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 50 ASN : amide:sc= 1.58 K(o=2.7,f=-10!) USER MOD Set 1.2: A 51 LYS NZ :NH3+ -149:sc= 1.15 (180deg=0.359) USER MOD Set 2.1: A 35 MET CE :methyl -175:sc= -0.292 (180deg=-0.377) USER MOD Set 2.2: A 55 LYS NZ :NH3+ -141:sc= 0.891 (180deg=0.0931) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= 0.0321 X(o=0.032,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 158:sc= 1.01 (180deg=-0.0821) USER MOD Single : A 19 TYR OH : rot -120:sc= 0 USER MOD Single : A 23 SER OG : rot 42:sc= 0.113 USER MOD Single : A 36 SER OG : rot 180:sc= -0.0118 USER MOD Single : A 42 GLN : amide:sc= 0.724 K(o=0.72,f=-0.14) USER MOD Single : A 47 SER OG : rot 180:sc= 0.601 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc=-0.00417 X(o=-0.0042,f=-0.41) USER MOD Single : A 61 SER OG : rot 78:sc= 0.359 USER MOD Single : A 65 THR OG1 : rot 78:sc= 0.498 USER MOD Single : A 68 ASN : amide:sc= 1.05 K(o=1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 69 N PRO A 6 -30.980 4.111 -13.907 1.00 0.00 N ATOM 70 CA PRO A 6 -30.996 5.321 -14.725 1.00 0.00 C ATOM 71 C PRO A 6 -32.376 5.748 -15.215 1.00 0.00 C ATOM 72 O PRO A 6 -32.719 6.922 -15.068 1.00 0.00 O ATOM 73 CB PRO A 6 -30.030 5.047 -15.882 1.00 0.00 C ATOM 74 CG PRO A 6 -30.105 3.527 -16.023 1.00 0.00 C ATOM 75 CD PRO A 6 -30.207 3.069 -14.568 1.00 0.00 C ATOM 0 HA PRO A 6 -30.688 6.173 -14.120 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -30.337 5.555 -16.796 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -29.019 5.384 -15.655 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -30.970 3.215 -16.609 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -29.222 3.120 -16.516 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -30.701 2.100 -14.491 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -29.221 2.961 -14.117 1.00 0.00 H new ATOM 83 N VAL A 7 -33.197 4.818 -15.725 1.00 0.00 N ATOM 84 CA VAL A 7 -34.592 5.128 -16.093 1.00 0.00 C ATOM 85 C VAL A 7 -35.300 5.725 -14.887 1.00 0.00 C ATOM 86 O VAL A 7 -35.873 6.803 -14.954 1.00 0.00 O ATOM 87 CB VAL A 7 -35.381 3.890 -16.572 1.00 0.00 C ATOM 88 CG1 VAL A 7 -36.864 4.157 -16.854 1.00 0.00 C ATOM 89 CG2 VAL A 7 -34.623 3.108 -17.635 1.00 0.00 C ATOM 0 H VAL A 7 -32.924 3.850 -15.892 1.00 0.00 H new ATOM 0 HA VAL A 7 -34.557 5.831 -16.925 1.00 0.00 H new ATOM 0 HB VAL A 7 -35.443 3.206 -15.725 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -37.343 3.236 -17.185 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -37.349 4.512 -15.945 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -36.956 4.914 -17.633 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -35.214 2.246 -17.943 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -34.440 3.749 -18.497 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -33.671 2.768 -17.227 1.00 0.00 H new ATOM 99 N MET A 8 -35.217 5.000 -13.780 1.00 0.00 N ATOM 100 CA MET A 8 -35.815 5.296 -12.492 1.00 0.00 C ATOM 101 C MET A 8 -35.457 6.661 -11.895 1.00 0.00 C ATOM 102 O MET A 8 -36.363 7.408 -11.517 1.00 0.00 O ATOM 103 CB MET A 8 -35.446 4.125 -11.589 1.00 0.00 C ATOM 104 CG MET A 8 -36.200 4.169 -10.266 1.00 0.00 C ATOM 105 SD MET A 8 -35.431 5.186 -8.969 1.00 0.00 S ATOM 106 CE MET A 8 -36.851 5.426 -7.868 1.00 0.00 C ATOM 0 H MET A 8 -34.691 4.126 -13.761 1.00 0.00 H new ATOM 0 HA MET A 8 -36.894 5.395 -12.606 1.00 0.00 H new ATOM 0 HB2 MET A 8 -35.666 3.188 -12.101 1.00 0.00 H new ATOM 0 HB3 MET A 8 -34.373 4.139 -11.396 1.00 0.00 H new ATOM 0 HG2 MET A 8 -37.206 4.546 -10.452 1.00 0.00 H new ATOM 0 HG3 MET A 8 -36.305 3.151 -9.892 1.00 0.00 H new ATOM 0 HE1 MET A 8 -36.551 6.034 -7.014 1.00 0.00 H new ATOM 0 HE2 MET A 8 -37.650 5.932 -8.410 1.00 0.00 H new ATOM 0 HE3 MET A 8 -37.207 4.457 -7.517 1.00 0.00 H new ATOM 116 N ILE A 9 -34.167 6.982 -11.742 1.00 0.00 N ATOM 117 CA ILE A 9 -33.749 8.320 -11.328 1.00 0.00 C ATOM 118 C ILE A 9 -34.198 9.412 -12.293 1.00 0.00 C ATOM 119 O ILE A 9 -34.766 10.389 -11.832 1.00 0.00 O ATOM 120 CB ILE A 9 -32.273 8.448 -10.911 1.00 0.00 C ATOM 121 CG1 ILE A 9 -31.249 7.984 -11.961 1.00 0.00 C ATOM 122 CG2 ILE A 9 -32.049 7.697 -9.587 1.00 0.00 C ATOM 123 CD1 ILE A 9 -30.096 8.973 -12.095 1.00 0.00 C ATOM 0 H ILE A 9 -33.397 6.332 -11.899 1.00 0.00 H new ATOM 0 HA ILE A 9 -34.294 8.487 -10.399 1.00 0.00 H new ATOM 0 HB ILE A 9 -32.092 9.517 -10.797 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -30.859 7.005 -11.682 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -31.743 7.867 -12.926 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -31.004 7.787 -9.290 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -32.684 8.127 -8.813 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -32.300 6.644 -9.719 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -29.393 8.612 -12.845 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -30.484 9.945 -12.399 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -29.586 9.069 -11.136 1.00 0.00 H new ATOM 135 N LEU A 10 -33.963 9.296 -13.607 1.00 0.00 N ATOM 136 CA LEU A 10 -34.407 10.317 -14.572 1.00 0.00 C ATOM 137 C LEU A 10 -35.923 10.608 -14.508 1.00 0.00 C ATOM 138 O LEU A 10 -36.359 11.759 -14.379 1.00 0.00 O ATOM 139 CB LEU A 10 -33.759 10.027 -15.943 1.00 0.00 C ATOM 140 CG LEU A 10 -34.462 9.902 -17.300 1.00 0.00 C ATOM 141 CD1 LEU A 10 -35.295 8.639 -17.422 1.00 0.00 C ATOM 142 CD2 LEU A 10 -35.216 11.146 -17.723 1.00 0.00 C ATOM 0 H LEU A 10 -33.470 8.509 -14.027 1.00 0.00 H new ATOM 0 HA LEU A 10 -34.036 11.305 -14.299 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -33.012 10.809 -16.078 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -33.219 9.089 -15.812 1.00 0.00 H new ATOM 0 HG LEU A 10 -33.652 9.805 -18.023 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -35.767 8.608 -18.404 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -34.653 7.767 -17.300 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -36.064 8.634 -16.649 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -35.684 10.976 -18.692 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -35.984 11.375 -16.984 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -34.523 11.984 -17.797 1.00 0.00 H new ATOM 154 N ASN A 11 -36.700 9.527 -14.466 1.00 0.00 N ATOM 155 CA ASN A 11 -38.128 9.476 -14.164 1.00 0.00 C ATOM 156 C ASN A 11 -38.478 10.305 -12.919 1.00 0.00 C ATOM 157 O ASN A 11 -39.271 11.239 -12.988 1.00 0.00 O ATOM 158 CB ASN A 11 -38.460 7.982 -13.970 1.00 0.00 C ATOM 159 CG ASN A 11 -39.721 7.697 -13.172 1.00 0.00 C ATOM 160 OD1 ASN A 11 -40.838 7.900 -13.622 1.00 0.00 O ATOM 161 ND2 ASN A 11 -39.572 7.216 -11.955 1.00 0.00 N ATOM 0 H ASN A 11 -36.321 8.599 -14.655 1.00 0.00 H new ATOM 0 HA ASN A 11 -38.719 9.911 -14.970 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -38.558 7.518 -14.951 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -37.618 