USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 637 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 HIS : no HD1:sc= -5.81! C(o=-6.4!,f=-11!) USER MOD Set 1.2: A 16 SER OG : rot -170:sc= -0.547 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc=-0.00746 X(o=-0.0075,f=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0627 X(o=-0.063,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 2:sc= 0.665! USER MOD Single : A 46 TYR OH : rot -132:sc= 1.26 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -1.48 K(o=-1.5,f=-3.6!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.23 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.0289 X(o=-0.029,f=-0.2) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.0021 X(o=-0.0021,f=0) USER MOD Single : A 82 THR OG1 : rot 48:sc= -3.61! USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 ASN : amide:sc= -3.65 K(o=-3.7,f=-1.6) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 150 N HIS A 14 -4.884 -18.484 4.171 1.00 0.00 N ATOM 151 CA HIS A 14 -3.500 -18.364 3.746 1.00 0.00 C ATOM 152 C HIS A 14 -2.786 -17.324 4.612 1.00 0.00 C ATOM 153 O HIS A 14 -3.376 -16.313 4.989 1.00 0.00 O ATOM 154 CB HIS A 14 -3.416 -18.048 2.251 1.00 0.00 C ATOM 155 CG HIS A 14 -2.135 -18.508 1.597 1.00 0.00 C ATOM 156 ND1 HIS A 14 -1.031 -17.686 1.450 1.00 0.00 N ATOM 157 CD2 HIS A 14 -1.794 -19.712 1.054 1.00 0.00 C ATOM 158 CE1 HIS A 14 -0.075 -18.375 0.844 1.00 0.00 C ATOM 159 NE2 HIS A 14 -0.550 -19.630 0.599 1.00 0.00 N ATOM 0 HA HIS A 14 -2.989 -19.316 3.886 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.259 -18.516 1.743 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.517 -16.972 2.111 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.429 -20.584 1.003 1.00 0.00 H new ATOM 0 HE1 HIS A 14 0.908 -18.007 0.589 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -0.034 -20.382 0.141 1.00 0.00 H new ATOM 167 N PRO A 15 -1.492 -17.617 4.911 1.00 0.00 N ATOM 168 CA PRO A 15 -0.691 -16.719 5.726 1.00 0.00 C ATOM 169 C PRO A 15 -0.264 -15.487 4.927 1.00 0.00 C ATOM 170 O PRO A 15 0.110 -14.467 5.504 1.00 0.00 O ATOM 171 CB PRO A 15 0.486 -17.559 6.196 1.00 0.00 C ATOM 172 CG PRO A 15 0.548 -18.752 5.256 1.00 0.00 C ATOM 173 CD PRO A 15 -0.759 -18.805 4.483 1.00 0.00 C ATOM 0 HA PRO A 15 -1.243 -16.318 6.576 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.413 -16.986 6.162 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.348 -17.882 7.228 1.00 0.00 H new ATOM 0 HG2 PRO A 15 1.392 -18.656 4.573 1.00 0.00 H new ATOM 0 HG3 PRO A 15 0.696 -19.674 5.818 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.583 -18.796 3.407 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.315 -19.715 4.707 1.00 0.00 H new ATOM 181 N SER A 16 -0.333 -15.621 3.610 1.00 0.00 N ATOM 182 CA SER A 16 0.042 -14.531 2.726 1.00 0.00 C ATOM 183 C SER A 16 -1.160 -13.616 2.485 1.00 0.00 C ATOM 184 O SER A 16 -1.001 -12.409 2.311 1.00 0.00 O ATOM 185 CB SER A 16 0.580 -15.061 1.396 1.00 0.00 C ATOM 186 OG SER A 16 1.551 -16.088 1.583 1.00 0.00 O ATOM 0 H SER A 16 -0.643 -16.468 3.134 1.00 0.00 H new ATOM 0 HA SER A 16 0.836 -13.959 3.206 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.246 -15.448 0.799 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.024 -14.241 0.832 1.00 0.00 H new ATOM 0 HG SER A 16 1.983 -16.289 0.727 1.00 0.00 H new ATOM 192 N ILE A 17 -2.337 -14.225 2.483 1.00 0.00 N ATOM 193 CA ILE A 17 -3.565 -13.480 2.267 1.00 0.00 C ATOM 194 C ILE A 17 -3.915 -12.702 3.536 1.00 0.00 C ATOM 195 O ILE A 17 -4.164 -11.498 3.482 1.00 0.00 O ATOM 196 CB ILE A 17 -4.681 -14.413 1.790 1.00 0.00 C ATOM 197 CG1 ILE A 17 -4.366 -14.981 0.405 1.00 0.00 C ATOM 198 CG2 ILE A 17 -6.038 -13.708 1.826 1.00 0.00 C ATOM 199 CD1 ILE A 17 -4.520 -13.908 -0.676 1.00 0.00 C ATOM 0 H ILE A 17 -2.466 -15.226 2.628 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.431 -12.748 1.471 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.739 -15.256 2.478 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.349 -15.373 0.391 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -5.032 -15.817 0.191 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.813 -14.393 1.482 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -6.258 -13.394 2.846 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -6.011 -12.834 1.175 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -4.290 -14.338 -1.651 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -5.544 -13.536 -0.676 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.835 -13.085 -0.472 1.00 0.00 H new ATOM 211 N SER A 18 -3.923 -13.421 4.649 1.00 0.00 N ATOM 212 CA SER A 18 -4.239 -12.812 5.931 1.00 0.00 C ATOM 213 C SER A 18 -3.287 -11.646 6.204 1.00 0.00 C ATOM 214 O SER A 18 -3.572 -10.792 7.043 1.00 0.00 O ATOM 215 CB SER A 18 -4.159 -13.839 7.062 1.00 0.00 C ATOM 216 OG SER A 18 -4.486 -13.267 8.326 1.00 0.00 O ATOM 0 H SER A 18 -3.716 -14.419 4.690 1.00 0.00 H new ATOM 0 HA SER A 18 -5.261 -12.436 5.890 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.839 -14.665 6.851 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.153 -14.257 7.102 1.00 0.00 H new ATOM 0 HG SER A 18 -4.425 -13.954 9.022 1.00 0.00 H new ATOM 222 N ARG A 19 -2.177 -11.647 5.481 1.00 0.00 N ATOM 223 CA ARG A 19 -1.183 -10.599 5.635 1.00 0.00 C ATOM 224 C ARG A 19 -1.553 -9.385 4.781 1.00 0.00 C ATOM 225 O ARG A 19 -1.736 -8.287 5.303 1.00 0.00 O ATOM 226 CB ARG A 19 0.207 -11.095 5.229 1.00 0.00 C ATOM 227 CG ARG A 19 1.230 -9.958 5.277 1.00 0.00 C ATOM 228 CD ARG A 19 1.657 -9.665 6.716 1.00 0.00 C ATOM 229 NE ARG A 19 3.050 -10.117 6.933 1.00 0.00 N ATOM 230 CZ ARG A 19 3.655 -10.138 8.128 1.00 0.00 C ATOM 231 NH1 ARG A 19 2.995 -9.733 9.221 1.00 0.00 N ATOM 232 NH2 ARG A 19 4.921 -10.564 8.230 1.00 0.00 N ATOM 0 H ARG A 19 -1.944 -12.357 4.787 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.163 -10.314 6.687 1.00 0.00 H new ATOM 0 HB2 ARG A 19 0.519 -11.899 5.896 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.169 -11.512 4.223 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.103 -10.225 4.682 1.00 0.00 H new ATOM 0 HG3 ARG A 19 0.802 -9.060 4.831 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.577 -8.597 6.917 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.989 -10.172 7.413 1.00 0.00 H new ATOM 0 HE ARG A 19 3.582 -10.432 6.122 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.031 -9.408 9.144 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.456 -9.749 10.131 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.424 -10.872 7.398 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.382 -10.580 9.140 1.00 0.00 H new ATOM 246 N LEU A 20 -1.653 -9.625 3.481 1.00 0.00 N ATOM 247 CA LEU A 20 -1.998 -8.565 2.549 1.00 0.00 C ATOM 248 C LEU A 20 -3.233 -7.822 3.063 1.00 0.00 C ATOM 249 O LEU A 20 -3.281 -6.593 3.030 1.00 0.00 O ATOM 250 CB LEU A 20 -2.162 -9.126 1.136 1.00 0.00 C ATOM 251 CG LEU A 20 -0.933 -9.031 0.229 1.00 0.00 C ATOM 252 CD1 LEU A 20 -1.088 -9.929 -1.000 1.00 0.00 C ATOM 253 CD2 LEU A 20 -0.646 -7.579 -0.154 1.00 0.00 C ATOM 0 H LEU A 20 -1.501 -10.538 3.052 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.190 -7.836 2.485 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.451 -10.174 1.214 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.987 -8.603 0.652 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.069 -9.394 0.785 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.201 -9.843 -1.628 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.208 -10.964 -0.681 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.966 -9.620 -1.568 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.232 -7.539 -0.799 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.504 -7.166 -0.684 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.461 -6.995 0.747 1.00 0.00 H new ATOM 265 N GLN A 21 -4.201 -8.599 3.526 1.00 0.00 N ATOM 266 CA GLN A 21 -5.433 -8.030 4.046 1.00 0.00 C ATOM 267 C GLN A 21 -5.123 -6.975 5.110 1.00 0.00 C ATOM 268 O GLN A 21 -5.874 -6.016 5.276 1.00 0.00 O ATOM 269 CB GLN A 21 -6.347 -9.121 4.606 1.00 0.00 C ATOM 270 CG GLN A 21 -7.469 -9.457 3.621 1.00 0.00 C ATOM 271 CD GLN A 21 -8.707 -9.976 4.355 1.00 0.00 C ATOM 272 OE1 GLN A 21 -9.394 -9.251 5.055 1.00 0.00 O ATOM 273 NE2 GLN A 21 -8.951 -11.268 4.156 1.00 0.00 N ATOM 0 H GLN A 21 -4.157 -9.618 3.552 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.961 -7.545 3.225 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -5.763 -10.017 4.816 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -6.776 -8.791 5.552 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -7.729 -8.569 3.045 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -7.122 -10.208 2.911 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -8.334 -11.817 3.557 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -9.755 -11.710 4.602 1.00 0.00 H new ATOM 282 N GLU A 22 -4.014 -7.189 5.804 1.00 0.00 N ATOM 283 CA GLU A 22 -3.595 -6.268 6.847 1.00 0.00 C ATOM 284 C GLU A 22 -2.805 -5.106 6.243 1.00 0.00 C ATOM 285 O GLU A 22 -2.820 -3.997 6.776 1.00 0.00 O ATOM 286 CB GLU A 22 -2.776 -6.990 7.919 1.00 0.00 C ATOM 287 CG GLU A 22 -3.464 -6.909 9.282 1.00 0.00 C ATOM 288 CD GLU A 22 -2.455 -6.589 10.388 1.00 0.00 C ATOM 289 OE1 GLU A 22 -2.141 -5.389 10.539 1.00 0.00 O ATOM 290 OE2 GLU A 22 -2.022 -7.552 11.056 1.00 0.00 O ATOM 0 H GLU A 22 -3.393 -7.986 5.664 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.486 -5.864 7.328 