USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 594 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 55 THR OG1 : rot 111:sc= 1.3 USER MOD Set 1.2: A 58 THR OG1 : rot 143:sc= 1.08 USER MOD Set 2.1: A 44 ASN : amide:sc= -5.92! C(o=-5.8!,f=-21!) USER MOD Set 2.2: A 65 SER OG : rot 71:sc= 0.0724 USER MOD Single : A 10 SER OG : rot -176:sc= -0.648 USER MOD Single : A 15 GLN : amide:sc= -0.0171 X(o=-0.017,f=0) USER MOD Single : A 16 SER OG : rot 84:sc= 0.884 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= -2.24! USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -175:sc= 0.155! (180deg=0.0912) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -157:sc= -6.94! (180deg=-8.03!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -150:sc= 0.00668 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0245) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -1.53 K(o=-1.5,f=-5.8!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS :FLIP no HE2:sc= -2.88 F(o=-4,f=-2.9) USER MOD Single : A 69 GLN : amide:sc= -0.253 K(o=-0.25,f=-1.8!) USER MOD Single : A 75 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.226) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 130 N SER A 10 13.792 -2.513 10.623 1.00 0.00 N ATOM 131 CA SER A 10 12.729 -3.478 10.845 1.00 0.00 C ATOM 132 C SER A 10 12.369 -4.201 9.548 1.00 0.00 C ATOM 133 O SER A 10 11.566 -3.707 8.757 1.00 0.00 O ATOM 134 CB SER A 10 11.492 -2.785 11.419 1.00 0.00 C ATOM 135 OG SER A 10 10.575 -3.730 11.943 1.00 0.00 O ATOM 0 HA SER A 10 13.087 -4.216 11.563 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.792 -2.091 12.204 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.007 -2.196 10.640 1.00 0.00 H new ATOM 0 HG SER A 10 9.766 -3.267 12.247 1.00 0.00 H new ATOM 141 N PRO A 11 12.958 -5.387 9.312 1.00 0.00 N ATOM 142 CA PRO A 11 12.691 -6.173 8.105 1.00 0.00 C ATOM 143 C PRO A 11 11.253 -6.677 8.046 1.00 0.00 C ATOM 144 O PRO A 11 10.755 -7.040 6.980 1.00 0.00 O ATOM 145 CB PRO A 11 13.666 -7.350 8.199 1.00 0.00 C ATOM 146 CG PRO A 11 14.647 -6.980 9.262 1.00 0.00 C ATOM 147 CD PRO A 11 13.924 -6.054 10.196 1.00 0.00 C ATOM 0 HA PRO A 11 12.823 -5.574 7.204 1.00 0.00 H new ATOM 0 HB2 PRO A 11 13.143 -8.272 8.453 1.00 0.00 H new ATOM 0 HB3 PRO A 11 14.167 -7.520 7.246 1.00 0.00 H new ATOM 0 HG2 PRO A 11 15.002 -7.866 9.789 1.00 0.00 H new ATOM 0 HG3 PRO A 11 15.522 -6.493 8.832 1.00 0.00 H new ATOM 0 HD2 PRO A 11 13.428 -6.597 11.000 1.00 0.00 H new ATOM 0 HD3 PRO A 11 14.603 -5.341 10.664 1.00 0.00 H new ATOM 155 N ASP A 12 10.592 -6.696 9.196 1.00 0.00 N ATOM 156 CA ASP A 12 9.212 -7.153 9.278 1.00 0.00 C ATOM 157 C ASP A 12 8.264 -6.156 8.622 1.00 0.00 C ATOM 158 O ASP A 12 7.166 -6.515 8.196 1.00 0.00 O ATOM 159 CB ASP A 12 8.812 -7.376 10.734 1.00 0.00 C ATOM 160 CG ASP A 12 8.573 -8.839 11.053 1.00 0.00 C ATOM 161 OD1 ASP A 12 9.552 -9.544 11.377 1.00 0.00 O ATOM 162 OD2 ASP A 12 7.407 -9.280 10.978 1.00 0.00 O ATOM 0 H ASP A 12 10.991 -6.399 10.087 1.00 0.00 H new ATOM 0 HA ASP A 12 9.139 -8.098 8.741 1.00 0.00 H new ATOM 0 HB2 ASP A 12 9.595 -6.989 11.386 1.00 0.00 H new ATOM 0 HB3 ASP A 12 7.907 -6.808 10.950 1.00 0.00 H new ATOM 167 N ILE A 13 8.697 -4.905 8.542 1.00 0.00 N ATOM 168 CA ILE A 13 7.892 -3.859 7.936 1.00 0.00 C ATOM 169 C ILE A 13 7.956 -3.944 6.424 1.00 0.00 C ATOM 170 O ILE A 13 6.946 -3.803 5.734 1.00 0.00 O ATOM 171 CB ILE A 13 8.335 -2.465 8.390 1.00 0.00 C ATOM 172 CG1 ILE A 13 8.432 -2.410 9.917 1.00 0.00 C ATOM 173 CG2 ILE A 13 7.373 -1.406 7.868 1.00 0.00 C ATOM 174 CD1 ILE A 13 8.784 -1.040 10.456 1.00 0.00 C ATOM 0 H ILE A 13 9.603 -4.592 8.890 1.00 0.00 H new ATOM 0 HA ILE A 13 6.865 -4.014 8.265 1.00 0.00 H new ATOM 0 HB ILE A 13 9.323 -2.259 7.978 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.480 -2.725 10.344 1.00 0.00 H new ATOM 0 HG13 ILE A 13 9.183 -3.126 10.250 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.702 -0.421 8.199 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.356 -1.435 6.779 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.372 -1.603 8.252 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.835 -1.079 11.544 1.00 0.00 H new ATOM 0 HD12 ILE A 13 9.750 -0.730 10.059 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.021 -0.323 10.154 1.00 0.00 H new ATOM 186 N GLU A 14 9.151 -4.197 5.919 1.00 0.00 N ATOM 187 CA GLU A 14 9.359 -4.328 4.487 1.00 0.00 C ATOM 188 C GLU A 14 8.669 -5.583 3.973 1.00 0.00 C ATOM 189 O GLU A 14 8.298 -5.669 2.803 1.00 0.00 O ATOM 190 CB GLU A 14 10.854 -4.375 4.163 1.00 0.00 C ATOM 191 CG GLU A 14 11.484 -3.002 3.997 1.00 0.00 C ATOM 192 CD GLU A 14 11.433 -2.506 2.566 1.00 0.00 C ATOM 193 OE1 GLU A 14 10.398 -1.928 2.174 1.00 0.00 O ATOM 194 OE2 GLU A 14 12.429 -2.695 1.836 1.00 0.00 O ATOM 0 H GLU A 14 9.994 -4.316 6.481 1.00 0.00 H new ATOM 0 HA GLU A 14 8.927 -3.458 3.992 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.373 -4.910 4.958 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.001 -4.946 3.246 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.970 -2.290 4.643 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.522 -3.040 4.327 1.00 0.00 H new ATOM 201 N GLN A 15 8.490 -6.551 4.866 1.00 0.00 N ATOM 202 CA GLN A 15 7.835 -7.795 4.520 1.00 0.00 C ATOM 203 C GLN A 15 6.342 -7.585 4.379 1.00 0.00 C ATOM 204 O GLN A 15 5.729 -7.999 3.395 1.00 0.00 O ATOM 205 CB GLN A 15 8.129 -8.844 5.568 1.00 0.00 C ATOM 206 CG GLN A 15 9.354 -9.667 5.238 1.00 0.00 C ATOM 207 CD GLN A 15 9.042 -10.851 4.344 1.00 0.00 C ATOM 208 OE1 GLN A 15 8.747 -11.946 4.824 1.00 0.00 O ATOM 209 NE2 GLN A 15 9.107 -10.637 3.035 1.00 0.00 N ATOM 0 H GLN A 15 8.793 -6.491 5.838 1.00 0.00 H new ATOM 0 HA GLN A 15 8.222 -8.142 3.562 1.00 0.00 H new ATOM 0 HB2 GLN A 15 8.271 -8.358 6.533 1.00 0.00 H new ATOM 0 HB3 GLN A 15 7.268 -9.505 5.667 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.092 -9.032 4.748 1.00 0.00 H new ATOM 0 HG3 GLN A 15 9.806 -10.025 6.163 1.00 0.00 H new ATOM 0 HE21 GLN A 15 9.356 -9.713 2.681 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.908 -11.396 2.384 1.00 0.00 H new ATOM 218 N SER A 16 5.771 -6.910 5.362 1.00 0.00 N ATOM 219 CA SER A 16 4.351 -6.604 5.348 1.00 0.00 C ATOM 220 C SER A 16 4.029 -5.729 4.144 1.00 0.00 C ATOM 221 O SER A 16 2.887 -5.672 3.687 1.00 0.00 O ATOM 222 CB SER A 16 3.941 -5.897 6.642 1.00 0.00 C ATOM 223 OG SER A 16 4.714 -6.352 7.739 1.00 0.00 O ATOM 0 H SER A 16 6.270 -6.563 6.181 1.00 0.00 H new ATOM 0 HA SER A 16 3.789 -7.535 5.275 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.066 -4.820 6.527 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.884 -6.076 6.839 1.00 0.00 H new ATOM 0 HG SER A 16 5.558 -5.856 7.772 1.00 0.00 H new ATOM 229 N PHE A 17 5.056 -5.056 3.630 1.00 0.00 N ATOM 230 CA PHE A 17 4.905 -4.191 2.473 1.00 0.00 C ATOM 231 C PHE A 17 4.534 -5.003 1.248 1.00 0.00 C ATOM 232 O PHE A 17 3.607 -4.659 0.516 1.00 0.00 O ATOM 233 CB PHE A 17 6.197 -3.416 2.220 1.00 0.00 C ATOM 234 CG PHE A 17 6.059 -1.929 2.382 1.00 0.00 C ATOM 235 CD1 PHE A 17 5.681 -1.382 3.598 1.00 0.00 C ATOM 236 CD2 PHE A 17 6.315 -1.078 1.319 1.00 0.00 C ATOM 237 CE1 PHE A 17 5.560 -0.014 3.750 1.00 0.00 C ATOM 238 CE2 PHE A 17 6.197 0.291 1.466 1.00 0.00 C ATOM 239 CZ PHE A 17 5.819 0.824 2.682 1.00 0.00 C ATOM 0 H PHE A 17 6.005 -5.097 4.002 1.00 0.00 H new ATOM 0 HA PHE A 17 4.103 -3.481 2.675 1.00 0.00 H new ATOM 0 HB2 PHE A 17 6.965 -3.776 2.905 1.00 0.00 H new ATOM 0 HB3 PHE A 17 6.545 -3.630 1.210 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.479 -2.032 4.436 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.610 -1.489 0.365 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.263 0.400 4.702 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.400 0.944 0.630 1.00 0.00 H new ATOM 0 HZ PHE A 17 5.726 1.894 2.798 1.00 0.00 H new ATOM 249 N GLN A 18 5.258 -6.091 1.037 1.00 0.00 N ATOM 250 CA GLN A 18 4.992 -6.959 -0.098 1.00 0.00 C ATOM 251 C GLN A 18 3.653 -7.654 0.075 1.00 0.00 C ATOM 252 O GLN A 18 2.960 -7.944 -0.897 1.00 0.00 O ATOM 253 CB GLN A 18 6.098 -8.002 -0.269 1.00 0.00 C ATOM 254 CG GLN A 18 5.724 -9.121 -1.231 1.00 0.00 C ATOM 255 CD GLN A 18 6.919 -9.950 -1.660 1.00 0.00 C ATOM 256 OE1 GLN A 18 7.248 -10.956 -1.033 1.00 0.00 O ATOM 257 NE2 GLN A 18 7.575 -9.529 -2.735 1.00 0.00 N ATOM 0 H GLN A 18 6.029 -6.392 1.633 1.00 0.00 H new ATOM 0 HA GLN A 18 4.964 -6.339 -0.994 1.00 0.00 H new ATOM 0 HB2 GLN A 18 7.001 -7.509 -0.629 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.336 -8.432 0.704 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.988 -9.771 -0.757 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.249 -8.692 -2.113 1.00 0.00 H new ATOM 0 HE21 GLN A 18 7.266 -8.689 -3.224 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.387 -10.046 -3.072 1.00 0.00 H new ATOM 266 N GLU A 19 3.300 -7.919 1.322 1.00 0.00 N ATOM 267 CA GLU A 19 2.045 -8.580 1.624 1.00 0.00 C ATOM 268 C GLU A 19 0.878 -7.657 1.334 1.00 0.00 C ATOM 269 O GLU A 19 -0.179 -8.099 0.892 1.00 0.00 O ATOM 270 CB GLU A 19 2.016 -9.046 3.077 1.00 0.00 C ATOM 271 CG GLU A 19 1.883 -10.553 3.231 1.00 0.00 C ATOM 272 CD GLU A 19 3.194 -11.279 3.007 1.00 0.00 C ATOM 273 OE1 GLU A 19 3.570 -11.478 1.832 1.00 0.00 O ATOM 274 OE2 GLU A 19 3.847 -11.649 4.006 1.00 0.00 O ATOM 0 H GLU A 19 3.865 -7.686 2.139 1.00 0.00 H new ATOM 0 HA GLU A 19 1.956 -9.458 0.985 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.929 -8.718 3.573 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.184 -8.562 3.588 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.512 -10.781 4.230 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.141 -10.923 2.523 1.00 0.00 H new ATOM 281 N ALA A 20 1.084 -6.371 1.566 1.00 0.00 N ATOM 282 CA ALA A 20 0.055 -5.385 1.305 1.00 0.00 C ATOM 283 C ALA A 20 0.096 -4.959 -0.153 1.00 0.00 C ATOM 284 O ALA A 20 -0.915 -4.552 -0.725 1.00 0.00 O ATOM 285 CB ALA A 20 0.214 -4.184 2.225 1.00 0.00 C ATOM 0 H ALA A 20 1.955 -5.988 1.934 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.917 -5.835 1.507 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.569 -3.456 2.012 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.136 -4.508 3.263 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.189 -3.726 2.060 1.00 0.00 H new ATOM 291 N LEU A 21 1.275 -5.072 -0.750 1.00 0.00 N ATOM 292 CA LEU A 21 1.465 -4.721 -2.140 1.00 0.00 C ATOM 293 C LEU A 21 1.050 -5.876 -3.038 1.00 0.00 C ATOM 294 O LEU A 21 0.561 -5.674 -4.149 1.00 0.00 O ATOM 295 CB LEU A 21 2.919 -4.353 -2.394 1.00 0.00 C ATOM 296 CG LEU A 21 3.248 -2.863 -2.274 1.00 0.00 C ATOM 297 CD1 LEU A 21 4.694 -2.606 -2.667 1.00 0.00 C ATOM 298 CD2 LEU A 21 2.302 -2.031 -3.129 1.00 0.00 C ATOM 0 H LEU A 21 2.118 -5.408 -0.283 1.00 0.00 H new ATOM 0 HA LEU A 21 0.839 -3.859 -2.371 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.544 -4.904 -1.691 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.192 -4.689 -3.394 1.00 0.00 H new ATOM 0 HG LEU A 21 3.115 -2.564 -1.234 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.912 -1.542 -2.576 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.356 -3.169 -2.009 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.853 -2.922 -3.698 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.554 -0.975 -3.028 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.398 -2.329 -4.173 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.276 -2.192 -2.798 1.00 0.00 H new ATOM 310 N SER A 22 1.244 -7.090 -2.537 1.00 0.00 N ATOM 311 CA SER A 22 0.888 -8.286 -3.278 1.00 0.00 C ATOM 312 C SER A 22 -0.610 -8.530 -3.202 1.00 0.00 C ATOM 313 O SER A 22 -1.219 -9.039 -4.143 1.00 0.00 O ATOM 314 CB SER A 22 1.648 -9.498 -2.735 1.00 0.00 C ATOM 315 OG SER A 22 1.364 -10.660 -3.495 1.00 0.00 O ATOM 0 H SER A 22 1.647 -7.269 -1.617 1.00 0.00 H new ATOM 0 HA SER A 22 1.166 -8.139 -4.322 1.00 0.00 H new ATOM 0 HB2 SER A 22 2.719 -9.299 -2.756 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.375 -9.665 -1.693 1.00 0.00 H new ATOM 0 HG SER A 22 1.863 -11.420 -3.129 1.00 0.00 H new ATOM 321 N ILE A 23 -1.196 -8.158 -2.073 1.00 0.00 N ATOM 322 CA ILE A 23 -2.625 -8.330 -1.865 1.00 0.00 C ATOM 323 C ILE A 23 -3.420 -7.187 -2.499 1.00 0.00 C ATOM 324 O ILE A 23 -4.614 -7.324 -2.765 1.00 0.00 O ATOM 325 CB ILE A 23 -2.964 -8.446 -0.362 1.00 0.00 C ATOM 326 CG1 ILE A 23 -3.172 -9.912 0.022 1.00 0.00 C ATOM 327 CG2 ILE A 23 -4.192 -7.621 0.005 1.00 0.00 C ATOM 328 CD1 ILE A 23 -1.908 -10.740 -0.048 1.00 0.00 C ATOM 0 H ILE A 23 -0.703 -7.735 -1.287 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.912 -9.261 -2.354 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.120 -8.046 0.200 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.573 -9.961 1.034 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.920 -10.350 -0.639 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.398 -7.729 1.070 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.007 -6.572 -0.224 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.050 -7.972 -0.568 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.130 -11.768 0.237 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.517 -10.722 -1.065 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.164 -10.327 0.634 1.00 0.00 H new ATOM 340 N TYR A 24 -2.753 -6.061 -2.734 1.00 0.00 N ATOM 341 CA TYR A 24 -3.399 -4.904 -3.327 1.00 0.00 C ATOM 342 C TYR A 24 -2.702 -4.477 -4.616 1.00 0.00 C ATOM 343 O TYR A 24 -1.826 -3.613 -4.602 1.00 0.00 O ATOM 344 CB TYR A 24 -3.426 -3.747 -2.340 1.00 0.00 C ATOM 345 CG TYR A 24 -4.243 -4.026 -1.100 1.00 0.00 C ATOM 346 CD1 TYR A 24 -5.565 -4.440 -1.195 1.00 0.00 C ATOM 347 CD2 TYR A 24 -3.691 -3.877 0.166 1.00 0.00 C ATOM 348 CE1 TYR A 24 -6.315 -4.697 -0.063 1.00 0.00 C ATOM 349 CE2 TYR A 24 -4.434 -4.133 1.303 1.00 0.00 C ATOM 350 CZ TYR A 24 -5.745 -4.543 1.183 1.00 0.00 C ATOM 351 OH TYR A 24 -6.488 -4.799 2.312 1.00 0.00 O ATOM 0 H TYR A 24 -1.764 -5.929 -2.521 1.00 0.00 H new ATOM 0 HA TYR A 24 -4.423 -5.186 -3.574 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -2.404 -3.509 -2.045 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.828 -2.865 -2.838 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.014 -4.563 -2.169 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.664 -3.556 0.263 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -7.343 -5.017 -0.154 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -3.990 -4.013 2.280 1.00 0.00 H new ATOM 0 HH TYR A 24 -5.938 -4.643 3.108 1.00 0.00 H new ATOM 361 N PRO A 25 -3.089 -5.079 -5.754 1.00 0.00 N ATOM 362 CA PRO A 25 -2.513 -4.767 -7.053 1.00 0.00 C ATOM 363 C PRO A 25 -3.192 -3.566 -7.708 1.00 0.00 C ATOM 364 O PRO A 25 -4.194 -3.060 -7.205 1.00 0.00 O ATOM 365 CB PRO A 25 -2.760 -6.040 -7.874 1.00 0.00 C ATOM 366 CG PRO A 25 -3.687 -6.903 -7.070 1.00 0.00 C ATOM 367 CD PRO A 25 -4.120 -6.110 -5.867 1.00 0.00 C ATOM 0 HA PRO A 25 -1.460 -4.496 -6.978 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -3.200 -5.797 -8.841 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -1.823 -6.560 -8.072 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.551 -7.196 -7.667 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.186 -7.821 -6.763 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.110 -5.675 -6.007 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -4.168 -6.731 -4.972 1.00 0.00 H new ATOM 375 N PRO A 26 -2.652 -3.092 -8.845 1.00 0.00 N ATOM 376 CA PRO A 26 -3.213 -1.944 -9.566 1.00 0.00 C ATOM 377 C PRO A 26 -4.640 -2.192 -10.042 1.00 0.00 C ATOM 378 O PRO A 26 -5.367 -1.254 -10.370 1.00 0.00 O ATOM 379 CB PRO A 26 -2.272 -1.765 -10.762 1.00 0.00 C ATOM 380 CG PRO A 26 -1.577 -3.072 -10.904 1.00 0.00 C ATOM 381 CD PRO A 26 -1.460 -3.631 -9.516 1.00 0.00 C ATOM 0 HA PRO A 26 -3.277 -1.063 -8.927 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -2.826 -1.513 -11.666 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -1.561 -0.957 -10.588 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -2.141 -3.745 -11.550 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -0.594 -2.944 -11.357 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.455 -4.721 -9.518 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -0.541 -3.309 -9.027 1.00 0.00 H new ATOM 389 N CYS A 27 -5.035 -3.459 -10.076 1.00 0.00 N ATOM 390 CA CYS A 27 -6.370 -3.832 -10.510 1.00 0.00 C ATOM 391 C CYS A 27 -7.248 -4.208 -9.320 1.00 0.00 C ATOM 392 O CYS A 27 -6.751 -4.647 -8.283 1.00 0.00 O ATOM 393 CB CYS A 27 -6.300 -4.993 -11.501 1.00 0.00 C ATOM 394 SG CYS A 27 -6.929 -4.594 -13.148 1.00 0.00 S ATOM 0 H CYS A 27 -4.445 -4.246 -9.806 1.00 0.00 H new ATOM 0 HA CYS A 27 -6.818 -2.970 -11.005 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.264 -5.320 -11.589 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -6.867 -5.833 -11.101 1.00 0.00 H new ATOM 0 HG CYS A 27 -6.826 -5.638 -13.916 1.00 0.00 H new ATOM 400 N GLY A 28 -8.557 -4.033 -9.478 1.00 0.00 N ATOM 401 CA GLY A 28 -9.483 -4.360 -8.409 1.00 0.00 C ATOM 402 C GLY A 28 -10.347 -3.181 -8.006 1.00 0.00 C ATOM 403 O GLY A 28 -10.614 -2.975 -6.822 1.00 0.00 O ATOM 0 H GLY A 28 -8.992 -3.671 -10.326 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -10.123 -5.183 -8.727 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -8.923 -4.708 -7.542 1.00 0.00 H new ATOM 407 N ARG A 29 -10.785 -2.405 -8.992 1.00 0.00 N ATOM 408 CA ARG A 29 -11.624 -1.241 -8.732 1.00 0.00 C ATOM 409 