USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 578 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.0505 K(o=-0.05,f=-1.7!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 61:sc= 0.0463 USER MOD Single : A 31 ASN :FLIP amide:sc= -11.8! C(o=-13!,f=-12!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= -2.64! X(o=-2.6!,f=-2.3) USER MOD Single : A 56 SER OG : rot -139:sc= 1.09 USER MOD Single : A 57 HIS :FLIP no HD1:sc= -0.982 F(o=-1.5,f=-0.98) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc=-0.00406 USER MOD Single : A 63 HIS : no HD1:sc= -3.54! C(o=-3.5!,f=-3.4!) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 34:sc= 0.0018 USER MOD Single : A 89 LYS NZ :NH3+ 170:sc= -0.0471 (180deg=-0.251) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.0197 X(o=-0.02,f=-0.18) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 124 N TYR A 11 11.841 4.565 -4.374 1.00 0.00 N ATOM 125 CA TYR A 11 11.382 4.590 -2.996 1.00 0.00 C ATOM 126 C TYR A 11 10.567 5.853 -2.712 1.00 0.00 C ATOM 127 O TYR A 11 10.538 6.774 -3.527 1.00 0.00 O ATOM 128 CB TYR A 11 12.644 4.607 -2.132 1.00 0.00 C ATOM 129 CG TYR A 11 13.509 3.352 -2.268 1.00 0.00 C ATOM 130 CD1 TYR A 11 12.979 2.113 -1.972 1.00 0.00 C ATOM 131 CD2 TYR A 11 14.819 3.460 -2.689 1.00 0.00 C ATOM 132 CE1 TYR A 11 13.793 0.932 -2.101 1.00 0.00 C ATOM 133 CE2 TYR A 11 15.633 2.279 -2.818 1.00 0.00 C ATOM 134 CZ TYR A 11 15.080 1.074 -2.517 1.00 0.00 C ATOM 135 OH TYR A 11 15.849 -0.042 -2.639 1.00 0.00 O ATOM 0 HA TYR A 11 10.744 3.731 -2.788 1.00 0.00 H new ATOM 0 HB2 TYR A 11 13.242 5.479 -2.398 1.00 0.00 H new ATOM 0 HB3 TYR A 11 12.355 4.725 -1.088 1.00 0.00 H new ATOM 0 HD1 TYR A 11 11.954 2.029 -1.644 1.00 0.00 H new ATOM 0 HD2 TYR A 11 15.233 4.430 -2.922 1.00 0.00 H new ATOM 0 HE1 TYR A 11 13.391 -0.044 -1.873 1.00 0.00 H new ATOM 0 HE2 TYR A 11 16.659 2.349 -3.146 1.00 0.00 H new ATOM 0 HH TYR A 11 16.745 0.210 -2.946 1.00 0.00 H new ATOM 145 N LYS A 12 9.925 5.856 -1.553 1.00 0.00 N ATOM 146 CA LYS A 12 9.111 6.991 -1.152 1.00 0.00 C ATOM 147 C LYS A 12 8.235 7.427 -2.328 1.00 0.00 C ATOM 148 O LYS A 12 8.326 8.564 -2.786 1.00 0.00 O ATOM 149 CB LYS A 12 9.992 8.111 -0.593 1.00 0.00 C ATOM 150 CG LYS A 12 10.508 7.758 0.803 1.00 0.00 C ATOM 151 CD LYS A 12 10.175 8.863 1.807 1.00 0.00 C ATOM 152 CE LYS A 12 10.982 10.130 1.515 1.00 0.00 C ATOM 153 NZ LYS A 12 11.878 10.447 2.650 1.00 0.00 N ATOM 0 H LYS A 12 9.952 5.091 -0.879 1.00 0.00 H new ATOM 0 HA LYS A 12 8.439 6.710 -0.341 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.834 8.284 -1.263 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.422 9.039 -0.550 1.00 0.00 H new ATOM 0 HG2 LYS A 12 10.065 6.818 1.131 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.587 7.607 0.768 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.109 9.088 1.765 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.388 8.517 2.818 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.570 9.993 0.607 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.306 10.965 1.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 12.418 11.309 2.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.311 10.598 3.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.535 9.656 2.805 1.00 0.00 H new ATOM 167 N GLN A 13 7.406 6.498 -2.782 1.00 0.00 N ATOM 168 CA GLN A 13 6.514 6.772 -3.896 1.00 0.00 C ATOM 169 C GLN A 13 5.159 6.099 -3.669 1.00 0.00 C ATOM 170 O GLN A 13 5.089 4.885 -3.479 1.00 0.00 O ATOM 171 CB GLN A 13 7.135 6.321 -5.220 1.00 0.00 C ATOM 172 CG GLN A 13 6.159 6.524 -6.380 1.00 0.00 C ATOM 173 CD GLN A 13 6.885 6.456 -7.725 1.00 0.00 C ATOM 174 OE1 GLN A 13 8.100 6.530 -7.809 1.00 0.00 O ATOM 175 NE2 GLN A 13 6.076 6.310 -8.771 1.00 0.00 N ATOM 0 H GLN A 13 7.333 5.555 -2.399 1.00 0.00 H new ATOM 0 HA GLN A 13 6.358 7.849 -3.954 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.050 6.883 -5.407 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.415 5.270 -5.155 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.381 5.761 -6.343 1.00 0.00 H new ATOM 0 HG3 GLN A 13 5.663 7.490 -6.278 1.00 0.00 H new ATOM 0 HE21 GLN A 13 5.067 6.255 -8.632 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.465 6.253 -9.712 1.00 0.00 H new ATOM 184 N ILE A 14 4.116 6.916 -3.696 1.00 0.00 N ATOM 185 CA ILE A 14 2.767 6.414 -3.495 1.00 0.00 C ATOM 186 C ILE A 14 2.309 5.676 -4.755 1.00 0.00 C ATOM 187 O ILE A 14 2.462 6.183 -5.865 1.00 0.00 O ATOM 188 CB ILE A 14 1.831 7.548 -3.073 1.00 0.00 C ATOM 189 CG1 ILE A 14 2.464 8.399 -1.969 1.00 0.00 C ATOM 190 CG2 ILE A 14 0.461 7.005 -2.663 1.00 0.00 C ATOM 191 CD1 ILE A 14 1.986 7.948 -0.587 1.00 0.00 C ATOM 0 H ILE A 14 4.178 7.922 -3.854 1.00 0.00 H new ATOM 0 HA ILE A 14 2.747 5.693 -2.677 1.00 0.00 H new ATOM 0 HB ILE A 14 1.675 8.199 -3.933 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.550 8.324 -2.025 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.209 9.448 -2.122 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.185 7.832 -2.368 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.012 6.477 -3.504 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.578 6.319 -1.824 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.451 8.569 0.179 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.902 8.047 -0.527 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.264 6.906 -0.428 1.00 0.00 H new ATOM 203 N VAL A 15 1.757 4.491 -4.540 1.00 0.00 N ATOM 204 CA VAL A 15 1.276 3.678 -5.644 1.00 0.00 C ATOM 205 C VAL A 15 0.103 2.820 -5.167 1.00 0.00 C ATOM 206 O VAL A 15 -0.196 2.779 -3.974 1.00 0.00 O ATOM 207 CB VAL A 15 2.425 2.851 -6.224 1.00 0.00 C ATOM 208 CG1 VAL A 15 3.290 3.696 -7.162 1.00 0.00 C ATOM 209 CG2 VAL A 15 3.270 2.229 -5.110 1.00 0.00 C ATOM 0 H VAL A 15 1.632 4.074 -3.617 1.00 0.00 H new ATOM 0 HA VAL A 15 0.908 4.310 -6.452 1.00 0.00 H new ATOM 0 HB VAL A 15 1.992 2.039 -6.808 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.099 3.084 -7.560 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.679 4.069 -7.984 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.709 4.538 -6.611 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.080 1.646 -5.550 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.688 3.019 -4.486 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.645 1.578 -4.499 1.00 0.00 H new ATOM 219 N TRP A 16 -0.530 2.156 -6.122 1.00 0.00 N ATOM 220 CA TRP A 16 -1.664 1.300 -5.814 1.00 0.00 C ATOM 221 C TRP A 16 -1.175 -0.149 -5.812 1.00 0.00 C ATOM 222 O TRP A 16 -0.628 -0.626 -6.805 1.00 0.00 O ATOM 223 CB TRP A 16 -2.815 1.542 -6.793 1.00 0.00 C ATOM 224 CG TRP A 16 -3.575 2.847 -6.550 1.00 0.00 C ATOM 225 CD1 TRP A 16 -3.411 4.025 -7.168 1.00 0.00 C ATOM 226 CD2 TRP A 16 -4.632 3.061 -5.591 1.00 0.00 C ATOM 227 NE1 TRP A 16 -4.281 4.978 -6.680 1.00 0.00 N ATOM 228 CE2 TRP A 16 -5.048 4.373 -5.691 1.00 0.00 C ATOM 229 CE3 TRP A 16 -5.218 2.175 -4.671 1.00 0.00 C ATOM 230 CZ2 TRP A 16 -6.066 4.917 -4.899 1.00 0.00 C ATOM 231 CZ3 TRP A 16 -6.234 2.733 -3.887 1.00 0.00 C ATOM 232 CH2 TRP A 16 -6.664 4.052 -3.974 1.00 0.00 C ATOM 0 H TRP A 16 -0.280 2.193 -7.110 1.00 0.00 H new ATOM 0 HA TRP A 16 -2.067 1.533 -4.828 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -2.419 1.548 -7.809 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -3.515 0.709 -6.728 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -2.688 4.206 -7.950 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -4.349 5.948 -6.988 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -4.909 1.145 -4.576 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -6.374 5.948 -4.996 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -6.718 2.094 -3.163 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -7.456 4.408 -3.331 1.00 0.00 H new ATOM 243 N VAL A 17 -1.391 -0.811 -4.684 1.00 0.00 N ATOM 244 CA VAL A 17 -0.979 -2.197 -4.539 1.00 0.00 C ATOM 245 C VAL A 17 -2.099 -3.112 -5.040 1.00 0.00 C ATOM 246 O VAL A 17 -3.270 -2.886 -4.741 1.00 0.00 O ATOM 247 CB VAL A 17 -0.584 -2.476 -3.088 1.00 0.00 C ATOM 248 CG1 VAL A 17 -1.474 -3.560 -2.476 1.00 0.00 C ATOM 249 CG2 VAL A 17 0.894 -2.859 -2.986 1.00 0.00 C ATOM 0 H VAL A 17 -1.846 -0.413 -3.862 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.097 -2.399 -5.147 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.733 -1.559 -2.518 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.172 -3.739 -1.444 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.513 -3.233 -2.498 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.371 -4.481 -3.049 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.149 -3.052 -1.944 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.079 -3.756 -3.577 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.509 -2.042 -3.364 1.00 0.00 H new ATOM 259 N LYS A 18 -1.698 -4.125 -5.794 1.00 0.00 N ATOM 260 CA LYS A 18 -2.653 -5.075 -6.339 1.00 0.00 C ATOM 261 C LYS A 18 -2.705 -6.312 -5.441 1.00 0.00 C ATOM 262 O LYS A 18 -1.683 -6.957 -5.207 1.00 0.00 O ATOM 263 CB LYS A 18 -2.322 -5.388 -7.800 1.00 0.00 C ATOM 264 CG LYS A 18 -3.228 -6.497 -8.341 1.00 0.00 C ATOM 265 CD LYS A 18 -4.335 -5.918 -9.224 1.00 0.00 C ATOM 266 CE LYS A 18 -5.400 -6.973 -9.531 1.00 0.00 C ATOM 267 NZ LYS A 18 -6.729 -6.518 -9.067 1.00 0.00 N ATOM 0 H LYS A 18 -0.725 -4.309 -6.040 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.655 -4.646 -6.348 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.441 -4.489 -8.404 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.279 -5.692 -7.883 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.635 -7.209 -8.915 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.671 -7.048 -7.511 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.796 -5.066 -8.724 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.906 -5.548 -10.155 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.429 -7.167 -10.603 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.140 -7.913 -9.