USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 442 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 MET CE :methyl -168:sc= -1.6 (180deg=-1.78) USER MOD Set 1.2: A 55 LYS NZ :NH3+ -153:sc= 0.0724 (180deg=0.0022) USER MOD Single : A 8 MET CE :methyl 160:sc= -0.0365 (180deg=-0.974) USER MOD Single : A 11 ASN : amide:sc=-0.00469 X(o=-0.0047,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 170:sc= 0.507 (180deg=0.197!) USER MOD Single : A 19 TYR OH : rot 110:sc= 0 USER MOD Single : A 23 SER OG : rot 17:sc= 0.902 USER MOD Single : A 36 SER OG : rot -51:sc= 0.862 USER MOD Single : A 42 GLN : amide:sc= 1.07 K(o=1.1,f=-0.034) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.264 K(o=-0.26,f=-5.6!) USER MOD Single : A 51 LYS NZ :NH3+ -113:sc= 1.88 (180deg=0.478) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 61 SER OG : rot 79:sc= 0.781 USER MOD Single : A 65 THR OG1 : rot 79:sc= 1.12 USER MOD Single : A 68 ASN : amide:sc= -0.173 X(o=-0.17,f=0) USER MOD ----------------------------------------------------------------- ATOM 69 N PRO A 6 -31.094 3.634 -14.221 1.00 0.00 N ATOM 70 CA PRO A 6 -31.105 5.033 -14.654 1.00 0.00 C ATOM 71 C PRO A 6 -32.477 5.519 -15.121 1.00 0.00 C ATOM 72 O PRO A 6 -32.786 6.693 -14.922 1.00 0.00 O ATOM 73 CB PRO A 6 -30.086 5.142 -15.795 1.00 0.00 C ATOM 74 CG PRO A 6 -30.051 3.719 -16.328 1.00 0.00 C ATOM 75 CD PRO A 6 -30.200 2.875 -15.073 1.00 0.00 C ATOM 0 HA PRO A 6 -30.851 5.670 -13.806 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -30.402 5.855 -16.557 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -29.109 5.468 -15.439 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -30.859 3.534 -17.036 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -29.117 3.506 -16.848 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -30.612 1.893 -15.303 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -29.237 2.711 -14.590 1.00 0.00 H new ATOM 83 N VAL A 7 -33.319 4.646 -15.699 1.00 0.00 N ATOM 84 CA VAL A 7 -34.703 5.025 -16.035 1.00 0.00 C ATOM 85 C VAL A 7 -35.395 5.547 -14.788 1.00 0.00 C ATOM 86 O VAL A 7 -35.954 6.632 -14.788 1.00 0.00 O ATOM 87 CB VAL A 7 -35.570 3.912 -16.655 1.00 0.00 C ATOM 88 CG1 VAL A 7 -36.982 4.387 -17.015 1.00 0.00 C ATOM 89 CG2 VAL A 7 -34.821 3.182 -17.757 1.00 0.00 C ATOM 0 H VAL A 7 -33.071 3.687 -15.941 1.00 0.00 H new ATOM 0 HA VAL A 7 -34.608 5.786 -16.809 1.00 0.00 H new ATOM 0 HB VAL A 7 -35.754 3.157 -15.891 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -37.545 3.560 -17.447 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -37.488 4.739 -16.116 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -36.919 5.200 -17.738 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -35.458 2.403 -18.175 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -34.549 3.888 -18.541 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -33.918 2.731 -17.346 1.00 0.00 H new ATOM 99 N MET A 8 -35.309 4.786 -13.705 1.00 0.00 N ATOM 100 CA MET A 8 -35.940 5.080 -12.428 1.00 0.00 C ATOM 101 C MET A 8 -35.580 6.455 -11.848 1.00 0.00 C ATOM 102 O MET A 8 -36.479 7.219 -11.494 1.00 0.00 O ATOM 103 CB MET A 8 -35.601 3.926 -11.483 1.00 0.00 C ATOM 104 CG MET A 8 -36.620 3.784 -10.348 1.00 0.00 C ATOM 105 SD MET A 8 -36.032 4.058 -8.648 1.00 0.00 S ATOM 106 CE MET A 8 -35.892 5.863 -8.570 1.00 0.00 C ATOM 0 H MET A 8 -34.778 3.915 -13.693 1.00 0.00 H new ATOM 0 HA MET A 8 -37.018 5.154 -12.570 1.00 0.00 H new ATOM 0 HB2 MET A 8 -35.560 2.996 -12.050 1.00 0.00 H new ATOM 0 HB3 MET A 8 -34.609 4.086 -11.060 1.00 0.00 H new ATOM 0 HG2 MET A 8 -37.434 4.483 -10.538 1.00 0.00 H new ATOM 0 HG3 MET A 8 -37.043 2.781 -10.400 1.00 0.00 H new ATOM 0 HE1 MET A 8 -35.893 6.183 -7.528 1.00 0.00 H new ATOM 0 HE2 MET A 8 -34.962 6.177 -9.045 1.00 0.00 H new ATOM 0 HE3 MET A 8 -36.736 6.316 -9.090 1.00 0.00 H new ATOM 116 N ILE A 9 -34.289 6.778 -11.704 1.00 0.00 N ATOM 117 CA ILE A 9 -33.863 8.132 -11.318 1.00 0.00 C ATOM 118 C ILE A 9 -34.329 9.227 -12.283 1.00 0.00 C ATOM 119 O ILE A 9 -34.867 10.228 -11.823 1.00 0.00 O ATOM 120 CB ILE A 9 -32.371 8.241 -10.951 1.00 0.00 C ATOM 121 CG1 ILE A 9 -31.448 7.633 -12.018 1.00 0.00 C ATOM 122 CG2 ILE A 9 -32.139 7.575 -9.582 1.00 0.00 C ATOM 123 CD1 ILE A 9 -29.994 8.089 -11.897 1.00 0.00 C ATOM 0 H ILE A 9 -33.521 6.122 -11.848 1.00 0.00 H new ATOM 0 HA ILE A 9 -34.397 8.324 -10.387 1.00 0.00 H new ATOM 0 HB ILE A 9 -32.115 9.299 -10.899 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -31.487 6.546 -11.944 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -31.823 7.899 -13.006 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -31.085 7.648 -9.316 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -32.740 8.079 -8.826 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -32.428 6.525 -9.634 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -29.399 7.621 -12.682 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -29.943 9.173 -12.001 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -29.602 7.799 -10.922 1.00 0.00 H new ATOM 135 N LEU A 10 -34.122 9.083 -13.600 1.00 0.00 N ATOM 136 CA LEU A 10 -34.600 10.063 -14.591 1.00 0.00 C ATOM 137 C LEU A 10 -36.106 10.333 -14.518 1.00 0.00 C ATOM 138 O LEU A 10 -36.556 11.479 -14.491 1.00 0.00 O ATOM 139 CB LEU A 10 -34.024 9.727 -15.978 1.00 0.00 C ATOM 140 CG LEU A 10 -34.787 9.606 -17.310 1.00 0.00 C ATOM 141 CD1 LEU A 10 -35.800 8.481 -17.419 1.00 0.00 C ATOM 142 CD2 LEU A 10 -35.400 10.910 -17.758 1.00 0.00 C ATOM 0 H LEU A 10 -33.623 8.292 -14.007 1.00 0.00 H new ATOM 0 HA LEU A 10 -34.204 11.047 -14.339 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -33.254 10.477 -16.157 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -33.515 8.771 -15.852 1.00 0.00 H new ATOM 0 HG LEU A 10 -33.987 9.327 -17.996 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -36.267 8.506 -18.404 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -35.297 7.524 -17.280 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -36.565 8.604 -16.652 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -35.924 10.760 -18.702 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -36.105 11.259 -17.003 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -34.615 11.654 -17.893 1.00 0.00 H new ATOM 154 N ASN A 11 -36.859 9.249 -14.410 1.00 0.00 N ATOM 155 CA ASN A 11 -38.300 9.197 -14.215 1.00 0.00 C ATOM 156 C ASN A 11 -38.728 10.000 -12.979 1.00 0.00 C ATOM 157 O ASN A 11 -39.579 10.881 -13.065 1.00 0.00 O ATOM 