USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 646 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 14 HIS : no HD1:sc= -0.0514 X(o=-0.051,f=-6.8e-05) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0354 USER MOD Single : A 31 GLN :FLIP amide:sc= 0 F(o=-0.94,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= -0.12 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.339 K(o=-0.34,f=-5!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -50:sc= 0.294 USER MOD Single : A 66 TYR OH : rot 180:sc= -0.173 USER MOD Single : A 67 THR OG1 : rot -50:sc= 0.574 USER MOD Single : A 70 ASN : amide:sc= -2.12 K(o=-2.1,f=-8.5!) USER MOD Single : A 71 SER OG : rot 180:sc= 0.002 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HE2:sc= -15.4! C(o=-15!,f=-16!) USER MOD Single : A 79 THR OG1 : rot 98:sc= 1.07 USER MOD ----------------------------------------------------------------- ATOM 99 N GLY A 10 13.557 -0.643 -0.308 1.00 0.00 N ATOM 100 CA GLY A 10 14.133 -0.730 1.021 1.00 0.00 C ATOM 101 C GLY A 10 13.970 0.555 1.808 1.00 0.00 C ATOM 102 O GLY A 10 13.636 0.529 2.993 1.00 0.00 O ATOM 0 HA2 GLY A 10 13.661 -1.548 1.565 1.00 0.00 H new ATOM 0 HA3 GLY A 10 15.193 -0.971 0.939 1.00 0.00 H new ATOM 106 N LEU A 11 14.209 1.684 1.150 1.00 0.00 N ATOM 107 CA LEU A 11 14.089 2.987 1.796 1.00 0.00 C ATOM 108 C LEU A 11 12.637 3.284 2.157 1.00 0.00 C ATOM 109 O LEU A 11 12.347 4.250 2.864 1.00 0.00 O ATOM 110 CB LEU A 11 14.633 4.084 0.880 1.00 0.00 C ATOM 111 CG LEU A 11 13.699 4.552 -0.236 1.00 0.00 C ATOM 112 CD1 LEU A 11 13.182 3.364 -1.032 1.00 0.00 C ATOM 113 CD2 LEU A 11 12.542 5.356 0.339 1.00 0.00 C ATOM 0 H LEU A 11 14.487 1.724 0.169 1.00 0.00 H new ATOM 0 HA LEU A 11 14.675 2.965 2.715 1.00 0.00 H new ATOM 0 HB2 LEU A 11 14.893 4.946 1.494 1.00 0.00 H new ATOM 0 HB3 LEU A 11 15.557 3.725 0.426 1.00 0.00 H new ATOM 0 HG LEU A 11 14.263 5.197 -0.910 1.00 0.00 H new ATOM 0 HD11 LEU A 11 12.519 3.716 -1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 11 14.022 2.830 -1.475 1.00 0.00 H new ATOM 0 HD13 LEU A 11 12.634 2.693 -0.370 1.00 0.00 H new ATOM 0 HD21 LEU A 11 11.887 5.681 -0.470 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.978 4.735 1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 11 12.931 6.229 0.864 1.00 0.00 H new ATOM 125 N LEU A 12 11.729 2.447 1.669 1.00 0.00 N ATOM 126 CA LEU A 12 10.306 2.617 1.942 1.00 0.00 C ATOM 127 C LEU A 12 10.051 2.754 3.440 1.00 0.00 C ATOM 128 O LEU A 12 9.472 3.740 3.895 1.00 0.00 O ATOM 129 CB LEU A 12 9.513 1.434 1.384 1.00 0.00 C ATOM 130 CG LEU A 12 9.520 1.279 -0.137 1.00 0.00 C ATOM 131 CD1 LEU A 12 8.803 0.002 -0.546 1.00 0.00 C ATOM 132 CD2 LEU A 12 8.877 2.489 -0.799 1.00 0.00 C ATOM 0 H LEU A 12 11.952 1.643 1.082 1.00 0.00 H new ATOM 0 HA LEU A 12 9.975 3.532 1.451 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.907 0.518 1.824 1.00 0.00 H new ATOM 0 HB3 LEU A 12 8.479 1.527 1.715 1.00 0.00 H new ATOM 0 HG LEU A 12 10.555 1.214 -0.472 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.818 -0.092 -1.632 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.306 -0.856 -0.101 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.770 0.037 -0.199 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.891 2.362 -1.881 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.846 2.585 -0.458 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.433 3.388 -0.532 1.00 0.00 H new ATOM 144 N VAL A 13 10.490 1.757 4.203 1.00 0.00 N ATOM 145 CA VAL A 13 10.313 1.767 5.650 1.00 0.00 C ATOM 146 C VAL A 13 10.891 3.037 6.266 1.00 0.00 C ATOM 147 O VAL A 13 10.290 3.636 7.158 1.00 0.00 O ATOM 148 CB VAL A 13 10.980 0.543 6.305 1.00 0.00 C ATOM 149 CG1 VAL A 13 10.319 -0.742 5.831 1.00 0.00 C ATOM 150 CG2 VAL A 13 12.471 0.527 6.009 1.00 0.00 C ATOM 0 H VAL A 13 10.971 0.933 3.843 1.00 0.00 H new ATOM 0 HA VAL A 13 9.240 1.731 5.838 1.00 0.00 H new ATOM 0 HB VAL A 13 10.849 0.613 7.385 1.00 0.00 H new ATOM 0 HG11 VAL A 13 10.803 -1.596 6.304 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.263 -0.729 6.100 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.416 -0.823 4.748 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.926 -0.345 6.480 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.628 0.481 4.931 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.930 1.433 6.404 1.00 0.00 H new ATOM 160 N HIS A 14 12.061 3.443 5.783 1.00 0.00 N ATOM 161 CA HIS A 14 12.720 4.643 6.285 1.00 0.00 C ATOM 162 C HIS A 14 11.856 5.878 6.046 1.00 0.00 C ATOM 163 O HIS A 14 11.442 6.551 6.990 1.00 0.00 O ATOM 164 CB HIS A 14 14.082 4.821 5.613 1.00 0.00 C ATOM 165 CG HIS A 14 15.017 5.704 6.380 1.00 0.00 C ATOM 166 ND1 HIS A 14 15.770 6.697 5.789 1.00 0.00 N ATOM 167 CD2 HIS A 14 15.318 5.741 7.700 1.00 0.00 C ATOM 168 CE1 HIS A 14 16.495 7.305 6.711 1.00 0.00 C ATOM 169 NE2 HIS A 14 16.239 6.744 7.879 1.00 0.00 N ATOM 0 H HIS A 14 12.572 2.959 5.045 1.00 0.00 H new ATOM 0 HA HIS A 14 12.866 4.526 7.359 1.00 0.00 H new ATOM 0 HB2 HIS A 14 14.544 3.843 5.483 1.00 0.00 H new ATOM 0 HB3 HIS A 14 13.935 5.239 4.617 1.00 0.00 H new ATOM 0 HD2 HIS A 14 14.910 5.101 8.468 1.00 0.00 H new ATOM 0 HE1 HIS A 14 17.180 8.122 6.539 1.00 0.00 H new ATOM 0 HE2 HIS A 14 16.658 7.012 8.770 1.00 0.00 H new ATOM 178 N LYS A 15 11.588 6.170 4.778 1.00 0.00 N ATOM 179 CA LYS A 15 10.774 7.323 4.414 1.00 0.00 C ATOM 180 C LYS A 15 9.318 7.110 4.819 1.00 0.00 C ATOM 181 O LYS A 15 8.673 6.161 4.376 1.00 0.00 O ATOM 182 CB LYS A 15 10.863 7.581 2.908 1.00 0.00 C ATOM 183 CG LYS A 15 9.889 8.637 2.413 1.00 0.00 C ATOM 184 CD LYS A 15 9.550 8.438 0.946 1.00 0.00 C ATOM 185 CE LYS A 15 9.172 9.751 0.278 1.00 0.00 C ATOM 186 NZ LYS A 15 10.359 10.442 -0.297 1.00 0.00 N ATOM 0 H LYS A 15 11.923 5.623 3.985 1.00 0.00 H new ATOM 0 HA LYS A 15 11.159 8.192 4.948 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.878 7.891 2.660 1.00 0.00 H new ATOM 0 HB3 LYS A 15 10.676 6.648 2.376 1.00 0.00 H new ATOM 0 HG2 LYS A 15 8.976 8.598 3.007 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.321 9.627 2.557 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.404 7.999 0.430 1.00 0.00 H new ATOM 0 HD3 LYS A 15 8.725 7.731 0.855 1.00 0.00 H new ATOM 0 HE2 LYS A 15 8.445 9.561 -0.511 1.00 0.00 H new ATOM 0 HE3 LYS A 15 8.689 10.403 1.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.060 11.333 -0.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 11.042 10.646 0.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.805 9.830 -1.010 1.00 0.00 H new ATOM 200 N ALA A 16 8.807 8.002 5.662 1.00 0.00 N ATOM 201 CA ALA A 16 7.427 7.913 6.123 1.00 0.00 C ATOM 202 C ALA A 16 6.489 7.545 4.979 1.00 0.00 C ATOM 203 O ALA A 16 6.613 8.063 3.869 1.00 0.00 O ATOM 204 CB ALA A 16 6.998 9.227 6.758 1.00 0.00 C ATOM 0 H ALA A 16 9.328 8.794 6.039 1.00 0.00 H new ATOM 0 HA ALA A 16 7.370 7.124 6.873 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.965 9.147 7.098 1.00 0.00 H new ATOM 0 HB2 ALA A 16 7.644 9.448 7.608 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.077 10.029 6.024 1.00 0.00 H new ATOM 210 N VAL A 17 5.549 6.647 5.256 1.00 0.00 N ATOM 211 CA VAL A 17 4.589 6.209 4.250 1.00 0.00 C ATOM 212 C VAL A 17 3.612 7.326 3.900 1.00 0.00 C ATOM 213 O VAL A 17 3.073 7.370 2.794 1.00 0.00 O ATOM 214 CB VAL A 17 3.795 4.979 4.729 1.00 0.00 C ATOM 215 CG1 VAL A 17 2.685 4.643 3.744 1.00 0.00 C ATOM 216 CG2 VAL A 17 4.723 3.790 4.926 1.00 0.00 C ATOM 0 H VAL A 17 5.432 6.208 6.169 1.00 0.00 H new ATOM 0 HA VAL A 17 5.162 5.939 3.363 1.00 0.00 H new ATOM 0 HB VAL A 17 3.336 5.215 5.689 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.135 3.771 4.099 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.005 5.491 3.659 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.118 4.426 2.768 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.145 2.930 5.265 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.212 3.550 3.982 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.477 4.037 5.673 1.00 0.00 H new ATOM 226 N ASP A 18 3.389 8.229 4.849 1.00 0.00 N ATOM 227 CA ASP A 18 2.478 9.348 4.642 1.00 0.00 C ATOM 228 C ASP A 18 3.078 10.365 3.676 1.00 0.00 C ATOM 229 O ASP A 18 2.468 11.393 3.380 1.00 0.00 O ATOM 230 CB ASP A 18 2.153 10.023 5.975 1.00 0.00 C ATOM 231 CG ASP A 18 3.188 11.058 6.368 1.00 0.00 C ATOM 232 OD1 ASP A 18 4.308 10.661 6.751 1.00 0.00 O ATOM 233 OD2 ASP A 18 2.878 12.266 6.294 1.00 0.00 O ATOM 0 H ASP A 18 3.827 8.207 5.770 1.00 0.00 H new ATOM 0 HA ASP A 18 1.557 8.959 4.207 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.175 10.499 5.909 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.087 9.265 6.756 1.00 0.00 H new ATOM 238 N LYS A 19 4.279 10.073 3.188 1.00 0.00 N ATOM 239 CA LYS A 19 4.963 10.961 2.255 1.00 0.00 C ATOM 240 C LYS A 19 5.117 10.300 0.889 1.00 0.00 C ATOM 241 O LYS A 19 5.607 10.917 -0.057 1.00 0.00 O ATOM 242 CB LYS A 19 6.339 11.348 2.804 1.00 0.00 C ATOM 243 CG LYS A 19 6.322 12.606 3.654 1.00 0.00 C ATOM 244 CD LYS A 19 5.654 12.362 4.997 1.00 0.00 C ATOM 245 CE LYS A 19 6.104 13.377 6.036 1.00 0.00 C ATOM 246 NZ LYS A 19 5.547 14.732 5.767 1.00 0.00 N ATOM 0 H LYS A 19 4.799 9.228 3.423 1.00 0.00 H new ATOM 0 HA LYS A 19 4.359 11.860 2.138 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.729 10.522 3.399 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.026 11.492 1.970 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.343 12.953 3.812 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.795 13.398 3.123 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.571 12.414 4.881 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.889 11.356 5.344 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.791 13.046 7.026 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.193 13.428 6.