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -7.440 -7.246 -9.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.701 -6.355 -8.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.981 -5.633 -9.551 1.00 0.00 H new ATOM 366 N TRP A 24 -8.219 -3.307 -4.800 1.00 0.00 N ATOM 367 CA TRP A 24 -7.094 -2.396 -4.929 1.00 0.00 C ATOM 368 C TRP A 24 -6.842 -1.759 -3.561 1.00 0.00 C ATOM 369 O TRP A 24 -7.778 -1.312 -2.898 1.00 0.00 O ATOM 370 CB TRP A 24 -7.346 -1.366 -6.031 1.00 0.00 C ATOM 371 CG TRP A 24 -7.386 -1.960 -7.441 1.00 0.00 C ATOM 372 CD1 TRP A 24 -8.436 -2.487 -8.084 1.00 0.00 C ATOM 373 CD2 TRP A 24 -6.279 -2.065 -8.361 1.00 0.00 C ATOM 374 NE1 TRP A 24 -8.089 -2.924 -9.346 1.00 0.00 N ATOM 375 CE2 TRP A 24 -6.736 -2.659 -9.520 1.00 0.00 C ATOM 376 CE3 TRP A 24 -4.937 -1.672 -8.218 1.00 0.00 C ATOM 377 CZ2 TRP A 24 -5.915 -2.913 -10.626 1.00 0.00 C ATOM 378 CZ3 TRP A 24 -4.130 -1.933 -9.332 1.00 0.00 C ATOM 379 CH2 TRP A 24 -4.574 -2.529 -10.507 1.00 0.00 C ATOM 0 HA TRP A 24 -6.196 -2.933 -5.233 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -8.292 -0.862 -5.833 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -6.565 -0.607 -5.990 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -9.430 -2.561 -7.667 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -8.711 -3.361 -10.026 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -4.559 -1.206 -7.320 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -6.296 -3.380 -11.522 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -3.089 -1.651 -9.274 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -3.888 -2.695 -11.324 1.00 0.00 H new ATOM 390 N TRP A 25 -5.574 -1.737 -3.178 1.00 0.00 N ATOM 391 CA TRP A 25 -5.188 -1.161 -1.901 1.00 0.00 C ATOM 392 C TRP A 25 -4.009 -0.217 -2.145 1.00 0.00 C ATOM 393 O TRP A 25 -3.060 -0.570 -2.844 1.00 0.00 O ATOM 394 CB TRP A 25 -4.874 -2.256 -0.879 1.00 0.00 C ATOM 395 CG TRP A 25 -4.955 -1.790 0.576 1.00 0.00 C ATOM 396 CD1 TRP A 25 -4.001 -1.195 1.306 1.00 0.00 C ATOM 397 CD2 TRP A 25 -6.095 -1.905 1.454 1.00 0.00 C ATOM 398 NE1 TRP A 25 -4.441 -0.919 2.585 1.00 0.00 N ATOM 399 CE2 TRP A 25 -5.755 -1.365 2.678 1.00 0.00 C ATOM 400 CE3 TRP A 25 -7.371 -2.448 1.222 1.00 0.00 C ATOM 401 CZ2 TRP A 25 -6.635 -1.315 3.765 1.00 0.00 C ATOM 402 CZ3 TRP A 25 -8.239 -2.390 2.319 1.00 0.00 C ATOM 403 CH2 TRP A 25 -7.912 -1.850 3.557 1.00 0.00 C ATOM 0 H TRP A 25 -4.801 -2.109 -3.729 1.00 0.00 H new ATOM 0 HA TRP A 25 -6.010 -0.588 -1.472 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -5.568 -3.084 -1.024 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -3.873 -2.642 -1.071 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -3.012 -0.961 0.940 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -3.902 -0.471 3.326 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -7.659 -2.876 0.273 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -6.345 -0.887 4.713 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -9.233 -2.793 2.194 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -8.640 -1.843 4.355 1.00 0.00 H new ATOM 414 N PRO A 26 -4.110 0.997 -1.541 1.00 0.00 N ATOM 415 CA PRO A 26 -3.064 1.995 -1.685 1.00 0.00 C ATOM 416 C PRO A 26 -1.843 1.636 -0.837 1.00 0.00 C ATOM 417 O PRO A 26 -1.976 1.024 0.221 1.00 0.00 O ATOM 418 CB PRO A 26 -3.711 3.306 -1.270 1.00 0.00 C ATOM 419 CG PRO A 26 -4.946 2.926 -0.469 1.00 0.00 C ATOM 420 CD PRO A 26 -5.219 1.450 -0.706 1.00 0.00 C ATOM 0 HA PRO A 26 -2.682 2.060 -2.704 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -3.027 3.907 -0.671 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -3.979 3.902 -2.142 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -4.787 3.119 0.592 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.801 3.527 -0.778 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.258 0.899 0.234 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.177 1.299 -1.204 1.00 0.00 H new ATOM 428 N ALA A 27 -0.680 2.032 -1.334 1.00 0.00 N ATOM 429 CA ALA A 27 0.564 1.760 -0.635 1.00 0.00 C ATOM 430 C ALA A 27 1.669 2.655 -1.201 1.00 0.00 C ATOM 431 O ALA A 27 1.533 3.196 -2.298 1.00 0.00 O ATOM 432 CB ALA A 27 0.901 0.272 -0.753 1.00 0.00 C ATOM 0 H ALA A 27 -0.573 2.539 -2.213 1.00 0.00 H new ATOM 0 HA ALA A 27 0.466 1.989 0.426 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.834 0.068 -0.229 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.099 -0.319 -0.310 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.010 0.006 -1.804 1.00 0.00 H new ATOM 438 N GLU A 28 2.737 2.783 -0.428 1.00 0.00 N ATOM 439 CA GLU A 28 3.864 3.603 -0.839 1.00 0.00 C ATOM 440 C GLU A 28 5.168 2.812 -0.717 1.00 0.00 C ATOM 441 O GLU A 28 5.463 2.253 0.338 1.00 0.00 O ATOM 442 CB GLU A 28 3.928 4.895 -0.022 1.00 0.00 C ATOM 443 CG GLU A 28 5.169 5.713 -0.387 1.00 0.00 C ATOM 444 CD GLU A 28 5.562 6.652 0.755 1.00 0.00 C ATOM 445 OE1 GLU A 28 4.642 7.303 1.296 1.00 0.00 O ATOM 446 OE2 GLU A 28 6.773 6.697 1.061 1.00 0.00 O ATOM 0 H GLU A 28 2.846 2.333 0.481 1.00 0.00 H new ATOM 0 HA GLU A 28 3.726 3.879 -1.884 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.031 5.488 -0.202 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.945 4.657 1.041 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.998 5.042 -0.612 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.974 6.293 -1.289 1.00 0.00 H new ATOM 453 N ILE A 29 5.914 2.790 -1.812 1.00 0.00 N ATOM 454 CA ILE A 29 7.180 2.077 -1.841 1.00 0.00 C ATOM 455 C ILE A 29 8.095 2.626 -0.744 1.00 0.00 C ATOM 456 O ILE A 29 8.206 3.839 -0.574 1.00 0.00 O ATOM 457 CB ILE A 29 7.795 2.134 -3.241 1.00 0.00 C ATOM 458 CG1 ILE A 29 6.888 1.450 -4.266 1.00 0.00 C ATOM 459 CG2 ILE A 29 9.207 1.546 -3.243 1.00 0.00 C ATOM 460 CD1 ILE A 29 7.214 1.920 -5.685 1.00 0.00 C ATOM 0 H ILE A 29 5.666 3.254 -2.686 1.00 0.00 H new ATOM 0 HA ILE A 29 7.026 1.019 -1.628 1.00 0.00 H new ATOM 0 HB ILE A 29 7.881 3.180 -3.535 1.00 0.00 H new ATOM 0 HG12 ILE A 29 7.009 0.369 -4.200 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.845 1.668 -4.037 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.622 1.598 -4.250 1.00 0.00 H new ATOM 0 HG22 ILE A 29 9.839 2.114 -2.560 1.00 0.00 H new ATOM 0 HG23 ILE A 29 9.168 0.506 -2.920 1.00 0.00 H new ATOM 0 HD11 ILE A 29 6.555 1.419 -6.395 1.00 0.00 H new ATOM 0 HD12 ILE A 29 7.068 2.998 -5.754 1.00 0.00 H new ATOM 0 HD13 ILE A 29 8.251 1.678 -5.919 1.00 0.00 H new ATOM 472 N CYS A 30 8.726 1.707 -0.030 1.00 0.00 N ATOM 473 CA CYS A 30 9.628 2.083 1.046 1.00 0.00 C ATOM 474 C CYS A 30 10.999 1.466 0.762 1.00 0.00 C ATOM 475 O CYS A 30 11.135 0.634 -0.134 1.00 0.00 O ATOM 476 CB CYS A 30 9.085 1.663 2.413 1.00 0.00 C ATOM 477 SG CYS A 30 7.781 2.828 2.953 1.00 0.00 S ATOM 0 H CYS A 30 8.631 0.702 -0.175 1.00 0.00 H new ATOM 0 HA CYS A 30 9.720 3.168 1.083 1.00 0.00 H new ATOM 0 HB2 CYS A 30 8.681 0.652 2.358 1.00 0.00 H new ATOM 0 HB3 CYS A 30 9.893 1.644 3.144 1.00 0.00 H new ATOM 0 HG CYS A 30 6.799 2.806 2.101 1.00 0.00 H new ATOM 483 N ASN A 31 11.980 1.897 1.541 1.00 0.00 N ATOM 484 CA ASN A 31 13.335 1.397 1.384 1.00 0.00 C ATOM 485 C ASN A 31 13.558 0.230 2.348 1.00 0.00 C ATOM 486 O ASN A 31 12.806 0.059 3.306 1.00 0.00 O ATOM 487 CB ASN A 31 14.363 2.482 1.711 1.00 0.00 C ATOM 488 CG ASN A 31 14.813 3.211 0.443 1.00 0.00 C ATOM 489 OD1 ASN A 31 14.214 4.384 0.252 1.00 0.00 O flip ATOM 490 ND2 ASN A 31 15.647 