158 CB ASN A 11 -38.647 7.710 -14.071 1.00 0.00 C ATOM 159 CG ASN A 11 -40.090 7.448 -13.676 1.00 0.00 C ATOM 160 OD1 ASN A 11 -40.983 7.370 -14.508 1.00 0.00 O ATOM 161 ND2 ASN A 11 -40.369 7.306 -12.399 1.00 0.00 N ATOM 0 H ASN A 11 -36.450 8.316 -14.460 1.00 0.00 H new ATOM 0 HA ASN A 11 -38.832 9.647 -15.053 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -38.443 7.207 -15.016 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -37.990 7.265 -13.324 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -41.329 7.131 -12.103 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -39.625 7.371 -11.704 1.00 0.00 H new ATOM 168 N GLU A 12 -38.159 9.660 -11.822 1.00 0.00 N ATOM 169 CA GLU A 12 -38.315 10.384 -10.566 1.00 0.00 C ATOM 170 C GLU A 12 -37.933 11.875 -10.649 1.00 0.00 C ATOM 171 O GLU A 12 -38.776 12.746 -10.436 1.00 0.00 O ATOM 172 CB GLU A 12 -37.536 9.620 -9.490 1.00 0.00 C ATOM 173 CG GLU A 12 -37.550 10.273 -8.102 1.00 0.00 C ATOM 174 CD GLU A 12 -38.976 10.358 -7.519 1.00 0.00 C ATOM 175 OE1 GLU A 12 -39.733 11.289 -7.889 1.00 0.00 O ATOM 176 OE2 GLU A 12 -39.355 9.488 -6.697 1.00 0.00 O ATOM 0 H GLU A 12 -37.555 8.843 -11.734 1.00 0.00 H new ATOM 0 HA GLU A 12 -39.373 10.418 -10.305 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -37.949 8.614 -9.407 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -36.501 9.514 -9.816 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -36.915 9.701 -7.426 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -37.125 11.274 -8.168 1.00 0.00 H new ATOM 183 N LEU A 13 -36.660 12.187 -10.924 1.00 0.00 N ATOM 184 CA LEU A 13 -36.143 13.555 -11.067 1.00 0.00 C ATOM 185 C LEU A 13 -36.871 14.421 -12.112 1.00 0.00 C ATOM 186 O LEU A 13 -36.850 15.648 -11.984 1.00 0.00 O ATOM 187 CB LEU A 13 -34.609 13.552 -11.254 1.00 0.00 C ATOM 188 CG LEU A 13 -33.801 13.000 -10.055 1.00 0.00 C ATOM 189 CD1 LEU A 13 -32.305 13.279 -10.245 1.00 0.00 C ATOM 190 CD2 LEU A 13 -34.235 13.583 -8.707 1.00 0.00 C ATOM 0 H LEU A 13 -35.941 11.476 -11.057 1.00 0.00 H new ATOM 0 HA LEU A 13 -36.369 14.053 -10.124 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -34.368 12.961 -12.137 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -34.281 14.572 -11.454 1.00 0.00 H new ATOM 0 HG LEU A 13 -33.999 11.928 -10.034 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -31.750 12.885 -9.394 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -31.958 12.797 -11.159 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -32.142 14.354 -10.318 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -33.627 13.152 -7.912 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -34.103 14.665 -8.719 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -35.284 13.347 -8.530 1.00 0.00 H new ATOM 202 N ARG A 14 -37.529 13.800 -13.107 1.00 0.00 N ATOM 203 CA ARG A 14 -38.383 14.417 -14.147 1.00 0.00 C ATOM 204 C ARG A 14 -37.901 15.803 -14.645 1.00 0.00 C ATOM 205 O ARG A 14 -38.685 16.754 -14.620 1.00 0.00 O ATOM 206 CB ARG A 14 -39.860 14.358 -13.679 1.00 0.00 C ATOM 207 CG ARG A 14 -40.230 15.219 -12.451 1.00 0.00 C ATOM 208 CD ARG A 14 -41.557 14.793 -11.808 1.00 0.00 C ATOM 209 NE ARG A 14 -41.376 13.664 -10.872 1.00 0.00 N ATOM 210 CZ ARG A 14 -42.310 13.007 -10.214 1.00 0.00 C ATOM 211 NH1 ARG A 14 -43.580 13.227 -10.413 1.00 0.00 N ATOM 212 NH2 ARG A 14 -41.997 12.111 -9.322 1.00 0.00 N ATOM 0 H ARG A 14 -37.477 12.787 -13.216 1.00 0.00 H new ATOM 0 HA ARG A 14 -38.296 13.829 -15.061 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -40.494 14.662 -14.512 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -40.105 13.320 -13.454 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -39.433 15.150 -11.710 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -40.296 16.265 -12.752 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -41.992 15.640 -11.277 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -42.264 14.509 -12.588 1.00 0.00 H new ATOM 0 HE ARG A 14 -40.416 13.357 -10.717 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -43.876 13.925 -11.095 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -44.277 12.701 -9.887 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -41.017 11.909 -9.124 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -42.732 11.611 -8.821 1.00 0.00 H new ATOM 226 N PRO A 15 -36.620 15.963 -15.052 1.00 0.00 N ATOM 227 CA PRO A 15 -35.901 17.252 -15.074 1.00 0.00 C ATOM 228 C PRO A 15 -36.260 18.211 -16.238 1.00 0.00 C ATOM 229 O PRO A 15 -35.381 18.765 -16.900 1.00 0.00 O ATOM 230 CB PRO A 15 -34.416 16.851 -15.040 1.00 0.00 C ATOM 231 CG PRO A 15 -34.396 15.543 -15.825 1.00 0.00 C ATOM 232 CD PRO A 15 -35.676 14.879 -15.332 1.00 0.00 C ATOM 0 HA PRO A 15 -36.195 17.866 -14.223 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -33.783 17.609 -15.502 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -34.058 16.715 -14.020 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -34.408 15.710 -16.902 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -33.512 14.945 -15.605 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -36.076 14.200 -16.085 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -35.487 14.287 -14.436 1.00 0.00 H new ATOM 240 N GLY A 16 -37.552 18.418 -16.516 1.00 0.00 N ATOM 241 CA GLY A 16 -38.046 19.319 -17.567 1.00 0.00 C ATOM 242 C GLY A 16 -38.142 18.656 -18.947 1.00 0.00 C ATOM 243 O GLY A 16 -37.911 19.314 -19.964 1.00 0.00 O ATOM 0 H GLY A 16 -38.302 17.953 -16.005 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -39.030 19.691 -17.282 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -37.385 20.183 -17.633 1.00 0.00 H new ATOM 247 N LEU A 17 -38.410 17.346 -18.984 1.00 0.00 N ATOM 248 CA LEU A 17 -38.404 16.509 -20.176 1.00 0.00 C ATOM 249 C LEU A 17 -39.787 16.270 -20.808 1.00 0.00 C ATOM 250 O LEU A 17 -40.832 16.481 -20.186 1.00 0.00 O ATOM 251 CB LEU A 17 -37.721 15.185 -19.814 1.00 0.00 C ATOM 252 CG LEU A 17 -38.205 14.487 -18.531 1.00 0.00 C ATOM 253 CD1 LEU A 17 -39.655 14.011 -18.522 1.00 0.00 C ATOM 254 CD2 LEU A 17 -37.319 13.279 -18.370 1.00 0.00 C ATOM 0 H LEU A 17 -38.647 16.822 -18.142 1.00 0.00 H new ATOM 0 HA LEU A 17 -37.854 17.043 -20.951 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -37.853 14.495 -20.647 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -36.651 15.369 -19.719 1.00 0.00 H new ATOM 0 HG LEU A 17 -38.152 15.222 -17.728 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -39.876 13.536 -17.566 