USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 558 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 71 MET CE :methyl -174:sc= -0.504 (180deg=-0.554) USER MOD Set 1.2: A 72 THR OG1 : rot 83:sc= 0.195 USER MOD Set 2.1: A 42 THR OG1 : rot 180:sc= 0.167 USER MOD Set 2.2: A 44 THR OG1 : rot 109:sc= 0.668 USER MOD Set 3.1: A 35 GLN : amide:sc= 1.74 K(o=3.5,f=-0.09) USER MOD Set 3.2: A 49 ASN : amide:sc= 0.806 K(o=3.5,f=1.5) USER MOD Set 3.3: A 75 GLN : amide:sc= 0.909 K(o=3.5,f=-1.1) USER MOD Set 4.1: A 26 LYS NZ :NH3+ 180:sc= 0.892 (180deg=0) USER MOD Set 4.2: A 27 THR OG1 : rot -160:sc= 0.783 USER MOD Set 5.1: A 25 TYR OH : rot 16:sc= 1.21 USER MOD Set 5.2: A 32 GLN : amide:sc= -0.558 K(o=-2.4,f=-3.3) USER MOD Set 5.3: A 39 ASN : amide:sc= -3.09! C(o=-2.4!,f=-3!) USER MOD Single : A 11 GLN : amide:sc= 0.735 K(o=0.74,f=-3.5!) USER MOD Single : A 14 LYS NZ :NH3+ 151:sc= 0.774 (180deg=-0.68) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -56:sc= 0.354 USER MOD Single : A 38 LYS NZ :NH3+ 160:sc= -0.568 (180deg=-0.788) USER MOD Single : A 41 MET CE :methyl 169:sc= 0 (180deg=-0.131) USER MOD Single : A 48 GLN : amide:sc= 1 K(o=1,f=-0.74) USER MOD Single : A 51 ASN : amide:sc= -0.303 K(o=-0.3,f=-7.8!) USER MOD Single : A 54 CYS SG : rot -159:sc= 0.47 USER MOD Single : A 55 LYS NZ :NH3+ -109:sc= -1.72 (180deg=-2.76!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -156:sc= 1.2 (180deg=1.12) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.00955 USER MOD Single : A 70 MET CE :methyl -153:sc= 0 (180deg=-0.163) USER MOD Single : A 74 CYS SG : rot -53:sc= 0.553 USER MOD ----------------------------------------------------------------- ATOM 70 N ILE A 6 3.722 -12.159 -0.672 1.00 0.00 N ATOM 71 CA ILE A 6 2.383 -12.498 -0.149 1.00 0.00 C ATOM 72 C ILE A 6 1.991 -11.726 1.100 1.00 0.00 C ATOM 73 O ILE A 6 0.815 -11.442 1.295 1.00 0.00 O ATOM 74 CB ILE A 6 2.252 -14.018 0.113 1.00 0.00 C ATOM 75 CG1 ILE A 6 2.862 -14.497 1.454 1.00 0.00 C ATOM 76 CG2 ILE A 6 2.963 -14.757 -1.031 1.00 0.00 C ATOM 77 CD1 ILE A 6 1.972 -14.369 2.705 1.00 0.00 C ATOM 0 HA ILE A 6 1.688 -12.197 -0.933 1.00 0.00 H new ATOM 0 HB ILE A 6 1.185 -14.235 0.168 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.145 -15.544 1.344 1.00 0.00 H new ATOM 0 HG13 ILE A 6 3.779 -13.935 1.630 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.887 -15.833 -0.872 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.494 -14.496 -1.980 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.014 -14.467 -1.054 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.514 -14.737 3.576 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.708 -13.323 2.858 1.00 0.00 H new ATOM 0 HD13 ILE A 6 1.064 -14.956 2.567 1.00 0.00 H new ATOM 89 N LEU A 7 2.989 -11.413 1.931 1.00 0.00 N ATOM 90 CA LEU A 7 2.882 -10.717 3.229 1.00 0.00 C ATOM 91 C LEU A 7 2.034 -9.425 3.235 1.00 0.00 C ATOM 92 O LEU A 7 1.633 -8.939 4.289 1.00 0.00 O ATOM 93 CB LEU A 7 4.288 -10.528 3.837 1.00 0.00 C ATOM 94 CG LEU A 7 5.357 -9.832 2.966 1.00 0.00 C ATOM 95 CD1 LEU A 7 5.030 -8.383 2.605 1.00 0.00 C ATOM 96 CD2 LEU A 7 6.698 -9.835 3.704 1.00 0.00 C ATOM 0 H LEU A 7 3.955 -11.651 1.707 1.00 0.00 H new ATOM 0 HA LEU A 7 2.298 -11.372 3.876 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.181 -9.956 4.759 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.669 -11.511 4.114 1.00 0.00 H new ATOM 0 HG LEU A 7 5.391 -10.400 2.037 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.832 -7.971 1.993 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.094 -8.349 2.047 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.930 -7.794 3.517 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.453 -9.344 3.090 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.595 -9.300 4.648 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.003 -10.863 3.900 1.00 0.00 H new ATOM 108 N ASP A 8 1.716 -8.931 2.044 1.00 0.00 N ATOM 109 CA ASP A 8 0.767 -7.856 1.722 1.00 0.00 C ATOM 110 C ASP A 8 -0.660 -8.185 2.230 1.00 0.00 C ATOM 111 O ASP A 8 -1.416 -7.301 2.623 1.00 0.00 O ATOM 112 CB ASP A 8 0.825 -7.707 0.186 1.00 0.00 C ATOM 113 CG ASP A 8 0.487 -6.324 -0.373 1.00 0.00 C ATOM 114 OD1 ASP A 8 -0.701 -5.945 -0.436 1.00 0.00 O ATOM 115 OD2 ASP A 8 1.390 -5.659 -0.941 1.00 0.00 O ATOM 0 H ASP A 8 2.151 -9.302 1.199 1.00 0.00 H new ATOM 0 HA ASP A 8 1.029 -6.921 2.216 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.828 -7.975 -0.146 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.139 -8.431 -0.254 1.00 0.00 H new ATOM 120 N ILE A 9 -0.994 -9.482 2.309 1.00 0.00 N ATOM 121 CA ILE A 9 -2.298 -10.034 2.709 1.00 0.00 C ATOM 122 C ILE A 9 -2.197 -11.175 3.740 1.00 0.00 C ATOM 123 O ILE A 9 -3.043 -12.073 3.785 1.00 0.00 O ATOM 124 CB ILE A 9 -3.101 -10.493 1.472 1.00 0.00 C ATOM 125 CG1 ILE A 9 -2.388 -11.641 0.717 1.00 0.00 C ATOM 126 CG2 ILE A 9 -3.449 -9.347 0.512 1.00 0.00 C ATOM 127 CD1 ILE A 9 -3.357 -12.770 0.374 1.00 0.00 C ATOM 0 H ILE A 9 -0.323 -10.216 2.083 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.828 -9.221 3.205 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.045 -10.872 1.863 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -1.940 -11.253 -0.198 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.575 -12.031 1.329 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.013 -9.740 -0.334 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.051 -8.604 1.035 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.531 -8.882 0.152 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.823 -13.559 -0.155 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.785 -13.174 1.292 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.156 -12.384 -0.259 1.00 0.00 H new ATOM 139 N ARG A 10 -1.151 -11.176 4.573 1.00 0.00 N ATOM 140 CA ARG A 10 -0.932 -12.188 5.619 1.00 0.00 C ATOM 141 C ARG A 10 -2.046 -12.174 6.675 1.00 0.00 C ATOM 142 O ARG A 10 -2.016 -11.395 7.630 1.00 0.00 O ATOM 143 CB ARG A 10 0.495 -12.111 6.185 1.00 0.00 C ATOM 144 CG ARG A 10 0.883 -10.781 6.857 1.00 0.00 C ATOM 145 CD ARG A 10 0.951 -10.961 8.376 1.00 0.00 C ATOM 146 NE ARG A 10 1.258 -9.697 9.072 1.00 0.00 N ATOM 147 CZ ARG A 10 0.388 -8.831 9.564 1.00 0.00 C ATOM 148 NH1 ARG A 10 -0.903 -8.992 9.449 1.00 0.00 N ATOM 149 NH2 ARG A 10 0.820 -7.772 10.193 1.00 0.00 N ATOM 0 H ARG A 10 -0.421 -10.465 4.541 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.003 -13.175 5.162 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.620 -12.913 6.913 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.197 -12.304 5.374 1.00 0.00 H new ATOM 0 HG2 ARG A 10 1.847 -10.441 6.479 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.153 -10.011 6.606 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.000 -11.351 8.737 1.00 0.00 H new ATOM 0 HD3 ARG A 10 1.712 -11.702 8.619 1.00 0.00 H new ATOM 0 HE ARG A 10 2.245 -9.467 9.186 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.274 -9.810 8.965 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.540 -8.300 9.843 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.822 -7.617 10.302 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.155 -7.099 10.575 1.00 0.00 H new ATOM 163 N GLN A 11 -3.034 -13.051 6.474 1.00 0.00 N ATOM 164 CA GLN A 11 -4.207 -13.233 7.337 1.00 0.00 C ATOM 165 C GLN A 11 -3.820 -13.543 8.789 1.00 0.00 C ATOM 166 O GLN A 11 -4.515 -13.096 9.699 1.00 0.00 O ATOM 167 CB GLN A 11 -5.058 -14.374 6.753 1.00 0.00 C ATOM 168 CG GLN A 11 -6.379 -14.708 7.475 1.00 0.00 C ATOM 169 CD GLN A 11 -7.629 -14.120 6.811 1.00 0.00 C ATOM 170 OE1 GLN A 11 -7.892 -14.297 5.626 1.00 0.00 O ATOM 171 NE2 GLN A 11 -8.478 -13.443 7.556 1.00 0.00 N ATOM 0 H GLN A 11 -3.039 -13.681 5.672 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.773 -12.302 7.361 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -5.292 -14.125 5.718 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -4.446 -15.276 6.733 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.486 -15.791 7.528 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -6.321 -14.343 8.500 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -8.277 -13.285 8.543 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -9.337 -13.076 7.146 1.00 0.00 H new ATOM 180 N GLY A 12 -2.736 -14.300 9.026 1.00 0.00 N ATOM 181 CA GLY A 12 -2.382 -14.762 10.361 1.00 0.00 C ATOM 182 C GLY A 12 -2.833 -16.225 10.474 1.00 0.00 C ATOM 183 O GLY A 12 -4.026 -16.473 10.650 1.00 0.00 O ATOM 0 H GLY A 12 -2.090 -14.603 8.297 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.308 -14.678 10.524 