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= 1.07 K(o=2.2,f=-9.5!) USER MOD Set 1.2: A 51 LYS NZ :NH3+ 159:sc= 1.11 (180deg=-0.0233) USER MOD Set 2.1: A 35 MET CE :methyl 179:sc= -0.0166 (180deg=-0.0214) USER MOD Set 2.2: A 55 LYS NZ :NH3+ -146:sc= 0.878 (180deg=0.19) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= 1.44 K(o=1.4,f=-6.8!) USER MOD Single : A 18 LYS NZ :NH3+ -163:sc= 0.0191 (180deg=-0.414) 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 -162:sc= 0.883 USER MOD Single : A 42 GLN : amide:sc= 1.02 K(o=1,f=-0.66) USER MOD Single : A 47 SER OG : rot 39:sc= 0.415 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 0.77 K(o=0.77,f=-7.7!) USER MOD Single : A 61 SER OG : rot 86:sc= 1.25 USER MOD Single : A 65 THR OG1 : rot 83:sc= 1.15 USER MOD Single : A 68 ASN : amide:sc= -0.142 X(o=-0.14,f=-0.00032) USER MOD ----------------------------------------------------------------- ATOM 69 N PRO A 6 -30.851 3.704 -14.642 1.00 0.00 N ATOM 70 CA PRO A 6 -30.960 5.144 -14.907 1.00 0.00 C ATOM 71 C PRO A 6 -32.349 5.631 -15.314 1.00 0.00 C ATOM 72 O PRO A 6 -32.661 6.791 -15.045 1.00 0.00 O ATOM 73 CB PRO A 6 -29.935 5.466 -16.005 1.00 0.00 C ATOM 74 CG PRO A 6 -29.760 4.115 -16.672 1.00 0.00 C ATOM 75 CD PRO A 6 -29.862 3.118 -15.532 1.00 0.00 C ATOM 0 HA PRO A 6 -30.764 5.671 -13.973 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -30.304 6.220 -16.700 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -28.999 5.843 -15.593 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -30.530 3.940 -17.424 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -28.797 4.043 -17.178 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -30.176 2.136 -15.887 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -28.903 2.984 -15.031 1.00 0.00 H new ATOM 83 N VAL A 7 -33.201 4.772 -15.898 1.00 0.00 N ATOM 84 CA VAL A 7 -34.604 5.134 -16.191 1.00 0.00 C ATOM 85 C VAL A 7 -35.267 5.632 -14.920 1.00 0.00 C ATOM 86 O VAL A 7 -35.808 6.724 -14.865 1.00 0.00 O ATOM 87 CB VAL A 7 -35.462 3.976 -16.742 1.00 0.00 C ATOM 88 CG1 VAL A 7 -36.888 4.399 -17.117 1.00 0.00 C ATOM 89 CG2 VAL A 7 -34.705 3.190 -17.801 1.00 0.00 C ATOM 0 H VAL A 7 -32.947 3.824 -16.177 1.00 0.00 H new ATOM 0 HA VAL A 7 -34.554 5.897 -16.967 1.00 0.00 H new ATOM 0 HB VAL A 7 -35.635 3.268 -15.931 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -37.435 3.536 -17.497 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -37.395 4.791 -16.235 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -36.848 5.171 -17.886 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -35.333 2.380 -18.172 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -34.441 3.852 -18.626 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -33.797 2.774 -17.365 1.00 0.00 H new ATOM 99 N MET A 8 -35.181 4.808 -13.883 1.00 0.00 N ATOM 100 CA MET A 8 -35.718 5.038 -12.555 1.00 0.00 C ATOM 101 C MET A 8 -35.245 6.341 -11.886 1.00 0.00 C ATOM 102 O MET A 8 -36.035 7.010 -11.223 1.00 0.00 O ATOM 103 CB MET A 8 -35.381 3.797 -11.732 1.00 0.00 C ATOM 104 CG MET A 8 -36.441 3.583 -10.662 1.00 0.00 C ATOM 105 SD MET A 8 -35.870 2.603 -9.253 1.00 0.00 S ATOM 106 CE MET A 8 -37.356 2.633 -8.218 1.00 0.00 C ATOM 0 H MET A 8 -34.705 3.909 -13.955 1.00 0.00 H new ATOM 0 HA MET A 8 -36.795 5.188 -12.625 1.00 0.00 H new ATOM 0 HB2 MET A 8 -35.325 2.923 -12.381 1.00 0.00 H new ATOM 0 HB3 MET A 8 -34.401 3.912 -11.268 1.00 0.00 H new ATOM 0 HG2 MET A 8 -36.782 4.554 -10.303 1.00 0.00 H new ATOM 0 HG3 MET A 8 -37.302 3.089 -11.111 1.00 0.00 H new ATOM 0 HE1 MET A 8 -37.173 2.070 -7.303 1.00 0.00 H new ATOM 0 HE2 MET A 8 -37.604 3.664 -7.967 1.00 0.00 H new ATOM 0 HE3 MET A 8 -38.187 2.182 -8.761 1.00 0.00 H new ATOM 116 N ILE A 9 -33.963 6.689 -12.021 1.00 0.00 N ATOM 117 CA ILE A 9 -33.372 7.976 -11.614 1.00 0.00 C ATOM 118 C ILE A 9 -33.971 9.167 -12.368 1.00 0.00 C ATOM 119 O ILE A 9 -34.480 10.107 -11.764 1.00 0.00 O ATOM 120 CB ILE A 9 -31.840 7.972 -11.765 1.00 0.00 C ATOM 121 CG1 ILE A 9 -31.210 6.682 -11.203 1.00 0.00 C ATOM 122 CG2 ILE A 9 -31.234 9.223 -11.099 1.00 0.00 C ATOM 123 CD1 ILE A 9 -29.726 6.586 -11.546 1.00 0.00 C ATOM 0 H ILE A 9 -33.276 6.058 -12.434 1.00 0.00 H new ATOM 0 HA ILE A 9 -33.619 8.096 -10.559 1.00 0.00 H new ATOM 0 HB ILE A 9 -31.610 7.999 -12.830 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -31.336 6.656 -10.121 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -31.734 5.815 -11.606 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -30.150 9.207 -11.213 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -31.636 10.118 -11.573 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -31.487 9.229 -10.039 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -29.316 5.664 -11.134 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -29.602 6.586 -12.629 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -29.198 7.440 -11.121 1.00 0.00 H new ATOM 135 N LEU A 10 -33.862 9.168 -13.699 1.00 0.00 N ATOM 136 CA LEU A 10 -34.424 10.218 -14.561 1.00 0.00 C ATOM 137 C LEU A 10 -35.927 10.415 -14.338 1.00 0.00 C ATOM 138 O LEU A 10 -36.432 11.537 -14.303 1.00 0.00 O ATOM 139 CB LEU A 10 -33.915 10.002 -16.002 1.00 0.00 C ATOM 140 CG LEU A 10 -34.759 9.865 -17.283 1.00 0.00 C ATOM 141 CD1 LEU A 10 -35.709 8.680 -17.312 1.00 0.00 C ATOM 142 CD2 LEU A 10 -35.492 11.125 -17.693 1.00 0.00 C ATOM 0 H LEU A 10 -33.377 8.434 -14.216 1.00 0.00 H new ATOM 0 HA LEU A 10 -34.057 11.207 -14.286 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -33.235 10.832 -16.194 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -33.309 9.097 -15.960 1.00 0.00 H new ATOM 0 HG LEU A 10 -33.987 9.671 -18.028 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -36.255 8.675 -18.255 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -35.140 7.755 -17.217 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -36.414 8.759 -16.485 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -36.060 10.936 -18.604 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -36.173 11.425 -16.897 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -34.771 11.923 -17.874 1.00 0.00 H new ATOM 154 N ASN A 11 -36.607 9.303 -14.078 1.00 0.00 N ATOM 155 CA ASN A 11 -37.944 9.232 -13.493 1.00 0.00 C ATOM 156 C ASN A 11 -38.049 9.969 -12.139 1.00 0.00 C ATOM 157 O ASN A 11 -38.897 10.835 -11.974 1.00 0.00 O ATOM 158 CB ASN A 11 -38.306 7.742 -13.400 1.00 0.00 C ATOM 159 CG ASN A 11 -39.381 7.417 -12.379 1.00 0.00 C ATOM 160 OD1 ASN A 11 -40.565 7.627 -12.597 1.00 0.00 O ATOM 161 ND2 ASN A 11 -38.998 6.930 -11.222 1.00 0.00 N ATOM 0 H ASN A 11 -36.222 8.380 -14.279 1.00 0.00 H new ATOM 0 HA ASN A 11 -38.663 9.755 -14.124 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -38.639 7.400 -14.380 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -37.407 7.177 -13.154 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -39.690 