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 80 GLN : amide:sc= -0.124 K(o=-0.12,f=-1.4!) USER MOD Set 1.2: A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.626 X(o=-0.63,f=-0.28) 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 84 HIS : no HD1:sc= -0.0252 X(o=-0.025,f=0) USER MOD Single : A 85 GLN : amide:sc= -0.336 X(o=-0.34,f=0) USER MOD Single : A 89 GLN : amide:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : B 168 SER OG : rot 57:sc= 1.25 USER MOD Single : B 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 174 GLN : amide:sc= -0.709 K(o=-0.71,f=-4.7!) USER MOD Single : B 175 ASN : amide:sc= -0.0612 K(o=-0.061,f=-1.3!) USER MOD Single : B 176 MET CE :methyl -158:sc= -6.85! (180deg=-7.08!) USER MOD Single : B 184 THR OG1 : rot 112:sc= 0.976 USER MOD Single : B 185 MET CE :methyl 124:sc= -0.225 (180deg=-1.05) USER MOD Single : B 188 GLN : amide:sc= -0.545 K(o=-0.54,f=0) USER MOD Single : B 189 GLN : amide:sc= -0.275 X(o=-0.27,f=-0.0016) USER MOD Single : B 191 SER OG : rot 72:sc= 1.28 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+ -129:sc= 0 (180deg=-0.0187) USER MOD Single : B 196 LYS NZ :NH3+ 158:sc= -0.404 (180deg=-1.03) USER MOD Single : B 197 GLN : amide:sc= -4.42 K(o=-4.4,f=-7.8!) USER MOD Single : B 198 GLN : amide:sc= -0.402 X(o=-0.4,f=-0.086) USER MOD Single : B 199 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 161 N LEU A 62 -0.115 -18.473 2.264 1.00 0.00 N ATOM 162 CA LEU A 62 -0.200 -17.189 1.504 1.00 0.00 C ATOM 163 C LEU A 62 -1.344 -16.331 2.050 1.00 0.00 C ATOM 164 O LEU A 62 -1.306 -15.117 1.984 1.00 0.00 O ATOM 165 CB LEU A 62 -0.478 -17.594 0.054 1.00 0.00 C ATOM 166 CG LEU A 62 0.280 -16.660 -0.892 1.00 0.00 C ATOM 167 CD1 LEU A 62 0.718 -17.436 -2.134 1.00 0.00 C ATOM 168 CD2 LEU A 62 -0.635 -15.505 -1.309 1.00 0.00 C ATOM 0 HA LEU A 62 0.713 -16.600 1.590 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.169 -18.626 -0.112 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.548 -17.545 -0.150 1.00 0.00 H new ATOM 0 HG LEU A 62 1.159 -16.264 -0.383 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.258 -16.770 -2.807 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.369 -18.259 -1.838 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.160 -17.833 -2.643 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.096 -14.839 -1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.514 -15.902 -1.817 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.947 -14.951 -0.424 1.00 0.00 H new ATOM 180 N GLU A 63 -2.358 -16.958 2.591 1.00 0.00 N ATOM 181 CA GLU A 63 -3.511 -16.185 3.148 1.00 0.00 C ATOM 182 C GLU A 63 -3.048 -15.336 4.333 1.00 0.00 C ATOM 183 O GLU A 63 -3.569 -14.265 4.581 1.00 0.00 O ATOM 184 CB GLU A 63 -4.523 -17.239 3.605 1.00 0.00 C ATOM 185 CG GLU A 63 -5.843 -16.555 3.968 1.00 0.00 C ATOM 186 CD GLU A 63 -6.634 -17.449 4.925 1.00 0.00 C ATOM 187 OE1 GLU A 63 -6.746 -18.631 4.645 1.00 0.00 O ATOM 188 OE2 GLU A 63 -7.115 -16.936 5.921 1.00 0.00 O ATOM 0 H GLU A 63 -2.438 -17.972 2.671 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.943 -15.504 2.414 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.686 -17.970 2.813 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.134 -17.783 4.466 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.648 -15.589 4.433 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.426 -16.363 3.067 1.00 0.00 H new ATOM 195 N GLU A 64 -2.069 -15.808 5.063 1.00 0.00 N ATOM 196 CA GLU A 64 -1.562 -15.030 6.234 1.00 0.00 C ATOM 197 C GLU A 64 -0.810 -13.792 5.750 1.00 0.00 C ATOM 198 O GLU A 64 -1.035 -12.693 6.224 1.00 0.00 O ATOM 199 CB GLU A 64 -0.617 -15.980 6.974 1.00 0.00 C ATOM 200 CG GLU A 64 -0.741 -15.752 8.482 1.00 0.00 C ATOM 201 CD GLU A 64 -2.019 -16.417 8.996 1.00 0.00 C ATOM 202 OE1 GLU A 64 -2.133 -17.624 8.858 1.00 0.00 O ATOM 203 OE2 GLU A 64 -2.862 -15.708 9.521 1.00 0.00 O ATOM 0 H GLU A 64 -1.599 -16.698 4.899 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.369 -14.684 6.880 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.860 -17.014 6.731 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.411 -15.810 6.653 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.128 -16.164 8.995 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.762 -14.684 8.698 1.00 0.00 H new ATOM 210 N THR A 65 0.072 -13.964 4.804 1.00 0.00 N ATOM 211 CA THR A 65 0.842 -12.800 4.270 1.00 0.00 C ATOM 212 C THR A 65 -0.108 -11.850 3.540 1.00 0.00 C ATOM 213 O THR A 65 0.091 -10.650 3.525 1.00 0.00 O ATOM 214 CB THR A 65 1.860 -13.397 3.296 1.00 0.00 C ATOM 215 OG1 THR A 65 2.628 -14.386 3.965 1.00 0.00 O ATOM 216 CG2 THR A 65 2.784 -12.292 2.780 1.00 0.00 C ATOM 0 H THR A 65 0.295 -14.862 4.375 1.00 0.00 H new ATOM 0 HA THR A 65 1.333 -12.229 5.058 1.00 0.00 H new ATOM 0 HB THR A 65 1.336 -13.851 2.455 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.280 -14.771 3.342 1.00 0.00 H new ATOM 0 HG21 THR A 65 3.509 -12.718 2.086 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.193 -11.534 2.267 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.310 -11.836 3.619 1.00 0.00 H new ATOM 224 N LYS A 66 -1.146 -12.382 2.946 1.00 0.00 N ATOM 225 CA LYS A 66 -2.124 -11.516 2.221 1.00 0.00 C ATOM 226 C LYS A 66 -2.903 -10.659 3.222 1.00 0.00 C ATOM 227 O LYS A 66 -3.365 -9.581 2.900 1.00 0.00 O ATOM 228 CB LYS A 66 -3.063 -12.484 1.497 1.00 0.00 C ATOM 229 CG LYS A 66 -2.606 -12.654 0.046 1.00 0.00 C ATOM 230 CD LYS A 66 -3.376 -11.682 -0.852 1.00 0.00 C ATOM 231 CE LYS A 66 -2.621 -10.353 -0.932 1.00 0.00 C ATOM 232 NZ LYS A 66 -3.423 -9.512 -1.863 1.00 0.00 N ATOM 0 H LYS A 66 -1.358 -13.380 2.932 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.635 -10.834 1.525 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.067 -13.449 2.003 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.085 -12.105 1.525 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.535 -12.467 -0.033 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.776 -13.680 -0.282 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.493 -12.106 -1.849 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.378 -11.520 -0.455 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.538 -9.886 0.050 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.607 -10.497 -1.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.969 -8.583 -1.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.480 -9.978 -2.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.382 -9.387 -1.479 1.00 0.00 H new ATOM 246 N GLU A 67 -3.049 -11.132 4.437 1.00 0.00 N ATOM 247 CA GLU A 67 -3.796 -10.345 5.464 1.00 0.00 C ATOM 248 C GLU A 67 -3.029 -9.068 5.803 1.00 0.00 C ATOM 249 O GLU A 67 -3.615 -8.027 6.040 1.00 0.00 O ATOM 250 CB GLU A 67 -3.891 -11.258 6.689 1.00 0.00 C ATOM 251 CG GLU A 67 -5.227 -11.025 7.398 1.00 0.00 C ATOM 252 CD GLU A 67 -6.355 -11.665 6.586 1.00 0.00 C ATOM 253 OE1 GLU A 67 -6.745 -11.080 5.589 1.00 0.00 O ATOM 254 OE2 GLU A 67 -6.809 -12.727 6.976 1.00 0.00 O ATOM 0 H GLU A 67 -2.683 -12.028 4.760 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.783 -10.043 5.113 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.806 -12.301 6.385 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.065 -11.056 7.371 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.198 -11.453 8.400 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.408 -9.956 7.513 1.00 0.00 H new ATOM 261 N GLN A 68 -1.723 -9.138 5.821 1.00 0.00 N ATOM 262 CA GLN A 68 -0.910 -7.926 6.136 1.00 0.00 C ATOM 263 C GLN A 68 -0.879 -7.001 4.921 1.00 0.00 C ATOM 264 O GLN A 68 -0.872 -5.791 5.048 1.00 0.00 O ATOM 265 CB GLN A 68 0.492 -8.449 6.455 1.00 0.00 C ATOM 266 CG GLN A 68 1.336 -7.317 7.044 1.00 0.00 C ATOM 267 CD GLN A 68 0.768 -6.911 8.405 1.00 0.00 C ATOM 268 OE1 GLN A 68 1.078 -7.518 9.412 1.00 0.00 O ATOM 269 NE2 GLN A 68 -0.057 -5.903 8.481 1.00 0.00 N ATOM 0 H GLN A 68 -1.184 -9.983 5.631 1.00 0.00 H new ATOM 0 HA GLN A 68 -1.319 -7.354 6.969 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.431 -9.277 7.161 1.00 0.00 H new ATOM 0 HB3 GLN A 68 0.962 -8.835 5.551 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.372 -7.640 7.152 1.00 0.00 H new ATOM 0 HG3 GLN A 68 1.338 -6.461 6.369 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -0.318 -5.393 7.637 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -0.441 -5.625 9.384 1.00 0.00 H new ATOM 278 N ILE A 69 -0.872 -7.568 3.743 1.00 0.00 N ATOM 279 CA ILE A 69 -0.857 -6.733 2.505 1.00 0.00 C ATOM 280 C ILE A 69 -2.235 -6.095 2.302 1.00 0.00 C ATOM 281 O ILE A 69 -2.357 -5.038 1.713 1.00 0.00 O ATOM 282 CB ILE A 69 -0.533 -7.701 1.361 1.00 0.00 C ATOM 283 CG1 ILE A 69 0.814 -8.384 1.627 1.00 0.00 C ATOM 284 CG2 ILE A 69 -0.451 -6.929 0.042 1.00 0.00 C ATOM 285 CD1 ILE A 69 0.977 -9.575 0.682 1.00 0.00 C ATOM 0 H ILE A 69 -0.876 -8.576 3.584 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.128 -5.925 2.557 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.319 -8.454 1.298 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.629 -7.675 1.480 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.866 -8.718 2.663 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.221 -7.619 -0.770 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.407 -6.443 -0.155 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.333 -6.174 0.110 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.934 -10.061 0.871 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.169 -10.287 0.851 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.944 -9.227 -0.351 1.00 0.00 H new ATOM 297 N LEU A 70 -3.272 -6.731 2.793 1.00 0.00 N ATOM 298 CA LEU A 70 -4.645 -6.164 2.639 1.00 0.00 C ATOM 299 C LEU A 70 -4.809 -4.940 3.543 1.00 0.00 C ATOM 300 O LEU A 70 -5.422 -3.959 3.167 1.00 0.00 O ATOM 301 CB LEU A 70 -5.596 -7.282 3.071 1.00 0.00 C ATOM 302 CG LEU A 70 -7.000 -6.995 2.534 1.00 0.00 C ATOM 303 CD1 LEU A 70 -6.990 -7.085 1.007 1.00 0.00 C ATOM 304 CD2 LEU A 70 -7.980 -8.027 3.097 1.00 0.00 C ATOM 0 H LEU A 70 -3.225 -7.618 3.294 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.844 -5.839 1.618 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.241 -8.241 2.695 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.619 -7.354 4.158 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.308 -5.995 2.838 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.990 -6.881 0.624 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.290 -6.353 0.604 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.683 -8.086 0.704 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.981 -7.824 2.716 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.671 -9.027 2.792 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.987 -7.966 4.185 1.00 0.00 H new ATOM 316 N LYS A 71 -4.259 -4.991 4.732 1.00 0.00 N ATOM 317 CA LYS A 71 -4.375 -3.825 5.663 1.00 0.00 C ATOM 318 C LYS A 71 -3.622 -2.626 5.085 1.00 0.00 C ATOM 319 O LYS A 71 -4.037 -1.493 5.230 1.00 0.00 O ATOM 320 CB LYS A 71 -3.730 -4.285 6.973 1.00 0.00 C ATOM 321 CG LYS A 71 -4.800 -4.886 7.886 1.00 0.00 C ATOM 322 CD LYS A 71 -5.572 -3.760 8.577 1.00 0.00 C ATOM 323 CE LYS A 71 -6.253 -4.305 9.835 1.00 0.00 C ATOM 324 NZ LYS A 71 -7.327 -3.322 10.147 1.00 0.00 N ATOM 0 H LYS A 71 -3.736 -5.787 5.097 1.00 0.00 H new ATOM 0 HA LYS A 71 -5.410 -3.517 5.814 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.955 -5.023 6.769 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.246 -3.443 7.468 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.483 -5.506 7.305 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.336 -5.534 8.630 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.894 -2.948 8.840 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.317 -3.345 7.898 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.666 -5.299 9.662 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.546 -4.393 10.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.840 -3.627 10.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.904 -2.387 10.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.988 -3.265 9.346 1.00 0.00 H new ATOM 338 N LEU A 72 -2.522 -2.876 4.423 1.00 0.00 N ATOM 339 CA LEU A 72 -1.737 -1.758 3.820 1.00 0.00 C ATOM 340 C LEU A 72 -2.513 -1.153 2.646 1.00 0.00 C ATOM 341 O LEU A 72 -2.367 0.014 2.332 1.00 0.00 O ATOM 342 CB LEU A 72 -0.435 -2.398 3.331 1.00 0.00 C ATOM 343 CG LEU A 72 0.681 -2.132 4.343 1.00 0.00 C ATOM 344 CD1 LEU A 72 1.818 -3.133 4.125 1.00 0.00 C ATOM 345 CD2 LEU A 72 1.214 -0.709 4.154 1.00 0.00 C ATOM 0 H LEU A 72 -2.133 -3.807 4.274 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.547 -0.954 4.531 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.573 -3.471 3.200 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.161 -1.991 2.358 1.00 0.00 H new ATOM 0 HG LEU A 72 0.287 -2.242 5.353 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.613 -2.943 4.846 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.441 -4.147 4.259 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.211 -3.023 3.114 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.009 -0.520 4.875 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.607 -0.599 3.143 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.406 0.006 4.309 1.00 0.00 H new ATOM 357 N GLU A 73 -3.340 -1.939 2.001 1.00 0.00 N ATOM 358 CA GLU A 73 -4.134 -1.414 0.848 1.00 0.00 C ATOM 359 C GLU A 73 -5.196 -0.435 1.348 1.00 0.00 C ATOM 360 O GLU A 73 -5.458 0.579 0.727 1.00 0.00 O ATOM 361 CB GLU A 73 -4.791 -2.643 0.215 1.00 0.00 C ATOM 362 CG GLU A 73 -5.004 -2.393 -1.279 1.00 0.00 C ATOM 363 CD GLU A 73 -6.215 -3.194 -1.763 1.00 0.00 C ATOM 364 OE1 GLU A 73 -6.037 -4.351 -2.104 1.00 0.00 O ATOM 365 OE2 GLU A 73 -7.299 -2.635 -1.785 1.00 0.00 O ATOM 0 H GLU A 73 -3.499 -2.922 2.224 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.513 -0.876 0.131 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -4.162 -3.521 0.362 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -5.745 -2.849 0.700 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.161 -1.330 -1.462 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.115 -2.685 -1.838 1.00 0.00 H new ATOM 372 N GLU A 74 -5.802 -0.730 2.468 1.00 0.00 N ATOM 373 CA GLU A 74 -6.848 0.187 3.020 1.00 0.00 C ATOM 374 C GLU A 74 -6.200 1.500 3.458 1.00 0.00 C ATOM 375 O GLU A 74 -6.729 2.571 3.231 1.00 0.00 O ATOM 376 CB GLU A 74 -7.446 -0.549 4.227 1.00 0.00 C ATOM 377 CG GLU A 74 -8.877 -0.989 3.909 1.00 0.00 C ATOM 378 CD GLU A 74 -9.521 -1.582 5.163 1.00 0.00 C ATOM 379 OE1 GLU A 74 -9.248 -1.078 6.241 1.00 0.00 O ATOM 380 OE2 GLU A 74 -10.276 -2.530 5.026 1.00 0.00 O ATOM 0 H GLU A 74 -5.620 -1.565 3.025 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.614 0.431 2.284 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -6.835 -1.417 4.474 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.442 0.103 5.101 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.460 -0.138 3.556 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.872 -1.727 3.107 1.00 0.00 H new ATOM 387 N LYS A 75 -5.053 1.417 4.078 1.00 0.00 N ATOM 388 CA LYS A 75 -4.350 2.654 4.531 1.00 0.00 C ATOM 389 C LYS A 75 -3.950 3.494 3.317 1.00 0.00 C ATOM 390 O LYS A 75 -3.976 4.710 3.357 1.00 0.00 O ATOM 391 CB LYS A 75 -3.109 2.163 5.281 1.00 0.00 C ATOM 392 CG LYS A 75 -2.815 3.102 6.452 1.00 0.00 C ATOM 393 CD LYS A 75 -3.797 2.823 7.591 1.00 0.00 C ATOM 394 CE LYS A 75 -3.795 4.001 8.569 1.00 0.00 C ATOM 395 NZ LYS A 75 -5.175 4.041 9.126 1.00 0.00 N ATOM 0 H LYS A 75 -4.571 0.544 4.291 1.00 0.00 H new ATOM 0 HA LYS A 75 -4.978 3.280 5.165 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.269 1.149 5.646 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.254 2.127 4.606 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.791 2.959 6.798 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.901 4.140 6.130 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.800 2.670 7.191 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.517 1.906 8.110 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.055 3.859 9.357 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.546 4.934 8.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.252 4.824 9.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.857 4.184 8.