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.869 -14.150 11.121 1.00 0.00 H new ATOM 187 N PRO A 13 -1.921 -17.204 10.354 1.00 0.00 N ATOM 188 CA PRO A 13 -2.217 -18.642 10.205 1.00 0.00 C ATOM 189 C PRO A 13 -2.768 -19.324 11.471 1.00 0.00 C ATOM 190 O PRO A 13 -2.822 -20.550 11.526 1.00 0.00 O ATOM 191 CB PRO A 13 -0.874 -19.265 9.804 1.00 0.00 C ATOM 192 CG PRO A 13 0.107 -18.393 10.579 1.00 0.00 C ATOM 193 CD PRO A 13 -0.484 -16.999 10.358 1.00 0.00 C ATOM 0 HA PRO A 13 -3.012 -18.781 9.473 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.806 -20.314 10.091 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.704 -19.217 8.728 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.146 -18.659 11.635 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.123 -18.474 10.192 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -0.184 -16.312 11.149 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -0.143 -16.569 9.416 1.00 0.00 H new ATOM 201 N LYS A 14 -3.140 -18.520 12.475 1.00 0.00 N ATOM 202 CA LYS A 14 -3.549 -18.884 13.849 1.00 0.00 C ATOM 203 C LYS A 14 -4.349 -20.196 13.950 1.00 0.00 C ATOM 204 O LYS A 14 -3.910 -21.147 14.583 1.00 0.00 O ATOM 205 CB LYS A 14 -4.366 -17.724 14.433 1.00 0.00 C ATOM 206 CG LYS A 14 -3.597 -16.428 14.730 1.00 0.00 C ATOM 207 CD LYS A 14 -4.526 -15.230 15.023 1.00 0.00 C ATOM 208 CE LYS A 14 -5.637 -15.519 16.050 1.00 0.00 C ATOM 209 NZ LYS A 14 -6.905 -15.961 15.414 1.00 0.00 N ATOM 0 H LYS A 14 -3.167 -17.509 12.341 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.636 -19.061 14.417 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.173 -17.491 13.738 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -4.831 -18.065 15.358 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.940 -16.589 15.585 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.959 -16.187 13.879 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.922 -14.398 15.385 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.987 -14.907 14.089 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.295 -16.288 16.742 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.824 -14.621 16.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.422 -16.584 16.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.490 -15.130 15.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.692 -16.478 14.537 1.00 0.00 H new ATOM 223 N GLU A 15 -5.516 -20.212 13.315 1.00 0.00 N ATOM 224 CA GLU A 15 -6.444 -21.334 13.193 1.00 0.00 C ATOM 225 C GLU A 15 -7.192 -21.449 11.832 1.00 0.00 C ATOM 226 O GLU A 15 -7.854 -22.474 11.629 1.00 0.00 O ATOM 227 CB GLU A 15 -7.533 -21.267 14.295 1.00 0.00 C ATOM 228 CG GLU A 15 -7.320 -20.421 15.562 1.00 0.00 C ATOM 229 CD GLU A 15 -7.614 -18.925 15.359 1.00 0.00 C ATOM 230 OE1 GLU A 15 -7.449 -18.381 14.239 1.00 0.00 O ATOM 231 OE2 GLU A 15 -7.956 -18.234 16.341 1.00 0.00 O ATOM 0 H GLU A 15 -5.865 -19.381 12.837 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.797 -22.206 13.287 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.447 -20.909 13.821 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.722 -22.290 14.621 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.960 -20.804 16.357 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.290 -20.538 15.898 1.00 0.00 H new ATOM 238 N PRO A 16 -7.190 -20.473 10.885 1.00 0.00 N ATOM 239 CA PRO A 16 -8.116 -20.495 9.744 1.00 0.00 C ATOM 240 C PRO A 16 -7.731 -21.428 8.580 1.00 0.00 C ATOM 241 O PRO A 16 -8.447 -21.417 7.585 1.00 0.00 O ATOM 242 CB PRO A 16 -8.200 -19.032 9.283 1.00 0.00 C ATOM 243 CG PRO A 16 -6.790 -18.518 9.535 1.00 0.00 C ATOM 244 CD PRO A 16 -6.445 -19.213 10.847 1.00 0.00 C ATOM 0 HA PRO A 16 -9.070 -20.913 10.067 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.477 -18.954 8.232 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.943 -18.471 9.850 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.104 -18.791 8.733 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -6.759 -17.432 9.625 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.373 -19.399 10.912 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.712 -18.584 11.696 1.00 0.00 H new ATOM 252 N PHE A 17 -6.664 -22.234 8.690 1.00 0.00 N ATOM 253 CA PHE A 17 -5.975 -23.035 7.654 1.00 0.00 C ATOM 254 C PHE A 17 -6.582 -22.960 6.241 1.00 0.00 C ATOM 255 O PHE A 17 -6.183 -22.106 5.464 1.00 0.00 O ATOM 256 CB PHE A 17 -5.762 -24.482 8.166 1.00 0.00 C ATOM 257 CG PHE A 17 -4.335 -24.846 8.539 1.00 0.00 C ATOM 258 CD1 PHE A 17 -3.519 -23.926 9.235 1.00 0.00 C ATOM 259 CD2 PHE A 17 -3.819 -26.118 8.200 1.00 0.00 C ATOM 260 CE1 PHE A 17 -2.198 -24.262 9.563 1.00 0.00 C ATOM 261 CE2 PHE A 17 -2.489 -26.444 8.521 1.00 0.00 C ATOM 262 CZ PHE A 17 -1.691 -25.523 9.213 1.00 0.00 C ATOM 0 H PHE A 17 -6.213 -22.357 9.597 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.000 -22.571 7.502 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -6.397 -24.636 9.039 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -6.105 -25.174 7.397 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -3.914 -22.961 9.515 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.445 -26.838 7.695 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.572 -23.552 10.084 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.083 -27.403 8.235 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.678 -25.786 9.479 1.00 0.00 H new ATOM 272 N ARG A 18 -7.574 -23.808 5.942 1.00 0.00 N ATOM 273 CA ARG A 18 -8.356 -23.894 4.690 1.00 0.00 C ATOM 274 C ARG A 18 -8.677 -22.540 4.033 1.00 0.00 C ATOM 275 O ARG A 18 -8.245 -22.252 2.915 1.00 0.00 O ATOM 276 CB ARG A 18 -9.632 -24.742 4.924 1.00 0.00 C ATOM 277 CG ARG A 18 -10.093 -25.033 6.376 1.00 0.00 C ATOM 278 CD ARG A 18 -10.639 -23.841 7.169 1.00 0.00 C ATOM 279 NE ARG A 18 -11.938 -23.370 6.668 1.00 0.00 N ATOM 280 CZ ARG A 18 -12.527 -22.240 7.018 1.00 0.00 C ATOM 281 NH1 ARG A 18 -12.113 -21.492 7.998 1.00 0.00 N ATOM 282 NH2 ARG A 18 -13.515 -21.785 6.318 1.00 0.00 N ATOM 0 H ARG A 18 -7.879 -24.509 6.618 1.00 0.00 H new ATOM 0 HA ARG A 18 -7.715 -24.392 3.963 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -10.455 -24.243 4.412 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -9.483 -25.702 4.429 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.864 -25.803 6.342 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.249 -25.451 6.925 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.740 -24.123 8.217 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.920 -23.023 7.127 1.00 0.00 H new ATOM 0 HE ARG A 18 -12.424 -23.963 5.996 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.294 -21.769 8.540 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -12.607 -20.629 8.225 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.838 -22.298 5.498 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -13.971 -20.913 6.586 1.00 0.00 H new ATOM 296 N ASP A 19 -9.387 -21.724 4.812 1.00 0.00 N ATOM 297 CA ASP A 19 -9.889 -20.386 4.465 1.00 0.00 C ATOM 298 C ASP A 19 -8.819 -19.580 3.735 1.00 0.00 C ATOM 299 O ASP A 19 -9.027 -19.114 2.623 1.00 0.00 O ATOM 300 CB ASP A 19 -10.286 -19.647 5.769 1.00 0.00 C ATOM 301 CG ASP A 19 -11.555 -18.796 5.704 1.00 0.00 C ATOM 302 OD1 ASP A 19 -11.499 -17.687 5.129 1.00 0.00 O ATOM 303 OD2 ASP A 19 -12.569 -19.270 6.270 1.00 0.00 O ATOM 0 H ASP A 19 -9.645 -21.992 5.762 1.00 0.00 H new ATOM 0 HA ASP A 19 -10.753 -20.490 3.808 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.411 -20.388 6.558 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.457 -19.004 6.064 1.00 0.00 H new ATOM 308 N TYR A 20 -7.656 -19.481 4.374 1.00 0.00 N ATOM 309 CA TYR A 20 -6.565 -18.595 3.994 1.00 0.00 C ATOM 310 C TYR A 20 -5.482 -19.279 3.154 1.00 0.00 C ATOM 311 O TYR A 20 -4.914 -18.626 2.275 1.00 0.00 O ATOM 312 CB TYR A 20 -5.991 -18.005 5.285 1.00 0.00 C ATOM 313 CG TYR A 20 -4.647 -17.329 5.123 1.00 0.00 C ATOM 314 CD1 TYR A 20 -4.469 -16.303 4.170 1.00 0.00 C ATOM 315 CD2 TYR A 20 -3.563 -17.758 5.913 1.00 0.00 C ATOM 316 CE1 TYR A 20 -3.198 -15.735 3.975 1.00 0.00 C ATOM 317 CE2 TYR A 20 -2.302 -17.167 5.743 1.00 0.00 C ATOM 318 CZ TYR A 20 -2.111 -16.181 4.759 1.00 0.00 C ATOM 319 OH TYR A 20 -0.866 -15.682 4.586 1.00 0.00 O ATOM 0 H TYR A 20 -7.442 -20.038 5.201 1.00 0.00 H new ATOM 0 HA TYR A 20 -6.954 -17.811 3.344 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.701 -17.282 5.686 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.896 -18.802 6.023 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -5.310 -15.954 3.590 