USER MOD reduce.3.24.130724 H: found=0, std=0, add=298, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 297 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 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= -4.21! C(o=-4.2!,f=-11!) USER MOD Single : A 19 SER OG : rot -4:sc= 0.775! USER MOD Single : A 20 GLN : amide:sc= -1.5 K(o=-1.5,f=-5.1!) USER MOD Single : A 27 GLN : amide:sc=-0.00341 X(o=-0.0034,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= -1.33 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.0968 X(o=-0.097,f=-0.0059) USER MOD Single : A 69 THR OG1 : rot 180:sc= -2.17! USER MOD Single : A 71 MET CE :methyl 167:sc= -5.49! (180deg=-5.98!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -8.09! C(o=-8.1!,f=-20!) USER MOD Single : A 79 HIS : no HE2:sc= -25.4! C(o=-25!,f=-27!) USER MOD Single : A 80 THR OG1 : rot -50:sc= -3.52! USER MOD Single : A 83 HIS : no HE2:sc= -9.77! C(o=-9.8!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 147 N LEU A 12 -7.847 5.654 -0.242 1.00 0.00 N ATOM 148 CA LEU A 12 -8.259 4.520 -1.056 1.00 0.00 C ATOM 149 C LEU A 12 -8.396 4.913 -2.519 1.00 0.00 C ATOM 150 O LEU A 12 -8.938 5.970 -2.841 1.00 0.00 O ATOM 151 CB LEU A 12 -9.585 3.959 -0.550 1.00 0.00 C ATOM 152 CG LEU A 12 -9.465 2.819 0.461 1.00 0.00 C ATOM 153 CD1 LEU A 12 -8.268 3.027 1.366 1.00 0.00 C ATOM 154 CD2 LEU A 12 -10.733 2.713 1.281 1.00 0.00 C ATOM 0 HA LEU A 12 -7.487 3.755 -0.975 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.154 4.769 -0.094 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.162 3.606 -1.405 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.321 1.887 -0.086 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.202 2.204 2.077 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.359 3.061 0.765 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.380 3.966 1.907 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.636 1.898 1.998 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.900 3.648 1.816 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.578 2.517 0.621 1.00 0.00 H new ATOM 166 N GLN A 13 -7.918 4.045 -3.403 1.00 0.00 N ATOM 167 CA GLN A 13 -8.008 4.295 -4.835 1.00 0.00 C ATOM 168 C GLN A 13 -9.278 3.703 -5.384 1.00 0.00 C ATOM 169 O GLN A 13 -9.285 3.073 -6.440 1.00 0.00 O ATOM 170 CB GLN A 13 -6.840 3.687 -5.577 1.00 0.00 C ATOM 171 CG GLN A 13 -5.511 3.848 -4.873 1.00 0.00 C ATOM 172 CD GLN A 13 -4.453 4.478 -5.759 1.00 0.00 C ATOM 173 OE1 GLN A 13 -3.549 3.799 -6.244 1.00 0.00 O ATOM 174 NE2 GLN A 13 -4.562 5.784 -5.975 1.00 0.00 N ATOM 0 H GLN A 13 -7.466 3.165 -3.154 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.998 5.376 -4.977 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.033 2.625 -5.729 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.774 4.143 -6.565 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.648 4.463 -3.983 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -5.162 2.872 -4.535 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.328 6.309 -5.553 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.880 6.262 -6.563 1.00 0.00 H new ATOM 183 N GLU A 14 -10.330 3.890 -4.628 1.00 0.00 N ATOM 184 CA GLU A 14 -11.645 3.359 -4.974 1.00 0.00 C ATOM 185 C GLU A 14 -11.626 2.755 -6.356 1.00 0.00 C ATOM 186 O GLU A 14 -11.354 3.423 -7.352 1.00 0.00 O ATOM 187 CB GLU A 14 -12.742 4.407 -4.889 1.00 0.00 C ATOM 188 CG GLU A 14 -14.111 3.822 -4.554 1.00 0.00 C ATOM 189 CD GLU A 14 -15.006 4.813 -3.834 1.00 0.00 C ATOM 190 OE1 GLU A 14 -14.798 5.028 -2.621 1.00 0.00 O ATOM 191 OE2 GLU A 14 -15.916 5.371 -4.482 1.00 0.00 O ATOM 0 H GLU A 14 -10.310 4.413 -3.753 1.00 0.00 H new ATOM 0 HA GLU A 14 -11.871 2.588 -4.238 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.474 5.143 -4.131 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -12.804 4.936 -5.840 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -14.599 3.498 -5.473 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -13.982 2.936 -3.932 1.00 0.00 H new ATOM 198 N ASN A 15 -11.894 1.478 -6.381 1.00 0.00 N ATOM 199 CA ASN A 15 -11.893 0.708 -7.600 1.00 0.00 C ATOM 200 C ASN A 15 -13.023 1.099 -8.534 1.00 0.00 C ATOM 201 O ASN A 15 -14.174 0.711 -8.335 1.00 0.00 O ATOM 202 CB ASN A 15 -11.974 -0.776 -7.278 1.00 0.00 C ATOM 203 CG ASN A 15 -10.854 -1.561 -7.919 1.00 0.00 C ATOM 204 OD1 ASN A 15 -10.995 -2.087 -9.023 1.00 0.00 O ATOM 205 ND2 ASN A 15 -9.731 -1.644 -7.225 1.00 0.00 N ATOM 0 H ASN A 15 -12.122 0.935 -5.548 1.00 0.00 H new ATOM 0 HA ASN A 15 -10.958 0.924 -8.117 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -11.940 -0.914 -6.197 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -12.932 -1.168 -7.619 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -8.936 -2.160 -7.601 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -9.660 -1.192 -6.314 1.00 0.00 H new ATOM 212 N PRO A 16 -12.692 1.826 -9.610 1.00 0.00 N ATOM 213 CA PRO A 16 -13.653 2.211 -10.621 1.00 0.00 C ATOM 214 C PRO A 16 -13.818 1.056 -11.589 1.00 0.00 C ATOM 215 O PRO A 16 -14.468 1.157 -12.629 1.00 0.00 O ATOM 216 CB PRO A 16 -13.010 3.425 -11.305 1.00 0.00 C ATOM 217 CG PRO A 16 -11.584 3.476 -10.832 1.00 0.00 C ATOM 218 CD PRO A 16 -11.341 2.265 -9.965 1.00 0.00 C ATOM 0 HA PRO A 16 -14.642 2.451 -10.230 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -13.056 3.328 -12.390 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -13.538 4.342 -11.044 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.900 3.481 -11.681 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.401 4.391 -10.269 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -10.794 1.490 -10.502 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.754 2.515 -9.081 1.00 0.00 H new ATOM 226 N PHE A 17 -13.190 -0.047 -11.201 1.00 0.00 N ATOM 227 CA PHE A 17 -13.191 -1.280 -11.957 1.00 0.00 C ATOM 228 C PHE A 17 -14.213 -2.252 -11.389 1.00 0.00 C ATOM 229 O PHE A 17 -15.178 -2.629 -12.054 1.00 0.00 O ATOM 230 CB PHE A 17 -11.798 -1.906 -11.871 1.00 0.00 C ATOM 231 CG PHE A 17 -11.497 -2.866 -12.976 1.00 0.00 C ATOM 232 CD1 PHE A 17 -12.497 -3.651 -13.522 1.00 0.00 C ATOM 233 CD2 PHE A 17 -10.210 -2.979 -13.470 1.00 0.00 C ATOM 234 CE1 PHE A 17 -12.216 -4.536 -14.547 1.00 0.00 C ATOM 235 CE2 PHE A 17 -9.921 -3.860 -14.494 1.00 0.00 C ATOM 236 CZ PHE A 17 -10.927 -4.640 -15.034 1.00 0.00 C ATOM 0 H PHE A 17 -12.657 -0.104 -10.333 1.00 0.00 H new ATOM 0 HA PHE A 17 -13.451 -1.067 -12.994 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -11.052 -1.111 -11.880 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -11.701 -2.424 -10.917 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -13.506 -3.572 -13.144 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -9.422 -2.371 -13.050 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -13.003 -5.145 -14.966 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -8.912 -3.939 -14.872 1.00 0.00 H new ATOM 0 HZ PHE A 17 -10.706 -5.330 -15.835 1.00 0.00 H new ATOM 246 N PHE A 18 -13.974 -2.656 -10.149 1.00 0.00 N ATOM 247 CA PHE A 18 -14.841 -3.594 -9.455 1.00 0.00 C ATOM 248 C PHE A 18 -16.174 -2.944 -9.107 1.00 0.00 C ATOM 249 O PHE A 18 -17.202 -3.618 -9.024 1.00 0.00 O ATOM 250 CB PHE A 18 -14.151 -4.090 -8.183 1.00 0.00 C ATOM 251 CG PHE A 18 -12.752 -4.604 -8.410 1.00 0.00 C ATOM 252 CD1 PHE A 18 -12.147 -4.499 -9.654 1.00 0.00 C ATOM 253 CD2 PHE A 18 -12.040 -5.194 -7.376 1.00 0.00 C ATOM 254 CE1 PHE A 18 -10.866 -4.969 -9.862 1.00 0.00 C ATOM 255 CE2 PHE A 18 -10.756 -5.667 -7.580 1.00 0.00 C ATOM 256 CZ PHE A 18 -10.169 -5.555 -8.825 1.00 0.00 C ATOM 0 H PHE A 18 -13.175 -2.343 -9.598 1.00 0.00 H new ATOM 0 HA PHE A 18 -15.036 -4.440 -10.114 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -14.116 -3.276 -7.459 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -14.752 -4.884 -7.741 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -12.686 -4.043 -10.471 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -12.493 -5.285 -6.400 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -10.409 -4.878 -10.836 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -10.213 -6.124 -6.766 1.00 0.00 H new ATOM 0 HZ PHE A 18 -9.167 -5.925 -8.987 1.00 0.00 H new ATOM 266 N SER A 19 -16.145 -1.631 -8.904 1.00 0.00 N ATOM 267 CA SER A 19 -17.342 -0.878 -8.566 1.00 0.00 C ATOM 268 C SER A 19 -18.581 -1.537 -9.154 1.00 0.00 C ATOM 269 O SER A 19 -18.725 -1.642 -10.372 1.00 0.00 O ATOM 270 CB SER A 19 -17.226 0.560 -9.068 1.00 0.00 C ATOM 271 OG SER A 19 -17.509 0.643 -10.453 1.00 0.00 O ATOM 0 H SER A 19 -15.299 -1.066 -8.969 1.00 0.00 H new ATOM 0 HA SER A 19 -17.439 -0.867 -7.480 1.00 0.00 H new ATOM 0 HB2 SER A 19 -17.915 1.198 -8.514 1.00 0.00 H new ATOM 0 HB3 SER A 19 -16.221 0.935 -8.876 1.00 0.00 H new ATOM 0 HG SER A 19 -17.659 -0.257 -10.811 1.00 0.00 H new ATOM 277 N GLN A 20 -19.468 -1.982 -8.278 1.00 0.00 N ATOM 278 CA GLN A 20 -20.698 -2.640 -8.702 1.00 0.00 C ATOM 279 C GLN A 20 -21.908 -1.745 -8.455 1.00 0.00 C ATOM 280 O GLN A 20 -21.776 -0.623 -7.965 1.00 0.00 O ATOM 281 CB GLN A 20 -20.875 -3.975 -7.970 1.00 0.00 C ATOM 282 CG GLN A 20 -19.564 -4.644 -7.584 1.00 0.00 C ATOM 283 CD GLN A 20 -19.597 -5.219 -6.181 1.00 0.00 C ATOM 284 OE1 GLN A 20 -20.423 -4.827 -5.356 1.00 0.00 O ATOM 285 NE2 GLN A 20 -18.697 -6.156 -5.901 1.00 0.00 N ATOM 0 H GLN A 20 -19.361 -1.900 -7.267 1.00 0.00 H new ATOM 0 HA GLN A 20 -20.623 -2.832 -9.772 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -21.466 -3.809 -7.069 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -21.445 -4.654 -8.605 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -19.343 -5.440 -8.295 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -18.754 -3.918 -7.657 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -18.030 -6.452 -6.614 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -18.673 -6.579 -4.973 1.00 0.00 H new ATOM 294 N PRO A 21 -23.107 -2.238 -8.799 1.00 0.00 N ATOM 295 CA PRO A 21 -24.358 -1.490 -8.623 1.00 0.00 C ATOM 296 C PRO A 21 -24.616 -1.130 -7.163 1.00 0.00 C ATOM 297 O PRO A 21 -25.610 -1.556 -6.574 1.00 0.00 O ATOM 298 CB PRO A 21 -25.436 -2.456 -9.133 1.00 0.00 C ATOM 299 CG PRO A 21 -24.708 -3.442 -9.983 1.00 0.00 C ATOM 300 CD PRO A 21 -23.335 -3.564 -9.390 1.00 0.00 C ATOM 0 HA PRO A 21 -24.338 -0.539 -9.155 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -25.945 -2.950 -8.306 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -26.198 -1.928 -9.707 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -25.218 -4.405 -9.988 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -24.658 -3.103 -11.018 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -23.289 -4.353 -8.639 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -22.588 -3.801 -10.148 1.00 0.00 H new ATOM 308 N GLY A 22 -23.714 -0.343 -6.584 1.00 0.00 N ATOM 309 CA GLY A 22 -23.863 0.063 -5.198 1.00 0.00 C ATOM 310 C GLY A 22 -22.663 -0.305 -4.348 1.00 0.00 C ATOM 311 O GLY A 22 -22.803 -0.592 -3.159 1.00 0.00 O ATOM 0 H GLY A 22 -22.883 0.021 -7.050 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -24.017 1.141 -5.154 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -24.755 -0.404 -4.781 1.00 0.00 H new ATOM 315 N ALA A 23 -21.480 -0.299 -4.953 1.00 0.00 N ATOM 316 CA ALA A 23 -20.260 -0.637 -4.234 1.00 0.00 C ATOM 317 C ALA A 23 -19.032 -0.257 -5.030 1.00 0.00 C ATOM 318 O ALA A 23 -18.729 -0.847 -6.064 1.00 0.00 O ATOM 319 CB ALA A 23 -20.251 -2.113 -3.891 1.00 0.00 C ATOM 0 H ALA A 23 -21.342 -0.065 -5.936 1.00 0.00 H new ATOM 0 HA ALA A 23 -20.237 -0.064 -3.307 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -19.334 -2.356 -3.353 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -21.112 -2.346 -3.264 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -20.300 -2.700 -4.808 1.00 0.00 H new ATOM 325 N PRO A 24 -18.331 0.767 -4.546 1.00 0.00 N ATOM 326 CA PRO A 24 -17.142 1.308 -5.163 1.00 0.00 C ATOM 327 C PRO A 24 -15.856 0.814 -4.517 1.00 0.00 C ATOM 328 O PRO A 24 -15.296 1.456 -3.631 1.00 0.00 O ATOM 329 CB PRO A 24 -17.342 2.802 -4.925 1.00 0.00 C ATOM 330 CG PRO A 24 -18.208 2.913 -3.699 1.00 0.00 C ATOM 331 CD PRO A 24 -18.660 1.525 -3.343 1.00 0.00 C ATOM 0 HA PRO A 24 -17.029 1.018 -6.208 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -16.387 3.305 -4.775 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -17.819 3.274 -5.784 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -17.651 3.359 -2.875 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -19.065 3.559 -3.891 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -18.139 1.141 -2.466 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -19.726 1.490 -3.120 1.00 0.00 H new ATOM 339 N ILE A 25 -15.411 -0.339 -4.980 1.00 0.00 N ATOM 340 CA ILE A 25 -14.210 -0.983 -4.506 1.00 0.00 C ATOM 341 C ILE A 25 -13.037 -0.030 -4.362 1.00 0.00 C ATOM 342 O ILE A 25 -13.199 1.181 -4.475 1.00 0.00 O ATOM 343 CB ILE A 25 -13.875 -2.135 -5.451 1.00 0.00 C ATOM 344 CG1 ILE A 25 -15.024 -3.109 -5.396 1.00 0.00 C ATOM 345 CG2 ILE A 25 -12.603 -2.818 -5.016 1.00 0.00 C ATOM 346 CD1 ILE A 25 -15.469 -3.310 -3.975 1.00 0.00 C ATOM 0 H ILE A 25 -15.889 -0.863 -5.713 1.00 0.00 H new ATOM 0 HA ILE A 25 -14.398 -1.360 -3.501 1.00 0.00 H new ATOM 0 HB ILE A 25 -13.727 -1.764 -6.465 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -15.855 -2.736 -5.995 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -14.722 -4.063 -5.828 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -12.378 -3.637 -5.699 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -11.783 -2.100 -5.027 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -12.728 -3.211 -4.007 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -16.299 -4.016 -3.950 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -14.640 -3.704 -3.386 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -15.791 -2.356 -3.556 1.00 0.00 H new ATOM 358 N LEU A 26 -11.867 -0.583 -4.032 1.00 0.00 N ATOM 359 CA LEU A 26 -10.689 0.226 -3.778 1.00 0.00 C ATOM 360 C LEU A 26 -9.395 -0.528 -3.928 1.00 0.00 C ATOM 361 O LEU A 26 -9.304 -1.553 -4.597 1.00 0.00 O ATOM 362 CB LEU A 26 -10.783 0.703 -2.352 1.00 0.00 C ATOM 363 CG LEU A 26 -12.156 0.493 -1.757 1.00 