6.725 -10.501 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -38.009 6.756 -11.044 1.00 0.00 H new ATOM 168 N GLU A 12 -37.258 9.609 -11.129 1.00 0.00 N ATOM 169 CA GLU A 12 -37.302 10.271 -9.819 1.00 0.00 C ATOM 170 C GLU A 12 -37.095 11.797 -9.899 1.00 0.00 C ATOM 171 O GLU A 12 -37.873 12.567 -9.330 1.00 0.00 O ATOM 172 CB GLU A 12 -36.409 9.533 -8.802 1.00 0.00 C ATOM 173 CG GLU A 12 -35.036 10.125 -8.469 1.00 0.00 C ATOM 174 CD GLU A 12 -34.382 9.354 -7.319 1.00 0.00 C ATOM 175 OE1 GLU A 12 -34.086 8.144 -7.460 1.00 0.00 O ATOM 176 OE2 GLU A 12 -34.159 9.965 -6.247 1.00 0.00 O ATOM 0 H GLU A 12 -36.572 8.856 -11.191 1.00 0.00 H new ATOM 0 HA GLU A 12 -38.317 10.189 -9.431 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -36.968 9.448 -7.870 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -36.252 8.520 -9.173 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -34.395 10.088 -9.350 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -35.143 11.175 -8.196 1.00 0.00 H new ATOM 183 N LEU A 13 -36.046 12.236 -10.608 1.00 0.00 N ATOM 184 CA LEU A 13 -35.794 13.637 -10.963 1.00 0.00 C ATOM 185 C LEU A 13 -36.929 14.352 -11.727 1.00 0.00 C ATOM 186 O LEU A 13 -37.199 15.516 -11.422 1.00 0.00 O ATOM 187 CB LEU A 13 -34.418 13.794 -11.617 1.00 0.00 C ATOM 188 CG LEU A 13 -33.247 13.372 -10.698 1.00 0.00 C ATOM 189 CD1 LEU A 13 -32.007 14.095 -11.205 1.00 0.00 C ATOM 190 CD2 LEU A 13 -33.353 13.739 -9.212 1.00 0.00 C ATOM 0 H LEU A 13 -35.327 11.604 -10.961 1.00 0.00 H new ATOM 0 HA LEU A 13 -35.782 14.179 -10.017 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -34.387 13.197 -12.529 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -34.281 14.834 -11.912 1.00 0.00 H new ATOM 0 HG LEU A 13 -33.234 12.283 -10.744 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -31.151 13.828 -10.585 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -31.813 13.804 -12.237 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -32.168 15.172 -11.156 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -32.467 13.384 -8.686 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -33.427 14.822 -9.109 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -34.240 13.272 -8.784 1.00 0.00 H new ATOM 202 N ARG A 14 -37.554 13.676 -12.711 1.00 0.00 N ATOM 203 CA ARG A 14 -38.601 14.149 -13.659 1.00 0.00 C ATOM 204 C ARG A 14 -38.839 15.677 -13.673 1.00 0.00 C ATOM 205 O ARG A 14 -39.800 16.158 -13.062 1.00 0.00 O ATOM 206 CB ARG A 14 -39.892 13.324 -13.466 1.00 0.00 C ATOM 207 CG ARG A 14 -41.075 13.635 -14.404 1.00 0.00 C ATOM 208 CD ARG A 14 -42.327 12.821 -14.026 1.00 0.00 C ATOM 209 NE ARG A 14 -42.313 11.436 -14.546 1.00 0.00 N ATOM 210 CZ ARG A 14 -42.025 10.325 -13.890 1.00 0.00 C ATOM 211 NH1 ARG A 14 -41.554 10.311 -12.682 1.00 0.00 N ATOM 212 NH2 ARG A 14 -42.188 9.156 -14.434 1.00 0.00 N ATOM 0 H ARG A 14 -37.324 12.698 -12.884 1.00 0.00 H new ATOM 0 HA ARG A 14 -38.218 13.967 -14.663 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -39.639 12.270 -13.580 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -40.230 13.462 -12.439 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -41.305 14.699 -14.360 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -40.793 13.413 -15.433 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -42.417 12.791 -12.940 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -43.211 13.333 -14.405 1.00 0.00 H new ATOM 0 HE ARG A 14 -42.555 11.325 -15.531 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -41.388 11.188 -12.189 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -41.350 9.423 -12.224 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -42.545 9.082 -15.387 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -41.959 8.312 -13.908 1.00 0.00 H new ATOM 226 N PRO A 15 -37.986 16.456 -14.369 1.00 0.00 N ATOM 227 CA PRO A 15 -38.322 17.819 -14.784 1.00 0.00 C ATOM 228 C PRO A 15 -39.421 17.799 -15.871 1.00 0.00 C ATOM 229 O PRO A 15 -39.962 16.743 -16.208 1.00 0.00 O ATOM 230 CB PRO A 15 -36.990 18.413 -15.265 1.00 0.00 C ATOM 231 CG PRO A 15 -36.260 17.205 -15.844 1.00 0.00 C ATOM 232 CD PRO A 15 -36.694 16.061 -14.925 1.00 0.00 C ATOM 0 HA PRO A 15 -38.743 18.427 -13.984 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -37.142 19.189 -16.015 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -36.432 18.866 -14.446 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -36.546 17.020 -16.880 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -35.179 17.344 -15.831 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -36.778 15.126 -15.479 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -35.963 15.898 -14.134 1.00 0.00 H new ATOM 240 N GLY A 16 -39.745 18.955 -16.459 1.00 0.00 N ATOM 241 CA GLY A 16 -40.718 19.107 -17.558 1.00 0.00 C ATOM 242 C GLY A 16 -40.257 18.558 -18.922 1.00 0.00 C ATOM 243 O GLY A 16 -40.471 19.203 -19.952 1.00 0.00 O ATOM 0 H GLY A 16 -39.327 19.842 -16.178 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -41.643 18.604 -17.275 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -40.953 20.165 -17.671 1.00 0.00 H new ATOM 247 N LEU A 17 -39.580 17.404 -18.937 1.00 0.00 N ATOM 248 CA LEU A 17 -39.067 16.730 -20.133 1.00 0.00 C ATOM 249 C LEU A 17 -40.156 15.959 -20.902 1.00 0.00 C ATOM 250 O LEU A 17 -41.237 15.688 -20.369 1.00 0.00 O ATOM 251 CB LEU A 17 -37.866 15.860 -19.747 1.00 0.00 C ATOM 252 CG LEU A 17 -38.054 14.789 -18.662 1.00 0.00 C ATOM 253 CD1 LEU A 17 -38.873 13.587 -19.109 1.00 0.00 C ATOM 254 CD2 LEU A 17 -36.672 14.271 -18.295 1.00 0.00 C ATOM 0 H LEU A 17 -39.366 16.894 -18.080 1.00 0.00 H new ATOM 0 HA LEU A 17 -38.727 17.487 -20.840 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -37.516 15.359 -20.650 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -37.066 16.525 -19.421 1.00 0.00 H new ATOM 0 HG LEU A 17 -38.590 15.260 -17.838 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -38.959 12.878 -18.285 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -39.868 13.916 -19.410 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -38.380 13.104 -19.953 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -36.763 13.506 -17.524 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -36.198 13.842 -19.178 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -36.063 15.093 -17.919 1.00 0.00 H new ATOM 266 N LYS A 18 -39.871 15.608 -22.163 1.00 0.00 N ATOM 267 CA LYS A 18 -40.728 14.754 -23.005 1.00 0.00 C ATOM 268 C LYS A 18 -39.995 13.674 -23.790 1.00 0.00 C ATOM 269 O LYS A 18 -38.977 13.943 -24.426 1.00 0.00 O ATOM 270 CB LYS A 18 -41.737 15.546 -23.847 1.00 0.00 C ATOM 271 CG LYS A 18 -41.249 16.777 -24.635 1.00 0.00 C ATOM 272 CD LYS A 18 -40.493 16.541 -25.951 1.00 0.00 C ATOM 273 CE LYS A 18 -41.341 15.910 -27.061 1.00 0.00 C ATOM 274 NZ LYS A 18 -41.274 14.432 -27.040 1.00 0.00 N ATOM 0 H LYS A 18 -39.022 15.914 -22.638 1.00 0.00 H new ATOM 0 HA LYS A 18 -41.320 14.189 -22.285 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -42.184 14.854 -24.561 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -42.534 15.876 -23.181 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -42.118 17.397 -24.856 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -40.602 17.358 -23.978 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -40.100 17.494 -26.307 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -39.636 15.897 -25.754 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -42.378 16.227 -26.949 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -40.999 16.274 -28.