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.877 15.394 6.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.866 15.059 4.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.508 14.690 5.783 1.00 0.00 H new ATOM 260 N TRP A 20 4.693 9.046 0.792 1.00 0.00 N ATOM 261 CA TRP A 20 4.783 8.303 -0.460 1.00 0.00 C ATOM 262 C TRP A 20 3.884 8.922 -1.525 1.00 0.00 C ATOM 263 O TRP A 20 3.026 9.752 -1.223 1.00 0.00 O ATOM 264 CB TRP A 20 4.397 6.839 -0.237 1.00 0.00 C ATOM 265 CG TRP A 20 5.334 6.111 0.678 1.00 0.00 C ATOM 266 CD1 TRP A 20 6.399 6.639 1.351 1.00 0.00 C ATOM 267 CD2 TRP A 20 5.291 4.721 1.020 1.00 0.00 C ATOM 268 NE1 TRP A 20 7.020 5.662 2.090 1.00 0.00 N ATOM 269 CE2 TRP A 20 6.359 4.476 1.904 1.00 0.00 C ATOM 270 CE3 TRP A 20 4.453 3.661 0.666 1.00 0.00 C ATOM 271 CZ2 TRP A 20 6.610 3.215 2.437 1.00 0.00 C ATOM 272 CZ3 TRP A 20 4.703 2.409 1.195 1.00 0.00 C ATOM 273 CH2 TRP A 20 5.773 2.195 2.074 1.00 0.00 C ATOM 0 H TRP A 20 4.283 8.522 1.565 1.00 0.00 H new ATOM 0 HA TRP A 20 5.815 8.350 -0.809 1.00 0.00 H new ATOM 0 HB2 TRP A 20 3.389 6.795 0.177 1.00 0.00 H new ATOM 0 HB3 TRP A 20 4.369 6.327 -1.199 1.00 0.00 H new ATOM 0 HD1 TRP A 20 6.707 7.673 1.308 1.00 0.00 H new ATOM 0 HE1 TRP A 20 7.840 5.797 2.681 1.00 0.00 H new ATOM 0 HE3 TRP A 20 3.625 3.817 -0.009 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 7.436 3.048 3.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 4.063 1.582 0.926 1.00 0.00 H new ATOM 0 HH2 TRP A 20 5.940 1.205 2.473 1.00 0.00 H new ATOM 284 N THR A 21 4.086 8.513 -2.774 1.00 0.00 N ATOM 285 CA THR A 21 3.295 9.028 -3.884 1.00 0.00 C ATOM 286 C THR A 21 2.534 7.908 -4.584 1.00 0.00 C ATOM 287 O THR A 21 2.837 6.728 -4.400 1.00 0.00 O ATOM 288 CB THR A 21 4.179 9.755 -4.915 1.00 0.00 C ATOM 289 OG1 THR A 21 5.340 8.969 -5.205 1.00 0.00 O ATOM 290 CG2 THR A 21 4.602 11.122 -4.397 1.00 0.00 C ATOM 0 H THR A 21 4.791 7.826 -3.042 1.00 0.00 H new ATOM 0 HA THR A 21 2.584 9.738 -3.462 1.00 0.00 H new ATOM 0 HB THR A 21 3.597 9.894 -5.826 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.896 9.437 -5.862 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.225 11.616 -5.142 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.717 11.728 -4.205 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.167 11.002 -3.473 1.00 0.00 H new ATOM 298 N THR A 22 1.545 8.283 -5.388 1.00 0.00 N ATOM 299 CA THR A 22 0.740 7.309 -6.116 1.00 0.00 C ATOM 300 C THR A 22 1.616 6.226 -6.735 1.00 0.00 C ATOM 301 O THR A 22 1.162 5.105 -6.962 1.00 0.00 O ATOM 302 CB THR A 22 -0.087 7.983 -7.227 1.00 0.00 C ATOM 303 OG1 THR A 22 -0.558 9.259 -6.783 1.00 0.00 O ATOM 304 CG2 THR A 22 -1.268 7.111 -7.626 1.00 0.00 C ATOM 0 H THR A 22 1.282 9.255 -5.552 1.00 0.00 H new ATOM 0 HA THR A 22 0.062 6.855 -5.394 1.00 0.00 H new ATOM 0 HB THR A 22 0.556 8.118 -8.097 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.081 9.681 -7.496 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.838 7.607 -8.412 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.904 6.151 -7.992 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.910 6.949 -6.760 1.00 0.00 H new ATOM 312 N GLU A 23 2.872 6.568 -7.005 1.00 0.00 N ATOM 313 CA GLU A 23 3.810 5.623 -7.598 1.00 0.00 C ATOM 314 C GLU A 23 4.373 4.679 -6.539 1.00 0.00 C ATOM 315 O GLU A 23 4.199 3.463 -6.622 1.00 0.00 O ATOM 316 CB GLU A 23 4.951 6.369 -8.291 1.00 0.00 C ATOM 317 CG GLU A 23 5.554 5.610 -9.461 1.00 0.00 C ATOM 318 CD GLU A 23 6.955 6.079 -9.801 1.00 0.00 C ATOM 319 OE1 GLU A 23 7.083 7.105 -10.501 1.00 0.00 O ATOM 320 OE2 GLU A 23 7.924 5.420 -9.367 1.00 0.00 O ATOM 0 H GLU A 23 3.263 7.492 -6.822 1.00 0.00 H new ATOM 0 HA GLU A 23 3.271 5.031 -8.338 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.582 7.332 -8.645 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.734 6.576 -7.561 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.578 4.546 -9.225 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.913 5.728 -10.335 1.00 0.00 H new ATOM 327 N GLU A 24 5.049 5.248 -5.546 1.00 0.00 N ATOM 328 CA GLU A 24 5.640 4.457 -4.473 1.00 0.00 C ATOM 329 C GLU A 24 4.592 3.561 -3.818 1.00 0.00 C ATOM 330 O GLU A 24 4.851 2.392 -3.531 1.00 0.00 O ATOM 331 CB GLU A 24 6.271 5.374 -3.423 1.00 0.00 C ATOM 332 CG GLU A 24 7.524 6.083 -3.908 1.00 0.00 C ATOM 333 CD GLU A 24 8.354 5.226 -4.844 1.00 0.00 C ATOM 334 OE1 GLU A 24 9.191 4.443 -4.348 1.00 0.00 O ATOM 335 OE2 GLU A 24 8.165 5.338 -6.074 1.00 0.00 O ATOM 0 H GLU A 24 5.201 6.253 -5.462 1.00 0.00 H new ATOM 0 HA GLU A 24 6.415 3.824 -4.906 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.538 6.120 -3.116 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.516 4.785 -2.539 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.241 7.003 -4.419 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.131 6.369 -3.049 1.00 0.00 H new ATOM 342 N VAL A 25 3.408 4.118 -3.584 1.00 0.00 N ATOM 343 CA VAL A 25 2.321 3.371 -2.964 1.00 0.00 C ATOM 344 C VAL A 25 2.114 2.027 -3.654 1.00 0.00 C ATOM 345 O VAL A 25 2.043 0.986 -3.001 1.00 0.00 O ATOM 346 CB VAL A 25 1.001 4.164 -3.003 1.00 0.00 C ATOM 347 CG1 VAL A 25 -0.161 3.289 -2.559 1.00 0.00 C ATOM 348 CG2 VAL A 25 1.103 5.410 -2.136 1.00 0.00 C ATOM 0 H VAL A 25 3.178 5.084 -3.815 1.00 0.00 H new ATOM 0 HA VAL A 25 2.605 3.203 -1.925 1.00 0.00 H new ATOM 0 HB VAL A 25 0.816 4.478 -4.030 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.085 3.866 -2.593 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.245 2.430 -3.225 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.013 2.942 -1.540 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.162 5.958 -2.175 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.312 5.121 -1.106 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.909 6.045 -2.505 1.00 0.00 H new ATOM 358 N VAL A 26 2.018 2.058 -4.980 1.00 0.00 N ATOM 359 CA VAL A 26 1.821 0.842 -5.760 1.00 0.00 C ATOM 360 C VAL A 26 3.060 -0.045 -5.717 1.00 0.00 C ATOM 361 O VAL A 26 2.958 -1.273 -5.694 1.00 0.00 O ATOM 362 CB VAL A 26 1.485 1.165 -7.228 1.00 0.00 C ATOM 363 CG1 VAL A 26 1.440 -0.108 -8.059 1.00 0.00 C ATOM 364 CG2 VAL A 26 0.166 1.918 -7.319 1.00 0.00 C ATOM 0 H VAL A 26 2.073 2.911 -5.536 1.00 0.00 H new ATOM 0 HA VAL A 26 0.982 0.311 -5.311 1.00 0.00 H new ATOM 0 HB VAL A 26 2.271 1.804 -7.630 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.201 0.141 -9.093 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.410 -0.603 -8.020 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.676 -0.776 -7.661 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.056 2.138 -8.363 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.632 1.306 -6.900 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.240 2.850 -6.759 1.00 0.00 H new ATOM 374 N LEU A 27 4.231 0.583 -5.707 1.00 0.00 N ATOM 375 CA LEU A 27 5.492 -0.150 -5.667 1.00 0.00 C ATOM 376 C LEU A 27 5.569 -1.034 -4.426 1.00 0.00 C ATOM 377 O LEU A 27 5.821 -2.235 -4.523 1.00 0.00 O ATOM 378 CB LEU A 27 6.671 0.825 -5.686 1.00 0.00 C ATOM 379 CG LEU A 27 7.220 1.186 -7.067 1.00 0.00 C ATOM 380 CD1 LEU A 27 8.378 2.164 -6.941 1.00 0.00 C ATOM 381 CD2 LEU A 27 7.657 -0.067 -7.812 1.00 0.00 C ATOM 0 H LEU A 27 4.334 1.598 -5.726 1.00 0.00 H new ATOM 0 HA LEU A 27 5.541 -0.789 -6.549 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.365 1.744 -5.187 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.481 0.396 -5.096 1.00 0.00 H new ATOM 0 HG LEU A 27 6.426 1.666 -7.639 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.756 2.410 -7.933 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.034 3.073 -6.448 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.175 1.711 -6.351 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.045 0.209 -8.792 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.436 -0.575 -7.244 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.804 -0.734 -7.934 1.00 0.00 H new ATOM 393 N TRP A 28 5.347 -0.432 -3.263 1.00 0.00 N ATOM 394 CA TRP A 28 5.389 -1.166 -2.003 1.00 0.00 C ATOM 395 C TRP A 28 4.421 -2.343 -2.026 1.00 0.00 C ATOM 396 O TRP A 28 4.746 -3.437 -1.561 1.00 0.00 O ATOM 397 CB TRP A 28 5.053 -0.236 -0.836 1.00 0.00 C ATOM 398 CG TRP A 28 4.666 -0.967 0.413 1.00 0.00 C ATOM 399 CD1 TRP A 28 5.510 -1.506 1.342 1.00 0.00 C ATOM 400 CD2 TRP A 28 3.337 -1.241 0.869 1.00 0.00 C ATOM 401 NE1 TRP A 28 4.785 -2.098 2.348 1.00 0.00 N ATOM 402 CE2 TRP A 28 3.449 -1.948 2.082 1.00 0.00 C ATOM 403 CE3 TRP A 28 2.062 -0.955 0.372 1.00 0.00 C ATOM 404 CZ2 TRP A 28 2.336 -2.374 2.801 1.00 0.00 C ATOM 405 CZ3 TRP A 28 0.958 -1.378 1.088 1.00 0.00 C ATOM 406 CH2 TRP A 28 1.100 -2.080 2.292 1.00 0.00 C ATOM 0 H TRP A 28 5.136 0.561 -3.166 1.00 0.00 H new ATOM 0 HA TRP A 28 6.399 -1.553 -1.871 1.00 0.00 H new ATOM 0 HB2 TRP A 28 5.915 0.397 -0.626 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.237 0.424 -1.130 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.588 -1.472 1.293 1.00 0.00 H new ATOM 0 HE1 TRP A 28 5.178 -2.572 3.161 1.00 0.00 H new ATOM 0 HE3 TRP A 28 1.942 -0.413 -0.