0.00 C ATOM 364 CD1 LEU A 26 -12.067 0.130 -0.299 1.00 0.00 C ATOM 365 CD2 LEU A 26 -13.030 1.717 -1.954 1.00 0.00 C ATOM 0 H LEU A 26 -11.718 -1.588 -3.936 1.00 0.00 H new ATOM 0 HA LEU A 26 -10.673 1.034 -4.510 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -10.045 0.176 -1.747 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -10.531 1.763 -2.310 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.619 -0.341 -2.284 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -13.070 -0.015 0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.495 -0.791 -0.188 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.571 0.933 0.246 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -14.012 1.537 -1.516 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -12.568 2.576 -1.468 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -13.139 1.918 -3.020 1.00 0.00 H new ATOM 377 N GLN A 27 -8.404 0.021 -3.258 1.00 0.00 N ATOM 378 CA GLN A 27 -7.063 -0.541 -3.235 1.00 0.00 C ATOM 379 C GLN A 27 -6.057 0.461 -2.674 1.00 0.00 C ATOM 380 O GLN A 27 -4.975 0.660 -3.225 1.00 0.00 O ATOM 381 CB GLN A 27 -6.655 -1.007 -4.633 1.00 0.00 C ATOM 382 CG GLN A 27 -5.264 -1.615 -4.695 1.00 0.00 C ATOM 383 CD GLN A 27 -5.271 -3.019 -5.268 1.00 0.00 C ATOM 384 OE1 GLN A 27 -4.876 -3.976 -4.601 1.00 0.00 O ATOM 385 NE2 GLN A 27 -5.721 -3.150 -6.512 1.00 0.00 N ATOM 0 H GLN A 27 -8.503 0.875 -2.709 1.00 0.00 H new ATOM 0 HA GLN A 27 -7.067 -1.408 -2.574 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -7.379 -1.742 -4.987 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -6.702 -0.159 -5.316 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -4.620 -0.980 -5.304 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -4.835 -1.637 -3.693 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.039 -2.330 -7.028 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.749 -4.071 -6.950 1.00 0.00 H new ATOM 394 N CYS A 28 -6.439 1.064 -1.555 1.00 0.00 N ATOM 395 CA CYS A 28 -5.610 2.040 -0.845 1.00 0.00 C ATOM 396 C CYS A 28 -4.977 3.074 -1.777 1.00 0.00 C ATOM 397 O CYS A 28 -4.244 2.737 -2.705 1.00 0.00 O ATOM 398 CB CYS A 28 -4.521 1.330 -0.036 1.00 0.00 C ATOM 399 SG CYS A 28 -4.077 2.178 1.520 1.00 0.00 S ATOM 0 H CYS A 28 -7.339 0.891 -1.108 1.00 0.00 H new ATOM 0 HA CYS A 28 -6.275 2.580 -0.171 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -4.856 0.319 0.196 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -3.628 1.235 -0.654 1.00 0.00 H new ATOM 892 N VAL A 61 -1.657 -1.945 4.371 1.00 0.00 N ATOM 893 CA VAL A 61 -2.509 -3.103 4.142 1.00 0.00 C ATOM 894 C VAL A 61 -3.918 -2.874 4.671 1.00 0.00 C ATOM 895 O VAL A 61 -4.429 -3.672 5.455 1.00 0.00 O ATOM 896 CB VAL A 61 -1.931 -4.366 4.804 1.00 0.00 C ATOM 897 CG1 VAL A 61 -2.003 -4.250 6.318 1.00 0.00 C ATOM 898 CG2 VAL A 61 -2.668 -5.606 4.321 1.00 0.00 C ATOM 0 HA VAL A 61 -2.550 -3.247 3.062 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.884 -4.461 4.518 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.590 -5.151 6.772 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.428 -3.383 6.644 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.042 -4.132 6.625 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.246 -6.490 4.800 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.724 -5.524 4.577 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.563 -5.694 3.240 1.00 0.00 H new ATOM 908 N ALA A 62 -4.546 -1.789 4.227 1.00 0.00 N ATOM 909 CA ALA A 62 -5.904 -1.464 4.648 1.00 0.00 C ATOM 910 C ALA A 62 -6.132 -1.805 6.120 1.00 0.00 C ATOM 911 O ALA A 62 -6.204 -2.974 6.495 1.00 0.00 O ATOM 912 CB ALA A 62 -6.900 -2.195 3.763 1.00 0.00 C ATOM 0 H ALA A 62 -4.135 -1.120 3.576 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.051 -0.389 4.541 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -7.914 -1.951 4.079 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.759 -1.889 2.726 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.742 -3.270 3.848 1.00 0.00 H new ATOM 918 N LYS A 63 -6.269 -0.772 6.948 1.00 0.00 N ATOM 919 CA LYS A 63 -6.511 -0.965 8.371 1.00 0.00 C ATOM 920 C LYS A 63 -7.658 -1.939 8.545 1.00 0.00 C ATOM 921 O LYS A 63 -7.690 -2.743 9.477 1.00 0.00 O ATOM 922 CB LYS A 63 -6.851 0.368 9.038 1.00 0.00 C ATOM 923 CG LYS A 63 -7.113 0.255 10.530 1.00 0.00 C ATOM 924 CD LYS A 63 -5.842 -0.076 11.290 1.00 0.00 C ATOM 925 CE LYS A 63 -6.093 -0.163 12.787 1.00 0.00 C ATOM 926 NZ LYS A 63 -5.329 -1.275 13.418 1.00 0.00 N ATOM 0 H LYS A 63 -6.216 0.204 6.657 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.613 -1.364 8.842 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.030 1.066 8.874 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.731 0.792 8.555 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.527 1.193 10.901 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.860 -0.517 10.713 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.439 -1.024 10.932 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.089 0.686 11.090 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.814 0.780 13.257 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.158 -0.307 12.