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -41.610 14.056 -27.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -40.291 14.131 -26.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -41.874 14.068 -26.273 1.00 0.00 H new ATOM 288 N TYR A 19 -40.560 12.466 -23.790 1.00 0.00 N ATOM 289 CA TYR A 19 -39.992 11.274 -24.417 1.00 0.00 C ATOM 290 C TYR A 19 -40.718 10.942 -25.730 1.00 0.00 C ATOM 291 O TYR A 19 -41.944 11.002 -25.839 1.00 0.00 O ATOM 292 CB TYR A 19 -40.104 10.036 -23.515 1.00 0.00 C ATOM 293 CG TYR A 19 -39.642 10.150 -22.083 1.00 0.00 C ATOM 294 CD1 TYR A 19 -40.559 10.538 -21.087 1.00 0.00 C ATOM 295 CD2 TYR A 19 -38.335 9.772 -21.731 1.00 0.00 C ATOM 296 CE1 TYR A 19 -40.169 10.548 -19.738 1.00 0.00 C ATOM 297 CE2 TYR A 19 -37.932 9.818 -20.386 1.00 0.00 C ATOM 298 CZ TYR A 19 -38.857 10.177 -19.381 1.00 0.00 C ATOM 299 OH TYR A 19 -38.505 10.137 -18.071 1.00 0.00 O ATOM 0 H TYR A 19 -41.456 12.285 -23.338 1.00 0.00 H new ATOM 0 HA TYR A 19 -38.943 11.506 -24.599 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -41.149 9.727 -23.504 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -39.538 9.231 -23.984 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -41.563 10.828 -21.361 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -37.642 9.447 -22.493 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -40.874 10.840 -18.974 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -36.913 9.578 -20.120 1.00 0.00 H new ATOM 0 HH TYR A 19 -38.376 9.206 -17.795 1.00 0.00 H new ATOM 309 N ASP A 20 -39.919 10.627 -26.735 1.00 0.00 N ATOM 310 CA ASP A 20 -40.258 10.230 -28.103 1.00 0.00 C ATOM 311 C ASP A 20 -39.920 8.750 -28.329 1.00 0.00 C ATOM 312 O ASP A 20 -38.851 8.285 -27.928 1.00 0.00 O ATOM 313 CB ASP A 20 -39.501 11.098 -29.120 1.00 0.00 C ATOM 314 CG ASP A 20 -39.868 12.572 -28.966 1.00 0.00 C ATOM 315 OD1 ASP A 20 -40.985 12.962 -29.381 1.00 0.00 O ATOM 316 OD2 ASP A 20 -39.094 13.343 -28.351 1.00 0.00 O ATOM 0 H ASP A 20 -38.907 10.643 -26.605 1.00 0.00 H new ATOM 0 HA ASP A 20 -41.329 10.375 -28.245 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -38.427 10.971 -28.983 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -39.735 10.766 -30.131 1.00 0.00 H new ATOM 321 N PHE A 21 -40.824 8.007 -28.973 1.00 0.00 N ATOM 322 CA PHE A 21 -40.659 6.577 -29.248 1.00 0.00 C ATOM 323 C PHE A 21 -40.302 6.365 -30.724 1.00 0.00 C ATOM 324 O PHE A 21 -40.942 6.881 -31.645 1.00 0.00 O ATOM 325 CB PHE A 21 -41.950 5.829 -28.885 1.00 0.00 C ATOM 326 CG PHE A 21 -41.928 4.358 -29.267 1.00 0.00 C ATOM 327 CD1 PHE A 21 -42.340 3.953 -30.553 1.00 0.00 C ATOM 328 CD2 PHE A 21 -41.460 3.395 -28.354 1.00 0.00 C ATOM 329 CE1 PHE A 21 -42.268 2.599 -30.927 1.00 0.00 C ATOM 330 CE2 PHE A 21 -41.393 2.041 -28.726 1.00 0.00 C ATOM 331 CZ PHE A 21 -41.796 1.643 -30.013 1.00 0.00 C ATOM 0 H PHE A 21 -41.703 8.387 -29.323 1.00 0.00 H new ATOM 0 HA PHE A 21 -39.846 6.181 -28.640 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -42.120 5.915 -27.812 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -42.792 6.312 -29.381 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -42.712 4.685 -31.254 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -41.151 3.697 -27.364 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -42.576 2.295 -31.917 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -41.032 1.306 -28.022 1.00 0.00 H new ATOM 0 HZ PHE A 21 -41.743 0.603 -30.298 1.00 0.00 H new ATOM 341 N LEU A 22 -39.223 5.614 -30.908 1.00 0.00 N ATOM 342 CA LEU A 22 -38.480 5.355 -32.131 1.00 0.00 C ATOM 343 C LEU A 22 -38.202 3.837 -32.165 1.00 0.00 C ATOM 344 O LEU A 22 -37.954 3.188 -31.152 1.00 0.00 O ATOM 345 CB LEU A 22 -37.176 6.176 -32.159 1.00 0.00 C ATOM 346 CG LEU A 22 -37.234 7.718 -32.206 1.00 0.00 C ATOM 347 CD1 LEU A 22 -37.506 8.374 -30.859 1.00 0.00 C ATOM 348 CD2 LEU A 22 -35.906 8.286 -32.723 1.00 0.00 C ATOM 0 H LEU A 22 -38.805 5.120 -30.119 1.00 0.00 H new ATOM 0 HA LEU A 22 -39.047 5.655 -33.012 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -36.601 5.900 -31.275 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -36.605 5.847 -33.027 1.00 0.00 H new ATOM 0 HG LEU A 22 -38.067 7.945 -32.871 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -37.531 9.457 -30.980 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -38.466 8.030 -30.474 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -36.716 8.105 -30.157 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -35.962 9.374 -32.751 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -35.097 7.981 -32.059 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -35.714 7.907 -33.727 1.00 0.00 H new ATOM 360 N SER A 23 -38.392 3.209 -33.309 1.00 0.00 N ATOM 361 CA SER A 23 -38.574 1.772 -33.426 1.00 0.00 C ATOM 362 C SER A 23 -37.379 0.879 -33.089 1.00 0.00 C ATOM 363 O SER A 23 -37.616 -0.139 -32.451 1.00 0.00 O ATOM 364 CB SER A 23 -39.131 1.370 -34.794 1.00 0.00 C ATOM 365 OG SER A 23 -40.053 2.309 -35.320 1.00 0.00 O ATOM 0 H SER A 23 -38.425 3.694 -34.206 1.00 0.00 H new ATOM 0 HA SER A 23 -39.299 1.582 -32.634 1.00 0.00 H new ATOM 0 HB2 SER A 23 -38.305 1.251 -35.495 1.00 0.00 H new ATOM 0 HB3 SER A 23 -39.620 0.399 -34.709 1.00 0.00 H new ATOM 0 HG SER A 23 -40.372 2.000 -36.193 1.00 0.00 H new ATOM 490 N PHE A 33 -35.092 -0.859 -29.647 1.00 0.00 N ATOM 491 CA PHE A 33 -36.138 0.143 -29.555 1.00 0.00 C ATOM 492 C PHE A 33 -35.430 1.361 -29.028 1.00 0.00 C ATOM 493 O PHE A 33 -34.501 1.302 -28.225 1.00 0.00 O ATOM 494 CB PHE A 33 -37.254 -0.182 -28.561 1.00 0.00 C ATOM 495 CG PHE A 33 -38.045 -1.454 -28.770 1.00 0.00 C ATOM 496 CD1 PHE A 33 -37.438 -2.717 -28.653 1.00 0.00 C ATOM 497 CD2 PHE A 33 -39.433 -1.370 -28.970 1.00 0.00 C ATOM 498 CE1 PHE A 33 -38.207 -3.887 -28.786 1.00 0.00 C ATOM 499 CE2 PHE A 33 -40.206 -2.535 -29.086 1.00 0.00 C ATOM 500 CZ PHE A 33 -39.592 -3.798 -29.018 1.00 0.00 C ATOM 0 HA PHE A 33 -36.618 0.240 -30.529 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -36.812 -0.224 -27.565 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -37.956 0.652 -28.564 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -36.378 -2.789 -28.460 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -39.908 -0.402 -29.035 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -37.734 -4.855 -28.710 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -41.274 -2.462 -29.228 1.00 0.00 H new ATOM 0 HZ PHE A 33 -40.180 -4.695 -29.143 1.00 0.00 H new ATOM 510 N VAL A 34 -35.762 2.463 -29.648 1.00 0.00 N ATOM 511 CA VAL A 34 -35.073 3.707 -29.475 1.00 0.00 C ATOM 512 C VAL A 34 -36.019 4.633 -28.719 1.00 0.00 C ATOM 513 O VAL A 34 -37.158 4.883 -29.104 1.00 0.00 O ATOM 514 CB VAL A 34 -34.606 4.159 -30.854 1.00 0.00 C ATOM 515 CG1 VAL A 34 -34.026 5.550 -30.819 1.00 0.00 C ATOM 516 CG2 VAL A 34 -33.452 3.294 -31.359 1.00 0.00 C ATOM 0 H VAL A 34 -36.541 2.517 -30.304 1.00 0.00 H new ATOM 0 HA VAL A 34 -34.166 3.666 -28.871 1.00 0.00 H new ATOM 0 HB VAL A 34 -35.491 4.095 -31.488 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -33.705 5.836 -31.821 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -34.783 6.251 -30.467 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -33.170 5.571 -30.144 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -33.141 3.641 -32.344 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -32.613 3.367 -30.667 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -33.778 2.256 -31.426 1.00 0.00 H new ATOM 526 N MET A 35 -35.553 5.110 -27.580 1.00 0.00 N ATOM 527 CA MET A 35 -36.259 6.123 -26.804 1.00 0.00 C ATOM 528 C MET A 35 -35.416 7.371 -26.831 1.00 0.00 C ATOM 529 O MET A 35 -34.227 7.315 -26.520 1.00 0.00 O ATOM 530 CB MET A 35 -36.475 5.687 -25.348 1.00 0.00 C ATOM 531 CG MET A 35 -37.571 4.632 -25.176 1.00 0.00 C ATOM 532 SD MET A 35 -39.192 5.009 -25.906 1.00 0.00 S ATOM 533 CE MET A 35 -39.540 6.664 -25.256 1.00 0.00 C ATOM 0 H MET A 35 -34.673 4.808 -27.162 1.00 0.00 H new ATOM 0 HA MET A 35 -37.245 6.287 -27.239 1.00 0.00 H new ATOM 0 HB2 MET A 35 -35.539 5.292 -24.954 1.00 0.00 H new ATOM 0 HB3 MET A 35 -36.729 6.562 -24.750 1.00 0.00 H new ATOM 0 HG2 MET A 35 -37.213 3.697 -25.607 1.00 0.00 H new ATOM 0 HG3 MET A 35 -37.711 4.458 -24.109 1.00 0.00 H new ATOM 0 HE1 MET A 35 -40.497 7.014 -25.644 1.00 0.00 H new ATOM 0 HE2 MET A 35 -39.582 6.626 -24.167 1.00 0.00 H new ATOM 0 HE3 MET A 35 -38.751 7.350 -25.565 1.00 0.00 H new ATOM 543 N SER A 36 -36.030 8.489 -27.188 1.00 0.00 N ATOM 544 CA SER A 36 -35.293 9.735 -27.351 1.00 0.00 C ATOM 545 C SER A 36 -36.001 10.862 -26.620 1.00 0.00 C ATOM 546 O SER A 36 -37.217 10.951 -26.670 1.00 0.00 O ATOM 547 CB SER A 36 -35.084 10.025 -28.832 1.00 0.00 C ATOM 548 OG SER A 36 -34.532 8.874 -29.439 1.00 0.00 O ATOM 0 H SER A 36 -37.031 8.560 -27.370 1.00 0.00 H new ATOM 0 HA SER A 36 -34.304 9.644 -26.902 1.00 0.00 H new ATOM 0 HB2 SER A 36 -36.031 10.286 -29.305 1.00 0.00 H new ATOM 0 HB3 SER A 36 -34.418 10.878 -28.961 1.00 0.00 H new ATOM 0 HG SER A 36 -34.134 9.118 -30.301 1.00 0.00 H new ATOM 554 N VAL A 37 -35.284 11.697 -25.879 1.00 0.00 N ATOM 555 CA VAL A 37 -35.884 12.642 -24.919 1.00 0.00 C ATOM 556 C VAL A 37 -35.380 14.049 -25.178 1.00 0.00 C ATOM 557 O VAL A 37 -34.176 14.246 -25.325 1.00 0.00 O ATOM 558 CB VAL A 37 -35.627 12.290 -23.438 1.00 0.00 C ATOM 559 CG1 VAL A 37 -36.809 12.663 -22.543 1.00 0.00 C ATOM 560 CG2 VAL A 37 -35.143 10.883 -23.128 1.00 0.00 C ATOM 0 H VAL A 37 -34.266 11.746 -25.920 1.00 0.00 H new ATOM 0 HA VAL A 37 -36.959 12.572 -25.082 1.00 0.00 H new ATOM 0 HB VAL A 37 -34.768 12.918 -23.203 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -36.582 12.397 -21.511 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -36.991 13.736 -22.609 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -37.698 12.123 -22.870 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -35.004 10.775 -22.052 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -35.882 10.160 -23.473 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -34.195 10.704 -23.636 1.00 0.00 H new ATOM 570 N VAL A 38 -36.286 15.027 -25.158 1.00 0.00 N ATOM 571 CA VAL A 38 -35.932 16.453 -25.140 1.00 0.00 C ATOM 572 C VAL A 38 -36.176 16.905 -23.705 1.00 0.00 C ATOM 573 O VAL A 38 -37.282 16.767 -23.172 1.00 0.00 O ATOM 574 CB VAL A 38 -36.791 17.311 -26.093 1.00 0.00 C ATOM 575 CG1 VAL A 38 -36.286 18.759 -26.108 1.00 0.00 C ATOM 576 CG2 VAL A 38 -36.804 16.810 -27.541 1.00 0.00 C ATOM 0 H VAL A 38 -37.291 14.855 -25.154 1.00 0.00 H new ATOM 0 HA VAL A 38 -34.903 16.580 -25.475 1.00 0.00 H new ATOM 0 HB VAL A 38 -37.806 17.240 -25.703 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -36.901 19.352 -26.784 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -36.347 19.176 -25.103 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -35.250 18.780 -26.448 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -37.429 17.466 -28.147 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -35.788 16.811 -27.935 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -37.204 15.797 -27.572 1.00 0.00 H new ATOM 586 N VAL A 39 -35.101 17.351 -23.054 1.00 0.00 N ATOM 587 CA VAL A 39 -35.027 17.414 -21.582 1.00 0.00 C ATOM 588 C VAL A 39 -34.830 18.845 -21.069 1.00 0.00 C ATOM 589 O VAL A 39 -35.435 19.231 -20.071 1.00 0.00 O ATOM 590 CB VAL A 39 -33.937 16.446 -21.064 1.00 0.00 C ATOM 591 CG1 VAL A 39 -33.744 16.534 -19.548 1.00 0.00 C ATOM 592 CG2 VAL A 39 -34.240 14.999 -21.445 1.00 0.00 C ATOM 0 H VAL A 39 -34.257 17.679 -23.524 1.00 0.00 H new ATOM 0 HA VAL A 39 -35.986 17.089 -21.180 1.00 0.00 H new ATOM 0 HB VAL A 39 -33.012 16.761 -21.547 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -32.968 15.834 -19.239 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -33.447 17.547 -19.277 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -34.679 16.284 -19.047 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -33.452 14.350 -21.064 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -35.196 14.702 -21.014 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -34.289 14.911 -22.530 1.00 0.00 H new ATOM 602 N ASP A 40 -34.062 19.654 -21.801 1.00 0.00 N ATOM 603 CA ASP A 40 -33.677 21.027 -21.418 1.00 0.00 C ATOM 604 C ASP A 40 -33.893 22.070 -22.533 1.00 0.00 C ATOM 605 O ASP A 40 -33.752 23.273 -22.306 1.00 0.00 O ATOM 606 CB ASP A 40 -32.172 21.021 -21.129 1.00 0.00 C ATOM 607 CG ASP A 40 -31.722 20.166 -19.943 1.00 0.00 C ATOM 608 OD1 ASP A 40 -32.330 20.253 -18.851 1.00 0.00 O ATOM 609 OD2 ASP A 40 -30.719 19.440 -20.128 1.00 0.00 O ATOM 0 H ASP A 40 -33.677 19.371 -22.702 1.00 0.00 H new ATOM 0 HA ASP A 40 -34.300 21.303 -20.567 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -31.652 20.672 -22.021 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -31.851 22.048 -20.954 1.00 0.00 H new ATOM 614 N GLY A 41 -34.120 21.601 -23.764 1.00 0.00 N ATOM 615 CA GLY A 41 -33.684 22.279 -24.993 1.00 0.00 C ATOM 616 C GLY A 41 -32.555 21.514 -25.707 1.00 0.00 C ATOM 