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -40.319 14.864 -18.666 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -39.807 13.293 -19.328 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -37.608 12.733 -17.472 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -37.426 12.631 -19.240 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -36.281 13.599 -18.281 1.00 0.00 H new ATOM 266 N LYS A 18 -39.777 15.756 -22.040 1.00 0.00 N ATOM 267 CA LYS A 18 -40.766 14.812 -22.573 1.00 0.00 C ATOM 268 C LYS A 18 -40.124 13.662 -23.348 1.00 0.00 C ATOM 269 O LYS A 18 -39.062 13.841 -23.949 1.00 0.00 O ATOM 270 CB LYS A 18 -41.901 15.503 -23.331 1.00 0.00 C ATOM 271 CG LYS A 18 -41.584 16.004 -24.756 1.00 0.00 C ATOM 272 CD LYS A 18 -41.935 14.980 -25.849 1.00 0.00 C ATOM 273 CE LYS A 18 -43.449 14.714 -25.926 1.00 0.00 C ATOM 274 NZ LYS A 18 -43.744 13.423 -26.587 1.00 0.00 N ATOM 0 H LYS A 18 -39.054 15.993 -22.720 1.00 0.00 H new ATOM 0 HA LYS A 18 -41.242 14.349 -21.709 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -42.739 14.809 -23.394 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -42.236 16.354 -22.738 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -42.134 16.927 -24.941 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -40.523 16.247 -24.822 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -41.581 15.344 -26.814 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -41.412 14.044 -25.650 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -43.870 14.713 -24.921 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -43.933 15.522 -26.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -44.752 13.197 -26.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -43.518 13.492 -27.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -43.169 12.672 -26.154 1.00 0.00 H new ATOM 288 N TYR A 19 -40.786 12.503 -23.347 1.00 0.00 N ATOM 289 CA TYR A 19 -40.351 11.290 -24.044 1.00 0.00 C ATOM 290 C TYR A 19 -41.163 11.034 -25.322 1.00 0.00 C ATOM 291 O TYR A 19 -42.388 11.176 -25.343 1.00 0.00 O ATOM 292 CB TYR A 19 -40.429 10.032 -23.164 1.00 0.00 C ATOM 293 CG TYR A 19 -39.928 10.126 -21.749 1.00 0.00 C ATOM 294 CD1 TYR A 19 -40.762 10.628 -20.734 1.00 0.00 C ATOM 295 CD2 TYR A 19 -38.647 9.643 -21.441 1.00 0.00 C ATOM 296 CE1 TYR A 19 -40.301 10.665 -19.409 1.00 0.00 C ATOM 297 CE2 TYR A 19 -38.168 9.707 -20.126 1.00 0.00 C ATOM 298 CZ TYR A 19 -39.007 10.199 -19.097 1.00 0.00 C ATOM 299 OH TYR A 19 -38.595 10.224 -17.805 1.00 0.00 O ATOM 0 H TYR A 19 -41.666 12.379 -22.846 1.00 0.00 H new ATOM 0 HA TYR A 19 -39.308 11.477 -24.301 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -41.471 9.714 -23.129 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -39.871 9.240 -23.664 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -41.753 10.984 -20.973 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -38.029 9.221 -22.220 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -40.938 11.051 -18.627 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -37.163 9.383 -19.898 1.00 0.00 H new ATOM 0 HH TYR A 19 -38.535 9.308 -17.463 1.00 0.00 H new ATOM 309 N ASP A 20 -40.467 10.677 -26.397 1.00 0.00 N ATOM 310 CA ASP A 20 -41.028 10.110 -27.634 1.00 0.00 C ATOM 311 C ASP A 20 -40.354 8.771 -27.958 1.00 0.00 C ATOM 312 O ASP A 20 -39.135 8.641 -27.838 1.00 0.00 O ATOM 313 CB ASP A 20 -40.925 11.084 -28.821 1.00 0.00 C ATOM 314 CG ASP A 20 -42.077 12.088 -28.834 1.00 0.00 C ATOM 315 OD1 ASP A 20 -43.253 11.671 -28.927 1.00 0.00 O ATOM 316 OD2 ASP A 20 -41.840 13.309 -28.695 1.00 0.00 O ATOM 0 H ASP A 20 -39.453 10.776 -26.439 1.00 0.00 H new ATOM 0 HA ASP A 20 -42.091 9.936 -27.464 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -39.977 11.619 -28.770 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -40.923 10.521 -29.754 1.00 0.00 H new ATOM 321 N PHE A 21 -41.140 7.762 -28.339 1.00 0.00 N ATOM 322 CA PHE A 21 -40.670 6.397 -28.589 1.00 0.00 C ATOM 323 C PHE A 21 -40.599 6.116 -30.095 1.00 0.00 C ATOM 324 O PHE A 21 -41.468 6.476 -30.895 1.00 0.00 O ATOM 325 CB PHE A 21 -41.583 5.389 -27.877 1.00 0.00 C ATOM 326 CG PHE A 21 -41.289 3.945 -28.247 1.00 0.00 C ATOM 327 CD1 PHE A 21 -40.070 3.346 -27.879 1.00 0.00 C ATOM 328 CD2 PHE A 21 -42.205 3.215 -29.028 1.00 0.00 C ATOM 329 CE1 PHE A 21 -39.768 2.037 -28.279 1.00 0.00 C ATOM 330 CE2 PHE A 21 -41.901 1.904 -29.438 1.00 0.00 C ATOM 331 CZ PHE A 21 -40.682 1.312 -29.064 1.00 0.00 C ATOM 0 H PHE A 21 -42.143 7.873 -28.486 1.00 0.00 H new ATOM 0 HA PHE A 21 -39.663 6.291 -28.186 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -41.475 5.510 -26.799 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -42.621 5.615 -28.120 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -39.360 3.900 -27.283 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -43.145 3.663 -29.314 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -38.833 1.585 -27.984 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -42.606 1.351 -30.041 1.00 0.00 H new ATOM 0 HZ PHE A 21 -40.449 0.305 -29.378 1.00 0.00 H new ATOM 341 N LEU A 22 -39.476 5.503 -30.436 1.00 0.00 N ATOM 342 CA LEU A 22 -38.835 5.308 -31.724 1.00 0.00 C ATOM 343 C LEU A 22 -38.408 3.829 -31.769 1.00 0.00 C ATOM 344 O LEU A 22 -38.316 3.136 -30.760 1.00 0.00 O ATOM 345 CB LEU A 22 -37.574 6.204 -31.843 1.00 0.00 C ATOM 346 CG LEU A 22 -37.659 7.724 -32.040 1.00 0.00 C ATOM 347 CD1 LEU A 22 -38.304 8.145 -33.344 1.00 0.00 C ATOM 348 CD2 LEU A 22 -38.397 8.453 -30.934 1.00 0.00 C ATOM 0 H LEU A 22 -38.913 5.068 -29.705 1.00 0.00 H new ATOM 0 HA LEU A 22 -39.511 5.567 -32.539 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -36.987 6.039 -30.939 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -36.991 5.813 -32.677 1.00 0.00 H new ATOM 0 HG LEU A 22 -36.607 8.008 -32.036 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -38.325 9.233 -33.405 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -37.729 7.746 -34.180 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -39.323 7.759 -33.387 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -38.412 9.521 -31.149 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -39.420 8.081 -30.872 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -37.891 8.281 -29.984 1.00 0.00 H new ATOM 360 N SER A 23 -38.140 3.303 -32.948 1.00 0.00 N ATOM 361 CA SER A 23 -37.296 2.108 -33.087 1.00 0.00 C ATOM 362 C SER A 23 -36.363 2.188 -34.297 1.00 0.00 C ATOM 363 O SER A 23 -36.581 2.956 -35.234 1.00 0.00 O ATOM 