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.444 -2.917 3.728 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.032 -1.164 0.713 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.217 -2.395 2.829 1.00 0.00 H new ATOM 417 N LEU A 29 3.231 -2.114 -2.570 1.00 0.00 N ATOM 418 CA LEU A 29 2.214 -3.157 -2.654 1.00 0.00 C ATOM 419 C LEU A 29 2.559 -4.167 -3.744 1.00 0.00 C ATOM 420 O LEU A 29 2.151 -5.326 -3.681 1.00 0.00 O ATOM 421 CB LEU A 29 0.843 -2.539 -2.932 1.00 0.00 C ATOM 422 CG LEU A 29 -0.275 -3.519 -3.289 1.00 0.00 C ATOM 423 CD1 LEU A 29 -0.873 -4.129 -2.030 1.00 0.00 C ATOM 424 CD2 LEU A 29 -1.352 -2.824 -4.109 1.00 0.00 C ATOM 0 H LEU A 29 2.946 -1.215 -2.960 1.00 0.00 H new ATOM 0 HA LEU A 29 2.184 -3.678 -1.697 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.536 -1.974 -2.052 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.947 -1.825 -3.749 1.00 0.00 H new ATOM 0 HG LEU A 29 0.151 -4.322 -3.891 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.667 -4.824 -2.304 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.098 -4.663 -1.481 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.284 -3.338 -1.402 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.139 -3.537 -4.354 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.774 -2.001 -3.532 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.915 -2.436 -5.029 1.00 0.00 H new ATOM 436 N GLU A 30 3.315 -3.718 -4.742 1.00 0.00 N ATOM 437 CA GLU A 30 3.715 -4.584 -5.845 1.00 0.00 C ATOM 438 C GLU A 30 4.889 -5.472 -5.441 1.00 0.00 C ATOM 439 O GLU A 30 5.512 -6.115 -6.285 1.00 0.00 O ATOM 440 CB GLU A 30 4.093 -3.747 -7.069 1.00 0.00 C ATOM 441 CG GLU A 30 2.905 -3.371 -7.939 1.00 0.00 C ATOM 442 CD GLU A 30 3.309 -3.019 -9.357 1.00 0.00 C ATOM 443 OE1 GLU A 30 3.697 -1.856 -9.592 1.00 0.00 O ATOM 444 OE2 GLU A 30 3.237 -3.907 -10.232 1.00 0.00 O ATOM 0 H GLU A 30 3.662 -2.761 -4.809 1.00 0.00 H new ATOM 0 HA GLU A 30 2.868 -5.222 -6.097 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.592 -2.837 -6.736 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.812 -4.303 -7.671 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.199 -4.201 -7.962 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.386 -2.523 -7.492 1.00 0.00 H new ATOM 451 N GLN A 31 5.183 -5.500 -4.145 1.00 0.00 N ATOM 452 CA GLN A 31 6.283 -6.308 -3.629 1.00 0.00 C ATOM 453 C GLN A 31 5.768 -7.384 -2.679 1.00 0.00 C ATOM 454 O GLN A 31 6.411 -8.417 -2.487 1.00 0.00 O ATOM 455 CB GLN A 31 7.301 -5.421 -2.912 1.00 0.00 C ATOM 456 CG GLN A 31 8.199 -4.638 -3.856 1.00 0.00 C ATOM 457 CD GLN A 31 9.218 -3.789 -3.123 1.00 0.00 C ATOM 458 OE1 GLN A 31 8.778 -2.645 -2.611 1.00 0.00 O flip ATOM 459 NE2 GLN A 31 10.389 -4.156 -3.018 1.00 0.00 N flip ATOM 0 H GLN A 31 4.676 -4.973 -3.434 1.00 0.00 H new ATOM 0 HA GLN A 31 6.769 -6.797 -4.473 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.770 -4.722 -2.266 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.921 -6.043 -2.267 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.718 -5.332 -4.517 1.00 0.00 H new ATOM 0 HG3 GLN A 31 7.584 -3.997 -4.487 1.00 0.00 H new ATOM 0 HE21 GLN A 31 10.684 -5.043 -3.427 1.00 0.00 H new ATOM 0 HE22 GLN A 31 11.064 -3.573 -2.522 1.00 0.00 H new ATOM 468 N LEU A 32 4.606 -7.135 -2.085 1.00 0.00 N ATOM 469 CA LEU A 32 4.005 -8.083 -1.153 1.00 0.00 C ATOM 470 C LEU A 32 3.590 -9.364 -1.871 1.00 0.00 C ATOM 471 O LEU A 32 3.518 -10.432 -1.265 1.00 0.00 O ATOM 472 CB LEU A 32 2.791 -7.454 -0.467 1.00 0.00 C ATOM 473 CG LEU A 32 2.921 -5.976 -0.097 1.00 0.00 C ATOM 474 CD1 LEU A 32 1.699 -5.510 0.679 1.00 0.00 C ATOM 475 CD2 LEU A 32 4.190 -5.737 0.709 1.00 0.00 C ATOM 0 H LEU A 32 4.061 -6.285 -2.232 1.00 0.00 H new ATOM 0 HA LEU A 32 4.751 -8.336 -0.399 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.928 -7.569 -1.123 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.579 -8.018 0.441 1.00 0.00 H new ATOM 0 HG LEU A 32 2.984 -5.396 -1.017 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.810 -4.456 0.933 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.807 -5.644 0.067 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.603 -6.096 1.593 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.266 -4.680 0.963 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.157 -6.329 1.624 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.057 -6.031 0.118 1.00 0.00 H new ATOM 487 N GLY A 33 3.320 -9.248 -3.168 1.00 0.00 N ATOM 488 CA GLY A 33 2.918 -10.405 -3.948 1.00 0.00 C ATOM 489 C GLY A 33 2.559 -10.045 -5.376 1.00 0.00 C ATOM 490 O GLY A 33 2.369 -8.877 -5.715 1.00 0.00 O ATOM 0 H GLY A 33 3.372 -8.375 -3.692 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.727 -11.135 -3.953 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.062 -10.882 -3.470 1.00 0.00 H new ATOM 494 N PRO A 34 2.464 -11.065 -6.241 1.00 0.00 N ATOM 495 CA PRO A 34 2.126 -10.875 -7.655 1.00 0.00 C ATOM 496 C PRO A 34 0.676 -10.444 -7.851 1.00 0.00 C ATOM 497 O PRO A 34 0.334 -9.828 -8.861 1.00 0.00 O ATOM 498 CB PRO A 34 2.359 -12.259 -8.264 1.00 0.00 C ATOM 499 CG PRO A 34 2.187 -13.208 -7.128 1.00 0.00 C ATOM 500 CD PRO A 34 2.677 -12.483 -5.906 1.00 0.00 C ATOM 0 HA PRO A 34 2.722 -10.086 -8.114 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.647 -12.465 -9.063 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.356 -12.338 -8.698 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.142 -13.499 -7.017 1.00 0.00 H new ATOM 0 HG3 PRO A 34 2.756 -14.123 -7.294 1.00 0.00 H new ATOM 0 HD2 PRO A 34 2.119 -12.774 -5.016 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.727 -12.695 -5.707 1.00 0.00 H new ATOM 508 N TRP A 35 -0.170 -10.771 -6.882 1.00 0.00 N ATOM 509 CA TRP A 35 -1.583 -10.417 -6.949 1.00 0.00 C ATOM 510 C TRP A 35 -1.773 -8.909 -6.828 1.00 0.00 C ATOM 511 O TRP A 35 -2.842 -8.382 -7.134 1.00 0.00 O ATOM 512 CB TRP A 35 -2.362 -11.131 -5.843 1.00 0.00 C ATOM 513 CG TRP A 35 -1.702 -11.047 -4.501 1.00 0.00 C ATOM 514 CD1 TRP A 35 -1.108 -12.067 -3.814 1.00 0.00 C ATOM 515 CD2 TRP A 35 -1.569 -9.879 -3.683 1.00 0.00 C ATOM 516 NE1 TRP A 35 -0.614 -11.604 -2.618 1.00 0.00 N ATOM 517 CE2 TRP A 35 -0.884 -10.265 -2.514 1.00 0.00 C ATOM 518 CE3 TRP A 35 -1.961 -8.545 -3.825 1.00 0.00 C ATOM 519 CZ2 TRP A 35 -0.585 -9.364 -1.496 1.00 0.00 C ATOM 520 CZ3 TRP A 35 -1.664 -7.653 -2.813 1.00 0.00 C ATOM 521 CH2 TRP A 35 -0.981 -8.064 -1.661 1.00 0.00 C ATOM 0 H TRP A 35 0.098 -11.281 -6.040 1.00 0.00 H new ATOM 0 HA TRP A 35 -1.966 -10.736 -7.918 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.361 -10.700 -5.776 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.485 -12.180 -6.114 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -1.037 -13.088 -4.160 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -0.126 -12.166 -1.921 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -2.487 -8.218 -4.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -0.059 -9.679 -0.607 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -1.964 -6.620 -2.912 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -0.763 -7.342 -0.888 1.00 0.00 H new ATOM 532 N ALA A 36 -0.728 -8.219 -6.380 1.00 0.00 N ATOM 533 CA ALA A 36 -0.780 -6.771 -6.221 1.00 0.00 C ATOM 534 C ALA A 36 -1.146 -6.088 -7.534 1.00 0.00 C ATOM 535 O ALA A 36 -1.879 -5.099 -7.547 1.00 0.00 O ATOM 536 CB ALA A 36 0.553 -6.249 -5.706 1.00 0.00 C ATOM 0 H ALA A 36 0.164 -8.640 -6.121 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.556 -6.537 -5.492 1.00 0.00 H new ATOM 0 HB1 ALA A 36 0.500 -5.166 -5.592 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.774 -6.705 -4.741 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.341 -6.501 -6.416 1.00 0.00 H new ATOM 542 N SER A 37 -0.631 -6.621 -8.638 1.00 0.00 N ATOM 543 CA SER A 37 -0.901 -6.059 -9.956 1.00 0.00 C ATOM 544 C SER A 37 -2.389 -6.130 -10.282 1.00 0.00 C ATOM 545 O SER A 37 -2.860 -5.499 -11.230 1.00 0.00 O ATOM 546 CB SER A 37 -0.097 -6.803 -11.024 1.00 0.00 C ATOM 547 OG SER A 37 0.205 -5.954 -12.118 1.00 0.00 O ATOM 0 H SER A 37 -0.025 -7.441 -8.645 1.00 0.00 H new ATOM 0 HA SER A 37 -0.599 -5.012 -9.947 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.827 -7.183 -10.589 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.663 -7.666 -11.375 1.00 0.00 H new ATOM 0 HG SER A 37 0.720 -6.452 -12.786 1.00 0.00 H new ATOM 553 N LEU A 38 -3.126 -6.901 -9.491 1.00 0.00 N ATOM 554 CA LEU A 38 -4.563 -7.055 -9.694 1.00 0.00 C ATOM 555 C LEU A 38 -5.332 -5.923 -9.021 1.00 0.00 C ATOM 556 O LEU A 38 -6.525 -5.740 -9.264 1.00 0.00 O ATOM 557 CB LEU A 38 -5.033 -8.404 -9.146 1.00 0.00 C ATOM 558 CG LEU A 38 -4.363 -9.642 -9.742 1.00 0.00 C ATOM 559 CD1 LEU A 38 -4.446 -10.812 -8.775 1.00 0.00 C ATOM 560 CD2 LEU A 38 -4.999 -10.003 -11.076 1.00 0.00 C ATOM 0 H LEU A 38 -2.753 -7.430 -8.703 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.761 -7.016 -10.765 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.871 -8.412 -8.068 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.108 -8.484 -9.308 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.311 -9.414 -9.914 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.964 -11.684 -9.217 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.942 -10.551 -7.844 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.492 -11.041 -8.570 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.509 -10.887 -11.485 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.059 -10.211 -10.929 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.885 -9.171 -11.770 1.00 0.00 H new ATOM 572 N TYR A 39 -4.642 -5.166 -8.177 1.00 0.00 N ATOM 573 CA TYR A 39 -5.260 -4.051 -7.468 1.00 0.00 C ATOM 574 C TYR A 39 -4.588 -2.732 -7.836 1.00 0.00 C ATOM 575 O TYR A 39 -5.234 -1.685 -7.880 1.00 0.00 O ATOM 576 CB TYR A 39 -5.180 -4.273 -5.957 1.00 0.00 C ATOM 577 CG TYR A 39 -5.768 -5.591 -5.506 1.00 0.00 C ATOM 578 CD1 TYR A 39 -7.112 -5.696 -5.169 1.00 0.00 C ATOM 579 CD2 TYR A 39 -4.980 -6.732 -5.419 1.00 0.00 C ATOM 580 CE1 TYR A 39 -7.653 -6.898 -4.756 1.00 0.00 C ATOM 581 CE2 TYR A 39 -5.513 -7.939 -5.009 1.00 0.00 C ATOM 582 CZ TYR A 39 -6.850 -8.016 -4.678 1.00 0.00 C ATOM 583 OH TYR A 39 -7.386 -9.216 -4.268 1.00 0.00 O ATOM 0 H TYR A 39 -3.654 -5.303 -7.966 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.307 -4.000 -7.766 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -4.136 -4.225 -5.646 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -5.701 -3.460 -5.451 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -7.744 -4.823 -5.231 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.933 -6.674 -5.676 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -8.699 -6.962 -4.496 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -4.887 -8.817 -4.948 1.00 0.00 H new ATOM 0 HH TYR A 39 -6.688 -9.904 -4.269 1.00 0.00 H new ATOM 593 N ARG A 40 -3.287 -2.791 -8.100 1.00 0.00 N ATOM 594 CA ARG A 40 -2.526 -1.602 -8.464 1.00 0.00 C ATOM 595 C ARG A 40 -3.371 -0.654 -9.311 1.00 0.00 C ATOM 596 O ARG A 40 -3.483 0.533 -9.006 1.00 0.00 O ATOM 597 CB ARG A 40 -1.260 -1.995 -9.228 1.00 0.00 C ATOM 598 CG ARG A 40 -1.518 -2.387 -10.674 1.00 0.00 C ATOM 599 CD ARG A 40 -0.247 -2.868 -11.356 1.00 0.00 C ATOM 600 NE ARG A 40 0.498 -1.768 -11.963 1.00 0.00 N ATOM 601 CZ ARG A 40 0.242 -1.287 -13.174 1.00 0.00 C ATOM 602 NH1 ARG A 40 -0.735 -1.806 -13.904 1.00 0.00 N ATOM 603 NH2 ARG A 40 0.965 -0.285 -13.658 1.00 0.00 N ATOM 0 H ARG A 40 -2.738 -3.650 -8.069 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.243 -1.087 -7.546 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.559 -1.161 -9.206 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.780 -2.828 -8.715 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.272 -3.174 -10.710 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.923 -1.533 -11.217 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.385 -3.376 -10.628 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.502 -3.600 -12.122 1.00 0.00 H new ATOM 0 HE ARG A 40 1.257 -1.346 -11.427 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.292 -2.577 -13.536 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.929 -1.435 -14.834 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.718 0.117 -13.100 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.767 0.084 -14.588 1.00 0.00 H new ATOM 617 N ASP A 41 -3.962 -1.187 -10.375 1.00 0.00 N ATOM 618 CA ASP A 41 -4.796 -0.389 -11.265 1.00 0.00 C ATOM 619 C ASP A 41 -5.771 0.473 -10.469 1.00 0.00 C ATOM 620 O ASP A 41 -5.955 1.654 -10.765 1.00 0.00 O ATOM 621 CB ASP A 41 -5.567 -1.296 -12.226 1.00 0.00 C ATOM 622 CG ASP A 41 -4.722 -1.744 -13.402 1.00 0.00 C ATOM 623 OD1 ASP A 41 -3.783 -1.009 -13.773 1.00 0.00 O ATOM 624 OD2 ASP A 41 -4.999 -2.831 -13.951 1.00 0.00 O ATOM 0 H ASP A 41 -3.879 -2.168 -10.642 1.00 0.00 H new ATOM 0 HA ASP A 41 -4.144 0.268 -11.841 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -5.926 -2.172 -11.685 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.446 -0.767 -12.594 1.00 0.00 H new ATOM 629 N ARG A 42 -6.393 -0.125 -9.458 1.00 0.00 N ATOM 630 CA ARG A 42 -7.350 0.588 -8.621 1.00 0.00 C ATOM 631 C ARG A 42 -6.655 1.671 -7.801 1.00 0.00 C ATOM 632 O ARG A 42 -7.227 2.728 -7.536 1.00 0.00 O ATOM 633 CB ARG A 42 -8.071 -0.388 -7.690 1.00 0.00 C ATOM 634 CG ARG A 42 -8.650 -1.597 -8.405 1.00 0.00 C ATOM 635 CD ARG A 42 -9.866 -2.147 -7.676 1.00 0.00 C ATOM 636 NE ARG A 42 -10.776 -2.848 -8.578 1.00 0.00 N ATOM 637 CZ ARG A 42 -10.573 -4.088 -9.009 1.00 0.00 C ATOM 638 NH1 ARG A 42 -9.498 -4.760 -8.620 1.00 0.00 N ATOM 639 NH2 ARG A 42 -11.446 -4.658 -9.829 1.00 0.00 N ATOM 0 H ARG A 42 -6.251 -1.101 -9.199 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.081 1.065 -9.274 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.374 -0.729 -6.924 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.875 0.139 -7.177 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -8.929 -1.321 -9.422 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.889 -2.374 -8.483 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.540 -2.828 -6.890 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.397 -1.329 -7.189 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.613 -2.359 -8.894 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -8.825 -4.325 -7.989 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -9.344 -5.712 -8.952 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -12.274 -4.144 -10.129 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.289 -5.610 -10.159 1.00 0.00 H new ATOM 653 N PHE A 43 -5.417 1.399 -7.401 1.00 0.00 N ATOM 654 CA PHE A 43 -4.643 2.349 -6.610 1.00 0.00 C ATOM 655 C PHE A 43 -4.359 3.618 -7.408 1.00 0.00 C ATOM 656 O PHE A 43 -4.557 4.731 -6.918 1.00 0.00 O ATOM 657 CB PHE A 43 -3.328 1.714 -6.155 1.00 0.00 C ATOM 658 CG PHE A 43 -3.489 0.759 -5.007 1.00 0.00 C ATOM 659 CD1 PHE A 43 -4.461 -0.228 -5.042 1.00 0.00 C ATOM 660 CD2 PHE A 43 -2.667 0.847 -3.895 1.00 0.00 C ATOM 661 CE1 PHE A 43 -4.611 -1.108 -3.987 1.00 0.00 C ATOM 662 CE2 PHE A 43 -2.813 -0.031 -2.837 1.00 0.00 C ATOM 663 CZ PHE A 43 -3.786 -1.010 -2.884 1.00 0.00 C ATOM 0 H PHE A 43 -4.928 0.529 -7.612 1.00 0.00 H new ATOM 0 HA PHE A 43 -5.232 2.617 -5.733 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.879 1.186 -6.996 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.634 2.503 -5.866 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.108 -0.310 -5.903 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.904 1.610 -3.854 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -5.373 -1.872 -4.025 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.167 0.049 -1.975 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.901 -1.698 -2.059 1.00 0.00 H new ATOM 673 N LEU A 44 -3.894 3.443 -8.640 1.00 0.00 N ATOM 674 CA LEU A 44 -3.582 4.573 -9.508 1.00 0.00 C ATOM 675 C LEU A 44 -4.835 5.387 -9.815 1.00 0.00 C ATOM 676 O LEU A 44 -4.874 6.596 -9.585 1.00 0.00 O ATOM 677 CB LEU A 44 -2.948 4.082 -10.811 1.00 0.00 C ATOM 678 CG LEU A 44 -1.558 3.457 -10.686 1.00 0.00 C ATOM 679 CD1 LEU A 44 -0.666 4.312 -9.800 1.00 0.00 C ATOM 680 CD2 LEU A 44 -1.657 2.041 -10.138 1.00 0.00 C ATOM 0 H LEU A 44 -3.725 2.529 -9.060 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.873 5.215 -8.985 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.615 3.348 -11.263 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.886 4.923 -11.501 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.111 3.410 -11.679 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.319 3.851 -9.723 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.568 5.307 -10.234 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.108 4.391 -8.807 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.658 1.612 -10.056 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.124 2.064 -9.154 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.259 1.431 -10.812 1.00 0.00 H new ATOM 692 N SER A 45 -5.859 4.715 -10.333 1.00 0.00 N ATOM 693 CA SER A 45 -7.113 5.376 -10.673 1.00 0.00 C ATOM 694 C SER A 45 -7.664 6.145 -9.475 1.00 0.00 C ATOM 695 O SER A 45 -8.162 7.261 -9.617 1.00 0.00 O ATOM 696 CB SER A 45 -8.142 4.350 -11.150 1.00 0.00 C ATOM 697 OG SER A 45 -9.077 4.939 -12.038 1.00 0.00 O ATOM 0 H SER A 45 -5.844 3.714 -10.526 1.00 0.00 H new ATOM 0 HA SER A 45 -6.915 6.084 -11.478 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.633 3.525 -11.648 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.666 3.930 -10.292 1.00 0.00 H new ATOM 0 HG SER A 45 -9.723 4.262 -12.330 1.00 0.00 H new ATOM 703 N GLU A 46 -7.569 5.539 -8.296 1.00 0.00 N ATOM 704 CA GLU A 46 -8.058 6.166 -7.074 1.00 0.00 C ATOM 705 C GLU A 46 -6.996 7.080 -6.469 1.00 0.00 C ATOM 706 O GLU A 46 -7.136 7.549 -5.339 1.00 0.00 O ATOM 707 CB GLU A 46 -8.468 5.100 -6.056 1.00 0.00 C ATOM 708 CG GLU A 46 -9.785 4.418 -6.387 1.00 0.00 C ATOM 709 CD GLU A 46 -10.944 5.392 -6.463 1.00 0.00 C ATOM 710 OE1 GLU A 46 -11.468 5.776 -5.396 1.00 0.00 O ATOM 711 OE2 GLU A 46 -11.327 5.772 -7.589 1.00 0.00 O ATOM 0 H GLU A 46 -7.158 4.615 -8.161 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.930 6.769 -7.329 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.683 4.346 -5.996 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.544 5.560 -5.071 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.690 3.897 -7.340 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.999 3.663 -5.630 1.00 0.00 H new ATOM 718 N ARG A 47 -5.933 7.327 -7.228 1.00 0.00 N ATOM 719 CA ARG A 47 -4.847 8.182 -6.767 1.00 0.00 C ATOM 720 C ARG A 47 -4.498 7.881 -5.312 1.00 0.00 C ATOM 721 O ARG A 47 -4.169 8.784 -4.542 1.00 0.00 O ATOM 722 CB ARG A 47 -5.231 9.656 -6.916 1.00 0.00 C ATOM 723 CG ARG A 47 -5.302 10.123 -8.361 1.00 0.00 C ATOM 724 CD ARG A 47 -4.040 9.760 -9.127 1.00 0.00 C ATOM 725 NE ARG A 47 -3.852 10.603 -10.304 1.00 0.00 N ATOM 726 CZ ARG A 47 -3.514 11.886 -10.244 1.00 0.00 C ATOM 727 NH1 ARG A 47 -3.326 12.471 -9.069 1.00 0.00 N ATOM 728 NH2 ARG A 47 -3.362 12.587 -11.360 1.00 0.00 N ATOM 0 H ARG A 47 -5.801 6.947 -8.165 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.971 7.978 -7.383 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.199 9.821 -6.442 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.505 10.268 -6.380 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.167 9.672 -8.848 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.448 11.203 -8.389 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.176 9.858 -8.469 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -4.090 8.715 -9.434 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.988 10.183 -11.224 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.441 11.936 -8.208 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.066 13.456 -9.026 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.505 