617 O GLY A 41 -32.357 21.701 -26.909 1.00 0.00 O ATOM 0 H GLY A 41 -34.618 20.728 -23.939 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -34.533 22.385 -25.668 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -33.342 23.285 -24.750 1.00 0.00 H new ATOM 621 N GLN A 42 -31.883 20.589 -25.002 1.00 0.00 N ATOM 622 CA GLN A 42 -31.026 19.547 -25.575 1.00 0.00 C ATOM 623 C GLN A 42 -31.729 18.179 -25.533 1.00 0.00 C ATOM 624 O GLN A 42 -32.695 17.963 -24.784 1.00 0.00 O ATOM 625 CB GLN A 42 -29.628 19.501 -24.919 1.00 0.00 C ATOM 626 CG GLN A 42 -29.624 19.719 -23.400 1.00 0.00 C ATOM 627 CD GLN A 42 -28.263 19.560 -22.732 1.00 0.00 C ATOM 628 OE1 GLN A 42 -27.207 19.650 -23.346 1.00 0.00 O ATOM 629 NE2 GLN A 42 -28.242 19.335 -21.437 1.00 0.00 N ATOM 0 H GLN A 42 -31.925 20.548 -23.984 1.00 0.00 H new ATOM 0 HA GLN A 42 -30.856 19.805 -26.620 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -29.172 18.535 -25.135 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -28.999 20.261 -25.383 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -30.001 20.720 -23.190 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -30.320 19.015 -22.945 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -29.117 19.259 -20.918 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -27.351 19.237 -20.951 1.00 0.00 H new ATOM 638 N PHE A 43 -31.249 17.284 -26.397 1.00 0.00 N ATOM 639 CA PHE A 43 -31.930 16.073 -26.847 1.00 0.00 C ATOM 640 C PHE A 43 -30.987 14.859 -26.842 1.00 0.00 C ATOM 641 O PHE A 43 -29.814 14.971 -27.213 1.00 0.00 O ATOM 642 CB PHE A 43 -32.484 16.349 -28.253 1.00 0.00 C ATOM 643 CG PHE A 43 -33.022 15.147 -29.009 1.00 0.00 C ATOM 644 CD1 PHE A 43 -34.242 14.555 -28.635 1.00 0.00 C ATOM 645 CD2 PHE A 43 -32.318 14.642 -30.119 1.00 0.00 C ATOM 646 CE1 PHE A 43 -34.775 13.490 -29.381 1.00 0.00 C ATOM 647 CE2 PHE A 43 -32.844 13.570 -30.861 1.00 0.00 C ATOM 648 CZ PHE A 43 -34.077 12.999 -30.498 1.00 0.00 C ATOM 0 H PHE A 43 -30.328 17.391 -26.822 1.00 0.00 H new ATOM 0 HA PHE A 43 -32.743 15.825 -26.164 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -33.283 17.086 -28.168 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -31.693 16.803 -28.850 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -34.773 14.921 -27.769 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -31.372 15.079 -30.401 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -35.719 13.050 -29.097 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -32.301 13.184 -31.711 1.00 0.00 H new ATOM 0 HZ PHE A 43 -34.487 12.184 -31.077 1.00 0.00 H new ATOM 658 N PHE A 44 -31.512 13.700 -26.442 1.00 0.00 N ATOM 659 CA PHE A 44 -30.746 12.472 -26.185 1.00 0.00 C ATOM 660 C PHE A 44 -31.423 11.246 -26.801 1.00 0.00 C ATOM 661 O PHE A 44 -32.592 11.004 -26.526 1.00 0.00 O ATOM 662 CB PHE A 44 -30.603 12.299 -24.662 1.00 0.00 C ATOM 663 CG PHE A 44 -30.008 13.521 -23.997 1.00 0.00 C ATOM 664 CD1 PHE A 44 -28.649 13.813 -24.196 1.00 0.00 C ATOM 665 CD2 PHE A 44 -30.829 14.427 -23.296 1.00 0.00 C ATOM 666 CE1 PHE A 44 -28.114 15.012 -23.709 1.00 0.00 C ATOM 667 CE2 PHE A 44 -30.282 15.616 -22.782 1.00 0.00 C ATOM 668 CZ PHE A 44 -28.926 15.909 -22.993 1.00 0.00 C ATOM 0 H PHE A 44 -32.513 13.583 -26.282 1.00 0.00 H new ATOM 0 HA PHE A 44 -29.764 12.560 -26.650 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -31.582 12.093 -24.229 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -29.974 11.433 -24.455 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -28.017 13.114 -24.724 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -31.877 14.208 -23.154 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -27.075 15.248 -23.884 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -30.904 16.302 -22.226 1.00 0.00 H new ATOM 0 HZ PHE A 44 -28.506 16.825 -22.605 1.00 0.00 H new ATOM 678 N GLU A 45 -30.692 10.460 -27.595 1.00 0.00 N ATOM 679 CA GLU A 45 -31.138 9.203 -28.228 1.00 0.00 C ATOM 680 C GLU A 45 -30.630 8.009 -27.399 1.00 0.00 C ATOM 681 O GLU A 45 -29.460 7.981 -27.004 1.00 0.00 O ATOM 682 CB GLU A 45 -30.557 9.055 -29.653 1.00 0.00 C ATOM 683 CG GLU A 45 -30.689 10.258 -30.612 1.00 0.00 C ATOM 684 CD GLU A 45 -31.882 10.211 -31.585 1.00 0.00 C ATOM 685 OE1 GLU A 45 -32.947 9.660 -31.238 1.00 0.00 O ATOM 686 OE2 GLU A 45 -31.755 10.741 -32.717 1.00 0.00 O ATOM 0 H GLU A 45 -29.726 10.688 -27.829 1.00 0.00 H new ATOM 0 HA GLU A 45 -32.227 9.224 -28.277 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -29.498 8.815 -29.560 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -31.038 8.197 -30.123 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -30.766 11.167 -30.016 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -29.771 10.336 -31.195 1.00 0.00 H new ATOM 693 N GLY A 46 -31.479 7.013 -27.143 1.00 0.00 N ATOM 694 CA GLY A 46 -31.103 5.793 -26.428 1.00 0.00 C ATOM 695 C GLY A 46 -31.630 4.521 -27.083 1.00 0.00 C ATOM 696 O GLY A 46 -32.838 4.311 -27.134 1.00 0.00 O ATOM 0 H GLY A 46 -32.458 7.031 -27.429 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -30.016 5.737 -26.366 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -31.478 5.849 -25.406 1.00 0.00 H new ATOM 700 N SER A 47 -30.731 3.656 -27.558 1.00 0.00 N ATOM 701 CA SER A 47 -31.047 2.439 -28.323 1.00 0.00 C ATOM 702 C SER A 47 -30.882 1.176 -27.466 1.00 0.00 C ATOM 703 O SER A 47 -29.767 0.763 -27.140 1.00 0.00 O ATOM 704 CB SER A 47 -30.130 2.378 -29.553 1.00 0.00 C ATOM 705 OG SER A 47 -28.761 2.448 -29.178 1.00 0.00 O ATOM 0 H SER A 47 -29.729 3.784 -27.418 1.00 0.00 H new ATOM 0 HA SER A 47 -32.090 2.479 -28.637 1.00 0.00 H new ATOM 0 HB2 SER A 47 -30.313 1.453 -30.101 1.00 0.00 H new ATOM 0 HB3 SER A 47 -30.367 3.200 -30.228 1.00 0.00 H new ATOM 0 HG SER A 47 -28.619 1.927 -28.360 1.00 0.00 H new ATOM 711 N GLY A 48 -32.006 0.598 -27.043 1.00 0.00 N ATOM 712 CA GLY A 48 -32.069 -0.534 -26.111 1.00 0.00 C ATOM 713 C GLY A 48 -33.046 -1.653 -26.471 1.00 0.00 C ATOM 714 O GLY A 48 -34.087 -1.407 -27.073 1.00 0.00 O ATOM 0 H GLY A 48 -32.927 0.912 -27.347 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -31.071 -0.965 -26.028 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -32.335 -0.152 -25.125 1.00 0.00 H new ATOM 718 N ARG A 49 -32.716 -2.904 -26.126 1.00 0.00 N ATOM 719 CA ARG A 49 -33.541 -4.108 -26.386 1.00 0.00 C ATOM 720 C ARG A 49 -35.037 -4.015 -26.010 1.00 0.00 C ATOM 721 O ARG A 49 -35.851 -4.675 -26.651 1.00 0.00 O ATOM 722 CB ARG A 49 -32.883 -5.353 -25.755 1.00 0.00 C ATOM 723 CG ARG A 49 -31.456 -5.658 -26.255 1.00 0.00 C ATOM 724 CD ARG A 49 -31.393 -5.834 -27.776 1.00 0.00 C ATOM 725 NE ARG A 49 -30.027 -6.140 -28.251 1.00 0.00 N ATOM 726 CZ ARG A 49 -29.607 -5.996 -29.496 1.00 0.00 C ATOM 727 NH1 ARG A 49 -30.413 -5.604 -30.430 1.00 0.00 N ATOM 728 NH2 ARG A 49 -28.376 -6.243 -29.836 1.00 0.00 N ATOM 0 H ARG A 49 -31.844 -3.121 -25.644 1.00 0.00 H new ATOM 0 HA ARG A 49 -33.560 -4.194 -27.472 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -32.853 -5.221 -24.673 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -33.514 -6.219 -25.953 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -30.790 -4.848 -25.958 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -31.091 -6.564 -25.772 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -32.067 -6.637 -28.074 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -31.748 -4.924 -28.260 1.00 0.00 H new ATOM 0 HE ARG A 49 -29.357 -6.489 -27.565 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -31.388 -5.401 -30.210 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -30.073 -5.498 -31.386 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -27.706 -6.557 -29.134 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -28.081 -6.123 -30.805 1.00 0.00 H new ATOM 742 N ASN A 50 -35.413 -3.171 -25.045 1.00 0.00 N ATOM 743 CA ASN A 50 -36.723 -2.497 -24.979 1.00 0.00 C ATOM 744 C ASN A 50 -36.576 -1.167 -24.206 1.00 0.00 C ATOM 745 O ASN A 50 -35.461 -0.834 -23.804 1.00 0.00 O ATOM 746 CB ASN A 50 -37.782 -3.437 -24.356 1.00 0.00 C ATOM 747 CG ASN A 50 -39.191 -3.057 -24.781 1.00 0.00 C ATOM 748 OD1 ASN A 50 -39.836 -2.198 -24.196 1.00 0.00 O ATOM 749 ND2 ASN A 50 -39.692 -3.623 -25.848 1.00 0.00 N ATOM 0 H ASN A 50 -34.802 -2.928 -24.265 1.00 0.00 H new ATOM 0 HA ASN A 50 -37.073 -2.258 -25.983 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -37.577 -4.465 -24.655 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -37.707 -3.400 -23.269 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -40.614 -3.347 -26.186 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -39.161 -4.340 -26.342 1.00 0.00 H new ATOM 756 N LYS A 51 -37.666 -0.435 -23.920 1.00 0.00 N ATOM 757 CA LYS A 51 -37.717 0.776 -23.063 1.00 0.00 C ATOM 758 C LYS A 51 -36.888 0.673 -21.779 1.00 0.00 C ATOM 759 O LYS A 51 -36.186 1.620 -21.445 1.00 0.00 O ATOM 760 CB LYS A 51 -39.174 1.114 -22.716 1.00 0.00 C ATOM 761 CG LYS A 51 -39.878 1.785 -23.910 1.00 0.00 C ATOM 762 CD LYS A 51 -41.402 1.910 -23.738 1.00 0.00 C ATOM 763 CE LYS A 51 -42.218 0.767 -24.370 1.00 0.00 C ATOM 764 NZ LYS A 51 -42.066 -0.539 -23.672 1.00 0.00 N ATOM 0 H LYS A 51 -38.583 -0.678 -24.295 1.00 0.00 H new ATOM 0 HA LYS A 51 -37.266 1.576 -23.651 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -39.707 0.205 -22.438 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -39.202 1.777 -21.851 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -39.455 2.779 -24.058 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -39.669 1.212 -24.813 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -41.631 1.956 -22.673 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -41.727 2.854 -24.175 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -43.272 1.045 -24.374 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -41.915 0.649 -25.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -42.874 -1.152 -23.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -41.185 -0.997 -23.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -42.032 -0.382 -22.645 1.00 0.00 H new ATOM 778 N LYS A 52 -36.880 -0.496 -21.134 1.00 0.00 N ATOM 779 CA LYS A 52 -36.022 -0.861 -19.984 1.00 0.00 C ATOM 780 C LYS A 52 -34.538 -0.484 -20.119 1.00 0.00 C ATOM 781 O LYS A 52 -33.876 -0.202 -19.124 1.00 0.00 O ATOM 782 CB LYS A 52 -36.175 -2.373 -19.740 1.00 0.00 C ATOM 783 CG LYS A 52 -35.522 -3.222 -20.852 1.00 0.00 C ATOM 784 CD LYS A 52 -36.018 -4.665 -20.817 1.00 0.00 C ATOM 785 CE LYS A 52 -35.278 -5.523 -21.851 1.00 0.00 C ATOM 786 NZ LYS A 52 -35.684 -6.950 -21.757 1.00 0.00 N ATOM 0 H LYS A 52 -37.500 -1.258 -21.407 1.00 0.00 H new ATOM 0 HA LYS A 52 -36.367 -0.271 -19.135 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -35.726 -2.630 -18.781 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -37.234 -2.621 -19.673 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -35.744 -2.783 -21.825 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -34.438 -3.206 -20.735 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -35.870 -5.081 -19.820 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -37.089 -4.691 -21.017 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -35.486 -5.149 -22.853 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -34.203 -5.437 -21.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -35.167 -7.506 -22.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -35.463 -7.312 -20.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -36.706 -7.032 -21.930 1.00 0.00 H new ATOM 800 N LEU A 53 -34.045 -0.468 -21.358 1.00 0.00 N ATOM 801 CA LEU A 53 -32.659 -0.226 -21.748 1.00 0.00 C ATOM 802 C LEU A 53 -32.545 0.972 -22.711 1.00 0.00 C ATOM 803 O LEU A 53 -31.594 1.741 -22.635 1.00 0.00 O ATOM 804 CB LEU A 53 -32.135 -1.551 -22.338 1.00 0.00 C ATOM 805 CG LEU A 53 -30.681 -1.560 -22.845 1.00 0.00 C ATOM 806 CD1 LEU A 53 -29.691 -1.021 -21.813 1.00 0.00 C ATOM 807 CD2 LEU A 53 -30.280 -2.994 -23.187 1.00 0.00 C ATOM 0 H LEU A 53 -34.644 -0.635 -22.167 1.00 0.00 H new ATOM 0 HA LEU A 53 -32.042 0.059 -20.896 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -32.234 -2.324 -21.576 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -32.785 -1.834 -23.166 1.00 0.00 H new ATOM 0 HG LEU A 53 -30.643 -0.910 -23.719 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -28.683 -1.051 -22.226 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -29.950 0.008 -21.563 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -29.733 -1.635 -20.913 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -29.251 -3.008 -23.547 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -30.361 -3.617 -22.296 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -30.941 -3.382 -23.962 1.00 0.00 H new ATOM 819 N ALA A 54 -33.510 1.157 -23.613 1.00 0.00 N ATOM 820 CA ALA A 54 -33.657 2.336 -24.467 1.00 0.00 C ATOM 821 C ALA A 54 -33.730 3.633 -23.654 1.00 0.00 C ATOM 822 O ALA A 54 -32.900 4.533 -23.806 1.00 0.00 O ATOM 823 CB ALA A 54 -34.878 2.122 -25.360 1.00 0.00 C ATOM 0 H ALA A 54 -34.239 0.462 -23.775 1.00 0.00 H new ATOM 0 HA ALA A 54 -32.773 2.454 -25.094 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -35.011 2.988 -26.008 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -34.731 1.231 -25.970 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -35.765 1.994 -24.739 1.00 0.00 H new ATOM 829 N LYS A 55 -34.701 3.685 -22.725 1.00 0.00 N ATOM 830 CA LYS A 55 -34.789 4.736 -21.712 1.00 0.00 C ATOM 831 C LYS A 55 -33.484 4.805 -20.942 1.00 0.00 C ATOM 832 O LYS A 55 -32.993 5.900 -20.781 1.00 0.00 O ATOM 833 CB LYS A 55 -35.989 4.544 -20.761 1.00 0.00 C ATOM 834 CG LYS A 55 -36.338 5.868 -20.072 1.00 0.00 C ATOM 835 CD LYS A 55 -37.829 6.230 -20.062 1.00 0.00 C ATOM 836 CE LYS A 55 -38.462 6.303 -21.459 1.00 0.00 C ATOM 837 NZ LYS A 55 -39.842 6.856 -21.372 1.00 0.00 N ATOM 0 H LYS A 55 -35.447 2.993 -22.661 1.00 0.00 H new ATOM 0 HA LYS A 55 -34.959 5.683 -22.224 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -36.850 4.179 -21.320 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -35.751 3.788 -20.013 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -35.984 5.826 -19.042 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -35.790 6.671 -20.565 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -38.368 5.492 -19.468 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -37.956 7.192 -19.566 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -37.852 6.929 -22.110 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -38.488 5.309 -21.