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= -11.1! C(o=-11!,f=-20!) USER MOD Single : A 19 SER OG : rot 47:sc= 0.12 USER MOD Single : A 20 GLN : amide:sc= -5.26! C(o=-5.3!,f=-5.4!) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,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= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.106 K(o=-0.11,f=-0.65) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -175:sc= -1.11! (180deg=-1.49!) USER MOD Single : A 75 LYS NZ :NH3+ -174:sc= 0.663 (180deg=0.632) USER MOD Single : A 78 ASN : amide:sc= -6.84! C(o=-6.8!,f=-9.8!) USER MOD Single : A 79 HIS : no HD1:sc= -12.9! C(o=-13!,f=-15!) USER MOD Single : A 80 THR OG1 : rot 157:sc= -3.88! USER MOD Single : A 83 HIS : no HE2:sc= -2.42 X(o=-2.4,f=-2.2) USER MOD ----------------------------------------------------------------- ATOM 147 N LEU A 12 -8.046 3.159 3.038 1.00 0.00 N ATOM 148 CA LEU A 12 -9.067 2.813 2.069 1.00 0.00 C ATOM 149 C LEU A 12 -9.765 4.026 1.505 1.00 0.00 C ATOM 150 O LEU A 12 -10.220 4.902 2.239 1.00 0.00 O ATOM 151 CB LEU A 12 -10.087 1.902 2.711 1.00 0.00 C ATOM 152 CG LEU A 12 -9.595 0.489 2.958 1.00 0.00 C ATOM 153 CD1 LEU A 12 -8.552 0.478 4.060 1.00 0.00 C ATOM 154 CD2 LEU A 12 -10.763 -0.392 3.309 1.00 0.00 C ATOM 0 HA LEU A 12 -8.569 2.308 1.242 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.398 2.337 3.661 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.971 1.860 2.075 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.125 0.104 2.053 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.209 -0.543 4.226 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.707 1.102 3.768 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.990 0.867 4.979 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.412 -1.408 3.487 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.247 -0.013 4.209 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.477 -0.394 2.486 1.00 0.00 H new ATOM 166 N GLN A 13 -9.870 4.051 0.189 1.00 0.00 N ATOM 167 CA GLN A 13 -10.543 5.138 -0.485 1.00 0.00 C ATOM 168 C GLN A 13 -11.873 4.672 -1.016 1.00 0.00 C ATOM 169 O GLN A 13 -12.221 4.888 -2.175 1.00 0.00 O ATOM 170 CB GLN A 13 -9.696 5.689 -1.597 1.00 0.00 C ATOM 171 CG GLN A 13 -8.366 6.218 -1.108 1.00 0.00 C ATOM 172 CD GLN A 13 -8.146 7.677 -1.459 1.00 0.00 C ATOM 173 OE1 GLN A 13 -7.916 8.022 -2.617 1.00 0.00 O ATOM 174 NE2 GLN A 13 -8.218 8.543 -0.454 1.00 0.00 N ATOM 0 H GLN A 13 -9.498 3.331 -0.430 1.00 0.00 H new ATOM 0 HA GLN A 13 -10.711 5.938 0.236 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -9.522 4.908 -2.337 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -10.239 6.490 -2.100 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -8.308 6.097 -0.026 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.562 5.621 -1.539 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -8.411 8.212 0.491 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -8.080 9.539 -0.628 1.00 0.00 H new ATOM 183 N GLU A 14 -12.579 4.013 -0.129 1.00 0.00 N ATOM 184 CA GLU A 14 -13.894 3.441 -0.406 1.00 0.00 C ATOM 185 C GLU A 14 -14.270 3.594 -1.866 1.00 0.00 C ATOM 186 O GLU A 14 -14.318 4.698 -2.407 1.00 0.00 O ATOM 187 CB GLU A 14 -14.974 4.058 0.472 1.00 0.00 C ATOM 188 CG GLU A 14 -15.880 3.022 1.123 1.00 0.00 C ATOM 189 CD GLU A 14 -16.128 3.304 2.591 1.00 0.00 C ATOM 190 OE1 GLU A 14 -15.546 4.277 3.116 1.00 0.00 O ATOM 191 OE2 GLU A 14 -16.905 2.553 3.217 1.00 0.00 O ATOM 0 H GLU A 14 -12.258 3.851 0.826 1.00 0.00 H new ATOM 0 HA GLU A 14 -13.826 2.378 -0.173 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -14.502 4.659 1.249 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -15.580 4.735 -0.130 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -16.834 2.996 0.596 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -15.431 2.034 1.017 1.00 0.00 H new ATOM 198 N ASN A 15 -14.528 2.467 -2.487 1.00 0.00 N ATOM 199 CA ASN A 15 -14.884 2.420 -3.886 1.00 0.00 C ATOM 200 C ASN A 15 -16.183 3.146 -4.176 1.00 0.00 C ATOM 201 O ASN A 15 -17.268 2.623 -3.921 1.00 0.00 O ATOM 202 CB ASN A 15 -14.991 0.979 -4.354 1.00 0.00 C ATOM 203 CG ASN A 15 -14.252 0.751 -5.651 1.00 0.00 C ATOM 204 OD1 ASN A 15 -14.835 0.810 -6.732 1.00 0.00 O ATOM 205 ND2 ASN A 15 -12.958 0.495 -5.548 1.00 0.00 N ATOM 0 H ASN A 15 -14.497 1.553 -2.035 1.00 0.00 H new ATOM 0 HA ASN A 15 -14.091 2.930 -4.433 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -14.589 0.317 -3.586 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -16.041 0.717 -4.484 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -12.401 0.337 -6.388 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -12.517 0.456 -4.629 1.00 0.00 H new ATOM 