USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 442 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 35 MET CE :methyl -168:sc= -1.81 (180deg=-2.04) USER MOD Set 1.2: A 55 LYS NZ :NH3+ -150:sc= 1.08 (180deg=0.437) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 175:sc= 1.1 (180deg=0.89) USER MOD Single : A 19 TYR OH : rot 110:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0.931 K(o=0.93,f=-0.033) USER MOD Single : A 47 SER OG : rot 180:sc= 0.586 USER MOD Single : A 50 ASN : amide:sc= 0.12 K(o=0.12,f=-6.4!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00877) USER MOD Single : A 60 GLN : amide:sc= -0.0459 X(o=-0.046,f=-0.046) USER MOD Single : A 61 SER OG : rot 77:sc= 0.599 USER MOD Single : A 65 THR OG1 : rot 82:sc= 0.692 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 69 N PRO A 6 -31.216 3.848 -13.679 1.00 0.00 N ATOM 70 CA PRO A 6 -31.089 5.131 -14.374 1.00 0.00 C ATOM 71 C PRO A 6 -32.402 5.656 -14.956 1.00 0.00 C ATOM 72 O PRO A 6 -32.685 6.853 -14.842 1.00 0.00 O ATOM 73 CB PRO A 6 -30.058 4.897 -15.490 1.00 0.00 C ATOM 74 CG PRO A 6 -30.221 3.406 -15.787 1.00 0.00 C ATOM 75 CD PRO A 6 -30.480 2.815 -14.398 1.00 0.00 C ATOM 0 HA PRO A 6 -30.781 5.899 -13.665 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -30.264 5.510 -16.367 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -29.046 5.137 -15.164 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -31.050 3.217 -16.469 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -29.327 2.984 -16.247 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -31.057 1.892 -14.463 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -29.546 2.572 -13.892 1.00 0.00 H new ATOM 83 N VAL A 7 -33.232 4.766 -15.519 1.00 0.00 N ATOM 84 CA VAL A 7 -34.592 5.121 -15.949 1.00 0.00 C ATOM 85 C VAL A 7 -35.311 5.748 -14.770 1.00 0.00 C ATOM 86 O VAL A 7 -35.828 6.854 -14.832 1.00 0.00 O ATOM 87 CB VAL A 7 -35.415 3.917 -16.450 1.00 0.00 C ATOM 88 CG1 VAL A 7 -36.881 4.277 -16.722 1.00 0.00 C ATOM 89 CG2 VAL A 7 -34.653 3.147 -17.518 1.00 0.00 C ATOM 0 H VAL A 7 -32.984 3.791 -15.688 1.00 0.00 H new ATOM 0 HA VAL A 7 -34.499 5.808 -16.790 1.00 0.00 H new ATOM 0 HB VAL A 7 -35.529 3.184 -15.652 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -37.414 3.393 -17.072 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -37.343 4.639 -15.804 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -36.929 5.055 -17.484 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -35.254 2.302 -17.856 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -34.445 3.805 -18.362 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -33.714 2.781 -17.103 1.00 0.00 H new ATOM 99 N MET A 8 -35.321 4.998 -13.683 1.00 0.00 N ATOM 100 CA MET A 8 -35.984 5.306 -12.440 1.00 0.00 C ATOM 101 C MET A 8 -35.606 6.647 -11.795 1.00 0.00 C ATOM 102 O MET A 8 -36.514 7.382 -11.414 1.00 0.00 O ATOM 103 CB MET A 8 -35.760 4.095 -11.555 1.00 0.00 C ATOM 104 CG MET A 8 -36.725 4.010 -10.385 1.00 0.00 C ATOM 105 SD MET A 8 -38.496 4.197 -10.748 1.00 0.00 S ATOM 106 CE MET A 8 -39.165 4.083 -9.065 1.00 0.00 C ATOM 0 H MET A 8 -34.834 4.102 -13.648 1.00 0.00 H new ATOM 0 HA MET A 8 -37.046 5.478 -12.616 1.00 0.00 H new ATOM 0 HB2 MET A 8 -35.853 3.192 -12.158 1.00 0.00 H new ATOM 0 HB3 MET A 8 -34.740 4.119 -11.173 1.00 0.00 H new ATOM 0 HG2 MET A 8 -36.581 3.045 -9.898 1.00 0.00 H new ATOM 0 HG3 MET A 8 -36.446 4.777 -9.662 1.00 0.00 H new ATOM 0 HE1 MET A 8 -40.250 4.178 -9.098 1.00 0.00 H new ATOM 0 HE2 MET A 8 -38.898 3.119 -8.632 1.00 0.00 H new ATOM 0 HE3 MET A 8 -38.749 4.883 -8.453 1.00 0.00 H new ATOM 116 N ILE A 9 -34.319 6.983 -11.613 1.00 0.00 N ATOM 117 CA ILE A 9 -33.932 8.361 -11.248 1.00 0.00 C ATOM 118 C ILE A 9 -34.403 9.416 -12.253 1.00 0.00 C ATOM 119 O ILE A 9 -34.985 10.407 -11.830 1.00 0.00 O ATOM 120 CB ILE A 9 -32.449 8.564 -10.860 1.00 0.00 C ATOM 121 CG1 ILE A 9 -31.451 7.963 -11.861 1.00 0.00 C ATOM 122 CG2 ILE A 9 -32.181 8.014 -9.451 1.00 0.00 C ATOM 123 CD1 ILE A 9 -30.057 8.585 -11.767 1.00 0.00 C ATOM 0 H ILE A 9 -33.538 6.334 -11.710 1.00 0.00 H new ATOM 0 HA ILE A 9 -34.485 8.521 -10.322 1.00 0.00 H new ATOM 0 HB ILE A 9 -32.284 9.641 -10.878 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -31.375 6.889 -11.689 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -31.835 8.098 -12.872 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -31.132 8.165 -9.195 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -32.810 8.537 -8.731 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -32.410 6.949 -9.427 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -29.400 8.117 -12.500 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -30.121 9.654 -11.968 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -29.655 8.427 -10.766 1.00 0.00 H new ATOM 135 N LEU A 10 -34.143 9.261 -13.561 1.00 0.00 N ATOM 136 CA LEU A 10 -34.590 10.249 -14.562 1.00 0.00 C ATOM 137 C LEU A 10 -36.105 10.525 -14.540 1.00 0.00 C ATOM 138 O LEU A 10 -36.558 11.672 -14.507 1.00 0.00 O ATOM 139 CB LEU A 10 -33.924 9.940 -15.917 1.00 0.00 C ATOM 140 CG LEU A 10 -34.606 9.783 -17.285 1.00 0.00 C ATOM 141 CD1 LEU A 10 -35.482 8.548 -17.406 1.00 0.00 C ATOM 142 CD2 LEU A 10 -35.304 11.033 -17.776 1.00 0.00 C ATOM 0 H LEU A 10 -33.631 8.469 -13.950 1.00 0.00 H new ATOM 0 HA LEU A 10 -34.232 11.243 -14.293 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -33.182 10.726 -16.056 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -33.378 9.010 -15.761 1.00 0.00 H new ATOM 0 HG LEU A 10 -33.772 9.622 -17.968 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -35.925 8.513 -18.401 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -34.877 7.656 -17.246 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -36.273 8.588 -16.657 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -35.759 10.838 -18.747 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -36.077 11.321 -17.064 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -34.579 11.841 -17.871 1.00 0.00 H new ATOM 154 N ASN A 11 -36.864 9.439 -14.458 1.00 0.00 N ATOM 155 CA ASN A 11 -38.302 9.364 -14.227 1.00 0.00 C ATOM 156 C ASN A 11 -38.735 10.094 -12.948 1.00 0.00 C ATOM 157 O ASN A 11 -39.641 10.920 -12.961 1.00 0.00 O ATOM 158 CB ASN A 11 -38.613 7.867 -14.126 1.00 0.00 C ATOM 159 CG ASN A 11 -40.021 7.561 -13.642 1.00 0.00 C ATOM 160 OD1 ASN A 11 -41.011 7.892 -14.278 1.00 0.00 O ATOM 161 ND2 ASN A 11 -40.157 6.927 -12.498 1.00 0.00 N ATOM 0 H ASN A 11 -36.455 8.510 -14.560 1.00 0.00 H new ATOM 0 HA ASN A 11 -38.847 9.854 -15.034 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -38.468 7.409 -15.105 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -37.897 7.402 -13.448 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -41.088 6.712 -12.142 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -39.331 