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.702 -18.538 6.646 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -3.054 -14.964 3.232 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -1.476 -17.470 6.369 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.251 -16.110 5.218 1.00 0.00 H new ATOM 329 N VAL A 21 -5.237 -20.578 3.365 1.00 0.00 N ATOM 330 CA VAL A 21 -4.275 -21.362 2.581 1.00 0.00 C ATOM 331 C VAL A 21 -4.558 -21.246 1.098 1.00 0.00 C ATOM 332 O VAL A 21 -3.598 -21.110 0.354 1.00 0.00 O ATOM 333 CB VAL A 21 -4.157 -22.837 3.021 1.00 0.00 C ATOM 334 CG1 VAL A 21 -5.255 -23.788 2.562 1.00 0.00 C ATOM 335 CG2 VAL A 21 -2.834 -23.446 2.549 1.00 0.00 C ATOM 0 H VAL A 21 -5.705 -21.119 4.092 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.299 -20.922 2.785 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.238 -22.756 4.105 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.050 -24.790 2.940 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.216 -23.446 2.945 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.285 -23.810 1.473 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.776 -24.485 2.872 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.780 -23.401 1.461 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.003 -22.886 2.977 1.00 0.00 H new ATOM 345 N ASP A 22 -5.824 -21.169 0.671 1.00 0.00 N ATOM 346 CA ASP A 22 -6.100 -20.886 -0.737 1.00 0.00 C ATOM 347 C ASP A 22 -5.596 -19.500 -1.206 1.00 0.00 C ATOM 348 O ASP A 22 -4.799 -19.406 -2.141 1.00 0.00 O ATOM 349 CB ASP A 22 -7.594 -21.117 -0.986 1.00 0.00 C ATOM 350 CG ASP A 22 -7.858 -22.459 -1.687 1.00 0.00 C ATOM 351 OD1 ASP A 22 -7.078 -23.415 -1.455 1.00 0.00 O ATOM 352 OD2 ASP A 22 -8.809 -22.512 -2.495 1.00 0.00 O ATOM 0 H ASP A 22 -6.647 -21.294 1.260 1.00 0.00 H new ATOM 0 HA ASP A 22 -5.525 -21.574 -1.357 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.128 -21.092 -0.036 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.990 -20.305 -1.596 1.00 0.00 H new ATOM 357 N ARG A 23 -5.972 -18.397 -0.540 1.00 0.00 N ATOM 358 CA ARG A 23 -5.608 -17.016 -0.955 1.00 0.00 C ATOM 359 C ARG A 23 -4.131 -16.681 -0.924 1.00 0.00 C ATOM 360 O ARG A 23 -3.687 -15.730 -1.570 1.00 0.00 O ATOM 361 CB ARG A 23 -6.292 -15.944 -0.091 1.00 0.00 C ATOM 362 CG ARG A 23 -7.792 -16.123 -0.183 1.00 0.00 C ATOM 363 CD ARG A 23 -8.357 -16.867 1.005 1.00 0.00 C ATOM 364 NE ARG A 23 -8.714 -16.017 2.171 1.00 0.00 N ATOM 365 CZ ARG A 23 -9.789 -16.178 2.933 1.00 0.00 C ATOM 366 NH1 ARG A 23 -10.738 -17.000 2.616 1.00 0.00 N ATOM 367 NH2 ARG A 23 -9.934 -15.585 4.082 1.00 0.00 N ATOM 0 H ARG A 23 -6.540 -18.429 0.307 1.00 0.00 H new ATOM 0 HA ARG A 23 -5.951 -17.004 -1.990 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.965 -16.030 0.945 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -6.010 -14.948 -0.433 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.268 -15.145 -0.256 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.035 -16.665 -1.097 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.247 -17.409 0.685 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -7.629 -17.611 1.327 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.083 -15.250 2.404 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -10.673 -17.548 1.758 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.551 -17.100 3.224 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -9.203 -14.965 4.432 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.779 -15.740 4.633 1.00 0.00 H new ATOM 381 N PHE A 24 -3.422 -17.418 -0.096 1.00 0.00 N ATOM 382 CA PHE A 24 -1.956 -17.434 -0.071 1.00 0.00 C ATOM 383 C PHE A 24 -1.377 -18.357 -1.156 1.00 0.00 C ATOM 384 O PHE A 24 -0.651 -17.872 -2.037 1.00 0.00 O ATOM 385 CB PHE A 24 -1.437 -17.825 1.317 1.00 0.00 C ATOM 386 CG PHE A 24 0.026 -18.247 1.337 1.00 0.00 C ATOM 387 CD1 PHE A 24 1.033 -17.475 0.726 1.00 0.00 C ATOM 388 CD2 PHE A 24 0.374 -19.469 1.921 1.00 0.00 C ATOM 389 CE1 PHE A 24 2.362 -17.941 0.693 1.00 0.00 C ATOM 390 CE2 PHE A 24 1.705 -19.913 1.921 1.00 0.00 C ATOM 391 CZ PHE A 24 2.711 -19.159 1.289 1.00 0.00 C ATOM 0 H PHE A 24 -3.846 -18.037 0.595 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.615 -16.422 -0.290 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.570 -16.981 1.994 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -2.045 -18.643 1.704 1.00 0.00 H new ATOM 0 HD1 PHE A 24 0.786 -16.522 0.281 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.391 -20.079 2.378 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.122 -17.351 0.202 1.00 0.00 H new ATOM 0 HE2 PHE A 24 1.960 -20.842 2.410 1.00 0.00 H new ATOM 0 HZ PHE A 24 3.731 -19.512 1.264 1.00 0.00 H new ATOM 401 N TYR A 25 -1.686 -19.664 -1.120 1.00 0.00 N ATOM 402 CA TYR A 25 -1.067 -20.608 -2.057 1.00 0.00 C ATOM 403 C TYR A 25 -1.372 -20.255 -3.529 1.00 0.00 C ATOM 404 O TYR A 25 -0.496 -20.446 -4.370 1.00 0.00 O ATOM 405 CB TYR A 25 -1.309 -22.095 -1.752 1.00 0.00 C ATOM 406 CG TYR A 25 -0.222 -22.856 -0.981 1.00 0.00 C ATOM 407 CD1 TYR A 25 0.005 -22.639 0.393 1.00 0.00 C ATOM 408 CD2 TYR A 25 0.534 -23.858 -1.633 1.00 0.00 C ATOM 409 CE1 TYR A 25 0.930 -23.421 1.102 1.00 0.00 C ATOM 410 CE2 TYR A 25 1.469 -24.643 -0.920 1.00 0.00 C ATOM 411 CZ TYR A 25 1.653 -24.451 0.464 1.00 0.00 C ATOM 412 OH TYR A 25 2.465 -25.302 1.161 1.00 0.00 O ATOM 0 H TYR A 25 -2.347 -20.082 -0.465 1.00 0.00 H new ATOM 0 HA TYR A 25 0.003 -20.477 -1.897 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.237 -22.174 -1.186 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -1.469 -22.609 -2.700 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -0.540 -21.861 0.907 1.00 0.00 H new ATOM 0 HD2 TYR A 25 0.395 -24.026 -2.691 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.091 -23.231 2.153 1.00 0.00 H new ATOM 0 HE2 TYR A 25 2.046 -25.394 -1.439 1.00 0.00 H new ATOM 0 HH TYR A 25 2.256 -25.244 2.117 1.00 0.00 H new ATOM 422 N LYS A 26 -2.509 -19.600 -3.835 1.00 0.00 N ATOM 423 CA LYS A 26 -2.857 -19.024 -5.157 1.00 0.00 C ATOM 424 C LYS A 26 -1.756 -18.164 -5.807 1.00 0.00 C ATOM 425 O LYS A 26 -1.716 -18.035 -7.029 1.00 0.00 O ATOM 426 CB LYS A 26 -4.197 -18.244 -5.062 1.00 0.00 C ATOM 427 CG LYS A 26 -4.096 -16.871 -4.395 1.00 0.00 C ATOM 428 CD LYS A 26 -3.760 -15.693 -5.316 1.00 0.00 C ATOM 429 CE LYS A 26 -3.812 -14.410 -4.483 1.00 0.00 C ATOM 430 NZ LYS A 26 -3.185 -13.278 -5.202 1.00 0.00 N ATOM 0 H LYS A 26 -3.243 -19.449 -3.142 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.967 -19.875 -5.829 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -4.598 -18.115 -6.067 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.915 -18.849 -4.508 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.044 -16.660 -3.901 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.336 -16.924 -3.616 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.771 -15.823 -5.754 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.470 -15.640 -6.141 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.849 -14.167 -4.250 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.301 -14.569 -3.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.235 -12.422 -4.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.190 -13.503 -5.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -3.689 -13.113 -6.096 1.00 0.00 H new ATOM 444 N THR A 27 -0.876 -17.539 -5.012 1.00 0.00 N ATOM 445 CA THR A 27 0.216 -16.675 -5.481 1.00 0.00 C ATOM 446 C THR A 27 1.538 -17.417 -5.296 1.00 0.00 C ATOM 447 O THR A 27 2.268 -17.567 -6.277 1.00 0.00 O ATOM 448 CB THR A 27 0.171 -15.312 -4.747 1.00 0.00 C ATOM 449 OG1 THR A 27 -0.504 -14.330 -5.511 1.00 0.00 O ATOM 450 CG2 THR A 27 1.529 -14.691 -4.469 1.00 0.00 C ATOM 0 H THR A 27 -0.905 -17.623 -3.996 1.00 0.00 H new ATOM 0 HA THR A 27 0.108 -16.450 -6.542 1.00 0.00 H new ATOM 0 HB THR A 27 -0.331 -15.562 -3.812 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.251 -13.438 -5.194 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.396 -13.740 -3.953 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.116 -15.364 -3.844 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.052 -14.522 -5.411 1.00 0.00 H new ATOM 458 N LEU A 28 1.776 -17.960 -4.090 1.00 0.00 N ATOM 459 CA LEU A 28 2.920 -18.818 -3.715 1.00 0.00 C ATOM 460 C LEU A 28 3.372 -19.774 -4.829 1.00 0.00 C ATOM 461 O LEU A 28 4.559 -19.834 -5.135 1.00 0.00 O ATOM 462 CB LEU A 28 2.491 -19.612 -2.481 1.00 0.00 C ATOM 463 CG LEU A 28 3.502 -20.563 -1.828 1.00 0.00 C ATOM 464 CD1 LEU A 28 3.475 -21.951 -2.467 1.00 0.00 C ATOM 465 CD2 LEU A 28 4.932 -20.039 -1.704 1.00 0.00 C ATOM 0 H LEU A 28 1.143 -17.805 -3.306 1.00 0.00 H new ATOM 0 HA LEU A 28 3.783 -18.181 -3.520 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.172 -18.897 -1.722 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.614 -20.199 -2.754 1.00 0.00 H new ATOM 0 HG LEU A 28 3.152 -20.637 -0.798 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.206 -22.592 -1.975 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.480 -22.383 -2.357 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.719 -21.869 -3.526 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.557 -20.795 -1.228 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.325 -19.815 -2.696 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.936 -19.132 -1.099 1.00 0.00 H new ATOM 477 N ARG A 29 2.407 -20.467 -5.456 1.00 0.00 N ATOM 478 CA ARG A 29 2.584 -21.583 -6.407 1.00 0.00 C ATOM 479 C ARG A 29 3.513 -21.408 -7.632 1.00 0.00 C ATOM 480 O ARG A 29 3.471 -22.249 -8.522 1.00 0.00 O ATOM 481 CB ARG A 29 1.202 -22.173 -6.769 1.00 0.00 C ATOM 482 CG ARG A 29 0.169 -21.245 -7.439 1.00 0.00 C ATOM 483 CD ARG A 29 0.584 -20.597 -8.764 1.00 0.00 C ATOM 484 NE ARG A 29 1.325 -19.339 -8.544 1.00 0.00 N ATOM 485 CZ ARG A 29 1.537 -18.381 -9.421 1.00 0.00 C ATOM 486 NH1 ARG A 29 1.112 -18.459 -10.649 1.00 0.00 N ATOM 487 NH2 ARG A 29 2.194 -17.314 -9.073 1.00 0.00 N ATOM 0 H ARG A 29 1.421 -20.252 -5.305 1.00 0.00 H new ATOM 0 HA ARG A 29 3.190 -22.296 -5.848 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.366 -23.023 -7.431 1.00 0.00 H new ATOM 0 HB3 ARG A 29 0.756 -22.563 -5.854 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.742 -21.818 -7.611 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.082 -20.451 -6.736 1.00 0.00 H new ATOM 0 HD2 ARG A 29 1.204 -21.291 -9.331 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.303 -20.397 -9.366 1.00 0.00 H new ATOM 0 HE ARG A 29 1.714 -19.197 -7.612 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.596 -19.283 -10.959 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.295 -17.697 -11.301 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.545 -17.219 -8.120 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.358 -16.572 -9.753 1.00 0.00 H new ATOM 501 N ALA A 30 4.279 -20.323 -7.753 1.00 0.00 N ATOM 502 CA ALA A 30 5.377 -20.213 -8.719 1.00 0.00 C ATOM 503 C ALA A 30 6.656 -20.921 -8.209 1.00 0.00 C ATOM 504 O ALA A 30 7.471 -21.366 -9.010 1.00 0.00 O ATOM 505 CB ALA A 30 5.652 -18.726 -8.980 1.00 0.00 C ATOM 0 H ALA A 30 4.155 -19.488 -7.180 1.00 0.00 H new ATOM 0 HA ALA A 30 5.086 -20.708 -9.646 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.467 -18.627 -9.697 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.755 -18.255 -9.383 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.930 -18.238 -8.046 1.00 0.00 H new ATOM 511 N GLU A 31 6.791 -21.075 -6.886 1.00 0.00 N ATOM 512 CA GLU A 31 7.885 -21.782 -6.212 1.00 0.00 C ATOM 513 C GLU A 31 7.322 -22.677 -5.096 1.00 0.00 C ATOM 514 O GLU A 31 6.178 -22.507 -4.683 1.00 0.00 O ATOM 515 CB GLU A 31 8.937 -20.780 -5.694 1.00 0.00 C ATOM 516 CG GLU A 31 8.428 -19.824 -4.597 1.00 0.00 C ATOM 517 CD GLU A 31 9.463 -18.766 -4.165 1.00 0.00 C ATOM 518 OE1 GLU A 31 10.568 -18.721 -4.754 1.00 0.00 O ATOM 519 OE2 GLU A 31 9.116 -17.993 -3.241 1.00 0.00 O ATOM 0 H GLU A 31 6.111 -20.693 -6.228 1.00 0.00 H new ATOM 0 HA GLU A 31 8.394 -22.432 -6.924 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.789 -21.337 -5.305 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.300 -20.188 -6.534 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.532 -19.317 -4.957 1.00 0.00 H new ATOM 0 HG3 GLU A 31 8.135 -20.409 -3.725 1.00 0.00 H new ATOM 526 N GLN A 32 8.093 -23.678 -4.651 1.00 0.00 N ATOM 527 CA GLN A 32 7.748 -24.740 -3.674 1.00 0.00 C ATOM 528 C GLN A 32 6.461 -25.587 -3.934 1.00 0.00 C ATOM 529 O GLN A 32 6.301 -26.654 -3.345 1.00 0.00 O ATOM 530 CB GLN A 32 7.933 -24.195 -2.230 1.00 0.00 C ATOM 531 CG GLN A 32 6.679 -23.750 -1.446 1.00 0.00 C ATOM 532 CD GLN A 32 5.895 -24.927 -0.870 1.00 0.00 C ATOM 533 OE1 GLN A 32 4.708 -25.083 -1.096 1.00 0.00 O ATOM 534 NE2 GLN A 32 6.521 -25.797 -0.104 1.00 0.00 N ATOM 0 H GLN A 32 9.051 -23.782 -4.986 1.00 0.00 H new ATOM 0 HA GLN A 32 8.470 -25.541 -3.833 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.433 -24.967 -1.645 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.612 -23.344 -2.281 1.00 0.00 H new ATOM 0 HG2 GLN A 32 6.979 -23.087 -0.635 1.00 0.00 H new ATOM 0 HG3 GLN A 32 6.029 -23.174 -2.105 1.00 0.00 H new ATOM 0 HE21 GLN A 32 7.515 -25.680 0.094 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.012 -26.588 0.291 1.00 0.00 H new ATOM 543 N ALA A 33 5.616 -25.188 -4.890 1.00 0.00 N ATOM 544 CA ALA A 33 4.257 -25.639 -5.232 1.00 0.00 C ATOM 545 C ALA A 33 3.899 -27.145 -5.235 1.00 0.00 C ATOM 546 O ALA A 33 2.715 -27.482 -5.203 1.00 0.00 O ATOM 547 CB ALA A 33 3.954 -25.061 -6.622 1.00 0.00 C ATOM 0 H ALA A 33 5.904 -24.445 -5.526 1.00 0.00 H new ATOM 0 HA ALA A 33 3.648 -25.282 -4.401 1.00 0.00 H new ATOM 0 HB1 ALA A 33 2.954 -25.363 -6.932 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.009 -23.973 -6.583 1.00 0.00 H new ATOM 0 HB3 ALA A 33 4.684 -25.436 -7.339 1.00 0.00 H new ATOM 553 N SER A 34 4.865 -28.065 -5.283 1.00 0.00 N ATOM 554 CA SER A 34 4.654 -29.523 -5.322 1.00 0.00 C ATOM 555 C SER A 34 4.243 -30.109 -3.955 1.00 0.00 C ATOM 556 O SER A 34 4.767 -31.142 -3.540 1.00 0.00 O ATOM 557 CB SER A 34 5.915 -30.199 -5.881 1.00 0.00 C ATOM 558 OG SER A 34 5.658 -31.561 -6.148 1.00 0.00 O ATOM 0 H SER A 34 5.853 -27.811 -5.296 1.00 0.00 H new ATOM 0 HA SER A 34 3.812 -29.727 -5.984 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.233 -29.695 -6.794 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.733 -30.109 -5.166 1.00 0.00 H new ATOM 0 HG SER A 34 5.337 -31.999 -5.332 1.00 0.00 H new ATOM 564 N GLN A 35 3.342 -29.430 -3.227 1.00 0.00 N ATOM 565 CA GLN A 35 2.912 -29.717 -1.853 1.00 0.00 C ATOM 566 C GLN A 35 4.097 -30.064 -0.915 1.00 0.00 C ATOM 567 O GLN A 35 4.027 -30.964 -0.077 1.00 0.00 O ATOM 568 CB GLN A 35 1.799 -30.773 -1.986 1.00 0.00 C ATOM 569 CG GLN A 35 1.064 -31.149 -0.686 1.00 0.00 C ATOM 570 CD GLN A 35 1.106 -32.636 -0.334 1.00 0.00 C ATOM 571 OE1 GLN A 35 0.092 -33.312 -0.197 1.00 0.00 O ATOM 572 NE2 GLN A 35 2.287 -33.157 -0.111 1.00 0.00 N ATOM 0 H GLN A 35 2.865 -28.613 -3.609 1.00 0.00 H new ATOM 0 HA GLN A 35 2.503 -28.845 -1.343 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.063 -30.408 -2.703 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.234 -31.679 -2.409 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.499 -30.582 0.138 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.022 -30.839 -0.771 1.00 0.00 H new ATOM 0 HE21 GLN A 35 3.126 -32.588 -0.227 1.00 0.00 H new ATOM 0 HE22 GLN A 35 2.368 -34.132 0.179 1.00 0.00 H new ATOM 581 N GLU A 36 5.229 -29.379 -1.095 1.00 0.00 N ATOM 582 CA GLU A 36 6.488 -29.730 -0.443 1.00 0.00 C ATOM 583 C GLU A 36 6.519 -29.350 1.054 1.00 0.00 C ATOM 584 O GLU A 36 6.377 -28.186 1.418 1.00 0.00 O ATOM 585 CB GLU A 36 7.662 -29.125 -1.237 1.00 0.00 C ATOM 586 CG GLU A 36 8.944 -29.261 -0.420 1.00 0.00 C ATOM 587 CD GLU A 36 10.235 -29.335 -1.230 1.00 0.00 C ATOM 588 OE1 GLU A 36 10.613 -30.469 -1.591 1.00 0.00 O ATOM 589 OE2 GLU A 36 11.053 -28.394 -1.152 1.00 0.00 O ATOM 0 H GLU A 36 5.296 -28.561 -1.701 1.00 0.00 H new ATOM 0 HA GLU A 36 6.587 -30.815 -0.452 1.00 0.00 H new ATOM 0 HB2 GLU A 36 7.771 -29.635 -2.194 1.00 0.00 H new ATOM 0 HB3 GLU A 36 7.466 -28.075 -1.456 1.00 0.00 H new ATOM 0 HG2 GLU A 36 9.011 -28.413 0.261 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.869 -30.158 0.194 1.00 0.00 H new ATOM 596 N VAL A 37 6.810 -30.341 1.909 1.00 0.00 N ATOM 597 CA VAL A 37 7.003 -30.247 3.373 1.00 0.00 C ATOM 598 C VAL A 37 8.008 -29.170 3.819 1.00 0.00 C ATOM 599 O VAL A 37 7.811 -28.569 4.866 1.00 0.00 O ATOM 600 CB VAL A 37 7.424 -31.637 3.906 1.00 0.00 C ATOM 601 CG1 VAL A 37 7.818 -31.674 5.390 1.00 0.00 C ATOM 602 CG2 VAL A 37 6.299 -32.663 3.706 1.00 0.00 C ATOM 0 H VAL A 37 6.926 -31.299 1.578 1.00 0.00 H new ATOM 0 HA VAL A 37 6.050 -29.933 3.799 1.00 0.00 H new ATOM 0 HB VAL A 37 8.312 -31.882 3.323 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.097 -32.691 5.667 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.664 -31.007 5.559 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.974 -31.350 5.999 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.618 -33.632 4.088 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.409 -32.336 4.244 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.070 -32.750 2.644 1.00 0.00 H new ATOM 612 N LYS A 38 9.055 -28.858 3.036 1.00 0.00 N ATOM 613 CA LYS A 38 10.004 -27.736 3.284 1.00 0.00 C ATOM 614 C LYS A 38 9.379 -26.326 3.102 1.00 0.00 C ATOM 615 O LYS A 38 10.070 -25.353 2.817 1.00 0.00 O ATOM 616 CB LYS A 38 11.264 -27.910 2.408 1.00 0.00 C ATOM 617 CG LYS A 38 12.309 -28.909 2.930 1.00 0.00 C ATOM 618 CD LYS A 38 12.062 -30.405 2.680 1.00 0.00 C ATOM 619 CE LYS A 38 11.776 -30.812 1.227 1.00 0.00 C ATOM 620 NZ LYS A 38 12.636 -30.154 0.209 1.00 0.00 N ATOM 0 H LYS A 38 9.278 -29.385 2.192 1.00 0.00 H new ATOM 0 HA LYS A 38 10.280 -27.788 4.337 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.951 -28.227 1.413 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.743 -26.937 2.296 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.270 -28.650 2.486 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.405 -28.761 4.006 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.935 -30.959 3.025 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.220 -30.721 3.296 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.895 -31.892 1.138 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.734 -30.586 1.