212 N PRO A 16 -16.092 4.342 -4.770 1.00 0.00 N ATOM 213 CA PRO A 16 -17.259 5.107 -5.155 1.00 0.00 C ATOM 214 C PRO A 16 -17.745 4.625 -6.511 1.00 0.00 C ATOM 215 O PRO A 16 -18.480 5.311 -7.222 1.00 0.00 O ATOM 216 CB PRO A 16 -16.740 6.543 -5.225 1.00 0.00 C ATOM 217 CG PRO A 16 -15.262 6.435 -5.459 1.00 0.00 C ATOM 218 CD PRO A 16 -14.845 5.009 -5.169 1.00 0.00 C ATOM 0 HA PRO A 16 -18.101 5.012 -4.469 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -17.224 7.094 -6.031 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -16.951 7.080 -4.300 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -15.019 6.701 -6.488 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -14.722 7.128 -4.814 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -14.404 4.537 -6.047 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -14.099 4.966 -4.376 1.00 0.00 H new ATOM 226 N PHE A 17 -17.291 3.423 -6.847 1.00 0.00 N ATOM 227 CA PHE A 17 -17.611 2.771 -8.099 1.00 0.00 C ATOM 228 C PHE A 17 -18.405 1.501 -7.843 1.00 0.00 C ATOM 229 O PHE A 17 -19.555 1.367 -8.261 1.00 0.00 O ATOM 230 CB PHE A 17 -16.310 2.409 -8.810 1.00 0.00 C ATOM 231 CG PHE A 17 -16.497 2.006 -10.236 1.00 0.00 C ATOM 232 CD1 PHE A 17 -17.331 0.953 -10.570 1.00 0.00 C ATOM 233 CD2 PHE A 17 -15.835 2.683 -11.240 1.00 0.00 C ATOM 234 CE1 PHE A 17 -17.501 0.583 -11.890 1.00 0.00 C ATOM 235 CE2 PHE A 17 -15.999 2.320 -12.562 1.00 0.00 C ATOM 236 CZ PHE A 17 -16.834 1.268 -12.888 1.00 0.00 C ATOM 0 H PHE A 17 -16.681 2.871 -6.244 1.00 0.00 H new ATOM 0 HA PHE A 17 -18.208 3.445 -8.714 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -15.634 3.263 -8.769 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -15.827 1.594 -8.272 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -17.853 0.416 -9.792 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -15.182 3.506 -10.989 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -18.154 -0.240 -12.142 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -15.476 2.857 -13.340 1.00 0.00 H new ATOM 0 HZ PHE A 17 -16.965 0.982 -13.921 1.00 0.00 H new ATOM 246 N PHE A 18 -17.763 0.573 -7.145 1.00 0.00 N ATOM 247 CA PHE A 18 -18.370 -0.705 -6.810 1.00 0.00 C ATOM 248 C PHE A 18 -19.376 -0.543 -5.681 1.00 0.00 C ATOM 249 O PHE A 18 -19.984 -1.514 -5.231 1.00 0.00 O ATOM 250 CB PHE A 18 -17.285 -1.706 -6.408 1.00 0.00 C ATOM 251 CG PHE A 18 -16.085 -1.666 -7.310 1.00 0.00 C ATOM 252 CD1 PHE A 18 -16.248 -1.599 -8.680 1.00 0.00 C ATOM 253 CD2 PHE A 18 -14.800 -1.692 -6.793 1.00 0.00 C ATOM 254 CE1 PHE A 18 -15.155 -1.558 -9.524 1.00 0.00 C ATOM 255 CE2 PHE A 18 -13.700 -1.651 -7.631 1.00 0.00 C ATOM 256 CZ PHE A 18 -13.879 -1.584 -8.999 1.00 0.00 C ATOM 0 H PHE A 18 -16.811 0.686 -6.797 1.00 0.00 H new ATOM 0 HA PHE A 18 -18.897 -1.080 -7.687 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -16.970 -1.501 -5.385 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -17.705 -2.712 -6.416 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -17.244 -1.578 -9.097 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -14.655 -1.745 -5.724 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -15.299 -1.506 -10.593 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -12.703 -1.671 -7.216 1.00 0.00 H new ATOM 0 HZ PHE A 18 -13.023 -1.552 -9.656 1.00 0.00 H new ATOM 266 N SER A 19 -19.544 0.691 -5.226 1.00 0.00 N ATOM 267 CA SER A 19 -20.473 0.984 -4.149 1.00 0.00 C ATOM 268 C SER A 19 -21.812 0.296 -4.388 1.00 0.00 C ATOM 269 O SER A 19 -22.600 0.717 -5.235 1.00 0.00 O ATOM 270 CB SER A 19 -20.674 2.491 -4.021 1.00 0.00 C ATOM 271 OG SER A 19 -20.871 3.088 -5.291 1.00 0.00 O ATOM 0 H SER A 19 -19.047 1.505 -5.588 1.00 0.00 H new ATOM 0 HA SER A 19 -20.050 0.602 -3.220 1.00 0.00 H new ATOM 0 HB2 SER A 19 -21.534 2.694 -3.383 1.00 0.00 H new ATOM 0 HB3 SER A 19 -19.806 2.937 -3.536 1.00 0.00 H new ATOM 0 HG SER A 19 -21.530 2.569 -5.798 1.00 0.00 H new ATOM 277 N GLN A 20 -22.060 -0.763 -3.630 1.00 0.00 N ATOM 278 CA GLN A 20 -23.298 -1.523 -3.740 1.00 0.00 C ATOM 279 C GLN A 20 -24.264 -1.122 -2.635 1.00 0.00 C ATOM 280 O GLN A 20 -23.852 -0.553 -1.626 1.00 0.00 O ATOM 281 CB GLN A 20 -23.005 -3.023 -3.646 1.00 0.00 C ATOM 282 CG GLN A 20 -22.482 -3.626 -4.937 1.00 0.00 C ATOM 283 CD GLN A 20 -20.981 -3.835 -4.914 1.00 0.00 C ATOM 284 OE1 GLN A 20 -20.390 -4.065 -3.859 1.00 0.00 O ATOM 285 NE2 GLN A 20 -20.357 -3.757 -6.082 1.00 0.00 N ATOM 0 H GLN A 20 -21.413 -1.118 -2.926 1.00 0.00 H new ATOM 0 HA GLN A 20 -23.753 -1.305 -4.706 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -22.275 -3.192 -2.855 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -23.917 -3.545 -3.355 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -22.976 -4.581 -5.114 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -22.742 -2.973 -5.770 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -20.887 -3.564 -6.932 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -19.347 -3.890 -6.130 1.00 0.00 H new ATOM 294 N PRO A 21 -25.561 -1.421 -2.807 1.00 0.00 N ATOM 295 CA PRO A 21 -26.584 -1.099 -1.811 1.00 0.00 C ATOM 296 C PRO A 21 -26.169 -1.559 -0.417 1.00 0.00 C ATOM 297 O PRO A 21 -26.723 -2.515 0.127 1.00 0.00 O ATOM 298 CB PRO A 21 -27.829 -1.865 -2.291 1.00 0.00 C ATOM 299 CG PRO A 21 -27.369 -2.740 -3.415 1.00 0.00 C ATOM 300 CD PRO A 21 -26.130 -2.102 -3.973 1.00 0.00 C ATOM 0 HA PRO A 21 -26.754 -0.026 -1.728 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -28.256 -2.460 -1.484 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -28.605 -1.177 -2.625 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -27.159 -3.749 -3.060 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -28.140 -2.825 -4.181 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -25.444 -2.843 -4.383 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -26.362 -1.403 -4.776 1.00 0.00 H new ATOM 308 N GLY A 22 -25.174 -0.878 0.141 1.00 0.00 N ATOM 309 CA GLY A 22 -24.668 -1.224 1.453 1.00 0.00 C ATOM 310 C GLY A 22 -23.201 -1.601 1.409 1.00 0.00 C ATOM 311 O GLY A 22 -22.707 -2.310 2.286 1.00 0.00 O ATOM 0 H GLY A 22 -24.706 -0.085 -0.298 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -24.806 -0.381 2.130 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -25.245 -2.056 1.857 1.00 0.00 H new ATOM 315 N ALA A 23 -22.502 -1.134 0.375 1.00 0.00 N ATOM 316 CA ALA A 23 -21.086 -1.438 0.216 1.00 0.00 C ATOM 317 C ALA A 23 -20.421 -0.518 -0.774 1.00 0.00 C ATOM 318 O ALA A 23 -20.471 -0.719 -1.982 1.00 0.00 O ATOM 319 CB ALA A 23 -20.910 -2.877 -0.204 1.00 0.00 C ATOM 0 H ALA A 23 -22.894 -0.546 -0.361 1.00 0.00 H new ATOM 0 HA ALA A 23 -20.603 -1.282 1.181 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -19.848 -3.095 -0.320 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -21.334 -3.533 0.557 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -21.421 -3.044 -1.152 1.00 0.00 H new ATOM 325 N PRO A 24 -19.774 0.499 -0.234 1.00 0.00 N ATOM 326 CA PRO A 24 -19.053 1.507 -0.999 1.00 0.00 C ATOM 327 C PRO A 24 -17.641 1.067 -1.356 1.00 0.00 C ATOM 328 O PRO A 24 -16.774 1.884 -1.660 1.00 0.00 O ATOM 329 CB PRO A 24 -19.041 2.667 -0.020 1.00 0.00 C ATOM 330 CG PRO A 24 -18.906 2.007 1.310 1.00 0.00 C ATOM 331 CD PRO A 24 -19.694 0.743 1.215 1.00 0.00 C ATOM 0 HA PRO A 24 -19.508 1.731 -1.964 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -18.212 3.347 -0.215 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -19.957 3.254 -0.084 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -17.861 1.800 1.540 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -19.287 2.647 2.105 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -19.200 -0.078 1.734 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -20.683 0.852 1.659 1.00 0.00 H new ATOM 339 N ILE A 25 -17.449 -0.238 -1.329 1.00 0.00 N ATOM 340 CA ILE A 25 -16.182 -0.875 -1.650 1.00 0.00 C ATOM 341 C ILE A 25 -14.979 0.010 -1.391 1.00 0.00 C ATOM 342 O ILE A 25 -15.103 1.065 -0.777 1.00 0.00 O ATOM 343 CB ILE A 25 -16.205 -1.418 -3.086 1.00 0.00 C ATOM 344 CG1 ILE A 25 -17.214 -2.542 -3.118 1.00 0.00 C ATOM 345 CG2 ILE A 25 -14.845 -1.949 -3.478 1.00 0.00 C ATOM 346 CD1 ILE A 25 -17.092 -3.409 -1.885 1.00 0.00 C ATOM 0 H ILE A 25 -18.183 -0.900 -1.078 1.00 0.00 H new ATOM 0 HA ILE A 25 -16.065 -1.716 -0.966 1.00 0.00 H new ATOM 0 HB ILE A 25 -16.469 -0.625 -3.786 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -18.221 -2.131 -3.180 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -17.061 -3.148 -4.011 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -14.883 -2.329 -4.499 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -14.110 -1.147 -3.417 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -14.560 -2.755 -2.801 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -17.828 -4.211 -1.930 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -16.091 -3.837 -1.839 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -17.269 -2.804 -0.996 1.00 0.00 H new ATOM 358 N LEU A 26 -13.792 -0.470 -1.765 1.00 0.00 N ATOM 359 CA LEU A 26 -12.575 0.255 -1.469 1.00 0.00 C ATOM 360 C LEU A 26 -11.412 -0.079 -2.357 1.00 0.00 C ATOM 361 O LEU A 26 -11.540 -0.696 -3.414 1.00 0.00 O ATOM 362 CB LEU A 26 -12.184 -0.103 -0.062 1.00 0.00 C ATOM 363 CG LEU A 26 -13.285 -0.829 0.666 1.00 0.00 C ATOM 364 CD1 LEU A 26 -12.727 -1.868 1.608 1.00 0.00 C ATOM 365 CD2 LEU A 26 -14.183 0.145 1.403 1.00 0.00 C ATOM 0 