292 -3.439 6.791 1.00 0.00 C ATOM 323 CE LYS A 71 -6.722 -2.061 7.301 1.00 0.00 C ATOM 324 NZ LYS A 71 -7.781 -2.339 8.312 1.00 0.00 N ATOM 0 H LYS A 71 -4.327 -6.029 3.514 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.179 -3.853 4.069 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.992 -5.437 5.692 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.472 -4.673 5.271 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.180 -3.514 7.243 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.588 -2.420 5.936 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.913 -3.736 5.946 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.435 -4.188 7.570 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.883 -1.525 7.745 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.103 -1.441 6.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.127 -1.442 8.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.569 -2.844 7.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.387 -2.925 9.075 1.00 0.00 H new ATOM 338 N LEU A 72 -3.285 -3.085 2.780 1.00 0.00 N ATOM 339 CA LEU A 72 -2.525 -1.934 2.205 1.00 0.00 C ATOM 340 C LEU A 72 -3.383 -1.213 1.164 1.00 0.00 C ATOM 341 O LEU A 72 -3.274 -0.014 0.981 1.00 0.00 O ATOM 342 CB LEU A 72 -1.290 -2.553 1.547 1.00 0.00 C ATOM 343 CG LEU A 72 -0.131 -2.566 2.548 1.00 0.00 C ATOM 344 CD1 LEU A 72 1.029 -3.384 1.975 1.00 0.00 C ATOM 345 CD2 LEU A 72 0.336 -1.130 2.813 1.00 0.00 C ATOM 0 H LEU A 72 -2.873 -4.003 2.612 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.251 -1.200 2.963 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.511 -3.568 1.217 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.013 -1.983 0.660 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.465 -3.015 3.483 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.854 -3.394 2.687 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.697 -4.406 1.790 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.363 -2.936 1.039 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.161 -1.141 3.526 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.669 -0.678 1.879 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.490 -0.549 3.223 1.00 0.00 H new ATOM 357 N GLU A 73 -4.240 -1.935 0.486 1.00 0.00 N ATOM 358 CA GLU A 73 -5.115 -1.295 -0.542 1.00 0.00 C ATOM 359 C GLU A 73 -6.038 -0.276 0.126 1.00 0.00 C ATOM 360 O GLU A 73 -6.322 0.772 -0.423 1.00 0.00 O ATOM 361 CB GLU A 73 -5.929 -2.437 -1.155 1.00 0.00 C ATOM 362 CG GLU A 73 -5.004 -3.344 -1.969 1.00 0.00 C ATOM 363 CD GLU A 73 -5.765 -3.903 -3.172 1.00 0.00 C ATOM 364 OE1 GLU A 73 -6.508 -3.150 -3.780 1.00 0.00 O ATOM 365 OE2 GLU A 73 -5.592 -5.075 -3.465 1.00 0.00 O ATOM 0 H GLU A 73 -4.371 -2.940 0.600 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.540 -0.764 -1.300 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.419 -3.011 -0.369 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.716 -2.035 -1.794 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.132 -2.783 -2.306 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.637 -4.160 -1.346 1.00 0.00 H new ATOM 372 N GLU A 74 -6.495 -0.575 1.313 1.00 0.00 N ATOM 373 CA GLU A 74 -7.392 0.375 2.036 1.00 0.00 C ATOM 374 C GLU A 74 -6.565 1.527 2.606 1.00 0.00 C ATOM 375 O GLU A 74 -7.029 2.646 2.713 1.00 0.00 O ATOM 376 CB GLU A 74 -8.024 -0.443 3.165 1.00 0.00 C ATOM 377 CG GLU A 74 -9.443 -0.856 2.769 1.00 0.00 C ATOM 378 CD GLU A 74 -9.957 -1.917 3.744 1.00 0.00 C ATOM 379 OE1 GLU A 74 -9.847 -1.698 4.939 1.00 0.00 O ATOM 380 OE2 GLU A 74 -10.452 -2.931 3.279 1.00 0.00 O ATOM 0 H GLU A 74 -6.286 -1.438 1.815 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.150 0.809 1.384 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.421 -1.328 3.368 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.048 0.144 4.083 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.102 0.012 2.779 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.448 -1.248 1.752 1.00 0.00 H new ATOM 387 N LYS A 75 -5.336 1.255 2.964 1.00 0.00 N ATOM 388 CA LYS A 75 -4.458 2.325 3.522 1.00 0.00 C ATOM 389 C LYS A 75 -3.949 3.217 2.388 1.00 0.00 C ATOM 390 O LYS A 75 -3.715 4.397 2.572 1.00 0.00 O ATOM 391 CB LYS A 75 -3.297 1.585 4.189 1.00 0.00 C ATOM 392 CG LYS A 75 -2.909 2.302 5.484 1.00 0.00 C ATOM 393 CD LYS A 75 -2.463 1.272 6.524 1.00 0.00 C ATOM 394 CE LYS A 75 -1.964 1.994 7.778 1.00 0.00 C ATOM 395 NZ LYS A 75 -1.808 0.924 8.801 1.00 0.00 N ATOM 0 H LYS A 75 -4.902 0.335 2.893 1.00 0.00 H new ATOM 0 HA LYS A 75 -4.982 2.968 4.229 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.584 0.555 4.403 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.442 1.544 3.514 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.105 3.012 5.292 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.756 2.874 5.863 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.293 0.613 6.777 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.672 0.645 6.114 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.018 2.502 7.591 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.674 2.753 8.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -1.468 1.341 9.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.726 0.462 8.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.121 0.220 8.465 1.00 0.00 H new ATOM 409 N LEU A 76 -3.787 2.660 1.214 1.00 0.00 N ATOM 410 CA LEU A 76 -3.304 3.470 0.057 1.00 0.00 C ATOM 411 C LEU A 76 -4.454 4.309 -0.498 1.00 0.00 C ATOM 412 O LEU A 76 -4.258 5.412 -0.974 1.00 0.00 O ATOM 413 CB LEU A 76 -2.830 2.451 -0.980 1.00 0.00 C ATOM 414 CG LEU A 76 -2.215 3.184 -2.173 1.00 0.00 C ATOM 415 CD1 LEU A 76 -0.915 3.864 -1.741 1.00 0.00 C ATOM 416 CD2 LEU A 76 -1.917 2.179 -3.289 1.00 0.00 C ATOM 0 H LEU A 76 -3.969 1.678 1.008 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.505 4.158 0.335 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.096 1.779 -0.535 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.667 1.836 -1.310 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.915 3.937 -2.536 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.477 4.386 -2.592 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.125 4.579 -0.946 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.215 3.112 -1.377 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.479 2.700 -4.140 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.217 1.427 -2.924 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.843 1.694 -3.598 1.00 0.00 H new ATOM 428 N LEU A 77 -5.654 3.794 -0.428 1.00 0.00 N ATOM 429 CA LEU A 77 -6.832 4.556 -0.937 1.00 0.00 C ATOM 430 C LEU A 77 -7.187 5.668 0.049 1.00 0.00 C ATOM 431 O LEU A 77 -7.658 6.723 -0.332 1.00 0.00 O ATOM 432 CB LEU A 77 -7.967 3.534 -1.029 1.00 0.00 C ATOM 433 CG LEU A 77 -7.969 2.896 -2.419 1.00 0.00 C ATOM 434 CD1 LEU A 77 -8.710 1.559 -2.367 1.00 0.00 C ATOM 435 CD2 LEU A 77 -8.673 3.830 -3.406 1.00 0.00 C ATOM 0 H LEU A 77 -5.869 2.876 -0.039 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.640 5.025 -1.902 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.842 2.766 -0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.924 4.020 -0.839 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.942 2.729 -2.743 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.711 1.105 -3.358 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.210 0.893 -1.663 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.737 1.725 -2.043 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.675 3.377 -4.397 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.700 3.996 -3.081 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.146 4.783 -3.444 1.00 0.00 H new ATOM 447 N ALA A 78 -6.951 5.439 1.316 1.00 0.00 N ATOM 448 CA ALA A 78 -7.258 6.482 2.340 1.00 0.00 C ATOM 449 C ALA A 78 -6.269 7.641 2.209 1.00 0.00 C ATOM 450 O ALA A 78 -6.593 8.779 2.491 1.00 0.00 O ATOM 451 CB ALA A 78 -7.093 5.785 3.692 1.00 0.00 C ATOM 0 H ALA A 78 -6.558 4.573 1.686 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.260 6.895 2.223 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.303 6.492 4.494 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.787 4.947 3.756 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.071 5.419 3.790 1.00 0.00 H new ATOM 457 N LEU A 79 -5.068 7.355 1.776 1.00 0.00 N ATOM 458 CA LEU A 79 -4.048 8.436 1.614 1.00 0.00 C ATOM 459 C LEU A 79 -4.461 9.366 0.470 1.00 0.00 C ATOM 460 O LEU A 79 -4.351 10.574 0.571 1.00 0.00 O ATOM 461 CB LEU A 79 -2.730 7.715 1.281 1.00 0.00 C ATOM 462 CG LEU A 79 -1.715 7.896 2.422 1.00 0.00 C ATOM 463 CD1 LEU A 79 -1.397 9.384 2.610 1.00 0.00 C ATOM 464 CD2 LEU A 79 -2.289 7.323 3.724 1.00 0.00 C ATOM 0 H LEU A 79 -4.749 6.419 1.527 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.948 9.048 2.510 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.920 6.654 1.120 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.317 8.110 0.353 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.798 7.364 2.168 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.677 9.503 3.420 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.975 9.785 1.688 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.312 9.923 2.855 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.566 7.454 4.529 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.211 7.846 3.976 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.498 6.261 3.593 1.00 0.00 H new ATOM 476 N GLN A 80 -4.944 8.809 -0.612 1.00 0.00 N ATOM 477 CA GLN A 80 -5.376 9.656 -1.765 1.00 0.00 C ATOM 478 C GLN A 80 -6.618 10.459 -1.377 1.00 0.00 C ATOM 479 O GLN A 80 -6.827 11.563 -1.845 1.00 0.00 O ATOM 480 CB GLN A 80 -5.701 8.673 -2.892 1.00 0.00 C ATOM 481 CG GLN A 80 -4.475 8.503 -3.790 1.00 0.00 C ATOM 482 CD GLN A 80 -4.925 8.139 -5.206 1.00 0.00 C ATOM 483 OE1 GLN A 80 -6.012 8.491 -5.619 1.00 0.00 O ATOM 484 NE2 GLN A 80 -4.130 7.444 -5.972 1.00 0.00 N ATOM 0 H GLN A 80 -5.058 7.804 -0.747 1.00 0.00 H new ATOM 0 HA GLN A 80 -4.609 10.369 -2.066 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -5.996 7.710 -2.475 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -6.545 9.039 -3.476 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -3.894 9.425 -3.808 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -3.825 7.724 -3.392 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -3.217 7.148 -5.625 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -4.421 7.196 -6.918 1.00 0.00 H new ATOM 493 N GLU A 81 -7.437 9.912 -0.516 1.00 0.00 N ATOM 494 CA GLU A 81 -8.667 10.638 -0.079 1.00 0.00 C ATOM 495 C GLU A 81 -8.274 11.859 0.754 1.00 0.00 C ATOM 496 O GLU A 81 -8.958 12.865 0.758 1.00 0.00 O ATOM 497 CB GLU A 81 -9.451 9.635 0.772 1.00 0.00 C ATOM 498 CG GLU A 81 -10.522 8.962 -0.088 1.00 0.00 C ATOM 499 CD GLU A 81 -11.827 9.755 0.008 1.00 0.00 C ATOM 500 OE1 GLU A 81 -12.158 10.182 1.102 1.00 0.00 O ATOM 501 OE2 GLU A 81 -12.473 9.921 -1.013 1.00 0.00 O ATOM 0 H GLU A 81 -7.307 8.992 -0.096 1.00 0.00 H new ATOM 0 HA GLU A 81 -9.260 10.995 -0.921 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -8.776 8.885 1.183 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -9.915 10.144 1.617 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -10.191 8.910 -1.125 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -10.681 7.937 0.247 1.00 0.00 H new ATOM 508 N GLU A 82 -7.171 11.775 1.454 1.00 0.00 N ATOM 509 CA GLU A 82 -6.718 12.931 2.286 1.00 0.00 C ATOM 510 C GLU A 82 -6.367 14.113 1.381 1.00 0.00 C ATOM 511 O GLU A 82 -6.763 15.236 1.634 1.00 0.00 O ATOM 512 CB GLU A 82 -5.474 12.432 3.030 1.00 0.00 C ATOM 513 CG GLU A 82 -5.839 12.097 4.479 1.00 0.00 C ATOM 514 CD GLU A 82 -6.026 13.391 5.272 1.00 0.00 C ATOM 515 OE1 GLU A 82 -7.058 14.020 5.108 1.00 0.00 O ATOM 516 OE2 GLU A 82 -5.132 13.732 6.030 1.00 0.00 O ATOM 0 H GLU A 82 -6.564 10.956 1.485 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.488 13.271 2.978 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.071 11.550 2.533 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.695 13.194 3.008 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.754 11.506 4.507 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.054 11.491 4.932 1.00 0.00 H new ATOM 523 N LYS A 83 -5.636 13.866 0.323 1.00 0.00 N ATOM 524 CA LYS A 83 -5.267 14.974 -0.611 1.00 0.00 C ATOM 525 C LYS A 83 -6.532 15.532 -1.264 1.00 0.00 C ATOM 526 O LYS A 83 -6.622 16.708 -1.565 1.00 0.00 O ATOM 527 CB LYS A 83 -4.352 14.337 -1.660 1.00 0.00 C ATOM 528 CG LYS A 83 -3.875 15.409 -2.643 1.00 0.00 C ATOM 529 CD LYS A 83 -2.483 15.042 -3.162 1.00 0.00 C ATOM 530 CE LYS A 83 -2.317 15.566 -4.591 1.00 0.00 C ATOM 531 NZ LYS A 83 -2.719 14.430 -5.466 1.00 0.00 N ATOM 0 H LYS A 83 -5.279 12.946 0.066 1.00 0.00 H new ATOM 0 HA LYS A 83 -4.770 15.800 -0.102 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.496 13.868 -1.174 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -4.886 13.551 -2.194 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -4.575 15.492 -3.475 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -3.847 16.382 -2.152 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.717 15.470 -2.515 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -2.349 13.960 -3.142 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -2.944 16.440 -4.766 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -1.288 15.868 -4.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -2.632 14.712 -6.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -2.101 13.614 -5.