364 CB SER A 23 -38.154 0.834 -33.126 1.00 0.00 C ATOM 365 OG SER A 23 -38.723 0.588 -31.850 1.00 0.00 O ATOM 0 H SER A 23 -38.490 3.676 -33.830 1.00 0.00 H new ATOM 0 HA SER A 23 -36.657 2.064 -32.205 1.00 0.00 H new ATOM 0 HB2 SER A 23 -38.943 0.941 -33.870 1.00 0.00 H new ATOM 0 HB3 SER A 23 -37.543 -0.016 -33.430 1.00 0.00 H new ATOM 0 HG SER A 23 -38.667 1.400 -31.305 1.00 0.00 H new ATOM 490 N PHE A 33 -34.686 -0.769 -30.060 1.00 0.00 N ATOM 491 CA PHE A 33 -35.898 -0.008 -29.790 1.00 0.00 C ATOM 492 C PHE A 33 -35.408 1.254 -29.092 1.00 0.00 C ATOM 493 O PHE A 33 -34.459 1.232 -28.309 1.00 0.00 O ATOM 494 CB PHE A 33 -36.900 -0.685 -28.852 1.00 0.00 C ATOM 495 CG PHE A 33 -37.364 -2.111 -29.057 1.00 0.00 C ATOM 496 CD1 PHE A 33 -36.926 -2.942 -30.109 1.00 0.00 C ATOM 497 CD2 PHE A 33 -38.272 -2.614 -28.109 1.00 0.00 C ATOM 498 CE1 PHE A 33 -37.340 -4.283 -30.165 1.00 0.00 C ATOM 499 CE2 PHE A 33 -38.695 -3.949 -28.167 1.00 0.00 C ATOM 500 CZ PHE A 33 -38.221 -4.791 -29.191 1.00 0.00 C ATOM 0 HA PHE A 33 -36.428 0.137 -30.731 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -36.473 -0.636 -27.850 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -37.795 -0.062 -28.848 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -36.272 -2.547 -30.872 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -38.647 -1.967 -27.330 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -36.982 -4.925 -30.956 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -39.383 -4.331 -27.428 1.00 0.00 H new ATOM 0 HZ PHE A 33 -38.532 -5.824 -29.229 1.00 0.00 H new ATOM 510 N VAL A 34 -35.940 2.391 -29.493 1.00 0.00 N ATOM 511 CA VAL A 34 -35.282 3.672 -29.253 1.00 0.00 C ATOM 512 C VAL A 34 -36.172 4.592 -28.431 1.00 0.00 C ATOM 513 O VAL A 34 -37.336 4.823 -28.738 1.00 0.00 O ATOM 514 CB VAL A 34 -34.867 4.251 -30.605 1.00 0.00 C ATOM 515 CG1 VAL A 34 -34.172 5.608 -30.510 1.00 0.00 C ATOM 516 CG2 VAL A 34 -33.909 3.299 -31.313 1.00 0.00 C ATOM 0 H VAL A 34 -36.829 2.460 -29.989 1.00 0.00 H new ATOM 0 HA VAL A 34 -34.381 3.547 -28.653 1.00 0.00 H new ATOM 0 HB VAL A 34 -35.797 4.383 -31.158 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -33.908 5.953 -31.510 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -34.843 6.329 -30.043 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -33.268 5.512 -29.909 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -33.620 3.722 -32.275 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -33.020 3.154 -30.699 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -34.401 2.339 -31.472 1.00 0.00 H new ATOM 526 N MET A 35 -35.610 5.158 -27.372 1.00 0.00 N ATOM 527 CA MET A 35 -36.273 6.196 -26.591 1.00 0.00 C ATOM 528 C MET A 35 -35.575 7.510 -26.841 1.00 0.00 C ATOM 529 O MET A 35 -34.375 7.651 -26.625 1.00 0.00 O ATOM 530 CB MET A 35 -36.284 5.853 -25.098 1.00 0.00 C ATOM 531 CG MET A 35 -37.348 4.811 -24.733 1.00 0.00 C ATOM 532 SD MET A 35 -39.103 5.215 -24.996 1.00 0.00 S ATOM 533 CE MET A 35 -39.173 7.019 -24.854 1.00 0.00 C ATOM 0 H MET A 35 -34.682 4.911 -27.029 1.00 0.00 H new ATOM 0 HA MET A 35 -37.315 6.270 -26.904 1.00 0.00 H new ATOM 0 HB2 MET A 35 -35.302 5.479 -24.809 1.00 0.00 H new ATOM 0 HB3 MET A 35 -36.460 6.762 -24.523 1.00 0.00 H new ATOM 0 HG2 MET A 35 -37.130 3.905 -25.299 1.00 0.00 H new ATOM 0 HG3 MET A 35 -37.221 4.566 -23.679 1.00 0.00 H new ATOM 0 HE1 MET A 35 -40.213 7.338 -24.785 1.00 0.00 H new ATOM 0 HE2 MET A 35 -38.637 7.335 -23.959 1.00 0.00 H new ATOM 0 HE3 MET A 35 -38.712 7.471 -25.732 1.00 0.00 H new ATOM 543 N SER A 36 -36.353 8.479 -27.293 1.00 0.00 N ATOM 544 CA SER A 36 -35.909 9.841 -27.486 1.00 0.00 C ATOM 545 C SER A 36 -36.458 10.740 -26.373 1.00 0.00 C ATOM 546 O SER A 36 -37.615 10.602 -25.963 1.00 0.00 O ATOM 547 CB SER A 36 -36.269 10.321 -28.878 1.00 0.00 C ATOM 548 OG SER A 36 -37.597 10.780 -28.948 1.00 0.00 O ATOM 0 H SER A 36 -37.332 8.333 -27.540 1.00 0.00 H new ATOM 0 HA SER A 36 -34.822 9.888 -27.416 1.00 0.00 H new ATOM 0 HB2 SER A 36 -35.592 11.123 -29.172 1.00 0.00 H new ATOM 0 HB3 SER A 36 -36.128 9.508 -29.590 1.00 0.00 H new ATOM 0 HG SER A 36 -38.197 10.104 -28.570 1.00 0.00 H new ATOM 554 N VAL A 37 -35.617 11.610 -25.819 1.00 0.00 N ATOM 555 CA VAL A 37 -36.046 12.642 -24.857 1.00 0.00 C ATOM 556 C VAL A 37 -35.622 14.029 -25.311 1.00 0.00 C ATOM 557 O VAL A 37 -34.479 14.239 -25.718 1.00 0.00 O ATOM 558 CB VAL A 37 -35.603 12.407 -23.397 1.00 0.00 C ATOM 559 CG1 VAL A 37 -36.487 11.420 -22.667 1.00 0.00 C ATOM 560 CG2 VAL A 37 -34.136 11.998 -23.238 1.00 0.00 C ATOM 0 H VAL A 37 -34.617 11.626 -26.019 1.00 0.00 H new ATOM 0 HA VAL A 37 -37.133 12.565 -24.850 1.00 0.00 H new ATOM 0 HB VAL A 37 -35.714 13.389 -22.937 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -36.127 11.295 -21.646 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -37.511 11.794 -22.648 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -36.461 10.459 -23.181 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -33.911 11.854 -22.181 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -33.957 11.068 -23.777 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -33.494 12.781 -23.642 1.00 0.00 H new ATOM 570 N VAL A 38 -36.552 14.978 -25.199 1.00 0.00 N ATOM 571 CA VAL A 38 -36.274 16.418 -25.295 1.00 0.00 C ATOM 572 C VAL A 38 -36.330 16.955 -23.872 1.00 0.00 C ATOM 573 O VAL A 38 -37.327 16.744 -23.183 1.00 0.00 O ATOM 574 CB VAL A 38 -37.318 17.152 -26.164 1.00 0.00 C ATOM 575 CG1 VAL A 38 -37.124 18.675 -26.132 1.00 0.00 C ATOM 576 CG2 VAL A 38 -37.232 16.720 -27.630 1.00 0.00 C ATOM 0 H VAL A 38 -37.537 14.768 -25.036 1.00 0.00 H new ATOM 0 HA VAL A 38 -35.304 16.581 -25.765 1.00 0.00 H new ATOM 0 HB VAL A 38 -38.287 16.888 -25.742 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -37.880 19.151 -26.757 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -37.222 19.033 -25.107 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -36.132 18.923 -26.509 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -37.981 17.257 -28.212 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -36.239 16.947 -28.019 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -37.414 15.648 -27.705 1.00 0.00 H new ATOM 586 N VAL A 39 -35.261 17.605 -23.411 1.00 0.00 N ATOM 587 CA VAL A 39 -35.109 18.075 -22.020 1.00 0.00 C ATOM 588 C VAL A 39 -34.195 19.296 -21.974 1.00 0.00 C ATOM 589 O VAL A 39 -33.220 19.347 -22.719 1.00 0.00 O ATOM 590 CB VAL A 39 -34.564 16.933 -21.134 1.00 0.00 C ATOM 591 