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.381 3.143 9.608 1.00 0.00 H new ATOM 409 N LEU A 76 -3.592 2.849 2.235 1.00 0.00 N ATOM 410 CA LEU A 76 -3.199 3.601 1.006 1.00 0.00 C ATOM 411 C LEU A 76 -4.445 4.200 0.353 1.00 0.00 C ATOM 412 O LEU A 76 -4.395 5.252 -0.257 1.00 0.00 O ATOM 413 CB LEU A 76 -2.555 2.565 0.085 1.00 0.00 C ATOM 414 CG LEU A 76 -1.951 3.267 -1.133 1.00 0.00 C ATOM 415 CD1 LEU A 76 -0.648 3.960 -0.730 1.00 0.00 C ATOM 416 CD2 LEU A 76 -1.662 2.234 -2.223 1.00 0.00 C ATOM 0 H LEU A 76 -3.555 1.833 2.151 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.516 4.423 1.221 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.781 2.017 0.622 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.299 1.835 -0.235 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.655 4.009 -1.511 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.218 4.460 -1.598 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.853 4.696 0.048 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.057 3.219 -0.352 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.232 2.732 -3.092 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.958 1.493 -1.844 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.590 1.740 -2.511 1.00 0.00 H new ATOM 428 N LEU A 77 -5.564 3.535 0.486 1.00 0.00 N ATOM 429 CA LEU A 77 -6.827 4.058 -0.116 1.00 0.00 C ATOM 430 C LEU A 77 -7.290 5.295 0.652 1.00 0.00 C ATOM 431 O LEU A 77 -7.830 6.224 0.082 1.00 0.00 O ATOM 432 CB LEU A 77 -7.845 2.923 0.025 1.00 0.00 C ATOM 433 CG LEU A 77 -9.073 3.229 -0.835 1.00 0.00 C ATOM 434 CD1 LEU A 77 -8.865 2.666 -2.242 1.00 0.00 C ATOM 435 CD2 LEU A 77 -10.308 2.582 -0.205 1.00 0.00 C ATOM 0 H LEU A 77 -5.657 2.651 0.986 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.699 4.352 -1.158 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.398 1.978 -0.284 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.138 2.810 1.069 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.216 4.308 -0.894 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -9.740 2.884 -2.854 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.984 3.125 -2.691 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.722 1.587 -2.185 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -11.184 2.799 -0.816 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.164 1.503 -0.147 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.457 2.982 0.798 1.00 0.00 H new ATOM 447 N ALA A 78 -7.071 5.313 1.941 1.00 0.00 N ATOM 448 CA ALA A 78 -7.487 6.493 2.758 1.00 0.00 C ATOM 449 C ALA A 78 -6.536 7.662 2.496 1.00 0.00 C ATOM 450 O ALA A 78 -6.923 8.814 2.556 1.00 0.00 O ATOM 451 CB ALA A 78 -7.388 6.034 4.214 1.00 0.00 C ATOM 0 H ALA A 78 -6.622 4.561 2.464 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.494 6.833 2.514 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.679 6.851 4.874 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -8.052 5.184 4.374 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.362 5.739 4.433 1.00 0.00 H new ATOM 457 N LEU A 79 -5.297 7.369 2.197 1.00 0.00 N ATOM 458 CA LEU A 79 -4.311 8.454 1.917 1.00 0.00 C ATOM 459 C LEU A 79 -4.554 9.021 0.517 1.00 0.00 C ATOM 460 O LEU A 79 -4.444 10.212 0.292 1.00 0.00 O ATOM 461 CB LEU A 79 -2.929 7.782 2.004 1.00 0.00 C ATOM 462 CG LEU A 79 -2.062 8.471 3.072 1.00 0.00 C ATOM 463 CD1 LEU A 79 -1.880 9.958 2.729 1.00 0.00 C ATOM 464 CD2 LEU A 79 -2.728 8.331 4.448 1.00 0.00 C ATOM 0 H LEU A 79 -4.925 6.421 2.135 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.393 9.284 2.619 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.046 6.726 2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.432 7.832 1.035 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.082 7.993 3.095 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.265 10.435 3.492 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.392 10.051 1.759 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.855 10.445 2.692 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.111 8.820 5.202 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.712 8.799 4.425 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.834 7.275 4.695 1.00 0.00 H new ATOM 476 N GLN A 80 -4.896 8.174 -0.421 1.00 0.00 N ATOM 477 CA GLN A 80 -5.162 8.657 -1.809 1.00 0.00 C ATOM 478 C GLN A 80 -6.485 9.424 -1.843 1.00 0.00 C ATOM 479 O GLN A 80 -6.667 10.332 -2.632 1.00 0.00 O ATOM 480 CB GLN A 80 -5.249 7.394 -2.670 1.00 0.00 C ATOM 481 CG GLN A 80 -4.897 7.738 -4.118 1.00 0.00 C ATOM 482 CD GLN A 80 -3.377 7.727 -4.292 1.00 0.00 C ATOM 483 OE1 GLN A 80 -2.693 6.919 -3.696 1.00 0.00 O ATOM 484 NE2 GLN A 80 -2.816 8.596 -5.088 1.00 0.00 N ATOM 0 H GLN A 80 -5.002 7.169 -0.285 1.00 0.00 H new ATOM 0 HA GLN A 80 -4.386 9.332 -2.169 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -4.567 6.634 -2.289 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -6.254 6.975 -2.619 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -5.356 7.018 -4.796 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -5.296 8.719 -4.377 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -3.390 9.274 -5.588 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -1.803 8.597 -5.210 1.00 0.00 H new ATOM 493 N GLU A 81 -7.406 9.067 -0.983 1.00 0.00 N ATOM 494 CA GLU A 81 -8.721 9.775 -0.949 1.00 0.00 C ATOM 495 C GLU A 81 -8.532 11.189 -0.395 1.00 0.00 C ATOM 496 O GLU A 81 -9.254 12.104 -0.744 1.00 0.00 O ATOM 497 CB GLU A 81 -9.606 8.945 -0.016 1.00 0.00 C ATOM 498 CG GLU A 81 -10.494 8.015 -0.844 1.00 0.00 C ATOM 499 CD GLU A 81 -11.851 8.679 -1.084 1.00 0.00 C ATOM 500 OE1 GLU A 81 -11.876 9.710 -1.735 1.00 0.00 O ATOM 501 OE2 GLU A 81 -12.841 8.146 -0.612 1.00 0.00 O ATOM 0 H GLU A 81 -7.303 8.314 -0.302 1.00 0.00 H new ATOM 0 HA GLU A 81 -9.165 9.871 -1.940 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -8.987 8.362 0.665 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.222 9.602 0.597 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -10.014 7.791 -1.797 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -10.629 7.067 -0.324 1.00 0.00 H new ATOM 508 N GLU A 82 -7.559 11.371 0.463 1.00 0.00 N ATOM 509 CA GLU A 82 -7.310 12.727 1.042 1.00 0.00 C ATOM 510 C GLU A 82 -6.789 13.667 -0.048 1.00 0.00 C ATOM 511 O GLU A 82 -7.215 14.801 -0.155 1.00 0.00 O ATOM 512 CB GLU A 82 -6.250 12.517 2.130 1.00 0.00 C ATOM 513 CG GLU A 82 -6.904 12.602 3.512 1.00 0.00 C ATOM 514 CD GLU A 82 -6.016 11.899 4.541 1.00 0.00 C ATOM 515 OE1 GLU A 82 -4.814 12.103 4.495 1.00 0.00 O ATOM 516 OE2 GLU A 82 -6.555 11.169 5.357 1.00 0.00 O ATOM 0 H GLU A 82 -6.927 10.639 0.787 1.00 0.00 H new ATOM 0 HA GLU A 82 -8.215 13.177 1.450 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.772 11.546 2.003 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.468 13.271 2.040 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -7.050 13.645 3.794 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -7.890 12.137 3.489 1.00 0.00 H new ATOM 523 N LYS A 83 -5.876 13.198 -0.862 1.00 0.00 N ATOM 524 CA LYS A 83 -5.333 14.059 -1.957 1.00 0.00 C ATOM 525 C LYS A 83 -6.446 14.387 -2.953 1.00 0.00 C ATOM 526 O LYS A 83 -6.444 15.433 -3.577 1.00 0.00 O ATOM 527 CB LYS A 83 -4.237 13.226 -2.626 1.00 0.00 C ATOM 528 CG LYS A 83 -3.573 14.048 -3.733 1.00 0.00 C ATOM 529 CD LYS A 83 -2.316 13.327 -4.221 1.00 0.00 C ATOM 530 CE LYS A 83 -2.716 12.123 -5.077 1.00 0.00 C ATOM 531 NZ LYS A 83 -1.430 11.478 -5.459 1.00 0.00 N ATOM 0 H LYS A 83 -5.484 12.258 -0.816 1.00 0.00 H new ATOM 0 HA LYS A 83 -4.941 15.006 -1.585 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.494 12.924 -1.888 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -4.663 12.313 -3.042 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -4.268 14.191 -4.561 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -3.315 15.039 -3.359 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.695 14.009 -4.802 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -1.719 12.999 -3.370 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -3.352 11.436 -4.519 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -3.278 12.434 -5.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -1.622 10.643 -6.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.848 12.154 -5.