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -3.705 14.169 -5.265 1.00 0.00 H new ATOM 545 N HIS A 84 -7.511 14.691 -1.476 1.00 0.00 N ATOM 546 CA HIS A 84 -8.785 15.159 -2.103 1.00 0.00 C ATOM 547 C HIS A 84 -9.484 16.155 -1.177 1.00 0.00 C ATOM 548 O HIS A 84 -10.177 17.050 -1.624 1.00 0.00 O ATOM 549 CB HIS A 84 -9.637 13.899 -2.280 1.00 0.00 C ATOM 550 CG HIS A 84 -10.911 14.249 -2.998 1.00 0.00 C ATOM 551 ND1 HIS A 84 -11.199 13.774 -4.267 1.00 0.00 N ATOM 552 CD2 HIS A 84 -11.983 15.028 -2.637 1.00 0.00 C ATOM 553 CE1 HIS A 84 -12.400 14.266 -4.622 1.00 0.00 C ATOM 554 NE2 HIS A 84 -12.922 15.037 -3.664 1.00 0.00 N ATOM 0 H HIS A 84 -7.484 13.699 -1.242 1.00 0.00 H new ATOM 0 HA HIS A 84 -8.616 15.665 -3.053 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -9.083 13.150 -2.845 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -9.864 13.462 -1.308 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -12.082 15.554 -1.699 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -12.883 14.062 -5.566 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -13.816 15.527 -3.682 1.00 0.00 H new ATOM 562 N GLN A 85 -9.300 16.008 0.110 1.00 0.00 N ATOM 563 CA GLN A 85 -9.946 16.949 1.075 1.00 0.00 C ATOM 564 C GLN A 85 -9.359 18.351 0.901 1.00 0.00 C ATOM 565 O GLN A 85 -10.042 19.344 1.061 1.00 0.00 O ATOM 566 CB GLN A 85 -9.618 16.396 2.464 1.00 0.00 C ATOM 567 CG GLN A 85 -10.452 17.129 3.517 1.00 0.00 C ATOM 568 CD GLN A 85 -9.643 18.292 4.092 1.00 0.00 C ATOM 569 OE1 GLN A 85 -8.466 18.154 4.362 1.00 0.00 O ATOM 570 NE2 GLN A 85 -10.227 19.442 4.292 1.00 0.00 N ATOM 0 H GLN A 85 -8.730 15.277 0.535 1.00 0.00 H new ATOM 0 HA GLN A 85 -11.022 17.027 0.920 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -9.827 15.327 2.500 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.556 16.521 2.675 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -11.375 17.500 3.071 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.737 16.442 4.314 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -11.215 19.559 4.066 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -9.696 20.224 4.675 1.00 0.00 H new ATOM 579 N LEU A 86 -8.096 18.433 0.564 1.00 0.00 N ATOM 580 CA LEU A 86 -7.455 19.769 0.367 1.00 0.00 C ATOM 581 C LEU A 86 -8.084 20.469 -0.840 1.00 0.00 C ATOM 582 O LEU A 86 -8.198 21.680 -0.875 1.00 0.00 O ATOM 583 CB LEU A 86 -5.972 19.476 0.107 1.00 0.00 C ATOM 584 CG LEU A 86 -5.153 19.810 1.355 1.00 0.00 C ATOM 585 CD1 LEU A 86 -3.802 19.096 1.286 1.00 0.00 C ATOM 586 CD2 LEU A 86 -4.925 21.322 1.425 1.00 0.00 C ATOM 0 H LEU A 86 -7.481 17.632 0.417 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.587 20.423 1.229 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.840 18.427 -0.156 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.618 20.064 -0.740 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.694 19.481 2.242 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.219 19.334 2.175 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.962 18.019 1.235 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.261 19.425 0.399 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.341 21.561 2.314 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.385 21.650 0.537 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.887 21.833 1.474 1.00 0.00 H new ATOM 598 N PHE A 87 -8.497 19.711 -1.825 1.00 0.00 N ATOM 599 CA PHE A 87 -9.128 20.325 -3.035 1.00 0.00 C ATOM 600 C PHE A 87 -10.399 21.076 -2.633 1.00 0.00 C ATOM 601 O PHE A 87 -10.717 22.115 -3.182 1.00 0.00 O ATOM 602 CB PHE A 87 -9.468 19.149 -3.959 1.00 0.00 C ATOM 603 CG PHE A 87 -8.446 19.060 -5.068 1.00 0.00 C ATOM 604 CD1 PHE A 87 -7.260 18.343 -4.872 1.00 0.00 C ATOM 605 CD2 PHE A 87 -8.687 19.693 -6.294 1.00 0.00 C ATOM 606 CE1 PHE A 87 -6.314 18.259 -5.900 1.00 0.00 C ATOM 607 CE2 PHE A 87 -7.740 19.610 -7.322 1.00 0.00 C ATOM 608 CZ PHE A 87 -6.554 18.893 -7.125 1.00 0.00 C ATOM 0 H PHE A 87 -8.425 18.694 -1.844 1.00 0.00 H new ATOM 0 HA PHE A 87 -8.469 21.042 -3.525 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -9.483 18.220 -3.390 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -10.465 19.281 -4.380 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -7.075 17.854 -3.927 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -9.603 20.245 -6.446 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.399 17.705 -5.748 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -7.925 20.099 -8.267 1.00 0.00 H new ATOM 0 HZ PHE A 87 -5.824 18.829 -7.918 1.00 0.00 H new ATOM 618 N LEU A 88 -11.119 20.557 -1.673 1.00 0.00 N ATOM 619 CA LEU A 88 -12.372 21.238 -1.218 1.00 0.00 C ATOM 620 C LEU A 88 -12.037 22.626 -0.663 1.00 0.00 C ATOM 621 O LEU A 88 -12.833 23.543 -0.737 1.00 0.00 O ATOM 622 CB LEU A 88 -12.949 20.337 -0.115 1.00 0.00 C ATOM 623 CG LEU A 88 -14.207 19.610 -0.618 1.00 0.00 C ATOM 624 CD1 LEU A 88 -15.287 20.632 -0.996 1.00 0.00 C ATOM 625 CD2 LEU A 88 -13.859 18.751 -1.840 1.00 0.00 C ATOM 0 H LEU A 88 -10.895 19.691 -1.183 1.00 0.00 H new ATOM 0 HA LEU A 88 -13.084 21.380 -2.031 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -12.201 19.608 0.196 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -13.194 20.937 0.762 1.00 0.00 H new ATOM 0 HG LEU A 88 -14.586 18.967 0.177 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -16.175 20.109 -1.351 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -15.544 21.230 -0.122 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -14.911 21.284 -1.784 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -14.755 18.239 -2.191 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -13.470 19.389 -2.634 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -13.104 18.015 -1.564 1.00 0.00 H new ATOM 637 N GLN A 89 -10.861 22.780 -0.111 1.00 0.00 N ATOM 638 CA GLN A 89 -10.455 24.103 0.451 1.00 0.00 C ATOM 639 C GLN A 89 -9.513 24.833 -0.516 1.00 0.00 C ATOM 640 O GLN A 89 -9.344 26.035 -0.435 1.00 0.00 O ATOM 641 CB GLN A 89 -9.727 23.771 1.754 1.00 0.00 C ATOM 642 CG GLN A 89 -10.699 23.100 2.727 1.00 0.00 C ATOM 643 CD GLN A 89 -9.977 22.799 4.042 1.00 0.00 C ATOM 644 OE1 GLN A 89 -10.495 23.065 5.108 1.00 0.00 O ATOM 645 NE2 GLN A 89 -8.793 22.251 4.011 1.00 0.00 N ATOM 0 H GLN A 89 -10.161 22.043 -0.025 1.00 0.00 H new ATOM 0 HA GLN A 89 -11.311 24.759 0.612 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -8.883 23.111 1.553 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -9.321 24.680 2.198 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -11.554 23.750 2.910 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.086 22.178 2.293 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -8.358 22.027 3.116 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -8.303 22.046 4.882 1.00 0.00 H new ATOM 654 N LEU A 90 -8.895 24.117 -1.429 1.00 0.00 N ATOM 655 CA LEU A 90 -7.958 24.769 -2.402 1.00 0.00 C ATOM 656 C LEU A 90 -8.665 25.904 -3.152 1.00 0.00 C ATOM 657 O LEU A 90 -8.044 26.936 -3.347 1.00 0.00 O ATOM 658 CB LEU A 90 -7.555 23.657 -3.380 1.00 0.00 C ATOM 659 CG LEU A 90 -6.116 23.871 -3.876 1.00 0.00 C ATOM 660 CD1 LEU A 90 -5.995 25.231 -4.572 1.00 0.00 C ATOM 661 CD2 LEU A 90 -5.147 23.814 -2.691 1.00 0.00 C ATOM 662 OXT LEU A 90 -9.815 25.721 -3.517 1.00 0.00 O ATOM 0 H LEU A 90 -9.000 23.109 -1.542 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.095 