7.501 -13.472 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -40.392 7.011 -11.384 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -38.637 7.048 -11.584 1.00 0.00 H new ATOM 168 N GLU A 12 -37.940 9.919 -11.764 1.00 0.00 N ATOM 169 CA GLU A 12 -38.079 10.613 -10.490 1.00 0.00 C ATOM 170 C GLU A 12 -37.632 12.089 -10.478 1.00 0.00 C ATOM 171 O GLU A 12 -38.328 12.940 -9.933 1.00 0.00 O ATOM 172 CB GLU A 12 -37.411 9.742 -9.425 1.00 0.00 C ATOM 173 CG GLU A 12 -37.485 10.315 -8.002 1.00 0.00 C ATOM 174 CD GLU A 12 -38.930 10.652 -7.553 1.00 0.00 C ATOM 175 OE1 GLU A 12 -39.880 9.889 -7.849 1.00 0.00 O ATOM 176 OE2 GLU A 12 -39.159 11.722 -6.941 1.00 0.00 O ATOM 0 H GLU A 12 -37.370 9.076 -11.690 1.00 0.00 H new ATOM 0 HA GLU A 12 -39.141 10.727 -10.270 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -37.878 8.757 -9.432 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -36.364 9.600 -9.693 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -37.053 9.597 -7.305 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -36.875 11.217 -7.948 1.00 0.00 H new ATOM 183 N LEU A 13 -36.457 12.415 -11.026 1.00 0.00 N ATOM 184 CA LEU A 13 -35.981 13.788 -11.239 1.00 0.00 C ATOM 185 C LEU A 13 -36.937 14.671 -12.066 1.00 0.00 C ATOM 186 O LEU A 13 -36.973 15.883 -11.844 1.00 0.00 O ATOM 187 CB LEU A 13 -34.522 13.806 -11.721 1.00 0.00 C ATOM 188 CG LEU A 13 -33.509 13.265 -10.681 1.00 0.00 C ATOM 189 CD1 LEU A 13 -32.163 13.898 -10.985 1.00 0.00 C ATOM 190 CD2 LEU A 13 -33.797 13.549 -9.202 1.00 0.00 C ATOM 0 H LEU A 13 -35.790 11.711 -11.343 1.00 0.00 H new ATOM 0 HA LEU A 13 -35.988 14.273 -10.263 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -34.444 13.213 -12.632 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -34.249 14.828 -11.982 1.00 0.00 H new ATOM 0 HG LEU A 13 -33.560 12.181 -10.787 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -31.422 13.539 -10.270 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -31.854 13.628 -11.995 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -32.245 14.982 -10.909 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -33.009 13.114 -8.588 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -33.832 14.626 -9.038 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -34.756 13.109 -8.927 1.00 0.00 H new ATOM 202 N ARG A 14 -37.726 14.073 -12.980 1.00 0.00 N ATOM 203 CA ARG A 14 -38.794 14.715 -13.790 1.00 0.00 C ATOM 204 C ARG A 14 -38.529 16.176 -14.240 1.00 0.00 C ATOM 205 O ARG A 14 -39.310 17.061 -13.883 1.00 0.00 O ATOM 206 CB ARG A 14 -40.177 14.515 -13.109 1.00 0.00 C ATOM 207 CG ARG A 14 -40.353 15.138 -11.705 1.00 0.00 C ATOM 208 CD ARG A 14 -41.689 14.771 -11.033 1.00 0.00 C ATOM 209 NE ARG A 14 -41.820 13.323 -10.752 1.00 0.00 N ATOM 210 CZ ARG A 14 -41.431 12.664 -9.668 1.00 0.00 C ATOM 211 NH1 ARG A 14 -40.906 13.248 -8.630 1.00 0.00 N ATOM 212 NH2 ARG A 14 -41.559 11.370 -9.602 1.00 0.00 N ATOM 0 H ARG A 14 -37.636 13.079 -13.188 1.00 0.00 H new ATOM 0 HA ARG A 14 -38.794 14.190 -14.745 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -40.943 14.930 -13.764 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -40.368 13.445 -13.033 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -39.532 14.812 -11.066 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -40.282 16.223 -11.786 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -41.784 15.326 -10.100 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -42.511 15.086 -11.676 1.00 0.00 H new ATOM 0 HE ARG A 14 -42.263 12.764 -11.481 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -40.777 14.260 -8.625 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -40.624 12.694 -7.821 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -41.960 10.857 -10.387 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -41.258 10.870 -8.766 1.00 0.00 H new ATOM 226 N PRO A 15 -37.464 16.474 -15.020 1.00 0.00 N ATOM 227 CA PRO A 15 -37.081 17.837 -15.461 1.00 0.00 C ATOM 228 C PRO A 15 -38.085 18.685 -16.301 1.00 0.00 C ATOM 229 O PRO A 15 -37.656 19.571 -17.044 1.00 0.00 O ATOM 230 CB PRO A 15 -35.785 17.633 -16.256 1.00 0.00 C ATOM 231 CG PRO A 15 -35.174 16.366 -15.680 1.00 0.00 C ATOM 232 CD PRO A 15 -36.423 15.531 -15.436 1.00 0.00 C ATOM 0 HA PRO A 15 -37.013 18.442 -14.557 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -35.987 17.526 -17.322 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -35.113 18.484 -16.143 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -34.486 15.886 -16.376 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -34.618 16.556 -14.762 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -36.718 14.997 -16.339 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -36.246 14.780 -14.666 1.00 0.00 H new ATOM 240 N GLY A 16 -39.398 18.418 -16.270 1.00 0.00 N ATOM 241 CA GLY A 16 -40.385 18.979 -17.212 1.00 0.00 C ATOM 242 C GLY A 16 -40.258 18.392 -18.626 1.00 0.00 C ATOM 243 O GLY A 16 -40.590 19.044 -19.620 1.00 0.00 O ATOM 0 H GLY A 16 -39.815 17.795 -15.578 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -41.390 18.790 -16.834 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -40.261 20.061 -17.260 1.00 0.00 H new ATOM 247 N LEU A 17 -39.703 17.178 -18.707 1.00 0.00 N ATOM 248 CA LEU A 17 -39.322 16.466 -19.926 1.00 0.00 C ATOM 249 C LEU A 17 -40.501 15.986 -20.797 1.00 0.00 C ATOM 250 O LEU A 17 -41.666 16.008 -20.383 1.00 0.00 O ATOM 251 CB LEU A 17 -38.368 15.323 -19.539 1.00 0.00 C ATOM 252 CG LEU A 17 -38.785 14.381 -18.399 1.00 0.00 C ATOM 253 CD1 LEU A 17 -40.121 13.675 -18.592 1.00 0.00 C ATOM 254 CD2 LEU A 17 -37.693 13.329 -18.297 1.00 0.00 C ATOM 0 H LEU A 17 -39.496 16.635 -17.869 1.00 0.00 H new ATOM 0 HA LEU A 17 -38.815 17.177 -20.578 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -38.200 14.715 -20.428 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -37.409 15.767 -19.270 1.00 0.00 H new ATOM 0 HG LEU A 17 -38.911 14.988 -17.502 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -40.322 13.035 -17.733 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -40.914 14.417 -18.685 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -40.084 13.068 -19.496 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -37.937 12.628 -17.499 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -37.617 12.791 -19.242 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -36.741 13.813 -18.077 1.00 0.00 H new ATOM 266 N LYS A 18 -40.173 15.483 -21.993 1.00 0.00 N ATOM 267 CA LYS A 18 -41.017 14.576 -22.791 1.00 0.00 C ATOM 268 C LYS A 18 -40.216 13.415 -23.371 1.00 0.00 C ATOM 269 O LYS A 18 -39.148 13.635 -23.942 1.00 0.00 O ATOM 270 CB LYS A 18 -41.786 15.303 -23.905 1.00 0.00 C ATOM 271 CG LYS A 18 -40.932 16.192 -24.834 1.00 0.00 C ATOM 272 CD LYS A 18 -41.757 16.975 -25.873 1.00 0.00 C ATOM 273 CE LYS A 18 -41.993 16.256 -27.213 1.00 0.00 C ATOM 274 NZ LYS A 18 -42.737 14.981 -27.073 1.00 0.00 N ATOM 0 H LYS A 18 -39.287 15.700 -22.449 1.00 0.00 H new ATOM 0 HA LYS A 18 -41.753 14.173 -22.096 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -42.298 14.558 -24.514 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -42.556 15.923 -23.446 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -40.365 16.898 -24.227 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -40.207 15.567 -25.355 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -42.726 17.216 -25.435 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -41.253 17.921 -26.072 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -42.544 16.919 -27.880 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -41.031 16.057 -27.