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -0.920 11.186 -4.601 1.00 0.00 H new ATOM 545 N HIS A 84 -7.398 13.501 -3.099 1.00 0.00 N ATOM 546 CA HIS A 84 -8.524 13.756 -4.048 1.00 0.00 C ATOM 547 C HIS A 84 -9.337 14.961 -3.576 1.00 0.00 C ATOM 548 O HIS A 84 -9.871 15.711 -4.370 1.00 0.00 O ATOM 549 CB HIS A 84 -9.377 12.485 -4.019 1.00 0.00 C ATOM 550 CG HIS A 84 -10.392 12.537 -5.127 1.00 0.00 C ATOM 551 ND1 HIS A 84 -11.730 12.244 -4.919 1.00 0.00 N ATOM 552 CD2 HIS A 84 -10.279 12.846 -6.461 1.00 0.00 C ATOM 553 CE1 HIS A 84 -12.364 12.381 -6.097 1.00 0.00 C ATOM 554 NE2 HIS A 84 -11.526 12.747 -7.071 1.00 0.00 N ATOM 0 H HIS A 84 -7.444 12.612 -2.602 1.00 0.00 H new ATOM 0 HA HIS A 84 -8.173 13.978 -5.056 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -8.743 11.606 -4.133 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -9.879 12.393 -3.056 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -9.362 13.123 -6.960 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -13.422 12.215 -6.238 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -11.752 12.917 -8.051 1.00 0.00 H new ATOM 562 N GLN A 85 -9.425 15.152 -2.284 1.00 0.00 N ATOM 563 CA GLN A 85 -10.194 16.313 -1.745 1.00 0.00 C ATOM 564 C GLN A 85 -9.407 17.605 -1.975 1.00 0.00 C ATOM 565 O GLN A 85 -9.973 18.649 -2.237 1.00 0.00 O ATOM 566 CB GLN A 85 -10.351 16.036 -0.248 1.00 0.00 C ATOM 567 CG GLN A 85 -11.670 15.302 0.000 1.00 0.00 C ATOM 568 CD GLN A 85 -12.802 16.321 0.146 1.00 0.00 C ATOM 569 OE1 GLN A 85 -13.147 16.709 1.245 1.00 0.00 O ATOM 570 NE2 GLN A 85 -13.397 16.775 -0.922 1.00 0.00 N ATOM 0 H GLN A 85 -8.997 14.553 -1.579 1.00 0.00 H new ATOM 0 HA GLN A 85 -11.162 16.432 -2.232 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -9.515 15.435 0.111 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -10.333 16.972 0.310 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -11.882 14.623 -0.826 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -11.596 14.693 0.901 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -13.108 16.450 -1.844 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -14.152 17.456 -0.835 1.00 0.00 H new ATOM 579 N LEU A 86 -8.104 17.534 -1.883 1.00 0.00 N ATOM 580 CA LEU A 86 -7.265 18.752 -2.103 1.00 0.00 C ATOM 581 C LEU A 86 -7.288 19.133 -3.585 1.00 0.00 C ATOM 582 O LEU A 86 -7.235 20.297 -3.936 1.00 0.00 O ATOM 583 CB LEU A 86 -5.848 18.353 -1.671 1.00 0.00 C ATOM 584 CG LEU A 86 -5.523 18.988 -0.318 1.00 0.00 C ATOM 585 CD1 LEU A 86 -4.238 18.371 0.239 1.00 0.00 C ATOM 586 CD2 LEU A 86 -5.326 20.494 -0.499 1.00 0.00 C ATOM 0 H LEU A 86 -7.583 16.684 -1.665 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.627 19.613 -1.541 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.770 17.268 -1.602 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.125 18.677 -2.419 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.344 18.807 0.376 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.006 18.823 1.203 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.375 17.297 0.365 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.417 18.553 -0.454 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.094 20.949 0.464 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.504 20.673 -1.192 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -6.239 20.935 -0.898 1.00 0.00 H new ATOM 598 N PHE A 87 -7.371 18.156 -4.452 1.00 0.00 N ATOM 599 CA PHE A 87 -7.402 18.450 -5.918 1.00 0.00 C ATOM 600 C PHE A 87 -8.716 19.149 -6.277 1.00 0.00 C ATOM 601 O PHE A 87 -8.764 19.988 -7.156 1.00 0.00 O ATOM 602 CB PHE A 87 -7.305 17.083 -6.609 1.00 0.00 C ATOM 603 CG PHE A 87 -6.231 17.122 -7.672 1.00 0.00 C ATOM 604 CD1 PHE A 87 -6.493 17.716 -8.912 1.00 0.00 C ATOM 605 CD2 PHE A 87 -4.973 16.562 -7.415 1.00 0.00 C ATOM 606 CE1 PHE A 87 -5.497 17.751 -9.895 1.00 0.00 C ATOM 607 CE2 PHE A 87 -3.978 16.597 -8.399 1.00 0.00 C ATOM 608 CZ PHE A 87 -4.240 17.191 -9.639 1.00 0.00 C ATOM 0 H PHE A 87 -7.419 17.167 -4.208 1.00 0.00 H new ATOM 0 HA PHE A 87 -6.592 19.110 -6.227 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -7.076 16.310 -5.876 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -8.264 16.823 -7.057 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -7.463 18.147 -9.110 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.771 16.104 -6.458 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.699 18.210 -10.851 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -3.008 16.166 -8.201 1.00 0.00 H new ATOM 0 HZ PHE A 87 -3.472 17.217 -10.398 1.00 0.00 H new ATOM 618 N LEU A 88 -9.778 18.812 -5.591 1.00 0.00 N ATOM 619 CA LEU A 88 -11.094 19.457 -5.874 1.00 0.00 C ATOM 620 C LEU A 88 -11.144 20.839 -5.220 1.00 0.00 C ATOM 621 O LEU A 88 -11.798 21.744 -5.705 1.00 0.00 O ATOM 622 CB LEU A 88 -12.138 18.528 -5.252 1.00 0.00 C ATOM 623 CG LEU A 88 -13.368 18.460 -6.158 1.00 0.00 C ATOM 624 CD1 LEU A 88 -13.069 17.562 -7.361 1.00 0.00 C ATOM 625 CD2 LEU A 88 -14.548 17.881 -5.373 1.00 0.00 C ATOM 0 H LEU A 88 -9.790 18.116 -4.845 1.00 0.00 H new ATOM 0 HA LEU A 88 -11.267 19.599 -6.941 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -11.718 17.531 -5.116 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -12.421 18.892 -4.264 1.00 0.00 H new ATOM 0 HG LEU A 88 -13.617 19.462 -6.506 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -13.946 17.514 -8.006 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -12.229 17.972 -7.921 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -12.819 16.560 -7.014 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -15.425 17.832 -6.018 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -14.297 16.879 -5.025 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -14.763 18.519 -4.516 1.00 0.00 H new ATOM 637 N GLN A 89 -10.451 21.005 -4.123 1.00 0.00 N ATOM 638 CA GLN A 89 -10.441 22.325 -3.424 1.00 0.00 C ATOM 639 C GLN A 89 -9.314 23.221 -3.963 1.00 0.00 C ATOM 640 O GLN A 89 -9.238 24.389 -3.629 1.00 0.00 O ATOM 641 CB GLN A 89 -10.198 21.989 -1.953 1.00 0.00 C ATOM 642 CG GLN A 89 -11.513 21.556 -1.303 1.00 0.00 C ATOM 643 CD GLN A 89 -11.427 21.754 0.212 1.00 0.00 C ATOM 644 OE1 GLN A 89 -12.371 22.201 0.833 1.00 0.00 O ATOM 645 NE2 GLN A 89 -10.326 21.437 0.838 1.00 0.00 N ATOM 0 H GLN A 89 -9.889 20.279 -3.679 1.00 0.00 H new ATOM 0 HA GLN A 89 -11.371 22.872 -3.575 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -9.459 21.192 -1.869 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -9.792 22.857 -1.433 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -12.340 22.138 -1.709 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.716 20.510 -1.532 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -9.533 21.062 0.317 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -10.259 21.565 1.848 1.00 0.00 H new ATOM 654 N LEU A 90 -8.435 22.691 -4.788 1.00 0.00 N ATOM 655 CA LEU A 90 -7.316 23.524 -5.338 1.00 0.00 C ATOM 656 C LEU A 90 -7.871 24.760 -6.057 1.00 0.00 C ATOM 657 O LEU A 90 -8.839 24.613 -6.786 1.00 0.00 O ATOM 658 CB LEU A 90 -6.585 22.613 -6.331 1.00 0.00 C ATOM 659 CG LEU A 90 -5.385 23.355 -6.926 1.00 0.00 C ATOM 660 CD1 LEU A 90 -4.369 23.661 -5.823 1.00 0.00 C ATOM 661 CD2 LEU A 90 -4.727 22.480 -7.997 1.00 0.00 C ATOM 662 OXT LEU A 90 -7.319 25.831 -5.864 1.00 0.00 O ATOM 0 H LEU A 90 -8.446 21.721 -5.102 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.654 23.885 -4.551 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.251 21.705 -5.828 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.265 22.305 -7.125 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.723 24.290 -7.374 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -3.516 24.189 -6.250 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.837 24.284 -5.060 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.030 22.728 -5.372 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.872 23.006 -8.422 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.391 21.546 -7.547 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.449 22.265 -8.785 1.00 0.00 H new ATOM 675 N GLY B 166 -9.390 27.816 -4.927 1.00 0.00 N ATOM 676 CA GLY B 166 -8.840 27.386 -3.610 1.00 0.00 C ATOM 677 C GLY B 166 -8.854 28.568 -2.640 1.00 0.00 C ATOM 678 O GLY B 166 -9.865 29.222 -2.464 1.00 0.00 O ATOM 0 HA2 GLY B 166 -9.433 26.565 -3.207 1.00 0.00 H new ATOM 0 HA3 GLY B 166 -7.823 27.015 -3.733 1.00 0.00 H new ATOM 684 N LEU B 167 -7.739 28.844 -2.013 1.00 0.00 N ATOM 685 CA LEU B 167 -7.681 29.991 -1.049 1.00 0.00 C ATOM 686 C LEU B 167 -6.676 31.043 -1.533 1.00 0.00 C ATOM 687 O LEU B 167 -6.844 32.224 -1.287 1.00 0.00 O ATOM 688 CB LEU B 167 -7.267 29.434 0.344 1.00 0.00 C ATOM 689 CG LEU B 167 -6.459 28.122 0.256 1.00 0.00 C ATOM 690 CD1 LEU B 167 -5.070 28.394 -0.333 1.00 