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.642 -8.034 7.637 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.782 -6.547 7.982 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.238 -6.142 9.258 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.960 -7.855 9.500 1.00 0.00 H new ATOM 297 N ILE A 23 -2.132 -5.399 5.140 1.00 0.00 N ATOM 298 CA ILE A 23 -1.338 -4.391 4.458 1.00 0.00 C ATOM 299 C ILE A 23 -2.263 -3.472 3.659 1.00 0.00 C ATOM 300 O ILE A 23 -2.008 -2.273 3.548 1.00 0.00 O ATOM 301 CB ILE A 23 -0.248 -5.052 3.611 1.00 0.00 C ATOM 302 CG1 ILE A 23 0.881 -5.591 4.493 1.00 0.00 C ATOM 303 CG2 ILE A 23 0.271 -4.092 2.539 1.00 0.00 C ATOM 304 CD1 ILE A 23 1.438 -6.900 3.932 1.00 0.00 C ATOM 0 H ILE A 23 -2.120 -6.320 4.702 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.815 -3.766 5.181 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.688 -5.905 3.094 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.679 -4.852 4.561 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.510 -5.754 5.505 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.044 -4.587 1.951 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.550 -3.799 1.885 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.689 -3.206 3.016 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.239 -7.261 4.578 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.643 -7.645 3.889 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.830 -6.729 2.929 1.00 0.00 H new ATOM 316 N GLN A 24 -3.319 -4.067 3.125 1.00 0.00 N ATOM 317 CA GLN A 24 -4.285 -3.316 2.340 1.00 0.00 C ATOM 318 C GLN A 24 -5.051 -2.339 3.235 1.00 0.00 C ATOM 319 O GLN A 24 -4.951 -1.126 3.063 1.00 0.00 O ATOM 320 CB GLN A 24 -5.244 -4.255 1.606 1.00 0.00 C ATOM 321 CG GLN A 24 -4.691 -4.638 0.231 1.00 0.00 C ATOM 322 CD GLN A 24 -5.444 -3.909 -0.884 1.00 0.00 C ATOM 323 OE1 GLN A 24 -5.614 -2.701 -0.867 1.00 0.00 O ATOM 324 NE2 GLN A 24 -5.883 -4.709 -1.852 1.00 0.00 N ATOM 0 H GLN A 24 -3.527 -5.061 3.220 1.00 0.00 H new ATOM 0 HA GLN A 24 -3.745 -2.742 1.587 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.405 -5.154 2.201 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.214 -3.772 1.490 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -3.630 -4.392 0.180 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -4.775 -5.715 0.088 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -5.706 -5.712 -1.804 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.397 -4.319 -2.642 1.00 0.00 H new ATOM 333 N ARG A 25 -5.799 -2.906 4.170 1.00 0.00 N ATOM 334 CA ARG A 25 -6.582 -2.100 5.092 1.00 0.00 C ATOM 335 C ARG A 25 -5.741 -0.942 5.631 1.00 0.00 C ATOM 336 O ARG A 25 -6.280 0.090 6.027 1.00 0.00 O ATOM 337 CB ARG A 25 -7.090 -2.942 6.264 1.00 0.00 C ATOM 338 CG ARG A 25 -5.925 -3.494 7.088 1.00 0.00 C ATOM 339 CD ARG A 25 -6.418 -4.076 8.414 1.00 0.00 C ATOM 340 NE ARG A 25 -6.338 -3.051 9.479 1.00 0.00 N ATOM 341 CZ ARG A 25 -6.389 -3.324 10.790 1.00 0.00 C ATOM 342 NH1 ARG A 25 -6.521 -4.591 11.206 1.00 0.00 N ATOM 343 NH2 ARG A 25 -6.308 -2.330 11.685 1.00 0.00 N ATOM 0 H ARG A 25 -5.880 -3.913 4.309 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.438 -1.707 4.544 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -7.735 -2.335 6.900 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.697 -3.766 5.888 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.406 -4.265 6.519 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.203 -2.700 7.281 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.446 -4.423 8.308 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.816 -4.943 8.686 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.238 -2.076 9.197 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.583 -5.348 10.525 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.560 -4.799 12.204 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -6.208 -1.366 11.368 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.347 -2.538 12.683 1.00 0.00 H new ATOM 357 N GLU A 26 -4.432 -1.152 5.629 1.00 0.00 N ATOM 358 CA GLU A 26 -3.511 -0.138 6.113 1.00 0.00 C ATOM 359 C GLU A 26 -3.395 1.002 5.099 1.00 0.00 C ATOM 360 O GLU A 26 -3.820 2.124 5.370 1.00 0.00 O ATOM 361 CB GLU A 26 -2.139 -0.744 6.416 1.00 0.00 C ATOM 362 CG GLU A 26 -2.140 -1.452 7.772 1.00 0.00 C ATOM 363 CD GLU A 26 -1.602 -0.533 8.871 1.00 0.00 C ATOM 364 OE1 GLU A 26 -0.644 0.211 8.570 1.00 0.00 O ATOM 365 OE2 GLU A 26 -2.161 -0.596 9.988 1.00 0.00 O ATOM 0 H GLU A 26 -3.988 -2.009 5.300 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.906 0.269 7.044 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.869 -1.452 5.632 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.382 0.040 6.412 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.153 -1.768 8.021 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.530 -2.354 7.716 1.00 0.00 H new ATOM 372 N VAL A 27 -2.818 0.674 3.952 1.00 0.00 N ATOM 373 CA VAL A 27 -2.641 1.657 2.896 1.00 0.00 C ATOM 374 C VAL A 27 -3.981 2.339 2.610 1.00 0.00 C ATOM 375 O VAL A 27 -4.017 3.499 2.204 1.00 0.00 O ATOM 376 CB VAL A 27 -2.033 0.992 1.660 1.00 0.00 C ATOM 377 CG1 VAL A 27 -0.745 0.247 2.016 1.00 0.00 C ATOM 378 CG2 VAL A 27 -3.040 0.057 0.988 1.00 0.00 C ATOM 0 H VAL A 27 -2.467 -0.258 3.731 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.942 2.433 3.209 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.780 1.777 0.948 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.333 -0.217 1.120 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.020 0.950 2.427 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.963 -0.523 2.756 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.582 -0.402 0.112 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.340 -0.721 1.691 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.917 0.627 0.682 1.00 0.00 H new ATOM 388 N LYS A 28 -5.050 1.588 2.833 1.00 0.00 N ATOM 389 CA LYS A 28 -6.388 2.106 2.604 1.00 0.00 C ATOM 390 C LYS A 28 -6.807 2.969 3.796 1.00 0.00 C ATOM 391 O LYS A 28 -7.407 4.028 3.619 1.00 0.00 O ATOM 392 CB LYS A 28 -7.360 0.963 2.300 1.00 0.00 C ATOM 393 CG LYS A 28 -7.084 0.361 0.921 1.00 0.00 C ATOM 394 CD LYS A 28 -8.376 -0.141 0.273 1.00 0.00 C ATOM 395 CE LYS A 28 -8.705 -1.562 0.735 1.00 0.00 C ATOM 396 NZ LYS A 28 -10.145 -1.683 1.054 1.00 0.00 N ATOM 0 H LYS A 28 -5.017 0.626 3.170 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.402 2.749 1.724 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.268 0.190 3.063 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.385 1.332 2.341 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.619 1.110 0.280 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.376 -0.463 1.015 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.198 0.528 0.528 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.274 -0.122 -0.812 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.438 -2.275 -0.045 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.110 -1.812 1.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.351 -2.653 1.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.390 -1.016 1.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.708 -1.465 0.207 1.00 0.00 H new ATOM 410 N ALA A 29 -6.474 2.484 4.983 1.00 0.00 N ATOM 411 CA ALA A 29 -6.809 3.198 6.204 1.00 0.00 C ATOM 412 C ALA A 29 -5.927 4.443 6.319 1.00 0.00 C ATOM 413 O ALA A 29 -6.088 5.239 7.243 1.00 0.00 O ATOM 414 CB ALA A 29 -6.653 2.260 7.403 1.00 0.00 C ATOM 0 H ALA A 29 -5.976 1.605 5.126 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.847 3.530 6.183 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.904 2.795 8.319 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.321 1.407 7.287 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.623 1.909 7.459 1.00 0.00 H new ATOM 420 N ILE A 30 -5.014 4.572 5.367 1.00 0.00 N ATOM 421 CA ILE A 30 -4.107 5.707 5.351 1.00 0.00 C ATOM 422 C ILE A 30 -4.222 6.427 4.005 1.00 0.00 C ATOM 423 O ILE A 30 -3.539 7.422 3.769 1.00 0.00 O ATOM 424 CB ILE A 30 -2.683 5.260 5.689 1.00 0.00 C ATOM 425 CG1 ILE A 30 -2.133 4.321 4.614 1.00 0.00 C ATOM 426 CG2 ILE A 30 -2.623 4.633 7.083 1.00 0.00 C ATOM 427 CD1 ILE A 30 -1.150 5.053 3.697 1.00 0.00 C ATOM 0 H ILE A 30 -4.883 3.910 4.602 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.383 6.426 6.123 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.042 6.142 5.704 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.634 3.475 5.086 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.955 3.917 4.023 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.600 4.324 7.299 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.946 5.364 7.825 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.280 3.764 7.120 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.774 4.363 2.942 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.658 5.884 3.208 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.317 5.434 4.287 1.00 0.00 H new ATOM 439 N GLU A 31 -5.091 5.895 3.158 1.00 0.00 N ATOM 440 CA GLU A 31 -5.304 6.474 1.843 1.00 0.00 C ATOM 441 C GLU A 31 -5.851 7.897 1.971 1.00 0.00 C ATOM 442 O GLU A 31 -5.390 8.807 1.285 1.00 0.00 O ATOM 443 CB GLU A 31 -6.240 5.600 1.004 1.00 0.00 C ATOM 444 CG GLU A 31 -6.935 6.425 -0.080 1.00 0.00 C ATOM 445 CD GLU A 31 -7.890 5.557 -0.902 1.00 0.00 C ATOM 446 OE1 GLU A 31 -7.373 4.738 -1.693 1.00 0.00 O ATOM 447 OE2 GLU A 31 -9.114 5.732 -0.722 1.00 0.00 O ATOM 0 H GLU A 31 -5.656 5.069 3.357 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.344 