C ARG A 29 -12.964 -1.657 -8.134 1.00 0.00 C ATOM 410 O ARG A 29 -13.912 -1.957 -8.860 1.00 0.00 O ATOM 411 CB ARG A 29 -11.851 -0.453 -10.024 1.00 0.00 C ATOM 412 CG ARG A 29 -10.806 0.622 -10.273 1.00 0.00 C ATOM 413 CD ARG A 29 -11.197 1.520 -11.436 1.00 0.00 C ATOM 414 NE ARG A 29 -12.402 2.294 -11.149 1.00 0.00 N ATOM 415 CZ ARG A 29 -13.151 2.875 -12.084 1.00 0.00 C ATOM 416 NH1 ARG A 29 -12.822 2.771 -13.366 1.00 0.00 N ATOM 417 NH2 ARG A 29 -14.231 3.561 -11.737 1.00 0.00 N ATOM 0 H ARG A 29 -10.573 -2.561 -9.977 1.00 0.00 H new ATOM 0 HA ARG A 29 -11.108 -0.606 -8.012 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.856 -1.145 -10.866 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -12.836 0.011 -9.988 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -10.680 1.224 -9.373 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -9.844 0.154 -10.481 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -10.375 2.199 -11.662 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -11.361 0.911 -12.325 1.00 0.00 H new ATOM 0 HE ARG A 29 -12.686 2.395 -10.175 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -11.992 2.244 -13.638 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -13.399 3.218 -14.078 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -14.488 3.644 -10.753 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -14.805 4.006 -12.454 1.00 0.00 H new ATOM 431 N ARG A 30 -13.036 -1.671 -6.807 1.00 0.00 N ATOM 432 CA ARG A 30 -14.255 -2.046 -6.112 1.00 0.00 C ATOM 433 C ARG A 30 -14.472 -1.175 -4.879 1.00 0.00 C ATOM 434 O ARG A 30 -14.062 -1.532 -3.775 1.00 0.00 O ATOM 435 CB ARG A 30 -14.208 -3.522 -5.710 1.00 0.00 C ATOM 436 CG ARG A 30 -15.552 -4.073 -5.263 1.00 0.00 C ATOM 437 CD ARG A 30 -15.502 -5.582 -5.082 1.00 0.00 C ATOM 438 NE ARG A 30 -16.444 -6.043 -4.064 1.00 0.00 N ATOM 439 CZ ARG A 30 -17.749 -6.193 -4.276 1.00 0.00 C ATOM 440 NH1 ARG A 30 -18.271 -5.919 -5.465 1.00 0.00 N ATOM 441 NH2 ARG A 30 -18.535 -6.618 -3.296 1.00 0.00 N ATOM 0 H ARG A 30 -12.260 -1.426 -6.193 1.00 0.00 H new ATOM 0 HA ARG A 30 -15.092 -1.891 -6.793 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -13.847 -4.109 -6.555 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -13.486 -3.647 -4.903 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -15.846 -3.602 -4.325 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -16.314 -3.819 -6.000 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -15.727 -6.069 -6.031 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -14.492 -5.880 -4.803 1.00 0.00 H new ATOM 0 HE ARG A 30 -16.080 -6.263 -3.137 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -17.671 -5.592 -6.222 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -19.272 -6.036 -5.622 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -18.139 -6.830 -2.380 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -19.535 -6.733 -3.458 1.00 0.00 H new ATOM 455 N LYS A 31 -15.117 -0.029 -5.075 1.00 0.00 N ATOM 456 CA LYS A 31 -15.387 0.893 -3.979 1.00 0.00 C ATOM 457 C LYS A 31 -16.319 0.259 -2.951 1.00 0.00 C ATOM 458 O LYS A 31 -17.540 0.301 -3.097 1.00 0.00 O ATOM 459 CB LYS A 31 -16.003 2.187 -4.514 1.00 0.00 C ATOM 460 CG LYS A 31 -15.141 2.889 -5.551 1.00 0.00 C ATOM 461 CD LYS A 31 -15.987 3.505 -6.654 1.00 0.00 C ATOM 462 CE LYS A 31 -16.944 4.551 -6.105 1.00 0.00 C ATOM 463 NZ LYS A 31 -16.424 5.934 -6.294 1.00 0.00 N ATOM 0 H LYS A 31 -15.462 0.283 -5.983 1.00 0.00 H new ATOM 0 HA LYS A 31 -14.441 1.124 -3.490 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -16.975 1.962 -4.954 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -16.180 2.867 -3.681 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -14.549 3.666 -5.068 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -14.439 2.177 -5.984 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -15.337 3.961 -7.400 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -16.553 2.723 -7.160 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -17.910 4.455 -6.601 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -17.112 4.368 -5.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -17.064 6.612 -5.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -15.476 6.009 -5.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -16.368 6.148 -7.310 1.00 0.00 H new ATOM 477 N ILE A 32 -15.734 -0.327 -1.912 1.00 0.00 N ATOM 478 CA ILE A 32 -16.507 -0.970 -0.862 1.00 0.00 C ATOM 479 C ILE A 32 -17.040 0.054 0.137 1.00 0.00 C ATOM 480 O ILE A 32 -16.321 0.965 0.550 1.00 0.00 O ATOM 481 CB ILE A 32 -15.668 -2.024 -0.111 1.00 0.00 C ATOM 482 CG1 ILE A 32 -16.531 -2.763 0.914 1.00 0.00 C ATOM 483 CG2 ILE A 32 -14.473 -1.370 0.567 1.00 0.00 C ATOM 484 CD1 ILE A 32 -15.784 -3.843 1.666 1.00 0.00 C ATOM 0 H ILE A 32 -14.724 -0.369 -1.777 1.00 0.00 H new ATOM 0 HA ILE A 32 -17.347 -1.467 -1.347 1.00 0.00 H new ATOM 0 HB ILE A 32 -15.297 -2.750 -0.835 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -16.929 -2.043 1.629 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -17.384 -3.210 0.404 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -13.892 -2.129 1.092 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -13.847 -0.889 -0.184 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -14.823 -0.623 1.280 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -16.457 -4.325 2.375 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -15.409 -4.585 0.961 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -14.947 -3.399 2.205 1.00 0.00 H new ATOM 496 N ILE A 33 -18.303 -0.102 0.521 1.00 0.00 N ATOM 497 CA ILE A 33 -18.930 0.806 1.470 1.00 0.00 C ATOM 498 C ILE A 33 -18.433 0.545 2.889 1.00 0.00 C ATOM 499 O ILE A 33 -18.604 -0.551 3.424 1.00 0.00 O ATOM 500 CB ILE A 33 -20.467 0.680 1.437 1.00 0.00 C ATOM 501 CG1 ILE A 33 -21.109 1.709 2.371 1.00 0.00 C ATOM 502 CG2 ILE A 33 -20.894 -0.730 1.818 1.00 0.00 C ATOM 503 CD1 ILE A 33 -22.343 2.364 1.791 1.00 0.00 C ATOM 0 H ILE A 33 -18.911 -0.850 0.188 1.00 0.00 H new ATOM 0 HA ILE A 33 -18.653 1.818 1.174 1.00 0.00 H new ATOM 0 HB ILE A 33 -20.808 0.879 0.421 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -21.373 1.221 3.309 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -20.376 2.480 2.608 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -21.981 -0.801 1.790 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -20.465 -1.443 1.114 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -20.542 -0.957 2.824 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -22.745 3.081 2.507 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -22.081 2.881 0.868 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -23.094 1.603 1.580 1.00 0.00 H new ATOM 515 N LEU A 34 -17.814 1.555 3.491 1.00 0.00 N ATOM 516 CA LEU A 34 -17.291 1.430 4.845 1.00 0.00 C ATOM 517 C LEU A 34 -18.415 1.317 5.863 1.00 0.00 C ATOM 518 O LEU A 34 -18.612 0.270 6.480 1.00 0.00 O ATOM 519 CB LEU A 34 -16.401 2.627 5.179 1.00 0.00 C ATOM 520 CG LEU A 34 -14.972 2.275 5.593 1.00 0.00 C ATOM 521 CD1 LEU A 34 -14.046 3.464 5.384 1.00 0.00 C ATOM 522 CD2 LEU A 34 -14.940 1.820 7.044 1.00 0.00 C ATOM 0 H LEU A 34 -17.663 2.468 3.062 1.00 0.00 H new ATOM 0 HA LEU A 34 -16.698 0.517 4.893 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -16.360 3.284 4.310 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -16.867 3.194 5.985 1.00 0.00 H new ATOM 0 HG LEU A 34 -14.621 1.456 4.965 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -13.034 3.194 5.684 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -14.049 3.747 4.331 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -14.391 4.304 5.986 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -13.916 1.573 7.325 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -15.309 2.621 7.685 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -15.572 0.940 7.163 1.00 0.00 H new ATOM 534 N SER A 35 -19.147 2.404 6.027 1.00 0.00 N ATOM 535 CA SER A 35 -20.258 2.450 6.961 1.00 0.00 C ATOM 536 C SER A 35 -21.554 2.833 6.257 1.00 0.00 C ATOM 537 O SER A 35 -22.363 1.974 5.907 1.00 0.00 O ATOM 538 CB SER A 35 -19.956 3.424 8.101 1.00 0.00 C ATOM 539 OG SER A 35 -19.833 2.740 9.336 1.00 0.00 O ATOM 0 H SER A 35 -18.990 3.275 5.520 1.00 0.00 H new ATOM 0 HA SER A 35 -20.388 1.452 7.380 1.00 0.00 H new ATOM 0 HB2 SER A 35 -19.034 3.964 7.887 1.00 0.00 H new ATOM 0 HB3 SER A 35 -20.751 4.166 8.170 1.00 0.00 H new ATOM 0 HG SER A 35 -19.638 3.384 10.049 1.00 0.00 H new ATOM 545 N ASP A 36 -21.740 4.128 6.057 1.00 0.00 N ATOM 546 CA ASP A 36 -22.927 4.643 5.398 1.00 0.00 C ATOM 547 C ASP A 36 -22.556 5.521 4.207 1.00 0.00 C ATOM 548 O ASP A 36 -23.192 5.457 3.155 1.00 0.00 O ATOM 549 CB ASP A 36 -23.784 5.436 6.387 1.00 