0.00 C ATOM 691 CD2 LEU B 167 -6.309 27.533 1.663 1.00 0.00 C ATOM 0 H LEU B 167 -6.867 28.328 -2.125 1.00 0.00 H new ATOM 0 HA LEU B 167 -8.656 30.473 -0.979 1.00 0.00 H new ATOM 0 HB2 LEU B 167 -6.674 30.184 0.867 1.00 0.00 H new ATOM 0 HB3 LEU B 167 -8.163 29.263 0.941 1.00 0.00 H new ATOM 0 HG LEU B 167 -6.984 27.419 -0.390 1.00 0.00 H new ATOM 0 HD11 LEU B 167 -4.510 27.461 -0.390 1.00 0.00 H new ATOM 0 HD12 LEU B 167 -5.175 28.816 -1.333 1.00 0.00 H new ATOM 0 HD13 LEU B 167 -4.536 29.099 0.304 1.00 0.00 H new ATOM 0 HD21 LEU B 167 -5.739 26.605 1.610 1.00 0.00 H new ATOM 0 HD22 LEU B 167 -5.786 28.245 2.301 1.00 0.00 H new ATOM 0 HD23 LEU B 167 -7.296 27.330 2.079 1.00 0.00 H new ATOM 703 N SER B 168 -5.639 30.630 -2.218 1.00 0.00 N ATOM 704 CA SER B 168 -4.628 31.617 -2.719 1.00 0.00 C ATOM 705 C SER B 168 -3.672 30.985 -3.744 1.00 0.00 C ATOM 706 O SER B 168 -2.610 31.519 -4.006 1.00 0.00 O ATOM 707 CB SER B 168 -3.855 32.049 -1.474 1.00 0.00 C ATOM 708 OG SER B 168 -4.467 33.206 -0.919 1.00 0.00 O ATOM 0 H SER B 168 -5.447 29.656 -2.452 1.00 0.00 H new ATOM 0 HA SER B 168 -5.109 32.451 -3.230 1.00 0.00 H new ATOM 0 HB2 SER B 168 -3.844 31.242 -0.741 1.00 0.00 H new ATOM 0 HB3 SER B 168 -2.817 32.260 -1.731 1.00 0.00 H new ATOM 0 HG SER B 168 -5.410 33.018 -0.728 1.00 0.00 H new ATOM 714 N LYS B 169 -4.028 29.859 -4.327 1.00 0.00 N ATOM 715 CA LYS B 169 -3.133 29.191 -5.333 1.00 0.00 C ATOM 716 C LYS B 169 -1.696 29.088 -4.807 1.00 0.00 C ATOM 717 O LYS B 169 -0.747 29.052 -5.567 1.00 0.00 O ATOM 718 CB LYS B 169 -3.188 30.080 -6.575 1.00 0.00 C ATOM 719 CG LYS B 169 -2.760 29.266 -7.799 1.00 0.00 C ATOM 720 CD LYS B 169 -3.790 28.167 -8.069 1.00 0.00 C ATOM 721 CE LYS B 169 -3.619 27.646 -9.498 1.00 0.00 C ATOM 722 NZ LYS B 169 -4.939 27.049 -9.849 1.00 0.00 N ATOM 0 H LYS B 169 -4.906 29.372 -4.147 1.00 0.00 H new ATOM 0 HA LYS B 169 -3.458 28.172 -5.545 1.00 0.00 H new ATOM 0 HB2 LYS B 169 -4.198 30.466 -6.716 1.00 0.00 H new ATOM 0 HB3 LYS B 169 -2.532 30.941 -6.449 1.00 0.00 H new ATOM 0 HG2 LYS B 169 -2.671 29.917 -8.669 1.00 0.00 H new ATOM 0 HG3 LYS B 169 -1.778 28.825 -7.630 1.00 0.00 H new ATOM 0 HD2 LYS B 169 -3.663 27.352 -7.356 1.00 0.00 H new ATOM 0 HD3 LYS B 169 -4.798 28.557 -7.931 1.00 0.00 H new ATOM 0 HE2 LYS B 169 -3.355 28.451 -10.183 1.00 0.00 H new ATOM 0 HE3 LYS B 169 -2.822 26.904 -9.556 1.00 0.00 H new ATOM 0 HZ1 LYS B 169 -4.902 26.669 -10.816 1.00 0.00 H new ATOM 0 HZ2 LYS B 169 -5.161 26.281 -9.184 1.00 0.00 H new ATOM 0 HZ3 LYS B 169 -5.677 27.780 -9.792 1.00 0.00 H new ATOM 736 N GLU B 170 -1.541 29.045 -3.510 1.00 0.00 N ATOM 737 CA GLU B 170 -0.178 28.948 -2.914 1.00 0.00 C ATOM 738 C GLU B 170 -0.254 28.226 -1.570 1.00 0.00 C ATOM 739 O GLU B 170 0.518 27.325 -1.297 1.00 0.00 O ATOM 740 CB GLU B 170 0.278 30.396 -2.725 1.00 0.00 C ATOM 741 CG GLU B 170 1.770 30.508 -3.041 1.00 0.00 C ATOM 742 CD GLU B 170 2.584 30.179 -1.788 1.00 0.00 C ATOM 743 OE1 GLU B 170 2.321 29.151 -1.187 1.00 0.00 O ATOM 744 OE2 GLU B 170 3.456 30.964 -1.449 1.00 0.00 O ATOM 0 H GLU B 170 -2.305 29.073 -2.835 1.00 0.00 H new ATOM 0 HA GLU B 170 0.515 28.387 -3.542 1.00 0.00 H new ATOM 0 HB2 GLU B 170 -0.293 31.056 -3.378 1.00 0.00 H new ATOM 0 HB3 GLU B 170 0.087 30.717 -1.701 1.00 0.00 H new ATOM 0 HG2 GLU B 170 2.034 29.825 -3.848 1.00 0.00 H new ATOM 0 HG3 GLU B 170 2.005 31.515 -3.386 1.00 0.00 H new ATOM 751 N GLU B 171 -1.185 28.612 -0.734 1.00 0.00 N ATOM 752 CA GLU B 171 -1.321 27.941 0.591 1.00 0.00 C ATOM 753 C GLU B 171 -1.842 26.520 0.385 1.00 0.00 C ATOM 754 O GLU B 171 -1.435 25.594 1.062 1.00 0.00 O ATOM 755 CB GLU B 171 -2.326 28.784 1.379 1.00 0.00 C ATOM 756 CG GLU B 171 -1.573 29.777 2.267 1.00 0.00 C ATOM 757 CD GLU B 171 -1.415 31.106 1.528 1.00 0.00 C ATOM 758 OE1 GLU B 171 -0.921 31.087 0.413 1.00 0.00 O ATOM 759 OE2 GLU B 171 -1.792 32.122 2.089 1.00 0.00 O ATOM 0 H GLU B 171 -1.854 29.361 -0.913 1.00 0.00 H new ATOM 0 HA GLU B 171 -0.372 27.867 1.123 1.00 0.00 H new ATOM 0 HB2 GLU B 171 -2.984 29.319 0.694 1.00 0.00 H new ATOM 0 HB3 GLU B 171 -2.958 28.139 1.990 1.00 0.00 H new ATOM 0 HG2 GLU B 171 -2.115 29.930 3.200 1.00 0.00 H new ATOM 0 HG3 GLU B 171 -0.594 29.376 2.529 1.00 0.00 H new ATOM 766 N LEU B 172 -2.724 26.345 -0.563 1.00 0.00 N ATOM 767 CA LEU B 172 -3.265 24.983 -0.846 1.00 0.00 C ATOM 768 C LEU B 172 -2.196 24.157 -1.569 1.00 0.00 C ATOM 769 O LEU B 172 -2.153 22.947 -1.458 1.00 0.00 O ATOM 770 CB LEU B 172 -4.482 25.204 -1.754 1.00 0.00 C ATOM 771 CG LEU B 172 -5.770 24.927 -0.973 1.00 0.00 C ATOM 772 CD1 LEU B 172 -6.979 25.249 -1.853 1.00 0.00 C ATOM 773 CD2 LEU B 172 -5.817 23.450 -0.572 1.00 0.00 C ATOM 0 H LEU B 172 -3.094 27.088 -1.155 1.00 0.00 H new ATOM 0 HA LEU B 172 -3.542 24.446 0.061 1.00 0.00 H new ATOM 0 HB2 LEU B 172 -4.486 26.228 -2.129 1.00 0.00 H new ATOM 0 HB3 LEU B 172 -4.424 24.547 -2.622 1.00 0.00 H new ATOM 0 HG LEU B 172 -5.792 25.550 -0.079 1.00 0.00 H new ATOM 0 HD11 LEU B 172 -7.896 25.052 -1.298 1.00 0.00 H new ATOM 0 HD12 LEU B 172 -6.949 26.299 -2.143 1.00 0.00 H new ATOM 0 HD13 LEU B 172 -6.955 24.625 -2.747 1.00 0.00 H new ATOM 0 HD21 LEU B 172 -6.734 23.253 -0.016 1.00 0.00 H new ATOM 0 HD22 LEU B 172 -5.795 22.829 -1.468 1.00 0.00 H new ATOM 0 HD23 LEU B 172 -4.956 23.215 0.054 1.00 0.00 H new ATOM 785 N ILE B 173 -1.326 24.813 -2.298 1.00 0.00 N ATOM 786 CA ILE B 173 -0.245 24.080 -3.022 1.00 0.00 C ATOM 787 C ILE B 173 0.738 23.493 -2.008 1.00 0.00 C ATOM 788 O ILE B 173 1.320 22.448 -2.227 1.00 0.00 O ATOM 789 CB ILE B 173 0.453 25.131 -3.897 1.00 0.00 C ATOM 790 CG1 ILE B 173 -0.561 25.793 -4.850 1.00 0.00 C ATOM 791 CG2 ILE B 173 1.564 24.463 -4.715 1.00 0.00 C ATOM 792 CD1 ILE B 173 -1.205 24.742 -5.761 1.00 0.00 C ATOM 0 H ILE B 173 -1.319 25.825 -2.422 1.00 0.00 H new ATOM 0 HA ILE B 173 -0.633 23.257 -3.623 1.00 0.00 H new ATOM 0 HB ILE B 173 0.883 25.897 -3.251 1.00 0.00 H new ATOM 0 HG12 ILE B 173 -1.332 26.304 -4.273 1.00 0.00 H new ATOM 0 HG13 ILE B 173 -0.061 26.550 -5.454 1.00 0.00 H new ATOM 0 HG21 ILE B 173 2.058 25.210 -5.336 1.00 0.00 H new ATOM 0 HG22 ILE B 173 2.292 24.012 -4.040 1.00 0.00 H new ATOM 0 HG23 ILE B 173 1.133 23.691 -5.352 1.00 0.00 H new ATOM 0 HD11 ILE B 173 -1.918 25.226 -6.428 1.00 0.00 H new ATOM 0 HD12 ILE B 173 -0.432 24.250 -6.352 1.00 0.00 H new ATOM 0 HD13 ILE B 173 -1.723 24.001 -5.152 1.00 0.00 H new ATOM 804 N GLN B 174 0.918 24.162 -0.898 1.00 0.00 N ATOM 805 CA GLN B 174 1.858 23.651 0.144 1.00 0.00 C ATOM 806 C GLN B 174 1.230 22.466 0.877 1.00 0.00 C ATOM 807 O GLN B 174 1.917 21.564 1.318 1.00 0.00 O ATOM 808 CB GLN B 174 2.076 24.825 1.102 1.00 0.00 C ATOM 809 CG GLN B 174 3.540 24.853 1.551 1.00 0.00 C ATOM 810 CD GLN B 174 4.412 25.392 0.417 1.00 0.00 C ATOM 811 OE1 GLN B 174 4.124 25.175 -0.743 1.00 0.00 O ATOM 812 NE2 GLN B 174 5.477 26.091 0.703 1.00 0.00 N ATOM 0 H GLN B 174 0.454 25.041 -0.668 1.00 0.00 H new ATOM 0 HA GLN B 174 2.798 23.302 -0.283 1.00 0.00 H new ATOM 0 HB2 GLN B 174 1.818 25.763 0.610 1.00 0.00 H new ATOM 0 HB3 GLN B 174 1.421 24.728 1.968 1.00 0.00 H new ATOM 0 HG2 GLN B 174 3.648 25.480 2.436 1.00 0.00 H new ATOM 0 HG3 GLN B 174 3.865 23.850 1.829 1.00 0.00 H new ATOM 0 HE21 GLN B 174 5.720 26.274 1.676 1.00 0.00 H new ATOM 0 HE22 GLN B 174 6.065 26.454 -0.047 1.00 0.00 H new ATOM 821 N ASN B 175 -0.073 22.462 1.005 1.00 0.00 N ATOM 822 CA ASN B 175 -0.756 21.333 1.706 1.00 0.00 C ATOM 823 C ASN B 175 -0.782 20.100 0.803 1.00 0.00 C ATOM 824 O ASN B 175 -0.683 18.979 1.266 1.00 0.00 O ATOM 825 CB ASN B 175 -2.176 21.829 1.984 1.00 0.00 C ATOM 826 CG ASN B 175 -2.159 22.778 3.184 1.00 0.00 C ATOM 827 OD1 ASN B 175 -1.391 22.595 4.106 1.00 0.00 O ATOM 828 ND2 ASN B 175 -2.982 23.791 3.210 1.00 0.00 N ATOM 0 H ASN B 175 -0.693 23.192 0.654 1.00 0.00 H new ATOM 0 HA ASN B 175 -0.245 21.047 2.625 1.00 0.00 H new ATOM 0 HB2 ASN B 175 -2.572 22.341 1.107 1.00 0.00 H new ATOM 0 HB3 ASN B 175 -2.835 20.984 2.184 1.00 0.00 H new ATOM 0 HD21 ASN B 175 -2.980 24.429 4.005 1.00 0.00 H new ATOM 0 HD22 ASN B 175 -3.627 23.944 2.435 1.00 0.00 H new ATOM 835 N MET B 176 -0.904 20.302 -0.483 1.00 0.00 N ATOM 836 CA MET B 176 -0.925 19.143 -1.428 1.00 0.00 C ATOM 837 C MET B 176 0.473 18.524 -1.519 1.00 0.00 C ATOM 838 O MET B 176 0.621 17.348 -1.795 1.00 0.00 O ATOM 839 CB MET B 176 -1.349 19.727 -2.783 1.00 0.00 C ATOM 840 CG MET B 