6.520 1.328 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.673 4.792 0.543 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.987 5.138 1.649 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.487 7.245 0.380 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.188 6.872 -0.736 1.00 0.00 H new ATOM 454 N PRO A 32 -6.853 8.047 2.878 1.00 0.00 N ATOM 455 CA PRO A 32 -7.468 9.344 3.106 1.00 0.00 C ATOM 456 C PRO A 32 -6.546 10.253 3.922 1.00 0.00 C ATOM 457 O PRO A 32 -6.865 11.417 4.156 1.00 0.00 O ATOM 458 CB PRO A 32 -8.779 9.039 3.812 1.00 0.00 C ATOM 459 CG PRO A 32 -8.636 7.632 4.368 1.00 0.00 C ATOM 460 CD PRO A 32 -7.425 6.991 3.708 1.00 0.00 C ATOM 0 HA PRO A 32 -7.647 9.893 2.181 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.969 9.757 4.610 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -9.619 9.102 3.120 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -8.511 7.660 5.450 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -9.534 7.049 4.166 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -6.709 6.640 4.451 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.712 6.127 3.108 1.00 0.00 H new ATOM 468 N GLN A 33 -5.421 9.686 4.331 1.00 0.00 N ATOM 469 CA GLN A 33 -4.451 10.430 5.116 1.00 0.00 C ATOM 470 C GLN A 33 -3.484 11.177 4.195 1.00 0.00 C ATOM 471 O GLN A 33 -2.843 12.140 4.612 1.00 0.00 O ATOM 472 CB GLN A 33 -3.693 9.506 6.072 1.00 0.00 C ATOM 473 CG GLN A 33 -4.333 9.512 7.462 1.00 0.00 C ATOM 474 CD GLN A 33 -3.283 9.271 8.549 1.00 0.00 C ATOM 475 OE1 GLN A 33 -3.040 10.102 9.408 1.00 0.00 O ATOM 476 NE2 GLN A 33 -2.677 8.090 8.463 1.00 0.00 N ATOM 0 H GLN A 33 -5.159 8.720 4.134 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.987 11.162 5.720 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.687 8.491 5.675 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.653 9.826 6.145 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.828 10.468 7.635 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.101 8.741 7.516 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -2.929 7.441 7.718 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.960 7.834 9.142 1.00 0.00 H new ATOM 485 N VAL A 34 -3.410 10.705 2.959 1.00 0.00 N ATOM 486 CA VAL A 34 -2.533 11.316 1.975 1.00 0.00 C ATOM 487 C VAL A 34 -3.360 12.202 1.041 1.00 0.00 C ATOM 488 O VAL A 34 -2.900 13.261 0.617 1.00 0.00 O ATOM 489 CB VAL A 34 -1.746 10.234 1.232 1.00 0.00 C ATOM 490 CG1 VAL A 34 -1.733 8.925 2.023 1.00 0.00 C ATOM 491 CG2 VAL A 34 -2.304 10.020 -0.176 1.00 0.00 C ATOM 0 H VAL A 34 -3.944 9.906 2.617 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.798 11.956 2.463 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.716 10.576 1.135 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.167 8.173 1.473 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.267 9.091 2.994 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.756 8.576 2.167 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.727 9.246 -0.682 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.347 9.711 -0.111 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.236 10.951 -0.740 1.00 0.00 H new ATOM 501 N VAL A 35 -4.564 11.735 0.748 1.00 0.00 N ATOM 502 CA VAL A 35 -5.460 12.472 -0.128 1.00 0.00 C ATOM 503 C VAL A 35 -5.821 13.807 0.526 1.00 0.00 C ATOM 504 O VAL A 35 -5.881 14.835 -0.147 1.00 0.00 O ATOM 505 CB VAL A 35 -6.685 11.618 -0.461 1.00 0.00 C ATOM 506 CG1 VAL A 35 -7.632 12.364 -1.404 1.00 0.00 C ATOM 507 CG2 VAL A 35 -6.269 10.271 -1.054 1.00 0.00 C ATOM 0 H VAL A 35 -4.941 10.855 1.101 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.970 12.696 -1.075 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.221 11.423 0.468 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.495 11.736 -1.625 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.967 13.286 -0.929 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.110 12.603 -2.330 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.158 9.683 -1.282 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.699 10.436 -1.968 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.652 9.732 -0.335 1.00 0.00 H new ATOM 517 N GLY A 36 -6.053 13.748 1.829 1.00 0.00 N ATOM 518 CA GLY A 36 -6.407 14.940 2.580 1.00 0.00 C ATOM 519 C GLY A 36 -5.217 15.446 3.398 1.00 0.00 C ATOM 520 O GLY A 36 -5.397 16.045 4.458 1.00 0.00 O ATOM 0 H GLY A 36 -6.003 12.893 2.384 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.740 15.720 1.895 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.243 14.721 3.244 1.00 0.00 H new ATOM 524 N PHE A 37 -4.027 15.187 2.875 1.00 0.00 N ATOM 525 CA PHE A 37 -2.808 15.609 3.544 1.00 0.00 C ATOM 526 C PHE A 37 -2.481 17.068 3.219 1.00 0.00 C ATOM 527 O PHE A 37 -2.847 17.568 2.156 1.00 0.00 O ATOM 528 CB PHE A 37 -1.680 14.717 3.022 1.00 0.00 C ATOM 529 CG PHE A 37 -0.277 15.232 3.348 1.00 0.00 C ATOM 530 CD1 PHE A 37 0.070 15.491 4.637 1.00 0.00 C ATOM 531 CD2 PHE A 37 0.623 15.433 2.349 1.00 0.00 C ATOM 532 CE1 PHE A 37 1.372 15.969 4.940 1.00 0.00 C ATOM 533 CE2 PHE A 37 1.925 15.911 2.651 1.00 0.00 C ATOM 534 CZ PHE A 37 2.272 16.170 3.941 1.00 0.00 C ATOM 0 H PHE A 37 -3.881 14.690 1.996 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.927 15.524 4.624 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.796 13.718 3.443 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.778 14.620 1.941 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.645 15.333 5.431 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.347 15.229 1.325 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.648 16.173 5.964 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.640 16.069 1.857 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.262 16.535 4.171 1.00 0.00 H new ATOM 544 N SER A 38 -1.795 17.709 4.153 1.00 0.00 N ATOM 545 CA SER A 38 -1.414 19.101 3.979 1.00 0.00 C ATOM 546 C SER A 38 -0.053 19.356 4.629 1.00 0.00 C ATOM 547 O SER A 38 0.024 19.659 5.818 1.00 0.00 O ATOM 548 CB SER A 38 -2.469 20.038 4.571 1.00 0.00 C ATOM 549 OG SER A 38 -3.181 20.746 3.560 1.00 0.00 O ATOM 0 H SER A 38 -1.493 17.291 5.033 1.00 0.00 H new ATOM 0 HA SER A 38 -1.343 19.306 2.911 1.00 0.00 H new ATOM 0 HB2 SER A 38 -3.171 19.460 5.172 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.987 20.750 5.241 1.00 0.00 H new ATOM 0 HG SER A 38 -3.846 21.332 3.978 1.00 0.00 H new ATOM 555 N GLY A 39 0.987 19.224 3.819 1.00 0.00 N ATOM 556 CA GLY A 39 2.342 19.436 4.300 1.00 0.00 C ATOM 557 C GLY A 39 3.357 19.280 3.166 1.00 0.00 C ATOM 558 O GLY A 39 3.348 18.278 2.453 1.00 0.00 O ATOM 0 H GLY A 39 0.919 18.973 2.833 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.426 20.433 4.734 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.566 18.723 5.094 1.00 0.00 H new ATOM 562 N LEU A 40 4.209 20.287 3.035 1.00 0.00 N ATOM 563 CA LEU A 40 5.229 20.274 2.000 1.00 0.00 C ATOM 564 C LEU A 40 6.141 19.063 2.204 1.00 0.00 C ATOM 565 O LEU A 40 6.478 18.719 3.335 1.00 0.00 O ATOM 566 CB LEU A 40 5.976 21.609 1.967 1.00 0.00 C ATOM 567 CG LEU A 40 5.663 22.524 0.782 1.00 0.00 C ATOM 568 CD1 LEU A 40 5.759 23.997 1.186 1.00 0.00 C ATOM 569 CD2 LEU A 40 6.560 22.198 -0.414 1.00 0.00 C ATOM 0 H LEU A 40 4.214 21.117 3.628 1.00 0.00 H new ATOM 0 HA LEU A 40 4.772 20.167 1.016 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.753 22.150 2.887 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.046 21.404 1.969 1.00 0.00 H new ATOM 0 HG LEU A 40 4.634 22.342 0.472 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.532 24.626 0.325 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.046 24.203 1.984 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.768 24.213 1.537 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.317 22.863 -1.243 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.604 22.335 -0.133 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.398 21.164 -0.719 1.00 0.00 H new ATOM 581 N SER A 41 6.515 18.450 1.090 1.00 0.00 N ATOM 582 CA SER A 41 7.382 17.285 1.133 1.00 0.00 C ATOM 583 C SER A 41 8.442 17.460 2.222 1.00 0.00 C ATOM 584 O SER A 41 9.269 18.368 2.149 1.00 0.00 O ATOM 585 CB SER A 41 8.050 17.046 -0.223 1.00 0.00 C ATOM 586 OG SER A 41 9.201 17.866 -0.403 1.00 0.00 O ATOM 0 H SER A 41 6.233 18.738 0.153 1.00 0.00 H new ATOM 0 HA SER A 41 6.771 16.413 1.367 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.335 15.997 -0.307 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.334 17.246 -1.020 1.00 0.00 H new ATOM 0 HG SER A 41 9.350 18.402 0.404 1.00 0.00 H new ATOM 652 N TYR A 46 5.212 14.721 6.744 1.00 0.00 N ATOM 653 CA TYR A 46 5.082 14.030 5.473 1.00 0.00 C ATOM 654 C TYR A 46 5.790 12.674 5.511 1.00 0.00 C ATOM 655 O TYR A 46 5.267 11.683 5.003 1.00 0.00 O ATOM 656 CB TYR A 46 5.768 14.921 4.436 1.00 0.00 C ATOM 657 CG TYR A 46 5.989 14.244 3.082 1.00 0.00 C ATOM 658 CD1 TYR A 46 4.982 14.243 2.138 1.00 0.00 C ATOM 659 CD2 TYR A 46 7.195 13.634 2.804 1.00 0.00 C ATOM 660 CE1 TYR A 46 5.190 13.605 0.864 1.00 0.00 C ATOM 661 CE2 TYR A 46 7.403 12.996 1.530 1.00 0.00 C ATOM 662 CZ TYR A 46 6.390 13.013 0.623 1.00 0.00 C ATOM 663 OH TYR A 46 6.586 12.411 -0.581 1.00 0.00 O ATOM 0 HA TYR A 46 4.033 13.850 5.240 1.00 0.00 H new ATOM 0 HB2 TYR A 46 5.167 15.818 4.288 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.731 15.244 4.830 1.00 0.00 H new ATOM 0 HD1 TYR A 46 4.038 14.721 2.355 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.983 13.635 3.542 1.00 0.00 H new ATOM 0 HE1 TYR A 46 4.410 13.597 0.117 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.342 12.515 1.300 1.00 0.00 H new ATOM 0 HH TYR A 46 6.963 11.517 -0.442 1.00 0.00 H new ATOM 673 N LYS A 47 6.968 12.674 6.117 1.00 0.00 N ATOM 674 CA LYS A 47 7.752 11.457 6.228 1.00 0.00 C ATOM 675 C LYS A 47 6.859 10.324 6.736 1.00 0.00 C ATOM 676 O LYS A 47 6.662 9.326 6.044 1.00 0.00 O ATOM 677 CB LYS A 47 8.993 11.696 7.091 1.00 0.00 C ATOM 678 CG LYS A 47 10.254 11.773 6.228 1.00 0.00 C ATOM 679 CD LYS A 47 10.235 13.019 5.339 1.00 0.00 C ATOM 680 CE LYS A 47 10.508 12.654 3.879 1.00 0.00 C ATOM 681 NZ LYS A 47 11.962 12.677 3.602 1.00 0.00 N ATOM 0 H LYS A 47 7.398 13.498 6.536 1.00 0.00 H new ATOM 0 HA LYS A 47 8.125 11.154 5.250 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.876 12.622 7.654 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.095 10.891 7.819 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.136 11.792 6.868 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.329 10.880 5.607 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.267 13.513 5.419 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.985 13.730 5.686 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.107 11.664 3.664 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.995 13.355 3.