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -43.183 14.738 -27.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -42.080 14.224 -26.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -43.471 15.086 -26.343 1.00 0.00 H new ATOM 288 N TYR A 19 -40.775 12.209 -23.270 1.00 0.00 N ATOM 289 CA TYR A 19 -40.248 10.981 -23.868 1.00 0.00 C ATOM 290 C TYR A 19 -41.070 10.587 -25.101 1.00 0.00 C ATOM 291 O TYR A 19 -42.304 10.612 -25.081 1.00 0.00 O ATOM 292 CB TYR A 19 -40.306 9.789 -22.905 1.00 0.00 C ATOM 293 CG TYR A 19 -39.740 9.957 -21.518 1.00 0.00 C ATOM 294 CD1 TYR A 19 -38.396 9.634 -21.260 1.00 0.00 C ATOM 295 CD2 TYR A 19 -40.597 10.314 -20.462 1.00 0.00 C ATOM 296 CE1 TYR A 19 -37.894 9.712 -19.954 1.00 0.00 C ATOM 297 CE2 TYR A 19 -40.109 10.350 -19.145 1.00 0.00 C ATOM 298 CZ TYR A 19 -38.758 10.049 -18.887 1.00 0.00 C ATOM 299 OH TYR A 19 -38.315 10.057 -17.606 1.00 0.00 O ATOM 0 H TYR A 19 -41.639 12.054 -22.750 1.00 0.00 H new ATOM 0 HA TYR A 19 -39.211 11.198 -24.126 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -41.351 9.495 -22.803 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -39.785 8.956 -23.377 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -37.750 9.326 -22.069 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -41.629 10.560 -20.663 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -36.849 9.515 -19.763 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -40.770 10.608 -18.331 1.00 0.00 H new ATOM 0 HH TYR A 19 -38.835 9.417 -17.076 1.00 0.00 H new ATOM 309 N ASP A 20 -40.380 10.208 -26.169 1.00 0.00 N ATOM 310 CA ASP A 20 -40.958 9.804 -27.455 1.00 0.00 C ATOM 311 C ASP A 20 -40.345 8.471 -27.908 1.00 0.00 C ATOM 312 O ASP A 20 -39.132 8.263 -27.808 1.00 0.00 O ATOM 313 CB ASP A 20 -40.732 10.903 -28.502 1.00 0.00 C ATOM 314 CG ASP A 20 -41.397 12.236 -28.128 1.00 0.00 C ATOM 315 OD1 ASP A 20 -40.859 12.987 -27.279 1.00 0.00 O ATOM 316 OD2 ASP A 20 -42.471 12.565 -28.687 1.00 0.00 O ATOM 0 H ASP A 20 -39.361 10.170 -26.168 1.00 0.00 H new ATOM 0 HA ASP A 20 -42.033 9.663 -27.340 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -39.661 11.061 -28.629 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -41.121 10.567 -29.463 1.00 0.00 H new ATOM 321 N PHE A 21 -41.191 7.551 -28.379 1.00 0.00 N ATOM 322 CA PHE A 21 -40.833 6.152 -28.637 1.00 0.00 C ATOM 323 C PHE A 21 -40.749 5.842 -30.137 1.00 0.00 C ATOM 324 O PHE A 21 -41.647 6.142 -30.929 1.00 0.00 O ATOM 325 CB PHE A 21 -41.821 5.254 -27.876 1.00 0.00 C ATOM 326 CG PHE A 21 -41.686 3.756 -28.101 1.00 0.00 C ATOM 327 CD1 PHE A 21 -40.424 3.130 -28.133 1.00 0.00 C ATOM 328 CD2 PHE A 21 -42.846 2.979 -28.280 1.00 0.00 C ATOM 329 CE1 PHE A 21 -40.326 1.751 -28.386 1.00 0.00 C ATOM 330 CE2 PHE A 21 -42.747 1.597 -28.524 1.00 0.00 C ATOM 331 CZ PHE A 21 -41.485 0.984 -28.594 1.00 0.00 C ATOM 0 H PHE A 21 -42.165 7.762 -28.597 1.00 0.00 H new ATOM 0 HA PHE A 21 -39.828 5.950 -28.267 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -41.709 5.451 -26.810 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -42.833 5.551 -28.151 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -39.530 3.711 -27.963 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -43.818 3.447 -28.230 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -39.355 1.279 -28.421 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -43.642 1.007 -28.658 1.00 0.00 H new ATOM 0 HZ PHE A 21 -41.406 -0.072 -28.807 1.00 0.00 H new ATOM 341 N LEU A 22 -39.612 5.250 -30.494 1.00 0.00 N ATOM 342 CA LEU A 22 -39.105 4.931 -31.816 1.00 0.00 C ATOM 343 C LEU A 22 -38.615 3.471 -31.762 1.00 0.00 C ATOM 344 O LEU A 22 -38.231 2.950 -30.717 1.00 0.00 O ATOM 345 CB LEU A 22 -37.939 5.871 -32.228 1.00 0.00 C ATOM 346 CG LEU A 22 -38.104 7.406 -32.214 1.00 0.00 C ATOM 347 CD1 LEU A 22 -38.099 8.026 -30.824 1.00 0.00 C ATOM 348 CD2 LEU A 22 -36.929 8.061 -32.948 1.00 0.00 C ATOM 0 H LEU A 22 -38.952 4.950 -29.777 1.00 0.00 H new ATOM 0 HA LEU A 22 -39.891 5.065 -32.560 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -37.096 5.636 -31.578 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -37.648 5.592 -33.241 1.00 0.00 H new ATOM 0 HG LEU A 22 -39.072 7.582 -32.683 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -38.220 9.106 -30.907 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -38.920 7.613 -30.238 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -37.153 7.804 -30.330 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -37.050 9.144 -32.935 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -35.996 7.794 -32.452 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -36.904 7.711 -33.980 1.00 0.00 H new ATOM 360 N SER A 23 -38.648 2.764 -32.878 1.00 0.00 N ATOM 361 CA SER A 23 -37.855 1.537 -33.051 1.00 0.00 C ATOM 362 C SER A 23 -37.139 1.560 -34.399 1.00 0.00 C ATOM 363 O SER A 23 -37.778 1.414 -35.440 1.00 0.00 O ATOM 364 CB SER A 23 -38.704 0.278 -32.810 1.00 0.00 C ATOM 365 OG SER A 23 -39.844 0.221 -33.653 1.00 0.00 O ATOM 0 H SER A 23 -39.216 3.012 -33.688 1.00 0.00 H new ATOM 0 HA SER A 23 -37.076 1.499 -32.289 1.00 0.00 H new ATOM 0 HB2 SER A 23 -38.090 -0.607 -32.975 1.00 0.00 H new ATOM 0 HB3 SER A 23 -39.025 0.254 -31.769 1.00 0.00 H new ATOM 0 HG SER A 23 -39.596 0.505 -34.558 1.00 0.00 H new ATOM 490 N PHE A 33 -34.833 -0.632 -30.283 1.00 0.00 N ATOM 491 CA PHE A 33 -35.927 0.212 -29.844 1.00 0.00 C ATOM 492 C PHE A 33 -35.277 1.451 -29.272 1.00 0.00 C ATOM 493 O PHE A 33 -34.401 1.399 -28.410 1.00 0.00 O ATOM 494 CB PHE A 33 -36.774 -0.443 -28.753 1.00 0.00 C ATOM 495 CG PHE A 33 -37.703 -1.586 -29.124 1.00 0.00 C ATOM 496 CD1 PHE A 33 -37.537 -2.382 -30.276 1.00 0.00 C ATOM 497 CD2 PHE A 33 -38.759 -1.870 -28.241 1.00 0.00 C ATOM 498 CE1 PHE A 33 -38.406 -3.460 -30.521 1.00 0.00 C ATOM 499 CE2 PHE A 33 -39.619 -2.952 -28.475 1.00 0.00 C ATOM 500 CZ PHE A 33 -39.442 -3.753 -29.616 1.00 0.00 C ATOM 0 HA PHE A 33 -36.595 0.414 -30.681 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -36.093 -0.809 -27.984 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -37.381 0.338 -28.295 