6.651 -11.967 1.00 0.00 H new ATOM 168 N GLU A 12 -38.126 9.759 -11.817 1.00 0.00 N ATOM 169 CA GLU A 12 -38.321 10.440 -10.540 1.00 0.00 C ATOM 170 C GLU A 12 -38.046 11.957 -10.613 1.00 0.00 C ATOM 171 O GLU A 12 -38.927 12.752 -10.279 1.00 0.00 O ATOM 172 CB GLU A 12 -37.482 9.690 -9.501 1.00 0.00 C ATOM 173 CG GLU A 12 -37.436 10.352 -8.120 1.00 0.00 C ATOM 174 CD GLU A 12 -36.756 9.416 -7.106 1.00 0.00 C ATOM 175 OE1 GLU A 12 -35.508 9.297 -7.112 1.00 0.00 O ATOM 176 OE2 GLU A 12 -37.464 8.700 -6.358 1.00 0.00 O ATOM 0 H GLU A 12 -37.464 8.985 -11.760 1.00 0.00 H new ATOM 0 HA GLU A 12 -39.369 10.407 -10.243 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -37.879 8.681 -9.393 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -36.464 9.593 -9.877 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -36.892 11.295 -8.178 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -38.447 10.588 -7.788 1.00 0.00 H new ATOM 183 N LEU A 13 -36.840 12.359 -11.036 1.00 0.00 N ATOM 184 CA LEU A 13 -36.397 13.752 -11.178 1.00 0.00 C ATOM 185 C LEU A 13 -37.298 14.629 -12.073 1.00 0.00 C ATOM 186 O LEU A 13 -37.578 15.772 -11.708 1.00 0.00 O ATOM 187 CB LEU A 13 -34.921 13.834 -11.620 1.00 0.00 C ATOM 188 CG LEU A 13 -33.835 13.310 -10.645 1.00 0.00 C ATOM 189 CD1 LEU A 13 -32.643 14.266 -10.661 1.00 0.00 C ATOM 190 CD2 LEU A 13 -34.231 13.168 -9.173 1.00 0.00 C ATOM 0 H LEU A 13 -36.115 11.692 -11.300 1.00 0.00 H new ATOM 0 HA LEU A 13 -36.489 14.177 -10.178 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -34.822 13.284 -12.556 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -34.696 14.878 -11.839 1.00 0.00 H new ATOM 0 HG LEU A 13 -33.629 12.306 -11.016 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -31.876 13.903 -9.977 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -32.234 14.320 -11.670 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -32.968 15.258 -10.348 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -33.381 12.793 -8.602 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -34.531 14.140 -8.781 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -35.063 12.470 -9.086 1.00 0.00 H new ATOM 202 N ARG A 14 -37.720 14.116 -13.246 1.00 0.00 N ATOM 203 CA ARG A 14 -38.392 14.864 -14.342 1.00 0.00 C ATOM 204 C ARG A 14 -37.897 16.318 -14.539 1.00 0.00 C ATOM 205 O ARG A 14 -38.672 17.258 -14.341 1.00 0.00 O ATOM 206 CB ARG A 14 -39.930 14.792 -14.193 1.00 0.00 C ATOM 207 CG ARG A 14 -40.540 13.480 -14.714 1.00 0.00 C ATOM 208 CD ARG A 14 -41.846 13.129 -13.981 1.00 0.00 C ATOM 209 NE ARG A 14 -41.586 12.891 -12.548 1.00 0.00 N ATOM 210 CZ ARG A 14 -42.239 13.354 -11.500 1.00 0.00 C ATOM 211 NH1 ARG A 14 -43.400 13.939 -11.596 1.00 0.00 N ATOM 212 NH2 ARG A 14 -41.716 13.244 -10.314 1.00 0.00 N ATOM 0 H ARG A 14 -37.600 13.128 -13.471 1.00 0.00 H new ATOM 0 HA ARG A 14 -38.102 14.356 -15.262 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -40.190 14.911 -13.141 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -40.378 15.629 -14.729 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -40.735 13.569 -15.783 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -39.822 12.669 -14.587 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -42.564 13.941 -14.096 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -42.294 12.241 -14.428 1.00 0.00 H new ATOM 0 HE ARG A 14 -40.792 12.285 -12.339 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -43.839 14.054 -12.509 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -43.869 14.282 -10.758 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -40.805 12.801 -10.198 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -42.217 13.601 -9.500 1.00 0.00 H new ATOM 226 N PRO A 15 -36.632 16.542 -14.952 1.00 0.00 N ATOM 227 CA PRO A 15 -36.153 17.852 -15.408 1.00 0.00 C ATOM 228 C PRO A 15 -36.849 18.339 -16.700 1.00 0.00 C ATOM 229 O PRO A 15 -36.308 18.241 -17.803 1.00 0.00 O ATOM 230 CB PRO A 15 -34.627 17.733 -15.506 1.00 0.00 C ATOM 231 CG PRO A 15 -34.354 16.236 -15.632 1.00 0.00 C ATOM 232 CD PRO A 15 -35.529 15.587 -14.908 1.00 0.00 C ATOM 0 HA PRO A 15 -36.415 18.639 -14.701 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -34.243 18.278 -16.368 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -34.141 18.150 -14.624 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -34.307 15.925 -16.676 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -33.403 15.963 -15.175 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -35.810 14.650 -15.389 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -35.264 15.349 -13.878 1.00 0.00 H new ATOM 240 N GLY A 16 -38.076 18.855 -16.560 1.00 0.00 N ATOM 241 CA GLY A 16 -38.859 19.536 -17.601 1.00 0.00 C ATOM 242 C GLY A 16 -39.192 18.702 -18.846 1.00 0.00 C ATOM 243 O GLY A 16 -39.311 19.270 -19.934 1.00 0.00 O ATOM 0 H GLY A 16 -38.576 18.807 -15.672 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -39.794 19.880 -17.158 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -38.311 20.423 -17.918 1.00 0.00 H new ATOM 247 N LEU A 17 -39.284 17.370 -18.723 1.00 0.00 N ATOM 248 CA LEU A 17 -39.068 16.469 -19.857 1.00 0.00 C ATOM 249 C LEU A 17 -40.306 15.794 -20.467 1.00 0.00 C ATOM 250 O LEU A 17 -41.362 15.666 -19.841 1.00 0.00 O ATOM 251 CB LEU A 17 -37.976 15.467 -19.489 1.00 0.00 C ATOM 252 CG LEU A 17 -38.214 14.586 -18.255 1.00 0.00 C ATOM 253 CD1 LEU A 17 -39.160 13.430 -18.529 1.00 0.00 C ATOM 254 CD2 LEU A 17 -36.874 13.987 -17.876 1.00 0.00 C ATOM 0 H LEU A 17 -39.507 16.896 -17.848 1.00 0.00 H new ATOM 0 HA LEU A 17 -38.751 17.109 -20.681 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -37.817 14.812 -20.345 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -37.049 16.020 -19.335 1.00 0.00 H new ATOM 0 HG LEU A 17 -38.656 15.205 -17.474 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -39.290 12.843 -17.620 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -40.126 13.819 -18.851 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -38.744 12.798 -19.313 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -36.995 13.350 -17.000 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -36.493 13.393 -18.707 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -36.169 14.787 -17.649 1.00 0.00 H new ATOM 266 N LYS A 18 -40.136 15.375 -21.726 1.00 0.00 N ATOM 267 CA LYS A 18 -41.019 14.490 -22.509 1.00 0.00 C ATOM 268 C LYS A 18 -40.268 13.414 -23.293 1.00 0.00 C ATOM 269 O LYS A 18 -39.299 13.734 -23.984 1.00 0.00 O ATOM 270 CB LYS A 18 -41.961 15.260 -23.440 1.00 0.00 C ATOM 271 CG LYS A 18 -41.317 16.408 -24.244 1.00 0.00 C ATOM 272 CD LYS A 18 -41.657 16.348 -25.739 1.00 0.00 C ATOM 273 CE LYS A 18 -40.770 15.323 -26.453 1.00 0.00 C ATOM 274 NZ LYS A 18 -41.197 15.130 -27.858 1.00 0.00 N ATOM 0 H LYS A 18 -39.321 15.664 -22.267 1.00 0.00 H new ATOM 0 HA LYS A 18 -41.624 13.982 -21.758 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -42.405 14.554 -24.142 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -42.775 15.671 -22.843 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -41.651 17.363 -23.838 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -40.235 16.370 -24.120 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -42.706 16.082 -25.868 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -41.520 17.331 -26.188 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -39.733 15.656 -26.428 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -40.812 14.371 -25.