2.741 -0.312 1.00 0.00 N flip ATOM 0 H ASN A 31 11.863 2.587 2.283 1.00 0.00 H new ATOM 0 HA ASN A 31 13.460 1.081 0.348 1.00 0.00 H new ATOM 0 HB2 ASN A 31 13.932 3.197 2.412 1.00 0.00 H new ATOM 0 HB3 ASN A 31 15.226 2.034 2.203 1.00 0.00 H new ATOM 0 HD21 ASN A 31 16.068 1.835 -0.106 1.00 0.00 H new ATOM 0 HD22 ASN A 31 15.924 3.254 -1.149 1.00 0.00 H new ATOM 497 N PRO A 32 14.621 -0.565 2.051 1.00 0.00 N ATOM 498 CA PRO A 32 14.952 -1.712 2.880 1.00 0.00 C ATOM 499 C PRO A 32 15.603 -1.270 4.192 1.00 0.00 C ATOM 500 O PRO A 32 15.624 -2.025 5.163 1.00 0.00 O ATOM 501 CB PRO A 32 15.868 -2.567 2.020 1.00 0.00 C ATOM 502 CG PRO A 32 16.388 -1.650 0.925 1.00 0.00 C ATOM 503 CD PRO A 32 15.533 -0.393 0.924 1.00 0.00 C ATOM 0 HA PRO A 32 14.072 -2.278 3.186 1.00 0.00 H new ATOM 0 HB2 PRO A 32 16.689 -2.975 2.610 1.00 0.00 H new ATOM 0 HB3 PRO A 32 15.328 -3.414 1.596 1.00 0.00 H new ATOM 0 HG2 PRO A 32 17.434 -1.400 1.102 1.00 0.00 H new ATOM 0 HG3 PRO A 32 16.338 -2.146 -0.044 1.00 0.00 H new ATOM 0 HD2 PRO A 32 16.144 0.502 1.042 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.988 -0.285 -0.014 1.00 0.00 H new ATOM 511 N ARG A 33 16.118 -0.050 4.179 1.00 0.00 N ATOM 512 CA ARG A 33 16.768 0.501 5.356 1.00 0.00 C ATOM 513 C ARG A 33 15.725 1.056 6.327 1.00 0.00 C ATOM 514 O ARG A 33 15.984 1.167 7.525 1.00 0.00 O ATOM 515 CB ARG A 33 17.745 1.616 4.975 1.00 0.00 C ATOM 516 CG ARG A 33 18.722 1.144 3.897 1.00 0.00 C ATOM 517 CD ARG A 33 20.030 0.651 4.520 1.00 0.00 C ATOM 518 NE ARG A 33 20.979 1.778 4.661 1.00 0.00 N ATOM 519 CZ ARG A 33 22.194 1.672 5.216 1.00 0.00 C ATOM 520 NH1 ARG A 33 22.615 0.490 5.686 1.00 0.00 N ATOM 521 NH2 ARG A 33 22.989 2.748 5.301 1.00 0.00 N ATOM 0 H ARG A 33 16.099 0.573 3.372 1.00 0.00 H new ATOM 0 HA ARG A 33 17.324 -0.305 5.836 1.00 0.00 H new ATOM 0 HB2 ARG A 33 17.191 2.482 4.614 1.00 0.00 H new ATOM 0 HB3 ARG A 33 18.299 1.937 5.857 1.00 0.00 H new ATOM 0 HG2 ARG A 33 18.267 0.342 3.315 1.00 0.00 H new ATOM 0 HG3 ARG A 33 18.929 1.961 3.206 1.00 0.00 H new ATOM 0 HD2 ARG A 33 19.833 0.206 5.495 1.00 0.00 H new ATOM 0 HD3 ARG A 33 20.468 -0.129 3.897 1.00 0.00 H new ATOM 0 HE ARG A 33 20.690 2.693 4.314 1.00 0.00 H new ATOM 0 HH11 ARG A 33 22.011 -0.329 5.621 1.00 0.00 H new ATOM 0 HH12 ARG A 33 23.540 0.409 6.108 1.00 0.00 H new ATOM 0 HH21 ARG A 33 22.669 3.648 4.943 1.00 0.00 H new ATOM 0 HH22 ARG A 33 23.914 2.667 5.724 1.00 0.00 H new ATOM 535 N SER A 34 14.568 1.391 5.776 1.00 0.00 N ATOM 536 CA SER A 34 13.485 1.932 6.579 1.00 0.00 C ATOM 537 C SER A 34 12.761 0.800 7.312 1.00 0.00 C ATOM 538 O SER A 34 12.780 0.740 8.540 1.00 0.00 O ATOM 539 CB SER A 34 12.499 2.720 5.714 1.00 0.00 C ATOM 540 OG SER A 34 12.611 4.125 5.922 1.00 0.00 O ATOM 0 H SER A 34 14.357 1.298 4.782 1.00 0.00 H new ATOM 0 HA SER A 34 13.912 2.617 7.312 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.678 2.494 4.663 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.482 2.400 5.940 1.00 0.00 H new ATOM 0 HG SER A 34 11.967 4.593 5.351 1.00 0.00 H new ATOM 546 N VAL A 35 12.141 -0.069 6.527 1.00 0.00 N ATOM 547 CA VAL A 35 11.413 -1.195 7.086 1.00 0.00 C ATOM 548 C VAL A 35 12.277 -1.880 8.146 1.00 0.00 C ATOM 549 O VAL A 35 13.499 -1.743 8.139 1.00 0.00 O ATOM 550 CB VAL A 35 10.976 -2.143 5.967 1.00 0.00 C ATOM 551 CG1 VAL A 35 10.281 -1.377 4.840 1.00 0.00 C ATOM 552 CG2 VAL A 35 12.163 -2.946 5.434 1.00 0.00 C ATOM 0 H VAL A 35 12.128 -0.016 5.508 1.00 0.00 H new ATOM 0 HA VAL A 35 10.503 -0.854 7.579 1.00 0.00 H new ATOM 0 HB VAL A 35 10.257 -2.847 6.386 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.981 -2.074 4.058 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.399 -0.871 5.234 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.967 -0.639 4.425 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.825 -3.612 4.640 1.00 0.00 H new ATOM 0 HG22 VAL A 35 12.916 -2.264 5.039 1.00 0.00 H new ATOM 0 HG23 VAL A 35 12.596 -3.536 6.242 1.00 0.00 H new ATOM 562 N PRO A 36 11.591 -2.622 9.056 1.00 0.00 N ATOM 563 CA PRO A 36 12.282 -3.328 10.121 1.00 0.00 C ATOM 564 C PRO A 36 12.986 -4.576 9.584 1.00 0.00 C ATOM 565 O PRO A 36 12.593 -5.120 8.553 1.00 0.00 O ATOM 566 CB PRO A 36 11.206 -3.648 11.145 1.00 0.00 C ATOM 567 CG PRO A 36 9.881 -3.524 10.410 1.00 0.00 C ATOM 568 CD PRO A 36 10.143 -2.806 9.096 1.00 0.00 C ATOM 0 HA PRO A 36 13.077 -2.734 10.572 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.337 -4.652 11.548 1.00 0.00 H new ATOM 0 HB3 PRO A 36 11.251 -2.958 11.988 1.00 0.00 H new ATOM 0 HG2 PRO A 36 9.452 -4.509 10.228 1.00 0.00 H new ATOM 0 HG3 PRO A 36 9.161 -2.969 11.012 1.00 0.00 H new ATOM 0 HD2 PRO A 36 9.795 -3.394 8.247 1.00 0.00 H new ATOM 0 HD3 PRO A 36 9.621 -1.850 9.056 1.00 0.00 H new ATOM 576 N LEU A 37 14.015 -4.994 10.307 1.00 0.00 N ATOM 577 CA LEU A 37 14.777 -6.167 9.915 1.00 0.00 C ATOM 578 C LEU A 37 13.815 -7.319 9.617 1.00 0.00 C ATOM 579 O LEU A 37 14.011 -8.064 8.658 1.00 0.00 O ATOM 580 CB LEU A 37 15.827 -6.502 10.977 1.00 0.00 C ATOM 581 CG LEU A 37 17.288 -6.368 10.541 1.00 0.00 C ATOM 582 CD1 LEU A 37 17.601 -7.311 9.377 1.00 0.00 C ATOM 583 CD2 LEU A 37 17.630 -4.914 10.209 1.00 0.00 C ATOM 0 H LEU A 37 14.338 -4.541 11.162 1.00 0.00 H new ATOM 0 HA LEU A 37 15.334 -5.971 8.999 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.664 -5.853 11.838 1.00 0.00 H new ATOM 0 HB3 LEU A 37 15.661 -7.525 11.313 1.00 0.00 H new ATOM 0 HG LEU A 37 17.923 -6.665 11.376 1.00 0.00 H new ATOM 0 HD11 LEU A 37 18.645 -7.196 9.086 1.00 0.00 H new ATOM 0 HD12 LEU A 37 17.421 -8.341 9.685 1.00 0.00 H new ATOM 0 HD13 LEU A 37 16.960 -7.068 8.530 1.00 0.00 H new ATOM 0 HD21 LEU A 37 18.674 -4.847 9.902 1.00 0.00 H new ATOM 0 HD22 LEU A 37 16.990 -4.566 9.398 1.00 0.00 H new ATOM 0 HD23 LEU A 37 17.470 -4.292 11.090 1.00 0.00 H new ATOM 595 N ASN A 38 12.796 -7.429 10.457 1.00 0.00 N ATOM 596 CA ASN A 38 11.803 -8.478 10.296 1.00 0.00 C ATOM 597 C ASN A 38 11.435 -8.601 8.816 1.00 0.00 C ATOM 598 O ASN A 38 11.308 -9.708 8.294 1.00 0.00 O ATOM 599 CB ASN A 38 10.527 -8.153 11.075 1.00 0.00 C ATOM 600 CG ASN A 38 9.952 -9.409 11.733 1.00 0.00 C ATOM 601 OD1 ASN A 38 10.345 -9.809 12.817 1.00 0.00 O ATOM 602 ND2 ASN A 38 9.002 -10.006 11.020 1.00 0.00 N ATOM 0 H ASN A 38 12.637 -6.809 11.251 1.00 0.00 H new ATOM 0 HA ASN A 38 12.229 -9.407 10.674 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.743 -7.405 11.838 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.787 -7.719 10.403 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.555 -10.852 11.373 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.720 -9.618 10.120 1.00 0.00 H new ATOM 609 N ILE A 39 11.272 -7.450 8.181 1.00 0.00 N ATOM 610 CA ILE A 39 10.921 -7.415 6.772 1.00 0.00 C ATOM 611 C ILE A 39 12.158 -7.744 5.934 1.00 0.00 C ATOM 612 O ILE A 39 12.117 -8.631 5.082 1.00 0.00 O ATOM 613 CB ILE A 39 10.274 -6.076 6.414 1.00 0.00 C ATOM 614 CG1 ILE A 39 9.239 -5.668 7.465 1.00 0.00 C ATOM 615 CG2 ILE A 39 9.676 -6.114 5.006 1.00 0.00 C ATOM 616 CD1 ILE A 39 8.261 -6.812 7.744 1.00 0.00 C ATOM 0 H ILE A 39 11.377 -6.534 8.617 1.00 0.00 H new ATOM 0 HA ILE A 39 10.172 -8.175 6.547 1.00 0.00 H new ATOM 0 HB ILE A 39 11.051 -5.312 6.413 1.00 0.00 H new ATOM 0 HG12 ILE A 39 9.745 -5.384 8.388 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.690 -4.792 7.120 1.00 0.00 H new ATOM 0 HG21 ILE A 39 9.223 -5.150 4.777 1.00 0.00 H new ATOM 0 HG22 ILE A 39 10.463 -6.326 4.282 1.00 0.00 H new ATOM 0 HG23 ILE A 39 8.916 -6.894 4.954 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.536 -6.496 8.494 1.00 0.00 H new ATOM 0 HD12 ILE A 39 7.739 -7.077 6.824 1.00 0.00 H new ATOM 0 HD13 ILE A 39 8.810 -7.678 8.112 1.00 0.00 H new ATOM 628 N GLN A 40 13.228 -7.012 6.204 1.00 0.00 N ATOM 629 CA GLN A 40 14.475 -7.215 5.485 1.00 0.00 C ATOM 630 C GLN A 40 14.782 -8.709 5.367 1.00 0.00 C ATOM 631 O GLN A 40 15.126 -9.192 4.290 1.00 0.00 O ATOM 632 CB GLN A 40 15.626 -6.470 6.164 1.00 0.00 C ATOM 633 CG GLN A 40 15.424 -4.956 6.082 1.00 0.00 C ATOM 634 CD GLN A 40 16.723 -4.211 6.397 1.00 0.00 C ATOM 635 OE1 GLN A 40 17.797 -4.561 5.935 1.00 0.00 O ATOM 636 NE2 GLN A 40 16.566 -3.168 7.207 1.00 0.00 N ATOM 0 H GLN A 40 13.258 -6.277 6.911 1.00 0.00 H new ATOM 0 HA GLN A 40 14.364 -6.807 4.480 1.00 0.00 H new ATOM 0 HB2 GLN A 40 15.695 -6.775 7.208 1.00 0.00 H new ATOM 0 HB3 GLN A 40 16.569 -6.741 5.689 1.00 0.00 H new ATOM 0 HG2 GLN A 40 15.078 -4.685 5.084 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.647 -4.651 6.783 1.00 0.00 H new ATOM 0 HE21 GLN A 40 15.638 -2.930 7.558 1.00 0.00 H new ATOM 0 HE22 GLN A 40 17.373 -2.606 7.477 1.00 0.00 H new ATOM 645 N GLY A 41 14.647 -9.399 