25.208 -1.901 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.636 22.687 -2.890 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.240 23.644 -4.228 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.867 23.083 -4.587 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.972 25.372 -4.919 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.675 25.266 -5.423 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.252 26.024 -3.869 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.128 23.966 -3.047 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.402 24.595 -1.975 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.221 22.840 -2.207 1.00 0.00 H new ATOM 675 N GLY B 166 -10.314 30.381 1.863 1.00 0.00 N ATOM 676 CA GLY B 166 -8.903 29.990 1.584 1.00 0.00 C ATOM 677 C GLY B 166 -7.959 30.834 2.443 1.00 0.00 C ATOM 678 O GLY B 166 -8.285 31.205 3.555 1.00 0.00 O ATOM 0 HA2 GLY B 166 -8.759 28.931 1.799 1.00 0.00 H new ATOM 0 HA3 GLY B 166 -8.677 30.134 0.528 1.00 0.00 H new ATOM 684 N LEU B 167 -6.793 31.138 1.933 1.00 0.00 N ATOM 685 CA LEU B 167 -5.816 31.962 2.715 1.00 0.00 C ATOM 686 C LEU B 167 -5.018 32.888 1.785 1.00 0.00 C ATOM 687 O LEU B 167 -5.164 34.095 1.837 1.00 0.00 O ATOM 688 CB LEU B 167 -4.878 30.983 3.466 1.00 0.00 C ATOM 689 CG LEU B 167 -4.595 29.695 2.656 1.00 0.00 C ATOM 690 CD1 LEU B 167 -3.089 29.415 2.634 1.00 0.00 C ATOM 691 CD2 LEU B 167 -5.322 28.512 3.307 1.00 0.00 C ATOM 0 H LEU B 167 -6.473 30.852 1.008 1.00 0.00 H new ATOM 0 HA LEU B 167 -6.339 32.602 3.426 1.00 0.00 H new ATOM 0 HB2 LEU B 167 -3.936 31.485 3.686 1.00 0.00 H new ATOM 0 HB3 LEU B 167 -5.328 30.716 4.422 1.00 0.00 H new ATOM 0 HG LEU B 167 -4.952 29.828 1.635 1.00 0.00 H new ATOM 0 HD11 LEU B 167 -2.896 28.507 2.062 1.00 0.00 H new ATOM 0 HD12 LEU B 167 -2.570 30.253 2.170 1.00 0.00 H new ATOM 0 HD13 LEU B 167 -2.728 29.285 3.654 1.00 0.00 H new ATOM 0 HD21 LEU B 167 -5.123 27.604 2.737 1.00 0.00 H new ATOM 0 HD22 LEU B 167 -4.966 28.384 4.329 1.00 0.00 H new ATOM 0 HD23 LEU B 167 -6.395 28.706 3.318 1.00 0.00 H new ATOM 703 N SER B 168 -4.178 32.342 0.938 1.00 0.00 N ATOM 704 CA SER B 168 -3.378 33.200 0.013 1.00 0.00 C ATOM 705 C SER B 168 -3.171 32.504 -1.338 1.00 0.00 C ATOM 706 O SER B 168 -2.307 32.882 -2.107 1.00 0.00 O ATOM 707 CB SER B 168 -2.038 33.396 0.721 1.00 0.00 C ATOM 708 OG SER B 168 -1.301 34.414 0.057 1.00 0.00 O ATOM 0 H SER B 168 -4.013 31.339 0.849 1.00 0.00 H new ATOM 0 HA SER B 168 -3.878 34.145 -0.199 1.00 0.00 H new ATOM 0 HB2 SER B 168 -2.201 33.670 1.763 1.00 0.00 H new ATOM 0 HB3 SER B 168 -1.474 32.463 0.721 1.00 0.00 H new ATOM 0 HG SER B 168 -1.374 34.291 -0.913 1.00 0.00 H new ATOM 714 N LYS B 169 -3.949 31.484 -1.635 1.00 0.00 N ATOM 715 CA LYS B 169 -3.792 30.753 -2.937 1.00 0.00 C ATOM 716 C LYS B 169 -2.327 30.353 -3.161 1.00 0.00 C ATOM 717 O LYS B 169 -1.882 30.187 -4.281 1.00 0.00 O ATOM 718 CB LYS B 169 -4.250 31.736 -4.016 1.00 0.00 C ATOM 719 CG LYS B 169 -4.563 30.967 -5.301 1.00 0.00 C ATOM 720 CD LYS B 169 -5.788 30.077 -5.079 1.00 0.00 C ATOM 721 CE LYS B 169 -6.375 29.668 -6.432 1.00 0.00 C ATOM 722 NZ LYS B 169 -7.635 28.946 -6.101 1.00 0.00 N ATOM 0 H LYS B 169 -4.688 31.126 -1.029 1.00 0.00 H new ATOM 0 HA LYS B 169 -4.375 29.832 -2.954 1.00 0.00 H new ATOM 0 HB2 LYS B 169 -5.133 32.278 -3.679 1.00 0.00 H new ATOM 0 HB3 LYS B 169 -3.473 32.477 -4.202 1.00 0.00 H new ATOM 0 HG2 LYS B 169 -4.750 31.664 -6.118 1.00 0.00 H new ATOM 0 HG3 LYS B 169 -3.706 30.359 -5.591 1.00 0.00 H new ATOM 0 HD2 LYS B 169 -5.508 29.191 -4.509 1.00 0.00 H new ATOM 0 HD3 LYS B 169 -6.536 30.610 -4.492 1.00 0.00 H new ATOM 0 HE2 LYS B 169 -6.571 30.539 -7.057 1.00 0.00 H new ATOM 0 HE3 LYS B 169 -5.687 29.028 -6.984 1.00 0.00 H new ATOM 0 HZ1 LYS B 169 -8.097 28.633 -6.979 1.00 0.00 H new ATOM 0 HZ2 LYS B 169 -7.416 28.118 -5.511 1.00 0.00 H new ATOM 0 HZ3 LYS B 169 -8.273 29.582 -5.582 1.00 0.00 H new ATOM 736 N GLU B 170 -1.582 30.201 -2.097 1.00 0.00 N ATOM 737 CA GLU B 170 -0.149 29.814 -2.222 1.00 0.00 C ATOM 738 C GLU B 170 0.263 28.988 -1.006 1.00 0.00 C ATOM 739 O GLU B 170 0.880 27.947 -1.134 1.00 0.00 O ATOM 740 CB GLU B 170 0.620 31.135 -2.266 1.00 0.00 C ATOM 741 CG GLU B 170 1.787 31.014 -3.249 1.00 0.00 C ATOM 742 CD GLU B 170 1.335 31.471 -4.637 1.00 0.00 C ATOM 743 OE1 GLU B 170 0.752 32.539 -4.727 1.00 0.00 O ATOM 744 OE2 GLU B 170 1.580 30.745 -5.586 1.00 0.00 O ATOM 0 H GLU B 170 -1.910 30.330 -1.140 1.00 0.00 H new ATOM 0 HA GLU B 170 0.048 29.209 -3.107 1.00 0.00 H new ATOM 0 HB2 GLU B 170 -0.044 31.944 -2.571 1.00 0.00 H new ATOM 0 HB3 GLU B 170 0.992 31.385 -1.272 1.00 0.00 H new ATOM 0 HG2 GLU B 170 2.626 31.621 -2.910 1.00 0.00 H new ATOM 0 HG3 GLU B 170 2.136 29.982 -3.290 1.00 0.00 H new ATOM 751 N GLU B 171 -0.086 29.441 0.173 1.00 0.00 N ATOM 752 CA GLU B 171 0.273 28.675 1.401 1.00 0.00 C ATOM 753 C GLU B 171 -0.534 27.378 1.440 1.00 0.00 C ATOM 754 O GLU B 171 -0.065 26.356 1.903 1.00 0.00 O ATOM 755 CB GLU B 171 -0.098 29.583 2.577 1.00 0.00 C ATOM 756 CG GLU B 171 1.162 30.258 3.124 1.00 0.00 C ATOM 757 CD GLU B 171 1.748 29.407 4.251 1.00 0.00 C ATOM 758 OE1 GLU B 171 1.152 29.376 5.315 1.00 0.00 O ATOM 759 OE2 GLU B 171 2.783 28.799 4.032 1.00 0.00 O ATOM 0 H GLU B 171 -0.602 30.306 0.335 1.00 0.00 H new ATOM 0 HA GLU B 171 1.329 28.406 1.432 1.00 0.00 H new ATOM 0 HB2 GLU B 171 -0.816 30.337 2.254 1.00 0.00 H new ATOM 0 HB3 GLU B 171 -0.580 29.000 3.362 1.00 0.00 H new ATOM 0 HG2 GLU B 171 1.896 30.381 2.328 1.00 0.00 H new ATOM 0 HG3 GLU B 171 0.922 31.255 3.494 1.00 0.00 H new ATOM 766 N LEU B 172 -1.738 27.416 0.934 1.00 0.00 N ATOM 767 CA LEU B 172 -2.586 26.189 0.910 1.00 0.00 C ATOM 768 C LEU B 172 -2.128 25.280 -0.233 1.00 0.00 C ATOM 769 O LEU B 172 -2.271 24.073 -0.175 1.00 0.00 O ATOM 770 CB LEU B 172 -4.011 26.687 0.666 1.00 0.00 C ATOM 771 CG LEU B 172 -5.001 25.787 1.409 1.00 0.00 C ATOM 772 CD1 LEU B 172 -6.408 26.379 1.307 1.00 0.00 C ATOM 773 CD2 LEU B 172 -4.989 24.391 0.781 1.00 0.00 C ATOM 0 H LEU B 172 -2.172 28.248 0.535 1.00 0.00 H new ATOM 0 HA LEU B 172 -2.519 25.614 1.834 1.00 0.00 H new ATOM 0 HB2 LEU B 172 -4.111 27.717 1.009 1.00 0.00 H new ATOM 0 HB3 LEU B 172 -4.231 26.684 -0.402 1.00 0.00 H new ATOM 0 HG LEU B 172 -4.712 25.718 2.458 1.00 0.00 H new ATOM 0 HD11 LEU B 172 -7.112 25.737 1.836 1.00 0.00 H new ATOM 0 HD12 LEU B 172 -6.417 27.374 1.753 1.00 0.00 H new ATOM 0 HD13 LEU B 172 -6.698 26.449 0.259 1.00 0.00 H new ATOM 0 HD21 LEU B 172 -5.694 23.748 1.309 1.00 0.00 H new ATOM 0 HD22 LEU B 172 -5.278 24.461 -0.268 1.00 0.00 H new ATOM 0 HD23 LEU B 172 -3.987 23.968 0.854 1.00 0.00 H new ATOM 785 N ILE B 173 -1.567 25.857 -1.268 1.00 0.00 N ATOM 786 CA ILE B 173 -1.083 25.037 -2.417 1.00 0.00 C ATOM 787 C ILE B 173 0.161 24.254 -1.994 1.00 0.00 C ATOM 788 O ILE B 173 0.411 23.163 -2.472 1.00 0.00 O ATOM 789 CB ILE B 173 -0.728 26.040 -3.526 1.00 0.00 C ATOM 790 CG1 ILE B 173 -1.938 26.935 -3.856 