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.529 -1.298 14.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.613 -2.179 12.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.311 -1.125 13.268 1.00 0.00 H new ATOM 940 N SER A 64 -8.590 -1.856 7.610 1.00 0.00 N ATOM 941 CA SER A 64 -9.759 -2.719 7.592 1.00 0.00 C ATOM 942 C SER A 64 -10.251 -2.878 6.165 1.00 0.00 C ATOM 943 O SER A 64 -10.759 -1.933 5.563 1.00 0.00 O ATOM 944 CB SER A 64 -10.872 -2.146 8.462 1.00 0.00 C ATOM 945 OG SER A 64 -10.459 -0.951 9.103 1.00 0.00 O ATOM 0 H SER A 64 -8.557 -1.187 6.841 1.00 0.00 H new ATOM 0 HA SER A 64 -9.478 -3.692 7.994 1.00 0.00 H new ATOM 0 HB2 SER A 64 -11.751 -1.947 7.848 1.00 0.00 H new ATOM 0 HB3 SER A 64 -11.166 -2.881 9.212 1.00 0.00 H new ATOM 0 HG SER A 64 -11.192 -0.605 9.653 1.00 0.00 H new ATOM 951 N TYR A 65 -10.072 -4.068 5.619 1.00 0.00 N ATOM 952 CA TYR A 65 -10.470 -4.341 4.249 1.00 0.00 C ATOM 953 C TYR A 65 -11.829 -5.006 4.169 1.00 0.00 C ATOM 954 O TYR A 65 -12.293 -5.624 5.127 1.00 0.00 O ATOM 955 CB TYR A 65 -9.443 -5.259 3.587 1.00 0.00 C ATOM 956 CG TYR A 65 -8.868 -6.291 4.530 1.00 0.00 C ATOM 957 CD1 TYR A 65 -9.583 -7.437 4.853 1.00 0.00 C ATOM 958 CD2 TYR A 65 -7.614 -6.117 5.101 1.00 0.00 C ATOM 959 CE1 TYR A 65 -9.063 -8.382 5.718 1.00 0.00 C ATOM 960 CE2 TYR A 65 -7.088 -7.056 5.966 1.00 0.00 C ATOM 961 CZ TYR A 65 -7.816 -8.186 6.271 1.00 0.00 C ATOM 962 OH TYR A 65 -7.295 -9.123 7.134 1.00 0.00 O ATOM 0 H TYR A 65 -9.653 -4.862 6.104 1.00 0.00 H new ATOM 0 HA TYR A 65 -10.525 -3.382 3.734 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.911 -5.768 2.744 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -8.631 -4.653 3.183 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -10.561 -7.592 4.422 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.041 -5.233 4.865 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.631 -9.269 5.959 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -6.111 -6.906 6.401 1.00 0.00 H new ATOM 0 HH TYR A 65 -6.408 -8.834 7.433 1.00 0.00 H new ATOM 972 N ASN A 66 -12.433 -4.924 2.992 1.00 0.00 N ATOM 973 CA ASN A 66 -13.713 -5.574 2.757 1.00 0.00 C ATOM 974 C ASN A 66 -13.579 -6.418 1.517 1.00 0.00 C ATOM 975 O ASN A 66 -14.542 -6.720 0.812 1.00 0.00 O ATOM 976 CB ASN A 66 -14.848 -4.563 2.622 1.00 0.00 C ATOM 977 CG ASN A 66 -15.986 -4.834 3.586 1.00 0.00 C ATOM 978 OD1 ASN A 66 -16.412 -3.949 4.327 1.00 0.00 O ATOM 979 ND2 ASN A 66 -16.487 -6.065 3.578 1.00 0.00 N ATOM 0 H ASN A 66 -12.060 -4.417 2.190 1.00 0.00 H new ATOM 0 HA ASN A 66 -13.970 -6.200 3.612 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -14.459 -3.560 2.797 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -15.229 -4.584 1.601 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -17.256 -6.307 4.203 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -16.103 -6.768 2.947 1.00 0.00 H new ATOM 986 N ARG A 67 -12.335 -6.781 1.295 1.00 0.00 N ATOM 987 CA ARG A 67 -11.915 -7.601 0.170 1.00 0.00 C ATOM 988 C ARG A 67 -13.097 -8.075 -0.650 1.00 0.00 C ATOM 989 O ARG A 67 -13.801 -9.016 -0.282 1.00 0.00 O ATOM 990 CB ARG A 67 -11.127 -8.789 0.684 1.00 0.00 C ATOM 991 CG ARG A 67 -11.717 -9.333 1.958 1.00 0.00 C ATOM 992 CD ARG A 67 -11.347 -10.790 2.184 1.00 0.00 C ATOM 993 NE ARG A 67 -12.013 -11.350 3.359 1.00 0.00 N ATOM 994 CZ ARG A 67 -13.332 -11.486 3.470 1.00 0.00 C ATOM 995 NH1 ARG A 67 -14.130 -11.110 2.479 1.00 0.00 N ATOM 996 NH2 ARG A 67 -13.855 -12.005 4.574 1.00 0.00 N ATOM 0 H ARG A 67 -11.564 -6.509 1.905 1.00 0.00 H new ATOM 0 HA ARG A 67 -11.288 -6.993 -0.482 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -11.111 -9.572 -0.074 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -10.093 -8.493 0.858 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -11.370 -8.736 2.801 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -12.802 -9.236 1.925 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -11.616 -11.373 1.303 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -10.267 -10.875 2.305 1.00 0.00 H new ATOM 0 HE ARG A 67 -11.432 -11.655 4.140 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -13.733 -10.714 1.627 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -15.140 -11.217 2.569 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -13.246 -12.300 5.337 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -14.866 -12.109 4.659 1.00 0.00 H new ATOM 1010 N VAL A 68 -13.294 -7.409 -1.764 1.00 0.00 N ATOM 1011 CA VAL A 68 -14.377 -7.730 -2.676 1.00 0.00 C ATOM 1012 C VAL A 68 -13.847 -8.473 -3.889 1.00 0.00 C ATOM 1013 O VAL A 68 -14.179 -8.138 -5.020 1.00 0.00 O ATOM 1014 CB VAL A 68 -15.106 -6.459 -3.158 1.00 0.00 C ATOM 1015 CG1 VAL A 68 -15.549 -5.591 -1.987 1.00 0.00 C ATOM 1016 CG2 VAL A 68 -14.211 -5.665 -4.097 1.00 0.00 C ATOM 0 H VAL A 68 -12.711 -6.629 -2.067 1.00 0.00 H new ATOM 0 HA VAL A 68 -15.081 -8.358 -2.130 1.00 0.00 H new ATOM 0 HB VAL A 68 -16.001 -6.770 -3.697 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -16.059 -4.704 -2.364 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -16.229 -6.158 -1.351 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -14.677 -5.289 -1.407 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -14.737 -4.770 -4.431 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -13.299 -5.377 -3.574 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -13.955 -6.278 -4.961 1.00 0.00 H new ATOM 1026 N THR A 69 -13.011 -9.474 -3.645 1.00 0.00 N ATOM 1027 CA THR A 69 -12.422 -10.255 -4.726 1.00 0.00 C ATOM 1028 C THR A 69 -13.335 -10.263 -5.939 1.00 0.00 C ATOM 1029 O THR A 69 -14.472 -10.731 -5.877 1.00 0.00 O ATOM 1030 CB THR A 69 -12.143 -11.692 -4.297 1.00 0.00 C ATOM 1031 OG1 THR A 69 -11.164 -11.735 -3.273 1.00 0.00 O ATOM 1032 CG2 THR A 69 -11.654 -12.549 -5.446 1.00 0.00 C ATOM 0 H THR A 69 -12.726 -9.764 -2.710 1.00 0.00 H new ATOM 0 HA THR A 69 -11.475 -9.781 -4.984 1.00 0.00 H new ATOM 0 HB THR A 69 -13.092 -12.087 -3.934 1.00 0.00 H new ATOM 0 HG1 THR A 69 -11.003 -12.666 -3.013 1.00 0.00 H new ATOM 0 HG21 THR A 69 -11.469 -13.563 -5.091 1.00 0.00 H new ATOM 0 HG22 THR A 69 -12.410 -12.572 -6.231 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.730 -12.130 -5.845 1.00 0.00 H new ATOM 1040 N VAL A 70 -12.828 -9.735 -7.037 1.00 0.00 N ATOM 1041 CA VAL A 70 -13.593 -9.669 -8.274 1.00 0.00 C ATOM 1042 C VAL A 70 -12.785 -10.146 -9.462 1.00 0.00 C ATOM 1043 O VAL A 70 -11.699 -10.707 -9.320 1.00 0.00 O ATOM 1044 CB VAL A 70 -14.067 -8.240 -8.581 1.00 0.00 C ATOM 1045 CG1 VAL A 70 -15.467 -8.254 -9.175 1.00 0.00 C ATOM 1046 CG2 VAL A 70 -14.023 -7.377 -7.334 1.00 0.00 C ATOM 0 H VAL A 70 -11.888 -9.344 -7.100 1.00 0.00 H new ATOM 0 HA VAL A 70 -14.453 -10.321 -8.120 1.00 0.00 H new ATOM 0 HB VAL A 70 -13.388 -7.809 -9.316 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -15.783 -7.232 -9.385 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -15.464 -8.830 -10.100 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -16.158 -8.710 -8.466 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -14.363 -6.370 -7.576 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -14.673 -7.806 -6.572 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -13.001 -7.334 -6.957 1.00 0.00 H new ATOM 1056 N MET A 71 -13.338 -9.900 -10.636 1.00 0.00 N ATOM 1057 CA MET A 71 -12.701 -10.275 -11.882 1.00 0.00 C ATOM 1058 C MET A 71 -12.128 -11.679 -11.808 1.00 0.00 C ATOM 1059 O MET A 71 -12.799 -12.621 -11.383 1.00 0.00 O ATOM 1060 CB MET A 71 -11.595 -9.286 -12.230 1.00 0.00 C ATOM 1061 CG MET A 71 -11.981 -7.848 -11.988 1.00 0.00 C ATOM 1062 SD MET A 71 -13.493 -7.379 -12.852 1.00 0.00 S ATOM 1063 CE MET A 71 -13.998 -5.946 -11.904 1.00 0.00 C ATOM 0 H MET A 71 -14.239 -9.436 -10.751 1.00 0.00 H new ATOM 0 HA MET A 71 -13.462 -10.256 -12.662 1.00 0.00 H new ATOM 0 HB2 MET A 71 -10.709 -9.521 -11.641 1.00 0.00 H new ATOM 0 HB3 MET A 71 -11.323 -9.410 -13.278 1.00 0.00 H new ATOM 0 HG2 MET A 71 -12.114 -7.687 -10.918 1.00 0.00 H new ATOM 0 HG3 MET A 71 -11.167 -7.198 -12.310 1.00 0.00 H new ATOM 0 HE1 MET A 71 -14.778 -5.409 -12.444 1.00 0.00 H new ATOM 0 HE2 MET A 71 -14.382 -6.267 -10.936 1.00 0.00 H new ATOM 0 HE3 MET A 71 -13.142 -5.288 -11.755 1.00 0.00 H new ATOM 1073 N GLY A 72 -10.880 -11.808 -12.232 1.00 0.00 N ATOM 1074 CA GLY A 72 -10.221 -13.090 -12.219 1.00 0.00 C ATOM 1075 C GLY A 72 -9.672 -13.463 -10.854 1.00 0.00 C ATOM 1076 O GLY A 72 -8.651 -14.143 -10.757 1.00 0.00 O ATOM 0 H GLY A 72 -10.311 -11.039 -12.587 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -10.925 -13.857 -12.543 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.405 -13.080 -12.942 1.00 0.00 H new ATOM 1080 N GLY A 73 -10.347 -13.017 -9.798 1.00 0.00 N ATOM 1081 CA GLY A 73 -9.898 -13.320 -8.453 1.00 0.00 C ATOM 1082 C GLY A 73 -9.105 -12.182 -7.849 1.00 0.00 C ATOM 1083 O GLY A 73 -8.266 -12.395 -6.973 1.00 0.00 O ATOM 0 H GLY A 73 -11.195 -12.452 -9.851 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -10.761 -13.535 -7.823 