6.490 1.00 0.00 N ATOM 646 CA GLY A 41 14.906 -10.828 6.526 1.00 0.00 C ATOM 647 C GLY A 41 14.200 -11.542 5.371 1.00 0.00 C ATOM 648 O GLY A 41 14.677 -12.567 4.886 1.00 0.00 O ATOM 0 H GLY A 41 14.362 -8.995 7.382 1.00 0.00 H new ATOM 0 HA2 GLY A 41 15.979 -11.008 6.468 1.00 0.00 H new ATOM 0 HA3 GLY A 41 14.564 -11.239 7.476 1.00 0.00 H new ATOM 652 N LEU A 42 13.075 -10.972 4.964 1.00 0.00 N ATOM 653 CA LEU A 42 12.299 -11.542 3.876 1.00 0.00 C ATOM 654 C LEU A 42 13.190 -11.686 2.641 1.00 0.00 C ATOM 655 O LEU A 42 13.916 -10.760 2.282 1.00 0.00 O ATOM 656 CB LEU A 42 11.035 -10.715 3.629 1.00 0.00 C ATOM 657 CG LEU A 42 10.139 -10.480 4.846 1.00 0.00 C ATOM 658 CD1 LEU A 42 9.232 -9.266 4.634 1.00 0.00 C ATOM 659 CD2 LEU A 42 9.340 -11.739 5.190 1.00 0.00 C ATOM 0 H LEU A 42 12.683 -10.122 5.368 1.00 0.00 H new ATOM 0 HA LEU A 42 11.952 -12.542 4.138 1.00 0.00 H new ATOM 0 HB2 LEU A 42 11.332 -9.746 3.228 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.445 -11.211 2.859 1.00 0.00 H new ATOM 0 HG LEU A 42 10.777 -10.259 5.702 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.606 -9.122 5.514 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.844 -8.378 4.474 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.600 -9.432 3.762 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.711 -11.545 6.059 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.713 -12.015 4.342 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.026 -12.556 5.414 1.00 0.00 H new ATOM 748 N ASP A 48 11.660 -6.664 -7.050 1.00 0.00 N ATOM 749 CA ASP A 48 10.707 -6.571 -5.957 1.00 0.00 C ATOM 750 C ASP A 48 11.315 -5.739 -4.826 1.00 0.00 C ATOM 751 O ASP A 48 12.385 -6.068 -4.316 1.00 0.00 O ATOM 752 CB ASP A 48 10.370 -7.955 -5.399 1.00 0.00 C ATOM 753 CG ASP A 48 9.948 -8.989 -6.445 1.00 0.00 C ATOM 754 OD1 ASP A 48 10.736 -9.191 -7.393 1.00 0.00 O ATOM 755 OD2 ASP A 48 8.846 -9.553 -6.272 1.00 0.00 O ATOM 0 HA ASP A 48 9.798 -6.107 -6.341 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.240 -8.336 -4.864 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.567 -7.850 -4.669 1.00 0.00 H new ATOM 760 N PHE A 49 10.606 -4.679 -4.466 1.00 0.00 N ATOM 761 CA PHE A 49 11.063 -3.799 -3.404 1.00 0.00 C ATOM 762 C PHE A 49 10.084 -3.804 -2.229 1.00 0.00 C ATOM 763 O PHE A 49 8.941 -4.237 -2.369 1.00 0.00 O ATOM 764 CB PHE A 49 11.128 -2.387 -3.991 1.00 0.00 C ATOM 765 CG PHE A 49 10.048 -2.097 -5.035 1.00 0.00 C ATOM 766 CD1 PHE A 49 8.783 -1.795 -4.639 1.00 0.00 C ATOM 767 CD2 PHE A 49 10.354 -2.139 -6.360 1.00 0.00 C ATOM 768 CE1 PHE A 49 7.781 -1.525 -5.608 1.00 0.00 C ATOM 769 CE2 PHE A 49 9.352 -1.869 -7.329 1.00 0.00 C ATOM 770 CZ PHE A 49 8.086 -1.568 -6.932 1.00 0.00 C ATOM 0 H PHE A 49 9.719 -4.410 -4.891 1.00 0.00 H new ATOM 0 HA PHE A 49 12.033 -4.133 -3.036 1.00 0.00 H new ATOM 0 HB2 PHE A 49 11.039 -1.663 -3.181 1.00 0.00 H new ATOM 0 HB3 PHE A 49 12.108 -2.238 -4.445 1.00 0.00 H new ATOM 0 HD1 PHE A 49 8.540 -1.760 -3.587 1.00 0.00 H new ATOM 0 HD2 PHE A 49 11.359 -2.378 -6.675 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.776 -1.285 -5.293 1.00 0.00 H new ATOM 0 HE2 PHE A 49 9.595 -1.903 -8.381 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.323 -1.363 -7.669 1.00 0.00 H new ATOM 780 N PRO A 50 10.581 -3.307 -1.065 1.00 0.00 N ATOM 781 CA PRO A 50 9.763 -3.250 0.135 1.00 0.00 C ATOM 782 C PRO A 50 8.739 -2.117 0.048 1.00 0.00 C ATOM 783 O PRO A 50 9.088 -0.983 -0.277 1.00 0.00 O ATOM 784 CB PRO A 50 10.751 -3.071 1.276 1.00 0.00 C ATOM 785 CG PRO A 50 12.037 -2.569 0.640 1.00 0.00 C ATOM 786 CD PRO A 50 11.930 -2.786 -0.861 1.00 0.00 C ATOM 0 HA PRO A 50 9.166 -4.150 0.280 1.00 0.00 H new ATOM 0 HB2 PRO A 50 10.375 -2.359 2.010 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.916 -4.012 1.801 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.186 -1.513 0.863 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.897 -3.105 1.043 1.00 0.00 H new ATOM 0 HD2 PRO A 50 12.082 -1.855 -1.407 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.684 -3.490 -1.214 1.00 0.00 H new ATOM 794 N VAL A 51 7.494 -2.463 0.343 1.00 0.00 N ATOM 795 CA VAL A 51 6.417 -1.489 0.301 1.00 0.00 C ATOM 796 C VAL A 51 5.593 -1.591 1.587 1.00 0.00 C ATOM 797 O VAL A 51 5.530 -2.653 2.205 1.00 0.00 O ATOM 798 CB VAL A 51 5.579 -1.690 -0.963 1.00 0.00 C ATOM 799 CG1 VAL A 51 6.463 -1.702 -2.211 1.00 0.00 C ATOM 800 CG2 VAL A 51 4.743 -2.968 -0.870 1.00 0.00 C ATOM 0 H VAL A 51 7.208 -3.404 0.612 1.00 0.00 H new ATOM 0 HA VAL A 51 6.819 -0.477 0.251 1.00 0.00 H new ATOM 0 HB VAL A 51 4.893 -0.847 -1.047 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.842 -1.846 -3.095 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.993 -0.753 -2.291 1.00 0.00 H new ATOM 0 HG13 VAL A 51 7.185 -2.515 -2.138 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.157 -3.087 -1.781 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.403 -3.827 -0.749 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.072 -2.902 -0.013 1.00 0.00 H new ATOM 810 N PHE A 52 4.984 -0.473 1.952 1.00 0.00 N ATOM 811 CA PHE A 52 4.167 -0.423 3.153 1.00 0.00 C ATOM 812 C PHE A 52 2.684 -0.288 2.802 1.00 0.00 C ATOM 813 O PHE A 52 2.290 0.644 2.103 1.00 0.00 O ATOM 814 CB PHE A 52 4.607 0.812 3.941 1.00 0.00 C ATOM 815 CG PHE A 52 3.807 1.048 5.225 1.00 0.00 C ATOM 816 CD1 PHE A 52 3.767 0.087 6.187 1.00 0.00 C ATOM 817 CD2 PHE A 52 3.138 2.218 5.403 1.00 0.00 C ATOM 818 CE1 PHE A 52 3.025 0.306 7.378 1.00 0.00 C ATOM 819 CE2 PHE A 52 2.396 2.436 6.594 1.00 0.00 C ATOM 820 CZ PHE A 52 2.355 1.476 7.556 1.00 0.00 C ATOM 0 H PHE A 52 5.040 0.406 1.437 1.00 0.00 H new ATOM 0 HA PHE A 52 4.294 -1.340 3.729 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.662 0.711 4.196 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.516 1.690 3.302 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.299 -0.842 6.045 1.00 0.00 H new ATOM 0 HD2 PHE A 52 3.171 2.981 4.639 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.993 -0.456 8.142 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.864 3.365 6.736 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.790 1.643 8.461 1.00 0.00 H new ATOM 830 N PHE A 53 1.902 -1.233 3.303 1.00 0.00 N ATOM 831 CA PHE A 53 0.471 -1.231 3.052 1.00 0.00 C ATOM 832 C PHE A 53 -0.268 -0.387 4.092 1.00 0.00 C ATOM 833 O PHE A 53 -0.210 -0.677 5.286 1.00 0.00 O ATOM 834 CB PHE A 53 -0.004 -2.682 3.160 1.00 0.00 C ATOM 835 CG PHE A 53 0.289 -3.526 1.918 1.00 0.00 C ATOM 836 CD1 PHE A 53 1.536 -3.529 1.376 1.00 0.00 C ATOM 837 CD2 PHE A 53 -0.698 -4.274 1.356 1.00 0.00 C ATOM 838 CE1 PHE A 53 1.808 -4.313 0.223 1.00 0.00 C ATOM 839 CE2 PHE A 53 -0.426 -5.058 0.203 1.00 0.00 C ATOM 840 CZ PHE A 53 0.821 -5.061 -0.339 1.00 0.00 C ATOM 0 H PHE A 53 2.232 -2.005 3.882 1.00 0.00 H new ATOM 0 HA PHE A 53 0.267 -0.807 2.069 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.473 -3.146 4.023 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.078 -2.689 3.347 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.320 -2.935 1.822 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.689 -4.272 1.786 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.799 -4.315 -0.207 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.210 -5.652 -0.243 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.028 -5.657 -1.216 1.00 0.00 H new ATOM 850 N PHE A 54 -0.944 0.641 3.601 1.00 0.00 N ATOM 851 CA PHE A 54 -1.694 1.529 4.473 1.00 0.00 C ATOM 852 C PHE A 54 -2.880 0.802 5.109 1.00 0.00 C ATOM 853 O PHE A 54 -3.219 -0.310 4.707 1.00 0.00 O ATOM 854 CB PHE A 54 -2.219 2.672 3.602 1.00 0.00 C ATOM 855 CG PHE A 54 -1.120 3.496 2.928 1.00 0.00 C ATOM 856 CD1 PHE A 54 -0.049 3.922 3.650 1.00 0.00 C ATOM 857 CD2 PHE A 54 -1.215 3.804 1.606 1.00 0.00 C ATOM 858 CE1 PHE A 54 0.971 4.687 3.024 1.00 0.00 C ATOM 859 CE2 PHE A 54 -0.195 4.568 0.980 1.00 0.00 C ATOM 860 CZ PHE A 54 0.876 4.994 1.702 1.00 0.00 C ATOM 0 H PHE A 54 -0.988 0.879 2.610 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.052 1.891 5.276 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.872 2.259 2.833 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.829 3.333 4.217 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.026 3.679 4.700 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.066 3.467 1.033 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.822 5.025 3.597 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.270 4.811 -0.070 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.651 5.576 1.226 1.00 0.00 H new ATOM 870 N GLY A 55 -3.478 1.459 6.091 1.00 0.00 N ATOM 871 CA GLY A 55 -4.620 0.888 6.787 1.00 0.00 C ATOM 872 C GLY A 55 -4.187 -0.259 7.701 1.00 0.00 C ATOM 873 O GLY A 55 -4.369 -0.192 8.916 1.00 0.00 O ATOM 0 H GLY A 55 -3.194 2.381 6.422 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.115 1.660 7.376 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.348 0.525 6.062 1.00 0.00 H new ATOM 877 N SER A 56 -3.622 -1.286 7.083 1.00 0.00 N ATOM 878 CA SER A 56 -3.162 -2.446 7.826 1.00 0.00 C ATOM 879 C SER A 56 -1.802 -2.154 8.464 1.00 0.00 C ATOM 880 O SER A 56 -1.599 -2.417 9.648 1.00 0.00 O ATOM 881 CB SER A 56 -3.070 -3.678 6.922 1.00 0.00 C ATOM 882 OG SER A 56 -2.976 -4.885 7.673 1.00 0.00 O ATOM 0 H SER A 56 -3.472 -1.338 6.075 1.00 0.00 H new ATOM 0 HA SER A 56 -3.887 -2.658 8.612 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.947 -3.720 6.276 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.200 -3.587 6.272 1.00 0.00 H new ATOM 0 HG SER A 56 -2.319 -5.480 7.255 1.00 0.00 H new ATOM 888 N HIS A 57 -0.907 -1.613 7.651 1.00 0.00 N ATOM 889 CA HIS A 57 0.427 -1.282 8.122 1.00 0.00 C ATOM 890 C HIS A 57 1.291 -2.544 8.147 1.00 0.00 C ATOM 891 O HIS A 57 1.715 -2.990 9.213 1.00 0.00 O ATOM 892 CB HIS A 57 0.366 -0.579 9.480 1.00 0.00 C ATOM 893 CG HIS A 57 -0.720 0.466 9.581 1.00 0.00 C ATOM 894 ND1 HIS A 57 -1.397 1.145 8.611 1.00 0.00 N flip ATOM 895 CD2 HIS A 57 -1.217 0.916 10.792 1.00 0.00 C flip ATOM 896 CE1 HIS A 57 -2.262 1.964 9.198 1.00 0.00 C flip ATOM 897 NE2 HIS A 57 -2.151 1.823 10.550 1.00 0.00 N flip ATOM 0 H HIS A 57 -1.079 -1.396 6.669 1.00 0.00 H new ATOM 0 HA HIS A 57 0.894 -0.577 7.434 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.211 -1.326 10.258 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.329 -0.108 9.678 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.897 0.584 11.769 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -2.941 2.632 8.689 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -2.693 2.328 11.252 1.00 0.00 H new ATOM 905 N ASP A 58 1.526 -3.085 6.961 1.00 0.00 N ATOM 906 CA ASP A 58 2.331 -4.288 6.833 1.00 0.00 C ATOM 907 C ASP A 58 3.254 -4.152 5.620 1.00 0.00 C ATOM 908 O ASP A 58 2.847 -3.636 4.581 1.00 0.00 O ATOM 909 CB ASP A 58 1.451 -5.521 6.622 1.00 0.00 C ATOM 910 CG ASP A 58 0.166 -5.548 7.452 1.00 0.00 C ATOM 911 OD1 ASP A 58 0.267 -5.258 8.664 1.00 0.00 O ATOM 912 OD2 ASP A 58 -0.888 -5.857 6.856 1.00 0.00 O ATOM 0 H ASP A 58 1.173 -2.712 6.080 1.00 0.00 H new ATOM 0 HA ASP A 58 2.905 -4.409 7.752 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.185 -5.583 5.567 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.036 -6.411 6.856 1.00 0.00 H new ATOM 917 N TYR A 59 4.479 -4.625 5.793 1.00 0.00 N ATOM 918 CA TYR A 59 5.463 -4.563 4.725 1.00 0.00 C ATOM 919 C TYR A 59 5.515 -5.882 3.951 1.00 0.00 C ATOM 920 O TYR A 59 5.255 -6.946 4.511 1.00 0.00 O ATOM 921 CB TYR A 59 6.813 -4.333 5.408 1.00 0.00 C ATOM 922 CG TYR A 59 6.845 -3.109 6.326 1.00 0.00 C ATOM 923 CD1 TYR A 59 6.889 -1.841 5.784 1.00 0.00 C ATOM 924 CD2 TYR A 59 6.829 -3.274 7.696 1.00 0.00 C ATOM 925 CE1 TYR A 59 6.919 -0.689 6.648 1.00 0.00 C ATOM 926 CE2 TYR A 59 6.859 -2.122 8.560 1.00 0.00 C ATOM 927 CZ TYR A 59 6.903 -0.887 7.993 1.00 0.00 C ATOM 928 OH TYR A 59 6.931 0.201 8.810 1.00 0.00 O ATOM 0 H TYR A 59 4.813 -5.053 6.657 1.00 0.00 H new ATOM 0 HA TYR A 59 5.212 -3.773 4.017 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.070 -5.218 5.990 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.581 -4.221 4.643 1.00 0.00 H new ATOM 0 HD1 TYR A 59 6.901 -1.712 4.712 1.00 0.00 H new ATOM 0 HD2 TYR A 59 6.794 -4.267 8.120 1.00 0.00 H new ATOM 0 HE1 TYR A 59 6.953 0.309 6.237 1.00 0.00 H new ATOM 0 HE2 TYR A 59 6.847 -2.237 9.634 1.00 0.00 H new ATOM 0 HH TYR A 59 6.914 -0.092 9.745 1.00 0.00 H new ATOM 938 N TYR A 60 5.853 -5.769 2.675 1.00 0.00 N ATOM 939 CA TYR A 60 5.943 -6.939 1.818 1.00 0.00 C ATOM 940 C TYR A 60 6.845 -6.667 0.612 1.00 0.00 C ATOM 941 O TYR A 60 7.050 -5.515 0.233 1.00 0.00 O ATOM 942 CB TYR A 60 4.521 -7.210 1.324 1.00 0.00 C ATOM 943 CG TYR A 60 3.520 -7.506 2.443 1.00 0.00 C ATOM 944 CD1 TYR A 60 3.727 -8.578 3.289 1.00 0.00 C ATOM 945 CD2 TYR A 60 2.411 -6.702 2.608 1.00 0.00 C ATOM 946 CE1 TYR A 60 2.785 -8.856 4.342 1.00 0.00 C ATOM 947 CE2 TYR A 60 1.469 -6.981 3.661 1.00 0.00 C ATOM 948 CZ TYR A 60 1.703 -8.044 4.476 1.00 0.00 C ATOM 949 OH TYR A 60 0.813 -8.307 5.470 1.00 0.00 O ATOM 0 H TYR A 60 6.068 -4.885 2.214 1.00 0.00 H new ATOM 0 HA TYR A 60 6.364 -7.783 2.364 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.173 -6.346 0.758 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.541 -8.055 0.635 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.595 -9.208 3.161 1.00 0.00 H new ATOM 0 HD2 TYR A 60 2.249 -5.863 1.947 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.935 -9.691 5.010 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.596 -6.360 3.800 1.00 0.00 H new ATOM 0 HH TYR A 60 0.091 -7.645 5.447 1.00 0.00 H new ATOM 959 N TRP A 61 7.359 -7.747 0.043 1.00 0.00 N ATOM 960 CA TRP A 61 8.235 -7.640 -1.112 1.00 0.00 C ATOM 961 C TRP A 61 7.426 -8.020 -2.354 1.00 0.00 C ATOM 962 O TRP A 61 7.298 -9.199 -2.680 1.00 0.00 O ATOM 963 CB TRP A 61 9.489 -8.497 -0.930 1.00 0.00 C ATOM 964 CG TRP A 61 10.411 -8.019 0.194 1.00 0.00 C ATOM 965 CD1 TRP A 61 10.326 -8.293 1.503 1.00 0.00 C ATOM 966 CD2 TRP A 61 11.568 -7.168 0.053 1.00 0.00 C ATOM 967 NE1 TRP A 61 11.340 -7.683 2.213 1.00 0.00 N ATOM 968 CE2 TRP A 61 12.119 -6.978 1.304 1.00 0.00 C ATOM 969 CE3 TRP A 61 12.131 -6.579 -1.093 1.00 0.00 C ATOM 970 CZ2 TRP A 61 13.260 -6.198 1.529 1.00 0.00 C ATOM 971 CZ3 TRP A 61 13.271 -5.803 -0.851 1.00 0.00 C ATOM 972 CH2 TRP A 61 13.838 -5.601 0.402 1.00 0.00 C ATOM 0 H TRP A 61 7.186 -8.701 0.360 1.00 0.00 H new ATOM 0 HA TRP A 61 8.596 -6.618 -1.230 1.00 0.00 H new ATOM 0 HB2 TRP A 61 9.188 -9.525 -0.727 1.00 0.00 H new ATOM 0 HB3 TRP A 61 10.048 -8.508 -1.865 1.00 0.00 H new ATOM 0 HD1 TRP A 61 9.561 -8.913 1.946 1.00 0.00 H new ATOM 0 HE1 TRP A 61 11.490 -7.739 3.220 1.00 0.00 H new ATOM 0 HE3 TRP A 61 11.717 -6.714 -2.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 13.672 -6.064 2.518 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 13.743 -5.328 -1.698 1.00 0.00 H new ATOM 0 HH2 TRP A 61 14.720 -4.987 0.506 1.00 0.00 H new ATOM 983 N VAL A 62 6.902 -6.998 -3.015 1.00 0.00 N ATOM 984 CA VAL A 62 6.110 -7.210 -4.215 1.00 0.00 C ATOM 985 C VAL A 62 6.911 -6.756 -5.436 1.00 0.00 C ATOM 986 O VAL A 62 7.551 -5.706 -5.409 1.00 0.00 O ATOM 987 CB VAL A 62 4.763 -6.496 -4.085 1.00 0.00 C ATOM 988 CG1 VAL A 62 4.039 -6.920 -2.805 1.00 0.00 C ATOM 989 CG2 VAL A 62 4.940 -4.977 -4.137 1.00 0.00 C ATOM 0 H VAL A 62 7.010 -6.021 -2.742 1.00 0.00 H new ATOM 0 HA VAL A 62 5.890 -8.270 -4.346 1.00 0.00 H new ATOM 0 HB VAL A 62 4.145 -6.790 -4.933 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.085 -6.398 -2.737 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.864 -7.996 -2.825 1.00 0.00 H new ATOM 0 HG13 VAL A 62 4.652 -6.669 -1.940 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.967 -4.494 -4.042 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.585 -4.658 -3.318 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.394 -4.696 -5.087 1.00 0.00 H new ATOM 999 N HIS A 63 6.850 -7.571 -6.480 1.00 0.00 N ATOM 1000 CA HIS A 63 7.563 -7.267 -7.709 1.00 0.00 C ATOM 1001 C HIS A 63 7.169 -5.872 -8.199 1.00 0.00 C ATOM 1002 O HIS A 63 6.392 -5.177 -7.545 1.00 0.00 O ATOM 1003 CB HIS A 63 7.322 -8.353 -8.759 1.00 0.00 C ATOM 1004 CG HIS A 63 5.886 -8.810 -8.853 1.00 0.00 C ATOM 1005 ND1 HIS A 63 5.482 -9.848 -9.674 1.00 0.00 N ATOM 1006 CD2 HIS A 63 4.765 -8.360 -8.220 1.00 0.00 C ATOM 1007 CE1 HIS A 63 4.174 -10.007 -9.534 1.00 0.00 C ATOM 1008 NE2 HIS A 63 3.731 -9.083 -8.633 1.00 0.00 N ATOM 0 H HIS A 63 6.318 -8.441 -6.500 1.00 0.00 H new ATOM 0 HA HIS A 63 8.636 -7.258 -7.518 1.00 0.00 H new ATOM 0 HB2 HIS A 63 7.638 -7.979 -9.733 1.00 0.00 H new ATOM 0 HB3 HIS A 63 7.952 -9.213 -8.529 1.00 0.00 H new ATOM 0 HD2 HIS A 63 4.725 -7.552 -7.504 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.565 -10.739 -10.044 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.765 -8.967 -8.327 1.00 0.00 H new ATOM 1016 N GLN A 64 7.723 -5.504 -9.345 1.00 0.00 N ATOM 1017 CA GLN A 64 7.439 -4.204 -9.929 1.00 0.00 C ATOM 1018 C GLN A 64 6.624 -4.367 -11.214 1.00 0.00 C ATOM 1019 O GLN A 64 6.730 -5.385 -11.896 1.00 0.00 O ATOM 1020 CB GLN A 64 8.731 -3.428 -10.194 1.00 0.00 C ATOM 1021 CG GLN A 64 9.340 -3.822 -11.542 1.00 0.00 C ATOM 1022 CD GLN A 64 10.851 -3.580 -11.552 1.00 0.00 C ATOM 1023 OE1 GLN A 64 11.346 -2.565 -11.090 1.00 0.00 O ATOM 1024 NE2 GLN A 64 11.552 -4.566 -12.103 1.00 0.00 N ATOM 0 H GLN A 64 