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.130 12.427 2.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.336 13.630 3.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.444 11.991 4.217 1.00 0.00 H new ATOM 695 N ARG A 48 6.342 10.515 7.941 1.00 0.00 N ATOM 696 CA ARG A 48 5.474 9.522 8.550 1.00 0.00 C ATOM 697 C ARG A 48 4.555 8.902 7.495 1.00 0.00 C ATOM 698 O ARG A 48 4.562 7.689 7.297 1.00 0.00 O ATOM 699 CB ARG A 48 4.622 10.141 9.659 1.00 0.00 C ATOM 700 CG ARG A 48 4.411 9.150 10.806 1.00 0.00 C ATOM 701 CD ARG A 48 4.236 9.883 12.138 1.00 0.00 C ATOM 702 NE ARG A 48 5.558 10.137 12.754 1.00 0.00 N ATOM 703 CZ ARG A 48 6.213 9.252 13.518 1.00 0.00 C ATOM 704 NH1 ARG A 48 5.673 8.051 13.765 1.00 0.00 N ATOM 705 NH2 ARG A 48 7.408 9.569 14.035 1.00 0.00 N ATOM 0 H ARG A 48 6.508 11.344 8.512 1.00 0.00 H new ATOM 0 HA ARG A 48 6.108 8.749 8.984 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.107 11.041 10.036 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.657 10.445 9.254 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.532 8.538 10.605 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.263 8.473 10.868 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.713 10.826 11.978 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.620 9.288 12.812 1.00 0.00 H new ATOM 0 HE ARG A 48 5.998 11.042 12.586 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.763 7.810 13.372 1.00 0.00 H new ATOM 0 HH12 ARG A 48 6.172 7.377 14.346 1.00 0.00 H new ATOM 0 HH21 ARG A 48 7.819 10.484 13.847 1.00 0.00 H new ATOM 0 HH22 ARG A 48 7.907 8.896 14.617 1.00 0.00 H new ATOM 719 N LEU A 49 3.786 9.765 6.847 1.00 0.00 N ATOM 720 CA LEU A 49 2.863 9.317 5.818 1.00 0.00 C ATOM 721 C LEU A 49 3.589 8.365 4.866 1.00 0.00 C ATOM 722 O LEU A 49 3.229 7.193 4.761 1.00 0.00 O ATOM 723 CB LEU A 49 2.221 10.516 5.116 1.00 0.00 C ATOM 724 CG LEU A 49 1.242 11.339 5.955 1.00 0.00 C ATOM 725 CD1 LEU A 49 0.692 12.521 5.154 1.00 0.00 C ATOM 726 CD2 LEU A 49 0.124 10.458 6.516 1.00 0.00 C ATOM 0 H LEU A 49 3.783 10.771 7.014 1.00 0.00 H new ATOM 0 HA LEU A 49 2.040 8.757 6.263 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.015 11.177 4.769 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.696 10.156 4.231 1.00 0.00 H new ATOM 0 HG LEU A 49 1.785 11.751 6.806 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.001 13.089 5.774 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.515 13.166 4.845 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.170 12.151 4.271 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.558 11.068 7.108 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.423 9.997 5.694 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.555 9.680 7.146 1.00 0.00 H new ATOM 738 N GLU A 50 4.599 8.903 4.198 1.00 0.00 N ATOM 739 CA GLU A 50 5.379 8.115 3.259 1.00 0.00 C ATOM 740 C GLU A 50 5.892 6.841 3.933 1.00 0.00 C ATOM 741 O GLU A 50 5.689 5.740 3.424 1.00 0.00 O ATOM 742 CB GLU A 50 6.536 8.934 2.683 1.00 0.00 C ATOM 743 CG GLU A 50 7.311 8.130 1.638 1.00 0.00 C ATOM 744 CD GLU A 50 7.863 9.044 0.542 1.00 0.00 C ATOM 745 OE1 GLU A 50 7.053 9.815 -0.016 1.00 0.00 O ATOM 746 OE2 GLU A 50 9.083 8.951 0.287 1.00 0.00 O ATOM 0 H GLU A 50 4.895 9.875 4.288 1.00 0.00 H new ATOM 0 HA GLU A 50 4.732 7.829 2.430 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.150 9.847 2.231 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.208 9.236 3.487 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.131 7.597 2.119 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.658 7.378 1.195 1.00 0.00 H new ATOM 753 N ARG A 51 6.547 7.033 5.068 1.00 0.00 N ATOM 754 CA ARG A 51 7.091 5.913 5.817 1.00 0.00 C ATOM 755 C ARG A 51 6.089 4.757 5.846 1.00 0.00 C ATOM 756 O ARG A 51 6.466 3.600 5.667 1.00 0.00 O ATOM 757 CB ARG A 51 7.429 6.322 7.252 1.00 0.00 C ATOM 758 CG ARG A 51 8.934 6.228 7.509 1.00 0.00 C ATOM 759 CD ARG A 51 9.480 7.548 8.058 1.00 0.00 C ATOM 760 NE ARG A 51 10.775 7.318 8.737 1.00 0.00 N ATOM 761 CZ ARG A 51 11.384 8.219 9.519 1.00 0.00 C ATOM 762 NH1 ARG A 51 10.819 9.416 9.727 1.00 0.00 N ATOM 763 NH2 ARG A 51 12.557 7.923 10.094 1.00 0.00 N ATOM 0 H ARG A 51 6.713 7.948 5.488 1.00 0.00 H new ATOM 0 HA ARG A 51 8.006 5.593 5.318 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.089 7.342 7.433 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.896 5.679 7.952 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.136 5.424 8.217 1.00 0.00 H new ATOM 0 HG3 ARG A 51 9.450 5.974 6.583 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.608 8.264 7.246 1.00 0.00 H new ATOM 0 HD3 ARG A 51 8.766 7.984 8.757 1.00 0.00 H new ATOM 0 HE ARG A 51 11.232 6.417 8.601 1.00 0.00 H new ATOM 0 HH11 ARG A 51 9.925 9.641 9.290 1.00 0.00 H new ATOM 0 HH12 ARG A 51 11.283 10.102 10.322 1.00 0.00 H new ATOM 0 HH21 ARG A 51 12.987 7.011 9.936 1.00 0.00 H new ATOM 0 HH22 ARG A 51 13.021 8.609 10.689 1.00 0.00 H new ATOM 777 N ILE A 52 4.833 5.111 6.073 1.00 0.00 N ATOM 778 CA ILE A 52 3.774 4.117 6.128 1.00 0.00 C ATOM 779 C ILE A 52 3.705 3.378 4.790 1.00 0.00 C ATOM 780 O ILE A 52 3.939 2.171 4.731 1.00 0.00 O ATOM 781 CB ILE A 52 2.451 4.766 6.540 1.00 0.00 C ATOM 782 CG1 ILE A 52 2.580 5.457 7.900 1.00 0.00 C ATOM 783 CG2 ILE A 52 1.310 3.747 6.521 1.00 0.00 C ATOM 784 CD1 ILE A 52 1.725 6.725 7.954 1.00 0.00 C ATOM 0 H ILE A 52 4.524 6.072 6.221 1.00 0.00 H new ATOM 0 HA ILE A 52 3.990 3.372 6.894 1.00 0.00 H new ATOM 0 HB ILE A 52 2.206 5.536 5.809 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.272 4.772 8.690 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.624 5.710 8.086 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.382 4.235 6.818 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.201 3.341 5.515 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.533 2.938 7.216 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.835 7.196 8.931 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.052 7.417 7.178 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.679 6.466 7.792 1.00 0.00 H new ATOM 796 N LEU A 53 3.383 4.131 3.749 1.00 0.00 N ATOM 797 CA LEU A 53 3.280 3.562 2.416 1.00 0.00 C ATOM 798 C LEU A 53 4.575 2.820 2.082 1.00 0.00 C ATOM 799 O LEU A 53 4.551 1.629 1.774 1.00 0.00 O ATOM 800 CB LEU A 53 2.911 4.644 1.399 1.00 0.00 C ATOM 801 CG LEU A 53 1.443 5.073 1.379 1.00 0.00 C ATOM 802 CD1 LEU A 53 1.275 6.420 0.672 1.00 0.00 C ATOM 803 CD2 LEU A 53 0.562 3.987 0.758 1.00 0.00 C ATOM 0 H LEU A 53 3.190 5.131 3.802 1.00 0.00 H new ATOM 0 HA LEU A 53 2.473 2.830 2.375 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.523 5.524 1.596 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.178 4.286 0.405 1.00 0.00 H new ATOM 0 HG LEU A 53 1.112 5.206 2.409 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.222 6.702 0.672 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.854 7.181 1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.629 6.338 -0.356 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.477 4.318 0.756 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.884 3.798 -0.266 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.650 3.070 1.341 1.00 0.00 H new ATOM 815 N THR A 54 5.676 3.554 2.155 1.00 0.00 N ATOM 816 CA THR A 54 6.979 2.980 1.864 1.00 0.00 C ATOM 817 C THR A 54 7.191 1.700 2.675 1.00 0.00 C ATOM 818 O THR A 54 7.577 0.669 2.126 1.00 0.00 O ATOM 819 CB THR A 54 8.038 4.051 2.132 1.00 0.00 C ATOM 820 OG1 THR A 54 9.003 3.850 1.103 1.00 0.00 O ATOM 821 CG2 THR A 54 8.814 3.797 3.425 1.00 0.00 C ATOM 0 H THR A 54 5.692 4.541 2.411 1.00 0.00 H new ATOM 0 HA THR A 54 7.055 2.682 0.818 1.00 0.00 H new ATOM 0 HB THR A 54 7.560 5.029 2.182 1.00 0.00 H new ATOM 0 HG1 THR A 54 9.726 4.504 1.200 1.00 0.00 H new ATOM 0 HG21 THR A 54 9.552 4.586 3.567 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.123 3.790 4.268 1.00 0.00 H new ATOM 0 HG23 THR A 54 9.320 2.834 3.362 1.00 0.00 H new ATOM 829 N LYS A 55 6.928 1.807 3.970 1.00 0.00 N ATOM 830 CA LYS A 55 7.086 0.671 4.862 1.00 0.00 C ATOM 831 C LYS A 55 6.188 -0.473 4.387 1.00 0.00 C ATOM 832 O LYS A 55 6.667 -1.577 4.131 1.00 0.00 O ATOM 833 CB LYS A 55 6.833 1.090 6.312 1.00 0.00 C ATOM 834 CG LYS A 55 6.945 -0.109 7.256 1.00 0.00 C ATOM 835 CD LYS A 55 5.561 -0.591 7.697 1.00 0.00 C ATOM 836 CE LYS A 55 5.553 -0.945 9.185 1.00 0.00 C ATOM 837 NZ LYS A 55 5.506 -2.414 9.368 1.00 0.00 N ATOM 0 H LYS A 55 6.607 2.663 4.422 1.00 0.00 H new ATOM 0 HA LYS A 55 8.112 0.304 4.834 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.552 1.856 6.604 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.841 1.534 6.398 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.475 -0.921 6.757 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.534 0.166 8.131 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.822 0.185 7.500 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.272 -1.463 7.110 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.444 -0.541 9.666 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.692 -0.484 9.