12.141 -12.266 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.102 13.572 -11.312 1.00 0.00 H new ATOM 742 N VAL A 48 -4.572 6.607 -4.943 1.00 0.00 N ATOM 743 CA VAL A 48 -4.263 6.186 -3.582 1.00 0.00 C ATOM 744 C VAL A 48 -2.813 6.494 -3.227 1.00 0.00 C ATOM 745 O VAL A 48 -1.916 5.694 -3.491 1.00 0.00 O ATOM 746 CB VAL A 48 -4.519 4.679 -3.388 1.00 0.00 C ATOM 747 CG1 VAL A 48 -4.200 4.263 -1.960 1.00 0.00 C ATOM 748 CG2 VAL A 48 -5.957 4.334 -3.744 1.00 0.00 C ATOM 0 H VAL A 48 -4.843 5.848 -5.568 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.923 6.747 -2.920 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.860 4.126 -4.058 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.387 3.196 -1.842 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.153 4.474 -1.745 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.832 4.821 -1.269 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.121 3.266 -3.601 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.636 4.894 -3.101 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.147 4.594 -4.785 1.00 0.00 H new ATOM 758 N ASN A 49 -2.591 7.658 -2.625 1.00 0.00 N ATOM 759 CA ASN A 49 -1.248 8.072 -2.234 1.00 0.00 C ATOM 760 C ASN A 49 -0.918 7.585 -0.826 1.00 0.00 C ATOM 761 O ASN A 49 -1.805 7.194 -0.069 1.00 0.00 O ATOM 762 CB ASN A 49 -1.122 9.595 -2.301 1.00 0.00 C ATOM 763 CG ASN A 49 -2.011 10.294 -1.291 1.00 0.00 C ATOM 764 OD1 ASN A 49 -1.650 10.436 -0.123 1.00 0.00 O ATOM 765 ND2 ASN A 49 -3.181 10.735 -1.738 1.00 0.00 N ATOM 0 H ASN A 49 -3.323 8.331 -2.397 1.00 0.00 H new ATOM 0 HA ASN A 49 -0.539 7.624 -2.930 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -0.084 9.879 -2.125 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -1.380 9.934 -3.304 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.821 11.213 -1.105 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.439 10.595 -2.715 1.00 0.00 H new ATOM 772 N GLY A 50 0.366 7.612 -0.483 1.00 0.00 N ATOM 773 CA GLY A 50 0.792 7.171 0.833 1.00 0.00 C ATOM 774 C GLY A 50 -0.157 7.616 1.928 1.00 0.00 C ATOM 775 O GLY A 50 -0.740 6.788 2.628 1.00 0.00 O ATOM 0 H GLY A 50 1.119 7.931 -1.093 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.868 6.084 0.842 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.789 7.562 1.039 1.00 0.00 H new ATOM 779 N ARG A 51 -0.311 8.928 2.079 1.00 0.00 N ATOM 780 CA ARG A 51 -1.193 9.481 3.099 1.00 0.00 C ATOM 781 C ARG A 51 -2.503 8.701 3.166 1.00 0.00 C ATOM 782 O ARG A 51 -2.948 8.306 4.245 1.00 0.00 O ATOM 783 CB ARG A 51 -1.479 10.956 2.810 1.00 0.00 C ATOM 784 CG ARG A 51 -1.751 11.779 4.058 1.00 0.00 C ATOM 785 CD ARG A 51 -3.214 11.705 4.467 1.00 0.00 C ATOM 786 NE ARG A 51 -3.555 12.712 5.468 1.00 0.00 N ATOM 787 CZ ARG A 51 -3.126 12.674 6.725 1.00 0.00 C ATOM 788 NH1 ARG A 51 -2.344 11.683 7.132 1.00 0.00 N ATOM 789 NH2 ARG A 51 -3.479 13.627 7.577 1.00 0.00 N ATOM 0 H ARG A 51 0.164 9.627 1.508 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.691 9.397 4.063 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.629 11.385 2.280 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.339 11.027 2.144 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.125 11.420 4.875 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.475 12.818 3.877 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.843 11.841 3.587 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.430 10.713 4.863 1.00 0.00 H new ATOM 0 HE ARG A 51 -4.155 13.487 5.187 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -2.071 10.948 6.480 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.016 11.656 8.097 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.081 14.390 7.268 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.149 13.597 8.542 1.00 0.00 H new ATOM 803 N LEU A 52 -3.116 8.484 2.008 1.00 0.00 N ATOM 804 CA LEU A 52 -4.375 7.752 1.935 1.00 0.00 C ATOM 805 C LEU A 52 -4.178 6.289 2.319 1.00 0.00 C ATOM 806 O LEU A 52 -5.031 5.686 2.972 1.00 0.00 O ATOM 807 CB LEU A 52 -4.962 7.846 0.525 1.00 0.00 C ATOM 808 CG LEU A 52 -6.387 7.318 0.354 1.00 0.00 C ATOM 809 CD1 LEU A 52 -7.302 7.895 1.423 1.00 0.00 C ATOM 810 CD2 LEU A 52 -6.914 7.645 -1.035 1.00 0.00 C ATOM 0 H LEU A 52 -2.762 8.805 1.107 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.070 8.204 2.642 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.943 8.891 0.214 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.309 7.299 -0.156 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.368 6.234 0.467 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.312 7.508 1.285 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.935 7.609 2.409 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.316 8.982 1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.929 7.262 -1.139 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.918 8.726 -1.178 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.273 7.182 -1.786 1.00 0.00 H new ATOM 822 N LEU A 53 -3.047 5.723 1.912 1.00 0.00 N ATOM 823 CA LEU A 53 -2.735 4.331 2.215 1.00 0.00 C ATOM 824 C LEU A 53 -2.661 4.105 3.722 1.00 0.00 C ATOM 825 O LEU A 53 -2.708 2.968 4.193 1.00 0.00 O ATOM 826 CB LEU A 53 -1.412 3.930 1.561 1.00 0.00 C ATOM 827 CG LEU A 53 -1.170 2.428 1.401 1.00 0.00 C ATOM 828 CD1 LEU A 53 -2.160 1.831 0.412 1.00 0.00 C ATOM 829 CD2 LEU A 53 0.260 2.163 0.952 1.00 0.00 C ATOM 0 H LEU A 53 -2.331 6.207 1.371 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.535 3.709 1.812 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.362 4.393 0.575 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.597 4.348 2.151 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.320 1.950 2.369 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.973 0.762 0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.176 1.989 0.774 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.041 2.314 -0.558 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.414 1.089 0.843 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.438 2.654 -0.005 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.954 2.556 1.696 1.00 0.00 H new ATOM 841 N LEU A 54 -2.546 5.195 4.473 1.00 0.00 N ATOM 842 CA LEU A 54 -2.467 5.116 5.927 1.00 0.00 C ATOM 843 C LEU A 54 -3.856 5.190 6.553 1.00 0.00 C ATOM 844 O LEU A 54 -4.225 4.350 7.374 1.00 0.00 O ATOM 845 CB LEU A 54 -1.590 6.245 6.472 1.00 0.00 C ATOM 846 CG LEU A 54 -0.082 6.074 6.283 1.00 0.00 C ATOM 847 CD1 LEU A 54 0.661 7.306 6.778 1.00 0.00 C ATOM 848 CD2 LEU A 54 0.407 4.828 7.006 1.00 0.00 C ATOM 0 H LEU A 54 -2.505 6.143 4.099 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.020 4.157 6.190 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.893 7.176 5.994 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.793 6.353 7.538 1.00 0.00 H new ATOM 0 HG LEU A 54 0.121 5.956 5.219 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.733 7.166 6.636 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.331 8.180 6.216 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.452 7.456 7.837 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.482 4.722 6.861 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.191 4.917 8.071 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.102 3.951 6.605 1.00 0.00 H new ATOM 860 N THR A 55 -4.625 6.200 6.157 1.00 0.00 N ATOM 861 CA THR A 55 -5.974 6.383 6.677 1.00 0.00 C ATOM 862 C THR A 55 -6.878 5.220 6.283 1.00 0.00 C ATOM 863 O THR A 55 -7.866 4.930 6.960 1.00 0.00 O ATOM 864 CB THR A 55 -6.598 7.697 6.172 1.00 0.00 C ATOM 865 OG1 THR A 55 -8.026 7.594 6.174 1.00 0.00 O ATOM 866 CG2 THR A 55 -6.110 8.023 4.768 1.00 0.00 C ATOM 0 H THR A 55 -4.336 6.904 5.478 1.00 0.00 H new ATOM 0 HA THR A 55 -5.891 6.423 7.763 1.00 0.00 H new ATOM 0 HB THR A 55 -6.291 8.500 6.842 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.415 8.434 5.853 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.564 8.955 4.432 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.025 8.130 4.775 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.391 7.218 4.089 1.00 0.00 H new ATOM 874 N LEU A 56 -6.534 4.556 5.185 1.00 0.00 N ATOM 875 CA LEU A 56 -7.315 3.423 4.700 1.00 0.00 C ATOM 876 C LEU A 56 -7.359 2.307 5.740 1.00 0.00 C ATOM 877 O LEU A 56 -6.337 1.952 6.329 1.00 0.00 O ATOM 878 CB LEU A 56 -6.725 2.894 3.392 1.00 0.00 C ATOM 879 CG LEU A 56 -7.071 3.686 2.131 1.00 0.00 C ATOM 880 CD1 LEU A 56 -6.180 3.262 0.973 1.00 0.00 C ATOM 881 CD2 LEU A 56 -8.538 3.504 1.772 1.00 0.00 C ATOM 0 H LEU A 56 -5.720 4.782 4.614 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.334 3.766 4.519 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.640 2.864 3.492 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.061 1.866 3.255 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.895 4.743 2.330 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.441 3.836 0.084 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.137 3.445 1.230 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.323 2.200 0.774 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.766 4.075 0.872 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.740 2.448 1.593 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.160 3.858 2.594 1.00 0.00 H new ATOM 893 N THR A 57 -8.548 1.755 5.959 1.00 0.00 N ATOM 894 CA THR A 57 -8.725 0.680 6.926 1.00 0.00 C ATOM 895 C THR A 57 -9.331 -0.556 6.269 1.00 0.00 C ATOM 896 O THR A 57 -9.835 -0.489 5.149 1.00 0.00 O ATOM 897 CB THR A 57 -9.625 1.118 8.096 1.00 0.00 C ATOM 898 OG1 THR A 57 -10.861 1.640 7.595 1.00 0.00 O ATOM 899 CG2 THR A 57 -8.932 2.172 8.947 1.00 0.00 C ATOM 0 H THR A 57 -9.403 2.035 5.479 1.00 0.00 H new ATOM 