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -36.741 -2.163 -30.972 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -38.910 -1.247 -27.372 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -38.278 -4.065 -31.407 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -40.416 -3.170 -27.780 1.00 0.00 H new ATOM 0 HZ PHE A 33 -40.099 -4.591 -29.797 1.00 0.00 H new ATOM 510 N VAL A 34 -35.653 2.571 -29.854 1.00 0.00 N ATOM 511 CA VAL A 34 -35.003 3.843 -29.625 1.00 0.00 C ATOM 512 C VAL A 34 -35.925 4.761 -28.830 1.00 0.00 C ATOM 513 O VAL A 34 -37.053 5.048 -29.217 1.00 0.00 O ATOM 514 CB VAL A 34 -34.571 4.397 -30.982 1.00 0.00 C ATOM 515 CG1 VAL A 34 -33.906 5.746 -30.853 1.00 0.00 C ATOM 516 CG2 VAL A 34 -33.503 3.512 -31.603 1.00 0.00 C ATOM 0 H VAL A 34 -36.432 2.623 -30.510 1.00 0.00 H new ATOM 0 HA VAL A 34 -34.106 3.744 -29.014 1.00 0.00 H new ATOM 0 HB VAL A 34 -35.481 4.451 -31.579 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -33.614 6.104 -31.840 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -34.602 6.453 -30.402 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -33.021 5.657 -30.224 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -33.207 3.922 -32.569 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -32.635 3.472 -30.945 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -33.899 2.506 -31.742 1.00 0.00 H new ATOM 526 N MET A 35 -35.433 5.248 -27.700 1.00 0.00 N ATOM 527 CA MET A 35 -36.135 6.264 -26.916 1.00 0.00 C ATOM 528 C MET A 35 -35.451 7.594 -27.119 1.00 0.00 C ATOM 529 O MET A 35 -34.250 7.728 -26.885 1.00 0.00 O ATOM 530 CB MET A 35 -36.163 5.899 -25.425 1.00 0.00 C ATOM 531 CG MET A 35 -37.201 4.819 -25.100 1.00 0.00 C ATOM 532 SD MET A 35 -38.914 5.164 -25.600 1.00 0.00 S ATOM 533 CE MET A 35 -39.174 6.824 -24.928 1.00 0.00 C ATOM 0 H MET A 35 -34.542 4.955 -27.299 1.00 0.00 H new ATOM 0 HA MET A 35 -37.169 6.322 -27.256 1.00 0.00 H new ATOM 0 HB2 MET A 35 -35.176 5.551 -25.122 1.00 0.00 H new ATOM 0 HB3 MET A 35 -36.380 6.793 -24.840 1.00 0.00 H new ATOM 0 HG2 MET A 35 -36.887 3.890 -25.576 1.00 0.00 H new ATOM 0 HG3 MET A 35 -37.188 4.646 -24.024 1.00 0.00 H new ATOM 0 HE1 MET A 35 -40.211 7.122 -25.085 1.00 0.00 H new ATOM 0 HE2 MET A 35 -38.954 6.823 -23.860 1.00 0.00 H new ATOM 0 HE3 MET A 35 -38.514 7.529 -25.434 1.00 0.00 H new ATOM 543 N SER A 36 -36.236 8.573 -27.553 1.00 0.00 N ATOM 544 CA SER A 36 -35.785 9.942 -27.727 1.00 0.00 C ATOM 545 C SER A 36 -36.459 10.837 -26.689 1.00 0.00 C ATOM 546 O SER A 36 -37.640 10.671 -26.385 1.00 0.00 O ATOM 547 CB SER A 36 -35.999 10.372 -29.175 1.00 0.00 C ATOM 548 OG SER A 36 -37.248 10.990 -29.400 1.00 0.00 O ATOM 0 H SER A 36 -37.217 8.433 -27.796 1.00 0.00 H new ATOM 0 HA SER A 36 -34.714 10.032 -27.547 1.00 0.00 H new ATOM 0 HB2 SER A 36 -35.205 11.061 -29.462 1.00 0.00 H new ATOM 0 HB3 SER A 36 -35.913 9.499 -29.822 1.00 0.00 H new ATOM 0 HG SER A 36 -37.323 11.243 -30.344 1.00 0.00 H new ATOM 554 N VAL A 37 -35.688 11.701 -26.039 1.00 0.00 N ATOM 555 CA VAL A 37 -36.162 12.527 -24.914 1.00 0.00 C ATOM 556 C VAL A 37 -35.686 13.968 -25.038 1.00 0.00 C ATOM 557 O VAL A 37 -34.503 14.192 -25.292 1.00 0.00 O ATOM 558 CB VAL A 37 -35.787 11.970 -23.524 1.00 0.00 C ATOM 559 CG1 VAL A 37 -36.831 12.314 -22.462 1.00 0.00 C ATOM 560 CG2 VAL A 37 -35.518 10.478 -23.436 1.00 0.00 C ATOM 0 H VAL A 37 -34.707 11.856 -26.273 1.00 0.00 H new ATOM 0 HA VAL A 37 -37.249 12.496 -24.983 1.00 0.00 H new ATOM 0 HB VAL A 37 -34.838 12.473 -23.337 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -36.523 11.901 -21.502 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -36.922 13.397 -22.379 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -37.794 11.890 -22.747 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -35.266 10.214 -22.409 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -36.408 9.929 -23.744 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -34.687 10.219 -24.092 1.00 0.00 H new ATOM 570 N VAL A 38 -36.572 14.934 -24.795 1.00 0.00 N ATOM 571 CA VAL A 38 -36.201 16.350 -24.592 1.00 0.00 C ATOM 572 C VAL A 38 -36.316 16.622 -23.093 1.00 0.00 C ATOM 573 O VAL A 38 -37.386 16.415 -22.518 1.00 0.00 O ATOM 574 CB VAL A 38 -37.130 17.310 -25.365 1.00 0.00 C ATOM 575 CG1 VAL A 38 -36.700 18.770 -25.165 1.00 0.00 C ATOM 576 CG2 VAL A 38 -37.140 17.040 -26.872 1.00 0.00 C ATOM 0 H VAL A 38 -37.576 14.763 -24.731 1.00 0.00 H new ATOM 0 HA VAL A 38 -35.191 16.522 -24.965 1.00 0.00 H new ATOM 0 HB VAL A 38 -38.128 17.136 -24.962 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -37.371 19.426 -25.720 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -36.743 19.020 -24.105 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -35.681 18.902 -25.528 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -37.810 17.745 -27.364 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -36.132 17.160 -27.270 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -37.485 16.023 -27.057 1.00 0.00 H new ATOM 586 N VAL A 39 -35.209 17.015 -22.448 1.00 0.00 N ATOM 587 CA VAL A 39 -35.068 16.904 -20.971 1.00 0.00 C ATOM 588 C VAL A 39 -34.515 18.154 -20.269 1.00 0.00 C ATOM 589 O VAL A 39 -34.398 18.172 -19.047 1.00 0.00 O ATOM 590 CB VAL A 39 -34.205 15.677 -20.588 1.00 0.00 C ATOM 591 CG1 VAL A 39 -34.798 14.354 -21.038 1.00 0.00 C ATOM 592 CG2 VAL A 39 -32.813 15.811 -21.184 1.00 0.00 C ATOM 0 H VAL A 39 -34.394 17.413 -22.915 1.00 0.00 H new ATOM 0 HA VAL A 39 -36.090 16.785 -20.612 1.00 0.00 H new ATOM 0 HB VAL A 39 -34.167 15.666 -19.499 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -34.140 13.539 -20.736 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -35.777 14.219 -20.579 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -34.903 14.352 -22.123 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -32.214 14.943 -20.909 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -32.886 15.872 -22.270 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -32.339 16.715 -20.801 1.00 0.00 H new ATOM 602 N ASP A 40 -34.152 19.196 -21.016 1.00 0.00 N ATOM 603 CA ASP A 40 -33.494 20.404 -20.470 1.00 0.00 C ATOM 604 C ASP A 40 -33.691 21.680 -21.318 1.00 0.00 C ATOM 605 O ASP A 40 -33.484 22.797 -20.838 1.00 0.00 O ATOM 606 CB ASP A 40 -31.988 20.085 -20.361 1.00 0.00 C ATOM 607 CG ASP A 40 -31.150 21.273 -19.853 1.00 0.00 C ATOM 608 OD1 ASP A 40 -31.158 21.535 -18.626 1.00 0.00 O ATOM 609 OD2 ASP A 40 -30.481 21.929 -20.689 1.00 0.00 O ATOM 0 H ASP A 40 -34.303 19.236 -22.024 1.00 0.00 H new ATOM 0 HA ASP A 40 -33.953 20.628 -19.507 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -31.851 19.238 -19.689 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -31.617 19.779 -21.339 1.00 0.00 H new ATOM 614 N GLY A 41 -34.041 21.518 -22.597 1.00 0.00 N ATOM 615 CA GLY A 41 -33.548 22.372 -23.685 1.00 0.00 C ATOM 616 C GLY A 41 -32.587 21.595 -24.600 1.00 0.00 C ATOM 617 O GLY A 41 -32.387 21.973 -25.755 1.00 0.00 O ATOM 0 H GLY A 41 -34.679 20.786 -22.910 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -34.389 22.746 -24.268 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -33.038 23.240 -23.268 1.00 0.00 H new ATOM 621 N GLN A 42 -32.053 20.466 -24.104 1.00 0.00 N ATOM 622 CA GLN A 42 -31.284 19.479 -24.864 1.00 0.00 C ATOM 623 C GLN A 42 -32.127 18.220 -25.137 1.00 0.00 C ATOM 624 O GLN A 42 -33.125 17.945 -24.455 1.00 0.00 O ATOM 625 CB GLN A 42 -29.994 19.061 -24.125 1.00 0.00 C ATOM 626 CG GLN A 42 -29.173 20.136 -23.391 1.00 0.00 C ATOM 627 CD GLN A 42 -29.131 21.508 -24.062 1.00 0.00 C ATOM 628 OE1 GLN A 42 -28.730 21.668 -25.208 1.00 0.00 O ATOM 629 NE2 GLN A 42 -29.542 22.546 -23.363 1.00 0.00 N ATOM 0 H GLN A 42 -32.152 20.210 -23.122 1.00 0.00 H new ATOM 0 HA GLN A 42 -31.011 19.955 -25.806 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -30.265 18.299 -23.395 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -29.337 18.585 -24.853 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -29.579 20.255 -22.387 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -28.151 19.774 -23.280 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -29.877 22.418 -22.408 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -29.525 23.478 -23.777 1.00 0.00 H new ATOM 638 N PHE A 43 -31.669 17.437 -26.115 1.00 0.00 N ATOM 639 CA PHE A 43 -32.332 16.254 -26.656 1.00 0.00 C ATOM 640 C PHE A 43 -31.344 15.084 -26.790 1.00 0.00 C ATOM 641 O PHE A 43 -30.193 15.275 -27.196 1.00 0.00 O ATOM 642 CB PHE A 43 -32.940 16.634 -28.014 1.00 0.00 C ATOM 643 CG PHE A 43 -33.403 15.468 -28.870 1.00 0.00 C ATOM 644 CD1 PHE A 43 -34.641 14.847 -28.623 1.00 0.00 C ATOM 645 CD2 PHE A 43 -32.593 15.012 -29.927 1.00 0.00 C ATOM 646 CE1 PHE A 43 -35.084 13.803 -29.451 1.00 0.00 C ATOM 647 CE2 PHE A 43 -33.028 13.955 -30.746 1.00 0.00 C ATOM 648 CZ PHE A 43 -34.280 13.358 -30.515 1.00 0.00 C ATOM 0 H PHE A 43 -30.777 17.623 -26.574 1.00 0.00 H new ATOM 0 HA PHE A 43 -33.120 15.921 -25.981 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -33.789 17.295 -27.841 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -32.201 17.205 -28.577 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -35.252 15.174 -27.795 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -31.635 15.475 -30.109 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -36.043 13.341 -29.270 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -32.401 13.602 -31.552 1.00 0.00 H new ATOM 0 HZ PHE A 43 -34.624 12.558 -31.154 1.00 0.00 H new ATOM 658 N PHE A 44 -31.805 13.873 -26.463 1.00 0.00 N ATOM 659 CA PHE A 44 -31.006 12.641 -26.448 1.00 0.00 C ATOM 660 C PHE A 44 -31.752 11.479 -27.111 1.00 0.00 C ATOM 661 O PHE A 44 -32.979 11.480 -27.192 1.00 0.00 O ATOM 662 CB PHE A 44 -30.623 12.289 -24.997 1.00 0.00 C ATOM 663 CG PHE A 44 -29.931 13.427 -24.273 1.00 0.00 C ATOM 664 CD1 PHE A 44 -28.551 13.651 -24.448 1.00 0.00 C ATOM 665 CD2 PHE A 44 -30.695 14.329 -23.511 1.00 0.00 C ATOM 666 CE1 PHE A 44 -27.947 14.788 -23.882 1.00 0.00 C ATOM 667 CE2 PHE A 44 -30.087 15.466 -22.955 1.00 0.00 C ATOM 668 CZ PHE A 44 -28.723 15.701 -23.148 1.00 0.00 C ATOM 0 H PHE A 44 -32.776 13.717 -26.192 1.00 0.00 H new ATOM 0 HA PHE A 44 -30.098 12.813 -27.026 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -31.522 12.010 -24.448 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -29.968 11.417 -25.001 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -27.958 12.950 -25.016 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -31.748 14.147 -23.354 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -26.889 14.959 -24.011 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -30.676 16.162 -22.376 1.00 0.00 H new ATOM 0 HZ PHE A 44 -28.264 16.586 -22.732 1.00 0.00 H new ATOM 678 N GLU A 45 -31.003 10.459 -27.532 1.00 0.00 N ATOM 679 CA GLU A 45 -31.491 9.208 -28.130 1.00 0.00 C ATOM 680 C GLU A 45 -30.740 8.021 -27.513 1.00 0.00 C ATOM 681 O GLU A 45 -29.514 8.047 -27.370 1.00 0.00 O ATOM 682 CB GLU A 45 -31.308 9.220 -29.656 1.00 0.00 C ATOM 683 CG GLU A 45 -32.309 10.137 -30.369 1.00 0.00 C ATOM 684 CD GLU A 45 -32.125 10.084 -31.899 1.00 0.00 C ATOM 685 OE1 GLU A 45 -32.429 9.035 -32.516 1.00 0.00 O ATOM 686 OE2 GLU A 45 -31.677 11.091 -32.501 1.00 0.00 O ATOM 0 H GLU A 45 -29.986 10.481 -27.463 1.00 0.00 H new ATOM 0 HA GLU A 45 -32.557 9.112 -27.922 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -30.294 9.543 -29.893 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -31.417 8.205 -30.038 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -33.326 9.839 -30.112 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -32.179 11.162 -30.020 1.00 0.00 H new ATOM 693 N GLY A 46 -31.486 6.978 -27.151 1.00 0.00 N ATOM 694 CA GLY A 46 -30.987 5.778 -26.484 1.00 0.00 C ATOM 695 C GLY A 46 -31.505 4.514 -27.157 1.00 0.00 C ATOM 696 O GLY A 46 -32.716 4.315 -27.227 1.00 0.00 O ATOM 0 H GLY A 46 -32.491 6.945 -27.321 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -29.897 5.779 -26.497 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -31.293 5.787 -25.438 1.00 0.00 H new ATOM 700 N SER A 47 -30.602 3.662 -27.643 1.00 0.00 N ATOM 701 CA SER A 47 -30.923 2.465 -28.434 1.00 0.00 C ATOM 702 C SER A 47 -30.766 1.182 -27.610 1.00 0.00 C ATOM 703 O SER A 47 -29.673 0.802 -27.186 1.00 0.00 O ATOM 704 CB SER A 47 -30.092 2.440 -29.720 1.00 0.00 C ATOM 705 OG SER A 47 -28.712 2.701 -29.501 1.00 0.00 O ATOM 0 H SER A 47 -29.600 3.785 -27.496 1.00 0.00 H new ATOM 0 HA SER A 47 -31.973 2.513 -28.721 1.00 0.00 H new ATOM 0 HB2 SER A 47 -30.200 1.465 -30.195 1.00 0.00 H new ATOM 0 HB3 SER A 47 -30.489 3.179 -30.416 1.00 0.00 H new ATOM 0 HG SER A 47 -28.234 2.670 -30.356 1.00 0.00 H new ATOM 711 N GLY A 48 -31.900 0.553 -27.315 1.00 0.00 N ATOM 712 CA GLY A 48 -32.048 -0.544 -26.358 1.00 0.00 C ATOM 713 C GLY A 48 -32.910 -1.703 -26.853 1.00 0.00 C ATOM 714 O GLY A 48 -33.728 -1.539 -27.757 1.00 0.00 O ATOM 0 H GLY A 48 -32.784 0.805 -27.757 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -31.059 -0.925 -26.106 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -32.482 -0.151 -25.439 1.00 0.00 H new ATOM 718 N ARG A 49 -32.702 -2.904 -26.299 1.00 0.00 N ATOM 719 CA ARG A 49 -33.538 -4.081 -26.599 1.00 0.00 C ATOM 720 C ARG A 49 -35.045 -3.835 -26.353 1.00 0.00 C ATOM 721 O ARG A 49 -35.871 -4.246 -27.169 1.00 0.00 O ATOM 722 CB ARG A 49 -32.959 -5.310 -25.862 1.00 0.00 C ATOM 723 CG ARG A 49 -33.564 -6.692 -26.194 1.00 0.00 C ATOM 724 CD ARG A 49 -33.522 -7.082 -27.681 1.00 0.00 C ATOM 725 NE ARG A 49 -34.597 -6.406 -28.424 1.00 0.00 N ATOM 726 CZ ARG A 49 -34.617 -6.033 -29.685 1.00 0.00 C ATOM 727 NH1 ARG A 49 -33.744 -6.438 -30.560 1.00 0.00 N ATOM 728 NH2 ARG A 49 -35.535 -5.201 -30.063 1.00 0.00 N ATOM 0 H