H LEU A 26 -13.657 -1.348 -2.267 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.788 1.313 -1.623 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -11.291 -0.727 -0.082 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.926 0.805 0.484 1.00 0.00 H new ATOM 0 HG LEU A 26 -13.889 -1.347 -0.079 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -13.547 -2.374 2.118 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.146 -2.597 1.043 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.085 -1.384 2.344 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -14.969 -0.405 1.920 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -13.594 0.705 2.129 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -14.632 0.836 0.690 1.00 0.00 H new ATOM 377 N GLN A 27 -10.264 0.345 -1.860 1.00 0.00 N ATOM 378 CA GLN A 27 -8.994 0.119 -2.532 1.00 0.00 C ATOM 379 C GLN A 27 -7.880 0.959 -1.906 1.00 0.00 C ATOM 380 O GLN A 27 -7.347 1.872 -2.535 1.00 0.00 O ATOM 381 CB GLN A 27 -9.126 0.420 -4.027 1.00 0.00 C ATOM 382 CG GLN A 27 -7.861 0.147 -4.821 1.00 0.00 C ATOM 383 CD GLN A 27 -8.139 -0.577 -6.125 1.00 0.00 C ATOM 384 OE1 GLN A 27 -8.040 0.005 -7.205 1.00 0.00 O ATOM 385 NE2 GLN A 27 -8.492 -1.855 -6.030 1.00 0.00 N ATOM 0 H GLN A 27 -10.184 0.855 -0.980 1.00 0.00 H new ATOM 0 HA GLN A 27 -8.725 -0.930 -2.409 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.938 -0.179 -4.438 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.405 1.466 -4.154 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.358 1.091 -5.033 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -7.178 -0.449 -4.216 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.562 -2.298 -5.114 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -8.693 -2.393 -6.873 1.00 0.00 H new ATOM 394 N CYS A 28 -7.542 0.628 -0.658 1.00 0.00 N ATOM 395 CA CYS A 28 -6.494 1.325 0.092 1.00 0.00 C ATOM 396 C CYS A 28 -5.609 2.168 -0.818 1.00 0.00 C ATOM 397 O CYS A 28 -4.829 1.640 -1.611 1.00 0.00 O ATOM 398 CB CYS A 28 -5.642 0.322 0.875 1.00 0.00 C ATOM 399 SG CYS A 28 -6.566 -0.588 2.160 1.00 0.00 S ATOM 0 H CYS A 28 -7.986 -0.130 -0.139 1.00 0.00 H new ATOM 0 HA CYS A 28 -6.987 2.000 0.791 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -5.208 -0.394 0.177 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -4.813 0.852 1.344 1.00 0.00 H new ATOM 892 N VAL A 61 -0.326 -3.230 1.110 1.00 0.00 N ATOM 893 CA VAL A 61 -1.096 -4.312 0.508 1.00 0.00 C ATOM 894 C VAL A 61 -2.148 -4.815 1.489 1.00 0.00 C ATOM 895 O VAL A 61 -1.911 -5.770 2.229 1.00 0.00 O ATOM 896 CB VAL A 61 -0.193 -5.488 0.084 1.00 0.00 C ATOM 897 CG1 VAL A 61 0.670 -5.953 1.248 1.00 0.00 C ATOM 898 CG2 VAL A 61 -1.032 -6.637 -0.457 1.00 0.00 C ATOM 0 HA VAL A 61 -1.579 -3.912 -0.384 1.00 0.00 H new ATOM 0 HB VAL A 61 0.468 -5.142 -0.710 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.299 -6.783 0.926 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.300 -5.130 1.585 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.030 -6.279 2.068 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.378 -7.458 -0.751 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.720 -6.980 0.315 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.599 -6.297 -1.323 1.00 0.00 H new ATOM 908 N ALA A 62 -3.301 -4.148 1.497 1.00 0.00 N ATOM 909 CA ALA A 62 -4.399 -4.495 2.396 1.00 0.00 C ATOM 910 C ALA A 62 -4.034 -5.637 3.338 1.00 0.00 C ATOM 911 O ALA A 62 -3.936 -6.790 2.919 1.00 0.00 O ATOM 912 CB ALA A 62 -5.652 -4.856 1.610 1.00 0.00 C ATOM 0 H ALA A 62 -3.499 -3.357 0.884 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.597 -3.611 3.003 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.455 -5.110 2.302 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.956 -4.006 0.999 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.444 -5.710 0.966 1.00 0.00 H new ATOM 918 N LYS A 63 -3.870 -5.317 4.617 1.00 0.00 N ATOM 919 CA LYS A 63 -3.561 -6.326 5.614 1.00 0.00 C ATOM 920 C LYS A 63 -4.626 -7.395 5.538 1.00 0.00 C ATOM 921 O LYS A 63 -4.358 -8.592 5.642 1.00 0.00 O ATOM 922 CB LYS A 63 -3.549 -5.703 7.006 1.00 0.00 C ATOM 923 CG LYS A 63 -2.738 -6.492 8.015 1.00 0.00 C ATOM 924 CD LYS A 63 -2.494 -5.689 9.280 1.00 0.00 C ATOM 925 CE LYS A 63 -1.325 -6.249 10.073 1.00 0.00 C ATOM 926 NZ LYS A 63 -1.023 -5.425 11.276 1.00 0.00 N ATOM 0 H LYS A 63 -3.946 -4.368 4.984 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.577 -6.754 5.424 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.147 -4.692 6.939 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.574 -5.615 7.365 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.262 -7.415 8.264 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.783 -6.777 7.573 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.295 -4.649 9.020 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.392 -5.697 9.897 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.551 -7.270 10.380 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.443 -6.296 9.