CG1 VAL A 39 -33.175 16.435 -21.517 1.00 0.00 C ATOM 592 CG2 VAL A 39 -34.550 17.305 -19.651 1.00 0.00 C ATOM 0 H VAL A 39 -34.458 17.827 -23.999 1.00 0.00 H new ATOM 0 HA VAL A 39 -36.083 18.371 -21.631 1.00 0.00 H new ATOM 0 HB VAL A 39 -35.267 16.120 -21.314 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -32.876 15.634 -20.840 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -33.193 16.058 -22.540 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -32.462 17.256 -21.445 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -34.159 16.470 -19.070 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -33.917 18.179 -19.501 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -35.565 17.531 -19.323 1.00 0.00 H new ATOM 602 N ASP A 40 -34.504 20.291 -21.131 1.00 0.00 N ATOM 603 CA ASP A 40 -33.774 21.572 -20.957 1.00 0.00 C ATOM 604 C ASP A 40 -33.712 22.505 -22.200 1.00 0.00 C ATOM 605 O ASP A 40 -33.594 23.725 -22.058 1.00 0.00 O ATOM 606 CB ASP A 40 -32.379 21.273 -20.359 1.00 0.00 C ATOM 607 CG ASP A 40 -31.398 22.453 -20.449 1.00 0.00 C ATOM 608 OD1 ASP A 40 -30.675 22.551 -21.472 1.00 0.00 O ATOM 609 OD2 ASP A 40 -31.335 23.265 -19.494 1.00 0.00 O ATOM 0 H ASP A 40 -35.314 20.228 -20.514 1.00 0.00 H new ATOM 0 HA ASP A 40 -34.364 22.170 -20.262 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -32.496 20.989 -19.313 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -31.949 20.415 -20.876 1.00 0.00 H new ATOM 614 N GLY A 41 -33.826 21.953 -23.409 1.00 0.00 N ATOM 615 CA GLY A 41 -33.511 22.581 -24.700 1.00 0.00 C ATOM 616 C GLY A 41 -32.671 21.674 -25.618 1.00 0.00 C ATOM 617 O GLY A 41 -32.413 22.025 -26.771 1.00 0.00 O ATOM 0 H GLY A 41 -34.161 20.996 -23.524 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -34.440 22.843 -25.207 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -32.971 23.511 -24.524 1.00 0.00 H new ATOM 621 N GLN A 42 -32.255 20.505 -25.116 1.00 0.00 N ATOM 622 CA GLN A 42 -31.440 19.492 -25.789 1.00 0.00 C ATOM 623 C GLN A 42 -32.302 18.286 -26.208 1.00 0.00 C ATOM 624 O GLN A 42 -33.435 18.121 -25.743 1.00 0.00 O ATOM 625 CB GLN A 42 -30.318 19.008 -24.842 1.00 0.00 C ATOM 626 CG GLN A 42 -29.681 20.057 -23.913 1.00 0.00 C ATOM 627 CD GLN A 42 -29.230 21.335 -24.621 1.00 0.00 C ATOM 628 OE1 GLN A 42 -28.663 21.322 -25.707 1.00 0.00 O ATOM 629 NE2 GLN A 42 -29.469 22.489 -24.036 1.00 0.00 N ATOM 0 H GLN A 42 -32.496 20.225 -24.165 1.00 0.00 H new ATOM 0 HA GLN A 42 -31.005 19.942 -26.681 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -30.721 18.208 -24.222 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -29.527 18.571 -25.451 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -30.399 20.320 -23.136 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -28.821 19.609 -23.415 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -29.940 22.514 -23.132 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -29.183 23.358 -24.487 1.00 0.00 H new ATOM 638 N PHE A 43 -31.741 17.408 -27.042 1.00 0.00 N ATOM 639 CA PHE A 43 -32.369 16.166 -27.506 1.00 0.00 C ATOM 640 C PHE A 43 -31.375 14.999 -27.438 1.00 0.00 C ATOM 641 O PHE A 43 -30.203 15.152 -27.793 1.00 0.00 O ATOM 642 CB PHE A 43 -32.881 16.366 -28.940 1.00 0.00 C ATOM 643 CG PHE A 43 -33.355 15.100 -29.639 1.00 0.00 C ATOM 644 CD1 PHE A 43 -34.648 14.596 -29.404 1.00 0.00 C ATOM 645 CD2 PHE A 43 -32.502 14.428 -30.537 1.00 0.00 C ATOM 646 CE1 PHE A 43 -35.106 13.467 -30.107 1.00 0.00 C ATOM 647 CE2 PHE A 43 -32.946 13.274 -31.209 1.00 0.00 C ATOM 648 CZ PHE A 43 -34.253 12.802 -31.004 1.00 0.00 C ATOM 0 H PHE A 43 -30.806 17.545 -27.426 1.00 0.00 H new ATOM 0 HA PHE A 43 -33.210 15.921 -26.857 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -33.704 17.081 -28.919 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -32.085 16.814 -29.534 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -35.290 15.078 -28.682 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -31.503 14.800 -30.710 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -36.115 13.111 -29.957 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -32.282 12.752 -31.882 1.00 0.00 H new ATOM 0 HZ PHE A 43 -34.602 11.929 -31.535 1.00 0.00 H new ATOM 658 N PHE A 44 -31.859 13.829 -27.017 1.00 0.00 N ATOM 659 CA PHE A 44 -31.074 12.598 -26.905 1.00 0.00 C ATOM 660 C PHE A 44 -31.840 11.404 -27.478 1.00 0.00 C ATOM 661 O PHE A 44 -33.065 11.338 -27.387 1.00 0.00 O ATOM 662 CB PHE A 44 -30.711 12.328 -25.433 1.00 0.00 C ATOM 663 CG PHE A 44 -30.104 13.513 -24.707 1.00 0.00 C ATOM 664 CD1 PHE A 44 -28.715 13.741 -24.745 1.00 0.00 C ATOM 665 CD2 PHE A 44 -30.943 14.430 -24.044 1.00 0.00 C ATOM 666 CE1 PHE A 44 -28.173 14.882 -24.126 1.00 0.00 C ATOM 667 CE2 PHE A 44 -30.398 15.564 -23.427 1.00 0.00 C ATOM 668 CZ PHE A 44 -29.019 15.794 -23.471 1.00 0.00 C ATOM 0 H PHE A 44 -32.832 13.708 -26.737 1.00 0.00 H new ATOM 0 HA PHE A 44 -30.159 12.729 -27.482 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -31.610 12.014 -24.902 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -30.009 11.495 -25.392 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -28.066 13.040 -25.249 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -32.009 14.259 -24.011 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -27.108 15.057 -24.154 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -31.044 16.262 -22.916 1.00 0.00 H new ATOM 0 HZ PHE A 44 -28.604 16.673 -23.001 1.00 0.00 H new ATOM 678 N GLU A 45 -31.092 10.424 -27.984 1.00 0.00 N ATOM 679 CA GLU A 45 -31.556 9.078 -28.334 1.00 0.00 C ATOM 680 C GLU A 45 -30.867 8.053 -27.430 1.00 0.00 C ATOM 681 O GLU A 45 -29.647 8.079 -27.241 1.00 0.00 O ATOM 682 CB GLU A 45 -31.205 8.719 -29.785 1.00 0.00 C ATOM 683 CG GLU A 45 -32.324 8.983 -30.795 1.00 0.00 C ATOM 684 CD GLU A 45 -31.919 8.426 -32.175 1.00 0.00 C ATOM 685 OE1 GLU A 45 -31.543 7.232 -32.263 1.00 0.00 O ATOM 686 OE2 GLU A 45 -31.963 9.178 -33.179 1.00 0.00 O ATOM 0 H GLU A 45 -30.097 10.551 -28.171 1.00 0.00 H new ATOM 0 HA GLU A 45 -32.639 9.062 -28.208 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -30.323 9.287 -30.083 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -30.935 7.664 -29.829 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -33.249 8.513 -30.459 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -32.518 10.053 -30.866 1.00 0.00 H new ATOM 693 N GLY A 46 -31.656 7.115 -26.922 1.00 0.00 N ATOM 694 CA GLY A 46 -31.198 5.916 -26.244 1.00 0.00 C ATOM 695 C GLY A 46 -31.657 4.677 -26.993 1.00 0.00 C ATOM 696 O GLY A 46 -32.854 4.412 -27.071 1.00 0.00 O ATOM 0 H GLY A 46 -32.673 7.174 -26.975 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -30.110 5.924 -26.173 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -31.584 5.897 -25.225 1.00 0.00 H new ATOM 700 N SER A 47 -30.713 3.920 -27.544 1.00 0.00 N ATOM 701 CA SER A 47 -30.978 2.759 -28.398 1.00 0.00 C ATOM 702 C SER A 47 -30.714 1.474 -27.613 1.00 0.00 C ATOM 703 O SER A 47 -29.593 1.164 -27.205 1.00 0.00 O ATOM 704 CB SER A 47 -30.172 2.872 -29.697 1.00 0.00 C ATOM 705 OG SER A 47 -28.787 3.033 -29.459 1.00 0.00 O ATOM 0 H SER A 47 -29.718 4.098 -27.408 1.00 0.00 H new ATOM 0 HA SER A 47 -32.026 2.729 -28.695 1.00 0.00 H new ATOM 0 HB2 SER A 47 -30.333 1.979 -30.300 1.00 0.00 H new ATOM 0 HB3 SER A 47 -30.539 3.719 -30.277 1.00 0.00 H new ATOM 0 HG SER A 47 -28.314 3.099 -30.315 1.00 0.00 H new ATOM 711 N GLY A 48 -31.805 0.784 -27.289 1.00 0.00 N ATOM 712 CA GLY A 48 -31.881 -0.300 -26.317 1.00 0.00 C ATOM 713 C GLY A 48 -32.684 -1.491 -26.808 1.00 0.00 C ATOM 714 O GLY A 48 -33.694 -1.333 -27.482 1.00 0.00 O ATOM 0 H GLY A 48 -32.708 0.978 -27.722 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -30.872 -0.628 -26.069 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -32.328 0.077 -25.397 1.00 0.00 H new ATOM 718 N ARG A 49 -32.238 -2.709 -26.505 1.00 0.00 N ATOM 719 CA ARG A 49 -32.932 -3.944 -26.907 1.00 0.00 C ATOM 720 C ARG A 49 -34.413 -4.020 -26.432 1.00 0.00 C ATOM 721 O ARG A 49 -35.183 -4.816 -26.968 1.00 0.00 O ATOM 722 CB ARG A 49 -32.111 -5.165 -26.431 1.00 0.00 C ATOM 723 CG ARG A 49 -30.760 -5.437 -27.136 1.00 0.00 C ATOM 724 CD ARG A 49 -29.648 -4.375 -27.005 1.00 0.00 C ATOM 725 NE ARG A 49 -29.764 -3.350 -28.058 1.00 0.00 N ATOM 726 CZ ARG A 49 -29.330 -2.107 -28.087 1.00 0.00 C ATOM 727 NH1 ARG A 49 -28.650 -1.551 -27.132 1.00 0.00 N ATOM 728 NH2 ARG A 49 -29.611 -1.362 -29.104 1.00 0.00 N ATOM 0 H ARG A 49 -31.384 -2.874 -25.973 1.00 0.00 H new ATOM 0 HA ARG A 49 -32.995 -3.944 -27.995 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -31.916 -5.044 -25.365 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -32.733 -6.053 -26.543 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -30.368 -6.380 -26.754 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -30.960 -5.582 -28.198 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -29.707 -3.902 -26.025 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -28.672 -4.857 -27.068 1.00 0.00 H new ATOM 0 HE ARG A 49 -30.259 -3.651 -28.897 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -28.421 -2.083 -26.293 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -28.345 -0.582 -27.221 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -30.164 -1.738 -29.874 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -29.280 -0.398 -29.137 1.00 0.00 H new ATOM 742 N ASN A 50 -34.809 -3.191 -25.453 1.00 0.00 N ATOM 743 CA ASN A 50 -36.172 -2.916 -24.949 1.00 0.00 C ATOM 744 C ASN A 50 -36.181 -1.562 -24.181 1.00 0.00 C ATOM 745 O ASN A 50 -35.110 -1.141 -23.752 1.00 0.00 O ATOM 746 CB ASN A 50 -36.566 -4.099 -24.044 1.00 0.00 C ATOM 747 CG ASN A 50 -37.852 -3.876 -23.268 1.00 0.00 C ATOM 748 OD1 ASN A 50 -37.849 -3.301 -22.192 1.00 0.00 O ATOM 749 ND2 ASN A 50 -38.983 -4.280 -23.793 1.00 0.00 N ATOM 0 H ASN A 50 -34.118 -2.641 -24.942 1.00 0.00 H new ATOM 0 HA ASN A 50 -36.895 -2.824 -25.760 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -36.673 -4.993 -24.658 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -35.756 -4.291 -23.340 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -39.861 -4.114 -23.302 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -38.985 -4.761 -24.693 1.00 0.00 H new ATOM 756 N LYS A 51 -37.329 -0.899 -23.925 1.00 0.00 N ATOM 757 CA LYS A 51 -37.467 0.319 -23.060 1.00 0.00 C ATOM 758 C LYS A 51 -36.702 0.275 -21.735 1.00 0.00 C ATOM 759 O LYS A 51 -36.111 1.292 -21.383 1.00 0.00 O ATOM 760 CB LYS A 51 -38.947 0.630 -22.780 1.00 0.00 C ATOM 761 CG LYS A 51 -39.601 1.382 -23.952 1.00 0.00 C ATOM 762 CD LYS A 51 -41.100 1.597 -23.682 1.00 0.00 C ATOM 763 CE LYS A 51 -41.808 2.385 -24.795 1.00 0.00 C ATOM 764 NZ LYS A 51 -41.999 1.575 -26.027 1.00 0.00 N ATOM 0 H LYS A 51 -38.220 -1.197 -24.322 1.00 0.00 H new ATOM 0 HA LYS A 51 -37.006 1.114 -23.646 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -39.486 -0.300 -22.598 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -39.028 1.229 -21.873 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -39.109 2.344 -24.095 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -39.469 0.816 -24.874 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -41.585 0.627 -23.567 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -41.220 2.127 -22.737 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -42.778 2.727 -24.434 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -41.225 3.274 -25.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -41.415 1.966 -26.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -41.716 0.591 -25.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -43.000 1.601 -26.308 1.00 0.00 H new ATOM 778 N LYS A 52 -36.619 -0.870 -21.043 1.00 0.00 N ATOM 779 CA LYS A 52 -35.805 -1.034 -19.812 1.00 0.00 C ATOM 780 C LYS A 52 -34.305 -0.733 -20.001 1.00 0.00 C ATOM 781 O LYS A 52 -33.594 -0.520 -19.024 1.00 0.00 O ATOM 782 CB LYS A 52 -36.145 -2.382 -19.121 1.00 0.00 C ATOM 783 CG LYS A 52 -35.011 -3.382 -18.810 1.00 0.00 C ATOM 784 CD LYS A 52 -34.354 -4.068 -20.024 1.00 0.00 C ATOM 785 CE LYS A 52 -35.294 -4.983 -20.820 1.00 0.00 C ATOM 786 NZ LYS A 52 -35.695 -6.198 -20.058 1.00 0.00 N ATOM 0 H LYS A 52 -37.115 -1.719 -21.316 1.00 0.00 H new ATOM 0 HA LYS A 52 -36.091 -0.252 -19.108 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -36.644 -2.150 -18.180 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -36.872 -2.897 -19.749 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -34.235 -2.857 -18.252 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -35.408 -4.156 -18.153 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -33.962 -3.301 -20.692 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -33.503 -4.654 -19.678 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -36.187 -4.424 -21.101 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -34.803 -5.285 -21.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -36.329 -6.780 -20.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -34.848 -6.749 -19.