176 -2.785 19.293 -3.110 1.00 0.00 C ATOM 841 SD MET B 176 -2.927 18.914 -4.877 1.00 0.00 S ATOM 842 CE MET B 176 -4.308 20.024 -5.237 1.00 0.00 C ATOM 0 H MET B 176 -0.990 21.219 -0.921 1.00 0.00 H new ATOM 0 HA MET B 176 -1.606 18.356 -1.103 1.00 0.00 H new ATOM 0 HB2 MET B 176 -1.285 20.815 -2.756 1.00 0.00 H new ATOM 0 HB3 MET B 176 -0.670 19.387 -3.565 1.00 0.00 H new ATOM 0 HG2 MET B 176 -3.053 18.418 -2.519 1.00 0.00 H new ATOM 0 HG3 MET B 176 -3.484 20.085 -2.842 1.00 0.00 H new ATOM 0 HE1 MET B 176 -4.817 19.690 -6.141 1.00 0.00 H new ATOM 0 HE2 MET B 176 -5.008 20.016 -4.402 1.00 0.00 H new ATOM 0 HE3 MET B 176 -3.932 21.036 -5.386 1.00 0.00 H new ATOM 852 N ASP B 177 1.496 19.307 -1.286 1.00 0.00 N ATOM 853 CA ASP B 177 2.889 18.769 -1.356 1.00 0.00 C ATOM 854 C ASP B 177 3.146 17.820 -0.183 1.00 0.00 C ATOM 855 O ASP B 177 3.896 16.868 -0.300 1.00 0.00 O ATOM 856 CB ASP B 177 3.803 19.993 -1.265 1.00 0.00 C ATOM 857 CG ASP B 177 4.176 20.457 -2.675 1.00 0.00 C ATOM 858 OD1 ASP B 177 3.335 21.059 -3.321 1.00 0.00 O ATOM 859 OD2 ASP B 177 5.297 20.203 -3.083 1.00 0.00 O ATOM 0 H ASP B 177 1.427 20.297 -1.050 1.00 0.00 H new ATOM 0 HA ASP B 177 3.064 18.203 -2.271 1.00 0.00 H new ATOM 0 HB2 ASP B 177 3.300 20.797 -0.727 1.00 0.00 H new ATOM 0 HB3 ASP B 177 4.703 19.747 -0.701 1.00 0.00 H new ATOM 864 N ARG B 178 2.526 18.070 0.941 1.00 0.00 N ATOM 865 CA ARG B 178 2.730 17.180 2.125 1.00 0.00 C ATOM 866 C ARG B 178 1.900 15.906 1.969 1.00 0.00 C ATOM 867 O ARG B 178 2.267 14.853 2.456 1.00 0.00 O ATOM 868 CB ARG B 178 2.251 17.994 3.330 1.00 0.00 C ATOM 869 CG ARG B 178 3.457 18.598 4.055 1.00 0.00 C ATOM 870 CD ARG B 178 3.780 19.971 3.460 1.00 0.00 C ATOM 871 NE ARG B 178 4.926 19.730 2.540 1.00 0.00 N ATOM 872 CZ ARG B 178 6.146 19.965 2.941 1.00 0.00 C ATOM 873 NH1 ARG B 178 6.565 19.474 4.075 1.00 0.00 N ATOM 874 NH2 ARG B 178 6.947 20.689 2.208 1.00 0.00 N ATOM 0 H ARG B 178 1.888 18.851 1.091 1.00 0.00 H new ATOM 0 HA ARG B 178 3.770 16.873 2.237 1.00 0.00 H new ATOM 0 HB2 ARG B 178 1.577 18.786 3.002 1.00 0.00 H new ATOM 0 HB3 ARG B 178 1.687 17.357 4.011 1.00 0.00 H new ATOM 0 HG2 ARG B 178 3.244 18.693 5.120 1.00 0.00 H new ATOM 0 HG3 ARG B 178 4.319 17.938 3.960 1.00 0.00 H new ATOM 0 HD2 ARG B 178 2.923 20.381 2.925 1.00 0.00 H new ATOM 0 HD3 ARG B 178 4.042 20.687 4.239 1.00 0.00 H new ATOM 0 HE ARG B 178 4.758 19.381 1.596 1.00 0.00 H new ATOM 0 HH11 ARG B 178 5.940 18.907 4.647 1.00 0.00 H new ATOM 0 HH12 ARG B 178 7.518 19.657 4.389 1.00 0.00 H new ATOM 0 HH21 ARG B 178 6.620 21.072 1.321 1.00 0.00 H new ATOM 0 HH22 ARG B 178 7.900 20.872 2.522 1.00 0.00 H new ATOM 888 N VAL B 179 0.793 15.994 1.282 1.00 0.00 N ATOM 889 CA VAL B 179 -0.060 14.787 1.075 1.00 0.00 C ATOM 890 C VAL B 179 0.535 13.925 -0.043 1.00 0.00 C ATOM 891 O VAL B 179 0.330 12.727 -0.087 1.00 0.00 O ATOM 892 CB VAL B 179 -1.436 15.329 0.675 1.00 0.00 C ATOM 893 CG1 VAL B 179 -2.397 14.166 0.417 1.00 0.00 C ATOM 894 CG2 VAL B 179 -1.990 16.198 1.808 1.00 0.00 C ATOM 0 H VAL B 179 0.442 16.851 0.854 1.00 0.00 H new ATOM 0 HA VAL B 179 -0.125 14.161 1.965 1.00 0.00 H new ATOM 0 HB VAL B 179 -1.336 15.925 -0.232 1.00 0.00 H new ATOM 0 HG11 VAL B 179 -3.374 14.557 0.133 1.00 0.00 H new ATOM 0 HG12 VAL B 179 -2.007 13.544 -0.389 1.00 0.00 H new ATOM 0 HG13 VAL B 179 -2.495 13.567 1.323 1.00 0.00 H new ATOM 0 HG21 VAL B 179 -2.969 16.584 1.525 1.00 0.00 H new ATOM 0 HG22 VAL B 179 -2.085 15.599 2.713 1.00 0.00 H new ATOM 0 HG23 VAL B 179 -1.311 17.030 1.993 1.00 0.00 H new ATOM 904 N ASP B 180 1.274 14.526 -0.943 1.00 0.00 N ATOM 905 CA ASP B 180 1.888 13.743 -2.055 1.00 0.00 C ATOM 906 C ASP B 180 3.123 12.998 -1.552 1.00 0.00 C ATOM 907 O ASP B 180 3.371 11.869 -1.932 1.00 0.00 O ATOM 908 CB ASP B 180 2.274 14.778 -3.114 1.00 0.00 C ATOM 909 CG ASP B 180 2.846 14.066 -4.341 1.00 0.00 C ATOM 910 OD1 ASP B 180 2.084 13.405 -5.026 1.00 0.00 O ATOM 911 OD2 ASP B 180 4.037 14.193 -4.573 1.00 0.00 O ATOM 0 H ASP B 180 1.477 15.525 -0.954 1.00 0.00 H new ATOM 0 HA ASP B 180 1.206 12.994 -2.457 1.00 0.00 H new ATOM 0 HB2 ASP B 180 1.402 15.367 -3.396 1.00 0.00 H new ATOM 0 HB3 ASP B 180 3.010 15.472 -2.708 1.00 0.00 H new ATOM 916 N ARG B 181 3.897 13.620 -0.697 1.00 0.00 N ATOM 917 CA ARG B 181 5.116 12.940 -0.166 1.00 0.00 C ATOM 918 C ARG B 181 4.718 11.847 0.836 1.00 0.00 C ATOM 919 O ARG B 181 5.448 10.896 1.046 1.00 0.00 O ATOM 920 CB ARG B 181 5.946 14.043 0.506 1.00 0.00 C ATOM 921 CG ARG B 181 5.199 14.627 1.712 1.00 0.00 C ATOM 922 CD ARG B 181 6.010 15.783 2.297 1.00 0.00 C ATOM 923 NE ARG B 181 5.685 15.783 3.750 1.00 0.00 N ATOM 924 CZ ARG B 181 6.606 15.478 4.624 1.00 0.00 C ATOM 925 NH1 ARG B 181 7.371 16.410 5.119 1.00 0.00 N ATOM 926 NH2 ARG B 181 6.760 14.238 5.002 1.00 0.00 N ATOM 0 H ARG B 181 3.738 14.564 -0.346 1.00 0.00 H new ATOM 0 HA ARG B 181 5.688 12.446 -0.952 1.00 0.00 H new ATOM 0 HB2 ARG B 181 6.905 13.638 0.828 1.00 0.00 H new ATOM 0 HB3 ARG B 181 6.159 14.834 -0.213 1.00 0.00 H new ATOM 0 HG2 ARG B 181 4.212 14.977 1.409 1.00 0.00 H new ATOM 0 HG3 ARG B 181 5.046 13.856 2.467 1.00 0.00 H new ATOM 0 HD2 ARG B 181 7.078 15.640 2.131 1.00 0.00 H new ATOM 0 HD3 ARG B 181 5.739 16.731 1.832 1.00 0.00 H new ATOM 0 HE ARG B 181 4.744 16.021 4.062 1.00 0.00 H new ATOM 0 HH11 ARG B 181 7.251 17.379 4.824 1.00 0.00 H new ATOM 0 HH12 ARG B 181 8.090 16.170 5.802 1.00 0.00 H new ATOM 0 HH21 ARG B 181 6.161 13.509 4.615 1.00 0.00 H new ATOM 0 HH22 ARG B 181 7.479 13.998 5.685 1.00 0.00 H new ATOM 940 N GLU B 182 3.565 11.975 1.449 1.00 0.00 N ATOM 941 CA GLU B 182 3.119 10.942 2.430 1.00 0.00 C ATOM 942 C GLU B 182 2.522 9.745 1.689 1.00 0.00 C ATOM 943 O GLU B 182 2.704 8.608 2.083 1.00 0.00 O ATOM 944 CB GLU B 182 2.057 11.633 3.287 1.00 0.00 C ATOM 945 CG GLU B 182 1.956 10.929 4.641 1.00 0.00 C ATOM 946 CD GLU B 182 2.887 11.612 5.643 1.00 0.00 C ATOM 947 OE1 GLU B 182 2.643 12.765 5.959 1.00 0.00 O ATOM 948 OE2 GLU B 182 3.829 10.972 6.079 1.00 0.00 O ATOM 0 H GLU B 182 2.916 12.750 1.311 1.00 0.00 H new ATOM 0 HA GLU B 182 3.941 10.564 3.038 1.00 0.00 H new ATOM 0 HB2 GLU B 182 2.316 12.682 3.429 1.00 0.00 H new ATOM 0 HB3 GLU B 182 1.093 11.608 2.780 1.00 0.00 H new ATOM 0 HG2 GLU B 182 0.928 10.961 5.003 1.00 0.00 H new ATOM 0 HG3 GLU B 182 2.225 9.878 4.537 1.00 0.00 H new ATOM 955 N ILE B 183 1.819 9.994 0.614 1.00 0.00 N ATOM 956 CA ILE B 183 1.216 8.871 -0.165 1.00 0.00 C ATOM 957 C ILE B 183 2.303 8.181 -0.995 1.00 0.00 C ATOM 958 O ILE B 183 2.211 7.006 -1.300 1.00 0.00 O ATOM 959 CB ILE B 183 0.163 9.524 -1.068 1.00 0.00 C ATOM 960 CG1 ILE B 183 -0.900 10.199 -0.196 1.00 0.00 C ATOM 961 CG2 ILE B 183 -0.507 8.458 -1.939 1.00 0.00 C ATOM 962 CD1 ILE B 183 -1.724 11.166 -1.049 1.00 0.00 C ATOM 0 H ILE B 183 1.637 10.926 0.242 1.00 0.00 H new ATOM 0 HA ILE B 183 0.769 8.109 0.474 1.00 0.00 H new ATOM 0 HB ILE B 183 0.646 10.263 -1.707 1.00 0.00 H new ATOM 0 HG12 ILE B 183 -1.550 9.447 0.250 1.00 0.00 H new ATOM 0 HG13 ILE B 183 -0.424 10.736 0.625 1.00 0.00 H new ATOM 0 HG21 ILE B 183 -1.254 8.928 -2.579 1.00 0.00 H new ATOM 0 HG22 ILE B 183 0.245 7.969 -2.558 1.00 0.00 H new ATOM 0 HG23 ILE B 183 -0.989 7.717 -1.301 1.00 0.00 H new ATOM 0 HD11 ILE B 183 -2.480 11.646 -0.427 1.00 0.00 H new ATOM 0 HD12 ILE B 183 -1.068 11.926 -1.474 1.00 0.00 H new ATOM 0 HD13 ILE B 183 -2.212 10.616 -1.854 1.00 0.00 H new ATOM 974 N THR B 184 3.337 8.903 -1.354 1.00 0.00 N ATOM 975 CA THR B 184 4.441 8.292 -2.153 1.00 0.00 C ATOM 976 C THR B 184 5.321 7.433 -1.243 1.00 0.00 C ATOM 977 O THR B 184 5.886 6.443 -1.669 1.00 0.00 O ATOM 978 CB THR B 184 5.235 9.474 -2.713 1.00 0.00 C ATOM 979 OG1 THR B 184 4.366 10.313 -3.463 1.00 0.00 O ATOM 980 CG2 THR B 184 6.354 8.955 -3.619 1.00 0.00 C ATOM 0 H THR B 184 3.463 9.890 -1.127 1.00 0.00 H new ATOM 0 HA THR B 184 4.071 7.646 -2.949 1.00 0.00 H new ATOM 0 HB THR B 184 5.670 10.043 -1.891 1.00 0.00 H new ATOM 0 HG1 THR B 184 4.256 11.169 -2.998 1.00 0.00 H new ATOM 0 HG21 THR B 184 6.919 9.797 -4.018 1.00 0.00 H new ATOM 0 HG22 THR B 184 7.019 8.311 -3.043 1.00 0.00 H new ATOM 0 HG23 THR B 184 5.921 8.386 -4.442 1.00 0.00 H new ATOM 988 N MET B 185 5.435 7.804 0.009 1.00 0.00 N ATOM 989 CA MET B 185 6.272 7.005 0.954 1.00 0.00 C ATOM 990 C MET B 185 5.524 5.734 1.355 1.00 0.00 C ATOM 991 O MET B 185 6.106 4.670 1.464 1.00 0.00 O ATOM 992 CB MET B 185 