0.00 C ATOM 550 CG ASP A 36 -25.253 5.430 6.014 1.00 0.00 C ATOM 551 OD1 ASP A 36 -25.676 6.327 5.254 1.00 0.00 O ATOM 552 OD2 ASP A 36 -25.981 4.530 6.481 1.00 0.00 O ATOM 0 H ASP A 36 -21.076 4.847 6.345 1.00 0.00 H new ATOM 0 HA ASP A 36 -23.503 3.793 5.031 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -23.664 5.016 7.386 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -23.427 6.465 6.429 1.00 0.00 H new ATOM 557 N GLU A 37 -21.524 6.343 4.380 1.00 0.00 N ATOM 558 CA GLU A 37 -21.071 7.236 3.319 1.00 0.00 C ATOM 559 C GLU A 37 -20.764 6.462 2.045 1.00 0.00 C ATOM 560 O GLU A 37 -21.151 6.864 0.948 1.00 0.00 O ATOM 561 CB GLU A 37 -19.837 8.016 3.772 1.00 0.00 C ATOM 562 CG GLU A 37 -20.049 9.517 3.811 1.00 0.00 C ATOM 563 CD GLU A 37 -19.117 10.265 2.877 1.00 0.00 C ATOM 564 OE1 GLU A 37 -17.976 10.564 3.290 1.00 0.00 O ATOM 565 OE2 GLU A 37 -19.528 10.552 1.733 1.00 0.00 O ATOM 0 H GLU A 37 -20.987 6.409 5.244 1.00 0.00 H new ATOM 0 HA GLU A 37 -21.876 7.939 3.104 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -19.544 7.673 4.764 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -19.009 7.792 3.100 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -21.082 9.741 3.543 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -19.899 9.874 4.830 1.00 0.00 H new ATOM 572 N GLY A 38 -20.070 5.348 2.206 1.00 0.00 N ATOM 573 CA GLY A 38 -19.716 4.516 1.069 1.00 0.00 C ATOM 574 C GLY A 38 -19.051 5.299 -0.044 1.00 0.00 C ATOM 575 O GLY A 38 -19.143 4.931 -1.215 1.00 0.00 O ATOM 0 H GLY A 38 -19.742 5.000 3.107 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -19.046 3.722 1.400 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -20.614 4.035 0.682 1.00 0.00 H new ATOM 579 N LYS A 39 -18.371 6.373 0.327 1.00 0.00 N ATOM 580 CA LYS A 39 -17.675 7.206 -0.628 1.00 0.00 C ATOM 581 C LYS A 39 -16.398 7.758 -0.012 1.00 0.00 C ATOM 582 O LYS A 39 -16.394 8.827 0.597 1.00 0.00 O ATOM 583 CB LYS A 39 -18.573 8.352 -1.096 1.00 0.00 C ATOM 584 CG LYS A 39 -19.401 8.013 -2.325 1.00 0.00 C ATOM 585 CD LYS A 39 -19.583 9.224 -3.226 1.00 0.00 C ATOM 586 CE LYS A 39 -18.512 9.283 -4.303 1.00 0.00 C ATOM 587 NZ LYS A 39 -18.903 10.179 -5.426 1.00 0.00 N ATOM 0 H LYS A 39 -18.289 6.686 1.294 1.00 0.00 H new ATOM 0 HA LYS A 39 -17.414 6.596 -1.493 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -19.243 8.633 -0.283 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -17.954 9.222 -1.314 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -18.915 7.213 -2.883 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -20.377 7.639 -2.016 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -20.568 9.187 -3.692 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -19.548 10.134 -2.626 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -17.577 9.635 -3.867 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -18.327 8.280 -4.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -18.146 10.192 -6.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -19.781 9.829 -5.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -19.055 11.142 -5.065 1.00 0.00 H new ATOM 601 N MET A 40 -15.319 7.017 -0.188 1.00 0.00 N ATOM 602 CA MET A 40 -14.020 7.409 0.328 1.00 0.00 C ATOM 603 C MET A 40 -12.910 6.890 -0.577 1.00 0.00 C ATOM 604 O MET A 40 -12.363 5.810 -0.354 1.00 0.00 O ATOM 605 CB MET A 40 -13.821 6.893 1.759 1.00 0.00 C ATOM 606 CG MET A 40 -14.689 5.694 2.114 1.00 0.00 C ATOM 607 SD MET A 40 -14.464 4.310 0.980 1.00 0.00 S ATOM 608 CE MET A 40 -15.076 2.953 1.976 1.00 0.00 C ATOM 0 H MET A 40 -15.318 6.130 -0.691 1.00 0.00 H new ATOM 0 HA MET A 40 -13.978 8.498 0.347 1.00 0.00 H new ATOM 0 HB2 MET A 40 -12.774 6.622 1.894 1.00 0.00 H new ATOM 0 HB3 MET A 40 -14.034 7.702 2.458 1.00 0.00 H new ATOM 0 HG2 MET A 40 -14.455 5.369 3.128 1.00 0.00 H new ATOM 0 HG3 MET A 40 -15.737 5.995 2.109 1.00 0.00 H new ATOM 0 HE1 MET A 40 -14.649 2.017 1.617 1.00 0.00 H new ATOM 0 HE2 MET A 40 -14.790 3.107 3.016 1.00 0.00 H new ATOM 0 HE3 MET A 40 -16.163 2.908 1.901 1.00 0.00 H new ATOM 618 N TYR A 41 -12.587 7.666 -1.602 1.00 0.00 N ATOM 619 CA TYR A 41 -11.547 7.290 -2.550 1.00 0.00 C ATOM 620 C TYR A 41 -10.166 7.346 -1.903 1.00 0.00 C ATOM 621 O TYR A 41 -9.448 8.337 -2.033 1.00 0.00 O ATOM 622 CB TYR A 41 -11.593 8.200 -3.775 1.00 0.00 C ATOM 623 CG TYR A 41 -11.888 7.466 -5.064 1.00 0.00 C ATOM 624 CD1 TYR A 41 -13.006 6.650 -5.180 1.00 0.00 C ATOM 625 CD2 TYR A 41 -11.048 7.589 -6.163 1.00 0.00 C ATOM 626 CE1 TYR A 41 -13.279 5.978 -6.357 1.00 0.00 C ATOM 627 CE2 TYR A 41 -11.314 6.920 -7.343 1.00 0.00 C ATOM 628 CZ TYR A 41 -12.430 6.116 -7.434 1.00 0.00 C ATOM 629 OH TYR A 41 -12.699 5.448 -8.607 1.00 0.00 O ATOM 0 H TYR A 41 -13.032 8.563 -1.799 1.00 0.00 H new ATOM 0 HA TYR A 41 -11.732 6.263 -2.864 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -12.354 8.965 -3.620 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -10.637 8.715 -3.871 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -13.673 6.539 -4.338 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -10.173 8.218 -6.095 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -14.153 5.348 -6.432 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -10.651 7.027 -8.189 1.00 0.00 H new ATOM 0 HH TYR A 41 -12.004 5.653 -9.267 1.00 0.00 H new ATOM 639 N GLY A 42 -9.800 6.271 -1.213 1.00 0.00 N ATOM 640 CA GLY A 42 -8.509 6.211 -0.565 1.00 0.00 C ATOM 641 C GLY A 42 -8.012 4.788 -0.399 1.00 0.00 C ATOM 642 O GLY A 42 -8.448 4.072 0.502 1.00 0.00 O ATOM 0 H GLY A 42 -10.378 5.440 -1.093 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.786 6.780 -1.149 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.574 6.687 0.413 1.00 0.00 H new ATOM 646 N ARG A 43 -7.098 4.378 -1.272 1.00 0.00 N ATOM 647 CA ARG A 43 -6.544 3.035 -1.223 1.00 0.00 C ATOM 648 C ARG A 43 -5.298 2.982 -0.346 1.00 0.00 C ATOM 649 O ARG A 43 -4.960 1.936 0.208 1.00 0.00 O ATOM 650 CB ARG A 43 -6.218 2.544 -2.632 1.00 0.00 C ATOM 651 CG ARG A 43 -7.024 1.327 -3.054 1.00 0.00 C ATOM 652 CD ARG A 43 -6.450 0.685 -4.307 1.00 0.00 C ATOM 653 NE ARG A 43 -7.152 1.116 -5.513 1.00 0.00 N ATOM 654 CZ ARG A 43 -8.346 0.657 -5.880 1.00 0.00 C ATOM 655 NH1 ARG A 43 -8.975 -0.246 -5.137 1.00 0.00 N ATOM 656 NH2 ARG A 43 -8.914 1.102 -6.992 1.00 0.00 N ATOM 0 H ARG A 43 -6.726 4.960 -2.023 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.295 2.379 -0.783 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -6.399 3.353 -3.340 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -5.156 2.303 -2.687 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -7.036 0.598 -2.243 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -8.058 1.619 -3.235 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -5.393 0.938 -4.393 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -6.512 -0.400 -4.220 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.701 1.810 -6.109 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -8.543 -0.591 -4.280 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -9.890 -0.594 -5.423 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.436 1.796 -7.566 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -9.829 0.750 -7.273 1.00 0.00 H new ATOM 670 N ASN A 44 -4.617 4.115 -0.231 1.00 0.00 N ATOM 671 CA ASN A 44 -3.403 4.201 0.573 1.00 0.00 C ATOM 672 C ASN A 44 -3.664 3.791 2.016 1.00 0.00 C ATOM 673 O ASN A 44 -2.772 3.289 2.701 1.00 0.00 O ATOM 674 CB ASN A 44 -2.833 5.617 0.523 1.00 0.00 C ATOM 675 CG ASN A 44 -1.438 5.662 -0.071 1.00 0.00 C ATOM 676 OD1 ASN A 44 -0.819 4.626 -0.314 1.00 0.00 O ATOM 677 ND2 ASN A 44 -0.935 6.869 -0.306 1.00 0.00 N ATOM 0 H ASN A 44 -4.885 4.989 -0.685 1.00 0.00 H new ATOM 0 HA ASN A 44 -2.674 3.508 0.152 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.496 6.251 -0.066 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.809 6.031 1.531 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.000 6.963 -0.703 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.484 7.701 -0.089 1.00 0.00 H new ATOM 684 N GLU A 45 -4.888 4.006 2.469 1.00 0.00 N ATOM 685 CA GLU A 45 -5.266 3.657 3.829 1.00 0.00 C ATOM 686 C GLU A 45 -5.480 2.155 3.965 1.00 0.00 C ATOM 687 O GLU A 45 -5.352 1.596 5.054 1.00 0.00 O ATOM 688 CB GLU A 45 -6.533 4.408 4.241 1.00 0.00 C ATOM 689 CG GLU A 45 -6.670 4.591 5.744 1.00 0.00 C ATOM 690 CD GLU A 45 -8.107 4.807 6.176 1.00 0.00 C ATOM 691 OE1 GLU A 45 -8.841 3.807 6.321 1.00 0.00 O ATOM 692 OE2 GLU A 45 -8.500 5.977 6.369 1.00 0.00 O ATOM 0 H GLU A 45 -5.637 4.421 1.915 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.452 3.950 4.491 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.537 5.387 3.762 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.403 