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -40.528 14.496 -28.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -42.148 14.710 -27.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -41.215 16.049 -28.345 1.00 0.00 H new ATOM 288 N TYR A 19 -40.767 12.179 -23.262 1.00 0.00 N ATOM 289 CA TYR A 19 -40.222 11.048 -24.021 1.00 0.00 C ATOM 290 C TYR A 19 -41.100 10.711 -25.233 1.00 0.00 C ATOM 291 O TYR A 19 -42.326 10.617 -25.143 1.00 0.00 O ATOM 292 CB TYR A 19 -40.111 9.766 -23.180 1.00 0.00 C ATOM 293 CG TYR A 19 -39.614 9.902 -21.764 1.00 0.00 C ATOM 294 CD1 TYR A 19 -40.487 10.356 -20.757 1.00 0.00 C ATOM 295 CD2 TYR A 19 -38.300 9.522 -21.444 1.00 0.00 C ATOM 296 CE1 TYR A 19 -40.037 10.459 -19.431 1.00 0.00 C ATOM 297 CE2 TYR A 19 -37.842 9.634 -20.124 1.00 0.00 C ATOM 298 CZ TYR A 19 -38.720 10.078 -19.107 1.00 0.00 C ATOM 299 OH TYR A 19 -38.331 10.129 -17.811 1.00 0.00 O ATOM 0 H TYR A 19 -41.579 11.929 -22.697 1.00 0.00 H new ATOM 0 HA TYR A 19 -39.229 11.370 -24.334 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -41.095 9.299 -23.147 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -39.449 9.077 -23.704 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -41.503 10.625 -21.005 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -37.644 9.144 -22.214 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -40.699 10.829 -18.662 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -36.820 9.382 -19.883 1.00 0.00 H new ATOM 0 HH TYR A 19 -38.216 9.218 -17.468 1.00 0.00 H new ATOM 309 N ASP A 20 -40.435 10.488 -26.358 1.00 0.00 N ATOM 310 CA ASP A 20 -40.964 9.857 -27.568 1.00 0.00 C ATOM 311 C ASP A 20 -40.420 8.423 -27.669 1.00 0.00 C ATOM 312 O ASP A 20 -39.225 8.183 -27.465 1.00 0.00 O ATOM 313 CB ASP A 20 -40.554 10.625 -28.835 1.00 0.00 C ATOM 314 CG ASP A 20 -40.940 12.111 -28.828 1.00 0.00 C ATOM 315 OD1 ASP A 20 -42.106 12.451 -28.513 1.00 0.00 O ATOM 316 OD2 ASP A 20 -40.090 12.971 -29.160 1.00 0.00 O ATOM 0 H ASP A 20 -39.456 10.756 -26.461 1.00 0.00 H new ATOM 0 HA ASP A 20 -42.052 9.859 -27.498 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -39.474 10.543 -28.962 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -41.014 10.147 -29.700 1.00 0.00 H new ATOM 321 N PHE A 21 -41.291 7.467 -28.003 1.00 0.00 N ATOM 322 CA PHE A 21 -40.875 6.101 -28.322 1.00 0.00 C ATOM 323 C PHE A 21 -40.941 5.859 -29.832 1.00 0.00 C ATOM 324 O PHE A 21 -41.918 6.177 -30.518 1.00 0.00 O ATOM 325 CB PHE A 21 -41.714 5.081 -27.547 1.00 0.00 C ATOM 326 CG PHE A 21 -41.308 3.642 -27.820 1.00 0.00 C ATOM 327 CD1 PHE A 21 -39.992 3.209 -27.556 1.00 0.00 C ATOM 328 CD2 PHE A 21 -42.232 2.741 -28.382 1.00 0.00 C ATOM 329 CE1 PHE A 21 -39.611 1.887 -27.832 1.00 0.00 C ATOM 330 CE2 PHE A 21 -41.846 1.420 -28.670 1.00 0.00 C ATOM 331 CZ PHE A 21 -40.538 0.989 -28.388 1.00 0.00 C ATOM 0 H PHE A 21 -42.298 7.618 -28.059 1.00 0.00 H new ATOM 0 HA PHE A 21 -39.838 5.971 -28.011 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -41.623 5.281 -26.479 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -42.764 5.211 -27.807 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -39.273 3.899 -27.139 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -43.240 3.065 -28.593 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -38.605 1.559 -27.617 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -42.556 0.735 -29.109 1.00 0.00 H new ATOM 0 HZ PHE A 21 -40.246 -0.029 -28.598 1.00 0.00 H new ATOM 341 N LEU A 22 -39.835 5.315 -30.322 1.00 0.00 N ATOM 342 CA LEU A 22 -39.453 5.075 -31.696 1.00 0.00 C ATOM 343 C LEU A 22 -39.039 3.599 -31.769 1.00 0.00 C ATOM 344 O LEU A 22 -38.559 3.011 -30.803 1.00 0.00 O ATOM 345 CB LEU A 22 -38.262 5.968 -32.127 1.00 0.00 C ATOM 346 CG LEU A 22 -38.362 7.505 -32.026 1.00 0.00 C ATOM 347 CD1 LEU A 22 -38.269 8.048 -30.606 1.00 0.00 C ATOM 348 CD2 LEU A 22 -37.213 8.151 -32.806 1.00 0.00 C ATOM 0 H LEU A 22 -39.103 4.997 -29.687 1.00 0.00 H new ATOM 0 HA LEU A 22 -40.281 5.310 -32.364 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -37.399 5.662 -31.536 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -38.038 5.727 -33.166 1.00 0.00 H new ATOM 0 HG LEU A 22 -39.346 7.749 -32.427 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -38.348 9.135 -30.626 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -39.080 7.636 -30.005 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -37.312 7.762 -30.169 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -37.288 9.236 -32.732 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -36.261 7.823 -32.389 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -37.272 7.854 -33.853 1.00 0.00 H new ATOM 360 N SER A 23 -39.204 2.982 -32.922 1.00 0.00 N ATOM 361 CA SER A 23 -38.303 1.889 -33.312 1.00 0.00 C ATOM 362 C SER A 23 -37.521 2.308 -34.543 1.00 0.00 C ATOM 363 O SER A 23 -38.128 2.815 -35.490 1.00 0.00 O ATOM 364 CB SER A 23 -39.060 0.602 -33.583 1.00 0.00 C ATOM 365 OG SER A 23 -39.712 0.131 -32.417 1.00 0.00 O ATOM 0 H SER A 23 -39.933 3.204 -33.600 1.00 0.00 H new ATOM 0 HA SER A 23 -37.621 1.693 -32.484 1.00 0.00 H new ATOM 0 HB2 SER A 23 -39.795 0.769 -34.370 1.00 0.00 H new ATOM 0 HB3 SER A 23 -38.369 -0.158 -33.948 1.00 0.00 H new ATOM 0 HG SER A 23 -40.192 -0.698 -32.623 1.00 0.00 H new ATOM 490 N PHE A 33 -34.934 -0.495 -30.546 1.00 0.00 N ATOM 491 CA PHE A 33 -36.104 0.335 -30.364 1.00 0.00 C ATOM 492 C PHE A 33 -35.594 1.530 -29.576 1.00 0.00 C ATOM 493 O PHE A 33 -34.799 1.426 -28.641 1.00 0.00 O ATOM 494 CB PHE A 33 -37.247 -0.340 -29.592 1.00 0.00 C ATOM 495 CG PHE A 33 -37.335 -1.852 -29.565 1.00 0.00 C ATOM 496 CD1 PHE A 33 -37.129 -2.637 -30.718 1.00 0.00 C ATOM 497 CD2 PHE A 33 -37.678 -2.470 -28.351 1.00 0.00 C ATOM 498 CE1 PHE A 33 -37.214 -4.039 -30.635 1.00 0.00 C ATOM 499 CE2 PHE A 33 -37.794 -3.866 -28.275 1.00 0.00 C ATOM 500 CZ PHE A 33 -37.542 -4.655 -29.413 1.00 0.00 C ATOM 0 HA PHE A 33 -36.537 0.581 -31.333 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -37.191 0.003 -28.559 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -38.185 0.035 -30.002 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -36.906 -2.163 -31.663 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -37.853 -1.868 -27.472 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -37.027 -4.643 -31.510 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -38.076 -4.335 -27.344 1.00 0.00 H new ATOM 0 HZ PHE A 33 -37.600 -5.731 -29.348 1.00 0.00 H new ATOM 510 N VAL A 34 -35.955 2.696 -30.063 1.00 0.00 N ATOM 511 CA VAL A 34 -35.270 3.923 -29.731 1.00 0.00 C ATOM 512 C VAL A 34 -36.146 4.777 -28.826 1.00 0.00 C ATOM 513 O VAL A 34 -37.316 5.034 -29.090 1.00 0.00 O ATOM 514 CB VAL A 34 -34.833 4.571 -31.047 1.00 0.00 C ATOM 515 CG1 VAL A 34 -34.443 6.019 -30.882 1.00 0.00 C ATOM 516 CG2 VAL A 34 -33.611 3.846 -31.594 1.00 0.00 C ATOM 0 H VAL A 34 -36.738 2.819 -30.705 1.00 0.00 H new ATOM 0 HA VAL A 34 -34.365 3.763 -29.145 1.00 0.00 H new ATOM 0 HB VAL A 34 -35.688 4.505 -31.720 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -34.142 6.427 -31.847 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -35.293 6.583 -30.499 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -33.612 6.094 -30.181 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -33.302 4.309 -32.531 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -32.797 3.909 -30.872 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -33.858 2.799 -31.771 1.00 0.00 H new ATOM 526 N MET A 35 -35.545 5.255 -27.750 1.00 0.00 N ATOM 527 CA MET A 35 -36.143 6.273 -26.888 1.00 0.00 C ATOM 528 C MET A 35 -35.453 7.589 -27.168 1.00 0.00 C ATOM 529 O MET A 35 -34.231 7.689 -27.068 1.00 0.00 O ATOM 530 CB MET A 35 -35.994 5.888 -25.404 1.00 0.00 C ATOM 531 CG MET A 35 -37.196 5.083 -24.905 1.00 0.00 C ATOM 532 SD MET A 35 -38.690 6.104 -24.733 1.00 0.00 S ATOM 533 CE MET A 35 -39.902 4.856 -24.241 1.00 0.00 C ATOM 0 H MET A 35 -34.622 4.949 -27.443 1.00 0.00 H new ATOM 0 HA MET A 35 -37.209 6.357 -27.097 1.00 0.00 H new ATOM 0 HB2 MET A 35 -35.084 5.304 -25.269 1.00 0.00 H new ATOM 0 HB3 MET A 35 -35.886 6.791 -24.803 1.00 0.00 H new ATOM 0 HG2 MET A 35 -37.396 4.266 -25.598 1.00 0.00 H new ATOM 0 HG3 MET A 35 -36.954 4.633 -23.942 1.00 0.00 H new ATOM 0 HE1 MET A 35 -40.905 5.278 -24.303 1.00 0.00 H new ATOM 0 HE2 MET A 35 -39.829 3.996 -24.906 1.00 0.00 H new ATOM 0 HE3 MET A 35 -39.704 4.541 -23.217 1.00 0.00 H new ATOM 543 N SER A 36 -36.247 8.595 -27.518 1.00 0.00 N ATOM 544 CA SER A 36 -35.775 9.955 -27.731 1.00 0.00 C ATOM 545 C SER A 36 -36.496 10.882 -26.756 1.00 0.00 C ATOM 546 O SER A 36 -37.680 10.722 -26.474 1.00 0.00 O ATOM 547 CB SER A 36 -35.904 10.341 -29.206 1.00 0.00 C ATOM 548 OG SER A 36 -37.035 11.135 -29.500 1.00 0.00 O ATOM 0 H SER A 36 -37.251 8.485 -27.663 1.00 0.00 H new ATOM 0 HA SER A 36 -34.710 10.046 -27.515 1.00 0.00 H new ATOM 0 HB2 SER A 36 -35.007 10.881 -29.509 1.00 0.00 H new ATOM 0 HB3 SER A 36 -35.947 9.432 -29.806 1.00 0.00 H new ATOM 0 HG SER A 36 -37.049 11.342 -30.458 1.00 0.00 H new ATOM 554 N VAL A 37 -35.752 11.774 -26.117 1.00 0.00 N ATOM 555 CA VAL A 37 -36.238 12.585 -24.989 1.00 0.00 C ATOM 556 C VAL A 37 -35.808 14.031 -25.150 1.00 0.00 C ATOM 557 O VAL A 37 -34.640 14.296 -25.443 1.00 0.00 O ATOM 558 CB VAL A 37 -35.821 12.064 -23.596 1.00 0.00 C ATOM 559 CG1 VAL A 37 -36.873 12.377 -22.531 1.00 0.00 C ATOM 560 CG2 VAL A 37 -35.461 10.592 -23.505 1.00 0.00 C ATOM 0 H VAL A 37 -34.781 11.964 -26.364 1.00 0.00 H new ATOM 0 HA VAL A 37 -37.324 12.505 -25.025 1.00 0.00 H new ATOM 0 HB VAL A 37 -34.897 12.612 -23.410 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -36.540 11.993 -21.567 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -37.013 13.456 -22.464 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -37.817 11.905 -22.803 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -35.186 10.347 -22.479 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -36.318 9.989 -23.805 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -34.620 10.382 -24.166 1.00 0.00 H new ATOM 570 N VAL A 38 -36.727 14.962 -24.899 1.00 0.00 N ATOM 571 CA VAL A 38 -36.387 16.383 -24.756 1.00 0.00 C ATOM 572 C VAL A 38 -36.444 16.682 -23.262 1.00 0.00 C ATOM 573 O VAL A 38 -37.456 16.422 -22.609 1.00 0.00 O ATOM 574 CB VAL A 38 -37.340 17.298 -25.546 1.00 0.00 C ATOM 575 CG1 VAL A 38 -37.005 18.779 -25.323 1.00 0.00 C ATOM 576 CG2 VAL A 38 -37.251 17.023 -27.052 1.00 0.00 C ATOM 0 H VAL A 38 -37.721 14.759 -24.789 1.00 0.00 H new ATOM 0 HA VAL A 38 -35.397 16.581 -25.168 1.00 0.00 H new ATOM 0 HB VAL A 38 -38.345 17.083 -25.183 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -37.696 19.398 -25.895 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -37.096 19.017 -24.263 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -35.985 18.975 -25.653 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -37.935 17.684 -27.584 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -36.232 17.203 -27.395 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -37.522 15.986 -27.249 1.00 0.00 H new ATOM 586 N VAL A 39 -35.309 17.129 -22.720 1.00 0.00 N ATOM 587 CA VAL A 39 -34.987 17.149 -21.282 1.00 0.00 C ATOM 588 C VAL A 39 -34.193 18.421 -20.970 1.00 0.00 C ATOM 589 O VAL A 39 -33.258 18.741 -21.704 1.00 0.00 O ATOM 590 CB VAL A 39 -34.148 15.905 -20.891 1.00 0.00 C ATOM 591 CG1 VAL A 39 -33.870 15.887 -19.387 1.00 0.00 C ATOM 592 CG2 VAL A 39 -34.754 14.563 -21.276 1.00 0.00 C ATOM 0 H VAL A 39 -34.553 17.504 -23.292 1.00 0.00 H new ATOM 0 HA VAL A 39 -35.914 17.133 -20.709 1.00 0.00 H new ATOM 0 HB VAL A 39 -33.231 16.015 -21.470 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -33.280 15.005 -19.137 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -33.318 16.784 -19.108 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -34.814 15.858 -18.843 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -34.090 13.759 -20.958 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -35.722 14.448 -20.789 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -34.885 14.520 -22.357 1.00 0.00 H new ATOM 602 N ASP A 40 -34.548 19.136 -19.895 1.00 0.00 N ATOM 603 CA ASP A 40 -34.119 20.508 -19.536 1.00 0.00 C ATOM 604 C ASP A 40 -34.421 21.564 -20.627 1.00 0.00 C ATOM 605 O ASP A 40 -35.274 22.437 -20.453 1.00 0.00 O ATOM 606 CB ASP A 40 -32.637 20.498 -19.099 1.00 0.00 C ATOM 607 CG ASP A 40 -32.006 21.902 -19.127 1.00 0.00 C ATOM 608 OD1 ASP A 40 -32.325 22.726 -18.237 1.00 0.00 O ATOM 609 OD2 ASP A 40 -31.224 22.184 -20.068 1.00 0.00 O ATOM 0 H ASP A 40 -35.187 18.751 -19.200 1.00 0.00 H new ATOM 0 HA ASP A 40 -34.725 20.828 -18.688 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -32.561 20.089 -18.092 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -32.072 19.836 -19.755 1.00 0.00 H new ATOM 614 N GLY A 41 -33.742 21.443 -21.763 1.00 0.00 N ATOM 615 CA GLY A 41 -33.883 22.218 -22.999 1.00 0.00 C ATOM 616 C GLY A 41 -33.046 21.626 -24.148 1.00 0.00 C ATOM 617 O GLY A 41 -32.729 22.323 -25.112 1.00 0.00 O ATOM 