1.00 0.00 C ATOM 791 CG2 ILE B 173 -0.297 25.278 -4.784 1.00 0.00 C ATOM 792 CD1 ILE B 173 -3.133 26.081 -4.293 1.00 0.00 C ATOM 0 H ILE B 173 -1.424 26.862 -1.365 1.00 0.00 H new ATOM 0 HA ILE B 173 -1.831 24.320 -2.755 1.00 0.00 H new ATOM 0 HB ILE B 173 0.089 26.672 -3.178 1.00 0.00 H new ATOM 0 HG12 ILE B 173 -2.208 27.529 -2.983 1.00 0.00 H new ATOM 0 HG13 ILE B 173 -1.675 27.635 -4.649 1.00 0.00 H new ATOM 0 HG21 ILE B 173 -0.045 25.988 -5.571 1.00 0.00 H new ATOM 0 HG22 ILE B 173 0.574 24.664 -4.557 1.00 0.00 H new ATOM 0 HG23 ILE B 173 -1.114 24.639 -5.120 1.00 0.00 H new ATOM 0 HD11 ILE B 173 -3.979 26.729 -4.522 1.00 0.00 H new ATOM 0 HD12 ILE B 173 -2.865 25.507 -5.180 1.00 0.00 H new ATOM 0 HD13 ILE B 173 -3.406 25.399 -3.488 1.00 0.00 H new ATOM 804 N GLN B 174 0.938 24.806 -1.096 1.00 0.00 N ATOM 805 CA GLN B 174 2.170 24.100 -0.629 1.00 0.00 C ATOM 806 C GLN B 174 1.787 22.888 0.223 1.00 0.00 C ATOM 807 O GLN B 174 2.497 21.902 0.269 1.00 0.00 O ATOM 808 CB GLN B 174 2.931 25.128 0.211 1.00 0.00 C ATOM 809 CG GLN B 174 4.436 24.941 0.007 1.00 0.00 C ATOM 810 CD GLN B 174 5.192 25.569 1.179 1.00 0.00 C ATOM 811 OE1 GLN B 174 4.760 25.484 2.312 1.00 0.00 O ATOM 812 NE2 GLN B 174 6.311 26.202 0.954 1.00 0.00 N ATOM 0 H GLN B 174 0.772 25.716 -0.666 1.00 0.00 H new ATOM 0 HA GLN B 174 2.774 23.732 -1.459 1.00 0.00 H new ATOM 0 HB2 GLN B 174 2.637 26.137 -0.076 1.00 0.00 H new ATOM 0 HB3 GLN B 174 2.679 25.011 1.265 1.00 0.00 H new ATOM 0 HG2 GLN B 174 4.675 23.880 -0.067 1.00 0.00 H new ATOM 0 HG3 GLN B 174 4.747 25.403 -0.930 1.00 0.00 H new ATOM 0 HE21 GLN B 174 6.674 26.274 0.004 1.00 0.00 H new ATOM 0 HE22 GLN B 174 6.822 26.625 1.729 1.00 0.00 H new ATOM 821 N ASN B 175 0.666 22.958 0.895 1.00 0.00 N ATOM 822 CA ASN B 175 0.225 21.811 1.747 1.00 0.00 C ATOM 823 C ASN B 175 -0.174 20.625 0.866 1.00 0.00 C ATOM 824 O ASN B 175 -0.059 19.480 1.262 1.00 0.00 O ATOM 825 CB ASN B 175 -0.985 22.328 2.528 1.00 0.00 C ATOM 826 CG ASN B 175 -0.558 23.500 3.414 1.00 0.00 C ATOM 827 OD1 ASN B 175 0.588 23.594 3.807 1.00 0.00 O ATOM 828 ND2 ASN B 175 -1.438 24.404 3.749 1.00 0.00 N ATOM 0 H ASN B 175 0.036 23.760 0.891 1.00 0.00 H new ATOM 0 HA ASN B 175 1.017 21.466 2.412 1.00 0.00 H new ATOM 0 HB2 ASN B 175 -1.767 22.646 1.839 1.00 0.00 H new ATOM 0 HB3 ASN B 175 -1.404 21.530 3.140 1.00 0.00 H new ATOM 0 HD21 ASN B 175 -1.163 25.189 4.340 1.00 0.00 H new ATOM 0 HD22 ASN B 175 -2.400 24.326 3.420 1.00 0.00 H new ATOM 835 N MET B 176 -0.640 20.893 -0.328 1.00 0.00 N ATOM 836 CA MET B 176 -1.049 19.785 -1.245 1.00 0.00 C ATOM 837 C MET B 176 0.189 19.040 -1.753 1.00 0.00 C ATOM 838 O MET B 176 0.136 17.860 -2.046 1.00 0.00 O ATOM 839 CB MET B 176 -1.777 20.467 -2.407 1.00 0.00 C ATOM 840 CG MET B 176 -3.294 20.317 -2.229 1.00 0.00 C ATOM 841 SD MET B 176 -4.078 20.056 -3.842 1.00 0.00 S ATOM 842 CE MET B 176 -5.722 20.665 -3.395 1.00 0.00 C ATOM 0 H MET B 176 -0.755 21.833 -0.708 1.00 0.00 H new ATOM 0 HA MET B 176 -1.684 19.053 -0.746 1.00 0.00 H new ATOM 0 HB2 MET B 176 -1.509 21.523 -2.447 1.00 0.00 H new ATOM 0 HB3 MET B 176 -1.467 20.023 -3.353 1.00 0.00 H new ATOM 0 HG2 MET B 176 -3.511 19.477 -1.569 1.00 0.00 H new ATOM 0 HG3 MET B 176 -3.704 21.209 -1.755 1.00 0.00 H new ATOM 0 HE1 MET B 176 -6.188 21.127 -4.266 1.00 0.00 H new ATOM 0 HE2 MET B 176 -6.337 19.833 -3.052 1.00 0.00 H new ATOM 0 HE3 MET B 176 -5.632 21.403 -2.598 1.00 0.00 H new ATOM 852 N ASP B 177 1.300 19.723 -1.857 1.00 0.00 N ATOM 853 CA ASP B 177 2.548 19.062 -2.346 1.00 0.00 C ATOM 854 C ASP B 177 3.143 18.180 -1.247 1.00 0.00 C ATOM 855 O ASP B 177 3.778 17.179 -1.519 1.00 0.00 O ATOM 856 CB ASP B 177 3.502 20.208 -2.690 1.00 0.00 C ATOM 857 CG ASP B 177 4.477 19.751 -3.777 1.00 0.00 C ATOM 858 OD1 ASP B 177 4.028 19.124 -4.722 1.00 0.00 O ATOM 859 OD2 ASP B 177 5.656 20.036 -3.645 1.00 0.00 O ATOM 0 H ASP B 177 1.397 20.711 -1.624 1.00 0.00 H new ATOM 0 HA ASP B 177 2.362 18.418 -3.206 1.00 0.00 H new ATOM 0 HB2 ASP B 177 2.937 21.075 -3.034 1.00 0.00 H new ATOM 0 HB3 ASP B 177 4.051 20.518 -1.801 1.00 0.00 H new ATOM 864 N ARG B 178 2.937 18.546 -0.008 1.00 0.00 N ATOM 865 CA ARG B 178 3.484 17.732 1.119 1.00 0.00 C ATOM 866 C ARG B 178 2.637 16.474 1.313 1.00 0.00 C ATOM 867 O ARG B 178 3.135 15.433 1.698 1.00 0.00 O ATOM 868 CB ARG B 178 3.396 18.636 2.349 1.00 0.00 C ATOM 869 CG ARG B 178 4.205 18.022 3.495 1.00 0.00 C ATOM 870 CD ARG B 178 4.885 19.135 4.296 1.00 0.00 C ATOM 871 NE ARG B 178 3.771 19.858 4.969 1.00 0.00 N ATOM 872 CZ ARG B 178 3.867 20.174 6.232 1.00 0.00 C ATOM 873 NH1 ARG B 178 4.950 20.749 6.680 1.00 0.00 N ATOM 874 NH2 ARG B 178 2.881 19.916 7.046 1.00 0.00 N ATOM 0 H ARG B 178 2.413 19.375 0.272 1.00 0.00 H new ATOM 0 HA ARG B 178 4.507 17.404 0.934 1.00 0.00 H new ATOM 0 HB2 ARG B 178 3.778 19.629 2.112 1.00 0.00 H new ATOM 0 HB3 ARG B 178 2.355 18.758 2.649 1.00 0.00 H new ATOM 0 HG2 ARG B 178 3.551 17.440 4.144 1.00 0.00 H new ATOM 0 HG3 ARG B 178 4.953 17.336 3.099 1.00 0.00 H new ATOM 0 HD2 ARG B 178 5.587 18.726 5.023 1.00 0.00 H new ATOM 0 HD3 ARG B 178 5.452 19.801 3.645 1.00 0.00 H new ATOM 0 HE ARG B 178 2.933 20.106 4.443 1.00 0.00 H new ATOM 0 HH11 ARG B 178 5.721 20.951 6.043 1.00 0.00 H new ATOM 0 HH12 ARG B 178 5.025 20.996 7.667 1.00 0.00 H new ATOM 0 HH21 ARG B 178 2.035 19.467 6.696 1.00 0.00 H new ATOM 0 HH22 ARG B 178 2.956 20.163 8.033 1.00 0.00 H new ATOM 888 N VAL B 179 1.361 16.566 1.042 1.00 0.00 N ATOM 889 CA VAL B 179 0.470 15.377 1.201 1.00 0.00 C ATOM 890 C VAL B 179 0.725 14.386 0.061 1.00 0.00 C ATOM 891 O VAL B 179 0.574 13.190 0.223 1.00 0.00 O ATOM 892 CB VAL B 179 -0.959 15.931 1.134 1.00 0.00 C ATOM 893 CG1 VAL B 179 -1.965 14.784 1.272 1.00 0.00 C ATOM 894 CG2 VAL B 179 -1.174 16.931 2.274 1.00 0.00 C ATOM 0 H VAL B 179 0.896 17.414 0.717 1.00 0.00 H new ATOM 0 HA VAL B 179 0.646 14.844 2.135 1.00 0.00 H new ATOM 0 HB VAL B 179 -1.106 16.430 0.176 1.00 0.00 H new ATOM 0 HG11 VAL B 179 -2.979 15.181 1.224 1.00 0.00 H new ATOM 0 HG12 VAL B 179 -1.816 14.070 0.462 1.00 0.00 H new ATOM 0 HG13 VAL B 179 -1.817 14.283 2.229 1.00 0.00 H new ATOM 0 HG21 VAL B 179 -2.189 17.324 2.226 1.00 0.00 H new ATOM 0 HG22 VAL B 179 -1.024 16.430 3.230 1.00 0.00 H new ATOM 0 HG23 VAL B 179 -0.462 17.751 2.178 1.00 0.00 H new ATOM 904 N ASP B 180 1.117 14.880 -1.086 1.00 0.00 N ATOM 905 CA ASP B 180 1.391 13.973 -2.242 1.00 0.00 C ATOM 906 C ASP B 180 2.681 13.187 -1.997 1.00 0.00 C ATOM 907 O ASP B 180 2.844 12.081 -2.478 1.00 0.00 O ATOM 908 CB ASP B 180 1.548 14.897 -3.452 1.00 0.00 C ATOM 909 CG ASP B 180 1.209 14.128 -4.730 1.00 0.00 C ATOM 910 OD1 ASP B 180 1.536 12.955 -4.796 1.00 0.00 O ATOM 911 OD2 ASP B 180 0.629 14.726 -5.621 1.00 0.00 O ATOM 0 H ASP B 180 1.259 15.873 -1.272 1.00 0.00 H new ATOM 0 HA ASP B 180 0.594 13.244 -2.391 1.00 0.00 H new ATOM 0 HB2 ASP B 180 0.892 15.761 -3.350 1.00 0.00 H new ATOM 0 HB3 ASP B 180 2.569 15.276 -3.503 1.00 0.00 H new ATOM 916 N ARG B 181 3.595 13.750 -1.248 1.00 0.00 N ATOM 917 CA ARG B 181 4.879 13.039 -0.962 1.00 0.00 C ATOM 918 C ARG B 181 4.642 11.911 0.046 1.00 0.00 C ATOM 919 O ARG B 181 5.343 10.917 0.051 1.00 0.00 O ATOM 920 CB ARG B 181 5.804 14.104 -0.369 1.00 0.00 C ATOM 921 CG ARG B 181 6.291 15.034 -1.482 1.00 0.00 C ATOM 922 CD ARG B 181 6.726 16.371 -0.877 1.00 0.00 C ATOM 923 NE ARG B 181 8.203 16.262 -0.726 1.00 0.00 N ATOM 924 CZ ARG B 181 8.824 16.992 0.159 1.00 0.00 C ATOM 925 NH1 ARG B 181 8.677 18.289 0.154 1.00 0.00 N ATOM 926 NH2 ARG B 181 9.592 16.426 1.050 1.00 0.00 N ATOM 0 H ARG B 181 3.508 14.672 -0.821 1.00 0.00 H new ATOM 0 HA ARG B 181 5.307 12.584 -1.856 1.00 0.00 H new ATOM 0 HB2 ARG B 181 5.275 14.677 0.393 1.00 0.00 H new ATOM 0 HB3 ARG B 181 6.654 13.630 0.122 1.00 0.00 H new ATOM 0 HG2 ARG B 181 7.124 14.576 -2.015 1.00 0.00 H new ATOM 0 HG3 ARG B 181 5.496 15.194 -2.211 1.00 0.00 H new ATOM 0 HD2 ARG B 181 6.456 17.204 -1.526 1.00 0.00 H new ATOM 0 HD3 ARG B 181 6.243 16.545 0.084 1.00 0.00 H new ATOM 0 HE ARG B 181 8.730 15.616 -1.315 1.00 0.00 H new ATOM 0 HH11 ARG B 181 8.077 18.732 -0.542 1.00 0.00 H new ATOM 0 HH12 ARG B 181 9.162 18.860 0.846 1.00 0.00 H new ATOM 0 HH21 ARG B 181 9.707 15.412 1.054 1.00 0.00 H new ATOM 0 HH22 ARG B 181 10.077 16.997 1.742 1.00 0.00 H new ATOM 940 N GLU B 182 3.657 12.060 0.896 1.00 0.00 N ATOM 941 CA GLU B 182 3.367 10.997 1.906 1.00 0.00 C ATOM 942 C GLU B 182 2.708 9.793 1.229 1.00 0.00 C ATOM 943 O GLU B 182 2.853 8.667 1.669 1.00 0.00 O ATOM 944 CB GLU B 182 2.406 11.642 2.907 1.00 0.00 C ATOM 945 CG GLU B 182 2.722 11.136 4.316 1.00 0.00 C ATOM 946 CD GLU B 182 1.709 11.715 5.306 1.00 0.00 C ATOM 947 OE1 GLU B 182 1.954 12.800 5.807 1.00 0.00 O ATOM 948 OE2 GLU B 182 0.705 11.064 5.545 1.00 0.00 O ATOM 0 H GLU B 182 3.041 12.872 0.934 1.00 0.00 H new ATOM 0 HA GLU B 182 4.273 10.635 2.392 1.00 0.00 H new ATOM 0 HB2 GLU B 182 2.499 12.727 2.869 1.00 0.00 H new ATOM 0 HB3 GLU B 182 1.376 11.401 2.645 1.00 0.00 H new ATOM 0 HG2 GLU B 182 2.687 10.047 4.339 1.00 0.00 H new ATOM 0 HG3 GLU B 182 3.733 11.429 4.601 1.00 0.00 H new ATOM 955 N ILE B 183 1.989 10.024 0.160 1.00 0.00 N ATOM 956 CA ILE B 183 1.319 8.895 -0.556 1.00 0.00 C ATOM 957 C ILE B 183 2.364 8.058 -1.304 1.00 0.00 C ATOM 958 O ILE B 183 2.181 6.874 -1.520 1.00 0.00 O ATOM 959 CB ILE B 183 0.344 9.558 -1.537 1.00 0.00 C ATOM 960 CG1 ILE B 183 -0.670 10.402 -0.756 1.00 0.00 C ATOM 961 CG2 ILE B 183 -0.402 8.482 -2.331 1.00 0.00 C ATOM 962 CD1 ILE B 183 -1.549 11.185 -1.733 1.00 0.00 C ATOM 0 H ILE B 183 1.837 10.946 -0.249 1.00 0.00 H new ATOM 0 HA ILE B 183 0.800 8.221 0.125 1.00 0.00 H new ATOM 0 HB ILE B 183 0.902 10.194 -2.223 1.00 0.00 H new ATOM 0 HG12 ILE B 183 -1.289 9.758 -0.131 1.00 0.00 H new ATOM 0 HG13 ILE B 183 -0.149 11.089 -0.089 1.00 0.00 H new ATOM 0 HG21 ILE B 183 -1.094 8.957 -3.027 1.00 0.00 H new ATOM 0 HG22 ILE B 183 0.315 7.878 -2.887 1.00 0.00 H new ATOM 0 HG23 ILE B 183 -0.959 7.844 -1.645 1.00 0.00 H new ATOM 0 HD11 ILE B 183 -2.269 11.784 -1.175 1.00 0.00 H new ATOM 0 HD12 ILE B 183 -0.924 11.841 -2.340 1.00 0.00 H new ATOM 0 HD13 ILE B 183 -2.081 10.489 -2.381 1.00 0.00 H new ATOM 974 N THR B 184 3.457 8.665 -1.694 1.00 0.00 N ATOM 975 CA THR B 184 4.521 7.908 -2.424 1.00 0.00 C ATOM 976 C THR B 184 5.231 6.950 -1.465 1.00 0.00 C ATOM 977 O THR B 184 5.690 5.894 -1.858 1.00 0.00 O ATOM 978 CB THR B 184 5.494 8.972 -2.937 1.00 0.00 C ATOM 979 OG1 THR B 184 4.764 10.011 -3.575 1.00 0.00 O ATOM 980 CG2 THR B 184 6.463 8.339 -3.937 1.00 0.00 C ATOM 0 H THR B 184 3.659 9.653 -1.538 1.00 0.00 H new ATOM 0 HA THR B 184 4.115 7.307 -3.238 1.00 0.00 H new ATOM 0 HB THR B 184 6.057 9.384 -2.100 1.00 0.00 H new ATOM 0 HG1 THR B 184 5.386 10.694 -3.903 1.00 0.00 H new ATOM 0 HG21 THR B 184 7.156 9.097 -4.302 1.00 0.00 H new ATOM 0 HG22 THR B 184 7.022 7.542 -3.447 1.00 0.00 H new ATOM 0 HG23 THR B 184 5.902 7.926 -4.775 1.00 0.00 H new ATOM 988 N MET B 185 5.320 7.313 -0.210 1.00 0.00 N ATOM 989 CA MET B 185 5.996 6.425 0.784 1.00 0.00 C ATOM 990 C MET B 185 5.124 5.200 1.067 1.00 0.00 C ATOM 991 O MET B 185 5.605 4.084 1.117 1.00 0.00 O ATOM 992 CB MET B 185 6.154 7.277 2.046 1.00 0.00 C ATOM 993 CG MET B 185 7.511 6.989 2.692 1.00 0.00 C ATOM 994 SD MET B 185 7.501 7.576 4.404 1.00 0.00 S ATOM 995 CE MET B 185 6.468 6.258 5.089 1.00 0.00 C ATOM 0 H MET B 185 4.954 8.186 0.169 1.00 0.00 H new ATOM 0 HA MET B 185 6.957 6.059 0.424 1.00 0.00 H new ATOM 0 HB2 MET B 185 6.076 8.335 1.795 1.00 0.00 H new ATOM 0 HB3 MET B 185 5.351 7.056 2.749 1.00 0.00 H new ATOM 0 HG2 MET B 185 7.719 5.919 2.664 1.00 0.00 H new ATOM 0 HG3 MET B 185 8.305 7.483 2.132 1.00 0.00 H new ATOM 0 HE1 MET B 185 5.558 6.689 5.506 1.00 0.00 H new ATOM 0 HE2 MET B 185 6.207 5.553 4.300 1.00 0.00 H new ATOM 0 HE3 MET B 185 7.016 5.737 5.874 1.00 0.00 H new ATOM 1005 N VAL B 186 3.843 5.404 1.246 1.00 0.00 N ATOM 1006 CA VAL B 186 2.929 4.252 1.519 1.00 0.00 C ATOM 1007 C VAL B 186 2.764 3.417 0.248 1.00 0.00 C ATOM 1008 O VAL B 186 2.584 2.215 0.304 1.00 0.00 O ATOM 1009 CB VAL B 186 1.594 4.880 1.935 1.00 0.00 C ATOM 1010 CG1 VAL B 186 0.586 3.775 2.260 1.00 0.00 C ATOM 1011 CG2 VAL B 186 1.802 5.753 3.176 1.00 0.00 C ATOM 0 H VAL B 186 3.391 6.318 1.215 1.00 0.00 H new ATOM 0 HA VAL B 186 3.313 3.589 2.294 1.00 0.00 H new ATOM 0 HB VAL B 186 1.215 5.492 1.117 1.00 0.00 H new ATOM 0 HG11 VAL B 186 -0.363 4.223 2.556 1.00 0.00 H new ATOM 0 HG12 VAL B 186 0.434 3.151 1.379 1.00 0.00 H new ATOM 0 HG13 VAL B 186 0.968 3.163 3.077 1.00 0.00 H new ATOM 0 HG21 VAL B 186 0.852 6.199 3.471 1.00 0.00 H new ATOM 0 HG22 VAL B 186 2.184 5.140 3.992 1.00 0.00 H new ATOM 0 HG23 VAL B 186 2.519 6.543 2.950 1.00 0.00 H new ATOM 1021 N GLU B 187 2.833 4.049 -0.894 1.00 0.00 N ATOM 1022 CA GLU B 187 2.692 3.302 -2.180 1.00 0.00 C ATOM 1023 C GLU B 187 3.977 2.523 -2.470 1.00 0.00 C ATOM 1024 O GLU B 187 3.953 1.484 -3.103 1.00 0.00 O ATOM 1025 CB GLU B 187 2.461 4.374 -3.246 1.00 0.00 C ATOM 1026 CG GLU B 187 2.125 3.704 -4.580 1.00 0.00 C ATOM 1027 CD GLU B 187 2.354 4.696 -5.722 1.00 0.00 C ATOM 1028 OE1 GLU B 187 1.933 5.833 -5.586 1.00 0.00 O ATOM 1029 OE2 GLU B 187 2.945 4.302 -6.714 1.00 0.00 O ATOM 0 H GLU B 187 2.981 5.053 -0.992 1.00 0.00 H new ATOM 0 HA GLU B 187 1.875 2.580 -2.153 1.00 0.00 H new ATOM 0 HB2 GLU B 187 1.648 5.034 -2.943 1.00 0.00 H new ATOM 0 HB3 GLU B 187 3.351 4.994 -3.352 1.00 0.00 H new ATOM 0 HG2 GLU B 187 2.747 2.820 -4.722 1.00 0.00 H new ATOM 0 HG3 GLU B 187 1.088 3.367 -4.579 1.00 0.00 H new ATOM 1036 N GLN B 188 5.096 3.018 -2.004 1.00 0.00 N ATOM 1037 CA GLN B 188 6.390 2.311 -2.241 1.00 0.00 C ATOM 1038 C GLN B 188 6.472 1.059 -1.366 1.00 0.00 C ATOM 1039 O GLN B 188 7.117 0.088 -1.716 1.00 0.00 O ATOM 1040 CB GLN B 188 7.477 3.315 -1.846 1.00 0.00 C ATOM 1041 CG GLN B 188 8.852 2.790 -2.274 1.00 0.00 C ATOM 1042 CD GLN B 188 8.906 2.648 -3.798 1.00 0.00 C ATOM 1043 OE1 GLN B 188 9.384 1.654 -4.309 1.00 0.00 O ATOM 1044 NE2 