6.485 7.912 2.169 1.00 0.00 C ATOM 993 CG MET B 185 7.835 8.621 2.047 1.00 0.00 C ATOM 994 SD MET B 185 8.477 8.986 3.700 1.00 0.00 S ATOM 995 CE MET B 185 8.883 7.285 4.165 1.00 0.00 C ATOM 0 H MET B 185 4.985 8.624 0.416 1.00 0.00 H new ATOM 0 HA MET B 185 7.220 6.697 0.513 1.00 0.00 H new ATOM 0 HB2 MET B 185 5.682 8.646 2.234 1.00 0.00 H new ATOM 0 HB3 MET B 185 6.453 7.323 3.086 1.00 0.00 H new ATOM 0 HG2 MET B 185 8.540 7.993 1.502 1.00 0.00 H new ATOM 0 HG3 MET B 185 7.723 9.543 1.477 1.00 0.00 H new ATOM 0 HE1 MET B 185 9.935 7.225 4.444 1.00 0.00 H new ATOM 0 HE2 MET B 185 8.266 6.982 5.011 1.00 0.00 H new ATOM 0 HE3 MET B 185 8.693 6.622 3.321 1.00 0.00 H new ATOM 1005 N VAL B 186 4.235 5.836 1.562 1.00 0.00 N ATOM 1006 CA VAL B 186 3.438 4.632 1.943 1.00 0.00 C ATOM 1007 C VAL B 186 3.280 3.718 0.726 1.00 0.00 C ATOM 1008 O VAL B 186 3.183 2.512 0.851 1.00 0.00 O ATOM 1009 CB VAL B 186 2.078 5.171 2.399 1.00 0.00 C ATOM 1010 CG1 VAL B 186 1.178 4.007 2.823 1.00 0.00 C ATOM 1011 CG2 VAL B 186 2.274 6.114 3.590 1.00 0.00 C ATOM 0 H VAL B 186 3.701 6.701 1.483 1.00 0.00 H new ATOM 0 HA VAL B 186 3.915 4.047 2.729 1.00 0.00 H new ATOM 0 HB VAL B 186 1.612 5.711 1.575 1.00 0.00 H new ATOM 0 HG11 VAL B 186 0.212 4.394 3.147 1.00 0.00 H new ATOM 0 HG12 VAL B 186 1.035 3.332 1.979 1.00 0.00 H new ATOM 0 HG13 VAL B 186 1.646 3.466 3.645 1.00 0.00 H new ATOM 0 HG21 VAL B 186 1.306 6.497 3.914 1.00 0.00 H new ATOM 0 HG22 VAL B 186 2.742 5.571 4.411 1.00 0.00 H new ATOM 0 HG23 VAL B 186 2.913 6.946 3.294 1.00 0.00 H new ATOM 1021 N GLU B 187 3.264 4.288 -0.453 1.00 0.00 N ATOM 1022 CA GLU B 187 3.122 3.461 -1.689 1.00 0.00 C ATOM 1023 C GLU B 187 4.421 2.698 -1.960 1.00 0.00 C ATOM 1024 O GLU B 187 4.412 1.633 -2.548 1.00 0.00 O ATOM 1025 CB GLU B 187 2.842 4.461 -2.814 1.00 0.00 C ATOM 1026 CG GLU B 187 2.446 3.705 -4.083 1.00 0.00 C ATOM 1027 CD GLU B 187 1.530 4.584 -4.937 1.00 0.00 C ATOM 1028 OE1 GLU B 187 0.358 4.680 -4.608 1.00 0.00 O ATOM 1029 OE2 GLU B 187 2.015 5.146 -5.905 1.00 0.00 O ATOM 0 H GLU B 187 3.343 5.292 -0.612 1.00 0.00 H new ATOM 0 HA GLU B 187 2.327 2.721 -1.601 1.00 0.00 H new ATOM 0 HB2 GLU B 187 2.043 5.141 -2.519 1.00 0.00 H new ATOM 0 HB3 GLU B 187 3.726 5.070 -3.002 1.00 0.00 H new ATOM 0 HG2 GLU B 187 3.337 3.432 -4.649 1.00 0.00 H new ATOM 0 HG3 GLU B 187 1.937 2.777 -3.822 1.00 0.00 H new ATOM 1036 N GLN B 188 5.536 3.237 -1.531 1.00 0.00 N ATOM 1037 CA GLN B 188 6.841 2.544 -1.759 1.00 0.00 C ATOM 1038 C GLN B 188 6.944 1.314 -0.857 1.00 0.00 C ATOM 1039 O GLN B 188 7.509 0.304 -1.232 1.00 0.00 O ATOM 1040 CB GLN B 188 7.914 3.573 -1.390 1.00 0.00 C ATOM 1041 CG GLN B 188 9.179 3.310 -2.212 1.00 0.00 C ATOM 1042 CD GLN B 188 9.178 4.202 -3.455 1.00 0.00 C ATOM 1043 OE1 GLN B 188 10.199 4.744 -3.829 1.00 0.00 O ATOM 1044 NE2 GLN B 188 8.066 4.379 -4.116 1.00 0.00 N ATOM 0 H GLN B 188 5.598 4.125 -1.034 1.00 0.00 H new ATOM 0 HA GLN B 188 6.951 2.198 -2.787 1.00 0.00 H new ATOM 0 HB2 GLN B 188 7.547 4.581 -1.581 1.00 0.00 H new ATOM 0 HB3 GLN B 188 8.140 3.512 -0.325 1.00 0.00 H new ATOM 0 HG2 GLN B 188 10.065 3.510 -1.609 1.00 0.00 H new ATOM 0 HG3 GLN B 188 9.223 2.261 -2.505 1.00 0.00 H new ATOM 0 HE21 GLN B 188 7.208 3.924 -3.803 1.00 0.00 H new ATOM 0 HE22 GLN B 188 8.055 4.972 -4.946 1.00 0.00 H new ATOM 1053 N GLN B 189 6.395 1.393 0.327 1.00 0.00 N ATOM 1054 CA GLN B 189 6.449 0.228 1.261 1.00 0.00 C ATOM 1055 C GLN B 189 5.488 -0.860 0.783 1.00 0.00 C ATOM 1056 O GLN B 189 5.800 -2.036 0.819 1.00 0.00 O ATOM 1057 CB GLN B 189 6.010 0.781 2.622 1.00 0.00 C ATOM 1058 CG GLN B 189 6.934 0.243 3.722 1.00 0.00 C ATOM 1059 CD GLN B 189 7.977 1.304 4.088 1.00 0.00 C ATOM 1060 OE1 GLN B 189 8.330 1.452 5.241 1.00 0.00 O ATOM 1061 NE2 GLN B 189 8.490 2.052 3.149 1.00 0.00 N ATOM 0 H GLN B 189 5.911 2.215 0.688 1.00 0.00 H new ATOM 0 HA GLN B 189 7.442 -0.219 1.313 1.00 0.00 H new ATOM 0 HB2 GLN B 189 6.040 1.871 2.609 1.00 0.00 H new ATOM 0 HB3 GLN B 189 4.979 0.493 2.827 1.00 0.00 H new ATOM 0 HG2 GLN B 189 6.349 -0.024 4.602 1.00 0.00 H new ATOM 0 HG3 GLN B 189 7.430 -0.666 3.381 1.00 0.00 H new ATOM 0 HE21 GLN B 189 8.195 1.929 2.180 1.00 0.00 H new ATOM 0 HE22 GLN B 189 9.186 2.759 3.384 1.00 0.00 H new ATOM 1070 N ILE B 190 4.325 -0.472 0.327 1.00 0.00 N ATOM 1071 CA ILE B 190 3.337 -1.478 -0.168 1.00 0.00 C ATOM 1072 C ILE B 190 3.827 -2.065 -1.493 1.00 0.00 C ATOM 1073 O ILE B 190 3.563 -3.210 -1.808 1.00 0.00 O ATOM 1074 CB ILE B 190 2.029 -0.703 -0.363 1.00 0.00 C ATOM 1075 CG1 ILE B 190 1.592 -0.102 0.976 1.00 0.00 C ATOM 1076 CG2 ILE B 190 0.939 -1.651 -0.871 1.00 0.00 C ATOM 1077 CD1 ILE B 190 0.371 0.795 0.763 1.00 0.00 C ATOM 0 H ILE B 190 4.016 0.499 0.276 1.00 0.00 H new ATOM 0 HA ILE B 190 3.203 -2.309 0.524 1.00 0.00 H new ATOM 0 HB ILE B 190 2.185 0.093 -1.091 1.00 0.00 H new ATOM 0 HG12 ILE B 190 1.353 -0.897 1.682 1.00 0.00 H new ATOM 0 HG13 ILE B 190 2.408 0.475 1.411 1.00 0.00 H new ATOM 0 HG21 ILE B 190 0.010 -1.097 -1.009 1.00 0.00 H new ATOM 0 HG22 ILE B 190 1.248 -2.084 -1.823 1.00 0.00 H new ATOM 0 HG23 ILE B 190 0.782 -2.448 -0.144 1.00 0.00 H new ATOM 0 HD11 ILE B 190 0.062 1.221 1.717 1.00 0.00 H new ATOM 0 HD12 ILE B 190 0.626 1.599 0.072 1.00 0.00 H new ATOM 0 HD13 ILE B 190 -0.446 0.205 0.348 1.00 0.00 H new ATOM 1089 N SER B 191 4.549 -1.290 -2.261 1.00 0.00 N ATOM 1090 CA SER B 191 5.073 -1.800 -3.563 1.00 0.00 C ATOM 1091 C SER B 191 6.148 -2.854 -3.300 1.00 0.00 C ATOM 1092 O SER B 191 6.262 -3.830 -4.019 1.00 0.00 O ATOM 1093 CB SER B 191 5.672 -0.583 -4.268 1.00 0.00 C ATOM 1094 OG SER B 191 4.623 0.287 -4.674 1.00 0.00 O ATOM 0 H SER B 191 4.798 -0.325 -2.042 1.00 0.00 H new ATOM 0 HA SER B 191 4.297 -2.267 -4.170 1.00 0.00 H new ATOM 0 HB2 SER B 191 6.355 -0.060 -3.599 1.00 0.00 H new ATOM 0 HB3 SER B 191 6.254 -0.899 -5.134 1.00 0.00 H new ATOM 0 HG SER B 191 4.242 0.729 -3.887 1.00 0.00 H new ATOM 1100 N LYS B 192 6.925 -2.670 -2.263 1.00 0.00 N ATOM 1101 CA LYS B 192 7.987 -3.666 -1.935 1.00 0.00 C ATOM 1102 C LYS B 192 7.344 -4.890 -1.284 1.00 0.00 C ATOM 1103 O LYS B 192 7.754 -6.014 -1.510 1.00 0.00 O ATOM 1104 CB LYS B 192 8.920 -2.954 -0.951 1.00 0.00 C ATOM 1105 CG LYS B 192 9.537 -1.726 -1.626 1.00 0.00 C ATOM 1106 CD LYS B 192 10.860 -2.118 -2.287 1.00 0.00 C ATOM 1107 CE LYS B 192 12.013 -1.852 -1.319 1.00 0.00 C ATOM 1108 NZ LYS B 192 13.230 -2.337 -2.029 1.00 0.00 N ATOM 0 H LYS B 192 6.869 -1.872 -1.630 1.00 0.00 H new ATOM 0 HA LYS B 192 8.530 -4.010 -2.816 1.00 0.00 H new ATOM 0 HB2 LYS B 192 8.366 -2.653 -0.062 1.00 0.00 H new ATOM 0 HB3 LYS B 192 9.706 -3.634 -0.622 1.00 0.00 H new ATOM 0 HG2 LYS B 192 8.851 -1.324 -2.371 1.00 0.00 H new ATOM 0 HG3 LYS B 192 9.705 -0.939 -0.890 1.00 0.00 H new ATOM 0 HD2 LYS B 192 10.841 -3.172 -2.566 1.00 0.00 H new ATOM 0 HD3 LYS B 192 11.003 -1.548 -3.205 1.00 0.00 H new ATOM 0 HE2 LYS B 192 12.091 -0.791 -1.080 1.00 0.00 H new ATOM 0 HE3 LYS B 192 11.868 -2.381 -0.377 1.00 0.00 H new ATOM 0 HZ1 LYS B 192 14.065 -2.188 -1.427 1.00 0.00 H new ATOM 0 HZ2 LYS B 192 13.129 -3.351 -2.237 1.00 0.00 H new ATOM 0 HZ3 LYS B 192 13.346 -1.811 -2.918 1.00 0.00 H new ATOM 1122 N LEU B 193 6.328 -4.676 -0.486 1.00 0.00 N ATOM 1123 CA LEU B 193 5.635 -5.821 0.176 1.00 0.00 C ATOM 1124 C LEU B 193 4.824 -6.599 -0.864 1.00 0.00 C ATOM 1125 O LEU B 193 4.634 -7.795 -0.747 1.00 0.00 O ATOM 1126 CB LEU B 193 4.710 -5.182 1.219 1.00 0.00 C ATOM 1127 CG LEU B 193 4.830 -5.935 2.548 1.00 0.00 C ATOM 1128 CD1 LEU B 193 4.760 -4.939 3.708 1.00 0.00 C ATOM 1129 CD2 LEU B 193 3.683 -6.943 2.673 1.00 0.00 C ATOM 0 H LEU B 193 5.949 -3.755 -0.265 1.00 0.00 H new ATOM 0 HA LEU B 193 6.330 -6.523 0.636 1.00 0.00 H new ATOM 0 HB2 LEU B 193 4.974 -4.134 1.359 1.00 0.00 H new ATOM 0 HB3 LEU B 193 3.678 -5.207 0.868 1.00 0.00 H new ATOM 0 HG LEU B 193 5.783 -6.464 2.578 1.00 0.00 H new ATOM 0 HD11 LEU B 193 4.845 -5.475 4.653 1.00 0.00 H new ATOM 0 HD12 LEU B 193 5.577 -4.222 3.622 1.00 0.00 H new ATOM 0 HD13 LEU B 193 3.808 -4.409 3.676 1.00 0.00 H new ATOM 0 HD21 LEU B 193 3.770 -7.478 3.619 1.00 0.00 H new ATOM 0 HD22 LEU B 193 2.730 -6.415 2.641 1.00 0.00 H new ATOM 0 HD23 LEU B 193 3.732 -7.654 1.848 1.00 0.00 H new ATOM 1141 N LYS B 194 4.352 -5.925 -1.884 1.00 0.00 N ATOM 1142 CA LYS B 194 3.559 -6.618 -2.943 1.00 0.00 C ATOM 1143 C LYS B 194 4.470 -7.546 -3.747 1.00 0.00 C ATOM 1144 O LYS