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.501 -2.637 10.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.643 -2.791 8.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.340 -2.846 8.923 1.00 0.00 H new ATOM 851 N GLN A 56 4.902 -0.170 4.284 1.00 0.00 N ATOM 852 CA GLN A 56 3.933 -1.160 3.844 1.00 0.00 C ATOM 853 C GLN A 56 4.382 -1.792 2.525 1.00 0.00 C ATOM 854 O GLN A 56 4.351 -3.013 2.376 1.00 0.00 O ATOM 855 CB GLN A 56 2.540 -0.541 3.710 1.00 0.00 C ATOM 856 CG GLN A 56 1.953 -0.210 5.083 1.00 0.00 C ATOM 857 CD GLN A 56 1.968 -1.437 5.996 1.00 0.00 C ATOM 858 OE1 GLN A 56 2.744 -1.537 6.932 1.00 0.00 O ATOM 859 NE2 GLN A 56 1.068 -2.362 5.674 1.00 0.00 N ATOM 0 H GLN A 56 4.509 0.747 4.498 1.00 0.00 H new ATOM 0 HA GLN A 56 3.875 -1.944 4.599 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.597 0.365 3.107 1.00 0.00 H new ATOM 0 HB3 GLN A 56 1.880 -1.232 3.185 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.525 0.596 5.542 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.931 0.150 4.968 1.00 0.00 H new ATOM 0 HE21 GLN A 56 0.448 -2.215 4.877 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.998 -3.218 6.224 1.00 0.00 H new ATOM 868 N LEU A 57 4.789 -0.933 1.602 1.00 0.00 N ATOM 869 CA LEU A 57 5.244 -1.393 0.301 1.00 0.00 C ATOM 870 C LEU A 57 6.308 -2.476 0.490 1.00 0.00 C ATOM 871 O LEU A 57 6.184 -3.574 -0.049 1.00 0.00 O ATOM 872 CB LEU A 57 5.713 -0.212 -0.551 1.00 0.00 C ATOM 873 CG LEU A 57 6.491 -0.567 -1.820 1.00 0.00 C ATOM 874 CD1 LEU A 57 7.950 -0.891 -1.495 1.00 0.00 C ATOM 875 CD2 LEU A 57 5.807 -1.703 -2.582 1.00 0.00 C ATOM 0 H LEU A 57 4.813 0.079 1.729 1.00 0.00 H new ATOM 0 HA LEU A 57 4.421 -1.848 -0.251 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.839 0.374 -0.836 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.340 0.430 0.068 1.00 0.00 H new ATOM 0 HG LEU A 57 6.493 0.304 -2.475 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.481 -1.140 -2.414 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.420 -0.025 -1.028 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.991 -1.739 -0.811 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.380 -1.936 -3.480 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.753 -2.587 -1.946 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.800 -1.397 -2.864 1.00 0.00 H new ATOM 887 N PHE A 58 7.330 -2.128 1.258 1.00 0.00 N ATOM 888 CA PHE A 58 8.415 -3.056 1.526 1.00 0.00 C ATOM 889 C PHE A 58 7.876 -4.407 2.003 1.00 0.00 C ATOM 890 O PHE A 58 8.522 -5.437 1.818 1.00 0.00 O ATOM 891 CB PHE A 58 9.268 -2.440 2.636 1.00 0.00 C ATOM 892 CG PHE A 58 10.762 -2.744 2.515 1.00 0.00 C ATOM 893 CD1 PHE A 58 11.238 -3.968 2.870 1.00 0.00 C ATOM 894 CD2 PHE A 58 11.615 -1.792 2.052 1.00 0.00 C ATOM 895 CE1 PHE A 58 12.625 -4.251 2.758 1.00 0.00 C ATOM 896 CE2 PHE A 58 13.002 -2.074 1.940 1.00 0.00 C ATOM 897 CZ PHE A 58 13.478 -3.298 2.295 1.00 0.00 C ATOM 0 H PHE A 58 7.429 -1.216 1.703 1.00 0.00 H new ATOM 0 HA PHE A 58 8.992 -3.226 0.617 1.00 0.00 H new ATOM 0 HB2 PHE A 58 9.126 -1.359 2.631 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.911 -2.804 3.599 1.00 0.00 H new ATOM 0 HD1 PHE A 58 10.561 -4.725 3.237 1.00 0.00 H new ATOM 0 HD2 PHE A 58 11.237 -0.821 1.769 1.00 0.00 H new ATOM 0 HE1 PHE A 58 13.003 -5.223 3.040 1.00 0.00 H new ATOM 0 HE2 PHE A 58 13.679 -1.317 1.573 1.00 0.00 H new ATOM 0 HZ PHE A 58 14.533 -3.513 2.209 1.00 0.00 H new ATOM 907 N GLU A 59 6.698 -4.358 2.607 1.00 0.00 N ATOM 908 CA GLU A 59 6.065 -5.564 3.112 1.00 0.00 C ATOM 909 C GLU A 59 5.371 -6.316 1.974 1.00 0.00 C ATOM 910 O GLU A 59 5.283 -7.542 1.998 1.00 0.00 O ATOM 911 CB GLU A 59 5.079 -5.237 4.235 1.00 0.00 C ATOM 912 CG GLU A 59 5.744 -5.375 5.606 1.00 0.00 C ATOM 913 CD GLU A 59 5.272 -6.645 6.319 1.00 0.00 C ATOM 914 OE1 GLU A 59 5.331 -7.713 5.672 1.00 0.00 O ATOM 915 OE2 GLU A 59 4.865 -6.517 7.493 1.00 0.00 O ATOM 0 H GLU A 59 6.165 -3.501 2.758 1.00 0.00 H new ATOM 0 HA GLU A 59 6.838 -6.209 3.529 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.703 -4.221 4.110 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.219 -5.905 4.175 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.827 -5.401 5.488 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.511 -4.503 6.217 1.00 0.00 H new ATOM 922 N ILE A 60 4.897 -5.548 1.004 1.00 0.00 N ATOM 923 CA ILE A 60 4.213 -6.126 -0.141 1.00 0.00 C ATOM 924 C ILE A 60 5.178 -7.044 -0.895 1.00 0.00 C ATOM 925 O ILE A 60 4.797 -8.133 -1.323 1.00 0.00 O ATOM 926 CB ILE A 60 3.604 -5.026 -1.013 1.00 0.00 C ATOM 927 CG1 ILE A 60 2.687 -4.119 -0.189 1.00 0.00 C ATOM 928 CG2 ILE A 60 2.884 -5.622 -2.224 1.00 0.00 C ATOM 929 CD1 ILE A 60 2.119 -2.988 -1.048 1.00 0.00 C ATOM 0 H ILE A 60 4.973 -4.531 0.987 1.00 0.00 H new ATOM 0 HA ILE A 60 3.375 -6.742 0.186 1.00 0.00 H new ATOM 0 HB ILE A 60 4.414 -4.404 -1.395 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.871 -4.706 0.231 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.243 -3.700 0.650 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.460 -4.819 -2.827 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.593 -6.192 -2.825 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.085 -6.281 -1.884 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.471 -2.358 -0.438 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.937 -2.388 -1.447 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.544 -3.411 -1.872 1.00 0.00 H new ATOM 941 N ASP A 61 6.407 -6.571 -1.035 1.00 0.00 N ATOM 942 CA ASP A 61 7.429 -7.336 -1.730 1.00 0.00 C ATOM 943 C ASP A 61 7.790 -8.569 -0.899 1.00 0.00 C ATOM 944 O ASP A 61 8.202 -9.591 -1.445 1.00 0.00 O ATOM 945 CB ASP A 61 8.700 -6.508 -1.925 1.00 0.00 C ATOM 946 CG ASP A 61 9.690 -7.073 -2.945 1.00 0.00 C ATOM 947 OD1 ASP A 61 9.296 -7.164 -4.128 1.00 0.00 O ATOM 948 OD2 ASP A 61 10.819 -7.400 -2.520 1.00 0.00 O ATOM 0 H ASP A 61 6.719 -5.667 -0.679 1.00 0.00 H new ATOM 0 HA ASP A 61 7.032 -7.621 -2.704 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.416 -5.502 -2.235 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.206 -6.414 -0.964 1.00 0.00 H new ATOM 953 N SER A 62 7.623 -8.432 0.408 1.00 0.00 N ATOM 954 CA SER A 62 7.927 -9.521 1.320 1.00 0.00 C ATOM 955 C SER A 62 6.914 -10.654 1.137 1.00 0.00 C ATOM 956 O SER A 62 7.278 -11.828 1.174 1.00 0.00 O ATOM 957 CB SER A 62 7.929 -9.040 2.772 1.00 0.00 C ATOM 958 OG SER A 62 9.147 -9.359 3.439 1.00 0.00 O ATOM 0 H SER A 62 7.281 -7.583 0.857 1.00 0.00 H new ATOM 0 HA SER A 62 8.925 -9.893 1.088 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.774 -7.961 2.797 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.094 -9.494 3.305 1.00 0.00 H new ATOM 0 HG SER A 62 9.109 -9.034 4.363 1.00 0.00 H new ATOM 964 N VAL A 63 5.664 -10.261 0.945 1.00 0.00 N ATOM 965 CA VAL A 63 4.596 -11.228 0.757 1.00 0.00 C ATOM 966 C VAL A 63 4.922 -12.113 -0.448 1.00 0.00 C ATOM 967 O VAL A 63 5.005 -11.628 -1.575 1.00 0.00 O ATOM 968 CB VAL A 63 3.253 -10.507 0.623 1.00 0.00 C ATOM 969 CG1 VAL A 63 2.188 -11.435 0.036 1.00 0.00 C ATOM 970 CG2 VAL A 63 2.801 -9.936 1.969 1.00 0.00 C ATOM 0 H VAL A 63 5.366 -9.286 0.916 1.00 0.00 H new ATOM 0 HA VAL A 63 4.514 -11.879 1.627 1.00 0.00 H new ATOM 0 HB VAL A 63 3.388 -9.674 -0.067 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.244 -10.897 -0.048 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.503 -11.772 -0.951 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.057 -12.298 0.689 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.844 -9.429 1.846 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.692 -10.746 2.690 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.544 -9.226 2.331 1.00 0.00 H new ATOM 980 N ASP A 64 5.098 -13.396 -0.169 1.00 0.00 N ATOM 981 CA ASP A 64 5.413 -14.353 -1.216 1.00 0.00 C ATOM 982 C ASP A 64 4.149 -14.652 -2.025 1.00 0.00 C ATOM 983 O ASP A 64 3.048 -14.280 -1.623 1.00 0.00 O ATOM 984 CB ASP A 64 5.918 -15.671 -0.624 1.00 0.00 C ATOM 985 CG ASP A 64 6.662 -16.578 -1.606 1.00 0.00 C ATOM 986 OD1 ASP A 64 7.387 -16.019 -2.457 1.00 0.00 O ATOM 987 OD2 ASP A 64 6.488 -17.810 -1.484 1.00 0.00 O ATOM 0 H ASP A 64 5.028 -13.795 0.767 1.00 0.00 H new ATOM 0 HA ASP A 64 6.189 -13.920 -1.846 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.580 -15.446 0.212 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.068 -16.219 -0.219 1.00 0.00 H new ATOM 992 N THR A 65 4.350 -15.322 -3.151 1.00 0.00 N ATOM 993 CA THR A 65 3.240 -15.675 -4.020 1.00 0.00 C ATOM 994 C THR A 65 3.296 -17.161 -4.378 1.00 0.00 C ATOM 995 O THR A 65 2.332 -17.892 -4.159 1.00 0.00 O ATOM 996 CB THR A 65 3.284 -14.753 -5.240 1.00 0.00 C ATOM 997 OG1 THR A 65 4.518 -15.075 -5.875 1.00 0.00 O ATOM 998 CG2 THR A 65 3.436 -13.280 -4.856 1.00 0.00 C ATOM 0 H THR A 65 5.265 -15.629 -3.481 1.00 0.00 H new ATOM 0 HA THR A 65 2.283 -15.530 -3.519 1.00 0.00 H new ATOM 0 HB THR A 65 2.374 -14.883 -5.826 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.626 -14.523 -6.678 1.00 0.00 H new ATOM 0 HG21 THR A 65 3.462 -12.669 -5.759 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.592 -12.976 -4.237 1.00 0.00 H new ATOM 0 HG23 THR A 65 4.363 -13.143 -4.299 1.00 0.00 H new ATOM 1006 N GLU A 66 4.434 -17.563 -4.924 1.00 0.00 N ATOM 1007 CA GLU A 66 4.628 -18.949 -5.315 1.00 0.00 C ATOM 1008 C GLU A 66 3.736 -19.293 -6.510 1.00 0.00 C ATOM 1009 O GLU A 66 3.195 -20.394 -6.588 1.00 0.00 O ATOM 1010 CB GLU A 66 4.360 -19.893 -4.141 1.00 0.00 C ATOM 1011 CG GLU A 66 5.442 -20.970 -4.046 1.00 0.00 C ATOM 1012 CD GLU A 66 4.855 -22.294 -3.550 1.00 0.00 C ATOM 1013 OE1 GLU A 66 4.556 -22.363 -2.339 1.00 0.00 O ATOM 1014 OE2 GLU A 66 4.720 -23.206 -4.394 1.00 0.00 O ATOM 0 H GLU A 66 5.231 -16.953 -5.105 1.00 0.00 H new ATOM 0 HA GLU A 66 5.668 -19.080 -5.613 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.326 -19.324 -3.212 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.384 -20.363 -4.263 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.902 -21.115 -5.023 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.230 -20.641 -3.368 1.00 0.00 H new ATOM 1021 N GLY A 67 3.611 -18.330 -7.411 1.00 0.00 N ATOM 1022 CA GLY A 67 2.794 -18.517 -8.598 1.00 0.00 C ATOM 1023 C GLY A 67 1.455 -19.168 -8.245 1.00 0.00 C ATOM 1024 O GLY A 67 1.181 -20.294 -8.659 1.00 0.00 O ATOM 0 H GLY A 67 4.062 -17.418 -7.343 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.619 -17.555 -9.079 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.327 -19.140 -9.316 1.00 0.00 H new ATOM 1028 N LYS A 68 0.658 -18.433 -7.484 1.00 0.00 N ATOM 1029 CA LYS A 68 -0.645 -18.925 -7.071 1.00 0.00 C ATOM 1030 C LYS A 68 -1.737 -18.094 -7.748 1.00 0.00 C ATOM 1031 O LYS A 68 -2.809 -18.610 -8.063 1.00 0.00 O ATOM 1032 CB LYS A 68 -0.749 -18.950 -5.545 1.00 0.00 C ATOM 1033 CG LYS A 68 0.160 -20.028 -4.951 1.00 0.00 C ATOM 1034 CD LYS A 68 -0.143 -20.244 -3.467 1.00 0.00 C ATOM 1035 CE LYS A 68 0.761 -21.328 -2.875 1.00 0.00 C ATOM 1036 NZ LYS A 68 -0.044 -22.331 -2.143 1.00 0.00 N ATOM 0 H LYS A 68 0.890 -17.500 -7.143 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.782 -19.957 -7.394 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.474 -17.975 -5.142 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.782 -19.137 -5.250 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.023 -20.963 -5.494 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.203 -19.737 -5.074 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.001 -19.310 -2.923 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.188 -20.529 -3.343 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.324 -21.815 -3.671 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.489 -20.875 -2.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.585 -23.059 -1.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.562 -21.864 -1.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.721 -22.775 -2.795 1.00 0.00 H new ATOM 1050 N GLY A 69 -1.428 -16.823 -7.953 1.00 0.00 N ATOM 1051 CA GLY A 69 -2.369 -15.916 -8.587 1.00 0.00 C ATOM 1052 C GLY A 69 -3.231 -15.203 -7.544 1.00 0.00 C ATOM 1053 O GLY A 69 -3.170 -13.981 -7.413 1.00 0.00 O ATOM 0 H GLY A 69 -0.538 -16.399 -7.691 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.827 -15.180 -9.180 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -3.008 -16.471 -9.274 1.00 0.00 H new ATOM 1057 N ASP A 70 -4.014 -15.996 -6.827 1.00 0.00 N ATOM 1058 CA ASP A 70 -4.888 -15.455 -5.799 1.00 0.00 C ATOM 1059 C ASP A 70 -4.150 -14.353 -5.038 1.00 0.00 C ATOM 1060 O ASP A 70 -4.693 -13.270 -4.825 1.00 0.00 O ATOM 1061 CB ASP A 70 -5.290 -16.536 -4.794 1.00 0.00 C ATOM 1062 CG ASP A 70 -5.750 -16.014 -3.432 1.00 0.00 C ATOM 1063 OD1 ASP A 70 -6.372 -14.929 -3.421 1.00 0.00 O ATOM 1064 OD2 ASP A 70 -5.471 -16.711 -2.433 1.00 0.00 O ATOM 0 H ASP A 70 -4.062 -17.009 -6.937 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.782 -15.065 -6.286 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.092 -17.133 -5.227 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.442 -17.204 -4.643 1.00 0.00 H new ATOM 1069 N ILE A 71 -2.923 -14.666 -4.647 1.00 0.00 N ATOM 1070 CA ILE A 71 -2.105 -13.715 -3.914 1.00 0.00 C ATOM 1071 C ILE A 71 -1.442 -12.752 -4.900 1.00 0.00 C ATOM 1072 O ILE A 71 -1.568 -11.536 -4.766 1.00 0.00 O ATOM 1073 CB ILE A 71 -1.113 -14.448 -3.009 1.00 0.00 C ATOM 1074 CG1 ILE A 71 -1.840 -15.390 -2.047 1.00 0.00 C ATOM 1075 CG2 ILE A 71 -0.211 -13.458 -2.269 1.00 0.00 C ATOM 1076 CD1 ILE A 71 -0.897 -16.474 -1.523 1.00 0.00 C ATOM 0 H ILE A 71 -2.476 -15.565 -4.824 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.724 -13.113 -3.249 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.469 -15.064 -3.637 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.245 -14.820 -1.211 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.685 -15.853 -2.556 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.485 -14.005 -1.633 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.349 -12.865 -2.992 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.823 -12.798 -1.654 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.439 -17.130 -0.842 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.513 -17.058 -2.360 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.066 -16.008 -0.994 1.00 0.00 H new ATOM 1088 N GLN A 72 -0.750 -13.332 -5.870 1.00 0.00 N ATOM 1089 CA GLN A 72 -0.067 -12.540 -6.879 1.00 0.00 C ATOM 1090 C GLN A 72 -0.950 -11.373 -7.326 1.00 0.00 C ATOM 1091 O GLN A 72 -0.481 -10.241 -7.435 1.00 0.00 O ATOM 1092 CB GLN A 72 0.342 -13.406 -8.072 1.00 0.00 C ATOM 1093 CG GLN A 72 1.838 -13.268 -8.362 1.00 0.00 C ATOM 1094 CD GLN A 72 2.077 -12.823 -9.806 1.00 0.00 C ATOM 1095 OE1 GLN A 72 1.438 -13.282 -10.739 1.00 0.00 O ATOM 1096 NE2 GLN A 72 3.031 -11.906 -9.938 1.00 0.00 N ATOM 0 H GLN A 72 -0.648 -14.341 -5.979 1.00 0.00 H new ATOM 0 HA GLN A 72 0.843 -12.133 -6.438 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.102 -14.449 -7.868 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -0.231 -13.114 -8.952 1.00 0.00 H new ATOM 0 HG2 GLN A 72 2.280 -12.545 -7.677 1.00 0.00 H new ATOM 0 HG3 GLN A 72 2.336 -14.221 -8.184 1.00 0.00 H new ATOM 0 HE21 GLN A 72 3.527 -11.564 -9.115 1.00 0.00 H new ATOM 0 HE22 GLN A 72 3.266 -11.544 -10.862 1.00 0.00 H new ATOM 1105 N GLN A 73 -2.213 -11.689 -7.571 1.00 0.00 N ATOM 1106 CA GLN A 73 -3.166 -10.681 -8.004 1.00 0.00 C ATOM 1107 C GLN A 73 -3.293 -9.582 -6.947 1.00 0.00 C ATOM 1108 O GLN A 73 -3.214 -8.396 -7.266 1.00 0.00 O ATOM 1109 CB GLN A 73 -4.528 -11.308 -8.308 1.00 0.00 C ATOM 1110 CG GLN A 73 -4.860 -11.203 -9.798 1.00 0.00 C ATOM 1111 CD GLN A 73 -4.534 -12.508 -10.526 1.00 0.00 C ATOM 1112 OE1 GLN A 73 -5.240 -13.498 -10.426 1.00 0.00 O ATOM 1113 NE2 GLN A 73 -3.427 -12.455 -11.262 1.00 0.00 N ATOM 0 H GLN A 73 -2.599 -12.629 -7.478 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.796 -10.232 -8.925 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.526 -12.355 -8.005 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -5.301 -10.809 -7.724 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -5.917 -10.967 -9.923 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -4.296 -10.383 -10.243 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.882 -11.594 -11.302 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -3.123 -13.276 -11.786 1.00 0.00 H new ATOM 1122 N ALA A 74 -3.486 -10.014 -5.710 1.00 0.00 N ATOM 1123 CA ALA A 74 -3.624 -9.082 -4.604 1.00 0.00 C ATOM 1124 C ALA A 74 -2.322 -8.295 -4.440 1.00 0.00 C ATOM 1125 O ALA A 74 -2.315 -7.070 -4.549 1.00 0.00 O ATOM 1126 CB ALA A 74 -4.005 -9.847 -3.335 1.00 0.00 C ATOM 0 H ALA A 74 -3.550 -10.998 -5.449 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.420 -8.365 -4.804 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.108 -9.147 -2.506 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.951 -10.365 -3.493 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.227 -10.574 -3.101 1.00 0.00 H new ATOM 1132 N ARG A 75 -1.251 -9.031 -4.183 1.00 0.00 N ATOM 1133 CA ARG A 75 0.054 -8.417 -4.003 1.00 0.00 C ATOM 1134 C ARG A 75 0.274 -7.324 -5.050 1.00 0.00 C ATOM 1135 O ARG A 75 0.290 -6.139 -4.721 1.00 0.00 O ATOM 1136 CB ARG A 75 1.171 -9.456 -4.118 1.00 0.00 C ATOM 1137 CG ARG A 75 2.343 -9.105 -3.198 1.00 0.00 C ATOM 1138 CD ARG A 75 3.667 -9.600 -3.783 1.00 0.00 C ATOM 1139 NE ARG A 75 4.584 -8.458 -3.996 1.00 0.00 N ATOM 1140 CZ ARG A 75 4.594 -7.698 -5.099 1.00 0.00 C ATOM 1141 NH1 ARG A 75 3.736 -7.952 -6.096 1.00 0.00 N ATOM 1142 NH2 ARG A 75 5.462 -6.682 -5.205 1.00 0.00 N ATOM 0 H ARG A 75 -1.260 -10.047 -4.095 1.00 0.00 H new ATOM 0 HA ARG A 75 0.081 -7.980 -3.005 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.784 -10.442 -3.860 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.518 -9.510 -5.150 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.386 -8.025 -3.054 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.186 -9.552 -2.216 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.124 -10.324 -3.108 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.487 -10.114 -4.727 1.00 0.00 H new ATOM 0 HE ARG A 75 5.250 -8.236 -3.256 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.075 -8.724 -6.015 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.744 -7.373 -6.936 1.00 0.00 H new ATOM 0 HH21 ARG A 75 6.115 -6.488 -4.446 1.00 0.00 H new ATOM 0 HH22 ARG A 75 5.470 -6.103 -6.045 1.00 0.00 H new ATOM 1156 N LYS A 76 0.439 -7.760 -6.290 1.00 0.00 N ATOM 1157 CA LYS A 76 0.658 -6.833 -7.387 1.00 0.00 C ATOM 1158 C LYS A 76 -0.316 -5.660 -7.260 1.00 0.00 C ATOM 1159 O LYS A 76 0.092 -4.501 -7.312 1.00 0.00 O ATOM 1160 CB LYS A 76 0.571 -7.562 -8.730 1.00 0.00 C ATOM 1161 CG LYS A 76 -0.851 -7.508 -9.292 1.00 0.00 C ATOM 1162 CD LYS A 76 -0.912 -8.126 -10.690 1.00 0.00 C ATOM 1163 CE LYS A 76 -1.445 -7.120 -11.712 1.00 0.00 C ATOM 1164 NZ LYS A 76 -0.613 -7.135 -12.936 1.00 0.00 N ATOM 0 H LYS A 76 0.425 -8.744 -6.559 1.00 0.00 H new ATOM 0 HA LYS A 76 1.665 -6.418 -7.340 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.264 -7.109 -9.439 1.00 0.00 H new ATOM 0 HB3 LYS A 76 0.877 -8.601 -8.605 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.530 -8.040 -8.625 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.191 -6.473 -9.333 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.082 -8.460 -10.987 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -1.553 -9.008 -10.674 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.478 -7.361 -11.964 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.448 -6.120 -11.