GLN B 188 8.435 3.604 -4.552 1.00 0.00 N ATOM 0 H GLN B 188 5.169 3.883 -1.469 1.00 0.00 H new ATOM 0 HA GLN B 188 6.498 1.986 -3.276 1.00 0.00 H new ATOM 0 HB2 GLN B 188 7.283 4.278 -2.317 1.00 0.00 H new ATOM 0 HB3 GLN B 188 7.460 3.478 -0.768 1.00 0.00 H new ATOM 0 HG2 GLN B 188 9.632 3.472 -1.936 1.00 0.00 H new ATOM 0 HG3 GLN B 188 9.045 1.826 -1.803 1.00 0.00 H new ATOM 0 HE21 GLN B 188 8.033 4.439 -4.125 1.00 0.00 H new ATOM 0 HE22 GLN B 188 8.469 3.516 -5.568 1.00 0.00 H new ATOM 1053 N GLN B 189 5.818 1.075 -0.232 1.00 0.00 N ATOM 1054 CA GLN B 189 5.849 -0.114 0.673 1.00 0.00 C ATOM 1055 C GLN B 189 4.987 -1.236 0.091 1.00 0.00 C ATOM 1056 O GLN B 189 5.278 -2.404 0.263 1.00 0.00 O ATOM 1057 CB GLN B 189 5.270 0.375 2.003 1.00 0.00 C ATOM 1058 CG GLN B 189 6.052 -0.244 3.166 1.00 0.00 C ATOM 1059 CD GLN B 189 7.087 0.758 3.683 1.00 0.00 C ATOM 1060 OE1 GLN B 189 7.292 0.877 4.875 1.00 0.00 O ATOM 1061 NE2 GLN B 189 7.754 1.489 2.831 1.00 0.00 N ATOM 0 H GLN B 189 5.263 1.861 0.106 1.00 0.00 H new ATOM 0 HA GLN B 189 6.856 -0.513 0.796 1.00 0.00 H new ATOM 0 HB2 GLN B 189 5.322 1.463 2.055 1.00 0.00 H new ATOM 0 HB3 GLN B 189 4.217 0.102 2.074 1.00 0.00 H new ATOM 0 HG2 GLN B 189 5.369 -0.523 3.969 1.00 0.00 H new ATOM 0 HG3 GLN B 189 6.548 -1.157 2.838 1.00 0.00 H new ATOM 0 HE21 GLN B 189 7.583 1.390 1.830 1.00 0.00 H new ATOM 0 HE22 GLN B 189 8.446 2.159 3.166 1.00 0.00 H new ATOM 1070 N ILE B 190 3.930 -0.885 -0.597 1.00 0.00 N ATOM 1071 CA ILE B 190 3.043 -1.928 -1.197 1.00 0.00 C ATOM 1072 C ILE B 190 3.735 -2.564 -2.404 1.00 0.00 C ATOM 1073 O ILE B 190 3.546 -3.731 -2.694 1.00 0.00 O ATOM 1074 CB ILE B 190 1.770 -1.185 -1.622 1.00 0.00 C ATOM 1075 CG1 ILE B 190 1.128 -0.537 -0.389 1.00 0.00 C ATOM 1076 CG2 ILE B 190 0.784 -2.175 -2.249 1.00 0.00 C ATOM 1077 CD1 ILE B 190 -0.088 0.293 -0.811 1.00 0.00 C ATOM 0 H ILE B 190 3.643 0.078 -0.769 1.00 0.00 H new ATOM 0 HA ILE B 190 2.816 -2.733 -0.498 1.00 0.00 H new ATOM 0 HB ILE B 190 2.023 -0.416 -2.352 1.00 0.00 H new ATOM 0 HG12 ILE B 190 0.825 -1.307 0.321 1.00 0.00 H new ATOM 0 HG13 ILE B 190 1.854 0.098 0.119 1.00 0.00 H new ATOM 0 HG21 ILE B 190 -0.120 -1.646 -2.551 1.00 0.00 H new ATOM 0 HG22 ILE B 190 1.241 -2.640 -3.123 1.00 0.00 H new ATOM 0 HG23 ILE B 190 0.528 -2.945 -1.521 1.00 0.00 H new ATOM 0 HD11 ILE B 190 -0.539 0.751 0.069 1.00 0.00 H new ATOM 0 HD12 ILE B 190 0.227 1.073 -1.504 1.00 0.00 H new ATOM 0 HD13 ILE B 190 -0.818 -0.353 -1.299 1.00 0.00 H new ATOM 1089 N SER B 191 4.542 -1.806 -3.100 1.00 0.00 N ATOM 1090 CA SER B 191 5.261 -2.364 -4.286 1.00 0.00 C ATOM 1091 C SER B 191 6.323 -3.360 -3.821 1.00 0.00 C ATOM 1092 O SER B 191 6.569 -4.363 -4.464 1.00 0.00 O ATOM 1093 CB SER B 191 5.912 -1.162 -4.970 1.00 0.00 C ATOM 1094 OG SER B 191 6.625 -0.401 -4.004 1.00 0.00 O ATOM 0 H SER B 191 4.735 -0.825 -2.899 1.00 0.00 H new ATOM 0 HA SER B 191 4.593 -2.894 -4.965 1.00 0.00 H new ATOM 0 HB2 SER B 191 6.588 -1.498 -5.756 1.00 0.00 H new ATOM 0 HB3 SER B 191 5.151 -0.544 -5.447 1.00 0.00 H new ATOM 0 HG SER B 191 6.498 -0.797 -3.117 1.00 0.00 H new ATOM 1100 N LYS B 192 6.944 -3.093 -2.700 1.00 0.00 N ATOM 1101 CA LYS B 192 7.983 -4.028 -2.178 1.00 0.00 C ATOM 1102 C LYS B 192 7.303 -5.241 -1.544 1.00 0.00 C ATOM 1103 O LYS B 192 7.815 -6.344 -1.587 1.00 0.00 O ATOM 1104 CB LYS B 192 8.756 -3.227 -1.127 1.00 0.00 C ATOM 1105 CG LYS B 192 9.424 -2.021 -1.792 1.00 0.00 C ATOM 1106 CD LYS B 192 10.811 -2.421 -2.298 1.00 0.00 C ATOM 1107 CE LYS B 192 11.357 -1.324 -3.215 1.00 0.00 C ATOM 1108 NZ LYS B 192 12.224 -0.487 -2.340 1.00 0.00 N ATOM 0 H LYS B 192 6.776 -2.268 -2.125 1.00 0.00 H new ATOM 0 HA LYS B 192 8.645 -4.399 -2.960 1.00 0.00 H new ATOM 0 HB2 LYS B 192 8.080 -2.893 -0.340 1.00 0.00 H new ATOM 0 HB3 LYS B 192 9.509 -3.858 -0.655 1.00 0.00 H new ATOM 0 HG2 LYS B 192 8.812 -1.664 -2.620 1.00 0.00 H new ATOM 0 HG3 LYS B 192 9.508 -1.200 -1.080 1.00 0.00 H new ATOM 0 HD2 LYS B 192 11.486 -2.575 -1.456 1.00 0.00 H new ATOM 0 HD3 LYS B 192 10.754 -3.366 -2.838 1.00 0.00 H new ATOM 0 HE2 LYS B 192 11.924 -1.748 -4.043 1.00 0.00 H new ATOM 0 HE3 LYS B 192 10.550 -0.735 -3.650 1.00 0.00 H new ATOM 0 HZ1 LYS B 192 12.635 0.288 -2.898 1.00 0.00 H new ATOM 0 HZ2 LYS B 192 11.655 -0.091 -1.564 1.00 0.00 H new ATOM 0 HZ3 LYS B 192 12.988 -1.073 -1.945 1.00 0.00 H new ATOM 1122 N LEU B 193 6.144 -5.043 -0.969 1.00 0.00 N ATOM 1123 CA LEU B 193 5.411 -6.182 -0.342 1.00 0.00 C ATOM 1124 C LEU B 193 4.817 -7.069 -1.439 1.00 0.00 C ATOM 1125 O LEU B 193 4.686 -8.267 -1.278 1.00 0.00 O ATOM 1126 CB LEU B 193 4.300 -5.538 0.499 1.00 0.00 C ATOM 1127 CG LEU B 193 4.307 -6.135 1.909 1.00 0.00 C ATOM 1128 CD1 LEU B 193 3.786 -5.097 2.905 1.00 0.00 C ATOM 1129 CD2 LEU B 193 3.407 -7.372 1.944 1.00 0.00 C ATOM 0 H LEU B 193 5.674 -4.140 -0.907 1.00 0.00 H new ATOM 0 HA LEU B 193 6.057 -6.810 0.271 1.00 0.00 H new ATOM 0 HB2 LEU B 193 4.448 -4.459 0.550 1.00 0.00 H new ATOM 0 HB3 LEU B 193 3.331 -5.705 0.028 1.00 0.00 H new ATOM 0 HG LEU B 193 5.324 -6.418 2.178 1.00 0.00 H new ATOM 0 HD11 LEU B 193 3.791 -5.522 3.909 1.00 0.00 H new ATOM 0 HD12 LEU B 193 4.427 -4.216 2.881 1.00 0.00 H new ATOM 0 HD13 LEU B 193 2.769 -4.813 2.636 1.00 0.00 H new ATOM 0 HD21 LEU B 193 3.412 -7.797 2.948 1.00 0.00 H new ATOM 0 HD22 LEU B 193 2.389 -7.089 1.675 1.00 0.00 H new ATOM 0 HD23 LEU B 193 3.778 -8.112 1.235 1.00 0.00 H new ATOM 1141 N LYS B 194 4.469 -6.483 -2.560 1.00 0.00 N ATOM 1142 CA LYS B 194 3.894 -7.287 -3.680 1.00 0.00 C ATOM 1143 C LYS B 194 4.969 -8.215 -4.247 1.00 0.00 C ATOM 1144 O LYS B 194 4.709 -9.362 -4.559 1.00 0.00 O ATOM 1145 CB LYS B 194 3.456 -6.266 -4.732 1.00 0.00 C ATOM 1146 CG LYS B 194 2.177 -6.754 -5.416 1.00 0.00 C ATOM 1147 CD LYS B 194 0.976 -6.474 -4.511 1.00 0.00 C ATOM 1148 CE LYS B 194 -0.249 -7.222 -5.042 1.00 0.00 C ATOM 1149 NZ LYS B 194 -1.394 -6.297 -4.811 1.00 0.00 N ATOM 0 H LYS B 194 4.559 -5.484 -2.746 1.00 0.00 H new ATOM 0 HA LYS B 194 3.059 -7.910 -3.359 1.00 0.00 H new ATOM 0 HB2 LYS B 194 3.284 -5.297 -4.264 1.00 0.00 H new ATOM 0 HB3 LYS B 194 4.246 -6.127 -5.470 1.00 0.00 H new ATOM 0 HG2 LYS B 194 2.049 -6.250 -6.374 1.00 0.00 H new ATOM 0 HG3 LYS B 194 2.248 -7.822 -5.624 1.00 0.00 H new ATOM 0 HD2 LYS B 194 1.194 -6.790 -3.491 1.00 0.00 H new ATOM 0 HD3 LYS B 194 0.775 -5.403 -4.477 1.00 0.00 H new ATOM 0 HE2 LYS B 194 -0.139 -7.458 -6.100 1.00 0.00 H new ATOM 0 HE3 LYS B 194 -0.393 -8.167 -4.518 1.00 0.00 H new ATOM 0 HZ1 LYS B 194 -2.272 -6.740 -5.150 1.00 0.00 H new ATOM 0 HZ2 LYS B 194 -1.478 -6.096 -3.794 1.00 0.00 H new ATOM 0 HZ3 LYS B 194 -1.233 -5.409 -5.328 1.00 0.00 H new ATOM 1163 N LYS B 195 6.179 -7.727 -4.369 1.00 0.00 N ATOM 1164 CA LYS B 195 7.282 -8.581 -4.902 1.00 0.00 C ATOM 1165 C LYS B 195 7.607 -9.679 -3.889 1.00 0.00 C ATOM 1166 O LYS B 195 7.960 -10.785 -4.251 1.00 0.00 O ATOM 1167 CB LYS B 195 8.472 -7.638 -5.084 1.00 0.00 C ATOM 1168 CG LYS B 195 9.242 -8.023 -6.349 1.00 0.00 C ATOM 1169 CD LYS