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -9.284 -14.220 -8.470 1.00 0.00 H new ATOM 1087 N PHE A 74 -9.375 -10.969 -8.318 1.00 0.00 N ATOM 1088 CA PHE A 74 -8.686 -9.790 -7.819 1.00 0.00 C ATOM 1089 C PHE A 74 -8.932 -9.627 -6.324 1.00 0.00 C ATOM 1090 O PHE A 74 -9.684 -10.394 -5.726 1.00 0.00 O ATOM 1091 CB PHE A 74 -9.150 -8.541 -8.572 1.00 0.00 C ATOM 1092 CG PHE A 74 -8.691 -8.489 -10.004 1.00 0.00 C ATOM 1093 CD1 PHE A 74 -7.606 -9.240 -10.430 1.00 0.00 C ATOM 1094 CD2 PHE A 74 -9.346 -7.685 -10.924 1.00 0.00 C ATOM 1095 CE1 PHE A 74 -7.183 -9.188 -11.746 1.00 0.00 C ATOM 1096 CE2 PHE A 74 -8.927 -7.630 -12.241 1.00 0.00 C ATOM 1097 CZ PHE A 74 -7.845 -8.383 -12.651 1.00 0.00 C ATOM 0 H PHE A 74 -10.067 -10.779 -9.043 1.00 0.00 H new ATOM 0 HA PHE A 74 -7.616 -9.918 -7.985 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -10.239 -8.497 -8.548 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.784 -7.657 -8.051 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.085 -9.873 -9.726 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -10.194 -7.095 -10.609 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -6.336 -9.777 -12.065 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.446 -6.999 -12.948 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.517 -8.342 -13.679 1.00 0.00 H new ATOM 1107 N LYS A 75 -8.290 -8.635 -5.721 1.00 0.00 N ATOM 1108 CA LYS A 75 -8.446 -8.394 -4.292 1.00 0.00 C ATOM 1109 C LYS A 75 -8.157 -6.938 -3.945 1.00 0.00 C ATOM 1110 O LYS A 75 -7.020 -6.476 -4.037 1.00 0.00 O ATOM 1111 CB LYS A 75 -7.523 -9.317 -3.494 1.00 0.00 C ATOM 1112 CG LYS A 75 -7.236 -10.638 -4.190 1.00 0.00 C ATOM 1113 CD LYS A 75 -8.304 -11.674 -3.886 1.00 0.00 C ATOM 1114 CE LYS A 75 -7.812 -12.705 -2.883 1.00 0.00 C ATOM 1115 NZ LYS A 75 -7.790 -12.166 -1.496 1.00 0.00 N ATOM 0 H LYS A 75 -7.660 -7.988 -6.195 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.481 -8.608 -4.026 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -6.581 -8.802 -3.307 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.975 -9.518 -2.523 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.180 -10.478 -5.267 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -6.263 -11.013 -3.872 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.192 -11.178 -3.494 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.600 -12.174 -4.808 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -8.456 -13.584 -2.921 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.810 -13.032 -3.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -7.449 -12.900 -0.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.156 -11.343 -1.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.750 -11.877 -1.220 1.00 0.00 H new ATOM 1129 N VAL A 76 -9.200 -6.226 -3.543 1.00 0.00 N ATOM 1130 CA VAL A 76 -9.089 -4.819 -3.170 1.00 0.00 C ATOM 1131 C VAL A 76 -9.263 -4.670 -1.699 1.00 0.00 C ATOM 1132 O VAL A 76 -9.519 -3.575 -1.197 1.00 0.00 O ATOM 1133 CB VAL A 76 -10.196 -3.995 -3.852 1.00 0.00 C ATOM 1134 CG1 VAL A 76 -9.975 -3.986 -5.358 1.00 0.00 C ATOM 1135 CG2 VAL A 76 -11.527 -4.648 -3.498 1.00 0.00 C ATOM 0 H VAL A 76 -10.144 -6.603 -3.466 1.00 0.00 H new ATOM 0 HA VAL A 76 -8.106 -4.465 -3.482 1.00 0.00 H new ATOM 0 HB VAL A 76 -10.186 -2.959 -3.512 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -10.760 -3.402 -5.838 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -9.005 -3.542 -5.581 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -10.001 -5.008 -5.736 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -12.340 -4.092 -3.964 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -11.536 -5.676 -3.861 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -11.658 -4.644 -2.416 1.00 0.00 H new ATOM 1145 N GLU A 77 -9.167 -5.788 -1.021 1.00 0.00 N ATOM 1146 CA GLU A 77 -9.377 -5.805 0.417 1.00 0.00 C ATOM 1147 C GLU A 77 -10.344 -4.680 0.708 1.00 0.00 C ATOM 1148 O GLU A 77 -10.198 -3.928 1.668 1.00 0.00 O ATOM 1149 CB GLU A 77 -8.054 -5.602 1.160 1.00 0.00 C ATOM 1150 CG GLU A 77 -6.858 -5.446 0.238 1.00 0.00 C ATOM 1151 CD GLU A 77 -6.399 -6.766 -0.352 1.00 0.00 C ATOM 1152 OE1 GLU A 77 -7.013 -7.805 -0.031 1.00 0.00 O ATOM 1153 OE2 GLU A 77 -5.427 -6.759 -1.135 1.00 0.00 O ATOM 0 H GLU A 77 -8.947 -6.695 -1.433 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.775 -6.763 0.753 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.133 -4.717 1.792 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.884 -6.452 1.821 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.114 -4.761 -0.570 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.035 -4.994 0.791 1.00 0.00 H new ATOM 1160 N ASN A 78 -11.297 -4.553 -0.218 1.00 0.00 N ATOM 1161 CA ASN A 78 -12.281 -3.491 -0.208 1.00 0.00 C ATOM 1162 C ASN A 78 -12.015 -2.593 0.978 1.00 0.00 C ATOM 1163 O ASN A 78 -12.752 -2.572 1.964 1.00 0.00 O ATOM 1164 CB ASN A 78 -13.699 -4.023 -0.208 1.00 0.00 C ATOM 1165 CG ASN A 78 -14.655 -2.907 -0.526 1.00 0.00 C ATOM 1166 OD1 ASN A 78 -15.198 -2.810 -1.619 1.00 0.00 O ATOM 1167 ND2 ASN A 78 -14.847 -2.057 0.448 1.00 0.00 N ATOM 0 H ASN A 78 -11.400 -5.198 -1.002 1.00 0.00 H new ATOM 0 HA ASN A 78 -12.186 -2.912 -1.126 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -13.799 -4.822 -0.943 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -13.937 -4.453 0.765 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -15.476 -1.265 0.317 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -14.368 -2.186 1.339 1.00 0.00 H new ATOM 1172 N HIS A 79 -10.889 -1.911 0.875 1.00 0.00 N ATOM 1173 CA HIS A 79 -10.385 -1.048 1.922 1.00 0.00 C ATOM 1174 C HIS A 79 -11.427 -0.180 2.578 1.00 0.00 C ATOM 1175 O HIS A 79 -12.043 0.687 1.970 1.00 0.00 O ATOM 1176 CB HIS A 79 -9.236 -0.200 1.396 1.00 0.00 C ATOM 1177 CG HIS A 79 -8.108 -1.056 0.971 1.00 0.00 C ATOM 1178 ND1 HIS A 79 -6.901 -0.601 0.506 1.00 0.00 N ATOM 1179 CD2 HIS A 79 -8.042 -2.399 0.959 1.00 0.00 C ATOM 1180 CE1 HIS A 79 -6.148 -1.673 0.224 1.00 0.00 C ATOM 1181 NE2 HIS A 79 -6.796 -2.793 0.483 1.00 0.00 N ATOM 0 H HIS A 79 -10.292 -1.943 0.049 1.00 0.00 H new ATOM 0 HA HIS A 79 -10.031 -1.715 2.708 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -9.578 0.404 0.555 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -8.903 0.491 2.170 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -6.626 0.375 0.395 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -8.832 -3.066 1.270 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -5.141 -1.626 -0.165 1.00 0.00 H new ATOM 1189 N THR A 80 -11.564 -0.406 3.856 1.00 0.00 N ATOM 1190 CA THR A 80 -12.474 0.371 4.672 1.00 0.00 C ATOM 1191 C THR A 80 -11.661 1.346 5.507 1.00 0.00 C ATOM 1192 O THR A 80 -12.181 2.325 6.042 1.00 0.00 O ATOM 1193 CB THR A 80 -13.315 -0.541 5.549 1.00 0.00 C ATOM 1194 OG1 THR A 80 -12.739 -0.679 6.834 1.00 0.00 O ATOM 1195 CG2 THR A 80 -13.469 -1.916 4.951 1.00 0.00 C ATOM 0 H THR A 80 -11.054 -1.128 4.365 1.00 0.00 H new ATOM 0 HA THR A 80 -13.162 0.929 4.037 1.00 0.00 H new ATOM 0 HB THR A 80 -14.296 -0.073 5.624 1.00 0.00 H new ATOM 0 HG1 THR A 80 -11.792 -0.916 6.744 1.00 0.00 H new ATOM 0 HG21 THR A 80 -14.077 -2.534 5.611 1.00 0.00 H new ATOM 0 HG22 THR A 80 -13.955 -1.837 3.978 1.00 0.00 H new ATOM 0 HG23 THR A 80 -12.487 -2.372 4.830 1.00 0.00 H new ATOM 1203 N ALA A 81 -10.361 1.065 5.583 1.00 0.00 N ATOM 1204 CA ALA A 81 -9.421 1.898 6.314 1.00 0.00 C ATOM 1205 C ALA A 81 -8.002 1.522 5.913 1.00 0.00 C ATOM 1206 O ALA A 81 -7.720 0.353 5.660 1.00 0.00 O ATOM 1207 CB ALA A 81 -9.620 1.743 7.813 1.00 0.00 C ATOM 0 H ALA A 81 -9.935 0.252 5.138 1.00 0.00 H new ATOM 0 HA ALA A 81 -9.597 2.945 6.065 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -8.907 2.375 8.342 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -10.635 2.041 8.078 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.462 0.702 8.095 1.00 0.00 H new ATOM 1213 N CYS A 82 -7.112 2.505 5.832 1.00 0.00 N ATOM 1214 CA CYS A 82 -5.733 2.233 5.441 1.00 0.00 C ATOM 1215 C CYS A 82 -4.759 2.580 6.561 1.00 0.00 C ATOM 1216 O CYS A 82 -4.903 3.600 7.235 1.00 0.00 O ATOM 1217 CB CYS A 82 -5.370 2.998 4.164 1.00 0.00 C ATOM 1218 SG CYS A 82 -5.780 2.102 2.627 1.00 0.00 S ATOM 0 H CYS A 82 -7.316 3.485 6.029 1.00 0.00 H new ATOM 0 HA CYS A 82 -5.652 1.164 5.243 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -5.890 3.956 4.165 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -4.302 3.215 4.173 1.00 0.00 H new ATOM 1223 N HIS A 83 -3.769 1.715 6.751 1.00 0.00 N ATOM 1224 CA HIS A 83 -2.762 1.909 7.786 1.00 0.00 C ATOM 1225 C HIS A 83 -1.403 1.401 7.322 1.00 0.00 C ATOM 1226 O HIS A 83 -1.203 0.198 7.153 1.00 0.00 O ATOM 1227 CB HIS A 83 -3.168 1.185 9.070 1.00 0.00 C ATOM 1228 CG HIS A 83 -3.291 -0.300 8.908 1.00 0.00 C ATOM 1229 ND1 HIS A 83 -3.162 -1.184 9.960 1.00 0.00 N ATOM 1230 CD2 HIS A 83 -3.536 -1.058 7.812 1.00 0.00 C ATOM 1231 CE1 HIS A 83 -3.321 -2.419 9.517 1.00 0.00 C ATOM 1232 NE2 HIS A 83 -3.550 -2.370 8.219 1.00 0.00 N ATOM 0 H HIS A 83 -3.643 0.868 6.198 1.00 0.00 H new ATOM 0 HA HIS A 83 -2.689 2.978 7.985 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -2.432 1.398 9.845 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -4.121 1.584 9.417 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -2.973 -0.925 10.928 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -3.691 -0.698 6.806 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -3.272 -3.316 10.116 1.00 0.00 H new