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.621 -30.710 -0.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.278 -29.196 0.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.612 -30.095 0.565 1.00 0.00 H new ATOM 634 N ASN A 39 8.057 -26.212 3.223 1.00 0.00 N ATOM 635 CA ASN A 39 7.250 -25.014 2.983 1.00 0.00 C ATOM 636 C ASN A 39 7.803 -23.772 3.726 1.00 0.00 C ATOM 637 O ASN A 39 8.008 -22.742 3.086 1.00 0.00 O ATOM 638 CB ASN A 39 5.764 -25.406 3.173 1.00 0.00 C ATOM 639 CG ASN A 39 5.186 -25.007 4.496 1.00 0.00 C ATOM 640 OD1 ASN A 39 5.786 -25.182 5.536 1.00 0.00 O ATOM 641 ND2 ASN A 39 4.004 -24.451 4.475 1.00 0.00 N ATOM 0 H ASN A 39 7.483 -27.005 3.510 1.00 0.00 H new ATOM 0 HA ASN A 39 7.319 -24.653 1.957 1.00 0.00 H new ATOM 0 HB2 ASN A 39 5.175 -24.947 2.379 1.00 0.00 H new ATOM 0 HB3 ASN A 39 5.668 -26.486 3.058 1.00 0.00 H new ATOM 0 HD21 ASN A 39 3.565 -24.153 5.346 1.00 0.00 H new ATOM 0 HD22 ASN A 39 3.520 -24.315 3.587 1.00 0.00 H new ATOM 648 N ALA A 40 8.188 -23.913 4.997 1.00 0.00 N ATOM 649 CA ALA A 40 8.803 -22.874 5.827 1.00 0.00 C ATOM 650 C ALA A 40 10.176 -22.337 5.345 1.00 0.00 C ATOM 651 O ALA A 40 10.787 -21.525 6.035 1.00 0.00 O ATOM 652 CB ALA A 40 8.874 -23.419 7.260 1.00 0.00 C ATOM 0 H ALA A 40 8.074 -24.794 5.498 1.00 0.00 H new ATOM 0 HA ALA A 40 8.172 -21.988 5.757 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.328 -22.672 7.911 1.00 0.00 H new ATOM 0 HB2 ALA A 40 7.868 -23.646 7.613 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.477 -24.327 7.274 1.00 0.00 H new ATOM 658 N MET A 41 10.721 -22.804 4.208 1.00 0.00 N ATOM 659 CA MET A 41 11.871 -22.141 3.560 1.00 0.00 C ATOM 660 C MET A 41 11.454 -20.779 2.970 1.00 0.00 C ATOM 661 O MET A 41 12.264 -19.856 2.894 1.00 0.00 O ATOM 662 CB MET A 41 12.494 -23.041 2.483 1.00 0.00 C ATOM 663 CG MET A 41 13.224 -24.236 3.113 1.00 0.00 C ATOM 664 SD MET A 41 14.104 -25.328 1.954 1.00 0.00 S ATOM 665 CE MET A 41 15.420 -24.220 1.377 1.00 0.00 C ATOM 0 H MET A 41 10.387 -23.634 3.719 1.00 0.00 H new ATOM 0 HA MET A 41 12.630 -21.962 4.322 1.00 0.00 H new ATOM 0 HB2 MET A 41 11.715 -23.401 1.811 1.00 0.00 H new ATOM 0 HB3 MET A 41 13.193 -22.461 1.880 1.00 0.00 H new ATOM 0 HG2 MET A 41 13.941 -23.857 3.841 1.00 0.00 H new ATOM 0 HG3 MET A 41 12.497 -24.833 3.663 1.00 0.00 H new ATOM 0 HE1 MET A 41 16.157 -24.793 0.814 1.00 0.00 H new ATOM 0 HE2 MET A 41 14.992 -23.450 0.735 1.00 0.00 H new ATOM 0 HE3 MET A 41 15.903 -23.751 2.234 1.00 0.00 H new ATOM 675 N THR A 42 10.192 -20.667 2.554 1.00 0.00 N ATOM 676 CA THR A 42 9.483 -19.417 2.251 1.00 0.00 C ATOM 677 C THR A 42 8.702 -18.997 3.510 1.00 0.00 C ATOM 678 O THR A 42 8.833 -19.622 4.557 1.00 0.00 O ATOM 679 CB THR A 42 8.547 -19.588 1.027 1.00 0.00 C ATOM 680 OG1 THR A 42 8.465 -20.912 0.538 1.00 0.00 O ATOM 681 CG2 THR A 42 9.106 -18.799 -0.141 1.00 0.00 C ATOM 0 H THR A 42 9.603 -21.488 2.411 1.00 0.00 H new ATOM 0 HA THR A 42 10.195 -18.636 1.985 1.00 0.00 H new ATOM 0 HB THR A 42 7.568 -19.261 1.377 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.857 -20.940 -0.230 1.00 0.00 H new ATOM 0 HG21 THR A 42 8.452 -18.915 -1.005 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.167 -17.745 0.128 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.101 -19.169 -0.387 1.00 0.00 H new ATOM 689 N GLU A 43 7.878 -17.941 3.473 1.00 0.00 N ATOM 690 CA GLU A 43 6.987 -17.641 4.622 1.00 0.00 C ATOM 691 C GLU A 43 6.021 -18.797 4.968 1.00 0.00 C ATOM 692 O GLU A 43 5.572 -18.902 6.104 1.00 0.00 O ATOM 693 CB GLU A 43 6.226 -16.324 4.365 1.00 0.00 C ATOM 694 CG GLU A 43 4.989 -16.442 3.472 1.00 0.00 C ATOM 695 CD GLU A 43 3.731 -16.795 4.282 1.00 0.00 C ATOM 696 OE1 GLU A 43 3.375 -15.989 5.176 1.00 0.00 O ATOM 697 OE2 GLU A 43 3.108 -17.836 3.975 1.00 0.00 O ATOM 0 H GLU A 43 7.803 -17.293 2.689 1.00 0.00 H new ATOM 0 HA GLU A 43 7.622 -17.523 5.500 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.921 -15.907 5.325 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.913 -15.610 3.911 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.830 -15.501 2.945 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.160 -17.207 2.714 1.00 0.00 H new ATOM 704 N THR A 44 5.748 -19.641 3.965 1.00 0.00 N ATOM 705 CA THR A 44 4.730 -20.694 3.855 1.00 0.00 C ATOM 706 C THR A 44 4.392 -21.379 5.175 1.00 0.00 C ATOM 707 O THR A 44 5.200 -22.102 5.749 1.00 0.00 O ATOM 708 CB THR A 44 5.136 -21.740 2.799 1.00 0.00 C ATOM 709 OG1 THR A 44 5.954 -21.191 1.803 1.00 0.00 O ATOM 710 CG2 THR A 44 4.011 -22.384 1.997 1.00 0.00 C ATOM 0 H THR A 44 6.302 -19.596 3.109 1.00 0.00 H new ATOM 0 HA THR A 44 3.820 -20.185 3.539 1.00 0.00 H new ATOM 0 HB THR A 44 5.616 -22.485 3.433 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.868 -21.530 1.907 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.431 -23.100 1.290 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.330 -22.900 2.674 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.466 -21.614 1.452 1.00 0.00 H new ATOM 718 N LEU A 45 3.130 -21.252 5.588 1.00 0.00 N ATOM 719 CA LEU A 45 2.687 -21.602 6.943 1.00 0.00 C ATOM 720 C LEU A 45 1.664 -22.761 7.024 1.00 0.00 C ATOM 721 O LEU A 45 1.155 -23.071 8.099 1.00 0.00 O ATOM 722 CB LEU A 45 2.276 -20.310 7.708 1.00 0.00 C ATOM 723 CG LEU A 45 2.331 -18.938 6.974 1.00 0.00 C ATOM 724 CD1 LEU A 45 1.105 -18.705 6.088 1.00 0.00 C ATOM 725 CD2 LEU A 45 2.419 -17.768 7.949 1.00 0.00 C ATOM 0 H LEU A 45 2.381 -20.902 4.991 1.00 0.00 H new ATOM 0 HA LEU A 45 3.540 -22.040 7.462 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.255 -20.451 8.063 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.912 -20.235 8.590 1.00 0.00 H new ATOM 0 HG LEU A 45 3.230 -18.982 6.360 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.190 -17.735 5.597 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.047 -19.490 5.334 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.204 -18.724 6.701 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.455 -16.832 7.392 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.544 -17.770 8.599 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.321 -17.865 8.554 1.00 0.00 H new ATOM 737 N LEU A 46 1.340 -23.397 5.888 1.00 0.00 N ATOM 738 CA LEU A 46 0.260 -24.385 5.705 1.00 0.00 C ATOM 739 C LEU A 46 0.339 -25.124 4.338 1.00 0.00 C ATOM 740 O LEU A 46 1.340 -25.005 3.634 1.00 0.00 O ATOM 741 CB LEU A 46 -1.118 -23.737 6.014 1.00 0.00 C ATOM 742 CG LEU A 46 -1.487 -22.286 5.599 1.00 0.00 C ATOM 743 CD1 LEU A 46 -1.682 -21.391 6.822 1.00 0.00 C ATOM 744 CD2 LEU A 46 -0.597 -21.531 4.610 1.00 0.00 C ATOM 0 H LEU A 46 1.852 -23.228 5.022 1.00 0.00 H new ATOM 0 HA LEU A 46 0.396 -25.186 6.432 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.871 -24.386 5.568 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.249 -23.792 7.095 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.403 -22.479 5.041 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.939 -20.383 6.498 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.486 -21.790 7.440 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.760 -21.361 7.402 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.007 -20.536 4.438 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.409 -21.443 5.020 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.558 -22.076 3.667 1.00 0.00 H new ATOM 756 N VAL A 47 -0.678 -25.930 3.972 1.00 0.00 N ATOM 757 CA VAL A 47 -0.787 -26.734 2.732 1.00 0.00 C ATOM 758 C VAL A 47 -2.231 -26.759 2.205 1.00 0.00 C ATOM 759 O VAL A 47 -3.143 -27.116 2.951 1.00 0.00 O ATOM 760 CB VAL A 47 -0.421 -28.218 2.982 1.00 0.00 C ATOM 761 CG1 VAL A 47 0.007 -28.868 1.674 1.00 0.00 C ATOM 762 CG2 VAL A 47 0.690 -28.458 3.996 1.00 0.00 C ATOM 0 H VAL A 47 -1.497 -26.046 4.569 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.105 -26.266 2.022 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.328 -28.656 3.398 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.264 -29.912 1.853 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.811 -28.814 0.956 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.875 -28.344 1.275 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.867 -29.529 4.095 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.604 -27.969 3.657 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.396 -28.048 4.962 1.00 0.00 H new ATOM 772 N GLN A 48 -2.458 -26.453 0.922 1.00 0.00 N ATOM 773 CA GLN A 48 -3.784 -26.601 0.293 1.00 0.00 C ATOM 774 C GLN A 48 -4.342 -28.024 0.414 1.00 0.00 C ATOM 775 O GLN A 48 -5.504 -28.209 0.761 1.00 0.00 O ATOM 776 CB GLN A 48 -3.747 -26.202 -1.186 1.00 0.00 C ATOM 777 CG GLN A 48 -3.714 -24.685 -1.320 1.00 0.00 C ATOM 778 CD GLN A 48 -3.813 -24.248 -2.780 1.00 0.00 C ATOM 779 OE1 GLN A 48 -2.883 -24.399 -3.559 1.00 0.00 O ATOM 780 NE2 GLN A 48 -4.935 -23.707 -3.193 1.00 0.00 N ATOM 0 H GLN A 48 -1.738 -26.099 0.292 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.447 -25.929 0.838 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -2.870 -26.636 -1.666 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.621 -26.601 -1.700 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -4.537 -24.251 -0.753 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.791 -24.301 -0.886 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -5.710 -23.581 -2.542 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -5.032 -23.412 -4.165 1.00 0.00 H new ATOM 789 N ASN A 49 -3.485 -29.032 0.200 1.00 0.00 N ATOM 790 CA ASN A 49 -3.814 -30.462 0.294 1.00 0.00 C ATOM 791 C ASN A 49 -3.980 -31.002 1.739 1.00 0.00 C ATOM 792 O ASN A 49 -3.685 -32.171 2.015 1.00 0.00 O ATOM 793 CB ASN A 49 -2.784 -31.268 -0.522 1.00 0.00 C ATOM 794 CG ASN A 49 -3.370 -32.597 -0.967 1.00 0.00 C ATOM 795 OD1 ASN A 49 -4.462 -32.657 -1.505 1.00 0.00 O ATOM 796 ND2 ASN A 49 -2.677 -33.695 -0.797 1.00 0.00 N ATOM 0 H ASN A 49 -2.510 -28.869 -0.052 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.808 -30.591 -0.134 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -2.473 -30.692 -1.394 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -1.892 -31.442 0.080 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.052 -34.589 -1.114 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -1.762 -33.656 -0.348 1.00 0.00 H new ATOM 803 N ALA A 50 -4.379 -30.131 2.675 1.00 0.00 N ATOM 804 CA ALA A 50 -4.825 -30.517 4.012 1.00 0.00 C ATOM 805 C ALA A 50 -6.008 -31.515 3.990 1.00 0.00 C ATOM 806 O ALA A 50 -6.651 -31.743 2.965 1.00 0.00 O ATOM 807 CB ALA A 50 -5.170 -29.238 4.790 1.00 0.00 C ATOM 0 H ALA A 50 -4.400 -29.123 2.518 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.017 -31.051 4.512 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.506 -29.502 5.793 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.286 -28.604 4.858 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.963 -28.700 4.271 1.00 0.00 H new ATOM 813 N ASN A 51 -6.367 -32.052 5.164 1.00 0.00 N ATOM 814 CA ASN A 51 -7.297 -33.176 5.333 1.00 0.00 C ATOM 815 C ASN A 51 -8.315 -32.890 6.461 1.00 0.00 C ATOM 816 O ASN A 51 -8.052 -32.033 7.314 1.00 0.00 O ATOM 817 CB ASN A 51 -6.468 -34.455 5.577 1.00 0.00 C ATOM 818 CG ASN A 51 -5.918 -34.609 6.982 1.00 0.00 C ATOM 819 OD1 ASN A 51 -5.636 -33.647 7.672 1.00 0.00 O ATOM 820 ND2 ASN A 51 -5.813 -35.820 7.475 1.00 0.00 N ATOM 0 H ASN A 51 -6.006 -31.704 6.052 1.00 0.00 H new ATOM 0 HA ASN A 51 -7.894 -33.318 4.432 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -7.090 -35.321 5.351 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.635 -34.469 4.874 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.496 -35.954 8.435 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -6.049 -36.628 6.898 1.00 0.00 H new ATOM 827 N PRO A 52 -9.505 -33.533 6.485 1.00 0.00 N ATOM 828 CA PRO A 52 -10.595 -33.131 7.380 1.00 0.00 C ATOM 829 C PRO A 52 -10.239 -33.212 8.869 1.00 0.00 C ATOM 830 O PRO A 52 -10.546 -32.272 9.604 1.00 0.00 O ATOM 831 CB PRO A 52 -11.802 -34.002 7.006 1.00 0.00 C ATOM 832 CG PRO A 52 -11.192 -35.198 6.278 1.00 0.00 C ATOM 833 CD PRO A 52 -9.944 -34.616 5.617 1.00 0.00 C ATOM 0 HA PRO A 52 -10.818 -32.073 7.241 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.356 -34.315 7.891 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -12.500 -33.461 6.367 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -10.942 -36.003 6.969 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.880 -35.613 5.541 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.167 -35.373 5.513 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.167 -34.249 4.615 1.00 0.00 H new ATOM 841 N ASP A 53 -9.553 -34.288 9.244 1.00 0.00 N ATOM 842 CA ASP A 53 -8.953 -34.544 10.548 1.00 0.00 C ATOM 843 C ASP A 53 -8.025 -33.399 10.995 1.00 0.00 C ATOM 844 O ASP A 53 -8.438 -32.592 11.833 1.00 0.00 O ATOM 845 CB ASP A 53 -8.260 -35.907 10.417 1.00 0.00 C ATOM 846 CG ASP A 53 -7.447 -36.287 11.644 1.00 0.00 C ATOM 847 OD1 ASP A 53 -8.068 -36.760 12.618 1.00 0.00 O ATOM 848 OD2 ASP A 53 -6.217 -36.095 11.556 1.00 0.00 O ATOM 0 H ASP A 53 -9.391 -35.059 8.597 1.00 0.00 H new ATOM 0 HA ASP A 53 -9.696 -34.580 11.345 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.013 -36.674 10.236 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.605 -35.892 9.546 1.00 0.00 H new ATOM 853 N CYS A 54 -6.836 -33.217 10.396 1.00 0.00 N ATOM 854 CA CYS A 54 -5.894 -32.214 10.913 1.00 0.00 C ATOM 855 C CYS A 54 -6.494 -30.800 10.933 1.00 0.00 C ATOM 856 O CYS A 54 -6.278 -30.045 11.873 1.00 0.00 O ATOM 857 CB CYS A 54 -4.559 -32.197 10.165 1.00 0.00 C ATOM 858 SG CYS A 54 -3.256 -31.831 11.378 1.00 0.00 S ATOM 0 H CYS A 54 -6.512 -33.734 9.579 1.00 0.00 H new ATOM 0 HA CYS A 54 -5.697 -32.523 11.939 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -4.376 -33.158 9.685 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -4.571 -31.444 9.377 1.00 0.00 H new ATOM 0 HG CYS A 54 -2.204 -31.379 10.762 1.00 0.00 H new ATOM 864 N LYS A 55 -7.332 -30.428 9.955 1.00 0.00 N ATOM 865 CA LYS A 55 -8.083 -29.160 9.992 1.00 0.00 C ATOM 866 C LYS A 55 -8.869 -28.929 11.287 1.00 0.00 C ATOM 867 O LYS A 55 -8.822 -27.816 11.804 1.00 0.00 O ATOM 868 CB LYS A 55 -9.074 -29.157 8.843 1.00 0.00 C ATOM 869 CG LYS A 55 -8.442 -28.821 7.487 1.00 0.00 C ATOM 870 CD LYS A 55 -9.300 -29.278 6.297 1.00 0.00 C ATOM 871 CE LYS A 55 -10.770 -28.811 6.311 1.00 0.00 C ATOM 872 NZ LYS A 55 -11.652 -29.628 7.194 1.00 0.00 N ATOM 0 H LYS A 55 -7.509 -30.990 9.122 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.343 -28.363 9.921 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.548 -30.137 8.781 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.862 -28.435 9.056 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.284 -27.744 7.422 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.461 -29.291 7.423 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.834 -28.921 5.379 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.285 -30.367 6.259 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.808 -27.771 6.636 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.161 -28.841 5.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.293 -30.202 6.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.068 -30.254 7.