3.868 3.868 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.270 3.713 6.251 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.068 5.443 6.059 1.00 0.00 H new ATOM 699 N LEU A 46 -5.803 1.508 2.853 1.00 0.00 N ATOM 700 CA LEU A 46 -6.031 0.074 2.847 1.00 0.00 C ATOM 701 C LEU A 46 -4.714 -0.684 2.837 1.00 0.00 C ATOM 702 O LEU A 46 -4.584 -1.736 3.463 1.00 0.00 O ATOM 703 CB LEU A 46 -6.884 -0.329 1.645 1.00 0.00 C ATOM 704 CG LEU A 46 -8.190 -1.046 1.989 1.00 0.00 C ATOM 705 CD1 LEU A 46 -8.968 -1.373 0.723 1.00 0.00 C ATOM 706 CD2 LEU A 46 -7.907 -2.310 2.786 1.00 0.00 C ATOM 0 H LEU A 46 -5.913 1.957 1.944 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.569 -0.186 3.759 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.120 0.566 1.070 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.291 -0.976 0.999 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.799 -0.382 2.602 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.894 -1.883 0.987 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.200 -0.451 0.190 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -8.367 -2.020 0.084 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.847 -2.809 3.023 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.280 -2.979 2.197 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.391 -2.050 3.710 1.00 0.00 H new ATOM 718 N ILE A 47 -3.737 -0.136 2.133 1.00 0.00 N ATOM 719 CA ILE A 47 -2.427 -0.752 2.053 1.00 0.00 C ATOM 720 C ILE A 47 -1.627 -0.451 3.306 1.00 0.00 C ATOM 721 O ILE A 47 -0.836 -1.273 3.768 1.00 0.00 O ATOM 722 CB ILE A 47 -1.629 -0.289 0.813 1.00 0.00 C ATOM 723 CG1 ILE A 47 -2.084 1.094 0.337 1.00 0.00 C ATOM 724 CG2 ILE A 47 -1.756 -1.306 -0.310 1.00 0.00 C ATOM 725 CD1 ILE A 47 -1.069 1.795 -0.539 1.00 0.00 C ATOM 0 H ILE A 47 -3.828 0.735 1.609 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.590 -1.826 1.961 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.581 -0.212 1.102 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.018 0.990 -0.215 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.294 1.717 1.206 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.188 -0.965 -1.176 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.366 -2.267 0.024 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.805 -1.416 -0.584 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.458 2.768 -0.839 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.141 1.930 0.016 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.876 1.192 -1.426 1.00 0.00 H new ATOM 737 N ALA A 48 -1.853 0.729 3.860 1.00 0.00 N ATOM 738 CA ALA A 48 -1.171 1.140 5.071 1.00 0.00 C ATOM 739 C ALA A 48 -1.780 0.455 6.284 1.00 0.00 C ATOM 740 O ALA A 48 -1.115 0.262 7.302 1.00 0.00 O ATOM 741 CB ALA A 48 -1.216 2.652 5.222 1.00 0.00 C ATOM 0 H ALA A 48 -2.505 1.419 3.487 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.126 0.838 5.000 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.699 2.942 6.137 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.728 3.118 4.366 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.254 2.982 5.272 1.00 0.00 H new ATOM 747 N ARG A 49 -3.046 0.072 6.163 1.00 0.00 N ATOM 748 CA ARG A 49 -3.733 -0.611 7.244 1.00 0.00 C ATOM 749 C ARG A 49 -3.210 -2.033 7.374 1.00 0.00 C ATOM 750 O ARG A 49 -3.204 -2.609 8.462 1.00 0.00 O ATOM 751 CB ARG A 49 -5.244 -0.618 7.006 1.00 0.00 C ATOM 752 CG ARG A 49 -6.030 -1.312 8.106 1.00 0.00 C ATOM 753 CD ARG A 49 -7.248 -2.033 7.551 1.00 0.00 C ATOM 754 NE ARG A 49 -8.119 -2.531 8.612 1.00 0.00 N ATOM 755 CZ ARG A 49 -8.957 -1.763 9.306 1.00 0.00 C ATOM 756 NH1 ARG A 49 -9.039 -0.463 9.054 1.00 0.00 N ATOM 757 NH2 ARG A 49 -9.715 -2.298 10.253 1.00 0.00 N ATOM 0 H ARG A 49 -3.613 0.224 5.329 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.538 -0.076 8.173 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.594 0.410 6.914 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.452 -1.111 6.056 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.386 -2.026 8.620 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -6.347 -0.578 8.847 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.810 -1.354 6.909 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -6.923 -2.866 6.927 1.00 0.00 H new ATOM 0 HE ARG A 49 -8.083 -3.526 8.835 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.459 -0.047 8.326 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.683 0.121 9.589 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.656 -3.297 10.450 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.357 -1.710 10.785 1.00 0.00 H new ATOM 771 N TYR A 50 -2.757 -2.585 6.256 1.00 0.00 N ATOM 772 CA TYR A 50 -2.213 -3.932 6.238 1.00 0.00 C ATOM 773 C TYR A 50 -0.889 -3.976 6.971 1.00 0.00 C ATOM 774 O TYR A 50 -0.694 -4.769 7.892 1.00 0.00 O ATOM 775 CB TYR A 50 -2.025 -4.411 4.810 1.00 0.00 C ATOM 776 CG TYR A 50 -1.982 -5.916 4.677 1.00 0.00 C ATOM 777 CD1 TYR A 50 -0.853 -6.629 5.058 1.00 0.00 C ATOM 778 CD2 TYR A 50 -3.066 -6.623 4.171 1.00 0.00 C ATOM 779 CE1 TYR A 50 -0.804 -8.003 4.940 1.00 0.00 C ATOM 780 CE2 TYR A 50 -3.025 -7.999 4.050 1.00 0.00 C ATOM 781 CZ TYR A 50 -1.892 -8.685 4.436 1.00 0.00 C ATOM 782 OH TYR A 50 -1.847 -10.055 4.317 1.00 0.00 O ATOM 0 H TYR A 50 -2.757 -2.118 5.349 1.00 0.00 H new ATOM 0 HA TYR A 50 -2.920 -4.592 6.741 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.838 -4.023 4.196 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.099 -3.993 4.414 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.001 -6.099 5.453 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.954 -6.089 3.868 1.00 0.00 H new ATOM 0 HE1 TYR A 50 0.082 -8.542 5.241 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.876 -8.535 3.655 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.694 -10.379 3.946 1.00 0.00 H new ATOM 792 N ILE A 51 0.013 -3.108 6.556 1.00 0.00 N ATOM 793 CA ILE A 51 1.326 -3.025 7.167 1.00 0.00 C ATOM 794 C ILE A 51 1.208 -2.585 8.618 1.00 0.00 C ATOM 795 O ILE A 51 1.996 -2.992 9.472 1.00 0.00 O ATOM 796 CB ILE A 51 2.257 -2.054 6.414 1.00 0.00 C ATOM 797 CG1 ILE A 51 1.463 -0.957 5.699 1.00 0.00 C ATOM 798 CG2 ILE A 51 3.125 -2.816 5.424 1.00 0.00 C ATOM 799 CD1 ILE A 51 2.236 0.332 5.525 1.00 0.00 C ATOM 0 H ILE A 51 -0.140 -2.447 5.794 1.00 0.00 H new ATOM 0 HA ILE A 51 1.764 -4.022 7.116 1.00 0.00 H new ATOM 0 HB ILE A 51 2.901 -1.570 7.148 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.156 -1.322 4.719 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.553 -0.752 6.263 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.777 -2.118 4.899 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.731 -3.547 5.959 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.489 -3.330 4.703 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.612 1.064 5.011 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.521 0.720 6.503 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.133 0.142 4.935 1.00 0.00 H new ATOM 811 N LYS A 52 0.211 -1.756 8.885 1.00 0.00 N ATOM 812 CA LYS A 52 -0.031 -1.257 10.228 1.00 0.00 C ATOM 813 C LYS A 52 -0.594 -2.357 11.121 1.00 0.00 C ATOM 814 O LYS A 52 -0.421 -2.332 12.340 1.00 0.00 O ATOM 815 CB LYS A 52 -0.994 -0.069 10.190 1.00 0.00 C ATOM 816 CG LYS A 52 -1.251 0.552 11.553 1.00 0.00 C ATOM 817 CD LYS A 52 -0.390 1.785 11.775 1.00 0.00 C ATOM 818 CE LYS A 52 -1.152 2.870 12.518 1.00 0.00 C ATOM 819 NZ LYS A 52 -0.744 4.234 12.081 1.00 0.00 N ATOM 0 H LYS A 52 -0.447 -1.413 8.184 1.00 0.00 H new ATOM 0 HA LYS A 52 0.921 -0.927 10.644 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.591 0.693 9.523 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.943 -0.395 9.764 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.304 0.822 11.638 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.046 -0.182 12.333 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.500 1.511 12.341 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.050 2.171 10.814 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.222 2.741 12.353 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.980 2.766 13.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.854 4.900 12.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.251 4.218 11.