ARG A 49 -31.953 -3.091 -25.632 1.00 0.00 H new ATOM 0 HA ARG A 49 -33.496 -4.288 -27.668 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -31.890 -5.353 -26.068 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -33.070 -5.143 -24.791 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -33.033 -7.451 -25.620 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -34.601 -6.707 -25.859 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -32.555 -6.814 -28.106 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -33.626 -8.162 -27.782 1.00 0.00 H new ATOM 0 HE ARG A 49 -35.440 -6.199 -27.889 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -32.999 -7.075 -30.280 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -33.805 -6.118 -31.527 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -36.217 -4.853 -29.389 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -35.576 -4.893 -31.035 1.00 0.00 H new ATOM 742 N ASN A 50 -35.397 -3.106 -25.291 1.00 0.00 N ATOM 743 CA ASN A 50 -36.689 -2.414 -25.108 1.00 0.00 C ATOM 744 C ASN A 50 -36.477 -1.167 -24.209 1.00 0.00 C ATOM 745 O ASN A 50 -35.347 -0.918 -23.792 1.00 0.00 O ATOM 746 CB ASN A 50 -37.732 -3.419 -24.555 1.00 0.00 C ATOM 747 CG ASN A 50 -39.191 -3.034 -24.795 1.00 0.00 C ATOM 748 OD1 ASN A 50 -39.548 -1.884 -25.027 1.00 0.00 O ATOM 749 ND2 ASN A 50 -40.096 -3.981 -24.748 1.00 0.00 N ATOM 0 H ASN A 50 -34.768 -2.972 -24.499 1.00 0.00 H new ATOM 0 HA ASN A 50 -37.084 -2.049 -26.056 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -37.550 -4.394 -25.007 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -37.573 -3.531 -23.482 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -41.079 -3.756 -24.903 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -39.818 -4.943 -24.556 1.00 0.00 H new ATOM 756 N LYS A 51 -37.523 -0.403 -23.858 1.00 0.00 N ATOM 757 CA LYS A 51 -37.526 0.771 -22.942 1.00 0.00 C ATOM 758 C LYS A 51 -36.727 0.588 -21.651 1.00 0.00 C ATOM 759 O LYS A 51 -36.034 1.515 -21.250 1.00 0.00 O ATOM 760 CB LYS A 51 -38.979 1.180 -22.650 1.00 0.00 C ATOM 761 CG LYS A 51 -39.533 1.975 -23.846 1.00 0.00 C ATOM 762 CD LYS A 51 -41.059 2.145 -23.863 1.00 0.00 C ATOM 763 CE LYS A 51 -41.862 0.854 -24.098 1.00 0.00 C ATOM 764 NZ LYS A 51 -41.554 0.202 -25.400 1.00 0.00 N ATOM 0 H LYS A 51 -38.455 -0.593 -24.225 1.00 0.00 H new ATOM 0 HA LYS A 51 -37.002 1.571 -23.464 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -39.590 0.295 -22.473 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -39.024 1.785 -21.744 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -39.073 2.963 -23.850 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -39.228 1.477 -24.766 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -41.370 2.579 -22.913 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -41.319 2.862 -24.641 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -41.655 0.153 -23.290 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -42.927 1.083 -24.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -42.400 -0.291 -25.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -41.264 0.924 -26.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -40.782 -0.483 -25.271 1.00 0.00 H new ATOM 778 N LYS A 52 -36.707 -0.619 -21.080 1.00 0.00 N ATOM 779 CA LYS A 52 -35.815 -1.037 -19.974 1.00 0.00 C ATOM 780 C LYS A 52 -34.335 -0.657 -20.137 1.00 0.00 C ATOM 781 O LYS A 52 -33.639 -0.423 -19.151 1.00 0.00 O ATOM 782 CB LYS A 52 -35.966 -2.557 -19.792 1.00 0.00 C ATOM 783 CG LYS A 52 -35.376 -3.342 -20.984 1.00 0.00 C ATOM 784 CD LYS A 52 -35.800 -4.806 -20.961 1.00 0.00 C ATOM 785 CE LYS A 52 -35.151 -5.570 -22.123 1.00 0.00 C ATOM 786 NZ LYS A 52 -35.422 -7.029 -22.025 1.00 0.00 N ATOM 0 H LYS A 52 -37.332 -1.367 -21.380 1.00 0.00 H new ATOM 0 HA LYS A 52 -36.131 -0.485 -19.089 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -35.467 -2.864 -18.873 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -37.021 -2.806 -19.680 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -35.701 -2.884 -21.918 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -34.288 -3.278 -20.959 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -35.511 -5.260 -20.013 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -36.885 -4.878 -21.031 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -35.533 -5.189 -23.070 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -34.075 -5.396 -22.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -34.971 -7.520 -22.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -35.036 -7.395 -21.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -36.448 -7.194 -22.052 1.00 0.00 H new ATOM 800 N LEU A 53 -33.883 -0.583 -21.389 1.00 0.00 N ATOM 801 CA LEU A 53 -32.520 -0.286 -21.819 1.00 0.00 C ATOM 802 C LEU A 53 -32.477 0.960 -22.722 1.00 0.00 C ATOM 803 O LEU A 53 -31.597 1.798 -22.561 1.00 0.00 O ATOM 804 CB LEU A 53 -31.978 -1.567 -22.491 1.00 0.00 C ATOM 805 CG LEU A 53 -30.551 -1.494 -23.065 1.00 0.00 C ATOM 806 CD1 LEU A 53 -29.536 -0.966 -22.051 1.00 0.00 C ATOM 807 CD2 LEU A 53 -30.095 -2.891 -23.490 1.00 0.00 C ATOM 0 H LEU A 53 -34.504 -0.740 -22.183 1.00 0.00 H new ATOM 0 HA LEU A 53 -31.878 -0.027 -20.977 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -32.010 -2.375 -21.760 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -32.656 -1.841 -23.299 1.00 0.00 H new ATOM 0 HG LEU A 53 -30.590 -0.808 -23.911 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -28.547 -0.935 -22.508 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -29.823 0.038 -21.738 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -29.514 -1.624 -21.182 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -29.085 -2.836 -23.896 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -30.103 -3.555 -22.626 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -30.772 -3.278 -24.252 1.00 0.00 H new ATOM 819 N ALA A 54 -33.431 1.133 -23.638 1.00 0.00 N ATOM 820 CA ALA A 54 -33.593 2.332 -24.463 1.00 0.00 C ATOM 821 C ALA A 54 -33.719 3.620 -23.622 1.00 0.00 C ATOM 822 O ALA A 54 -32.951 4.569 -23.808 1.00 0.00 O ATOM 823 CB ALA A 54 -34.765 2.098 -25.424 1.00 0.00 C ATOM 0 H ALA A 54 -34.134 0.420 -23.833 1.00 0.00 H new ATOM 0 HA ALA A 54 -32.692 2.500 -25.053 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -34.904 2.980 -26.049 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -34.551 1.235 -26.055 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -35.674 1.912 -24.851 1.00 0.00 H new ATOM 829 N LYS A 55 -34.643 3.631 -22.642 1.00 0.00 N ATOM 830 CA LYS A 55 -34.685 4.650 -21.581 1.00 0.00 C ATOM 831 C LYS A 55 -33.352 4.722 -20.844 1.00 0.00 C ATOM 832 O LYS A 55 -32.866 5.821 -20.675 1.00 0.00 O ATOM 833 CB LYS A 55 -35.848 4.432 -20.588 1.00 0.00 C ATOM 834 CG LYS A 55 -36.191 5.724 -19.829 1.00 0.00 C ATOM 835 CD LYS A 55 -37.693 6.040 -19.764 1.00 0.00 C ATOM 836 CE LYS A 55 -38.349 6.225 -21.137 1.00 0.00 C ATOM 837 NZ LYS A 55 -39.769 6.650 -20.979 1.00 0.00 N ATOM 0 H LYS A 55 -35.381 2.932 -22.566 1.00 0.00 H new ATOM 0 HA LYS A 55 -34.867 5.605 -22.073 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -36.728 4.082 -21.128 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -35.579 3.651 -19.876 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -35.803 5.648 -18.813 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -35.676 6.559 -20.305 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -38.201 5.234 -19.235 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -37.838 6.947 -19.178 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -37.801 6.971 -21.712 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -38.302 5.292 -21.