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.211 -28.998 7.805 1.00 0.00 H new ATOM 886 N THR A 56 -9.613 -29.933 11.768 1.00 0.00 N ATOM 887 CA THR A 56 -10.313 -29.871 13.061 1.00 0.00 C ATOM 888 C THR A 56 -9.338 -29.751 14.241 1.00 0.00 C ATOM 889 O THR A 56 -9.698 -29.208 15.283 1.00 0.00 O ATOM 890 CB THR A 56 -11.303 -31.050 13.217 1.00 0.00 C ATOM 891 OG1 THR A 56 -12.548 -30.551 13.651 1.00 0.00 O ATOM 892 CG2 THR A 56 -10.916 -32.168 14.187 1.00 0.00 C ATOM 0 H THR A 56 -9.748 -30.814 11.272 1.00 0.00 H new ATOM 0 HA THR A 56 -10.906 -28.957 13.073 1.00 0.00 H new ATOM 0 HB THR A 56 -11.314 -31.504 12.226 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.181 -31.293 13.750 1.00 0.00 H new ATOM 0 HG21 THR A 56 -11.698 -32.927 14.198 1.00 0.00 H new ATOM 0 HG22 THR A 56 -9.977 -32.619 13.866 1.00 0.00 H new ATOM 0 HG23 THR A 56 -10.797 -31.755 15.189 1.00 0.00 H new ATOM 900 N ILE A 57 -8.089 -30.184 14.046 1.00 0.00 N ATOM 901 CA ILE A 57 -7.027 -30.162 15.071 1.00 0.00 C ATOM 902 C ILE A 57 -6.285 -28.815 15.134 1.00 0.00 C ATOM 903 O ILE A 57 -6.394 -28.148 16.164 1.00 0.00 O ATOM 904 CB ILE A 57 -6.091 -31.373 14.879 1.00 0.00 C ATOM 905 CG1 ILE A 57 -6.828 -32.674 15.274 1.00 0.00 C ATOM 906 CG2 ILE A 57 -4.784 -31.253 15.676 1.00 0.00 C ATOM 907 CD1 ILE A 57 -6.344 -33.872 14.457 1.00 0.00 C ATOM 0 H ILE A 57 -7.776 -30.569 13.155 1.00 0.00 H new ATOM 0 HA ILE A 57 -7.493 -30.257 16.052 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.819 -31.399 13.824 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -6.673 -32.871 16.335 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.900 -32.543 15.127 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -4.168 -32.135 15.500 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.243 -30.363 15.356 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -5.012 -31.176 16.739 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -6.887 -34.766 14.765 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -6.523 -33.686 13.398 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -5.277 -34.019 14.625 1.00 0.00 H new ATOM 919 N LEU A 58 -5.606 -28.326 14.074 1.00 0.00 N ATOM 920 CA LEU A 58 -4.945 -27.003 14.136 1.00 0.00 C ATOM 921 C LEU A 58 -5.929 -25.873 14.415 1.00 0.00 C ATOM 922 O LEU A 58 -5.541 -24.850 14.973 1.00 0.00 O ATOM 923 CB LEU A 58 -4.158 -26.617 12.883 1.00 0.00 C ATOM 924 CG LEU A 58 -3.014 -27.585 12.570 1.00 0.00 C ATOM 925 CD1 LEU A 58 -3.393 -28.390 11.336 1.00 0.00 C ATOM 926 CD2 LEU A 58 -1.693 -26.862 12.330 1.00 0.00 C ATOM 0 H LEU A 58 -5.502 -28.814 13.184 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.243 -27.125 14.961 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.838 -26.580 12.032 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.752 -25.614 13.011 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.867 -28.236 13.432 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.590 -29.087 11.095 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.310 -28.946 11.532 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.551 -27.714 10.495 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.913 -27.592 12.112 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.799 -26.181 11.485 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.421 -26.296 13.221 1.00 0.00 H new ATOM 938 N LYS A 59 -7.214 -26.090 14.117 1.00 0.00 N ATOM 939 CA LYS A 59 -8.299 -25.213 14.601 1.00 0.00 C ATOM 940 C LYS A 59 -8.227 -24.867 16.102 1.00 0.00 C ATOM 941 O LYS A 59 -8.798 -23.847 16.492 1.00 0.00 O ATOM 942 CB LYS A 59 -9.659 -25.833 14.299 1.00 0.00 C ATOM 943 CG LYS A 59 -10.227 -25.368 12.953 1.00 0.00 C ATOM 944 CD LYS A 59 -11.193 -24.169 13.041 1.00 0.00 C ATOM 945 CE LYS A 59 -10.549 -22.843 13.484 1.00 0.00 C ATOM 946 NZ LYS A 59 -10.673 -22.576 14.942 1.00 0.00 N ATOM 0 H LYS A 59 -7.535 -26.868 13.540 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.166 -24.276 14.061 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.568 -26.919 14.296 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.358 -25.574 15.094 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.398 -25.102 12.297 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.748 -26.204 12.486 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.655 -24.022 12.065 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.993 -24.417 13.738 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.493 -22.854 13.214 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.010 -22.023 12.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.605 -21.553 15.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.592 -22.924 15.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.908 -23.064 15.451 1.00 0.00 H new ATOM 960 N ALA A 60 -7.575 -25.706 16.901 1.00 0.00 N ATOM 961 CA ALA A 60 -7.201 -25.490 18.299 1.00 0.00 C ATOM 962 C ALA A 60 -5.701 -25.770 18.600 1.00 0.00 C ATOM 963 O ALA A 60 -5.302 -25.743 19.762 1.00 0.00 O ATOM 964 CB ALA A 60 -8.134 -26.346 19.168 1.00 0.00 C ATOM 0 H ALA A 60 -7.271 -26.621 16.567 1.00 0.00 H new ATOM 0 HA ALA A 60 -7.322 -24.432 18.533 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -7.881 -26.208 20.219 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -9.167 -26.042 19.001 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -8.017 -27.397 18.902 1.00 0.00 H new ATOM 970 N LEU A 61 -4.851 -26.006 17.589 1.00 0.00 N ATOM 971 CA LEU A 61 -3.437 -26.393 17.745 1.00 0.00 C ATOM 972 C LEU A 61 -2.444 -25.503 16.962 1.00 0.00 C ATOM 973 O LEU A 61 -1.606 -25.990 16.205 1.00 0.00 O ATOM 974 CB LEU A 61 -3.254 -27.910 17.481 1.00 0.00 C ATOM 975 CG LEU A 61 -2.296 -28.548 18.511 1.00 0.00 C ATOM 976 CD1 LEU A 61 -3.016 -28.833 19.831 1.00 0.00 C ATOM 977 CD2 LEU A 61 -1.704 -29.865 18.022 1.00 0.00 C ATOM 0 H LEU A 61 -5.135 -25.931 16.612 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.172 -26.206 18.786 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.222 -28.408 17.525 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.863 -28.062 16.475 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.496 -27.822 18.654 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.317 -29.282 20.537 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.401 -27.901 20.244 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.844 -29.520 19.653 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.038 -30.270 18.784 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.508 -30.575 17.828 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.142 -29.693 17.104 1.00 0.00 H new ATOM 989 N GLY A 62 -2.467 -24.194 17.228 1.00 0.00 N ATOM 990 CA GLY A 62 -1.455 -23.235 16.743 1.00 0.00 C ATOM 991 C GLY A 62 -0.490 -22.684 17.808 1.00 0.00 C ATOM 992 O GLY A 62 -0.297 -21.469 17.845 1.00 0.00 O ATOM 0 H GLY A 62 -3.196 -23.759 17.793 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.867 -23.719 15.963 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.971 -22.395 16.278 1.00 0.00 H new ATOM 996 N PRO A 63 0.162 -23.504 18.666 1.00 0.00 N ATOM 997 CA PRO A 63 1.105 -23.040 19.693 1.00 0.00 C ATOM 998 C PRO A 63 2.485 -22.653 19.105 1.00 0.00 C ATOM 999 O PRO A 63 3.519 -23.008 19.661 1.00 0.00 O ATOM 1000 CB PRO A 63 1.183 -24.212 20.683 1.00 0.00 C ATOM 1001 CG PRO A 63 1.147 -25.412 19.744 1.00 0.00 C ATOM 1002 CD PRO A 63 0.132 -24.965 18.693 1.00 0.00 C ATOM 0 HA PRO A 63 0.772 -22.120 20.174 1.00 0.00 H new ATOM 0 HB2 PRO A 63 2.096 -24.185 21.278 1.00 0.00 H new ATOM 0 HB3 PRO A 63 0.347 -24.214 21.382 1.00 0.00 H new ATOM 0 HG2 PRO A 63 2.124 -25.616 19.306 1.00 0.00 H new ATOM 0 HG3 PRO A 63 0.831 -26.321 20.256 1.00 0.00 H new ATOM 0 HD2 PRO A 63 0.384 -25.374 17.715 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -0.866 -25.326 18.942 1.00 0.00 H new ATOM 1010 N ALA A 64 2.509 -21.998 17.938 1.00 0.00 N ATOM 1011 CA ALA A 64 3.687 -21.424 17.261 1.00 0.00 C ATOM 1012 C ALA A 64 4.885 -22.355 16.927 1.00 0.00 C ATOM 1013 O ALA A 64 5.874 -21.867 16.391 1.00 0.00 O ATOM 1014 CB ALA A 64 4.115 -20.164 18.030 1.00 0.00 C ATOM 0 H ALA A 64 1.654 -21.843 17.404 1.00 0.00 H new ATOM 0 HA ALA A 64 3.347 -21.195 16.251 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.986 -19.721 17.547 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.297 -19.444 18.033 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.366 -20.432 19.056 1.00 0.00 H new ATOM 1020 N ALA A 65 4.794 -23.667 17.176 1.00 0.00 N ATOM 1021 CA ALA A 65 5.854 -24.642 16.865 1.00 0.00 C ATOM 1022 C ALA A 65 5.280 -25.992 16.411 1.00 0.00 C ATOM 1023 O ALA A 65 5.572 -26.450 15.316 1.00 0.00 O ATOM 1024 CB ALA A 65 6.755 -24.799 18.096 1.00 0.00 C ATOM 0 H ALA A 65 3.971 -24.090 17.605 1.00 0.00 H new ATOM 0 HA ALA A 65 6.444 -24.269 16.028 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.545 -25.519 17.880 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.200 -23.836 18.346 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.161 -25.154 18.938 1.00 0.00 H new ATOM 1030 N THR A 66 4.332 -26.583 17.150 1.00 0.00 N ATOM 1031 CA THR A 66 3.661 -27.842 16.743 1.00 0.00 C ATOM 1032 C THR A 66 3.011 -27.782 15.349 1.00 0.00 C ATOM 1033 O THR A 