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.343 4.538 11.287 1.00 0.00 H new ATOM 833 N LEU A 53 -1.269 -3.321 10.505 1.00 0.00 N ATOM 834 CA LEU A 53 -1.860 -4.428 11.239 1.00 0.00 C ATOM 835 C LEU A 53 -0.836 -5.529 11.500 1.00 0.00 C ATOM 836 O LEU A 53 -0.974 -6.308 12.443 1.00 0.00 O ATOM 837 CB LEU A 53 -3.054 -4.998 10.472 1.00 0.00 C ATOM 838 CG LEU A 53 -4.041 -5.805 11.316 1.00 0.00 C ATOM 839 CD1 LEU A 53 -5.374 -5.939 10.595 1.00 0.00 C ATOM 840 CD2 LEU A 53 -3.467 -7.177 11.639 1.00 0.00 C ATOM 0 H LEU A 53 -1.419 -3.356 9.497 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.202 -4.045 12.201 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.591 -4.174 10.002 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.681 -5.634 9.670 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.210 -5.273 12.253 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.064 -6.516 11.210 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.791 -4.948 10.414 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.223 -6.449 9.643 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.182 -7.738 12.240 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.270 -7.716 10.712 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.537 -7.061 12.196 1.00 0.00 H new ATOM 852 N ARG A 54 0.186 -5.590 10.656 1.00 0.00 N ATOM 853 CA ARG A 54 1.228 -6.599 10.790 1.00 0.00 C ATOM 854 C ARG A 54 2.178 -6.265 11.931 1.00 0.00 C ATOM 855 O ARG A 54 2.332 -7.037 12.877 1.00 0.00 O ATOM 856 CB ARG A 54 2.011 -6.731 9.482 1.00 0.00 C ATOM 857 CG ARG A 54 2.433 -8.157 9.167 1.00 0.00 C ATOM 858 CD ARG A 54 1.233 -9.037 8.854 1.00 0.00 C ATOM 859 NE ARG A 54 1.624 -10.417 8.579 1.00 0.00 N ATOM 860 CZ ARG A 54 1.923 -11.306 9.524 1.00 0.00 C ATOM 861 NH1 ARG A 54 1.879 -10.962 10.806 1.00 0.00 N ATOM 862 NH2 ARG A 54 2.266 -12.541 9.187 1.00 0.00 N ATOM 0 H ARG A 54 0.315 -4.952 9.871 1.00 0.00 H new ATOM 0 HA ARG A 54 0.744 -7.549 11.017 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.400 -6.352 8.663 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.899 -6.101 9.535 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.116 -8.156 8.318 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.979 -8.572 10.015 1.00 0.00 H new ATOM 0 HD2 ARG A 54 0.540 -9.017 9.695 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.701 -8.632 7.993 1.00 0.00 H new ATOM 0 HE ARG A 54 1.671 -10.718 7.605 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.615 -10.013 11.071 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.109 -11.647 11.526 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.301 -12.810 8.204 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.495 -13.222 9.911 1.00 0.00 H new ATOM 876 N THR A 55 2.812 -5.112 11.826 1.00 0.00 N ATOM 877 CA THR A 55 3.756 -4.658 12.835 1.00 0.00 C ATOM 878 C THR A 55 3.039 -4.001 14.011 1.00 0.00 C ATOM 879 O THR A 55 3.586 -3.907 15.109 1.00 0.00 O ATOM 880 CB THR A 55 4.760 -3.679 12.220 1.00 0.00 C ATOM 881 OG1 THR A 55 4.250 -3.123 11.021 1.00 0.00 O ATOM 882 CG2 THR A 55 6.095 -4.316 11.898 1.00 0.00 C ATOM 0 H THR A 55 2.690 -4.467 11.046 1.00 0.00 H new ATOM 0 HA THR A 55 4.290 -5.531 13.209 1.00 0.00 H new ATOM 0 HB THR A 55 4.914 -2.910 12.977 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.057 -2.172 11.158 1.00 0.00 H new ATOM 0 HG21 THR A 55 6.760 -3.568 11.465 1.00 0.00 H new ATOM 0 HG22 THR A 55 6.539 -4.712 12.811 1.00 0.00 H new ATOM 0 HG23 THR A 55 5.948 -5.127 11.185 1.00 0.00 H new ATOM 890 N GLY A 56 1.813 -3.547 13.773 1.00 0.00 N ATOM 891 CA GLY A 56 1.044 -2.905 14.820 1.00 0.00 C ATOM 892 C GLY A 56 1.580 -1.532 15.189 1.00 0.00 C ATOM 893 O GLY A 56 1.119 -0.919 16.152 1.00 0.00 O ATOM 0 H GLY A 56 1.339 -3.613 12.872 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.007 -2.810 14.497 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.045 -3.540 15.706 1.00 0.00 H new ATOM 897 N LYS A 57 2.555 -1.046 14.424 1.00 0.00 N ATOM 898 CA LYS A 57 3.149 0.256 14.676 1.00 0.00 C ATOM 899 C LYS A 57 4.024 0.687 13.503 1.00 0.00 C ATOM 900 O LYS A 57 5.230 0.436 13.489 1.00 0.00 O ATOM 901 CB LYS A 57 3.970 0.219 15.958 1.00 0.00 C ATOM 902 CG LYS A 57 3.707 1.393 16.887 1.00 0.00 C ATOM 903 CD LYS A 57 4.030 2.718 16.215 1.00 0.00 C ATOM 904 CE LYS A 57 3.673 3.896 17.106 1.00 0.00 C ATOM 905 NZ LYS A 57 2.202 4.110 17.183 1.00 0.00 N ATOM 0 H LYS A 57 2.949 -1.540 13.623 1.00 0.00 H new ATOM 0 HA LYS A 57 2.346 0.984 14.791 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.756 -0.708 16.489 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.029 0.201 15.700 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.662 1.386 17.197 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.308 1.286 17.790 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.092 2.754 15.971 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.484 2.793 15.275 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.068 3.726 18.108 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.151 4.798 16.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.005 4.972 17.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.816 4.214 16.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.756 3.294 17.649 1.00 0.00 H new ATOM 919 N THR A 58 3.409 1.334 12.520 1.00 0.00 N ATOM 920 CA THR A 58 4.124 1.799 11.344 1.00 0.00 C ATOM 921 C THR A 58 3.499 3.074 10.789 1.00 0.00 C ATOM 922 O THR A 58 2.414 3.480 11.206 1.00 0.00 O ATOM 923 CB THR A 58 4.149 0.718 10.266 1.00 0.00 C ATOM 924 OG1 THR A 58 3.708 -0.525 10.784 1.00 0.00 O ATOM 925 CG2 THR A 58 5.522 0.506 9.664 1.00 0.00 C ATOM 0 H THR A 58 2.412 1.548 12.517 1.00 0.00 H new ATOM 0 HA THR A 58 5.148 2.021 11.645 1.00 0.00 H new ATOM 0 HB THR A 58 3.478 1.076 9.485 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.187 -0.997 10.102 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.470 -0.275 8.905 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.866 1.434 9.207 1.00 0.00 H new ATOM 0 HG23 THR A 58 6.220 0.206 10.446 1.00 0.00 H new ATOM 933 N ARG A 59 4.185 3.690 9.834 1.00 0.00 N ATOM 934 CA ARG A 59 3.701 4.901 9.202 1.00 0.00 C ATOM 935 C ARG A 59 4.302 5.035 7.811 1.00 0.00 C ATOM 936 O ARG A 59 5.093 5.939 7.540 1.00 0.00 O ATOM 937 CB ARG A 59 4.049 6.126 10.051 1.00 0.00 C ATOM 938 CG ARG A 59 3.002 7.226 9.989 1.00 0.00 C ATOM 939 CD ARG A 59 3.599 8.583 10.328 1.00 0.00 C ATOM 940 NE ARG A 59 3.352 8.957 11.718 1.00 0.00 N ATOM 941 CZ ARG A 59 3.556 10.180 12.204 1.00 0.00 C ATOM 942 NH1 ARG A 59 4.009 11.148 11.417 1.00 0.00 N ATOM 943 NH2 ARG A 59 3.304 10.436 13.481 1.00 0.00 N ATOM 0 H ARG A 59 5.085 3.364 9.481 1.00 0.00 H new ATOM 0 HA ARG A 59 2.616 4.841 9.115 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.176 5.815 11.088 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.006 6.528 9.719 1.00 0.00 H new ATOM 0 HG2 ARG A 59 2.565 7.258 8.991 1.00 0.00 H new ATOM 0 HG3 ARG A 59 2.193 6.999 10.683 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.673 8.563 10.143 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.176 9.340 9.668 1.00 0.00 H new ATOM 0 HE ARG A 59 3.003 8.240 12.354 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.203 10.957 10.434 1.00 0.00 H new ATOM 0 HH12 ARG A 59 4.163 12.083 11.795 1.00 0.00 H new ATOM 0 HH21 ARG A 59 2.954 9.696 14.090 1.00 0.00 H new ATOM 0 HH22 ARG A 59 3.460 11.373 13.854 1.00 0.00 H new ATOM 957 N THR A 60 3.914 4.120 6.936 1.00 0.00 N ATOM 958 CA THR A 60 4.395 4.110 5.567 1.00 0.00 C ATOM 959 C THR A 60 3.265 3.769 4.600 1.00 0.00 C ATOM 960 O THR A 60 3.070 2.607 4.245 1.00 0.00 O ATOM 961 CB THR A 60 5.542 3.110 5.411 1.00 0.00 C ATOM 962 OG1 THR A 60 5.768 2.406 6.620 1.00 0.00 O ATOM 963 CG2 THR A 60 6.849 3.758 5.007 1.00 0.00 C ATOM 0 H THR A 60 3.260 3.368 7.155 1.00 0.00 H new ATOM 0 HA THR A 60 4.764 5.108 5.329 1.00 0.00 H new ATOM 0 HB THR A 60 5.227 2.434 4.616 1.00 0.00 H new ATOM 0 HG1 THR A 60 6.504 1.771 6.496 1.00 0.00 H new ATOM 0 HG21 THR A 60 7.620 2.994 4.914 1.00 0.00 H new ATOM 0 HG22 THR A 60 6.723 4.265 4.050 1.00 0.00 H new ATOM 0 HG23 THR A 60 7.146 4.482 5.766 1.00 0.00 H new ATOM 971 N ARG A 61 2.519 4.787 4.180 1.00 0.00 N ATOM 972 CA ARG A 61 1.410 4.591 3.264 1.00 0.00 C ATOM 973 C ARG A 61 1.720 5.172 1.893 1.00 0.00 C ATOM 974 O ARG A 61 1.363 4.599 0.864 1.00 0.00 O ATOM 975 CB ARG A 61 0.136 5.226 3.825 1.00 0.00 C ATOM 976 CG ARG A 61 0.216 6.738 3.953 1.00 0.00 C ATOM 977 CD ARG A 61 -1.108 7.329 4.410 1.00 0.00 C ATOM 978 NE ARG A 61 -1.885 7.861 3.293 1.00 0.00 N ATOM 979 CZ ARG A 61 -1.582 8.984 2.647 1.00 0.00 C ATOM 980 NH1 ARG A 61 -0.520 9.696 3.003 1.00 0.00 N ATOM 981 NH2 ARG A 61 -2.342 9.396 1.641 1.00 0.00 N ATOM 0 H ARG A 61 2.666 5.756 4.463 1.00 0.00 H new ATOM 0 HA ARG A 61 1.254 3.518 3.153 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.703 4.968 3.179 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.073 4.797 4.805 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.999 7.003 4.664 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.497 7.171 2.993 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.689 6.563 4.923 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.920 