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -40.355 6.175 -21.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -40.105 6.391 -20.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -39.839 7.680 -21.102 1.00 0.00 H new ATOM 851 N ALA A 56 -32.753 3.605 -20.414 1.00 0.00 N ATOM 852 CA ALA A 56 -31.507 3.602 -19.640 1.00 0.00 C ATOM 853 C ALA A 56 -30.371 4.353 -20.345 1.00 0.00 C ATOM 854 O ALA A 56 -29.762 5.212 -19.732 1.00 0.00 O ATOM 855 CB ALA A 56 -31.102 2.170 -19.274 1.00 0.00 C ATOM 0 H ALA A 56 -33.122 2.672 -20.595 1.00 0.00 H new ATOM 0 HA ALA A 56 -31.699 4.148 -18.716 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -30.175 2.189 -18.700 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -31.889 1.711 -18.676 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -30.953 1.590 -20.185 1.00 0.00 H new ATOM 861 N ARG A 57 -30.134 4.069 -21.628 1.00 0.00 N ATOM 862 CA ARG A 57 -29.260 4.769 -22.583 1.00 0.00 C ATOM 863 C ARG A 57 -29.579 6.261 -22.715 1.00 0.00 C ATOM 864 O ARG A 57 -28.707 7.097 -22.476 1.00 0.00 O ATOM 865 CB ARG A 57 -29.410 4.070 -23.950 1.00 0.00 C ATOM 866 CG ARG A 57 -28.839 2.646 -24.033 1.00 0.00 C ATOM 867 CD ARG A 57 -27.309 2.580 -24.009 1.00 0.00 C ATOM 868 NE ARG A 57 -26.650 3.470 -24.999 1.00 0.00 N ATOM 869 CZ ARG A 57 -26.760 3.451 -26.318 1.00 0.00 C ATOM 870 NH1 ARG A 57 -27.456 2.555 -26.951 1.00 0.00 N ATOM 871 NH2 ARG A 57 -26.188 4.359 -27.053 1.00 0.00 N ATOM 0 H ARG A 57 -30.589 3.270 -22.069 1.00 0.00 H new ATOM 0 HA ARG A 57 -28.235 4.717 -22.215 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -30.469 4.033 -24.205 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -28.921 4.683 -24.707 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -29.230 2.061 -23.200 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -29.197 2.176 -24.949 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -26.960 2.843 -23.010 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -26.997 1.552 -24.195 1.00 0.00 H new ATOM 0 HE ARG A 57 -26.035 4.187 -24.614 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -27.946 1.828 -26.430 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -27.513 2.579 -27.969 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -25.644 5.102 -26.614 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -26.284 4.328 -28.068 1.00 0.00 H new ATOM 885 N ALA A 58 -30.805 6.602 -23.124 1.00 0.00 N ATOM 886 CA ALA A 58 -31.253 7.992 -23.262 1.00 0.00 C ATOM 887 C ALA A 58 -31.083 8.798 -21.961 1.00 0.00 C ATOM 888 O ALA A 58 -30.488 9.876 -21.943 1.00 0.00 O ATOM 889 CB ALA A 58 -32.701 8.002 -23.754 1.00 0.00 C ATOM 0 H ALA A 58 -31.519 5.917 -23.370 1.00 0.00 H new ATOM 0 HA ALA A 58 -30.620 8.489 -23.997 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -33.042 9.032 -23.859 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -32.761 7.499 -24.719 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -33.333 7.482 -23.034 1.00 0.00 H new ATOM 895 N ALA A 59 -31.567 8.217 -20.863 1.00 0.00 N ATOM 896 CA ALA A 59 -31.387 8.667 -19.491 1.00 0.00 C ATOM 897 C ALA A 59 -29.914 8.831 -19.129 1.00 0.00 C ATOM 898 O ALA A 59 -29.545 9.887 -18.657 1.00 0.00 O ATOM 899 CB ALA A 59 -32.062 7.680 -18.531 1.00 0.00 C ATOM 0 H ALA A 59 -32.129 7.368 -20.916 1.00 0.00 H new ATOM 0 HA ALA A 59 -31.853 9.648 -19.399 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -31.925 8.020 -17.504 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -33.127 7.624 -18.756 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -31.614 6.693 -18.649 1.00 0.00 H new ATOM 905 N GLN A 60 -29.062 7.835 -19.356 1.00 0.00 N ATOM 906 CA GLN A 60 -27.622 7.869 -19.080 1.00 0.00 C ATOM 907 C GLN A 60 -26.936 9.059 -19.764 1.00 0.00 C ATOM 908 O GLN A 60 -26.198 9.803 -19.116 1.00 0.00 O ATOM 909 CB GLN A 60 -27.013 6.518 -19.517 1.00 0.00 C ATOM 910 CG GLN A 60 -26.966 5.490 -18.376 1.00 0.00 C ATOM 911 CD GLN A 60 -25.820 5.753 -17.404 1.00 0.00 C ATOM 912 OE1 GLN A 60 -25.899 6.597 -16.522 1.00 0.00 O ATOM 913 NE2 GLN A 60 -24.706 5.062 -17.524 1.00 0.00 N ATOM 0 H GLN A 60 -29.364 6.945 -19.753 1.00 0.00 H new ATOM 0 HA GLN A 60 -27.458 8.011 -18.012 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -27.597 6.111 -20.343 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -26.003 6.684 -19.892 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -27.911 5.510 -17.833 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -26.861 4.490 -18.796 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -24.621 4.354 -18.253 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -23.928 5.235 -16.888 1.00 0.00 H new ATOM 922 N SER A 61 -27.220 9.268 -21.053 1.00 0.00 N ATOM 923 CA SER A 61 -26.810 10.459 -21.817 1.00 0.00 C ATOM 924 C SER A 61 -27.271 11.773 -21.164 1.00 0.00 C ATOM 925 O SER A 61 -26.457 12.654 -20.855 1.00 0.00 O ATOM 926 CB SER A 61 -27.310 10.370 -23.268 1.00 0.00 C ATOM 927 OG SER A 61 -26.957 9.135 -23.875 1.00 0.00 O ATOM 0 H SER A 61 -27.753 8.601 -21.611 1.00 0.00 H new ATOM 0 HA SER A 61 -25.720 10.473 -21.816 1.00 0.00 H new ATOM 0 HB2 SER A 61 -28.394 10.487 -23.286 1.00 0.00 H new ATOM 0 HB3 SER A 61 -26.891 11.192 -23.848 1.00 0.00 H new ATOM 0 HG SER A 61 -27.558 8.430 -23.556 1.00 0.00 H new ATOM 933 N ALA A 62 -28.582 11.882 -20.914 1.00 0.00 N ATOM 934 CA ALA A 62 -29.214 13.019 -20.249 1.00 0.00 C ATOM 935 C ALA A 62 -28.588 13.315 -18.879 1.00 0.00 C ATOM 936 O ALA A 62 -28.062 14.402 -18.678 1.00 0.00 O ATOM 937 CB ALA A 62 -30.717 12.738 -20.140 1.00 0.00 C ATOM 0 H ALA A 62 -29.249 11.157 -21.179 1.00 0.00 H new ATOM 0 HA ALA A 62 -29.050 13.918 -20.843 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -31.209 13.576 -19.646 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -31.136 12.608 -21.138 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -30.876 11.830 -19.559 1.00 0.00 H new ATOM 943 N LEU A 63 -28.594 12.337 -17.971 1.00 0.00 N ATOM 944 CA LEU A 63 -28.011 12.340 -16.629 1.00 0.00 C ATOM 945 C LEU A 63 -26.575 12.835 -16.644 1.00 0.00 C ATOM 