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.988 -6.447 -13.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.366 -6.883 -12.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.632 -8.086 -13.357 1.00 0.00 H new ATOM 1178 N ARG A 77 -1.586 -6.002 -7.096 1.00 0.00 N ATOM 1179 CA ARG A 77 -2.622 -4.992 -6.961 1.00 0.00 C ATOM 1180 C ARG A 77 -2.302 -4.057 -5.793 1.00 0.00 C ATOM 1181 O ARG A 77 -2.556 -2.856 -5.867 1.00 0.00 O ATOM 1182 CB ARG A 77 -3.991 -5.634 -6.732 1.00 0.00 C ATOM 1183 CG ARG A 77 -4.586 -6.141 -8.048 1.00 0.00 C ATOM 1184 CD ARG A 77 -5.359 -5.033 -8.764 1.00 0.00 C ATOM 1185 NE ARG A 77 -5.953 -5.556 -10.014 1.00 0.00 N ATOM 1186 CZ ARG A 77 -7.023 -6.361 -10.059 1.00 0.00 C ATOM 1187 NH1 ARG A 77 -7.623 -6.740 -8.922 1.00 0.00 N ATOM 1188 NH2 ARG A 77 -7.493 -6.787 -11.239 1.00 0.00 N ATOM 0 H ARG A 77 -1.921 -6.965 -7.054 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.652 -4.422 -7.889 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.896 -6.462 -6.029 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.666 -4.908 -6.279 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -3.789 -6.508 -8.694 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.250 -6.983 -7.851 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -6.143 -4.647 -8.113 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.692 -4.200 -8.989 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.520 -5.287 -10.898 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -7.265 -6.416 -8.024 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -8.438 -7.353 -8.955 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.036 -6.499 -12.104 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -8.308 -7.400 -11.272 1.00 0.00 H new ATOM 1202 N ALA A 78 -1.750 -4.644 -4.741 1.00 0.00 N ATOM 1203 CA ALA A 78 -1.394 -3.879 -3.558 1.00 0.00 C ATOM 1204 C ALA A 78 -0.137 -3.057 -3.848 1.00 0.00 C ATOM 1205 O ALA A 78 -0.050 -1.892 -3.461 1.00 0.00 O ATOM 1206 CB ALA A 78 -1.209 -4.829 -2.373 1.00 0.00 C ATOM 0 H ALA A 78 -1.541 -5.641 -4.683 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.191 -3.183 -3.296 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.942 -4.256 -1.485 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.138 -5.368 -2.191 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.415 -5.541 -2.598 1.00 0.00 H new ATOM 1212 N ALA A 79 0.806 -3.694 -4.527 1.00 0.00 N ATOM 1213 CA ALA A 79 2.054 -3.036 -4.873 1.00 0.00 C ATOM 1214 C ALA A 79 1.749 -1.729 -5.608 1.00 0.00 C ATOM 1215 O ALA A 79 2.386 -0.708 -5.355 1.00 0.00 O ATOM 1216 CB ALA A 79 2.918 -3.985 -5.706 1.00 0.00 C ATOM 0 H ALA A 79 0.730 -4.660 -4.847 1.00 0.00 H new ATOM 0 HA ALA A 79 2.618 -2.786 -3.974 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.854 -3.491 -5.966 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.130 -4.885 -5.129 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.386 -4.256 -6.618 1.00 0.00 H new ATOM 1222 N GLN A 80 0.775 -1.803 -6.503 1.00 0.00 N ATOM 1223 CA GLN A 80 0.378 -0.639 -7.276 1.00 0.00 C ATOM 1224 C GLN A 80 -0.439 0.321 -6.408 1.00 0.00 C ATOM 1225 O GLN A 80 -0.222 1.531 -6.442 1.00 0.00 O ATOM 1226 CB GLN A 80 -0.404 -1.050 -8.525 1.00 0.00 C ATOM 1227 CG GLN A 80 0.507 -1.750 -9.536 1.00 0.00 C ATOM 1228 CD GLN A 80 -0.242 -2.042 -10.838 1.00 0.00 C ATOM 1229 OE1 GLN A 80 -0.733 -1.153 -11.514 1.00 0.00 O ATOM 1230 NE2 GLN A 80 -0.302 -3.333 -11.150 1.00 0.00 N ATOM 0 H GLN A 80 0.249 -2.652 -6.710 1.00 0.00 H new ATOM 0 HA GLN A 80 1.279 -0.122 -7.606 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -1.221 -1.715 -8.245 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -0.853 -0.169 -8.984 1.00 0.00 H new ATOM 0 HG2 GLN A 80 1.375 -1.124 -9.744 1.00 0.00 H new ATOM 0 HG3 GLN A 80 0.881 -2.681 -9.110 1.00 0.00 H new ATOM 0 HE21 GLN A 80 0.131 -4.026 -10.539 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -0.781 -3.631 -12.000 1.00 0.00 H new ATOM 1239 N GLU A 81 -1.361 -0.256 -5.652 1.00 0.00 N ATOM 1240 CA GLU A 81 -2.212 0.533 -4.777 1.00 0.00 C ATOM 1241 C GLU A 81 -1.362 1.445 -3.890 1.00 0.00 C ATOM 1242 O GLU A 81 -1.488 2.667 -3.948 1.00 0.00 O ATOM 1243 CB GLU A 81 -3.115 -0.367 -3.932 1.00 0.00 C ATOM 1244 CG GLU A 81 -4.570 -0.273 -4.394 1.00 0.00 C ATOM 1245 CD GLU A 81 -4.730 -0.810 -5.818 1.00 0.00 C ATOM 1246 OE1 GLU A 81 -4.369 -0.061 -6.750 1.00 0.00 O ATOM 1247 OE2 GLU A 81 -5.209 -1.958 -5.941 1.00 0.00 O ATOM 0 H GLU A 81 -1.538 -1.260 -5.627 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.855 1.158 -5.396 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.773 -1.400 -4.002 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.043 -0.078 -2.883 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.208 -0.838 -3.715 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -4.902 0.765 -4.354 1.00 0.00 H new ATOM 1254 N THR A 82 -0.513 0.815 -3.091 1.00 0.00 N ATOM 1255 CA THR A 82 0.358 1.554 -2.193 1.00 0.00 C ATOM 1256 C THR A 82 1.034 2.708 -2.936 1.00 0.00 C ATOM 1257 O THR A 82 0.854 3.871 -2.578 1.00 0.00 O ATOM 1258 CB THR A 82 1.349 0.565 -1.576 1.00 0.00 C ATOM 1259 OG1 THR A 82 0.631 -0.016 -0.492 1.00 0.00 O ATOM 1260 CG2 THR A 82 2.534 1.265 -0.906 1.00 0.00 C ATOM 0 H THR A 82 -0.410 -0.199 -3.047 1.00 0.00 H new ATOM 0 HA THR A 82 -0.208 2.017 -1.384 1.00 0.00 H new ATOM 0 HB THR A 82 1.716 -0.111 -2.349 1.00 0.00 H new ATOM 0 HG1 THR A 82 -0.258 -0.292 -0.799 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.207 0.518 -0.484 1.00 0.00 H new ATOM 0 HG22 THR A 82 3.070 1.860 -1.645 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.170 1.916 -0.111 1.00 0.00 H new ATOM 1268 N GLU A 83 1.797 2.347 -3.956 1.00 0.00 N ATOM 1269 CA GLU A 83 2.501 3.338 -4.753 1.00 0.00 C ATOM 1270 C GLU A 83 1.549 4.464 -5.161 1.00 0.00 C ATOM 1271 O GLU A 83 1.877 5.641 -5.020 1.00 0.00 O ATOM 1272 CB GLU A 83 3.149 2.695 -5.981 1.00 0.00 C ATOM 1273 CG GLU A 83 4.117 1.584 -5.571 1.00 0.00 C ATOM 1274 CD GLU A 83 5.570 2.045 -5.707 1.00 0.00 C ATOM 1275 OE1 GLU A 83 6.065 2.655 -4.735 1.00 0.00 O ATOM 1276 OE2 GLU A 83 6.152 1.778 -6.780 1.00 0.00 O ATOM 0 H GLU A 83 1.944 1.381 -4.250 1.00 0.00 H new ATOM 0 HA GLU A 83 3.298 3.765 -4.145 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.376 2.287 -6.633 1.00 0.00 H new ATOM 0 HB3 GLU A 83 3.682 3.453 -6.555 1.00 0.00 H new ATOM 0 HG2 GLU A 83 3.921 1.288 -4.541 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.951 0.704 -6.193 1.00 0.00 H new ATOM 1283 N ARG A 84 0.388 4.062 -5.659 1.00 0.00 N ATOM 1284 CA ARG A 84 -0.614 5.023 -6.089 1.00 0.00 C ATOM 1285 C ARG A 84 -0.715 6.171 -5.083 1.00 0.00 C ATOM 1286 O ARG A 84 -0.380 7.311 -5.400 1.00 0.00 O ATOM 1287 CB ARG A 84 -1.985 4.360 -6.236 1.00 0.00 C ATOM 1288 CG ARG A 84 -2.657 4.775 -7.547 1.00 0.00 C ATOM 1289 CD ARG A 84 -3.868 3.890 -7.846 1.00 0.00 C ATOM 1290 NE ARG A 84 -3.776 3.355 -9.223 1.00 0.00 N ATOM 1291 CZ ARG A 84 -4.703 2.567 -9.786 1.00 0.00 C ATOM 1292 NH1 ARG A 84 -5.796 2.219 -9.094 1.00 0.00 N ATOM 1293 NH2 ARG A 84 -4.536 2.129 -11.041 1.00 0.00 N ATOM 0 H ARG A 84 0.119 3.085 -5.774 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.305 5.412 -7.059 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -1.874 3.276 -6.207 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.619 4.638 -5.394 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -2.970 5.817 -7.485 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.940 4.705 -8.365 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -3.914 3.069 -7.130 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -4.787 4.465 -7.731 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.956 3.601 -9.778 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -5.923 2.554 -8.139 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -6.501 1.619 -9.522 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -3.704 2.395 -11.568 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -5.241 1.529 -11.470 1.00 0.00 H new ATOM 1307 N LEU A 85 -1.179 5.830 -3.889 1.00 0.00 N ATOM 1308 CA LEU A 85 -1.329 