8.367 -6.083 -9.884 1.00 0.00 H new ATOM 0 HA GLN A 64 6.848 -3.628 -9.217 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.526 -2.358 -10.183 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.447 -3.624 -9.396 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.135 -4.873 -11.745 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.870 -3.246 -12.340 1.00 0.00 H new ATOM 0 HE21 GLN A 64 11.073 -5.388 -12.471 1.00 0.00 H new ATOM 0 HE22 GLN A 64 12.568 -4.500 -12.158 1.00 0.00 H new ATOM 1033 N GLY A 65 5.828 -3.348 -11.505 1.00 0.00 N ATOM 1034 CA GLY A 65 4.995 -3.365 -12.695 1.00 0.00 C ATOM 1035 C GLY A 65 3.541 -3.685 -12.343 1.00 0.00 C ATOM 1036 O GLY A 65 2.639 -3.462 -13.149 1.00 0.00 O ATOM 0 H GLY A 65 5.743 -2.505 -10.937 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.047 -2.397 -13.194 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.374 -4.107 -13.398 1.00 0.00 H new ATOM 1040 N ARG A 66 3.358 -4.203 -11.137 1.00 0.00 N ATOM 1041 CA ARG A 66 2.030 -4.557 -10.668 1.00 0.00 C ATOM 1042 C ARG A 66 1.428 -3.405 -9.860 1.00 0.00 C ATOM 1043 O ARG A 66 0.255 -3.445 -9.493 1.00 0.00 O ATOM 1044 CB ARG A 66 2.069 -5.814 -9.797 1.00 0.00 C ATOM 1045 CG ARG A 66 2.202 -7.073 -10.657 1.00 0.00 C ATOM 1046 CD ARG A 66 0.922 -7.909 -10.606 1.00 0.00 C ATOM 1047 NE ARG A 66 0.713 -8.595 -11.901 1.00 0.00 N ATOM 1048 CZ ARG A 66 0.216 -8.000 -12.994 1.00 0.00 C ATOM 1049 NH1 ARG A 66 -0.128 -6.706 -12.955 1.00 0.00 N ATOM 1050 NH2 ARG A 66 0.061 -8.701 -14.126 1.00 0.00 N ATOM 0 H ARG A 66 4.108 -4.386 -10.471 1.00 0.00 H new ATOM 0 HA ARG A 66 1.412 -4.755 -11.544 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.907 -5.754 -9.102 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.161 -5.873 -9.197 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.417 -6.792 -11.688 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.044 -7.670 -10.307 1.00 0.00 H new ATOM 0 HD2 ARG A 66 0.989 -8.643 -9.803 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.069 -7.269 -10.382 1.00 0.00 H new ATOM 0 HE ARG A 66 0.963 -9.582 -11.965 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.012 -6.173 -12.093 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -0.506 -6.254 -13.787 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.321 -9.687 -14.155 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -0.317 -8.249 -14.958 1.00 0.00 H new ATOM 1064 N VAL A 67 2.259 -2.404 -9.608 1.00 0.00 N ATOM 1065 CA VAL A 67 1.824 -1.243 -8.850 1.00 0.00 C ATOM 1066 C VAL A 67 1.499 -0.102 -9.817 1.00 0.00 C ATOM 1067 O VAL A 67 2.089 -0.008 -10.892 1.00 0.00 O ATOM 1068 CB VAL A 67 2.885 -0.866 -7.815 1.00 0.00 C ATOM 1069 CG1 VAL A 67 3.556 -2.114 -7.237 1.00 0.00 C ATOM 1070 CG2 VAL A 67 3.922 0.087 -8.414 1.00 0.00 C ATOM 0 H VAL A 67 3.231 -2.373 -9.915 1.00 0.00 H new ATOM 0 HA VAL A 67 0.914 -1.468 -8.294 1.00 0.00 H new ATOM 0 HB VAL A 67 2.385 -0.346 -6.998 1.00 0.00 H new ATOM 0 HG11 VAL A 67 4.306 -1.817 -6.504 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.805 -2.741 -6.755 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.035 -2.674 -8.040 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.665 0.339 -7.657 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.414 -0.395 -9.259 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.427 0.997 -8.754 1.00 0.00 H new ATOM 1080 N PHE A 68 0.562 0.736 -9.399 1.00 0.00 N ATOM 1081 CA PHE A 68 0.152 1.867 -10.214 1.00 0.00 C ATOM 1082 C PHE A 68 0.512 3.191 -9.536 1.00 0.00 C ATOM 1083 O PHE A 68 0.500 3.288 -8.310 1.00 0.00 O ATOM 1084 CB PHE A 68 -1.368 1.782 -10.364 1.00 0.00 C ATOM 1085 CG PHE A 68 -1.832 1.341 -11.753 1.00 0.00 C ATOM 1086 CD1 PHE A 68 -1.960 0.017 -12.039 1.00 0.00 C ATOM 1087 CD2 PHE A 68 -2.116 2.271 -12.704 1.00 0.00 C ATOM 1088 CE1 PHE A 68 -2.391 -0.393 -13.328 1.00 0.00 C ATOM 1089 CE2 PHE A 68 -2.546 1.861 -13.993 1.00 0.00 C ATOM 1090 CZ PHE A 68 -2.675 0.538 -14.278 1.00 0.00 C ATOM 0 H PHE A 68 0.075 0.654 -8.507 1.00 0.00 H new ATOM 0 HA PHE A 68 0.659 1.834 -11.178 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.757 1.084 -9.623 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.800 2.757 -10.140 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.734 -0.722 -11.285 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.014 3.322 -12.478 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.493 -1.444 -13.554 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.771 2.600 -14.748 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.003 0.226 -15.259 1.00 0.00 H new ATOM 1100 N PRO A 69 0.833 4.203 -10.386 1.00 0.00 N ATOM 1101 CA PRO A 69 1.196 5.517 -9.882 1.00 0.00 C ATOM 1102 C PRO A 69 -0.038 6.275 -9.388 1.00 0.00 C ATOM 1103 O PRO A 69 -1.007 6.441 -10.129 1.00 0.00 O ATOM 1104 CB PRO A 69 1.891 6.206 -11.044 1.00 0.00 C ATOM 1105 CG PRO A 69 1.481 5.437 -12.290 1.00 0.00 C ATOM 1106 CD PRO A 69 0.858 4.125 -11.843 1.00 0.00 C ATOM 0 HA PRO A 69 1.854 5.468 -9.015 1.00 0.00 H new ATOM 0 HB2 PRO A 69 1.591 7.252 -11.114 1.00 0.00 H new ATOM 0 HB3 PRO A 69 2.973 6.193 -10.915 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.770 6.016 -12.879 1.00 0.00 H new ATOM 0 HG3 PRO A 69 2.346 5.252 -12.926 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.146 4.005 -12.250 1.00 0.00 H new ATOM 0 HD3 PRO A 69 1.445 3.272 -12.184 1.00 0.00 H new ATOM 1114 N TYR A 70 0.037 6.715 -8.141 1.00 0.00 N ATOM 1115 CA TYR A 70 -1.062 7.452 -7.540 1.00 0.00 C ATOM 1116 C TYR A 70 -0.945 8.948 -7.835 1.00 0.00 C ATOM 1117 O TYR A 70 0.085 9.561 -7.559 1.00 0.00 O ATOM 1118 CB TYR A 70 -0.942 7.231 -6.031 1.00 0.00 C ATOM 1119 CG TYR A 70 -1.863 8.123 -5.196 1.00 0.00 C ATOM 1120 CD1 TYR A 70 -1.553 9.456 -5.014 1.00 0.00 C ATOM 1121 CD2 TYR A 70 -3.004 7.596 -4.626 1.00 0.00 C ATOM 1122 CE1 TYR A 70 -2.420 10.296 -4.228 1.00 0.00 C ATOM 1123 CE2 TYR A 70 -3.871 8.436 -3.840 1.00 0.00 C ATOM 1124 CZ TYR A 70 -3.536 9.744 -3.681 1.00 0.00 C ATOM 1125 OH TYR A 70 -4.355 10.538 -2.939 1.00 0.00 O ATOM 0 H TYR A 70 0.842 6.575 -7.530 1.00 0.00 H new ATOM 0 HA TYR A 70 -2.017 7.110 -7.938 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -1.164 6.187 -5.808 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.090 7.409 -5.729 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.661 9.869 -5.461 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -3.247 6.553 -4.769 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -2.189 11.340 -4.077 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -4.766 8.036 -3.388 1.00 0.00 H new ATOM 0 HH TYR A 70 -5.113 10.011 -2.612 1.00 0.00 H new ATOM 1135 N VAL A 71 -2.016 9.495 -8.392 1.00 0.00 N ATOM 1136 CA VAL A 71 -2.047 10.908 -8.727 1.00 0.00 C ATOM 1137 C VAL A 71 -2.711 11.684 -7.588 1.00 0.00 C ATOM 1138 O VAL A 71 -3.165 11.091 -6.611 1.00 0.00 O ATOM 1139 CB VAL A 71 -2.743 11.111 -10.075 1.00 0.00 C ATOM 1140 CG1 VAL A 71 -1.862 10.621 -11.226 1.00 0.00 C ATOM 1141 CG2 VAL A 71 -4.108 10.421 -10.096 1.00 0.00 C ATOM 0 H VAL A 71 -2.869 8.984 -8.620 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.035 11.297 -8.837 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.906 12.180 -10.211 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.380 10.777 -12.172 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.925 11.178 -11.229 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.653 9.559 -11.097 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.581 10.581 -11.065 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.978 9.352 -9.927 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -4.739 10.838 -9.311 1.00 0.00 H new ATOM 1151 N GLU A 72 -2.748 12.998 -7.753 1.00 0.00 N ATOM 1152 CA GLU A 72 -3.349 13.861 -6.751 1.00 0.00 C ATOM 1153 C GLU A 72 -4.504 14.658 -7.361 1.00 0.00 C ATOM 1154 O GLU A 72 -4.413 15.120 -8.497 1.00 0.00 O ATOM 1155 CB GLU A 72 -2.306 14.794 -6.132 1.00 0.00 C ATOM 1156 CG GLU A 72 -2.536 14.954 -4.628 1.00 0.00 C ATOM 1157 CD GLU A 72 -3.875 15.640 -4.348 1.00 0.00 C ATOM 1158 OE1 GLU A 72 -4.112 16.697 -4.971 1.00 0.00 O ATOM 1159 OE2 GLU A 72 -4.631 15.091 -3.518 1.00 0.00 O ATOM 0 H GLU A 72 -2.371 13.486 -8.566 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.747 13.235 -5.952 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.307 14.397 -6.310 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.353 15.769 -6.616 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.517 13.976 -4.147 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.726 15.539 -4.193 1.00 0.00 H new ATOM 1367 N THR A 87 -11.329 0.072 7.283 1.00 0.00 N ATOM 1368 CA THR A 87 -9.879 0.165 7.237 1.00 0.00 C ATOM 1369 C THR A 