946 O LEU A 63 -26.270 13.792 -15.946 1.00 0.00 O ATOM 947 CB LEU A 63 -28.052 10.911 -16.040 1.00 0.00 C ATOM 948 CG LEU A 63 -29.308 10.493 -15.255 1.00 0.00 C ATOM 949 CD1 LEU A 63 -30.583 11.273 -15.544 1.00 0.00 C ATOM 950 CD2 LEU A 63 -29.610 9.000 -15.413 1.00 0.00 C ATOM 0 H LEU A 63 -29.046 11.446 -18.174 1.00 0.00 H new ATOM 0 HA LEU A 63 -28.599 13.019 -16.012 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -27.921 10.207 -16.861 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -27.192 10.796 -15.381 1.00 0.00 H new ATOM 0 HG LEU A 63 -29.029 10.737 -14.230 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -31.395 10.884 -14.929 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -30.425 12.326 -15.313 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -30.843 11.168 -16.597 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -30.504 8.747 -14.843 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -29.774 8.771 -16.466 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -28.767 8.417 -15.043 1.00 0.00 H new ATOM 962 N ALA A 64 -25.700 12.227 -17.448 1.00 0.00 N ATOM 963 CA ALA A 64 -24.320 12.681 -17.569 1.00 0.00 C ATOM 964 C ALA A 64 -24.263 14.175 -17.941 1.00 0.00 C ATOM 965 O ALA A 64 -23.599 14.952 -17.249 1.00 0.00 O ATOM 966 CB ALA A 64 -23.602 11.778 -18.575 1.00 0.00 C ATOM 0 H ALA A 64 -25.927 11.417 -18.025 1.00 0.00 H new ATOM 0 HA ALA A 64 -23.803 12.601 -16.613 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -22.566 12.102 -18.680 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -23.626 10.747 -18.221 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -24.102 11.841 -19.542 1.00 0.00 H new ATOM 972 N THR A 65 -25.003 14.593 -18.976 1.00 0.00 N ATOM 973 CA THR A 65 -25.171 16.013 -19.345 1.00 0.00 C ATOM 974 C THR A 65 -25.701 16.906 -18.204 1.00 0.00 C ATOM 975 O THR A 65 -24.961 17.717 -17.641 1.00 0.00 O ATOM 976 CB THR A 65 -26.014 16.164 -20.627 1.00 0.00 C ATOM 977 OG1 THR A 65 -25.491 15.353 -21.660 1.00 0.00 O ATOM 978 CG2 THR A 65 -25.994 17.606 -21.137 1.00 0.00 C ATOM 0 H THR A 65 -25.508 13.953 -19.589 1.00 0.00 H new ATOM 0 HA THR A 65 -24.166 16.382 -19.549 1.00 0.00 H new ATOM 0 HB THR A 65 -27.032 15.867 -20.372 1.00 0.00 H new ATOM 0 HG1 THR A 65 -25.759 14.422 -21.512 1.00 0.00 H new ATOM 0 HG21 THR A 65 -26.597 17.680 -22.042 1.00 0.00 H new ATOM 0 HG22 THR A 65 -26.402 18.268 -20.373 1.00 0.00 H new ATOM 0 HG23 THR A 65 -24.968 17.899 -21.360 1.00 0.00 H new ATOM 986 N VAL A 66 -26.995 16.818 -17.871 1.00 0.00 N ATOM 987 CA VAL A 66 -27.629 17.654 -16.838 1.00 0.00 C ATOM 988 C VAL A 66 -26.959 17.589 -15.465 1.00 0.00 C ATOM 989 O VAL A 66 -26.909 18.599 -14.773 1.00 0.00 O ATOM 990 CB VAL A 66 -29.162 17.498 -16.738 1.00 0.00 C ATOM 991 CG1 VAL A 66 -29.838 17.855 -18.068 1.00 0.00 C ATOM 992 CG2 VAL A 66 -29.666 16.116 -16.314 1.00 0.00 C ATOM 0 H VAL A 66 -27.638 16.161 -18.313 1.00 0.00 H new ATOM 0 HA VAL A 66 -27.453 18.664 -17.209 1.00 0.00 H new ATOM 0 HB VAL A 66 -29.433 18.190 -15.941 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -30.917 17.737 -17.971 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -29.608 18.888 -18.327 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -29.470 17.194 -18.852 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -30.755 16.122 -16.277 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -29.331 15.370 -17.034 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -29.271 15.871 -15.328 1.00 0.00 H new ATOM 1002 N PHE A 67 -26.462 16.435 -15.019 1.00 0.00 N ATOM 1003 CA PHE A 67 -25.650 16.357 -13.800 1.00 0.00 C ATOM 1004 C PHE A 67 -24.264 17.020 -13.902 1.00 0.00 C ATOM 1005 O PHE A 67 -23.791 17.589 -12.920 1.00 0.00 O ATOM 1006 CB PHE A 67 -25.626 14.956 -13.193 1.00 0.00 C ATOM 1007 CG PHE A 67 -26.982 14.295 -12.923 1.00 0.00 C ATOM 1008 CD1 PHE A 67 -28.209 14.994 -13.008 1.00 0.00 C ATOM 1009 CD2 PHE A 67 -27.013 12.930 -12.585 1.00 0.00 C ATOM 1010 CE1 PHE A 67 -29.430 14.322 -12.866 1.00 0.00 C ATOM 1011 CE2 PHE A 67 -28.239 12.270 -12.378 1.00 0.00 C ATOM 1012 CZ PHE A 67 -29.455 12.954 -12.551 1.00 0.00 C ATOM 0 H PHE A 67 -26.607 15.538 -15.483 1.00 0.00 H new ATOM 0 HA PHE A 67 -26.173 16.984 -13.078 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -25.059 14.307 -13.860 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -25.078 15.003 -12.252 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -28.204 16.059 -13.185 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -26.087 12.383 -12.483 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -30.357 14.859 -13.000 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -28.246 11.231 -12.084 1.00 0.00 H new ATOM 0 HZ PHE A 67 -30.396 12.434 -12.443 1.00 0.00 H new ATOM 1022 N ASN A 68 -23.591 17.006 -15.061 1.00 0.00 N ATOM 1023 CA ASN A 68 -22.514 17.976 -15.320 1.00 0.00 C ATOM 1024 C ASN A 68 -22.967 19.441 -15.163 1.00 0.00 C ATOM 1025 O ASN A 68 -22.185 20.259 -14.668 1.00 0.00 O ATOM 1026 CB ASN A 68 -21.832 17.711 -16.675 1.00 0.00 C ATOM 1027 CG ASN A 68 -20.652 16.764 -16.538 1.00 0.00 C ATOM 1028 OD1 ASN A 68 -19.521 17.168 -16.306 1.00 0.00 O ATOM 1029 ND2 ASN A 68 -20.875 15.476 -16.662 1.00 0.00 N ATOM 0 H ASN A 68 -23.767 16.349 -15.821 1.00 0.00 H new ATOM 0 HA ASN A 68 -21.764 17.822 -14.544 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -22.558 17.289 -17.371 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -21.493 18.655 -17.102 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -20.106 14.814 -16.565 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -21.818 15.138 -16.855 1.00 0.00 H new ATOM 1036 N LEU A 69 -24.213 19.781 -15.526 1.00 0.00 N ATOM 1037 CA LEU A 69 -24.780 21.107 -15.200 1.00 0.00 C ATOM 1038 C LEU A 69 -24.954 21.316 -13.679 1.00 0.00 C ATOM 1039 O LEU A 69 -24.466 22.328 -13.169 1.00 0.00 O ATOM 1040 CB LEU A 69 -26.073 21.411 -15.985 1.00 0.00 C ATOM 1041 CG LEU A 69 -26.021 21.082 -17.487 1.00 0.00 C ATOM 1042 CD1 LEU A 69 -27.358 21.431 -18.143 1.00 0.00 C ATOM 1043 CD2 LEU A 69 -24.923 21.853 -18.223 1.00 0.00 C ATOM 0 H LEU A 69 -24.845 19.167 -16.040 1.00 0.00 H new ATOM 0 HA LEU A 69 -24.044 21.840 -15.531 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -26.892 20.850 -15.535 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -26.309 22.469 -15.869 1.00 0.00 H new ATOM 0 HG LEU A 69 -25.806 20.016 -17.562 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -27.314 21.196 -19.206 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -28.155 20.852 -17.676 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -27.559 22.495 -18.015 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -24.933 21.581 -19.279 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -25.100 22.924 -18.122 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -23.953 21.604 -17.793 1.00 0.00 H new