66 2.786 -28.801 14.713 1.00 0.00 O ATOM 1034 CB THR A 66 2.620 -28.266 17.791 1.00 0.00 C ATOM 1035 OG1 THR A 66 3.141 -28.080 19.088 1.00 0.00 O ATOM 1036 CG2 THR A 66 2.231 -29.736 17.691 1.00 0.00 C ATOM 0 H THR A 66 4.005 -26.212 18.042 1.00 0.00 H new ATOM 0 HA THR A 66 4.452 -28.589 16.681 1.00 0.00 H new ATOM 0 HB THR A 66 1.742 -27.649 17.600 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.472 -28.350 19.751 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.493 -29.970 18.459 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.806 -29.934 16.707 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.115 -30.357 17.836 1.00 0.00 H new ATOM 1044 N LEU A 67 2.763 -26.593 14.801 1.00 0.00 N ATOM 1045 CA LEU A 67 2.353 -26.418 13.407 1.00 0.00 C ATOM 1046 C LEU A 67 3.233 -27.206 12.417 1.00 0.00 C ATOM 1047 O LEU A 67 2.719 -27.905 11.554 1.00 0.00 O ATOM 1048 CB LEU A 67 2.390 -24.920 13.121 1.00 0.00 C ATOM 1049 CG LEU A 67 1.629 -24.402 11.880 1.00 0.00 C ATOM 1050 CD1 LEU A 67 2.309 -23.117 11.407 1.00 0.00 C ATOM 1051 CD2 LEU A 67 1.604 -25.381 10.724 1.00 0.00 C ATOM 0 H LEU A 67 2.842 -25.716 15.316 1.00 0.00 H new ATOM 0 HA LEU A 67 1.350 -26.820 13.266 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.995 -24.403 13.995 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.434 -24.624 13.020 1.00 0.00 H new ATOM 0 HG LEU A 67 0.594 -24.244 12.183 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.789 -22.732 10.530 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.277 -22.374 12.204 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.347 -23.328 11.149 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.052 -24.946 9.891 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.625 -25.598 10.409 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.117 -26.304 11.039 1.00 0.00 H new ATOM 1063 N GLU A 68 4.551 -27.110 12.533 1.00 0.00 N ATOM 1064 CA GLU A 68 5.525 -27.805 11.669 1.00 0.00 C ATOM 1065 C GLU A 68 5.184 -29.289 11.448 1.00 0.00 C ATOM 1066 O GLU A 68 5.180 -29.785 10.313 1.00 0.00 O ATOM 1067 CB GLU A 68 6.928 -27.683 12.300 1.00 0.00 C ATOM 1068 CG GLU A 68 7.336 -26.226 12.547 1.00 0.00 C ATOM 1069 CD GLU A 68 8.701 -26.101 13.245 1.00 0.00 C ATOM 1070 OE1 GLU A 68 9.705 -26.506 12.614 1.00 0.00 O ATOM 1071 OE2 GLU A 68 8.736 -25.580 14.387 1.00 0.00 O ATOM 0 H GLU A 68 4.995 -26.533 13.247 1.00 0.00 H new ATOM 0 HA GLU A 68 5.493 -27.328 10.690 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.947 -28.227 13.244 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.660 -28.156 11.645 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.370 -25.696 11.595 1.00 0.00 H new ATOM 0 HG3 GLU A 68 6.575 -25.738 13.156 1.00 0.00 H new ATOM 1078 N GLU A 69 4.805 -29.985 12.524 1.00 0.00 N ATOM 1079 CA GLU A 69 4.293 -31.356 12.385 1.00 0.00 C ATOM 1080 C GLU A 69 2.863 -31.410 11.858 1.00 0.00 C ATOM 1081 O GLU A 69 2.530 -32.282 11.061 1.00 0.00 O ATOM 1082 CB GLU A 69 4.406 -32.155 13.681 1.00 0.00 C ATOM 1083 CG GLU A 69 3.486 -31.734 14.834 1.00 0.00 C ATOM 1084 CD GLU A 69 3.425 -32.813 15.926 1.00 0.00 C ATOM 1085 OE1 GLU A 69 4.392 -33.598 16.056 1.00 0.00 O ATOM 1086 OE2 GLU A 69 2.401 -32.835 16.643 1.00 0.00 O ATOM 0 H GLU A 69 4.840 -29.634 13.481 1.00 0.00 H new ATOM 0 HA GLU A 69 4.936 -31.823 11.639 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.208 -33.202 13.453 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.437 -32.094 14.029 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.844 -30.799 15.264 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.483 -31.545 14.451 1.00 0.00 H new ATOM 1093 N MET A 70 2.017 -30.463 12.251 1.00 0.00 N ATOM 1094 CA MET A 70 0.596 -30.441 11.895 1.00 0.00 C ATOM 1095 C MET A 70 0.308 -30.173 10.415 1.00 0.00 C ATOM 1096 O MET A 70 -0.642 -30.701 9.832 1.00 0.00 O ATOM 1097 CB MET A 70 -0.076 -29.414 12.748 1.00 0.00 C ATOM 1098 CG MET A 70 -0.126 -29.727 14.222 1.00 0.00 C ATOM 1099 SD MET A 70 -1.467 -30.860 14.661 1.00 0.00 S ATOM 1100 CE MET A 70 -0.538 -32.403 14.888 1.00 0.00 C ATOM 0 H MET A 70 2.300 -29.676 12.835 1.00 0.00 H new ATOM 0 HA MET A 70 0.204 -31.442 12.075 1.00 0.00 H new ATOM 0 HB2 MET A 70 0.438 -28.462 12.614 1.00 0.00 H new ATOM 0 HB3 MET A 70 -1.096 -29.279 12.388 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.825 -30.163 14.527 1.00 0.00 H new ATOM 0 HG3 MET A 70 -0.245 -28.799 14.781 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.190 -33.253 14.687 1.00 0.00 H new ATOM 0 HE2 MET A 70 0.307 -32.423 14.200 1.00 0.00 H new ATOM 0 HE3 MET A 70 -0.173 -32.460 15.913 1.00 0.00 H new ATOM 1110 N MET A 71 1.170 -29.376 9.795 1.00 0.00 N ATOM 1111 CA MET A 71 1.232 -29.149 8.351 1.00 0.00 C ATOM 1112 C MET A 71 1.523 -30.484 7.654 1.00 0.00 C ATOM 1113 O MET A 71 0.779 -30.922 6.783 1.00 0.00 O ATOM 1114 CB MET A 71 2.317 -28.092 8.054 1.00 0.00 C ATOM 1115 CG MET A 71 2.629 -27.972 6.549 1.00 0.00 C ATOM 1116 SD MET A 71 4.372 -27.822 6.114 1.00 0.00 S ATOM 1117 CE MET A 71 5.096 -29.351 6.756 1.00 0.00 C ATOM 0 H MET A 71 1.877 -28.846 10.305 1.00 0.00 H new ATOM 0 HA MET A 71 0.284 -28.769 7.972 1.00 0.00 H new ATOM 0 HB2 MET A 71 1.989 -27.124 8.432 1.00 0.00 H new ATOM 0 HB3 MET A 71 3.229 -28.352 8.591 1.00 0.00 H new ATOM 0 HG2 MET A 71 2.222 -28.848 6.043 1.00 0.00 H new ATOM 0 HG3 MET A 71 2.101 -27.103 6.157 1.00 0.00 H new ATOM 0 HE1 MET A 71 6.179 -29.318 6.640 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.848 -29.456 7.812 1.00 0.00 H new ATOM 0 HE3 MET A 71 4.698 -30.202 6.204 1.00 0.00 H new ATOM 1127 N THR A 72 2.589 -31.159 8.068 1.00 0.00 N ATOM 1128 CA THR A 72 2.909 -32.516 7.597 1.00 0.00 C ATOM 1129 C THR A 72 1.759 -33.500 7.835 1.00 0.00 C ATOM 1130 O THR A 72 1.421 -34.260 6.931 1.00 0.00 O ATOM 1131 CB THR A 72 4.162 -33.062 8.292 1.00 0.00 C ATOM 1132 OG1 THR A 72 5.217 -32.123 8.248 1.00 0.00 O ATOM 1133 CG2 THR A 72 4.691 -34.330 7.618 1.00 0.00 C ATOM 0 H THR A 72 3.261 -30.787 8.740 1.00 0.00 H new ATOM 0 HA THR A 72 3.083 -32.428 6.525 1.00 0.00 H new ATOM 0 HB THR A 72 3.857 -33.275 9.317 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.108 -31.474 8.974 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.579 -34.679 8.145 1.00 0.00 H new ATOM 0 HG22 THR A 72 3.924 -35.104 7.646 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.947 -34.111 6.581 1.00 0.00 H new ATOM 1141 N ALA A 73 1.135 -33.479 9.019 1.00 0.00 N ATOM 1142 CA ALA A 73 0.137 -34.464 9.422 1.00 0.00 C ATOM 1143 C ALA A 73 -1.138 -34.364 8.575 1.00 0.00 C ATOM 1144 O ALA A 73 -1.882 -35.334 8.439 1.00 0.00 O ATOM 1145 CB ALA A 73 -0.153 -34.288 10.918 1.00 0.00 C ATOM 0 H ALA A 73 1.314 -32.768 9.728 1.00 0.00 H new ATOM 0 HA ALA A 73 0.531 -35.466 9.250 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.898 -35.019 11.233 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.765 -34.438 11.487 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.532 -33.282 11.099 1.00 0.00 H new ATOM 1151 N CYS A 74 -1.364 -33.197 7.967 1.00 0.00 N ATOM 1152 CA CYS A 74 -2.503 -32.957 7.100 1.00 0.00 C ATOM 1153 C CYS A 74 -2.277 -33.289 5.613 1.00 0.00 C ATOM 1154 O CYS A 74 -3.267 -33.385 4.890 1.00 0.00 O ATOM 1155 CB CYS A 74 -2.999 -31.519 7.354 1.00 0.00 C ATOM 1156 SG CYS A 74 -2.182 -30.254 6.344 1.00 0.00 S ATOM 0 H CYS A 74 -0.751 -32.388 8.069 1.00 0.00 H new ATOM 0 HA CYS A 74 -3.288 -33.667 7.362 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -4.072 -31.479 7.166 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -2.851 -31.277 8.407 1.00 0.00 H new ATOM 0 HG CYS A 74 -0.893 -30.360 6.475 1.00 0.00 H new ATOM 1162 N GLN A 75 -1.035 -33.467 5.132 1.00 0.00 N ATOM 1163 CA GLN A 75 -0.754 -33.588 3.693 1.00 0.00 C ATOM 1164 C GLN A 75 -1.269 -34.920 3.125 1.00 0.00 C ATOM 1165 O GLN A 75 -0.726 -35.985 3.413 1.00 0.00 O ATOM 1166 CB GLN A 75 0.742 -33.316 3.396 1.00 0.00 C ATOM 1167 CG GLN A 75 1.770 -34.396 3.800 1.00 0.00 C ATOM 1168 CD GLN A 75 2.297 -35.246 2.631 1.00 0.00 C ATOM 1169 OE1 GLN A 75 3.229 -34.898 1.925 1.00 0.00 O ATOM 1170 NE2 GLN A 75 1.731 -36.391 2.340 1.00 0.00 N ATOM 0 H GLN A 75 -0.206 -33.530 5.723 1.00 0.00 H new ATOM 0 HA GLN A 75 -1.312 -32.815 3.164 1.00 0.00 H new ATOM 0 HB2 GLN A 75 0.844 -33.143 2.325 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.018 -32.388 3.897 1.00 0.00 H new ATOM 0 HG2 GLN A 75 2.615 -33.910 4.289 1.00 0.00 H new ATOM 0 HG3 GLN A 75 1.313 -35.057 4.536 1.00 0.00 H new ATOM 0 HE21 GLN A 75 0.947 -36.729 2.899 1.00 0.00 H new ATOM 0 HE22 GLN A 75 2.074 -36.944 1.555 1.00 0.00 H new