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -40.442 6.408 -22.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -40.234 6.664 -20.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -39.815 7.883 -21.533 1.00 0.00 H new ATOM 851 N ALA A 56 -32.898 3.692 -20.494 1.00 0.00 N ATOM 852 CA ALA A 56 -31.658 3.688 -19.735 1.00 0.00 C ATOM 853 C ALA A 56 -30.515 4.405 -20.452 1.00 0.00 C ATOM 854 O ALA A 56 -29.867 5.260 -19.858 1.00 0.00 O ATOM 855 CB ALA A 56 -31.276 2.254 -19.344 1.00 0.00 C ATOM 0 H ALA A 56 -33.281 2.760 -20.653 1.00 0.00 H new ATOM 0 HA ALA A 56 -31.836 4.260 -18.824 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -30.346 2.267 -18.776 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -32.068 1.820 -18.733 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -31.143 1.654 -20.245 1.00 0.00 H new ATOM 861 N ARG A 57 -30.280 4.087 -21.728 1.00 0.00 N ATOM 862 CA ARG A 57 -29.350 4.817 -22.592 1.00 0.00 C ATOM 863 C ARG A 57 -29.654 6.310 -22.677 1.00 0.00 C ATOM 864 O ARG A 57 -28.782 7.121 -22.359 1.00 0.00 O ATOM 865 CB ARG A 57 -29.278 4.149 -23.982 1.00 0.00 C ATOM 866 CG ARG A 57 -28.406 2.883 -24.063 1.00 0.00 C ATOM 867 CD ARG A 57 -27.049 2.991 -23.349 1.00 0.00 C ATOM 868 NE ARG A 57 -26.377 4.299 -23.562 1.00 0.00 N ATOM 869 CZ ARG A 57 -25.599 4.910 -22.687 1.00 0.00 C ATOM 870 NH1 ARG A 57 -25.097 4.292 -21.660 1.00 0.00 N ATOM 871 NH2 ARG A 57 -25.314 6.175 -22.780 1.00 0.00 N ATOM 0 H ARG A 57 -30.737 3.304 -22.196 1.00 0.00 H new ATOM 0 HA ARG A 57 -28.363 4.758 -22.133 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -30.290 3.893 -24.296 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -28.897 4.878 -24.697 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -28.961 2.048 -23.635 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -28.231 2.645 -25.112 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -27.195 2.835 -22.280 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -26.396 2.193 -23.702 1.00 0.00 H new ATOM 0 HE ARG A 57 -26.529 4.763 -24.457 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -25.300 3.304 -21.510 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -24.500 4.795 -21.004 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -25.695 6.729 -23.547 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -24.709 6.614 -22.086 1.00 0.00 H new ATOM 885 N ALA A 58 -30.865 6.673 -23.097 1.00 0.00 N ATOM 886 CA ALA A 58 -31.294 8.070 -23.205 1.00 0.00 C ATOM 887 C ALA A 58 -31.135 8.835 -21.878 1.00 0.00 C ATOM 888 O ALA A 58 -30.489 9.876 -21.822 1.00 0.00 O ATOM 889 CB ALA A 58 -32.731 8.103 -23.725 1.00 0.00 C ATOM 0 H ALA A 58 -31.582 6.003 -23.374 1.00 0.00 H new ATOM 0 HA ALA A 58 -30.647 8.587 -23.913 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -33.063 9.138 -23.810 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -32.775 7.626 -24.704 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -33.381 7.569 -23.032 1.00 0.00 H new ATOM 895 N ALA A 59 -31.677 8.258 -20.807 1.00 0.00 N ATOM 896 CA ALA A 59 -31.586 8.684 -19.417 1.00 0.00 C ATOM 897 C ALA A 59 -30.150 8.862 -18.931 1.00 0.00 C ATOM 898 O ALA A 59 -29.842 9.922 -18.418 1.00 0.00 O ATOM 899 CB ALA A 59 -32.299 7.658 -18.526 1.00 0.00 C ATOM 0 H ALA A 59 -32.237 7.410 -20.900 1.00 0.00 H new ATOM 0 HA ALA A 59 -32.065 9.661 -19.353 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -32.233 7.973 -17.484 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -33.347 7.588 -18.819 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -31.824 6.684 -18.641 1.00 0.00 H new ATOM 905 N GLN A 60 -29.271 7.868 -19.061 1.00 0.00 N ATOM 906 CA GLN A 60 -27.856 7.980 -18.695 1.00 0.00 C ATOM 907 C GLN A 60 -27.184 9.159 -19.412 1.00 0.00 C ATOM 908 O GLN A 60 -26.541 9.996 -18.772 1.00 0.00 O ATOM 909 CB GLN A 60 -27.159 6.634 -18.970 1.00 0.00 C ATOM 910 CG GLN A 60 -25.742 6.519 -18.386 1.00 0.00 C ATOM 911 CD GLN A 60 -24.638 7.104 -19.272 1.00 0.00 C ATOM 912 OE1 GLN A 60 -24.120 6.449 -20.166 1.00 0.00 O ATOM 913 NE2 GLN A 60 -24.226 8.339 -19.097 1.00 0.00 N ATOM 0 H GLN A 60 -29.523 6.950 -19.428 1.00 0.00 H new ATOM 0 HA GLN A 60 -27.767 8.196 -17.630 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -27.773 5.831 -18.562 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -27.108 6.479 -20.048 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -25.719 7.023 -17.420 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -25.523 5.467 -18.202 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -24.636 8.914 -18.361 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -23.496 8.723 -19.697 1.00 0.00 H new ATOM 922 N SER A 61 -27.341 9.215 -20.738 1.00 0.00 N ATOM 923 CA SER A 61 -26.828 10.295 -21.595 1.00 0.00 C ATOM 924 C SER A 61 -27.318 11.677 -21.139 1.00 0.00 C ATOM 925 O SER A 61 -26.516 12.595 -20.934 1.00 0.00 O ATOM 926 CB SER A 61 -27.187 10.035 -23.067 1.00 0.00 C ATOM 927 OG SER A 61 -26.861 8.707 -23.454 1.00 0.00 O ATOM 0 H SER A 61 -27.840 8.495 -21.260 1.00 0.00 H new ATOM 0 HA SER A 61 -25.742 10.299 -21.501 1.00 0.00 H new ATOM 0 HB2 SER A 61 -28.252 10.209 -23.219 1.00 0.00 H new ATOM 0 HB3 SER A 61 -26.655 10.742 -23.703 1.00 0.00 H new ATOM 0 HG SER A 61 -27.601 8.108 -23.223 1.00 0.00 H new ATOM 933 N ALA A 62 -28.632 11.798 -20.915 1.00 0.00 N ATOM 934 CA ALA A 62 -29.280 12.947 -20.300 1.00 0.00 C ATOM 935 C ALA A 62 -28.671 13.268 -18.928 1.00 0.00 C ATOM 936 O ALA A 62 -28.008 14.284 -18.818 1.00 0.00 O ATOM 937 CB ALA A 62 -30.795 12.707 -20.243 1.00 0.00 C ATOM 0 H ALA A 62 -29.294 11.065 -21.170 1.00 0.00 H new ATOM 0 HA ALA A 62 -29.106 13.833 -20.911 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -31.282 13.566 -19.783 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -31.180 12.570 -21.253 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -31.000 11.814 -19.652 1.00 0.00 H new ATOM 943 N LEU A 63 -28.802 12.403 -17.917 1.00 0.00 N ATOM 944 CA LEU A 63 -28.235 12.537 -16.566 1.00 0.00 C ATOM 945 C LEU A 63 -26.839 13.164 -16.590 1.00 0.00 C ATOM 946 O