B 194 4.080 -8.634 -4.129 1.00 0.00 O ATOM 1145 CB LYS B 194 3.004 -5.503 -3.832 1.00 0.00 C ATOM 1146 CG LYS B 194 1.934 -6.076 -4.763 1.00 0.00 C ATOM 1147 CD LYS B 194 0.609 -6.197 -4.006 1.00 0.00 C ATOM 1148 CE LYS B 194 0.000 -4.806 -3.817 1.00 0.00 C ATOM 1149 NZ LYS B 194 -1.464 -4.998 -4.018 1.00 0.00 N ATOM 0 H LYS B 194 4.483 -4.924 -2.028 1.00 0.00 H new ATOM 0 HA LYS B 194 2.759 -7.231 -2.527 1.00 0.00 H new ATOM 0 HB2 LYS B 194 2.579 -4.711 -3.216 1.00 0.00 H new ATOM 0 HB3 LYS B 194 3.808 -5.056 -4.417 1.00 0.00 H new ATOM 0 HG2 LYS B 194 1.810 -5.431 -5.633 1.00 0.00 H new ATOM 0 HG3 LYS B 194 2.244 -7.053 -5.133 1.00 0.00 H new ATOM 0 HD2 LYS B 194 -0.081 -6.835 -4.558 1.00 0.00 H new ATOM 0 HD3 LYS B 194 0.773 -6.668 -3.037 1.00 0.00 H new ATOM 0 HE2 LYS B 194 0.214 -4.413 -2.823 1.00 0.00 H new ATOM 0 HE3 LYS B 194 0.408 -4.095 -4.536 1.00 0.00 H new ATOM 0 HZ1 LYS B 194 -1.952 -4.087 -3.904 1.00 0.00 H new ATOM 0 HZ2 LYS B 194 -1.638 -5.367 -4.975 1.00 0.00 H new ATOM 0 HZ3 LYS B 194 -1.825 -5.674 -3.315 1.00 0.00 H new ATOM 1163 N LYS B 195 5.685 -7.127 -3.997 1.00 0.00 N ATOM 1164 CA LYS B 195 6.634 -7.987 -4.768 1.00 0.00 C ATOM 1165 C LYS B 195 6.995 -9.220 -3.937 1.00 0.00 C ATOM 1166 O LYS B 195 7.245 -10.287 -4.465 1.00 0.00 O ATOM 1167 CB LYS B 195 7.870 -7.111 -5.011 1.00 0.00 C ATOM 1168 CG LYS B 195 8.298 -7.216 -6.477 1.00 0.00 C ATOM 1169 CD LYS B 195 8.918 -8.591 -6.732 1.00 0.00 C ATOM 1170 CE LYS B 195 8.698 -8.988 -8.193 1.00 0.00 C ATOM 1171 NZ LYS B 195 9.713 -8.211 -8.959 1.00 0.00 N ATOM 0 H LYS B 195 6.061 -6.226 -3.700 1.00 0.00 H new ATOM 0 HA LYS B 195 6.210 -8.342 -5.707 1.00 0.00 H new ATOM 0 HB2 LYS B 195 7.647 -6.074 -4.761 1.00 0.00 H new ATOM 0 HB3 LYS B 195 8.685 -7.428 -4.361 1.00 0.00 H new ATOM 0 HG2 LYS B 195 7.438 -7.067 -7.129 1.00 0.00 H new ATOM 0 HG3 LYS B 195 9.017 -6.432 -6.714 1.00 0.00 H new ATOM 0 HD2 LYS B 195 9.984 -8.568 -6.507 1.00 0.00 H new ATOM 0 HD3 LYS B 195 8.469 -9.332 -6.071 1.00 0.00 H new ATOM 0 HE2 LYS B 195 8.832 -10.060 -8.335 1.00 0.00 H new ATOM 0 HE3 LYS B 195 7.687 -8.747 -8.520 1.00 0.00 H new ATOM 0 HZ1 LYS B 195 9.248 -7.710 -9.743 1.00 0.00 H new ATOM 0 HZ2 LYS B 195 10.169 -7.520 -8.329 1.00 0.00 H new ATOM 0 HZ3 LYS B 195 10.431 -8.859 -9.340 1.00 0.00 H new ATOM 1185 N LYS B 196 7.014 -9.076 -2.636 1.00 0.00 N ATOM 1186 CA LYS B 196 7.347 -10.236 -1.752 1.00 0.00 C ATOM 1187 C LYS B 196 6.280 -11.320 -1.899 1.00 0.00 C ATOM 1188 O LYS B 196 6.573 -12.501 -1.868 1.00 0.00 O ATOM 1189 CB LYS B 196 7.352 -9.668 -0.329 1.00 0.00 C ATOM 1190 CG LYS B 196 7.707 -10.771 0.670 1.00 0.00 C ATOM 1191 CD LYS B 196 7.223 -10.370 2.067 1.00 0.00 C ATOM 1192 CE LYS B 196 5.693 -10.299 2.081 1.00 0.00 C ATOM 1193 NZ LYS B 196 5.320 -10.342 3.523 1.00 0.00 N ATOM 0 H LYS B 196 6.813 -8.204 -2.146 1.00 0.00 H new ATOM 0 HA LYS B 196 8.305 -10.692 -2.004 1.00 0.00 H new ATOM 0 HB2 LYS B 196 8.072 -8.853 -0.256 1.00 0.00 H new ATOM 0 HB3 LYS B 196 6.374 -9.251 -0.091 1.00 0.00 H new ATOM 0 HG2 LYS B 196 7.245 -11.711 0.369 1.00 0.00 H new ATOM 0 HG3 LYS B 196 8.785 -10.934 0.680 1.00 0.00 H new ATOM 0 HD2 LYS B 196 7.570 -11.094 2.805 1.00 0.00 H new ATOM 0 HD3 LYS B 196 7.644 -9.404 2.345 1.00 0.00 H new ATOM 0 HE2 LYS B 196 5.336 -9.384 1.608 1.00 0.00 H new ATOM 0 HE3 LYS B 196 5.254 -11.133 1.534 1.00 0.00 H new ATOM 0 HZ1 LYS B 196 4.371 -9.935 3.648 1.00 0.00 H new ATOM 0 HZ2 LYS B 196 5.320 -11.329 3.852 1.00 0.00 H new ATOM 0 HZ3 LYS B 196 6.008 -9.793 4.076 1.00 0.00 H new ATOM 1207 N GLN B 197 5.044 -10.923 -2.062 1.00 0.00 N ATOM 1208 CA GLN B 197 3.946 -11.925 -2.218 1.00 0.00 C ATOM 1209 C GLN B 197 4.159 -12.734 -3.497 1.00 0.00 C ATOM 1210 O GLN B 197 3.790 -13.891 -3.581 1.00 0.00 O ATOM 1211 CB GLN B 197 2.658 -11.104 -2.310 1.00 0.00 C ATOM 1212 CG GLN B 197 1.452 -12.046 -2.323 1.00 0.00 C ATOM 1213 CD GLN B 197 1.342 -12.753 -0.971 1.00 0.00 C ATOM 1214 OE1 GLN B 197 0.686 -12.268 -0.071 1.00 0.00 O ATOM 1215 NE2 GLN B 197 1.961 -13.887 -0.789 1.00 0.00 N ATOM 0 H GLN B 197 4.747 -9.948 -2.094 1.00 0.00 H new ATOM 0 HA GLN B 197 3.912 -12.633 -1.390 1.00 0.00 H new ATOM 0 HB2 GLN B 197 2.589 -10.420 -1.464 1.00 0.00 H new ATOM 0 HB3 GLN B 197 2.666 -10.494 -3.214 1.00 0.00 H new ATOM 0 HG2 GLN B 197 0.540 -11.484 -2.527 1.00 0.00 H new ATOM 0 HG3 GLN B 197 1.559 -12.780 -3.122 1.00 0.00 H new ATOM 0 HE21 GLN B 197 2.512 -14.294 -1.545 1.00 0.00 H new ATOM 0 HE22 GLN B 197 1.894 -14.366 0.109 1.00 0.00 H new ATOM 1224 N GLN B 198 4.757 -12.131 -4.493 1.00 0.00 N ATOM 1225 CA GLN B 198 5.006 -12.858 -5.775 1.00 0.00 C ATOM 1226 C GLN B 198 5.934 -14.047 -5.527 1.00 0.00 C ATOM 1227 O GLN B 198 5.765 -15.110 -6.096 1.00 0.00 O ATOM 1228 CB GLN B 198 5.678 -11.839 -6.698 1.00 0.00 C ATOM 1229 CG GLN B 198 5.349 -12.171 -8.156 1.00 0.00 C ATOM 1230 CD GLN B 198 5.177 -10.875 -8.949 1.00 0.00 C ATOM 1231 OE1 GLN B 198 5.770 -10.707 -9.997 1.00 0.00 O ATOM 1232 NE2 GLN B 198 4.384 -9.946 -8.492 1.00 0.00 N ATOM 0 H GLN B 198 5.084 -11.165 -4.474 1.00 0.00 H new ATOM 0 HA GLN B 198 4.087 -13.249 -6.211 1.00 0.00 H new ATOM 0 HB2 GLN B 198 5.334 -10.833 -6.457 1.00 0.00 H new ATOM 0 HB3 GLN B 198 6.757 -11.852 -6.546 1.00 0.00 H new ATOM 0 HG2 GLN B 198 6.146 -12.773 -8.592 1.00 0.00 H new ATOM 0 HG3 GLN B 198 4.437 -12.765 -8.208 1.00 0.00 H new ATOM 0 HE21 GLN B 198 3.887 -10.087 -7.613 1.00 0.00 H new ATOM 0 HE22 GLN B 198 4.261 -9.078 -9.014 1.00 0.00 H new ATOM 1241 N GLN B 199 6.910 -13.871 -4.675 1.00 0.00 N ATOM 1242 CA GLN B 199 7.857 -14.988 -4.374 1.00 0.00 C ATOM 1243 C GLN B 199 7.098 -16.160 -3.749 1.00 0.00 C ATOM 1244 O GLN B 199 7.334 -17.309 -4.075 1.00 0.00 O ATOM 1245 CB GLN B 199 8.865 -14.409 -3.378 1.00 0.00 C ATOM 1246 CG GLN B 199 10.001 -13.725 -4.139 1.00 0.00 C ATOM 1247 CD GLN B 199 10.872 -12.937 -3.159 1.00 0.00 C ATOM 1248 OE1 GLN B 199 11.725 -13.496 -2.500 1.00 0.00 O ATOM 1249 NE2 GLN B 199 10.691 -11.650 -3.036 1.00 0.00 N ATOM 0 H GLN B 199 7.093 -13.002 -4.174 1.00 0.00 H new ATOM 0 HA GLN B 199 8.350 -15.364 -5.271 1.00 0.00 H new ATOM 0 HB2 GLN B 199 8.372 -13.694 -2.720 1.00 0.00 H new ATOM 0 HB3 GLN B 199 9.263 -15.202 -2.745 1.00 0.00 H new ATOM 0 HG2 GLN B 199 10.604 -14.469 -4.660 1.00 0.00 H new ATOM 0 HG3 GLN B 199 9.594 -13.057 -4.898 1.00 0.00 H new ATOM 0 HE21 GLN B 199 9.974 -11.181 -3.590 1.00 0.00 H new ATOM 0 HE22 GLN B 199 11.266 -11.114 -2.386 1.00 0.00 H new ATOM 1258 N LEU B 200 6.180 -15.874 -2.860 1.00 0.00 N ATOM 1259 CA LEU B 200 5.391 -16.966 -2.215 1.00 0.00 C ATOM 1260 C LEU B 200 4.387 -17.537 -3.217 1.00 0.00 C ATOM 1261 O LEU B 200 4.073 -18.713 -3.192 1.00 0.00 O ATOM 1262 CB LEU B 200 4.664 -16.300 -1.043 1.00 0.00 C ATOM 1263 CG LEU B 200 4.558 -17.289 0.120 1.00 0.00 C ATOM 1264 CD1 LEU B 200 5.940 -17.500 0.739 1.00 0.00 C ATOM 1265 CD2 LEU B 200 3.606 -16.727 1.178 1.00 0.00 C ATOM 0 H LEU B 200 5.943 -14.930 -2.553 1.00 0.00 H new ATOM 0 HA LEU B 200 6.019 -17.791 -1.880 1.00 0.00 H new ATOM 0 HB2 LEU B 200 5.203 -15.407 -0.727 1.00 0.00 H new ATOM 0 HB3 LEU B 200 3.670 -15.979 -1.353 1.00 0.00 H new ATOM 0 HG LEU B 200 4.176 -18.242 -0.246 1.00 0.00 H new ATOM 0 HD11 LEU B 200 5.864 -18.204 1.567 1.00 0.00 H new ATOM 0 HD12 LEU B 200 6.619 -17.898 -0.015 1.00 0.00 H new ATOM 0 HD13 LEU B 200 6.323 -16.548 1.106 1.00 0.00 H new ATOM 0 HD21 LEU B 200 3.529 -17.430 2.008 1.00 0.00 H new ATOM 0 HD22 LEU B 200 3.990 -15.775 1.544 1.00 0.00 H new ATOM 0 HD23 LEU B 200 2.621 -16.576 0.737 1.00 0.00 H new ATOM 1277 N GLU B 201 3.891 -16.712 -4.103 1.00 0.00 N ATOM 1278 CA GLU B 201 2.913 -17.197 -5.121 1.00 0.00 C ATOM 1279 C GLU B 201 3.649 -17.947 -6.230 1.00 0.00 C ATOM 1280 O GLU B 201 3.117 -18.862 -6.832 1.00 0.00 O ATOM 1281 CB GLU B 201 2.248 -15.934 -5.674 1.00 0.00 C ATOM 1282 CG GLU B 201 1.173 -15.453 -4.697 1.00 0.00 C ATOM 1283 CD GLU B 201 0.252 -14.454 -5.403 1.00 0.00 C ATOM 1284 OE1 GLU B 201 -0.600 -14.894 -6.157 1.00 0.00 O ATOM 1285 OE2 GLU B 201 0.415 -13.267 -5.175 1.00 0.00 O ATOM 0 H GLU B 201 4.122 -15.721 -4.165 1.00 0.00 H new ATOM 0 HA GLU B 201 2.180 -17.884 -4.698 1.00 0.00 H new ATOM 0 HB2 GLU B 201 2.994 -15.153 -5.824 1.00 0.00 H new ATOM 0 HB3 GLU B 201 1.803 -16.141 -6.647 1.00 0.00 H new ATOM 0 HG2 GLU B 201 0.594 -16.301 -4.330 1.00 0.00 H new ATOM 0 HG3 GLU B 201 1.638 -14.985 -3.829 1.00 0.00 H new