87 -9.431 0.880 5.961 1.00 0.00 C ATOM 1370 O THR A 87 -8.553 1.740 6.003 1.00 0.00 O ATOM 1371 CB THR A 87 -9.310 -1.249 7.373 1.00 0.00 C ATOM 1372 OG1 THR A 87 -9.328 -1.496 8.777 1.00 0.00 O ATOM 1373 CG2 THR A 87 -7.828 -1.322 7.000 1.00 0.00 C ATOM 0 HA THR A 87 -9.495 0.766 8.061 1.00 0.00 H new ATOM 0 HB THR A 87 -9.877 -1.931 6.740 1.00 0.00 H new ATOM 0 HG1 THR A 87 -10.102 -1.048 9.178 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.474 -2.347 7.114 1.00 0.00 H new ATOM 0 HG22 THR A 87 -7.697 -1.006 5.965 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.255 -0.665 7.655 1.00 0.00 H new ATOM 1381 N PHE A 88 -10.055 0.497 4.856 1.00 0.00 N ATOM 1382 CA PHE A 88 -9.732 1.091 3.570 1.00 0.00 C ATOM 1383 C PHE A 88 -9.675 2.617 3.670 1.00 0.00 C ATOM 1384 O PHE A 88 -8.649 3.225 3.369 1.00 0.00 O ATOM 1385 CB PHE A 88 -10.848 0.696 2.602 1.00 0.00 C ATOM 1386 CG PHE A 88 -10.513 0.947 1.130 1.00 0.00 C ATOM 1387 CD1 PHE A 88 -9.441 0.331 0.562 1.00 0.00 C ATOM 1388 CD2 PHE A 88 -11.285 1.786 0.390 1.00 0.00 C ATOM 1389 CE1 PHE A 88 -9.130 0.563 -0.804 1.00 0.00 C ATOM 1390 CE2 PHE A 88 -10.974 2.019 -0.976 1.00 0.00 C ATOM 1391 CZ PHE A 88 -9.903 1.402 -1.544 1.00 0.00 C ATOM 0 H PHE A 88 -10.782 -0.217 4.825 1.00 0.00 H new ATOM 0 HA PHE A 88 -8.757 0.739 3.232 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.075 -0.362 2.737 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.751 1.251 2.858 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -8.827 -0.335 1.150 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -12.135 2.276 0.841 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -8.280 0.073 -1.255 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -11.588 2.686 -1.564 1.00 0.00 H new ATOM 0 HZ PHE A 88 -9.667 1.579 -2.583 1.00 0.00 H new ATOM 1401 N LYS A 89 -10.791 3.192 4.092 1.00 0.00 N ATOM 1402 CA LYS A 89 -10.882 4.635 4.235 1.00 0.00 C ATOM 1403 C LYS A 89 -9.632 5.152 4.950 1.00 0.00 C ATOM 1404 O LYS A 89 -9.030 6.136 4.522 1.00 0.00 O ATOM 1405 CB LYS A 89 -12.191 5.025 4.925 1.00 0.00 C ATOM 1406 CG LYS A 89 -13.067 5.872 4.000 1.00 0.00 C ATOM 1407 CD LYS A 89 -14.232 5.051 3.445 1.00 0.00 C ATOM 1408 CE LYS A 89 -13.825 4.316 2.166 1.00 0.00 C ATOM 1409 NZ LYS A 89 -14.139 2.874 2.274 1.00 0.00 N ATOM 0 H LYS A 89 -11.640 2.685 4.340 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.911 5.113 3.256 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.732 4.126 5.222 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -11.974 5.582 5.837 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -13.452 6.733 4.546 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -12.466 6.259 3.177 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -14.563 4.331 4.193 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -15.078 5.707 3.238 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -14.348 4.745 1.311 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -12.758 4.449 1.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -14.016 2.421 1.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -13.499 2.430 2.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -15.123 2.756 2.589 1.00 0.00 H new ATOM 1423 N LYS A 90 -9.279 4.466 6.026 1.00 0.00 N ATOM 1424 CA LYS A 90 -8.111 4.843 6.805 1.00 0.00 C ATOM 1425 C LYS A 90 -6.865 4.760 5.921 1.00 0.00 C ATOM 1426 O LYS A 90 -6.008 5.641 5.966 1.00 0.00 O ATOM 1427 CB LYS A 90 -8.020 3.998 8.078 1.00 0.00 C ATOM 1428 CG LYS A 90 -6.740 4.313 8.854 1.00 0.00 C ATOM 1429 CD LYS A 90 -6.954 4.139 10.359 1.00 0.00 C ATOM 1430 CE LYS A 90 -5.623 4.193 11.112 1.00 0.00 C ATOM 1431 NZ LYS A 90 -5.852 4.133 12.573 1.00 0.00 N ATOM 0 H LYS A 90 -9.781 3.651 6.378 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.195 5.876 7.142 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.888 4.189 8.709 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.041 2.940 7.819 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -5.937 3.657 8.519 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -6.425 5.335 8.644 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -7.617 4.921 10.729 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -7.447 3.186 10.552 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -4.989 3.362 10.803 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -5.092 5.110 10.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -4.939 4.171 13.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -6.439 4.940 12.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -6.339 3.246 12.812 1.00 0.00 H new ATOM 1445 N ALA A 91 -6.805 3.692 5.138 1.00 0.00 N ATOM 1446 CA ALA A 91 -5.678 3.483 4.246 1.00 0.00 C ATOM 1447 C ALA A 91 -5.691 4.554 3.154 1.00 0.00 C ATOM 1448 O ALA A 91 -4.641 5.064 2.767 1.00 0.00 O ATOM 1449 CB ALA A 91 -5.737 2.065 3.672 1.00 0.00 C ATOM 0 H ALA A 91 -7.518 2.963 5.103 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.737 3.577 4.789 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -4.891 1.908 3.003 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.695 1.341 4.486 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -6.667 1.935 3.118 1.00 0.00 H new ATOM 1455 N LEU A 92 -6.892 4.864 2.688 1.00 0.00 N ATOM 1456 CA LEU A 92 -7.056 5.866 1.648 1.00 0.00 C ATOM 1457 C LEU A 92 -6.495 7.202 2.140 1.00 0.00 C ATOM 1458 O LEU A 92 -5.613 7.779 1.507 1.00 0.00 O ATOM 1459 CB LEU A 92 -8.518 5.940 1.202 1.00 0.00 C ATOM 1460 CG LEU A 92 -9.087 4.676 0.556 1.00 0.00 C ATOM 1461 CD1 LEU A 92 -10.611 4.632 0.685 1.00 0.00 C ATOM 1462 CD2 LEU A 92 -8.632 4.551 -0.900 1.00 0.00 C ATOM 0 H LEU A 92 -7.761 4.439 3.011 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.489 5.589 0.759 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -9.130 6.188 2.070 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -8.620 6.763 0.495 1.00 0.00 H new ATOM 0 HG LEU A 92 -8.693 3.813 1.092 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.990 3.723 0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -10.887 4.640 1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -11.043 5.502 0.190 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -9.051 3.644 -1.335 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.977 5.417 -1.465 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -7.544 4.503 -0.938 1.00 0.00 H new ATOM 1474 N GLU A 93 -7.029 7.653 3.265 1.00 0.00 N ATOM 1475 CA GLU A 93 -6.592 8.910 3.850 1.00 0.00 C ATOM 1476 C GLU A 93 -5.073 8.910 4.035 1.00 0.00 C ATOM 1477 O GLU A 93 -4.387 9.818 3.569 1.00 0.00 O ATOM 1478 CB GLU A 93 -7.307 9.176 5.176 1.00 0.00 C ATOM 1479 CG GLU A 93 -8.823 9.234 4.980 1.00 0.00 C ATOM 1480 CD GLU A 93 -9.466 10.210 5.967 1.00 0.00 C ATOM 1481 OE1 GLU A 93 -9.597 9.820 7.147 1.00 0.00 O ATOM 1482 OE2 GLU A 93 -9.813 11.324 5.519 1.00 0.00 O ATOM 0 H GLU A 93 -7.760 7.171 3.787 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.855 9.717 3.166 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.059 8.391 5.891 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -6.955 10.116 5.600 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.050 9.541 3.959 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -9.249 8.240 5.116 1.00 0.00 H new ATOM 1489 N GLU A 94 -4.593 7.880 4.717 1.00 0.00 N ATOM 1490 CA GLU A 94 -3.168 7.749 4.970 1.00 0.00 C ATOM 1491 C GLU A 94 -2.381 7.902 3.667 1.00 0.00 C ATOM 1492 O GLU A 94 -1.488 8.742 3.572 1.00 0.00 O ATOM 1493 CB GLU A 94 -2.852 6.415 5.648 1.00 0.00 C ATOM 1494 CG GLU A 94 -2.832 6.565 7.171 1.00 0.00 C ATOM 1495 CD GLU A 94 -1.501 6.084 7.752 1.00 0.00 C ATOM 1496 OE1 GLU A 94 -0.480 6.261 7.054 1.00 0.00 O ATOM 1497 OE2 GLU A 94 -1.536 5.549 8.882 1.00 0.00 O ATOM 0 H GLU A 94 -5.165 7.129 5.102 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.865 8.545 5.650 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -3.597 5.672 5.362 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.886 6.047 5.302 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.994 7.609 7.439 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.651 5.993 7.607 1.00 0.00 H new ATOM 1504 N ALA A 95 -2.741 7.076 2.695 1.00 0.00 N ATOM 1505 CA ALA A 95 -2.080 7.109 1.402 1.00 0.00 C ATOM 1506 C ALA A 95 -1.951 8.561 0.936 1.00 0.00 C ATOM 1507 O ALA A 95 -0.894 8.972 0.460 1.00 0.00 O ATOM 1508 CB ALA A 95 -2.859 6.245 0.408 1.00 0.00 C ATOM 0 H ALA A 95 -3.482 6.380 2.778 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.074 6.696 1.475 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.363 6.270 -0.562 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.896 5.218 0.770 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.873 