8.124 5.132 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.709 7.341 2.990 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.068 9.383 3.775 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.292 10.556 2.504 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.159 8.852 1.363 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.110 10.257 1.146 1.00 0.00 H new ATOM 995 N LYS A 62 2.382 6.315 1.893 1.00 0.00 N ATOM 996 CA LYS A 62 2.745 6.992 0.655 1.00 0.00 C ATOM 997 C LYS A 62 3.757 6.180 -0.142 1.00 0.00 C ATOM 998 O LYS A 62 3.798 6.252 -1.370 1.00 0.00 O ATOM 999 CB LYS A 62 3.303 8.381 0.958 1.00 0.00 C ATOM 1000 CG LYS A 62 2.528 9.506 0.293 1.00 0.00 C ATOM 1001 CD LYS A 62 3.168 9.924 -1.021 1.00 0.00 C ATOM 1002 CE LYS A 62 3.120 11.432 -1.209 1.00 0.00 C ATOM 1003 NZ LYS A 62 4.343 11.946 -1.887 1.00 0.00 N ATOM 0 H LYS A 62 2.682 6.798 2.740 1.00 0.00 H new ATOM 0 HA LYS A 62 1.844 7.094 0.050 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.300 8.537 2.037 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.342 8.425 0.632 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.502 9.185 0.113 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.481 10.363 0.965 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.204 9.586 -1.046 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.653 9.436 -1.849 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.241 11.697 -1.796 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.013 11.916 -0.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.272 12.978 -1.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.180 11.716 -1.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.432 11.504 -2.824 1.00 0.00 H new ATOM 1017 N GLN A 63 4.569 5.408 0.564 1.00 0.00 N ATOM 1018 CA GLN A 63 5.580 4.581 -0.075 1.00 0.00 C ATOM 1019 C GLN A 63 4.954 3.347 -0.710 1.00 0.00 C ATOM 1020 O GLN A 63 5.471 2.808 -1.689 1.00 0.00 O ATOM 1021 CB GLN A 63 6.651 4.172 0.934 1.00 0.00 C ATOM 1022 CG GLN A 63 8.037 4.694 0.595 1.00 0.00 C ATOM 1023 CD GLN A 63 8.972 4.687 1.789 1.00 0.00 C ATOM 1024 OE1 GLN A 63 8.618 4.208 2.866 1.00 0.00 O ATOM 1025 NE2 GLN A 63 10.174 5.220 1.602 1.00 0.00 N ATOM 0 H GLN A 63 4.547 5.337 1.581 1.00 0.00 H new ATOM 0 HA GLN A 63 6.048 5.170 -0.864 1.00 0.00 H new ATOM 0 HB2 GLN A 63 6.366 4.536 1.921 1.00 0.00 H new ATOM 0 HB3 GLN A 63 6.686 3.084 0.993 1.00 0.00 H new ATOM 0 HG2 GLN A 63 8.466 4.085 -0.201 1.00 0.00 H new ATOM 0 HG3 GLN A 63 7.954 5.710 0.209 1.00 0.00 H new ATOM 0 HE21 GLN A 63 10.425 5.606 0.692 1.00 0.00 H new ATOM 0 HE22 GLN A 63 10.846 5.244 2.369 1.00 0.00 H new ATOM 1034 N VAL A 64 3.836 2.907 -0.149 1.00 0.00 N ATOM 1035 CA VAL A 64 3.136 1.740 -0.658 1.00 0.00 C ATOM 1036 C VAL A 64 2.269 2.097 -1.859 1.00 0.00 C ATOM 1037 O VAL A 64 1.881 1.224 -2.634 1.00 0.00 O ATOM 1038 CB VAL A 64 2.250 1.084 0.420 1.00 0.00 C ATOM 1039 CG1 VAL A 64 1.775 -0.284 -0.043 1.00 0.00 C ATOM 1040 CG2 VAL A 64 2.997 0.972 1.741 1.00 0.00 C ATOM 0 H VAL A 64 3.395 3.343 0.661 1.00 0.00 H new ATOM 0 HA VAL A 64 3.905 1.029 -0.961 1.00 0.00 H new ATOM 0 HB VAL A 64 1.378 1.719 0.577 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.151 -0.733 0.730 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.196 -0.177 -0.960 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.637 -0.924 -0.231 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.352 0.506 2.486 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.890 0.363 1.603 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.285 1.967 2.082 1.00 0.00 H new ATOM 1050 N SER A 65 1.977 3.383 -2.019 1.00 0.00 N ATOM 1051 CA SER A 65 1.170 3.842 -3.134 1.00 0.00 C ATOM 1052 C SER A 65 2.056 4.096 -4.341 1.00 0.00 C ATOM 1053 O SER A 65 1.636 3.937 -5.486 1.00 0.00 O ATOM 1054 CB SER A 65 0.403 5.112 -2.759 1.00 0.00 C ATOM 1055 OG SER A 65 -0.996 4.887 -2.780 1.00 0.00 O ATOM 0 H SER A 65 2.289 4.122 -1.389 1.00 0.00 H new ATOM 0 HA SER A 65 0.444 3.068 -3.383 1.00 0.00 H new ATOM 0 HB2 SER A 65 0.706 5.444 -1.766 1.00 0.00 H new ATOM 0 HB3 SER A 65 0.656 5.912 -3.454 1.00 0.00 H new ATOM 0 HG SER A 65 -1.246 4.314 -2.026 1.00 0.00 H new ATOM 1061 N SER A 66 3.292 4.480 -4.063 1.00 0.00 N ATOM 1062 CA SER A 66 4.265 4.748 -5.100 1.00 0.00 C ATOM 1063 C SER A 66 4.726 3.452 -5.747 1.00 0.00 C ATOM 1064 O SER A 66 5.020 3.407 -6.941 1.00 0.00 O ATOM 1065 CB SER A 66 5.454 5.490 -4.509 1.00 0.00 C ATOM 1066 OG SER A 66 5.831 6.590 -5.320 1.00 0.00 O ATOM 0 H SER A 66 3.644 4.613 -3.115 1.00 0.00 H new ATOM 0 HA SER A 66 3.800 5.368 -5.866 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.204 5.842 -3.508 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.297 4.806 -4.405 1.00 0.00 H new ATOM 0 HG SER A 66 6.596 7.048 -4.914 1.00 0.00 H new ATOM 1072 N HIS A 67 4.787 2.403 -4.942 1.00 0.00 N ATOM 1073 CA HIS A 67 5.213 1.097 -5.422 1.00 0.00 C ATOM 1074 C HIS A 67 4.175 0.492 -6.357 1.00 0.00 C ATOM 1075 O HIS A 67 4.515 -0.222 -7.301 1.00 0.00 O ATOM 1076 CB HIS A 67 5.475 0.153 -4.248 1.00 0.00 C ATOM 1077 CG HIS A 67 6.336 -1.018 -4.606 1.00 0.00 C ATOM 1078 ND1 HIS A 67 6.202 -1.952 -5.578 1.00 0.00 N flip ATOM 1079 CD2 HIS A 67 7.495 -1.336 -3.929 1.00 0.00 C flip ATOM 1080 CE1 HIS A 67 7.272 -2.806 -5.471 1.00 0.00 C flip ATOM 1081 NE2 HIS A 67 8.037 -2.413 -4.469 1.00 0.00 N flip ATOM 0 H HIS A 67 4.546 2.430 -3.951 1.00 0.00 H new ATOM 0 HA HIS A 67 6.140 1.232 -5.980 1.00 0.00 H new ATOM 0 HB2 HIS A 67 5.951 0.711 -3.442 1.00 0.00 H new ATOM 0 HB3 HIS A 67 4.522 -0.210 -3.864 1.00 0.00 H new ATOM 0 HD1 HIS A 67 5.447 -2.010 -6.262 1.00 0.00 H new ATOM 0 HD2 HIS A 67 7.897 -0.790 -3.088 1.00 0.00 H new ATOM 0 HE1 HIS A 67 7.458 -3.661 -6.104 1.00 0.00 H new ATOM 1090 N ILE A 68 2.911 0.784 -6.091 1.00 0.00 N ATOM 1091 CA ILE A 68 1.824 0.271 -6.911 1.00 0.00 C ATOM 1092 C ILE A 68 1.781 0.973 -8.261 1.00 0.00 C ATOM 1093 O ILE A 68 1.339 0.401 -9.257 1.00 0.00 O ATOM 1094 CB ILE A 68 0.459 0.428 -6.213 1.00 0.00 C ATOM 1095 CG1 ILE A 68 0.510 -0.165 -4.806 1.00 0.00 C ATOM 1096 CG2 ILE A 68 -0.638 -0.239 -7.031 1.00 0.00 C ATOM 1097 CD1 ILE A 68 -0.474 0.471 -3.850 1.00 0.00 C ATOM 0 H ILE A 68 2.613 1.373 -5.314 1.00 0.00 H new ATOM 0 HA ILE A 68 2.018 -0.791 -7.061 1.00 0.00 H new ATOM 0 HB ILE A 68 0.232 1.491 -6.134 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.310 -1.235 -4.863 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.518 -0.050 -4.408 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.595 -0.118 -6.523 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.689 0.224 -8.017 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.416 -1.301 -7.140 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.384 0.002 -2.870 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.261 1.536 -3.764 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.488 0.333 -4.226 1.00 0.00 H new ATOM 1109 N GLN A 69 2.246 2.214 -8.285 1.00 0.00 N ATOM 1110 CA GLN A 69 2.267 2.996 -9.511 1.00 0.00 C ATOM 1111 C GLN A 69 3.381 2.524 -10.434 1.00 0.00 C ATOM 1112 O GLN A 69 3.276 2.625 -11.656 1.00 0.00 O ATOM 1113 CB GLN A 69 2.437 4.483 -9.193 1.00 0.00 C ATOM 1114 CG GLN A 69 1.289 5.066 -8.385 1.00 0.00 C ATOM 1115 CD GLN A 69 0.879 6.444 -8.866 1.00 0.00 C ATOM 1116 OE1 GLN A 69 1.052 6.783 -10.037 1.00 0.00 O ATOM 1117 NE2 GLN A 69 0.331 7.248 -7.962 1.00 0.00 N ATOM 0 H GLN A 69 2.614 2.701 -7.468 1.00 0.00 H new ATOM 0 HA GLN A 69 1.315 2.854 -10.022 1.00 0.00 H new ATOM 0 HB2 GLN A 69 3.367 4.625 -8.642 1.00 0.00 H new ATOM 0 HB3 GLN A 69 2.532 5.037 -10.127 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.432 4.395 -8.442 1.00 0.00 H new ATOM 0 HG3 GLN A 69 1.580 5.123 -7.336 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.206 6.926 -7.002 1.00 0.00 H new ATOM 0 HE22 GLN A 69 0.035 8.187 -8.228 1.00 0.00 H new ATOM 1126 N VAL A 70 4.444 2.001 -9.839 1.00 0.00 N ATOM 1127 CA VAL A 70 5.577 1.503 -10.603 1.00 0.00 C ATOM 1128 C VAL A 70 5.239 0.181 -11.274 1.00 0.00 C ATOM 1129 O VAL A 70 5.767 -0.144 -12.338 1.00 0.00 O ATOM 1130 CB VAL A 70 6.823 1.317 -9.727 1.00 0.00 C ATOM 1131 CG1 VAL A 70 8.077 1.267 -10.586 1.00 0.00 C ATOM 1132 CG2 VAL A 70 6.924 2.419 -8.681 1.00 0.00 C ATOM 0 H VAL A 70 4.545 1.911 -8.828 1.00 0.00 H new ATOM 0 HA VAL A 70 5.796 2.254 -11.362 1.00 0.00 H new ATOM 0 HB VAL A 70 6.731 0.366 -9.202 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.950 1.135 -9.947 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.007 0.432 -11.283 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.173 2.198 -11.144 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.816 2.264 -8.074 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.987 