LEU A 63 -26.638 14.231 -16.015 1.00 0.00 O ATOM 947 CB LEU A 63 -28.186 11.147 -15.887 1.00 0.00 C ATOM 948 CG LEU A 63 -29.386 10.726 -15.017 1.00 0.00 C ATOM 949 CD1 LEU A 63 -30.743 11.299 -15.418 1.00 0.00 C ATOM 950 CD2 LEU A 63 -29.499 9.201 -14.991 1.00 0.00 C ATOM 0 H LEU A 63 -29.336 11.541 -18.023 1.00 0.00 H new ATOM 0 HA LEU A 63 -28.879 13.205 -15.995 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -28.060 10.398 -16.668 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -27.292 11.111 -15.264 1.00 0.00 H new ATOM 0 HG LEU A 63 -29.163 11.148 -14.037 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -31.509 10.933 -14.734 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -30.706 12.387 -15.373 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -30.984 10.986 -16.434 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -30.349 8.910 -14.374 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -29.642 8.829 -16.006 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -28.586 8.776 -14.574 1.00 0.00 H new ATOM 962 N ALA A 64 -25.898 12.550 -17.310 1.00 0.00 N ATOM 963 CA ALA A 64 -24.561 13.101 -17.486 1.00 0.00 C ATOM 964 C ALA A 64 -24.571 14.535 -18.054 1.00 0.00 C ATOM 965 O ALA A 64 -24.111 15.464 -17.390 1.00 0.00 O ATOM 966 CB ALA A 64 -23.736 12.130 -18.338 1.00 0.00 C ATOM 0 H ALA A 64 -26.045 11.659 -17.785 1.00 0.00 H new ATOM 0 HA ALA A 64 -24.091 13.201 -16.508 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -22.732 12.531 -18.477 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -23.675 11.165 -17.834 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -24.214 12.002 -19.309 1.00 0.00 H new ATOM 972 N THR A 65 -25.089 14.722 -19.273 1.00 0.00 N ATOM 973 CA THR A 65 -25.138 16.032 -19.956 1.00 0.00 C ATOM 974 C THR A 65 -25.841 17.121 -19.137 1.00 0.00 C ATOM 975 O THR A 65 -25.276 18.186 -18.884 1.00 0.00 O ATOM 976 CB THR A 65 -25.791 15.908 -21.340 1.00 0.00 C ATOM 977 OG1 THR A 65 -25.270 14.804 -22.050 1.00 0.00 O ATOM 978 CG2 THR A 65 -25.508 17.143 -22.198 1.00 0.00 C ATOM 0 H THR A 65 -25.492 13.964 -19.824 1.00 0.00 H new ATOM 0 HA THR A 65 -24.100 16.345 -20.072 1.00 0.00 H new ATOM 0 HB THR A 65 -26.860 15.792 -21.163 1.00 0.00 H new ATOM 0 HG1 THR A 65 -25.736 13.988 -21.773 1.00 0.00 H new ATOM 0 HG21 THR A 65 -25.983 17.026 -23.172 1.00 0.00 H new ATOM 0 HG22 THR A 65 -25.907 18.029 -21.704 1.00 0.00 H new ATOM 0 HG23 THR A 65 -24.432 17.255 -22.330 1.00 0.00 H new ATOM 986 N VAL A 66 -27.074 16.841 -18.709 1.00 0.00 N ATOM 987 CA VAL A 66 -27.955 17.698 -17.911 1.00 0.00 C ATOM 988 C VAL A 66 -27.241 18.124 -16.637 1.00 0.00 C ATOM 989 O VAL A 66 -27.038 19.311 -16.429 1.00 0.00 O ATOM 990 CB VAL A 66 -29.274 16.979 -17.532 1.00 0.00 C ATOM 991 CG1 VAL A 66 -30.209 17.908 -16.750 1.00 0.00 C ATOM 992 CG2 VAL A 66 -30.101 16.438 -18.703 1.00 0.00 C ATOM 0 H VAL A 66 -27.514 15.947 -18.926 1.00 0.00 H new ATOM 0 HA VAL A 66 -28.203 18.568 -18.519 1.00 0.00 H new ATOM 0 HB VAL A 66 -28.922 16.132 -16.943 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -31.126 17.374 -16.499 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -29.716 18.233 -15.834 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -30.451 18.778 -17.360 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -31.001 15.956 -18.321 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -30.382 17.261 -19.361 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -29.510 15.713 -19.262 1.00 0.00 H new ATOM 1002 N PHE A 67 -26.885 17.184 -15.758 1.00 0.00 N ATOM 1003 CA PHE A 67 -26.213 17.481 -14.494 1.00 0.00 C ATOM 1004 C PHE A 67 -24.885 18.249 -14.655 1.00 0.00 C ATOM 1005 O PHE A 67 -24.607 19.154 -13.868 1.00 0.00 O ATOM 1006 CB PHE A 67 -26.057 16.226 -13.641 1.00 0.00 C ATOM 1007 CG PHE A 67 -27.297 15.364 -13.378 1.00 0.00 C ATOM 1008 CD1 PHE A 67 -28.603 15.752 -13.760 1.00 0.00 C ATOM 1009 CD2 PHE A 67 -27.115 14.096 -12.789 1.00 0.00 C ATOM 1010 CE1 PHE A 67 -29.678 14.857 -13.647 1.00 0.00 C ATOM 1011 CE2 PHE A 67 -28.204 13.226 -12.608 1.00 0.00 C ATOM 1012 CZ PHE A 67 -29.484 13.598 -13.055 1.00 0.00 C ATOM 0 H PHE A 67 -27.057 16.189 -15.906 1.00 0.00 H new ATOM 0 HA PHE A 67 -26.869 18.169 -13.960 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -25.307 15.593 -14.116 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -25.653 16.529 -12.675 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -28.774 16.747 -14.143 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -26.128 13.790 -12.474 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -30.654 15.136 -14.015 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -28.057 12.271 -12.125 1.00 0.00 H new ATOM 0 HZ PHE A 67 -30.316 12.918 -12.944 1.00 0.00 H new ATOM 1022 N ASN A 68 -24.044 17.883 -15.637 1.00 0.00 N ATOM 1023 CA ASN A 68 -22.845 18.649 -16.018 1.00 0.00 C ATOM 1024 C ASN A 68 -23.171 20.110 -16.380 1.00 0.00 C ATOM 1025 O ASN A 68 -22.407 21.013 -16.035 1.00 0.00 O ATOM 1026 CB ASN A 68 -22.081 17.904 -17.136 1.00 0.00 C ATOM 1027 CG ASN A 68 -20.618 18.301 -17.322 1.00 0.00 C ATOM 1028 OD1 ASN A 68 -19.774 17.468 -17.625 1.00 0.00 O ATOM 1029 ND2 ASN A 68 -20.236 19.550 -17.164 1.00 0.00 N ATOM 0 H ASN A 68 -24.179 17.039 -16.194 1.00 0.00 H new ATOM 0 HA ASN A 68 -22.187 18.715 -15.152 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -22.124 16.835 -16.929 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -22.604 18.067 -18.078 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -19.257 19.804 -17.294 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -20.919 20.264 -16.912 1.00 0.00 H new ATOM 1036 N LEU A 69 -24.296 20.345 -17.063 1.00 0.00 N ATOM 1037 CA LEU A 69 -24.898 21.671 -17.224 1.00 0.00 C ATOM 1038 C LEU A 69 -25.252 22.261 -15.837 1.00 0.00 C ATOM 1039 O LEU A 69 -24.636 23.249 -15.432 1.00 0.00 O ATOM 1040 CB LEU A 69 -26.048 21.551 -18.258 1.00 0.00 C ATOM 1041 CG LEU A 69 -27.394 22.234 -17.958 1.00 0.00 C ATOM 1042 CD1 LEU A 69 -27.276 23.761 -17.973 1.00 0.00 C ATOM 1043 CD2 LEU A 69 -28.420 21.858 -19.027 1.00 0.00 C ATOM 0 H LEU A 69 -24.823 19.605 -17.527 1.00 0.00 H new ATOM 0 HA LEU A 69 -24.212 22.409 -17.640 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -25.682 21.947 -19.205 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -26.244 20.490 -18.411 1.00 0.00 H new ATOM 0 HG LEU A 69 -27.701 21.898 -16.968 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -28.248 24.203 -17.757 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -26.557 24.078 -17.217 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -26.938 24.090 -18.956 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -29.370 22.346 -18.807 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -28.063 22.183 -20.004 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -28.560 20.777 -19.033 1.00 0.00 H new