6.818 -2.834 1.00 0.00 C ATOM 1309 C LEU A 85 -0.023 7.601 -2.686 1.00 0.00 C ATOM 1310 O LEU A 85 -0.029 8.831 -2.697 1.00 0.00 O ATOM 1311 CB LEU A 85 -1.797 6.151 -1.539 1.00 0.00 C ATOM 1312 CG LEU A 85 -3.310 6.096 -1.321 1.00 0.00 C ATOM 1313 CD1 LEU A 85 -3.904 7.504 -1.244 1.00 0.00 C ATOM 1314 CD2 LEU A 85 -3.988 5.246 -2.397 1.00 0.00 C ATOM 0 H LEU A 85 -1.456 4.883 -3.629 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.105 7.538 -3.093 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.410 5.132 -1.518 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.348 6.680 -0.698 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.500 5.613 -0.362 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.981 7.437 -1.089 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.451 8.045 -0.413 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.704 8.035 -2.175 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.063 5.223 -2.219 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.792 5.677 -3.379 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.593 4.231 -2.361 1.00 0.00 H new ATOM 1326 N LEU A 86 1.064 6.857 -2.551 1.00 0.00 N ATOM 1327 CA LEU A 86 2.375 7.466 -2.401 1.00 0.00 C ATOM 1328 C LEU A 86 2.495 8.651 -3.362 1.00 0.00 C ATOM 1329 O LEU A 86 2.891 9.743 -2.960 1.00 0.00 O ATOM 1330 CB LEU A 86 3.476 6.419 -2.576 1.00 0.00 C ATOM 1331 CG LEU A 86 4.439 6.255 -1.398 1.00 0.00 C ATOM 1332 CD1 LEU A 86 5.212 4.939 -1.500 1.00 0.00 C ATOM 1333 CD2 LEU A 86 5.374 7.461 -1.283 1.00 0.00 C ATOM 0 H LEU A 86 1.064 5.837 -2.542 1.00 0.00 H new ATOM 0 HA LEU A 86 2.499 7.859 -1.392 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.006 5.455 -2.772 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.057 6.676 -3.462 1.00 0.00 H new ATOM 0 HG LEU A 86 3.852 6.213 -0.481 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.889 4.848 -0.651 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.511 4.104 -1.497 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.787 4.926 -2.426 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.048 7.320 -0.438 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.956 7.559 -2.199 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.785 8.365 -1.129 1.00 0.00 H new ATOM 1345 N LYS A 87 2.145 8.393 -4.614 1.00 0.00 N ATOM 1346 CA LYS A 87 2.208 9.425 -5.636 1.00 0.00 C ATOM 1347 C LYS A 87 1.329 10.605 -5.218 1.00 0.00 C ATOM 1348 O LYS A 87 1.787 11.746 -5.191 1.00 0.00 O ATOM 1349 CB LYS A 87 1.849 8.845 -7.005 1.00 0.00 C ATOM 1350 CG LYS A 87 3.000 8.007 -7.565 1.00 0.00 C ATOM 1351 CD LYS A 87 3.788 8.792 -8.617 1.00 0.00 C ATOM 1352 CE LYS A 87 3.250 8.517 -10.023 1.00 0.00 C ATOM 1353 NZ LYS A 87 4.342 8.587 -11.019 1.00 0.00 N ATOM 0 H LYS A 87 1.817 7.485 -4.944 1.00 0.00 H new ATOM 0 HA LYS A 87 3.225 9.804 -5.733 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.954 8.229 -6.919 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.614 9.654 -7.696 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.665 7.709 -6.755 1.00 0.00 H new ATOM 0 HG3 LYS A 87 2.607 7.092 -8.008 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.726 9.859 -8.402 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.842 8.518 -8.567 1.00 0.00 H new ATOM 0 HE2 LYS A 87 2.784 7.532 -10.054 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.476 9.244 -10.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 3.959 8.398 -11.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.769 9.535 -11.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.067 7.877 -10.790 1.00 0.00 H new ATOM 1367 N GLU A 88 0.081 10.290 -4.903 1.00 0.00 N ATOM 1368 CA GLU A 88 -0.867 11.310 -4.487 1.00 0.00 C ATOM 1369 C GLU A 88 -0.287 12.136 -3.337 1.00 0.00 C ATOM 1370 O GLU A 88 -0.474 13.351 -3.284 1.00 0.00 O ATOM 1371 CB GLU A 88 -2.207 10.686 -4.094 1.00 0.00 C ATOM 1372 CG GLU A 88 -2.867 10.005 -5.294 1.00 0.00 C ATOM 1373 CD GLU A 88 -3.220 11.025 -6.379 1.00 0.00 C ATOM 1374 OE1 GLU A 88 -3.761 12.087 -6.004 1.00 0.00 O ATOM 1375 OE2 GLU A 88 -2.941 10.719 -7.558 1.00 0.00 O ATOM 0 H GLU A 88 -0.296 9.342 -4.928 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.048 11.976 -5.331 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.054 9.958 -3.297 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.869 11.456 -3.699 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -2.195 9.251 -5.704 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.769 9.486 -4.971 1.00 0.00 H new ATOM 1382 N LEU A 89 0.404 11.443 -2.443 1.00 0.00 N ATOM 1383 CA LEU A 89 1.011 12.097 -1.297 1.00 0.00 C ATOM 1384 C LEU A 89 1.898 13.247 -1.781 1.00 0.00 C ATOM 1385 O LEU A 89 1.643 14.408 -1.464 1.00 0.00 O ATOM 1386 CB LEU A 89 1.748 11.077 -0.426 1.00 0.00 C ATOM 1387 CG LEU A 89 2.245 11.586 0.928 1.00 0.00 C ATOM 1388 CD1 LEU A 89 1.261 12.591 1.531 1.00 0.00 C ATOM 1389 CD2 LEU A 89 2.530 10.422 1.880 1.00 0.00 C ATOM 0 H LEU A 89 0.557 10.436 -2.490 1.00 0.00 H new ATOM 0 HA LEU A 89 0.244 12.533 -0.657 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.084 10.230 -0.252 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.604 10.701 -0.987 1.00 0.00 H new ATOM 0 HG LEU A 89 3.187 12.112 0.770 1.00 0.00 H new ATOM 0 HD11 LEU A 89 1.638 12.937 2.493 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.151 13.441 0.858 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.292 12.112 1.672 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.882 10.811 2.835 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.617 9.848 2.036 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.295 9.777 1.447 1.00 0.00 H new ATOM 1401 N GLU A 90 2.920 12.883 -2.542 1.00 0.00 N ATOM 1402 CA GLU A 90 3.845 13.870 -3.073 1.00 0.00 C ATOM 1403 C GLU A 90 3.086 15.117 -3.531 1.00 0.00 C ATOM 1404 O GLU A 90 3.369 16.223 -3.073 1.00 0.00 O ATOM 1405 CB GLU A 90 4.676 13.283 -4.216 1.00 0.00 C ATOM 1406 CG GLU A 90 5.695 12.271 -3.689 1.00 0.00 C ATOM 1407 CD GLU A 90 6.284 11.441 -4.832 1.00 0.00 C ATOM 1408 OE1 GLU A 90 5.483 10.765 -5.514 1.00 0.00 O ATOM 1409 OE2 GLU A 90 7.522 11.500 -4.997 1.00 0.00 O ATOM 0 H GLU A 90 3.128 11.919 -2.803 1.00 0.00 H new ATOM 0 HA GLU A 90 4.533 14.159 -2.278 1.00 0.00 H new ATOM 0 HB2 GLU A 90 4.018 12.799 -4.938 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.193 14.085 -4.743 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.495 12.794 -3.165 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.217 11.612 -2.965 1.00 0.00 H new ATOM 1416 N GLN A 91 2.137 14.897 -4.429 1.00 0.00 N ATOM 1417 CA GLN A 91 1.335 15.989 -4.954 1.00 0.00 C ATOM 1418 C GLN A 91 0.549 16.660 -3.826 1.00 0.00 C ATOM 1419 O GLN A 91 0.754 17.838 -3.538 1.00 0.00 O ATOM 1420 CB GLN A 91 0.398 15.499 -6.059 1.00 0.00 C ATOM 1421 CG GLN A 91 0.690 16.211 -7.382 1.00 0.00 C ATOM 1422 CD GLN A 91 0.141 17.639 -7.369 1.00 0.00 C ATOM 1423 OE1 GLN A 91 0.871 18.611 -7.261 1.00 0.00 O ATOM 1424 NE2 GLN A 91 -1.182 17.711 -7.484 1.00 0.00 N ATOM 0 H GLN A 91 1.905 13.978 -4.807 1.00 0.00 H new ATOM 0 HA GLN A 91 2.005 16.728 -5.393 1.00 0.00 H new ATOM 0 HB2 GLN A 91 0.514 14.423 -6.188 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -0.637 15.676 -5.768 1.00 0.00 H new ATOM 0 HG2 GLN A 91 1.766 16.233 -7.558 1.00 0.00 H new ATOM 0 HG3 GLN A 91 0.244 15.653 -8.205 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -1.734 16.857 -7.571 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -1.645 18.620 -7.485 1.00 0.00 H new ATOM 1433 N ASN A 92 -0.333 15.881 -3.218 1.00 0.00 N ATOM 1434 CA ASN A 92 -1.151 16.386 -2.128 1.00 0.00 C ATOM 1435 C ASN A 92 -0.295 17.276 -1.224 1.00 0.00 C ATOM 1436 O ASN A 92 -0.772 18.287 -0.712 1.00 0.00 O ATOM 1437 CB ASN A 92 -1.703 15.240 -1.277 1.00 0.00 C ATOM 1438 CG ASN A 92 -3.001 14.691 -1.873 1.00 0.00 C ATOM 1439 OD1 ASN A 92 -3.986 15.393 -2.034 1.00 0.00 O ATOM 1440 ND2 ASN A 92 -2.948 13.401 -2.189 1.00 0.00 N ATOM 0 H ASN A 92 -0.499 14.904 -3.459 1.00 0.00 H new ATOM 0 HA ASN A 92 -1.980 16.946 -2.560 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -0.963 14.442 -1.211 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -1.885 15.591 -0.261 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -3.764 12.941 -2.592 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -2.091 12.871 -2.028 1.00 0.00 H new ATOM 1447 N ALA A 93 0.954 16.867 -1.056 1.00 0.00 N ATOM 1448 CA ALA A 93 1.880 17.614 -0.222 1.00 0.00 C ATOM 1449 C ALA A 93 1.744 19.107 -0.529 1.00 0.00 C ATOM 1450 O ALA A 93 1.187 19.860 0.269 1.00 0.00 O ATOM 1451 CB ALA A 93 3.303 17.100 -0.451 1.00 0.00 C ATOM 0 H ALA A 93 1.346 16.028 -1.483 1.00 0.00 H new ATOM 0 HA ALA A 93 1.647 17.471 0.833 1.00 0.00 H new ATOM 0 HB1 ALA A 93 3.997 17.661 0.175 1.00 0.00 H new ATOM 0 HB2 ALA A 93 3.354 16.042 -0.192 1.00 0.00 H new ATOM 0 HB3 ALA A 93 3.573 17.230 -1.499 1.00 0.00 H new ATOM 1457 N SER A 94 2.262 19.491 -1.686 1.00 0.00 N ATOM 1458 CA SER A 94 2.205 20.880 -2.108 1.00 0.00 C ATOM 1459 C SER A 94 2.839 21.033 -3.492 1.00 0.00 C ATOM 1460 O SER A 94 2.323 21.763 -4.338 1.00 0.00 O ATOM 1461 CB SER A 94 2.908 21.791 -1.099 1.00 0.00 C ATOM 1462 OG SER A 94 2.303 23.079 -1.031 1.00 0.00 O ATOM 0 H SER A 94 2.724 18.864 -2.345 1.00 0.00 H new ATOM 0 HA SER A 94 1.158 21.179 -2.160 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.884 21.327 -0.113 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.957 21.897 -1.376 1.00 0.00 H new ATOM 0 HG SER A 94 2.779 23.630 -0.375 1.00 0.00 H new