0 HA THR A 57 -7.735 0.436 7.311 1.00 0.00 H new ATOM 0 HB THR A 57 -9.825 0.245 8.718 1.00 0.00 H new ATOM 0 HG1 THR A 57 -11.428 1.915 8.345 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.587 2.466 9.767 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.006 1.762 9.351 1.00 0.00 H new ATOM 0 HG23 THR A 57 -8.706 3.044 8.333 1.00 0.00 H new ATOM 907 N GLU A 58 -9.278 -1.681 6.974 1.00 0.00 N ATOM 908 CA GLU A 58 -9.822 -2.932 6.458 1.00 0.00 C ATOM 909 C GLU A 58 -11.088 -2.679 5.645 1.00 0.00 C ATOM 910 O GLU A 58 -11.284 -3.269 4.583 1.00 0.00 O ATOM 911 CB GLU A 58 -10.124 -3.896 7.608 1.00 0.00 C ATOM 912 CG GLU A 58 -10.731 -5.212 7.154 1.00 0.00 C ATOM 913 CD GLU A 58 -11.651 -5.820 8.195 1.00 0.00 C ATOM 914 OE1 GLU A 58 -11.159 -6.588 9.048 1.00 0.00 O ATOM 915 OE2 GLU A 58 -12.865 -5.526 8.157 1.00 0.00 O ATOM 0 H GLU A 58 -8.864 -1.752 7.904 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.075 -3.382 5.804 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.202 -4.099 8.152 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.807 -3.412 8.307 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.288 -5.051 6.231 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.932 -5.917 6.925 1.00 0.00 H new ATOM 922 N GLU A 59 -11.945 -1.799 6.154 1.00 0.00 N ATOM 923 CA GLU A 59 -13.194 -1.470 5.476 1.00 0.00 C ATOM 924 C GLU A 59 -12.927 -0.950 4.067 1.00 0.00 C ATOM 925 O GLU A 59 -13.204 -1.631 3.080 1.00 0.00 O ATOM 926 CB GLU A 59 -13.975 -0.427 6.278 1.00 0.00 C ATOM 927 CG GLU A 59 -14.947 -1.031 7.278 1.00 0.00 C ATOM 928 CD GLU A 59 -14.348 -2.194 8.044 1.00 0.00 C ATOM 929 OE1 GLU A 59 -13.156 -2.113 8.408 1.00 0.00 O ATOM 930 OE2 GLU A 59 -15.070 -3.185 8.279 1.00 0.00 O ATOM 0 H GLU A 59 -11.798 -1.302 7.032 1.00 0.00 H new ATOM 0 HA GLU A 59 -13.789 -2.380 5.401 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -13.270 0.212 6.810 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -14.527 0.211 5.588 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -15.263 -0.261 7.982 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -15.840 -1.368 6.752 1.00 0.00 H new ATOM 937 N GLU A 60 -12.387 0.262 3.982 1.00 0.00 N ATOM 938 CA GLU A 60 -12.084 0.875 2.694 1.00 0.00 C ATOM 939 C GLU A 60 -11.566 -0.166 1.706 1.00 0.00 C ATOM 940 O GLU A 60 -11.981 -0.198 0.547 1.00 0.00 O ATOM 941 CB GLU A 60 -11.051 1.991 2.865 1.00 0.00 C ATOM 942 CG GLU A 60 -11.581 3.200 3.619 1.00 0.00 C ATOM 943 CD GLU A 60 -12.229 4.220 2.703 1.00 0.00 C ATOM 944 OE1 GLU A 60 -13.446 4.099 2.449 1.00 0.00 O ATOM 945 OE2 GLU A 60 -11.520 5.138 2.241 1.00 0.00 O ATOM 0 H GLU A 60 -12.151 0.838 4.790 1.00 0.00 H new ATOM 0 HA GLU A 60 -13.005 1.301 2.297 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.184 1.595 3.394 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.706 2.309 1.881 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.308 2.871 4.362 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.762 3.673 4.162 1.00 0.00 H new ATOM 952 N PHE A 61 -10.655 -1.014 2.172 1.00 0.00 N ATOM 953 CA PHE A 61 -10.078 -2.055 1.329 1.00 0.00 C ATOM 954 C PHE A 61 -11.154 -3.026 0.851 1.00 0.00 C ATOM 955 O PHE A 61 -11.162 -3.438 -0.309 1.00 0.00 O ATOM 956 CB PHE A 61 -8.992 -2.815 2.093 1.00 0.00 C ATOM 957 CG PHE A 61 -7.720 -2.035 2.263 1.00 0.00 C ATOM 958 CD1 PHE A 61 -7.157 -1.362 1.191 1.00 0.00 C ATOM 959 CD2 PHE A 61 -7.088 -1.975 3.494 1.00 0.00 C ATOM 960 CE1 PHE A 61 -5.987 -0.642 1.343 1.00 0.00 C ATOM 961 CE2 PHE A 61 -5.918 -1.257 3.653 1.00 0.00 C ATOM 962 CZ PHE A 61 -5.366 -0.590 2.576 1.00 0.00 C ATOM 0 H PHE A 61 -10.301 -1.001 3.128 1.00 0.00 H new ATOM 0 HA PHE A 61 -9.632 -1.577 0.457 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -9.375 -3.089 3.076 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -8.771 -3.744 1.567 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -7.638 -1.400 0.225 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -7.514 -2.495 4.339 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.559 -0.121 0.499 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.435 -1.217 4.618 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.451 -0.029 2.698 1.00 0.00 H new ATOM 972 N SER A 62 -12.060 -3.388 1.754 1.00 0.00 N ATOM 973 CA SER A 62 -13.138 -4.314 1.426 1.00 0.00 C ATOM 974 C SER A 62 -14.266 -3.596 0.691 1.00 0.00 C ATOM 975 O SER A 62 -15.203 -4.227 0.201 1.00 0.00 O ATOM 976 CB SER A 62 -13.679 -4.970 2.698 1.00 0.00 C ATOM 977 OG SER A 62 -14.754 -4.222 3.239 1.00 0.00 O ATOM 0 H SER A 62 -12.069 -3.054 2.718 1.00 0.00 H new ATOM 0 HA SER A 62 -12.735 -5.086 0.771 1.00 0.00 H new ATOM 0 HB2 SER A 62 -14.013 -5.983 2.475 1.00 0.00 H new ATOM 0 HB3 SER A 62 -12.881 -5.052 3.436 1.00 0.00 H new ATOM 0 HG SER A 62 -14.492 -3.281 3.316 1.00 0.00 H new ATOM 983 N ARG A 63 -14.168 -2.273 0.617 1.00 0.00 N ATOM 984 CA ARG A 63 -15.179 -1.468 -0.057 1.00 0.00 C ATOM 985 C ARG A 63 -14.740 -1.119 -1.475 1.00 0.00 C ATOM 986 O ARG A 63 -13.550 -0.960 -1.746 1.00 0.00 O ATOM 987 CB ARG A 63 -15.452 -0.187 0.734 1.00 0.00 C ATOM 988 CG ARG A 63 -15.969 -0.438 2.141 1.00 0.00 C ATOM 989 CD ARG A 63 -17.349 -1.076 2.123 1.00 0.00 C ATOM 990 NE ARG A 63 -18.334 -0.229 1.456 1.00 0.00 N ATOM 991 CZ ARG A 63 -19.510 -0.670 1.024 1.00 0.00 C ATOM 992 NH1 ARG A 63 -19.846 -1.942 1.187 1.00 0.00 N ATOM 993 NH2 ARG A 63 -20.353 0.162 0.426 1.00 0.00 N ATOM 0 H ARG A 63 -13.398 -1.736 1.016 1.00 0.00 H new ATOM 0 HA ARG A 63 -16.096 -2.055 -0.113 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -14.533 0.396 0.792 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -16.179 0.417 0.191 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -15.274 -1.087 2.675 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -16.010 0.504 2.688 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -17.297 -2.039 1.616 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -17.672 -1.271 3.146 1.00 0.00 H new ATOM 0 HE ARG A 63 -18.106 0.755 1.314 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -19.201 -2.585 1.645 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -20.750 -2.277 0.854 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -20.098 1.141 0.298 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -21.256 -0.178 0.095 1.00 0.00 H new ATOM 1007 N ALA A 64 -15.708 -1.001 -2.378 1.00 0.00 N ATOM 1008 CA ALA A 64 -15.422 -0.670 -3.768 1.00 0.00 C ATOM 1009 C ALA A 64 -14.723 0.682 -3.877 1.00 0.00 C ATOM 1010 O ALA A 64 -14.745 1.495 -2.953 1.00 0.00 O ATOM 1011 CB ALA A 64 -16.705 -0.671 -4.586 1.00 0.00 C ATOM 0 H ALA A 64 -16.698 -1.130 -2.171 1.00 0.00 H new ATOM 0 HA ALA A 64 -14.750 -1.430 -4.166 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -16.476 -0.422 -5.622 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -17.163 -1.659 -4.543 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -17.396 0.067 -4.180 1.00 0.00 H new ATOM 1017 N PRO A 65 -14.089 0.929 -5.032 1.00 0.00 N ATOM 1018 CA PRO A 65 -14.056 -0.032 -6.139 1.00 0.00 C ATOM 1019 C PRO A 65 -13.205 -1.256 -5.820 1.00 0.00 C ATOM 1020 O PRO A 65 -13.340 -2.301 -6.456 1.00 0.00 O ATOM 1021 CB PRO A 65 -13.433 0.768 -7.286 1.00 0.00 C ATOM 1022 CG PRO A 65 -12.620 1.821 -6.615 1.00 0.00 C ATOM 1023 CD PRO A 65 -13.353 2.165 -5.347 1.00 0.00 C ATOM 0 HA PRO A 65 -15.047 -0.426 -6.365 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -12.814 0.134 -7.920 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -14.199 1.207 -7.925 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -11.615 1.459 -6.399 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.513 2.698 -7.254 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -12.665 2.438 -4.547 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -14.028 3.009 -5.489 1.00 0.00 H new ATOM 1031 N TYR A 66 -12.328 -1.119 -4.831 1.00 0.00 N ATOM 1032 CA TYR A 66 -11.453 -2.213 -4.428 1.00 0.00 C ATOM 1033 C TYR A 66 -12.264 -3.448 -4.048 1.00 0.00 C ATOM 1034 O TYR A 66 -11.931 -4.569 -4.434 1.00 0.00 O ATOM 1035 CB TYR A 66 -10.573 -1.785 -3.252 1.00 0.00 C ATOM 1036 CG TYR A 66 -10.190 -0.323 -3.284 1.00 0.00 C ATOM 1037 CD1 TYR A 66 -9.670 0.254 -4.436 1.00 0.00 C ATOM 1038 CD2 TYR A 66 -10.348 0.481 -2.162 1.00 0.00 C ATOM 1039 CE1 TYR A 66 -9.317 1.590 -4.470 1.00 0.00 C ATOM 1040 CE2 TYR A 66 -9.999 1.818 -2.187 1.00 0.00 C ATOM 1041 CZ TYR A 66 -9.485 2.367 -3.343 1.00 0.00 C ATOM 1042 OH TYR A 66 -9.135 3.698 -3.371 1.00 0.00 O ATOM 0 H TYR A 66 -12.205 -0.261 -4.294 1.00 0.00 H new ATOM 0 HA TYR A 66 -10.816 -2.465 -5.276 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -11.099 -1.994 -2.320 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -9.666 -2.390 -3.249 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -9.539 -0.352 -5.320 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -10.750 0.054 -1.255 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -8.912 2.023 -5.373 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -10.128 2.429 -1.306 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.317 4.103 -2.497 1.00 0.00 H new ATOM 1052 N THR A 67 -13.334 -3.234 -3.287 1.00 0.00 N ATOM 1053 CA THR A 67 -14.194 -4.328 -2.853 1.00 0.00 C ATOM 1054 C THR A 67 -13.390 -5.604 -2.631 1.00 0.00 C ATOM 1055 O THR A 67 -13.848 -6.701 -2.955 1.00 0.00 O ATOM 1056 CB THR A 67 -15.308 -4.608 -3.879 1.00 0.00 C ATOM 1057 OG1 THR A 67 -16.253 -5.536 -3.335 1.00 0.00 O ATOM 1058 CG2 THR A 67 -14.727 -5.166 -5.170 1.00 0.00 C ATOM 0 H THR A 67 -13.625 -2.313 -2.959 1.00 0.00 H new ATOM 0 HA THR A 67 -14.648 -4.019 -1.911 1.00 0.00 H new ATOM 0 HB THR A 67 -15.811 -3.667 -4.102 1.00 0.00 H new ATOM 0 HG1 THR A 67 -15.777 -6.311 -2.970 1.00 0.00 H new ATOM 0 HG21 THR A 67 -15.533 -5.356 -5.879 1.00 0.00 H new ATOM 0 HG22 THR A 67 -14.030 -4.445 -5.597 1.00 0.00 H new ATOM 0 HG23 THR A 67 -14.202 -6.098 -4.960 1.00 0.00 H new ATOM 1066 N ILE A 68 -12.192 -5.455 -2.077 1.00 0.00 N ATOM 1067 CA ILE A 68 -11.326 -6.597 -1.811 1.00 0.00 C ATOM 1068 C ILE A 68 -12.107 -7.741 -1.173 1.00 0.00 C ATOM 1069 O ILE A 68 -12.343 -7.746 0.035 1.00 0.00 O ATOM 1070 CB ILE A 68 -10.155 -6.212 -0.888 1.00 0.00 C ATOM 1071 CG1 ILE A 68 -9.275 -5.155 -1.558 1.00 0.00 C ATOM 1072 CG2 ILE A 68 -9.335 -7.443 -0.532 1.00 0.00 C ATOM 1073 CD1 ILE A 68 -8.196 -4.604 -0.652 1.00 0.00 C ATOM 0 H ILE A 68 -11.799 -4.555 -1.803 1.00 0.00 H new ATOM 0 HA ILE A 68 -10.928 -6.923 -2.772 1.00 0.00 H new ATOM 0 HB ILE A 68 -10.560 -5.790 0.032 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -8.809 -5.590 -2.442 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -9.905 -4.334 -1.901 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -8.511 -7.155 0.121 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -9.969 -8.166 -0.019 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -8.937 -7.891 -1.443 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -7.611 -3.860 -1.193 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.656 -4.140 0.220 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -7.543 -5.415 -0.330 1.00 0.00 H new ATOM 1085 N GLU A 69 -12.502 -8.710 -1.993 1.00 0.00 N ATOM 1086 CA GLU A 69 -13.255 -9.861 -1.508 1.00 0.00 C ATOM 1087 C GLU A 69 -12.317 -10.940 -0.976 1.00 0.00 C ATOM 1088 O GLU A 69 -12.751 -11.890 -0.327 1.00 0.00 O ATOM 1089 CB GLU A 69 -14.130 -10.434 -2.625 1.00 0.00 C ATOM 1090 CG GLU A 69 -15.058 -9.410 -3.257 1.00 0.00 C ATOM 1091 CD GLU A 69 -16.156 -10.051 -4.083 1.00 0.00 C ATOM 1092 OE1 GLU A 69 -15.888 -10.418 -5.246 1.00 0.00 O ATOM 1093 OE2 GLU A 69 -17.285 -10.184 -3.565 1.00 0.00 O ATOM 0 H GLU A 69 -12.313 -8.721 -2.995 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.895 -9.526 -0.692 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -13.488 -10.856 -3.398 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -14.726 -11.254 -2.224 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -15.507 -8.799 -2.474 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.476 -8.740 -3.890 1.00 0.00 H new ATOM 1100 N ASN A 70 -11.027 -10.787 -1.259 1.00 0.00 N ATOM 1101 CA ASN A 70 -10.027 -11.749 -0.812 1.00 0.00 C ATOM 1102 C ASN A 70 -9.332 -11.261 0.456 1.00 0.00 C ATOM 1103 O ASN A 70 -8.282 -10.621 0.394 1.00 0.00 O ATOM 1104 CB ASN A 70 -8.992 -11.990 -1.913 1.00 0.00 C ATOM 1105 CG ASN A 70 -8.037 -13.117 -1.572 1.00 0.00 C ATOM 1106 OD1 ASN A 70 -7.489 -13.170 -0.470 1.00 0.00 O ATOM 1107 ND2 ASN A 70 -7.832 -14.025 -2.518 1.00 0.00 N ATOM 0 H ASN A 70 -10.650 -10.006 -1.796 1.00 0.00 H new ATOM 0 HA ASN A 70 -10.536 -12.687 -0.589 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.505 -12.222 -2.846 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.424 -11.075 -2.081 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -7.199 -14.806 -2.346 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.307 -13.942 -3.417 1.00 0.00 H new ATOM 1114 N SER A 71 -9.925 -11.568 1.605 1.00 0.00 N ATOM 1115 CA SER A 71 -9.366 -11.158 2.888 1.00 0.00 C ATOM 1116 C SER A 71 -7.844 -11.263 2.875 1.00 0.00 C ATOM 1117 O SER A 71 -7.142 -10.305 3.201 1.00 0.00 O ATOM 1118 CB SER A 71 -9.938 -12.019 4.016 1.00 0.00 C ATOM 1119 OG SER A 71 -11.318 -11.759 4.206 1.00 0.00 O ATOM 0 H SER A 71 -10.793 -12.099 1.674 1.00 0.00 H new ATOM 0 HA SER A 71 -9.640 -10.117 3.060 1.00 0.00 H new ATOM 0 HB2 SER A 71 -9.792 -13.074 3.782 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.396 -11.819 4.941 1.00 0.00 H new ATOM 0 HG SER A 71 -11.660 -12.323 4.931 1.00 0.00 H new ATOM 1125 N SER A 72 -7.340 -12.433 2.496 1.00 0.00 N ATOM 1126 CA SER A 72 -5.902 -12.666 2.443 1.00 0.00 C ATOM 1127 C SER A 72 -5.166 -11.415 1.973 1.00 0.00 C ATOM 1128 O SER A 72 -4.141 -11.033 2.539 1.00 0.00 O ATOM 1129 CB SER A 72 -5.587 -13.837 1.511 1.00 0.00 C ATOM 1130 OG SER A 72 -4.399 -14.500 1.909 1.00 0.00 O ATOM 0 H SER A 72 -7.907 -13.235 2.221 1.00 0.00 H new ATOM 0 HA SER A 72 -5.562 -12.911 3.449 1.00 0.00 H new ATOM 0 HB2 SER A 72 -6.419 -14.542 1.513 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.480 -13.474 0.489 1.00 0.00 H new ATOM 0 HG SER A 72 -4.220 -15.246 1.299 1.00 0.00 H new ATOM 1136 N HIS A 73 -5.697 -10.780 0.933 1.00 0.00 N ATOM 1137 CA HIS A 73 -5.092 -9.571 0.385 1.00 0.00 C ATOM 1138 C HIS A 73 -5.001 -8.479 1.448 1.00 0.00 C ATOM 1139 O HIS A 73 -3.931 -7.918 1.684 1.00 0.00 O ATOM 1140 CB HIS A 73 -5.900 -9.068 -0.811 1.00 0.00 C ATOM 1141 CG HIS A 73 -5.406 -7.766 -1.363 1.00 0.00 C ATOM 1142 ND1 HIS A 73 -6.238 -6.824 -1.930 1.00 0.00 N ATOM 1143 CD2 HIS A 73 -4.156 -7.251 -1.432 1.00 0.00 C ATOM 1144 CE1 HIS A 73 -5.522 -5.787 -2.324 1.00 0.00 C ATOM 1145 NE2 HIS A 73 -4.255 -6.020 -2.033 1.00 0.00 N ATOM 0 H HIS A 73 -6.545 -11.082 0.453 1.00 0.00 H new ATOM 0 HA HIS A 73 -4.083 -9.817 0.054 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.874 -9.821 -1.599 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -6.942 -8.955 -0.513 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -7.249 -6.914 -2.030 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -3.249 -7.721 -1.080 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -5.907 -4.899 -2.803 1.00 0.00 H new ATOM 1154 N ARG A 74 -6.130 -8.184 2.084 1.00 0.00 N ATOM 1155 CA ARG A 74 -6.177 -7.159 3.119 1.00 0.00 C ATOM 1156 C ARG A 74 -5.173 -7.459 4.228 1.00 0.00 C ATOM 1157 O ARG A 74 -4.518 -6.555 4.746 1.00 0.00 O ATOM 1158 CB ARG A 74 -7.587 -7.062 3.706 1.00 0.00 C ATOM 1159 CG ARG A 74 -8.552 -6.263 2.845 1.00 0.00 C ATOM 1160 CD ARG A 74 -9.775 -5.828 3.636 1.00 0.00 C ATOM 1161 NE ARG A 74 -10.845 -6.820 3.579 1.00 0.00 N ATOM 1162 CZ ARG A 74 -10.900 -7.887 4.368 1.00 0.00 C ATOM 1163 NH1 ARG A 74 -9.951 -8.099 5.269 1.00 0.00 N ATOM 1164 NH2 ARG A 74 -11.907 -8.745 4.257 1.00 0.00 N ATOM 0 H ARG A 74 -7.024 -8.640 1.901 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.913 -6.205 2.663 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -7.984 -8.068 3.844 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.530 -6.604 4.693 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -8.044 -5.385 2.446 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -8.864 -6.865 1.992 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.493 -5.658 4.675 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.140 -4.878 3.246 1.00 0.00 H new ATOM 0 HE ARG A 74 -11.591 -6.686 2.896 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -9.176 -7.442 5.358 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -9.996 -8.919 5.874 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -12.639 -8.585 3.565 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -11.948 -9.564 4.863 1.00 0.00 H new ATOM 1178 N ARG A 75 -5.058 -8.733 4.586 1.00 0.00 N ATOM 1179 CA ARG A 75 -4.135 -9.152 5.634 1.00 0.00 C ATOM 1180 C ARG A 75 -2.702 -8.757 5.287 1.00 0.00 C ATOM 1181 O ARG A 75 -1.942 -8.316 6.149 1.00 0.00 O ATOM 1182 CB ARG A 75 -4.221 -10.665 5.845 1.00 0.00 C ATOM 1183 CG ARG A 75 -3.419 -11.160 7.037 1.00 0.00 C ATOM 1184 CD ARG A 75 -1.965 -11.407 6.666 1.00 0.00 C ATOM 1185 NE ARG A 75 -1.335 -12.390 7.543 1.00 0.00 N ATOM 1186 CZ ARG A 75 -1.652 -13.680 7.549 1.00 0.00 C ATOM 1187 NH1 ARG A 75 -2.585 -14.141 6.727 1.00 0.00 N ATOM 1188 NH2 ARG A 75 -1.034 -14.513 8.377 1.00 0.00 N ATOM 0 H ARG A 75 -5.592 -9.493 4.166 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.420 -8.647 6.557 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.266 -10.946 5.979 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.868 -11.169 4.946 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.471 -10.427 7.842 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.860 -12.081 7.417 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.908 -11.753 5.634 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.413 -10.468 6.718 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.612 -12.068 8.186 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.061 -13.505 6.088 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.826 -15.132 6.734 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.315 -14.163 9.010 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.278 -15.503 8.381 1.00 0.00 H new ATOM 1202 N VAL A 76 -2.340 -8.919 4.018 1.00 0.00 N ATOM 1203 CA VAL A 76 -1.000 -8.580 3.556 1.00 0.00 C ATOM 1204 C VAL A 76 -0.776 -7.072 3.579 1.00 0.00 C ATOM 1205 O VAL A 76 0.235 -6.592 4.091 1.00 0.00 O ATOM 1206 CB VAL A 76 -0.749 -9.103 2.129 1.00 0.00 C ATOM 1207 CG1 VAL A 76 0.646 -8.720 1.658 1.00 0.00 C ATOM 1208 CG2 VAL A 76 -0.944 -10.611 2.073 1.00 0.00 C ATOM 0 H VAL A 76 -2.957 -9.283 3.292 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.299 -9.059 4.239 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.473 -8.641 1.458 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.806 -9.098 0.648 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.745 -7.635 1.659 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.388 -9.153 2.329 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.763 -10.964 1.058 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.244 -11.094 2.755 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.965 -10.857 2.366 1.00 0.00 H new ATOM 1218 N ILE A 77 -1.727 -6.330 3.021 1.00 0.00 N ATOM 1219 CA ILE A 77 -1.635 -4.876 2.979 1.00 0.00 C ATOM 1220 C ILE A 77 -1.575 -4.288 4.385 1.00 0.00 C ATOM 1221 