6.631 0.307 1.00 0.00 H new ATOM 1514 N ALA A 96 -3.041 9.297 1.091 1.00 0.00 N ATOM 1515 CA ALA A 96 -3.063 10.694 0.692 1.00 0.00 C ATOM 1516 C ALA A 96 -2.029 11.470 1.511 1.00 0.00 C ATOM 1517 O ALA A 96 -1.119 12.079 0.951 1.00 0.00 O ATOM 1518 CB ALA A 96 -4.478 11.252 0.862 1.00 0.00 C ATOM 0 H ALA A 96 -3.915 8.953 1.487 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.796 10.797 -0.360 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -4.494 12.300 0.563 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.170 10.686 0.238 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.779 11.168 1.906 1.00 0.00 H new ATOM 1524 N LYS A 97 -2.204 11.422 2.823 1.00 0.00 N ATOM 1525 CA LYS A 97 -1.297 12.113 3.725 1.00 0.00 C ATOM 1526 C LYS A 97 0.138 11.950 3.221 1.00 0.00 C ATOM 1527 O LYS A 97 0.782 12.927 2.842 1.00 0.00 O ATOM 1528 CB LYS A 97 -1.502 11.633 5.163 1.00 0.00 C ATOM 1529 CG LYS A 97 -1.693 12.816 6.114 1.00 0.00 C ATOM 1530 CD LYS A 97 -3.103 12.819 6.709 1.00 0.00 C ATOM 1531 CE LYS A 97 -3.241 13.898 7.786 1.00 0.00 C ATOM 1532 NZ LYS A 97 -4.209 13.474 8.822 1.00 0.00 N ATOM 0 H LYS A 97 -2.960 10.916 3.284 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.512 13.182 3.737 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.373 10.979 5.211 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.642 11.043 5.479 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.956 12.765 6.916 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.518 13.749 5.579 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.834 12.992 5.920 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.323 11.841 7.138 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.270 14.090 8.243 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.570 14.833 7.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.291 14.217 9.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -5.138 13.313 8.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.879 12.594 9.266 1.00 0.00 H new ATOM 1546 N ARG A 98 0.598 10.707 3.232 1.00 0.00 N ATOM 1547 CA ARG A 98 1.945 10.404 2.781 1.00 0.00 C ATOM 1548 C ARG A 98 2.288 11.230 1.540 1.00 0.00 C ATOM 1549 O ARG A 98 3.210 12.043 1.566 1.00 0.00 O ATOM 1550 CB ARG A 98 2.095 8.917 2.453 1.00 0.00 C ATOM 1551 CG ARG A 98 1.942 8.060 3.712 1.00 0.00 C ATOM 1552 CD ARG A 98 3.161 8.206 4.625 1.00 0.00 C ATOM 1553 NE ARG A 98 3.061 7.258 5.757 1.00 0.00 N ATOM 1554 CZ ARG A 98 3.911 7.233 6.793 1.00 0.00 C ATOM 1555 NH1 ARG A 98 4.928 8.103 6.847 1.00 0.00 N ATOM 1556 NH2 ARG A 98 3.743 6.338 7.776 1.00 0.00 N ATOM 0 H ARG A 98 0.061 9.898 3.546 1.00 0.00 H new ATOM 0 HA ARG A 98 2.630 10.657 3.590 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.346 8.626 1.717 1.00 0.00 H new ATOM 0 HB3 ARG A 98 3.071 8.737 2.002 1.00 0.00 H new ATOM 0 HG2 ARG A 98 1.042 8.356 4.251 1.00 0.00 H new ATOM 0 HG3 ARG A 98 1.816 7.014 3.432 1.00 0.00 H new ATOM 0 HD2 ARG A 98 4.074 8.016 4.060 1.00 0.00 H new ATOM 0 HD3 ARG A 98 3.225 9.228 5.000 1.00 0.00 H new ATOM 0 HE ARG A 98 2.298 6.582 5.748 1.00 0.00 H new ATOM 0 HH11 ARG A 98 5.056 8.785 6.099 1.00 0.00 H new ATOM 0 HH12 ARG A 98 5.575 8.083 7.636 1.00 0.00 H new ATOM 0 HH21 ARG A 98 2.968 5.676 7.736 1.00 0.00 H new ATOM 0 HH22 ARG A 98 4.390 6.319 8.564 1.00 0.00 H new ATOM 1570 N PHE A 99 1.527 10.992 0.481 1.00 0.00 N ATOM 1571 CA PHE A 99 1.739 11.703 -0.768 1.00 0.00 C ATOM 1572 C PHE A 99 1.946 13.199 -0.518 1.00 0.00 C ATOM 1573 O PHE A 99 2.740 13.842 -1.203 1.00 0.00 O ATOM 1574 CB PHE A 99 0.479 11.509 -1.613 1.00 0.00 C ATOM 1575 CG PHE A 99 0.592 12.061 -3.035 1.00 0.00 C ATOM 1576 CD1 PHE A 99 0.241 13.349 -3.294 1.00 0.00 C ATOM 1577 CD2 PHE A 99 1.042 11.263 -4.040 1.00 0.00 C ATOM 1578 CE1 PHE A 99 0.346 13.861 -4.615 1.00 0.00 C ATOM 1579 CE2 PHE A 99 1.147 11.775 -5.360 1.00 0.00 C ATOM 1580 CZ PHE A 99 0.797 13.064 -5.620 1.00 0.00 C ATOM 0 H PHE A 99 0.763 10.317 0.463 1.00 0.00 H new ATOM 0 HA PHE A 99 2.627 11.319 -1.269 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.249 10.445 -1.665 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.360 11.992 -1.112 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.117 13.982 -2.496 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.319 10.240 -3.834 1.00 0.00 H new ATOM 0 HE1 PHE A 99 0.067 14.884 -4.821 1.00 0.00 H new ATOM 0 HE2 PHE A 99 1.505 11.141 -6.158 1.00 0.00 H new ATOM 0 HZ PHE A 99 0.877 13.454 -6.624 1.00 0.00 H new ATOM 1590 N GLN A 100 1.217 13.709 0.464 1.00 0.00 N ATOM 1591 CA GLN A 100 1.311 15.116 0.812 1.00 0.00 C ATOM 1592 C GLN A 100 2.569 15.375 1.643 1.00 0.00 C ATOM 1593 O GLN A 100 3.168 16.445 1.552 1.00 0.00 O ATOM 1594 CB GLN A 100 0.057 15.582 1.555 1.00 0.00 C ATOM 1595 CG GLN A 100 -1.209 15.052 0.879 1.00 0.00 C ATOM 1596 CD GLN A 100 -2.093 16.203 0.392 1.00 0.00 C ATOM 1597 OE1 GLN A 100 -1.630 17.176 -0.180 1.00 0.00 O ATOM 1598 NE2 GLN A 100 -3.387 16.038 0.650 1.00 0.00 N ATOM 0 H GLN A 100 0.559 13.173 1.029 1.00 0.00 H new ATOM 0 HA GLN A 100 1.383 15.694 -0.109 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.093 15.238 2.589 1.00 0.00 H new ATOM 0 HB3 GLN A 100 0.030 16.671 1.583 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -0.937 14.416 0.037 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.767 14.431 1.580 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -3.708 15.199 1.133 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -4.059 16.751 0.365 1.00 0.00 H new ATOM 1607 N GLU A 101 2.932 14.377 2.435 1.00 0.00 N ATOM 1608 CA GLU A 101 4.108 14.483 3.282 1.00 0.00 C ATOM 1609 C GLU A 101 5.380 14.392 2.437 1.00 0.00 C ATOM 1610 O GLU A 101 6.235 15.275 2.499 1.00 0.00 O ATOM 1611 CB GLU A 101 4.096 13.410 4.373 1.00 0.00 C ATOM 1612 CG GLU A 101 2.694 13.241 4.960 1.00 0.00 C ATOM 1613 CD GLU A 101 2.760 12.943 6.460 1.00 0.00 C ATOM 1614 OE1 GLU A 101 3.029 13.900 7.217 1.00 0.00 O ATOM 1615 OE2 GLU A 101 2.540 11.764 6.814 1.00 0.00 O ATOM 0 H GLU A 101 2.432 13.491 2.508 1.00 0.00 H new ATOM 0 HA GLU A 101 4.091 15.455 3.775 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.437 12.461 3.959 1.00 0.00 H new ATOM 0 HB3 GLU A 101 4.795 13.683 5.164 1.00 0.00 H new ATOM 0 HG2 GLU A 101 2.113 14.148 4.791 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.176 12.431 4.447 1.00 0.00 H new ATOM 1622 N LEU A 102 5.466 13.317 1.667 1.00 0.00 N ATOM 1623 CA LEU A 102 6.620 13.100 0.811 1.00 0.00 C ATOM 1624 C LEU A 102 7.001 14.417 0.133 1.00 0.00 C ATOM 1625 O LEU A 102 8.111 14.916 0.317 1.00 0.00 O ATOM 1626 CB LEU A 102 6.350 11.958 -0.171 1.00 0.00 C ATOM 1627 CG LEU A 102 6.838 10.574 0.260 1.00 0.00 C ATOM 1628 CD1 LEU A 102 6.330 10.225 1.660 1.00 0.00 C ATOM 1629 CD2 LEU A 102 6.453 9.511 -0.771 1.00 0.00 C ATOM 0 H LEU A 102 4.755 12.587 1.618 1.00 0.00 H new ATOM 0 HA LEU A 102 7.480 12.785 1.402 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.276 11.904 -0.348 1.00 0.00 H new ATOM 0 HB3 LEU A 102 6.818 12.206 -1.124 1.00 0.00 H new ATOM 0 HG LEU A 102 7.927 10.596 0.309 1.00 0.00 H new ATOM 0 HD11 LEU A 102 6.691 9.236 1.942 1.00 0.00 H new ATOM 0 HD12 LEU A 102 6.696 10.962 2.374 1.00 0.00 H new ATOM 0 HD13 LEU A 102 5.240 10.227 1.663 1.00 0.00 H new ATOM 0 HD21 LEU A 102 6.812 8.536 -0.440 1.00 0.00 H new ATOM 0 HD22 LEU A 102 5.368 9.482 -0.876 1.00 0.00 H new ATOM 0 HD23 LEU A 102 6.904 9.756 -1.732 1.00 0.00 H new ATOM 1641 N LYS A 103 6.060 14.944 -0.637 1.00 0.00 N ATOM 1642 CA LYS A 103 6.284 16.194 -1.343 1.00 0.00 C ATOM 1643 C LYS A 103 6.606 17.296 -0.332 1.00 0.00 C ATOM 1644 O LYS A 103 7.592 18.015 -0.484 1.00 0.00 O ATOM 1645 CB LYS A 103 5.094 16.519 -2.248 1.00 0.00 C ATOM 1646 CG LYS A 103 3.810 16.675 -1.431 1.00 0.00 C ATOM 1647 CD LYS A 103 2.575 16.611 -2.332 1.00 0.00 C ATOM 1648 CE LYS A 103 1.675 17.829 -2.116 1.00 0.00 C ATOM 1649 NZ LYS A 103 2.290 19.039 -2.705 1.00 0.00 N ATOM 0 H LYS A 103 5.141 14.528 -0.787 1.00 0.00 H new ATOM 0 HA LYS A 103 7.145 16.107 -2.006 1.00 0.00 H new ATOM 0 HB2 LYS A 103 5.292 17.438 -2.799 1.00 0.00 H new ATOM 0 HB3 LYS A 103 4.966 15.726 -2.985 1.00 0.00 H new ATOM 0 HG2 LYS A 103 3.756 15.889 -0.678 1.00 0.00 H new ATOM 0 HG3 LYS A 103 3.827 17.626 -0.898 1.00 0.00 H new ATOM 0 HD2 LYS A 103 2.884 16.564 -3.376 1.00 0.00 H new ATOM 0 HD3 LYS A 103 2.015 15.699 -2.124 1.00 0.00 H new ATOM 0 HE2 LYS A 103 0.699 17.653 -2.569 1.00 0.00 H new ATOM 0 HE3 LYS A 103 1.508 17.981 -1.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 1.666 19.856 -2.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 3.210 19.215 -2.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 2.426 18.897 -3.726 1.00 0.00 H new