0 H GLY A 41 -33.012 20.737 -21.854 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -34.933 22.246 -23.292 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -33.575 23.248 -22.819 1.00 0.00 H new ATOM 621 N GLN A 42 -32.658 20.350 -24.020 1.00 0.00 N ATOM 622 CA GLN A 42 -31.716 19.608 -24.857 1.00 0.00 C ATOM 623 C GLN A 42 -32.385 18.309 -25.346 1.00 0.00 C ATOM 624 O GLN A 42 -33.503 17.990 -24.931 1.00 0.00 O ATOM 625 CB GLN A 42 -30.438 19.266 -24.052 1.00 0.00 C ATOM 626 CG GLN A 42 -29.974 20.264 -22.975 1.00 0.00 C ATOM 627 CD GLN A 42 -29.768 21.694 -23.472 1.00 0.00 C ATOM 628 OE1 GLN A 42 -29.282 21.948 -24.568 1.00 0.00 O ATOM 629 NE2 GLN A 42 -30.128 22.683 -22.680 1.00 0.00 N ATOM 0 H GLN A 42 -33.026 19.767 -23.268 1.00 0.00 H new ATOM 0 HA GLN A 42 -31.436 20.223 -25.713 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -30.596 18.302 -23.568 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -29.621 19.137 -24.762 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -30.709 20.276 -22.170 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -29.038 19.905 -22.546 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -30.533 22.483 -21.766 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -30.001 23.649 -22.981 1.00 0.00 H new ATOM 638 N PHE A 43 -31.703 17.531 -26.188 1.00 0.00 N ATOM 639 CA PHE A 43 -32.246 16.315 -26.804 1.00 0.00 C ATOM 640 C PHE A 43 -31.291 15.122 -26.655 1.00 0.00 C ATOM 641 O PHE A 43 -30.086 15.245 -26.896 1.00 0.00 O ATOM 642 CB PHE A 43 -32.553 16.623 -28.275 1.00 0.00 C ATOM 643 CG PHE A 43 -33.096 15.451 -29.069 1.00 0.00 C ATOM 644 CD1 PHE A 43 -34.363 14.918 -28.762 1.00 0.00 C ATOM 645 CD2 PHE A 43 -32.348 14.906 -30.131 1.00 0.00 C ATOM 646 CE1 PHE A 43 -34.883 13.856 -29.519 1.00 0.00 C ATOM 647 CE2 PHE A 43 -32.873 13.847 -30.891 1.00 0.00 C ATOM 648 CZ PHE A 43 -34.141 13.324 -30.588 1.00 0.00 C ATOM 0 H PHE A 43 -30.742 17.730 -26.467 1.00 0.00 H new ATOM 0 HA PHE A 43 -33.163 16.023 -26.292 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -33.275 17.439 -28.318 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -31.641 16.978 -28.755 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -34.936 15.327 -27.943 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -31.370 15.302 -30.361 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -35.854 13.447 -29.280 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -32.301 13.435 -31.709 1.00 0.00 H new ATOM 0 HZ PHE A 43 -34.546 12.514 -31.176 1.00 0.00 H new ATOM 658 N PHE A 44 -31.842 13.965 -26.274 1.00 0.00 N ATOM 659 CA PHE A 44 -31.105 12.738 -25.950 1.00 0.00 C ATOM 660 C PHE A 44 -31.756 11.515 -26.598 1.00 0.00 C ATOM 661 O PHE A 44 -32.970 11.479 -26.793 1.00 0.00 O ATOM 662 CB PHE A 44 -31.040 12.569 -24.423 1.00 0.00 C ATOM 663 CG PHE A 44 -30.399 13.754 -23.732 1.00 0.00 C ATOM 664 CD1 PHE A 44 -29.020 13.982 -23.881 1.00 0.00 C ATOM 665 CD2 PHE A 44 -31.192 14.682 -23.030 1.00 0.00 C ATOM 666 CE1 PHE A 44 -28.439 15.143 -23.347 1.00 0.00 C ATOM 667 CE2 PHE A 44 -30.602 15.828 -22.471 1.00 0.00 C ATOM 668 CZ PHE A 44 -29.229 16.062 -22.636 1.00 0.00 C ATOM 0 H PHE A 44 -32.851 13.853 -26.179 1.00 0.00 H new ATOM 0 HA PHE A 44 -30.094 12.822 -26.348 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -32.048 12.428 -24.034 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -30.477 11.666 -24.185 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -28.408 13.264 -24.406 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -32.253 14.513 -22.921 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -27.384 15.330 -23.483 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -31.206 16.529 -21.914 1.00 0.00 H new ATOM 0 HZ PHE A 44 -28.779 16.949 -22.216 1.00 0.00 H new ATOM 678 N GLU A 45 -30.949 10.502 -26.919 1.00 0.00 N ATOM 679 CA GLU A 45 -31.370 9.307 -27.661 1.00 0.00 C ATOM 680 C GLU A 45 -30.694 8.049 -27.106 1.00 0.00 C ATOM 681 O GLU A 45 -29.488 8.028 -26.845 1.00 0.00 O ATOM 682 CB GLU A 45 -31.065 9.444 -29.163 1.00 0.00 C ATOM 683 CG GLU A 45 -31.808 10.615 -29.818 1.00 0.00 C ATOM 684 CD GLU A 45 -31.653 10.586 -31.351 1.00 0.00 C ATOM 685 OE1 GLU A 45 -30.536 10.855 -31.856 1.00 0.00 O ATOM 686 OE2 GLU A 45 -32.648 10.300 -32.061 1.00 0.00 O ATOM 0 H GLU A 45 -29.961 10.487 -26.665 1.00 0.00 H new ATOM 0 HA GLU A 45 -32.448 9.212 -27.535 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -29.992 9.579 -29.300 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -31.337 8.518 -29.670 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -32.865 10.571 -29.556 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -31.422 11.557 -29.429 1.00 0.00 H new ATOM 693 N GLY A 46 -31.489 6.994 -26.936 1.00 0.00 N ATOM 694 CA GLY A 46 -31.082 5.698 -26.409 1.00 0.00 C ATOM 695 C GLY A 46 -31.611 4.564 -27.277 1.00 0.00 C ATOM 696 O GLY A 46 -32.821 4.434 -27.449 1.00 0.00 O ATOM 0 H GLY A 46 -32.480 7.024 -27.174 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -29.994 5.647 -26.361 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -31.452 5.584 -25.390 1.00 0.00 H new ATOM 700 N SER A 47 -30.717 3.741 -27.823 1.00 0.00 N ATOM 701 CA SER A 47 -31.050 2.648 -28.750 1.00 0.00 C ATOM 702 C SER A 47 -30.955 1.297 -28.040 1.00 0.00 C ATOM 703 O SER A 47 -29.873 0.809 -27.710 1.00 0.00 O ATOM 704 CB SER A 47 -30.165 2.718 -30.002 1.00 0.00 C ATOM 705 OG SER A 47 -28.785 2.858 -29.676 1.00 0.00 O ATOM 0 H SER A 47 -29.718 3.813 -27.632 1.00 0.00 H new ATOM 0 HA SER A 47 -32.082 2.761 -29.082 1.00 0.00 H new ATOM 0 HB2 SER A 47 -30.307 1.815 -30.597 1.00 0.00 H new ATOM 0 HB3 SER A 47 -30.478 3.559 -30.620 1.00 0.00 H new ATOM 0 HG SER A 47 -28.256 2.897 -30.500 1.00 0.00 H new ATOM 711 N GLY A 48 -32.118 0.729 -27.725 1.00 0.00 N ATOM 712 CA GLY A 48 -32.239 -0.407 -26.814 1.00 0.00 C ATOM 713 C GLY A 48 -33.175 -1.514 -27.284 1.00 0.00 C ATOM 714 O GLY A 48 -34.287 -1.258 -27.740 1.00 0.00 O ATOM 0 H GLY A 48 -33.012 1.048 -28.099 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -31.248 -0.833 -26.655 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -32.588 -0.043 -25.848 1.00 0.00 H new ATOM 718 N ARG A 49 -32.746 -2.772 -27.145 1.00 0.00 N ATOM 719 CA ARG A 49 -33.603 -3.954 -27.356 1.00 0.00 C ATOM 720 C ARG A 49 -34.815 -4.092 -26.412 1.00 0.00 C ATOM 721 O ARG A 49 -35.584 -5.036 -26.573 1.00 0.00 O ATOM 722 CB ARG A 49 -32.730 -5.233 -27.404 1.00 0.00 C ATOM 723 CG ARG A 49 -32.539 -5.723 -28.848 1.00 0.00 C ATOM 724 CD ARG A 49 -33.812 -6.337 -29.457 1.00 0.00 C ATOM 725 NE ARG A 49 -33.958 -7.771 -29.124 1.00 0.00 N ATOM 726 CZ ARG A 49 -34.804 -8.345 -28.285 1.00 0.00 C ATOM 727 NH1 ARG A 49 -35.604 -7.681 -27.501 1.00 0.00 N ATOM 728 NH2 ARG A 49 -34.863 -9.644 -28.210 1.00 0.00 N ATOM 0 H ARG A 49 -31.789 -3.006 -26.881 1.00 0.00 H new ATOM 0 HA ARG A 49 -34.082 -3.802 -28.323 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -31.758 -5.030 -26.955 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -33.198 -6.018 -26.810 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -32.215 -4.887 -29.468 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -31.740 -6.464 -28.870 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -34.684 -5.792 -29.096 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -33.788 -6.218 -30.540 1.00 0.00 H new ATOM 0 HE ARG A 49 -33.319 -8.403 -29.607 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -35.600 -6.661 -27.513 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -36.235 -8.181 -26.875 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -34.257 -10.217 -28.798 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -35.515 -10.088 -27.563 1.00 0.00 H new ATOM 742 N ASN A 50 -34.997 -3.180 -25.452 1.00 0.00 N ATOM 743 CA ASN A 50 -36.180 -3.006 -24.591 1.00 0.00 C ATOM 744 C ASN A 50 -36.153 -1.580 -23.979 1.00 0.00 C ATOM 745 O ASN A 50 -35.072 -1.009 -23.859 1.00 0.00 O ATOM 746 CB ASN A 50 -36.138 -4.097 -23.508 1.00 0.00 C ATOM 747 CG ASN A 50 -37.385 -4.139 -22.638 1.00 0.00 C ATOM 748 OD1 ASN A 50 -37.635 -3.256 -21.835 1.00 0.00 O ATOM 749 ND2 ASN A 50 -38.205 -5.154 -22.758 1.00 0.00 N ATOM 0 H ASN A 50 -34.273 -2.494 -25.238 1.00 0.00 H new ATOM 0 HA ASN A 50 -37.108 -3.106 -25.154 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -36.006 -5.067 -23.986 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -35.267 -3.934 -22.873 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -39.045 -5.202 -22.182 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -38.003 -5.897 -23.427 1.00 0.00 H new ATOM 756 N LYS A 51 -37.273 -1.004 -23.519 1.00 0.00 N ATOM 757 CA LYS A 51 -37.319 0.263 -22.738 1.00 0.00 C ATOM 758 C LYS A 51 -36.464 0.270 -21.468 1.00 0.00 C ATOM 759 O LYS A 51 -35.861 1.306 -21.205 1.00 0.00 O ATOM 760 CB LYS A 51 -38.780 0.629 -22.437 1.00 0.00 C ATOM 761 CG LYS A 51 -39.435 1.206 -23.704 1.00 0.00 C ATOM 762 CD LYS A 51 -40.967 1.224 -23.597 1.00 0.00 C ATOM 763 CE LYS A 51 -41.598 1.601 -24.945 1.00 0.00 C ATOM 764 NZ LYS A 51 -43.081 1.501 -24.914 1.00 0.00 N ATOM 0 H LYS A 51 -38.197 -1.406 -23.677 1.00 0.00 H new ATOM 0 HA LYS A 51 -36.864 1.027 -23.368 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -39.326 -0.253 -22.102 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -38.824 1.358 -21.628 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -39.071 2.219 -23.872 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -39.138 0.613 -24.569 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -41.327 0.244 -23.282 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -41.275 1.937 -22.833 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -41.309 2.618 -25.209 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -41.207 0.946 -25.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -43.466 1.764 -25.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -43.358 0.525 -24.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -43.457 2.144 -24.189 1.00 0.00 H new ATOM 778 N LYS A 52 -36.268 -0.843 -20.746 1.00 0.00 N ATOM 779 CA LYS A 52 -35.266 -0.905 -19.645 1.00 0.00 C ATOM 780 C LYS A 52 -33.802 -0.738 -20.081 1.00 0.00 C ATOM 781 O LYS A 52 -32.914 -0.655 -19.236 1.00 0.00 O ATOM 782 CB LYS A 52 -35.473 -2.112 -18.719 1.00 0.00 C ATOM 783 CG LYS A 52 -35.394 -3.534 -19.290 1.00 0.00 C ATOM 784 CD LYS A 52 -34.207 -3.887 -20.200 1.00 0.00 C ATOM 785 CE LYS A 52 -34.323 -5.308 -20.779 1.00 0.00 C ATOM 786 NZ LYS A 52 -34.222 -6.367 -19.736 1.00 0.00 N ATOM 0 H LYS A 52 -36.781 -1.712 -20.895 1.00 0.00 H new ATOM 0 HA LYS A 52 -35.470 -0.011 -19.055 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -34.733 -2.040 -17.921 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -36.453 -2.002 -18.256 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -35.388 -4.230 -18.451 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -36.310 -3.719 -19.851 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -34.150 -3.167 -21.016 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -33.279 -3.801 -19.634 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -35.276 -5.407 -21.299 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -33.538 -5.459 -21.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -34.255 -7.303 -20.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -33.324 -6.263 -19.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -35.016 -6.275 -19.070 1.00 0.00 H new ATOM 800 N LEU A 53 -33.564 -0.666 -21.391 1.00 0.00 N ATOM 801 CA LEU A 53 -32.272 -0.434 -22.024 1.00 0.00 C ATOM 802 C LEU A 53 -32.295 0.878 -22.836 1.00 0.00 C ATOM 803 O LEU A 53 -31.466 1.747 -22.592 1.00 0.00 O ATOM 804 CB LEU A 53 -31.914 -1.697 -22.838 1.00 0.00 C ATOM 805 CG LEU A 53 -30.641 -1.609 -23.696 1.00 0.00 C ATOM 806 CD1 LEU A 53 -29.417 -1.170 -22.893 1.00 0.00 C ATOM 807 CD2 LEU A 53 -30.342 -2.973 -24.315 1.00 0.00 C ATOM 0 H LEU A 53 -34.313 -0.775 -22.075 1.00 0.00 H new ATOM 0 HA LEU A 53 -31.479 -0.284 -21.291 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -31.804 -2.532 -22.146 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -32.753 -1.933 -23.492 1.00 0.00 H new ATOM 0 HG LEU A 53 -30.832 -0.859 -24.463 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -28.548 -1.125 -23.549 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -29.598 -0.185 -22.463 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -29.231 -1.886 -22.093 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -29.439 -2.907 -24.922 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -30.194 -3.707 -23.523 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -31.179 -3.280 -24.942 1.00 0.00 H new ATOM 819 N ALA A 54 -33.260 1.081 -23.739 1.00 0.00 N ATOM 820 CA ALA A 54 -33.479 2.325 -24.481 1.00 0.00 C ATOM 821 C ALA A 54 -33.648 3.539 -23.556 1.00 0.00 C ATOM 822 O ALA A 54 -32.922 4.525 -23.693 1.00 0.00 O ATOM 823 CB ALA A 54 -34.685 2.143 -25.415 1.00 0.00 C ATOM 0 H ALA A 54 -33.935 0.356 -23.982 1.00 0.00 H new ATOM 0 HA ALA A 54 -32.591 2.536 -25.077 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -34.856 3.064 -25.972 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -34.486 1.329 -26.112 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -35.570 1.906 -24.824 1.00 0.00 H new ATOM 829 N LYS A 55 -34.582 3.476 -22.591 1.00 0.00 N ATOM 830 CA LYS A 55 -34.659 4.466 -21.509 1.00 0.00 C ATOM 831 C LYS A 55 -33.348 4.588 -20.743 1.00 0.00 C ATOM 832 O LYS A 55 -32.926 5.705 -20.531 1.00 0.00 O ATOM 833 CB LYS A 55 -35.848 4.241 -20.553 1.00 0.00 C ATOM 834 CG LYS A 55 -36.210 5.554 -19.855 1.00 0.00 C ATOM 835 CD LYS A 55 -37.704 5.877 -19.838 1.00 0.00 C ATOM 836 CE LYS A 55 -38.336 5.944 -21.236 1.00 0.00 C ATOM 837 NZ LYS A 55 -39.683 6.578 -21.180 1.00 0.00 N ATOM 0 H LYS A 55 -35.294 2.747 -22.541 1.00 0.00 H new ATOM 0 HA LYS A 55 -34.842 5.419 -22.006 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -36.707 3.866 -21.109 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -35.592 3.484 -19.812 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -35.849 5.515 -18.827 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -35.681 6.370 -20.348 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -38.224 5.121 -19.250 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -37.855 6.832 -19.334 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -37.690 6.512 -21.905 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -38.419 4.939 -21.