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.220 -5.841 11.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.782 -4.457 10.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.856 -5.401 11.898 1.00 0.00 H new ATOM 940 N SER A 64 -5.839 -6.920 5.318 1.00 0.00 N ATOM 941 CA SER A 64 -7.001 -7.771 5.175 1.00 0.00 C ATOM 942 C SER A 64 -7.789 -7.311 3.960 1.00 0.00 C ATOM 943 O SER A 64 -7.441 -6.307 3.339 1.00 0.00 O ATOM 944 CB SER A 64 -7.874 -7.711 6.429 1.00 0.00 C ATOM 945 OG SER A 64 -7.505 -8.717 7.356 1.00 0.00 O ATOM 0 H SER A 64 -6.044 -5.924 5.233 1.00 0.00 H new ATOM 0 HA SER A 64 -6.682 -8.805 5.042 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.779 -6.730 6.895 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.921 -7.833 6.153 1.00 0.00 H new ATOM 0 HG SER A 64 -8.077 -8.656 8.150 1.00 0.00 H new ATOM 951 N TYR A 65 -8.840 -8.031 3.612 1.00 0.00 N ATOM 952 CA TYR A 65 -9.643 -7.657 2.457 1.00 0.00 C ATOM 953 C TYR A 65 -11.022 -8.277 2.520 1.00 0.00 C ATOM 954 O TYR A 65 -11.205 -9.358 3.080 1.00 0.00 O ATOM 955 CB TYR A 65 -8.965 -8.110 1.166 1.00 0.00 C ATOM 956 CG TYR A 65 -8.347 -9.482 1.263 1.00 0.00 C ATOM 957 CD1 TYR A 65 -9.143 -10.618 1.292 1.00 0.00 C ATOM 958 CD2 TYR A 65 -6.970 -9.640 1.330 1.00 0.00 C ATOM 959 CE1 TYR A 65 -8.584 -11.877 1.387 1.00 0.00 C ATOM 960 CE2 TYR A 65 -6.401 -10.896 1.424 1.00 0.00 C ATOM 961 CZ TYR A 65 -7.213 -12.011 1.453 1.00 0.00 C ATOM 962 OH TYR A 65 -6.652 -13.264 1.549 1.00 0.00 O ATOM 0 H TYR A 65 -9.156 -8.867 4.103 1.00 0.00 H new ATOM 0 HA TYR A 65 -9.738 -6.571 2.469 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.698 -8.106 0.359 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -8.192 -7.390 0.898 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -10.217 -10.516 1.239 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -6.333 -8.768 1.308 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.217 -12.752 1.409 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -5.328 -11.004 1.474 1.00 0.00 H new ATOM 0 HH TYR A 65 -5.676 -13.184 1.585 1.00 0.00 H new ATOM 972 N ASN A 66 -11.980 -7.615 1.894 1.00 0.00 N ATOM 973 CA ASN A 66 -13.333 -8.146 1.836 1.00 0.00 C ATOM 974 C ASN A 66 -13.730 -8.251 0.386 1.00 0.00 C ATOM 975 O ASN A 66 -14.899 -8.173 0.011 1.00 0.00 O ATOM 976 CB ASN A 66 -14.311 -7.282 2.618 1.00 0.00 C ATOM 977 CG ASN A 66 -14.810 -7.961 3.878 1.00 0.00 C ATOM 978 OD1 ASN A 66 -14.101 -8.762 4.488 1.00 0.00 O ATOM 979 ND2 ASN A 66 -16.038 -7.643 4.276 1.00 0.00 N ATOM 0 H ASN A 66 -11.850 -6.719 1.424 1.00 0.00 H new ATOM 0 HA ASN A 66 -13.360 -9.131 2.302 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -13.828 -6.342 2.883 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -15.161 -7.035 1.982 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -16.427 -8.068 5.117 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -16.591 -6.974 3.740 1.00 0.00 H new ATOM 986 N ARG A 67 -12.695 -8.431 -0.402 1.00 0.00 N ATOM 987 CA ARG A 67 -12.782 -8.564 -1.848 1.00 0.00 C ATOM 988 C ARG A 67 -14.206 -8.807 -2.315 1.00 0.00 C ATOM 989 O ARG A 67 -14.750 -9.903 -2.177 1.00 0.00 O ATOM 990 CB ARG A 67 -11.887 -9.705 -2.303 1.00 0.00 C ATOM 991 CG ARG A 67 -11.867 -10.835 -1.306 1.00 0.00 C ATOM 992 CD ARG A 67 -10.843 -11.897 -1.671 1.00 0.00 C ATOM 993 NE ARG A 67 -11.471 -13.120 -2.164 1.00 0.00 N ATOM 994 CZ ARG A 67 -12.116 -13.982 -1.385 1.00 0.00 C ATOM 995 NH1 ARG A 67 -12.217 -13.754 -0.083 1.00 0.00 N ATOM 996 NH2 ARG A 67 -12.659 -15.072 -1.908 1.00 0.00 N ATOM 0 H ARG A 67 -11.740 -8.491 -0.050 1.00 0.00 H new ATOM 0 HA ARG A 67 -12.451 -7.625 -2.292 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -12.235 -10.077 -3.267 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -10.873 -9.334 -2.452 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -11.643 -10.440 -0.315 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -12.857 -11.289 -1.252 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -10.169 -11.504 -2.432 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -10.235 -12.129 -0.797 1.00 0.00 H new ATOM 0 HE ARG A 67 -11.411 -13.324 -3.162 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -11.799 -12.916 0.322 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -12.712 -14.416 0.514 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -12.582 -15.250 -2.909 