O ILE A 77 -0.560 -3.719 4.790 1.00 0.00 O ATOM 1222 CB ILE A 77 -2.827 -4.257 2.227 1.00 0.00 C ATOM 1223 CG1 ILE A 77 -2.789 -4.655 0.750 1.00 0.00 C ATOM 1224 CG2 ILE A 77 -2.818 -2.743 2.373 1.00 0.00 C ATOM 1225 CD1 ILE A 77 -4.014 -4.224 -0.024 1.00 0.00 C ATOM 0 H ILE A 77 -2.570 -6.712 2.592 1.00 0.00 H new ATOM 0 HA ILE A 77 -0.715 -4.634 2.446 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.750 -4.639 2.663 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.904 -4.218 0.287 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.685 -5.738 0.676 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.667 -2.321 1.836 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.889 -2.479 3.428 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.892 -2.343 1.960 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -3.918 -4.540 -1.063 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -4.901 -4.682 0.414 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.108 -3.139 0.018 1.00 0.00 H new ATOM 1237 N LEU A 78 -2.668 -4.430 5.127 1.00 0.00 N ATOM 1238 CA LEU A 78 -2.740 -3.915 6.490 1.00 0.00 C ATOM 1239 C LEU A 78 -1.511 -4.327 7.294 1.00 0.00 C ATOM 1240 O LEU A 78 -0.746 -3.481 7.757 1.00 0.00 O ATOM 1241 CB LEU A 78 -4.008 -4.420 7.180 1.00 0.00 C ATOM 1242 CG LEU A 78 -5.301 -3.682 6.832 1.00 0.00 C ATOM 1243 CD1 LEU A 78 -6.511 -4.557 7.123 1.00 0.00 C ATOM 1244 CD2 LEU A 78 -5.391 -2.372 7.601 1.00 0.00 C ATOM 0 H LEU A 78 -3.516 -4.897 4.808 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.770 -2.827 6.440 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.137 -5.474 6.933 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.859 -4.361 8.258 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.291 -3.455 5.766 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.422 -4.015 6.869 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.453 -5.468 6.527 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.526 -4.816 8.182 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.318 -1.860 7.341 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -5.378 -2.577 8.671 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.542 -1.739 7.342 1.00 0.00 H new ATOM 1256 N THR A 79 -1.326 -5.634 7.454 1.00 0.00 N ATOM 1257 CA THR A 79 -0.190 -6.159 8.201 1.00 0.00 C ATOM 1258 C THR A 79 1.094 -5.424 7.837 1.00 0.00 C ATOM 1259 O THR A 79 1.680 -4.731 8.667 1.00 0.00 O ATOM 1260 CB THR A 79 0.003 -7.666 7.943 1.00 0.00 C ATOM 1261 OG1 THR A 79 -1.115 -8.398 8.456 1.00 0.00 O ATOM 1262 CG2 THR A 79 1.284 -8.166 8.594 1.00 0.00 C ATOM 0 H THR A 79 -1.949 -6.348 7.076 1.00 0.00 H new ATOM 0 HA THR A 79 -0.407 -6.003 9.258 1.00 0.00 H new ATOM 0 HB THR A 79 0.076 -7.822 6.867 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.742 -8.590 7.728 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.399 -9.232 8.399 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.137 -7.627 8.181 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.235 -7.997 9.670 1.00 0.00 H new ATOM 1270 N GLU A 80 1.527 -5.580 6.589 1.00 0.00 N ATOM 1271 CA GLU A 80 2.743 -4.930 6.116 1.00 0.00 C ATOM 1272 C GLU A 80 2.748 -3.449 6.486 1.00 0.00 C ATOM 1273 O GLU A 80 3.759 -2.915 6.944 1.00 0.00 O ATOM 1274 CB GLU A 80 2.876 -5.088 4.600 1.00 0.00 C ATOM 1275 CG GLU A 80 3.241 -6.497 4.165 1.00 0.00 C ATOM 1276 CD GLU A 80 4.739 -6.711 4.077 1.00 0.00 C ATOM 1277 OE1 GLU A 80 5.464 -5.727 3.820 1.00 0.00 O ATOM 1278 OE2 GLU A 80 5.187 -7.861 4.266 1.00 0.00 O ATOM 0 H GLU A 80 1.054 -6.151 5.888 1.00 0.00 H new ATOM 0 HA GLU A 80 3.593 -5.411 6.600 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.935 -4.804 4.130 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.636 -4.396 4.236 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.816 -7.212 4.870 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.791 -6.701 3.193 1.00 0.00 H new ATOM 1285 N LEU A 81 1.611 -2.791 6.284 1.00 0.00 N ATOM 1286 CA LEU A 81 1.483 -1.372 6.596 1.00 0.00 C ATOM 1287 C LEU A 81 1.716 -1.118 8.082 1.00 0.00 C ATOM 1288 O LEU A 81 2.220 -0.064 8.469 1.00 0.00 O ATOM 1289 CB LEU A 81 0.099 -0.864 6.191 1.00 0.00 C ATOM 1290 CG LEU A 81 0.003 -0.200 4.816 1.00 0.00 C ATOM 1291 CD1 LEU A 81 -1.421 -0.275 4.286 1.00 0.00 C ATOM 1292 CD2 LEU A 81 0.472 1.245 4.888 1.00 0.00 C ATOM 0 H LEU A 81 0.765 -3.218 5.906 1.00 0.00 H new ATOM 0 HA LEU A 81 2.242 -0.831 6.031 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.596 -1.703 6.216 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.238 -0.149 6.942 1.00 0.00 H new ATOM 0 HG LEU A 81 0.654 -0.738 4.127 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.471 0.202 3.307 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.721 -1.319 4.196 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.093 0.238 4.974 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.397 1.702 3.901 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.153 1.796 5.591 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.509 1.275 5.223 1.00 0.00 H new ATOM 1304 N GLU A 82 1.348 -2.091 8.908 1.00 0.00 N ATOM 1305 CA GLU A 82 1.519 -1.972 10.352 1.00 0.00 C ATOM 1306 C GLU A 82 2.999 -1.951 10.725 1.00 0.00 C ATOM 1307 O GLU A 82 3.373 -1.470 11.794 1.00 0.00 O ATOM 1308 CB GLU A 82 0.818 -3.129 11.068 1.00 0.00 C ATOM 1309 CG GLU A 82 0.613 -2.890 12.554 1.00 0.00 C ATOM 1310 CD GLU A 82 -0.634 -2.079 12.847 1.00 0.00 C ATOM 1311 OE1 GLU A 82 -1.747 -2.615 12.666 1.00 0.00 O ATOM 1312 OE2 GLU A 82 -0.497 -0.908 13.259 1.00 0.00 O ATOM 0 H GLU A 82 0.930 -2.970 8.603 1.00 0.00 H new ATOM 0 HA GLU A 82 1.069 -1.031 10.669 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.151 -3.302 10.599 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.404 -4.038 10.932 1.00 0.00 H new ATOM 0 HG2 GLU A 82 0.547 -3.850 13.067 1.00 0.00 H new ATOM 0 HG3 GLU A 82 1.482 -2.372 12.958 1.00 0.00 H new ATOM 1319 N ARG A 83 3.835 -2.475 9.834 1.00 0.00 N ATOM 1320 CA ARG A 83 5.273 -2.518 10.070 1.00 0.00 C ATOM 1321 C ARG A 83 5.953 -1.270 9.513 1.00 0.00 C ATOM 1322 O ARG A 83 6.593 -0.518 10.249 1.00 0.00 O ATOM 1323 CB ARG A 83 5.879 -3.769 9.432 1.00 0.00 C ATOM 1324 CG ARG A 83 5.062 -5.029 9.667 1.00 0.00 C ATOM 1325 CD ARG A 83 5.922 -6.279 9.559 1.00 0.00 C ATOM 1326 NE ARG A 83 6.027 -6.755 8.183 1.00 0.00 N ATOM 1327 CZ ARG A 83 7.026 -7.510 7.740 1.00 0.00 C ATOM 1328 NH1 ARG A 83 8.000 -7.874 8.562 1.00 0.00 N ATOM 1329 NH2 ARG A 83 7.051 -7.904 6.473 1.00 0.00 N ATOM 0 H ARG A 83 3.541 -2.875 8.943 1.00 0.00 H new ATOM 0 HA ARG A 83 5.438 -2.551 11.147 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.980 -3.607 8.359 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.884 -3.918 9.828 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.602 -4.987 10.654 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.252 -5.080 8.940 1.00 0.00 H new ATOM 0 HD2 ARG A 83 6.919 -6.068 9.946 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.498 -7.066 10.183 1.00 0.00 H new ATOM 0 HE ARG A 83 5.293 -6.493 7.525 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.983 -7.574 9.537 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.766 -8.454 8.220 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.302 -7.627 5.838 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.819 -8.484 6.134 1.00 0.00 H new ATOM 1343 N VAL A 84 5.809 -1.056 8.209 1.00 0.00 N ATOM 1344 CA VAL A 84 6.408 0.100 7.554 1.00 0.00 C ATOM 1345 C VAL A 84 6.128 1.380 8.333 1.00 0.00 C ATOM 1346 O VAL A 84 6.992 2.250 8.449 1.00 0.00 O ATOM 1347 CB VAL A 84 5.884 0.263 6.115 1.00 0.00 C ATOM 1348 CG1 VAL A 84 6.377 -0.875 5.234 1.00 0.00 C ATOM 1349 CG2 VAL A 84 4.365 0.335 6.106 1.00 0.00 C ATOM 0 H VAL A 84 5.283 -1.668 7.586 1.00 0.00 H new ATOM 0 HA VAL A 84 7.483 -0.075 7.524 1.00 0.00 H new ATOM 0 HB VAL A 84 6.272 1.198 5.710 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.996 -0.742 4.221 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.467 -0.875 5.215 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.022 -1.825 5.634 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.012 0.450 5.081 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.955 -0.581 6.530 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.038 1.188 6.700 1.00 0.00 H new ATOM 1359 N ARG A 85 4.916 1.488 8.867 1.00 0.00 N ATOM 1360 CA ARG A 85 4.521 2.662 9.636 1.00 0.00 C ATOM 1361 C ARG A 85 5.185 2.661 11.010 1.00 0.00 C ATOM 1362 O ARG A 85 5.685 3.687 11.470 1.00 0.00 O ATOM 1363 CB ARG A 85 3.000 2.708 9.793 1.00 0.00 C ATOM 1364 CG ARG A 85 2.487 1.917 10.984 1.00 0.00 C ATOM 1365 CD ARG A 85 0.975 2.020 11.112 1.00 0.00 C ATOM 1366 NE ARG A 85 0.567 3.229 11.823 1.00 0.00 N ATOM 1367 CZ ARG A 85 0.838 3.455 13.103 1.00 0.00 C ATOM 1368 NH1 ARG A 85 1.515 2.560 13.809 1.00 0.00 N ATOM 1369 NH2 ARG A 85 0.433 4.580 13.680 1.00 0.00 N ATOM 0 H ARG A 85 4.190 0.776 8.781 1.00 0.00 H new ATOM 0 HA ARG A 85 4.850 3.548 9.093 1.00 0.00 H new ATOM 0 HB2 ARG A 85 2.685 3.747 9.894 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.538 2.322 8.885 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.774 0.871 10.878 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.956 2.285 11.896 1.00 0.00 H new ATOM 0 HD2 ARG A 85 0.526 2.015 10.119 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.595 1.144 11.638 1.00 0.00 H new ATOM 0 HE ARG A 85 0.045 3.938 11.308 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.829 1.695 13.369 1.00 0.00 H new ATOM 0 HH12 ARG A 85 1.722 2.736 14.792 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -0.087 5.272 13.140 1.00 0.00 H new ATOM 0 HH22 ARG A 85 0.642 4.753 14.663 1.00 0.00 H new