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -40.282 6.188 -21.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -40.120 6.384 -20.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -39.589 7.606 -21.309 1.00 0.00 H new ATOM 851 N ALA A 56 -32.706 3.495 -20.320 1.00 0.00 N ATOM 852 CA ALA A 56 -31.457 3.535 -19.553 1.00 0.00 C ATOM 853 C ALA A 56 -30.355 4.327 -20.266 1.00 0.00 C ATOM 854 O ALA A 56 -29.767 5.201 -19.653 1.00 0.00 O ATOM 855 CB ALA A 56 -31.015 2.114 -19.191 1.00 0.00 C ATOM 0 H ALA A 56 -33.041 2.549 -20.502 1.00 0.00 H new ATOM 0 HA ALA A 56 -31.649 4.076 -18.626 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -30.086 2.156 -18.622 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -31.788 1.634 -18.590 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -30.856 1.539 -20.103 1.00 0.00 H new ATOM 861 N ARG A 57 -30.120 4.058 -21.553 1.00 0.00 N ATOM 862 CA ARG A 57 -29.267 4.775 -22.512 1.00 0.00 C ATOM 863 C ARG A 57 -29.611 6.264 -22.634 1.00 0.00 C ATOM 864 O ARG A 57 -28.760 7.118 -22.384 1.00 0.00 O ATOM 865 CB ARG A 57 -29.439 4.080 -23.879 1.00 0.00 C ATOM 866 CG ARG A 57 -28.804 2.689 -24.006 1.00 0.00 C ATOM 867 CD ARG A 57 -27.280 2.734 -24.131 1.00 0.00 C ATOM 868 NE ARG A 57 -26.801 3.616 -25.228 1.00 0.00 N ATOM 869 CZ ARG A 57 -27.039 3.502 -26.526 1.00 0.00 C ATOM 870 NH1 ARG A 57 -27.636 2.470 -27.038 1.00 0.00 N ATOM 871 NH2 ARG A 57 -26.716 4.447 -27.359 1.00 0.00 N ATOM 0 H ARG A 57 -30.565 3.254 -21.996 1.00 0.00 H new ATOM 0 HA ARG A 57 -28.236 4.738 -22.160 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -30.505 3.992 -24.089 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -29.014 4.724 -24.649 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -29.074 2.092 -23.135 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -29.219 2.185 -24.879 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -26.856 3.078 -23.188 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -26.907 1.724 -24.299 1.00 0.00 H new ATOM 0 HE ARG A 57 -26.218 4.405 -24.947 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -27.942 1.706 -26.435 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -27.800 2.422 -28.044 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -26.270 5.298 -27.017 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -26.909 4.337 -28.355 1.00 0.00 H new ATOM 885 N ALA A 58 -30.849 6.575 -23.024 1.00 0.00 N ATOM 886 CA ALA A 58 -31.355 7.946 -23.122 1.00 0.00 C ATOM 887 C ALA A 58 -31.207 8.724 -21.800 1.00 0.00 C ATOM 888 O ALA A 58 -30.644 9.817 -21.767 1.00 0.00 O ATOM 889 CB ALA A 58 -32.815 7.889 -23.582 1.00 0.00 C ATOM 0 H ALA A 58 -31.539 5.870 -23.285 1.00 0.00 H new ATOM 0 HA ALA A 58 -30.758 8.493 -23.851 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -33.211 8.901 -23.661 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -32.871 7.400 -24.555 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -33.403 7.325 -22.858 1.00 0.00 H new ATOM 895 N ALA A 59 -31.667 8.114 -20.707 1.00 0.00 N ATOM 896 CA ALA A 59 -31.509 8.574 -19.331 1.00 0.00 C ATOM 897 C ALA A 59 -30.048 8.815 -18.951 1.00 0.00 C ATOM 898 O ALA A 59 -29.730 9.897 -18.491 1.00 0.00 O ATOM 899 CB ALA A 59 -32.140 7.559 -18.367 1.00 0.00 C ATOM 0 H ALA A 59 -32.188 7.239 -20.763 1.00 0.00 H new ATOM 0 HA ALA A 59 -32.021 9.533 -19.253 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -32.019 7.908 -17.341 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -33.201 7.455 -18.592 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -31.648 6.593 -18.482 1.00 0.00 H new ATOM 905 N GLN A 60 -29.157 7.847 -19.160 1.00 0.00 N ATOM 906 CA GLN A 60 -27.715 7.936 -18.910 1.00 0.00 C ATOM 907 C GLN A 60 -27.091 9.160 -19.595 1.00 0.00 C ATOM 908 O GLN A 60 -26.414 9.962 -18.946 1.00 0.00 O ATOM 909 CB GLN A 60 -27.070 6.620 -19.401 1.00 0.00 C ATOM 910 CG GLN A 60 -26.928 5.580 -18.281 1.00 0.00 C ATOM 911 CD GLN A 60 -25.822 5.948 -17.300 1.00 0.00 C ATOM 912 OE1 GLN A 60 -26.065 6.418 -16.197 1.00 0.00 O ATOM 913 NE2 GLN A 60 -24.567 5.774 -17.657 1.00 0.00 N ATOM 0 H GLN A 60 -29.432 6.935 -19.526 1.00 0.00 H new ATOM 0 HA GLN A 60 -27.533 8.067 -17.843 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -27.674 6.202 -20.206 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -26.087 6.835 -19.819 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -27.873 5.492 -17.746 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -26.716 4.604 -18.717 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -24.347 5.383 -18.573 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -23.815 6.030 -17.017 1.00 0.00 H new ATOM 922 N SER A 61 -27.371 9.321 -20.891 1.00 0.00 N ATOM 923 CA SER A 61 -26.988 10.494 -21.689 1.00 0.00 C ATOM 924 C SER A 61 -27.493 11.806 -21.071 1.00 0.00 C ATOM 925 O SER A 61 -26.700 12.711 -20.783 1.00 0.00 O ATOM 926 CB SER A 61 -27.481 10.352 -23.138 1.00 0.00 C ATOM 927 OG SER A 61 -27.066 9.120 -23.713 1.00 0.00 O ATOM 0 H SER A 61 -27.883 8.623 -21.430 1.00 0.00 H new ATOM 0 HA SER A 61 -25.899 10.537 -21.692 1.00 0.00 H new ATOM 0 HB2 SER A 61 -28.569 10.417 -23.161 1.00 0.00 H new ATOM 0 HB3 SER A 61 -27.100 11.180 -23.736 1.00 0.00 H new ATOM 0 HG SER A 61 -27.627 8.393 -23.370 1.00 0.00 H new ATOM 933 N ALA A 62 -28.808 11.882 -20.832 1.00 0.00 N ATOM 934 CA ALA A 62 -29.476 13.012 -20.197 1.00 0.00 C ATOM 935 C ALA A 62 -28.866 13.354 -18.831 1.00 0.00 C ATOM 936 O ALA A 62 -28.310 14.435 -18.693 1.00 0.00 O ATOM 937 CB ALA A 62 -30.980 12.722 -20.123 1.00 0.00 C ATOM 0 H ALA A 62 -29.452 11.132 -21.085 1.00 0.00 H new ATOM 0 HA ALA A 62 -29.325 13.905 -20.803 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -31.489 13.561 -19.649 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -31.373 12.580 -21.130 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -31.148 11.818 -19.537 1.00 0.00 H new ATOM 943 N LEU A 63 -28.898 12.426 -17.866 1.00 0.00 N ATOM 944 CA LEU A 63 -28.325 12.511 -16.516 1.00 0.00 C ATOM 945 C LEU A 63 -26.917 13.091 -16.543 1.00 0.00 C ATOM 946 O LEU A 63 -26.698 