B 195 10.179 -9.192 -6.041 1.00 0.00 C ATOM 1170 CE LYS B 195 10.603 -9.866 -7.348 1.00 0.00 C ATOM 1171 NZ LYS B 195 11.531 -8.897 -7.995 1.00 0.00 N ATOM 0 H LYS B 195 6.449 -6.775 -4.122 1.00 0.00 H new ATOM 0 HA LYS B 195 7.019 -9.071 -5.840 1.00 0.00 H new ATOM 0 HB2 LYS B 195 8.125 -6.607 -5.157 1.00 0.00 H new ATOM 0 HB3 LYS B 195 9.128 -7.692 -4.216 1.00 0.00 H new ATOM 0 HG2 LYS B 195 8.546 -8.300 -7.141 1.00 0.00 H new ATOM 0 HG3 LYS B 195 9.815 -7.170 -6.712 1.00 0.00 H new ATOM 0 HD2 LYS B 195 11.057 -8.836 -5.502 1.00 0.00 H new ATOM 0 HD3 LYS B 195 9.678 -9.912 -5.394 1.00 0.00 H new ATOM 0 HE2 LYS B 195 11.096 -10.819 -7.159 1.00 0.00 H new ATOM 0 HE3 LYS B 195 9.742 -10.073 -7.983 1.00 0.00 H new ATOM 0 HZ1 LYS B 195 12.070 -9.379 -8.743 1.00 0.00 H new ATOM 0 HZ2 LYS B 195 10.983 -8.117 -8.411 1.00 0.00 H new ATOM 0 HZ3 LYS B 195 12.188 -8.518 -7.284 1.00 0.00 H new ATOM 1185 N LYS B 196 7.471 -9.380 -2.622 1.00 0.00 N ATOM 1186 CA LYS B 196 7.750 -10.406 -1.573 1.00 0.00 C ATOM 1187 C LYS B 196 6.750 -11.553 -1.716 1.00 0.00 C ATOM 1188 O LYS B 196 7.072 -12.705 -1.493 1.00 0.00 O ATOM 1189 CB LYS B 196 7.561 -9.681 -0.235 1.00 0.00 C ATOM 1190 CG LYS B 196 7.802 -10.654 0.928 1.00 0.00 C ATOM 1191 CD LYS B 196 6.720 -10.462 1.995 1.00 0.00 C ATOM 1192 CE LYS B 196 5.374 -10.949 1.452 1.00 0.00 C ATOM 1193 NZ LYS B 196 5.395 -12.426 1.640 1.00 0.00 N ATOM 0 H LYS B 196 7.179 -8.469 -2.269 1.00 0.00 H new ATOM 0 HA LYS B 196 8.751 -10.831 -1.653 1.00 0.00 H new ATOM 0 HB2 LYS B 196 8.252 -8.841 -0.166 1.00 0.00 H new ATOM 0 HB3 LYS B 196 6.553 -9.270 -0.174 1.00 0.00 H new ATOM 0 HG2 LYS B 196 7.789 -11.681 0.564 1.00 0.00 H new ATOM 0 HG3 LYS B 196 8.788 -10.482 1.361 1.00 0.00 H new ATOM 0 HD2 LYS B 196 6.982 -11.015 2.897 1.00 0.00 H new ATOM 0 HD3 LYS B 196 6.652 -9.411 2.274 1.00 0.00 H new ATOM 0 HE2 LYS B 196 4.543 -10.494 1.991 1.00 0.00 H new ATOM 0 HE3 LYS B 196 5.254 -10.686 0.401 1.00 0.00 H new ATOM 0 HZ1 LYS B 196 4.782 -12.875 0.930 1.00 0.00 H new ATOM 0 HZ2 LYS B 196 6.368 -12.776 1.529 1.00 0.00 H new ATOM 0 HZ3 LYS B 196 5.049 -12.660 2.593 1.00 0.00 H new ATOM 1207 N GLN B 197 5.541 -11.239 -2.104 1.00 0.00 N ATOM 1208 CA GLN B 197 4.506 -12.301 -2.287 1.00 0.00 C ATOM 1209 C GLN B 197 4.948 -13.258 -3.395 1.00 0.00 C ATOM 1210 O GLN B 197 4.621 -14.430 -3.384 1.00 0.00 O ATOM 1211 CB GLN B 197 3.228 -11.558 -2.693 1.00 0.00 C ATOM 1212 CG GLN B 197 2.078 -12.560 -2.884 1.00 0.00 C ATOM 1213 CD GLN B 197 1.007 -12.335 -1.813 1.00 0.00 C ATOM 1214 OE1 GLN B 197 0.024 -11.662 -2.052 1.00 0.00 O ATOM 1215 NE2 GLN B 197 1.157 -12.874 -0.634 1.00 0.00 N ATOM 0 H GLN B 197 5.225 -10.290 -2.303 1.00 0.00 H new ATOM 0 HA GLN B 197 4.352 -12.894 -1.385 1.00 0.00 H new ATOM 0 HB2 GLN B 197 2.963 -10.828 -1.928 1.00 0.00 H new ATOM 0 HB3 GLN B 197 3.397 -11.004 -3.617 1.00 0.00 H new ATOM 0 HG2 GLN B 197 1.643 -12.442 -3.876 1.00 0.00 H new ATOM 0 HG3 GLN B 197 2.458 -13.580 -2.822 1.00 0.00 H new ATOM 0 HE21 GLN B 197 1.982 -13.439 -0.433 1.00 0.00 H new ATOM 0 HE22 GLN B 197 0.449 -12.730 0.086 1.00 0.00 H new ATOM 1224 N GLN B 198 5.697 -12.762 -4.349 1.00 0.00 N ATOM 1225 CA GLN B 198 6.177 -13.635 -5.465 1.00 0.00 C ATOM 1226 C GLN B 198 7.045 -14.761 -4.903 1.00 0.00 C ATOM 1227 O GLN B 198 6.873 -15.917 -5.237 1.00 0.00 O ATOM 1228 CB GLN B 198 7.008 -12.717 -6.375 1.00 0.00 C ATOM 1229 CG GLN B 198 6.585 -12.914 -7.837 1.00 0.00 C ATOM 1230 CD GLN B 198 5.646 -11.780 -8.261 1.00 0.00 C ATOM 1231 OE1 GLN B 198 5.711 -11.309 -9.379 1.00 0.00 O ATOM 1232 NE2 GLN B 198 4.771 -11.319 -7.409 1.00 0.00 N ATOM 0 H GLN B 198 5.997 -11.789 -4.403 1.00 0.00 H new ATOM 0 HA GLN B 198 5.355 -14.099 -6.009 1.00 0.00 H new ATOM 0 HB2 GLN B 198 6.867 -11.676 -6.083 1.00 0.00 H new ATOM 0 HB3 GLN B 198 8.069 -12.940 -6.261 1.00 0.00 H new ATOM 0 HG2 GLN B 198 7.464 -12.931 -8.481 1.00 0.00 H new ATOM 0 HG3 GLN B 198 6.086 -13.876 -7.955 1.00 0.00 H new ATOM 0 HE21 GLN B 198 4.716 -11.714 -6.470 1.00 0.00 H new ATOM 0 HE22 GLN B 198 4.142 -10.564 -7.682 1.00 0.00 H new ATOM 1241 N GLN B 199 7.972 -14.423 -4.047 1.00 0.00 N ATOM 1242 CA GLN B 199 8.858 -15.466 -3.448 1.00 0.00 C ATOM 1243 C GLN B 199 8.022 -16.454 -2.631 1.00 0.00 C ATOM 1244 O GLN B 199 8.238 -17.650 -2.681 1.00 0.00 O ATOM 1245 CB GLN B 199 9.828 -14.705 -2.541 1.00 0.00 C ATOM 1246 CG GLN B 199 10.858 -13.967 -3.400 1.00 0.00 C ATOM 1247 CD GLN B 199 11.751 -14.984 -4.113 1.00 0.00 C ATOM 1248 OE1 GLN B 199 12.752 -15.413 -3.575 1.00 0.00 O ATOM 1249 NE2 GLN B 199 11.429 -15.390 -5.311 1.00 0.00 N ATOM 0 H GLN B 199 8.155 -13.469 -3.736 1.00 0.00 H new ATOM 0 HA GLN B 199 9.387 -16.042 -4.207 1.00 0.00 H new ATOM 0 HB2 GLN B 199 9.281 -13.995 -1.920 1.00 0.00 H new ATOM 0 HB3 GLN B 199 10.331 -15.398 -1.866 1.00 0.00 H new ATOM 0 HG2 GLN B 199 10.352 -13.336 -4.131 1.00 0.00 H new ATOM 0 HG3 GLN B 199 11.464 -13.310 -2.776 1.00 0.00 H new ATOM 0 HE21 GLN B 199 10.588 -15.030 -5.763 1.00 0.00 H new ATOM 0 HE22 GLN B 199 12.018 -16.067 -5.795 1.00 0.00 H new ATOM 1258 N LEU B 200 7.065 -15.960 -1.887 1.00 0.00 N ATOM 1259 CA LEU B 200 6.203 -16.867 -1.070 1.00 0.00 C ATOM 1260 C LEU B 200 5.249 -17.635 -1.985 1.00 0.00 C ATOM 1261 O LEU B 200 4.954 -18.793 -1.756 1.00 0.00 O ATOM 1262 CB LEU B 200 5.423 -15.945 -0.129 1.00 0.00 C ATOM 1263 CG LEU B 200 5.137 -16.678 1.183 1.00 0.00 C ATOM 1264 CD1 LEU B 200 6.241 -16.367 2.194 1.00 0.00 C ATOM 1265 CD2 LEU B 200 3.790 -16.213 1.742 1.00 0.00 C ATOM 0 H LEU B 200 6.843 -14.967 -1.810 1.00 0.00 H new ATOM 0 HA LEU B 200 6.784 -17.605 -0.516 1.00 0.00 H new ATOM 0 HB2 LEU B 200 5.996 -15.038 0.066 1.00 0.00 H new ATOM 0 HB3 LEU B 200 4.488 -15.637 -0.597 1.00 0.00 H new ATOM 0 HG LEU B 200 5.105 -17.752 0.999 1.00 0.00 H new ATOM 0 HD11 LEU B 200 6.036 -16.890 3.128 1.00 0.00 H new ATOM 0 HD12 LEU B 200 7.201 -16.696 1.797 1.00 0.00 H new ATOM 0 HD13 LEU B 200 6.273 -15.293 2.378 1.00 0.00 H new ATOM 0 HD21 LEU B 200 3.585 -16.734 2.677 1.00 0.00 H new ATOM 0 HD22 LEU B 200 3.823 -15.139 1.925 1.00 0.00 H new ATOM 0 HD23 LEU B 200 3.002 -16.434 1.023 1.00 0.00 H new ATOM 1277 N GLU B 201 4.773 -16.998 -3.024 1.00 0.00 N ATOM 1278 CA GLU B 201 3.843 -17.686 -3.969 1.00 0.00 C ATOM 1279 C GLU B 201 4.631 -18.631 -4.876 1.00 0.00 C ATOM 1280 O GLU B 201 4.126 -19.645 -5.318 1.00 0.00 O ATOM 1281 CB GLU B 201 3.198 -16.566 -4.788 1.00 0.00 C ATOM 1282 CG GLU B 201 2.056 -15.939 -3.987 1.00 0.00 C ATOM 1283 CD GLU B 201 1.431 -14.800 -4.794 1.00 0.00 C ATOM 1284 OE1 GLU B 201 2.176 -14.074 -5.431 1.00 0.00 O ATOM 1285 OE2 GLU B 201 0.218 -14.673 -4.762 1.00 0.00 O ATOM 0 H GLU B 201 4.989 -16.029 -3.259 1.00 0.00 H new ATOM 0 HA GLU B 201 3.095 -18.286 -3.451 1.00 0.00 H new ATOM 0 HB2 GLU B 201 3.941 -15.808 -5.036 1.00 0.00 H new ATOM 0 HB3 GLU B 201 2.820 -16.962 -5.731 1.00 0.00 H new ATOM 0 HG2 GLU B 201 1.302 -16.692 -3.758 1.00 0.00 H new ATOM 0 HG3 GLU B 201 2.430 -15.562 -3.035 1.00 0.00 H new