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -13.154 -15.733 -1.309 1.00 0.00 H new ATOM 1010 N VAL A 68 -14.783 -7.772 -2.889 1.00 0.00 N ATOM 1011 CA VAL A 68 -16.134 -7.830 -3.419 1.00 0.00 C ATOM 1012 C VAL A 68 -16.084 -7.842 -4.933 1.00 0.00 C ATOM 1013 O VAL A 68 -16.810 -7.100 -5.595 1.00 0.00 O ATOM 1014 CB VAL A 68 -16.971 -6.621 -2.964 1.00 0.00 C ATOM 1015 CG1 VAL A 68 -16.899 -6.442 -1.455 1.00 0.00 C ATOM 1016 CG2 VAL A 68 -16.502 -5.361 -3.673 1.00 0.00 C ATOM 0 H VAL A 68 -14.330 -6.865 -3.003 1.00 0.00 H new ATOM 0 HA VAL A 68 -16.601 -8.740 -3.042 1.00 0.00 H new ATOM 0 HB VAL A 68 -18.012 -6.807 -3.230 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -17.499 -5.581 -1.162 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -17.283 -7.336 -0.964 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -15.863 -6.281 -1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -17.102 -4.513 -3.343 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -15.454 -5.179 -3.436 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -16.613 -5.487 -4.750 1.00 0.00 H new ATOM 1026 N THR A 69 -15.199 -8.671 -5.470 1.00 0.00 N ATOM 1027 CA THR A 69 -15.016 -8.764 -6.913 1.00 0.00 C ATOM 1028 C THR A 69 -16.157 -8.091 -7.650 1.00 0.00 C ATOM 1029 O THR A 69 -17.314 -8.495 -7.531 1.00 0.00 O ATOM 1030 CB THR A 69 -14.901 -10.203 -7.386 1.00 0.00 C ATOM 1031 OG1 THR A 69 -13.740 -10.822 -6.859 1.00 0.00 O ATOM 1032 CG2 THR A 69 -14.835 -10.288 -8.894 1.00 0.00 C ATOM 0 H THR A 69 -14.596 -9.290 -4.928 1.00 0.00 H new ATOM 0 HA THR A 69 -14.080 -8.252 -7.137 1.00 0.00 H new ATOM 0 HB THR A 69 -15.793 -10.718 -7.030 1.00 0.00 H new ATOM 0 HG1 THR A 69 -13.690 -11.748 -7.177 1.00 0.00 H new ATOM 0 HG21 THR A 69 -14.753 -11.332 -9.196 1.00 0.00 H new ATOM 0 HG22 THR A 69 -15.739 -9.856 -9.323 1.00 0.00 H new ATOM 0 HG23 THR A 69 -13.965 -9.737 -9.252 1.00 0.00 H new ATOM 1040 N VAL A 70 -15.826 -7.059 -8.401 1.00 0.00 N ATOM 1041 CA VAL A 70 -16.821 -6.319 -9.150 1.00 0.00 C ATOM 1042 C VAL A 70 -16.653 -6.500 -10.640 1.00 0.00 C ATOM 1043 O VAL A 70 -15.986 -7.422 -11.108 1.00 0.00 O ATOM 1044 CB VAL A 70 -16.774 -4.811 -8.854 1.00 0.00 C ATOM 1045 CG1 VAL A 70 -18.145 -4.303 -8.438 1.00 0.00 C ATOM 1046 CG2 VAL A 70 -15.732 -4.482 -7.791 1.00 0.00 C ATOM 0 H VAL A 70 -14.872 -6.713 -8.508 1.00 0.00 H new ATOM 0 HA VAL A 70 -17.781 -6.724 -8.829 1.00 0.00 H new ATOM 0 HB VAL A 70 -16.480 -4.303 -9.772 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -18.090 -3.234 -8.233 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -18.859 -4.482 -9.242 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -18.471 -4.828 -7.540 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -15.726 -3.408 -7.607 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -15.976 -5.007 -6.867 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -14.747 -4.796 -8.137 1.00 0.00 H new ATOM 1056 N MET A 71 -17.286 -5.603 -11.372 1.00 0.00 N ATOM 1057 CA MET A 71 -17.247 -5.630 -12.820 1.00 0.00 C ATOM 1058 C MET A 71 -15.913 -6.164 -13.328 1.00 0.00 C ATOM 1059 O MET A 71 -14.864 -5.908 -12.737 1.00 0.00 O ATOM 1060 CB MET A 71 -17.514 -4.240 -13.398 1.00 0.00 C ATOM 1061 CG MET A 71 -16.589 -3.163 -12.856 1.00 0.00 C ATOM 1062 SD MET A 71 -16.734 -1.604 -13.752 1.00 0.00 S ATOM 1063 CE MET A 71 -17.394 -2.168 -15.319 1.00 0.00 C ATOM 0 H MET A 71 -17.838 -4.840 -10.982 1.00 0.00 H new ATOM 0 HA MET A 71 -18.034 -6.305 -13.157 1.00 0.00 H new ATOM 0 HB2 MET A 71 -17.412 -4.282 -14.482 1.00 0.00 H new ATOM 0 HB3 MET A 71 -18.546 -3.960 -13.186 1.00 0.00 H new ATOM 0 HG2 MET A 71 -16.813 -2.994 -11.803 1.00 0.00 H new ATOM 0 HG3 MET A 71 -15.558 -3.514 -12.910 1.00 0.00 H new ATOM 0 HE1 MET A 71 -17.455 -1.328 -16.012 1.00 0.00 H new ATOM 0 HE2 MET A 71 -16.740 -2.935 -15.735 1.00 0.00 H new ATOM 0 HE3 MET A 71 -18.390 -2.585 -15.166 1.00 0.00 H new ATOM 1073 N GLY A 72 -15.963 -6.914 -14.424 1.00 0.00 N ATOM 1074 CA GLY A 72 -14.754 -7.480 -14.989 1.00 0.00 C ATOM 1075 C GLY A 72 -13.917 -8.189 -13.945 1.00 0.00 C ATOM 1076 O GLY A 72 -12.721 -8.408 -14.139 1.00 0.00 O ATOM 0 H GLY A 72 -16.819 -7.139 -14.930 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -15.018 -8.182 -15.780 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -14.164 -6.688 -15.450 1.00 0.00 H new ATOM 1080 N GLY A 73 -14.550 -8.546 -12.833 1.00 0.00 N ATOM 1081 CA GLY A 73 -13.846 -9.227 -11.767 1.00 0.00 C ATOM 1082 C GLY A 73 -12.958 -8.292 -10.970 1.00 0.00 C ATOM 1083 O GLY A 73 -11.853 -8.663 -10.575 1.00 0.00 O ATOM 0 H GLY A 73 -15.539 -8.375 -12.652 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -14.569 -9.694 -11.099 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.239 -10.028 -12.190 1.00 0.00 H new ATOM 1087 N PHE A 74 -13.439 -7.075 -10.733 1.00 0.00 N ATOM 1088 CA PHE A 74 -12.671 -6.093 -9.979 1.00 0.00 C ATOM 1089 C PHE A 74 -12.579 -6.490 -8.515 1.00 0.00 C ATOM 1090 O PHE A 74 -13.589 -6.593 -7.825 1.00 0.00 O ATOM 1091 CB PHE A 74 -13.294 -4.704 -10.098 1.00 0.00 C ATOM 1092 CG PHE A 74 -12.714 -3.859 -11.197 1.00 0.00 C ATOM 1093 CD1 PHE A 74 -11.388 -3.998 -11.579 1.00 0.00 C ATOM 1094 CD2 PHE A 74 -13.497 -2.917 -11.843 1.00 0.00 C ATOM 1095 CE1 PHE A 74 -10.857 -3.211 -12.585 1.00 0.00 C ATOM 1096 CE2 PHE A 74 -12.972 -2.129 -12.848 1.00 0.00 C ATOM 1097 CZ PHE A 74 -11.651 -2.275 -13.219 1.00 0.00 C ATOM 0 H PHE A 74 -14.351 -6.748 -11.050 1.00 0.00 H new ATOM 0 HA PHE A 74 -11.667 -6.064 -10.402 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -14.366 -4.812 -10.266 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -13.171 -4.181 -9.150 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -10.764 -4.728 -11.086 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -14.532 -2.797 -11.557 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -9.823 -3.328 -12.874 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -13.595 -1.399 -13.343 1.00 0.00 H new ATOM 0 HZ PHE A 74 -11.238 -1.658 -14.004 1.00 0.00 H new ATOM 1107 N LYS A 75 -11.363 -6.720 -8.050 1.00 0.00 N ATOM 1108 CA LYS A 75 -11.146 -7.126 -6.670 1.00 0.00 C ATOM 1109 C LYS A 75 -10.582 -5.996 -5.811 1.00 0.00 C ATOM 1110 O LYS A 75 -9.378 -5.737 -5.814 1.00 0.00 O ATOM 1111 CB LYS A 75 -10.209 -8.332 -6.627 1.00 0.00 C ATOM 1112 CG LYS A 75 -10.701 -9.511 -7.452 1.00 0.00 C ATOM 1113 CD LYS A 75 -9.698 -9.897 -8.526 1.00 0.00 C ATOM 1114 CE LYS A 75 -10.106 -11.178 -9.237 1.00 0.00 C ATOM 1115 NZ LYS A 75 -10.116 -11.013 -10.717 1.00 0.00 N ATOM 0 H LYS A 75 -10.512 -6.633 -8.605 1.00 0.00 H new ATOM 0 HA LYS A 75 -12.117 -7.393 -6.253 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.225 -8.031 -6.988 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.085 -8.649 -5.592 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.881 -10.364 -6.798 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.654 -9.259 -7.917 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.612 -9.089 -9.252 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.714 -10.027 -8.076 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.418 -11.979 -8.966 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.097 -11.481 -8.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.496 -11.874 -11.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.713 -10.200 -10.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.146 -10.849 -11.055 1.00 0.00 H new ATOM 1129 N VAL A 76 -11.464 -5.357 -5.044 1.00 0.00 N ATOM 1130 CA VAL A 76 -11.071 -4.281 -4.133 1.00 0.00 C ATOM 1131 C VAL A 76 -10.678 -4.875 -2.823 1.00 0.00 C ATOM 1132 O VAL A 76 -10.575 -4.180 -1.812 1.00 0.00 O ATOM 1133 CB VAL A 76 -12.250 -3.315 -3.865 1.00 0.00 C ATOM 1134 CG1 VAL A 76 -12.572 -2.524 -5.121 1.00 0.00 C ATOM 1135 CG2 VAL A 76 -13.442 -4.161 -3.434 1.00 0.00 C ATOM 0 H VAL A 76 -12.462 -5.567 -5.035 1.00 0.00 H new ATOM 0 HA VAL A 76 -10.248 -3.734 -4.594 1.00 0.00 H new ATOM 0 HB VAL A 76 -11.997 -2.598 -3.084 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -13.403 -1.847 -4.922 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -11.698 -1.947 -5.421 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -12.847 -3.210 -5.922 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -14.295 -3.513 -3.235 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -13.696 -4.863 -4.228 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -13.188 -4.714 -2.529 1.00 0.00 H new ATOM 1145 N GLU A 77 -10.516 -6.180 -2.845 1.00 0.00 N ATOM 1146 CA GLU A 77 -10.201 -6.909 -1.630 1.00 0.00 C ATOM 1147 C GLU A 77 -10.868 -6.140 -0.520 1.00 0.00 C ATOM 1148 O GLU A 77 -10.305 -5.931 0.553 1.00 0.00 O ATOM 1149 CB GLU A 77 -8.686 -6.985 -1.424 1.00 0.00 C ATOM 1150 CG GLU A 77 -8.140 -8.401 -1.401 1.00 0.00 C ATOM 1151 CD GLU A 77 -7.767 -8.903 -2.782 1.00 0.00 C ATOM 1152 OE1 GLU A 77 -7.349 -8.077 -3.621 1.00 0.00 O ATOM 1153 OE2 GLU A 77 -7.895 -10.121 -3.025 1.00 0.00 O ATOM 0 H GLU A 77 -10.596 -6.757 -3.682 1.00 0.00 H new ATOM 0 HA GLU A 77 -10.554 -7.940 -1.667 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.192 -6.428 -2.221 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.431 -6.492 -0.486 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.262 -8.438 -0.755 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.885 -9.067 -0.965 1.00 0.00 H new ATOM 1160 N ASN A 78 -12.062 -5.645 -0.871 1.00 0.00 N ATOM 1161 CA ASN A 78 -12.843 -4.775 -0.018 1.00 0.00 C ATOM 1162 C ASN A 78 -12.056 -4.515 1.237 1.00 0.00 C ATOM 1163 O ASN A 78 -12.441 -4.877 2.349 1.00 0.00 O ATOM 1164 CB ASN A 78 -14.234 -5.300 0.285 1.00 0.00 C ATOM 1165 CG ASN A 78 -15.057 -4.180 0.869 1.00 0.00 C ATOM 1166 OD1 ASN A 78 -15.267 -3.154 0.223 1.00 0.00 O ATOM 1167 ND2 ASN A 78 -15.526 -4.359 2.087 1.00 0.00 N ATOM 0 H ASN A 78 -12.507 -5.846 -1.766 1.00 0.00 H new ATOM 0 HA ASN A 78 -13.019 -3.842 -0.554 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -14.702 -5.678 -0.624 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -14.179 -6.133 0.985 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -16.087 -3.631 2.530 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -15.328 -5.225 2.587 1.00 0.00 H new ATOM 1172 N HIS A 79 -10.905 -3.928 0.993 1.00 0.00 N ATOM 1173 CA HIS A 79 -9.932 -3.626 2.014 1.00 0.00 C ATOM 1174 C HIS A 79 -10.530 -3.331 3.362 1.00 0.00 C ATOM 1175 O HIS A 79 -11.390 -2.482 3.540 1.00 0.00 O ATOM 1176 CB HIS A 79 -9.012 -2.503 1.551 1.00 0.00 C ATOM 1177 CG HIS A 79 -8.248 -2.924 0.345 1.00 0.00 C ATOM 1178 ND1 HIS A 79 -7.281 -2.183 -0.295 1.00 0.00 N ATOM 1179 CD2 HIS A 79 -8.349 -4.080 -0.336 1.00 0.00 C ATOM 1180 CE1 HIS A 79 -6.836 -2.905 -1.332 1.00 0.00 C ATOM 1181 NE2 HIS A 79 -7.453 -4.070 -1.401 1.00 0.00 N ATOM 0 H HIS A 79 -10.615 -3.642 0.058 1.00 0.00 H new ATOM 0 HA HIS A 79 -9.345 -4.533 2.159 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -9.599 -1.613 1.325 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -8.322 -2.236 2.352 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -9.021 -4.890 -0.094 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -6.072 -2.577 -2.021 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -7.304 -4.808 -2.090 1.00 0.00 H new ATOM 1189 N THR A 80 -10.029 -4.065 4.312 1.00 0.00 N ATOM 1190 CA THR A 80 -10.435 -3.924 5.696 1.00 0.00 C ATOM 1191 C THR A 80 -9.240 -3.476 6.511 1.00 0.00 C ATOM 1192 O THR A 80 -9.373 -2.969 7.625 1.00 0.00 O ATOM 1193 CB THR A 80 -10.992 -5.238 6.200 1.00 0.00 C ATOM 1194 OG1 THR A 80 -9.953 -6.114 6.600 1.00 0.00 O ATOM 1195 CG2 THR A 80 -11.801 -5.922 5.136 1.00 0.00 C ATOM 0 H THR A 80 -9.323 -4.785 4.157 1.00 0.00 H new ATOM 0 HA THR A 80 -11.220 -3.174 5.790 1.00 0.00 H new ATOM 0 HB THR A 80 -11.626 -5.006 7.056 1.00 0.00 H new ATOM 0 HG1 THR A 80 -10.305 -6.769 7.239 1.00 0.00 H new ATOM 0 HG21 THR A 80 -12.190 -6.864 5.524 1.00 0.00 H new ATOM 0 HG22 THR A 80 -12.631 -5.280 4.841 1.00 0.00 H new ATOM 0 HG23 THR A 80 -11.170 -6.119 4.269 1.00 0.00 H new ATOM 1203 N ALA A 81 -8.066 -3.652 5.916 1.00 0.00 N ATOM 1204 CA ALA A 81 -6.814 -3.252 6.546 1.00 0.00 C ATOM 1205 C ALA A 81 -5.708 -3.123 5.504 1.00 0.00 C ATOM 1206 O ALA A 81 -5.651 -3.909 4.563 1.00 0.00 O ATOM 1207 CB ALA A 81 -6.416 -4.252 7.623 1.00 0.00 C ATOM 0 H ALA A 81 -7.955 -4.072 4.993 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.961 -2.279 7.015 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -5.479 -3.938 8.083 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.196 -4.298 8.383 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -6.288 -5.237 7.175 1.00 0.00 H new ATOM 1213 N CYS A 82 -4.827 -2.137 5.681 1.00 0.00 N ATOM 1214 CA CYS A 82 -3.712 -1.926 4.754 1.00 0.00 C ATOM 1215 C CYS A 82 -2.434 -1.602 5.517 1.00 0.00 C ATOM 1216 O CYS A 82 -2.391 -0.649 6.295 1.00 0.00 O ATOM 1217 CB CYS A 82 -4.008 -0.798 3.761 1.00 0.00 C ATOM 1218 SG CYS A 82 -5.668 -0.073 3.906 1.00 0.00 S ATOM 0 H CYS A 82 -4.863 -1.473 6.455 1.00 0.00 H new ATOM 0 HA CYS A 82 -3.579 -2.853 4.196 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -3.269 -0.009 3.898 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -3.881 -1.181 2.749 1.00 0.00 H new ATOM 1223 N HIS A 83 -1.394 -2.394 5.288 1.00 0.00 N ATOM 1224 CA HIS A 83 -0.116 -2.180 5.953 1.00 0.00 C ATOM 1225 C HIS A 83 0.981 -1.869 4.942 1.00 0.00 C ATOM 1226 O HIS A 83 1.376 -2.727 4.153 1.00 0.00 O ATOM 1227 CB HIS A 83 0.275 -3.402 6.785 1.00 0.00 C ATOM 1228 CG HIS A 83 0.636 -4.603 5.968 1.00 0.00 C ATOM 1229 ND1 HIS A 83 1.676 -5.447 6.293 1.00 0.00 N ATOM 1230 CD2 HIS A 83 0.086 -5.106 4.837 1.00 0.00 C ATOM 1231 CE1 HIS A 83 1.751 -6.416 5.399 1.00 0.00 C ATOM 1232 NE2 HIS A 83 0.797 -6.233 4.505 1.00 0.00 N ATOM 0 H HIS A 83 -1.411 -3.188 4.648 1.00 0.00 H new ATOM 0 HA HIS A 83 -0.229 -1.324 6.618 1.00 0.00 H new ATOM 0 HB2 HIS A 83 1.120 -3.140 7.421 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -0.553 -3.660 7.445 1.00 0.00 H new ATOM 0 HD1 HIS A 83 2.292 -5.340 7.099 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -0.755 -4.697 4.297 1.00 0.00 H new ATOM 0 HE1 HIS A 83 2.471 -7.221 5.399 1.00 0.00 H new