14.148 -15.958 1.00 0.00 O ATOM 947 CB LEU A 63 -28.290 11.109 -15.861 1.00 0.00 C ATOM 948 CG LEU A 63 -29.515 10.669 -15.038 1.00 0.00 C ATOM 949 CD1 LEU A 63 -30.836 11.340 -15.393 1.00 0.00 C ATOM 950 CD2 LEU A 63 -29.710 9.156 -15.145 1.00 0.00 C ATOM 0 H LEU A 63 -29.359 11.529 -18.020 1.00 0.00 H new ATOM 0 HA LEU A 63 -28.960 13.176 -15.930 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -28.136 10.374 -16.651 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -27.416 11.065 -15.211 1.00 0.00 H new ATOM 0 HG LEU A 63 -29.274 10.988 -14.024 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -31.626 10.952 -14.749 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -30.747 12.417 -15.250 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -31.082 11.132 -16.434 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -30.579 8.859 -14.558 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -29.865 8.882 -16.189 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -28.824 8.647 -14.764 1.00 0.00 H new ATOM 962 N ALA A 64 -25.984 12.437 -17.245 1.00 0.00 N ATOM 963 CA ALA A 64 -24.607 12.910 -17.332 1.00 0.00 C ATOM 964 C ALA A 64 -24.558 14.368 -17.824 1.00 0.00 C ATOM 965 O ALA A 64 -23.999 15.229 -17.140 1.00 0.00 O ATOM 966 CB ALA A 64 -23.813 11.956 -18.231 1.00 0.00 C ATOM 0 H ALA A 64 -26.164 11.576 -17.761 1.00 0.00 H new ATOM 0 HA ALA A 64 -24.147 12.910 -16.344 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -22.781 12.299 -18.304 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -23.833 10.953 -17.804 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -24.260 11.936 -19.225 1.00 0.00 H new ATOM 972 N THR A 65 -25.200 14.655 -18.962 1.00 0.00 N ATOM 973 CA THR A 65 -25.321 16.014 -19.518 1.00 0.00 C ATOM 974 C THR A 65 -25.932 17.026 -18.540 1.00 0.00 C ATOM 975 O THR A 65 -25.237 17.920 -18.054 1.00 0.00 O ATOM 976 CB THR A 65 -26.088 16.003 -20.852 1.00 0.00 C ATOM 977 OG1 THR A 65 -25.461 15.123 -21.762 1.00 0.00 O ATOM 978 CG2 THR A 65 -26.128 17.391 -21.500 1.00 0.00 C ATOM 0 H THR A 65 -25.657 13.943 -19.532 1.00 0.00 H new ATOM 0 HA THR A 65 -24.301 16.352 -19.703 1.00 0.00 H new ATOM 0 HB THR A 65 -27.105 15.681 -20.630 1.00 0.00 H new ATOM 0 HG1 THR A 65 -25.748 14.204 -21.579 1.00 0.00 H new ATOM 0 HG21 THR A 65 -26.679 17.338 -22.439 1.00 0.00 H new ATOM 0 HG22 THR A 65 -26.623 18.092 -20.828 1.00 0.00 H new ATOM 0 HG23 THR A 65 -25.111 17.731 -21.694 1.00 0.00 H new ATOM 986 N VAL A 66 -27.244 16.949 -18.304 1.00 0.00 N ATOM 987 CA VAL A 66 -28.004 17.897 -17.481 1.00 0.00 C ATOM 988 C VAL A 66 -27.462 18.064 -16.059 1.00 0.00 C ATOM 989 O VAL A 66 -27.300 19.194 -15.608 1.00 0.00 O ATOM 990 CB VAL A 66 -29.531 17.683 -17.544 1.00 0.00 C ATOM 991 CG1 VAL A 66 -30.010 17.566 -18.999 1.00 0.00 C ATOM 992 CG2 VAL A 66 -30.041 16.476 -16.756 1.00 0.00 C ATOM 0 H VAL A 66 -27.825 16.205 -18.691 1.00 0.00 H new ATOM 0 HA VAL A 66 -27.835 18.866 -17.950 1.00 0.00 H new ATOM 0 HB VAL A 66 -29.951 18.569 -17.068 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -31.089 17.416 -19.016 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -29.763 18.480 -19.538 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -29.518 16.719 -19.477 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -31.124 16.406 -16.859 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -29.580 15.567 -17.143 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -29.783 16.593 -15.703 1.00 0.00 H new ATOM 1002 N PHE A 67 -27.155 16.984 -15.332 1.00 0.00 N ATOM 1003 CA PHE A 67 -26.452 17.068 -14.044 1.00 0.00 C ATOM 1004 C PHE A 67 -25.086 17.781 -14.111 1.00 0.00 C ATOM 1005 O PHE A 67 -24.807 18.625 -13.258 1.00 0.00 O ATOM 1006 CB PHE A 67 -26.338 15.714 -13.338 1.00 0.00 C ATOM 1007 CG PHE A 67 -27.618 14.917 -13.068 1.00 0.00 C ATOM 1008 CD1 PHE A 67 -28.903 15.449 -13.310 1.00 0.00 C ATOM 1009 CD2 PHE A 67 -27.520 13.613 -12.543 1.00 0.00 C ATOM 1010 CE1 PHE A 67 -30.054 14.679 -13.089 1.00 0.00 C ATOM 1011 CE2 PHE A 67 -28.678 12.858 -12.270 1.00 0.00 C ATOM 1012 CZ PHE A 67 -29.951 13.386 -12.554 1.00 0.00 C ATOM 0 H PHE A 67 -27.385 16.032 -15.616 1.00 0.00 H new ATOM 0 HA PHE A 67 -27.093 17.705 -13.434 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -25.676 15.085 -13.933 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -25.844 15.880 -12.381 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -29.001 16.462 -13.670 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -26.547 13.188 -12.348 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -31.025 15.084 -13.332 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -28.588 11.871 -11.841 1.00 0.00 H new ATOM 0 HZ PHE A 67 -30.839 12.802 -12.362 1.00 0.00 H new ATOM 1022 N ASN A 68 -24.210 17.454 -15.081 1.00 0.00 N ATOM 1023 CA ASN A 68 -22.958 18.204 -15.304 1.00 0.00 C ATOM 1024 C ASN A 68 -23.192 19.711 -15.528 1.00 0.00 C ATOM 1025 O ASN A 68 -22.429 20.539 -15.027 1.00 0.00 O ATOM 1026 CB ASN A 68 -22.149 17.558 -16.442 1.00 0.00 C ATOM 1027 CG ASN A 68 -20.806 18.233 -16.663 1.00 0.00 C ATOM 1028 OD1 ASN A 68 -19.831 17.970 -15.973 1.00 0.00 O ATOM 1029 ND2 ASN A 68 -20.704 19.121 -17.628 1.00 0.00 N ATOM 0 H ASN A 68 -24.347 16.674 -15.724 1.00 0.00 H new ATOM 0 HA ASN A 68 -22.368 18.142 -14.390 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -21.988 16.504 -16.215 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -22.729 17.601 -17.364 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -19.814 19.588 -17.799 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -21.515 19.342 -18.205 1.00 0.00 H new ATOM 1036 N LEU A 69 -24.265 20.058 -16.249 1.00 0.00 N ATOM 1037 CA LEU A 69 -24.807 21.417 -16.350 1.00 0.00 C ATOM 1038 C LEU A 69 -25.151 21.965 -14.945 1.00 0.00 C ATOM 1039 O LEU A 69 -24.531 22.940 -14.513 1.00 0.00 O ATOM 1040 CB LEU A 69 -25.959 21.395 -17.389 1.00 0.00 C ATOM 1041 CG LEU A 69 -27.251 22.173 -17.080 1.00 0.00 C ATOM 1042 CD1 LEU A 69 -27.018 23.688 -17.055 1.00 0.00 C ATOM 1043 CD2 LEU A 69 -28.297 21.917 -18.166 1.00 0.00 C ATOM 0 H LEU A 69 -24.796 19.379 -16.795 1.00 0.00 H new ATOM 0 HA LEU A 69 -24.078 22.135 -16.726 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -25.562 21.775 -18.330 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -26.233 20.353 -17.556 1.00 0.00 H new ATOM 0 HG LEU A 69 -27.587 21.828 -16.102 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -27.956 24.197 -16.833 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -26.283 23.931 -16.287 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -26.648 24.015 -18.027 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -29.205 22.473 -17.935 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -27.908 22.243 -19.130 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -28.525 20.852 -18.208 1.00 0.00 H new