3.387 -9.178 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.041 2.396 -8.042 1.00 0.00 H new ATOM 1142 N LEU A 71 4.349 -0.575 -10.647 1.00 0.00 N ATOM 1143 CA LEU A 71 3.927 -1.860 -11.179 1.00 0.00 C ATOM 1144 C LEU A 71 3.037 -1.671 -12.401 1.00 0.00 C ATOM 1145 O LEU A 71 2.985 -2.525 -13.286 1.00 0.00 O ATOM 1146 CB LEU A 71 3.193 -2.666 -10.109 1.00 0.00 C ATOM 1147 CG LEU A 71 3.858 -3.988 -9.724 1.00 0.00 C ATOM 1148 CD1 LEU A 71 5.009 -3.745 -8.760 1.00 0.00 C ATOM 1149 CD2 LEU A 71 2.839 -4.939 -9.114 1.00 0.00 C ATOM 0 H LEU A 71 3.904 -0.318 -9.766 1.00 0.00 H new ATOM 0 HA LEU A 71 4.816 -2.412 -11.483 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.098 -2.051 -9.214 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.183 -2.874 -10.462 1.00 0.00 H new ATOM 0 HG LEU A 71 4.259 -4.448 -10.627 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.470 -4.697 -8.497 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.750 -3.101 -9.233 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.632 -3.263 -7.858 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.330 -5.875 -8.846 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.408 -4.486 -8.221 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.048 -5.138 -9.838 1.00 0.00 H new ATOM 1161 N ALA A 72 2.341 -0.541 -12.443 1.00 0.00 N ATOM 1162 CA ALA A 72 1.456 -0.230 -13.553 1.00 0.00 C ATOM 1163 C ALA A 72 2.250 0.117 -14.805 1.00 0.00 C ATOM 1164 O ALA A 72 1.788 -0.095 -15.926 1.00 0.00 O ATOM 1165 CB ALA A 72 0.520 0.910 -13.182 1.00 0.00 C ATOM 0 H ALA A 72 2.374 0.175 -11.718 1.00 0.00 H new ATOM 0 HA ALA A 72 0.858 -1.116 -13.768 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.136 1.131 -14.024 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.081 0.621 -12.320 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.105 1.796 -12.936 1.00 0.00 H new ATOM 1171 N ARG A 73 3.447 0.651 -14.603 1.00 0.00 N ATOM 1172 CA ARG A 73 4.311 1.028 -15.711 1.00 0.00 C ATOM 1173 C ARG A 73 4.904 -0.204 -16.381 1.00 0.00 C ATOM 1174 O ARG A 73 5.191 -0.197 -17.579 1.00 0.00 O ATOM 1175 CB ARG A 73 5.430 1.951 -15.225 1.00 0.00 C ATOM 1176 CG ARG A 73 4.989 3.393 -15.034 1.00 0.00 C ATOM 1177 CD ARG A 73 5.324 4.244 -16.248 1.00 0.00 C ATOM 1178 NE ARG A 73 4.199 4.345 -17.174 1.00 0.00 N ATOM 1179 CZ ARG A 73 4.239 5.021 -18.320 1.00 0.00 C ATOM 1180 NH1 ARG A 73 5.346 5.656 -18.685 1.00 0.00 N ATOM 1181 NH2 ARG A 73 3.170 5.062 -19.103 1.00 0.00 N ATOM 0 H ARG A 73 3.841 0.833 -13.680 1.00 0.00 H new ATOM 0 HA ARG A 73 3.706 1.561 -16.444 1.00 0.00 H new ATOM 0 HB2 ARG A 73 5.819 1.571 -14.280 1.00 0.00 H new ATOM 0 HB3 ARG A 73 6.250 1.923 -15.942 1.00 0.00 H new ATOM 0 HG2 ARG A 73 3.915 3.425 -14.851 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.475 3.809 -14.151 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.615 5.242 -15.921 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.182 3.815 -16.766 1.00 0.00 H new ATOM 0 HE ARG A 73 3.331 3.869 -16.928 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.171 5.627 -18.086 1.00 0.00 H new ATOM 0 HH12 ARG A 73 5.371 6.173 -19.564 1.00 0.00 H new ATOM 0 HH21 ARG A 73 2.317 4.576 -18.827 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.201 5.580 -19.981 1.00 0.00 H new ATOM 1195 N ARG A 74 5.083 -1.259 -15.600 1.00 0.00 N ATOM 1196 CA ARG A 74 5.638 -2.504 -16.109 1.00 0.00 C ATOM 1197 C ARG A 74 4.614 -3.251 -16.954 1.00 0.00 C ATOM 1198 O ARG A 74 4.970 -4.004 -17.860 1.00 0.00 O ATOM 1199 CB ARG A 74 6.110 -3.389 -14.954 1.00 0.00 C ATOM 1200 CG ARG A 74 7.144 -4.425 -15.365 1.00 0.00 C ATOM 1201 CD ARG A 74 7.048 -5.678 -14.510 1.00 0.00 C ATOM 1202 NE ARG A 74 8.362 -6.246 -14.219 1.00 0.00 N ATOM 1203 CZ ARG A 74 9.099 -6.904 -15.112 1.00 0.00 C ATOM 1204 NH1 ARG A 74 8.656 -7.079 -16.350 1.00 0.00 N ATOM 1205 NH2 ARG A 74 10.284 -7.388 -14.764 1.00 0.00 N ATOM 0 H ARG A 74 4.851 -1.277 -14.607 1.00 0.00 H new ATOM 0 HA ARG A 74 6.493 -2.259 -16.740 1.00 0.00 H new ATOM 0 HB2 ARG A 74 6.532 -2.757 -14.172 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.249 -3.899 -14.522 1.00 0.00 H new ATOM 0 HG2 ARG A 74 7.001 -4.687 -16.413 1.00 0.00 H new ATOM 0 HG3 ARG A 74 8.143 -3.998 -15.276 1.00 0.00 H new ATOM 0 HD2 ARG A 74 6.541 -5.440 -13.575 1.00 0.00 H new ATOM 0 HD3 ARG A 74 6.438 -6.421 -15.024 1.00 0.00 H new ATOM 0 HE ARG A 74 8.737 -6.132 -13.277 1.00 0.00 H new ATOM 0 HH11 ARG A 74 7.746 -6.709 -16.623 1.00 0.00 H new ATOM 0 HH12 ARG A 74 9.226 -7.584 -17.029 1.00 0.00 H new ATOM 0 HH21 ARG A 74 10.630 -7.256 -13.813 1.00 0.00 H new ATOM 0 HH22 ARG A 74 10.850 -7.892 -15.447 1.00 0.00 H new ATOM 1219 N LYS A 75 3.342 -3.035 -16.648 1.00 0.00 N ATOM 1220 CA LYS A 75 2.259 -3.682 -17.373 1.00 0.00 C ATOM 1221 C LYS A 75 2.020 -3.011 -18.721 1.00 0.00 C ATOM 1222 O LYS A 75 1.497 -3.628 -19.649 1.00 0.00 O ATOM 1223 CB LYS A 75 0.974 -3.658 -16.542 1.00 0.00 C ATOM 1224 CG LYS A 75 1.077 -4.435 -15.240 1.00 0.00 C ATOM 1225 CD LYS A 75 -0.295 -4.708 -14.645 1.00 0.00 C ATOM 1226 CE LYS A 75 -0.321 -6.026 -13.887 1.00 0.00 C ATOM 1227 NZ LYS A 75 -0.021 -5.841 -12.441 1.00 0.00 N ATOM 0 H LYS A 75 3.035 -2.414 -15.899 1.00 0.00 H new ATOM 0 HA LYS A 75 2.549 -4.717 -17.554 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.715 -2.623 -16.318 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.159 -4.069 -17.137 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.592 -5.379 -15.418 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.679 -3.873 -14.526 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.570 -3.895 -13.973 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.040 -4.730 -15.440 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.301 -6.489 -13.998 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.406 -6.710 -14.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.219 -6.759 -12.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.783 -5.190 -12.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.854 -5.445 -11.962 1.00 0.00 H new ATOM 1241 N SER A 76 2.405 -1.745 -18.821 1.00 0.00 N ATOM 1242 CA SER A 76 2.232 -0.989 -20.056 1.00 0.00 C ATOM 1243 C SER A 76 3.039 -1.601 -21.197 1.00 0.00 C ATOM 1244 O SER A 76 2.774 -1.332 -22.369 1.00 0.00 O ATOM 1245 CB SER A 76 2.643 0.470 -19.849 1.00 0.00 C ATOM 1246 OG SER A 76 1.777 1.348 -20.546 1.00 0.00 O ATOM 0 H SER A 76 2.839 -1.220 -18.062 1.00 0.00 H new ATOM 0 HA SER A 76 1.177 -1.028 -20.326 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.628 0.708 -18.785 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.667 0.615 -20.193 1.00 0.00 H new ATOM 0 HG SER A 76 2.060 2.274 -20.396 1.00 0.00 H new ATOM 1252 N ARG A 77 4.020 -2.427 -20.851 1.00 0.00 N ATOM 1253 CA ARG A 77 4.857 -3.078 -21.851 1.00 0.00 C ATOM 1254 C ARG A 77 4.026 -3.984 -22.757 1.00 0.00 C ATOM 1255 O ARG A 77 4.474 -4.377 -23.834 1.00 0.00 O ATOM 1256 CB ARG A 77 5.961 -3.890 -21.172 1.00 0.00 C ATOM 1257 CG ARG A 77 7.050 -3.032 -20.547 1.00 0.00 C ATOM 1258 CD ARG A 77 8.386 -3.757 -20.526 1.00 0.00 C ATOM 1259 NE ARG A 77 9.498 -2.847 -20.258 1.00 0.00 N ATOM 1260 CZ ARG A 77 9.815 -2.401 -19.045 1.00 0.00 C ATOM 1261 NH1 ARG A 77 9.107 -2.776 -17.987 1.00 0.00 N ATOM 1262 NH2 ARG A 77 10.842 -1.577 -18.890 1.00 0.00 N ATOM 0 H ARG A 77 4.255 -2.661 -19.886 1.00 0.00 H new ATOM 0 HA ARG A 77 5.312 -2.301 -22.466 1.00 0.00 H new ATOM 0 HB2 ARG A 77 5.516 -4.518 -20.400 1.00 0.00 H new ATOM 0 HB3 ARG A 77 6.412 -4.558 -21.905 1.00 0.00 H new ATOM 0 HG2 ARG A 77 7.148 -2.102 -21.107 1.00 0.00 H new ATOM 0 HG3 ARG A 77 6.764 -2.763 -19.530 1.00 0.00 H new ATOM 0 HD2 ARG A 77 8.364 -4.536 -19.764 1.00 0.00 H new ATOM 0 HD3 ARG A 77 8.545 -4.252 -21.484 1.00 0.00 H new ATOM 0 HE ARG A 77 10.064 -2.536 -21.047 1.00 0.00 H new ATOM 0 HH11 ARG A 77 8.315 -3.409 -18.101 1.00 0.00 H new ATOM 0 HH12 ARG A 77 9.354 -2.431 -17.059 1.00 0.00 H new ATOM 0 HH21 ARG A 77 11.389 -1.285 -19.700 1.00 0.00 H new ATOM 0 HH22 ARG A 77 11.085 -1.235 -17.960 1.00 0.00 H new ATOM 1276 N ASP A 78 2.815 -4.316 -22.315 1.00 0.00 N ATOM 1277 CA ASP A 78 1.930 -5.176 -23.089 1.00 0.00 C ATOM 1278 C ASP A 78 1.444 -4.468 -24.345 1.00 0.00 C ATOM 1279 O ASP A 78 1.346 -5.068 -25.416 1.00 0.00 O ATOM 1280 CB ASP A 78 0.740 -5.612 -22.239 1.00 0.00 C ATOM 1281 CG ASP A 78 0.738 -7.104 -21.966 1.00 0.00 C ATOM 1282 OD1 ASP A 78 0.438 -7.877 -22.900 1.00 0.00 O ATOM 1283 OD2 ASP A 78 1.036 -7.499 -20.820 1.00 0.00 O ATOM 0 H ASP A 78 2.427 -4.002 -21.426 1.00 0.00 H new ATOM 0 HA ASP A 78 2.494 -6.059 -23.390 1.00 0.00 H new ATOM 0 HB2 ASP A 78 0.757 -5.072 -21.292 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -0.185 -5.337 -22.746 1.00 0.00 H new