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -36.189 -5.915 -19.188 1.00 0.00 H new ATOM 800 N LEU A 53 -33.850 -0.657 -21.253 1.00 0.00 N ATOM 801 CA LEU A 53 -32.493 -0.322 -21.684 1.00 0.00 C ATOM 802 C LEU A 53 -32.473 0.904 -22.622 1.00 0.00 C ATOM 803 O LEU A 53 -31.607 1.760 -22.497 1.00 0.00 O ATOM 804 CB LEU A 53 -31.907 -1.598 -22.321 1.00 0.00 C ATOM 805 CG LEU A 53 -30.495 -1.482 -22.918 1.00 0.00 C ATOM 806 CD1 LEU A 53 -29.488 -0.885 -21.937 1.00 0.00 C ATOM 807 CD2 LEU A 53 -30.006 -2.876 -23.306 1.00 0.00 C ATOM 0 H LEU A 53 -34.463 -0.841 -22.047 1.00 0.00 H new ATOM 0 HA LEU A 53 -31.872 -0.017 -20.841 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -31.894 -2.382 -21.564 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -32.584 -1.928 -23.109 1.00 0.00 H new ATOM 0 HG LEU A 53 -30.563 -0.819 -23.780 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -28.508 -0.827 -22.412 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -29.811 0.115 -21.647 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -29.425 -1.517 -21.051 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -29.005 -2.805 -23.731 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -29.981 -3.512 -22.421 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -30.683 -3.307 -24.043 1.00 0.00 H new ATOM 819 N ALA A 54 -33.427 1.038 -23.546 1.00 0.00 N ATOM 820 CA ALA A 54 -33.599 2.214 -24.404 1.00 0.00 C ATOM 821 C ALA A 54 -33.743 3.499 -23.583 1.00 0.00 C ATOM 822 O ALA A 54 -32.963 4.442 -23.729 1.00 0.00 O ATOM 823 CB ALA A 54 -34.781 1.974 -25.350 1.00 0.00 C ATOM 0 H ALA A 54 -34.121 0.312 -23.723 1.00 0.00 H new ATOM 0 HA ALA A 54 -32.703 2.358 -25.008 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -34.916 2.845 -25.992 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -34.582 1.097 -25.965 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -35.687 1.810 -24.766 1.00 0.00 H new ATOM 829 N LYS A 55 -34.717 3.512 -22.661 1.00 0.00 N ATOM 830 CA LYS A 55 -34.831 4.547 -21.635 1.00 0.00 C ATOM 831 C LYS A 55 -33.549 4.676 -20.816 1.00 0.00 C ATOM 832 O LYS A 55 -33.171 5.793 -20.529 1.00 0.00 O ATOM 833 CB LYS A 55 -36.069 4.331 -20.746 1.00 0.00 C ATOM 834 CG LYS A 55 -36.447 5.648 -20.064 1.00 0.00 C ATOM 835 CD LYS A 55 -37.950 5.951 -20.021 1.00 0.00 C ATOM 836 CE LYS A 55 -38.640 5.963 -21.395 1.00 0.00 C ATOM 837 NZ LYS A 55 -40.052 6.420 -21.275 1.00 0.00 N ATOM 0 H LYS A 55 -35.447 2.801 -22.610 1.00 0.00 H new ATOM 0 HA LYS A 55 -34.972 5.498 -22.148 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -36.903 3.969 -21.348 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -35.862 3.568 -19.996 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -36.066 5.633 -19.043 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -35.942 6.464 -20.580 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -38.439 5.209 -19.390 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -38.098 6.921 -19.546 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -38.097 6.621 -22.074 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -38.612 4.964 -21.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -40.616 6.011 -22.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -40.440 6.111 -20.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -40.087 7.458 -21.333 1.00 0.00 H new ATOM 851 N ALA A 56 -32.887 3.587 -20.421 1.00 0.00 N ATOM 852 CA ALA A 56 -31.640 3.612 -19.652 1.00 0.00 C ATOM 853 C ALA A 56 -30.524 4.428 -20.315 1.00 0.00 C ATOM 854 O ALA A 56 -29.941 5.287 -19.673 1.00 0.00 O ATOM 855 CB ALA A 56 -31.184 2.185 -19.318 1.00 0.00 C ATOM 0 H ALA A 56 -33.209 2.642 -20.631 1.00 0.00 H new ATOM 0 HA ALA A 56 -31.859 4.134 -18.721 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -30.256 2.224 -18.747 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -31.953 1.686 -18.728 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -31.018 1.630 -20.242 1.00 0.00 H new ATOM 861 N ARG A 57 -30.244 4.166 -21.595 1.00 0.00 N ATOM 862 CA ARG A 57 -29.385 4.921 -22.518 1.00 0.00 C ATOM 863 C ARG A 57 -29.799 6.394 -22.640 1.00 0.00 C ATOM 864 O ARG A 57 -28.971 7.282 -22.439 1.00 0.00 O ATOM 865 CB ARG A 57 -29.428 4.211 -23.889 1.00 0.00 C ATOM 866 CG ARG A 57 -28.923 2.755 -23.887 1.00 0.00 C ATOM 867 CD ARG A 57 -27.410 2.643 -24.041 1.00 0.00 C ATOM 868 NE ARG A 57 -26.995 2.953 -25.427 1.00 0.00 N ATOM 869 CZ ARG A 57 -26.608 2.100 -26.364 1.00 0.00 C ATOM 870 NH1 ARG A 57 -26.303 0.857 -26.139 1.00 0.00 N ATOM 871 NH2 ARG A 57 -26.510 2.465 -27.601 1.00 0.00 N ATOM 0 H ARG A 57 -30.647 3.349 -22.054 1.00 0.00 H new ATOM 0 HA ARG A 57 -28.368 4.937 -22.127 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -30.455 4.223 -24.255 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -28.831 4.785 -24.597 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -29.223 2.275 -22.956 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -29.406 2.209 -24.698 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -26.919 3.327 -23.349 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -27.087 1.636 -23.777 1.00 0.00 H new ATOM 0 HE ARG A 57 -27.008 3.938 -25.692 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -26.354 0.483 -25.192 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -26.012 0.256 -26.910 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -26.732 3.424 -27.869 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -26.210 1.794 -28.308 1.00 0.00 H new ATOM 885 N ALA A 58 -31.069 6.650 -22.966 1.00 0.00 N ATOM 886 CA ALA A 58 -31.655 7.993 -23.070 1.00 0.00 C ATOM 887 C ALA A 58 -31.466 8.797 -21.773 1.00 0.00 C ATOM 888 O ALA A 58 -30.883 9.881 -21.770 1.00 0.00 O ATOM 889 CB ALA A 58 -33.136 7.856 -23.451 1.00 0.00 C ATOM 0 H ALA A 58 -31.739 5.908 -23.171 1.00 0.00 H new ATOM 0 HA ALA A 58 -31.138 8.554 -23.848 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -33.584 8.846 -23.532 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -33.219 7.341 -24.408 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -33.658 7.283 -22.684 1.00 0.00 H new ATOM 895 N ALA A 59 -31.903 8.197 -20.664 1.00 0.00 N ATOM 896 CA ALA A 59 -31.658 8.615 -19.294 1.00 0.00 C ATOM 897 C ALA A 59 -30.183 8.893 -19.030 1.00 0.00 C ATOM 898 O ALA A 59 -29.868 10.000 -18.645 1.00 0.00 O ATOM 899 CB ALA A 59 -32.181 7.544 -18.324 1.00 0.00 C ATOM 0 H ALA A 59 -32.473 7.353 -20.709 1.00 0.00 H new ATOM 0 HA ALA A 59 -32.193 9.551 -19.133 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -31.996 7.861 -17.298 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -33.252 7.409 -18.474 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -31.667 6.601 -18.511 1.00 0.00 H new ATOM 905 N GLN A 60 -29.279 7.944 -19.255 1.00 0.00 N ATOM 906 CA GLN A 60 -27.837 8.082 -19.028 1.00 0.00 C ATOM 907 C GLN A 60 -27.248 9.320 -19.721 1.00 0.00 C ATOM 908 O GLN A 60 -26.558 10.127 -19.090 1.00 0.00 O ATOM 909 CB GLN A 60 -27.151 6.786 -19.506 1.00 0.00 C ATOM 910 CG GLN A 60 -26.797 5.876 -18.322 1.00 0.00 C ATOM 911 CD GLN A 60 -26.125 4.581 -18.765 1.00 0.00 C ATOM 912 OE1 GLN A 60 -26.591 3.486 -18.482 1.00 0.00 O ATOM 913 NE2 GLN A 60 -25.003 4.634 -19.451 1.00 0.00 N ATOM 0 H GLN A 60 -29.536 7.024 -19.613 1.00 0.00 H new ATOM 0 HA GLN A 60 -27.657 8.231 -17.963 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -27.810 6.254 -20.192 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -26.246 7.034 -20.061 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -26.135 6.411 -17.641 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -27.704 5.640 -17.765 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -24.598 5.537 -19.697 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -24.539 3.772 -19.737 1.00 0.00 H new ATOM 922 N SER A 61 -27.564 9.480 -21.009 1.00 0.00 N ATOM 923 CA SER A 61 -27.218 10.651 -21.824 1.00 0.00 C ATOM 924 C SER A 61 -27.716 11.962 -21.196 1.00 0.00 C ATOM 925 O SER A 61 -26.921 12.859 -20.881 1.00 0.00 O ATOM 926 CB SER A 61 -27.762 10.488 -23.253 1.00 0.00 C ATOM 927 OG SER A 61 -27.385 9.241 -23.821 1.00 0.00 O ATOM 0 H SER A 61 -28.085 8.776 -21.532 1.00 0.00 H new ATOM 0 HA SER A 61 -26.130 10.711 -21.865 1.00 0.00 H new ATOM 0 HB2 SER A 61 -28.849 10.568 -23.240 1.00 0.00 H new ATOM 0 HB3 SER A 61 -27.390 11.300 -23.878 1.00 0.00 H new ATOM 0 HG SER A 61 -27.967 8.534 -23.473 1.00 0.00 H new ATOM 933 N ALA A 62 -29.032 12.048 -20.971 1.00 0.00 N ATOM 934 CA ALA A 62 -29.691 13.178 -20.325 1.00 0.00 C ATOM 935 C ALA A 62 -29.093 13.492 -18.943 1.00 0.00 C ATOM 936 O ALA A 62 -28.600 14.596 -18.747 1.00 0.00 O ATOM 937 CB ALA A 62 -31.196 12.891 -20.265 1.00 0.00 C ATOM 0 H ALA A 62 -29.682 11.310 -21.243 1.00 0.00 H new ATOM 0 HA ALA A 62 -29.523 14.080 -20.914 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -31.707 13.726 -19.785 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -31.582 12.762 -21.276 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -31.370 11.981 -19.692 1.00 0.00 H new ATOM 943 N LEU A 63 -29.073 12.518 -18.026 1.00 0.00 N ATOM 944 CA LEU A 63 -28.501 12.555 -16.674 1.00 0.00 C ATOM 945 C LEU A 63 -27.127 13.207 -16.686 1.00 0.00 C ATOM 946 O LEU A 63 -26.974 14.284 -16.115 1.00 0.00 O ATOM 947 CB LEU A 63 -28.393 11.126 -16.084 1.00 0.00 C ATOM 948 CG LEU A 63 -29.579 10.611 -15.249 1.00 0.00 C ATOM 949 CD1 LEU A 63 -30.946 11.167 -15.620 1.00 0.00 C ATOM 950 CD2 LEU A 63 -29.658 9.085 -15.295 1.00 0.00 C ATOM 0 H LEU A 63 -29.490 11.609 -18.226 1.00 0.00 H new ATOM 0 HA LEU A 63 -29.168 13.148 -16.048 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -28.236 10.432 -16.910 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -27.500 11.086 -15.460 1.00 0.00 H new ATOM 0 HG LEU A 63 -29.359 10.977 -14.246 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -31.704 10.735 -14.967 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -30.942 12.251 -15.504 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -31.173 10.914 -16.656 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -30.504 8.746 -14.697 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -29.789 8.758 -16.327 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -28.738 8.661 -14.894 1.00 0.00 H new ATOM 962 N ALA A 64 -26.152 12.597 -17.371 1.00 0.00 N ATOM 963 CA ALA A 64 -24.799 13.137 -17.439 1.00 0.00 C ATOM 964 C ALA A 64 -24.814 14.600 -17.917 1.00 0.00 C ATOM 965 O ALA A 64 -24.266 15.476 -17.238 1.00 0.00 O ATOM 966 CB ALA A 64 -23.952 12.235 -18.344 1.00 0.00 C ATOM 0 H ALA A 64 -26.281 11.726 -17.886 1.00 0.00 H new ATOM 0 HA ALA A 64 -24.351 13.146 -16.445 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -22.937 12.629 -18.403 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -23.927 11.226 -17.931 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -24.389 12.208 -19.342 1.00 0.00 H new ATOM 972 N THR A 65 -25.489 14.859 -19.045 1.00 0.00 N ATOM 973 CA THR A 65 -25.674 16.213 -19.590 1.00 0.00 C ATOM 974 C THR A 65 -26.310 17.195 -18.596 1.00 0.00 C ATOM 975 O THR A 65 -25.593 18.015 -18.023 1.00 0.00 O ATOM 976 CB THR A 65 -26.402 16.206 -20.945 1.00 0.00 C ATOM 977 OG1 THR A 65 -25.828 15.247 -21.808 1.00 0.00 O ATOM 978 CG2 THR A 65 -26.259 17.560 -21.642 1.00 0.00 C ATOM 0 H THR A 65 -25.926 14.130 -19.610 1.00 0.00 H new ATOM 0 HA THR A 65 -24.667 16.590 -19.771 1.00 0.00 H new ATOM 0 HB THR A 65 -27.449 15.979 -20.745 1.00 0.00 H new ATOM 0 HG1 THR A 65 -26.150 14.354 -21.565 1.00 0.00 H new ATOM 0 HG21 THR A 65 -26.781 17.534 -22.599 1.00 0.00 H new ATOM 0 HG22 THR A 65 -26.691 18.340 -21.014 1.00 0.00 H new ATOM 0 HG23 THR A 65 -25.203 17.773 -21.811 1.00 0.00 H new ATOM 986 N VAL A 66 -27.635 17.151 -18.381 1.00 0.00 N ATOM 987 CA VAL A 66 -28.369 18.113 -17.535 1.00 0.00 C ATOM 988 C VAL A 66 -27.811 18.213 -16.113 1.00 0.00 C ATOM 989 O VAL A 66 -27.625 19.318 -15.601 1.00 0.00 O ATOM 990 CB VAL A 66 -29.907 17.936 -17.540 1.00 0.00 C ATOM 991 CG1 VAL A 66 -30.484 18.344 -18.902 1.00 0.00 C ATOM 992 CG2 VAL A 66 -30.465 16.548 -17.203 1.00 0.00 C ATOM 0 H VAL A 66 -28.236 16.438 -18.794 1.00 0.00 H new ATOM 0 HA VAL A 66 -28.188 19.073 -18.018 1.00 0.00 H new ATOM 0 HB VAL A 66 -30.220 18.583 -16.721 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -31.566 18.215 -18.892 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -30.245 19.389 -19.100 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -30.051 17.719 -19.683 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -31.554 16.574 -17.245 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -30.091 15.821 -17.924 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -30.147 16.262 -16.200 1.00 0.00 H new ATOM 1002 N PHE A 67 -27.523 17.097 -15.447 1.00 0.00 N ATOM 1003 CA PHE A 67 -26.888 17.144 -14.128 1.00 0.00 C ATOM 1004 C PHE A 67 -25.545 17.891 -14.147 1.00 0.00 C ATOM 1005 O PHE A 67 -25.301 18.712 -13.267 1.00 0.00 O ATOM 1006 CB PHE A 67 -26.818 15.776 -13.466 1.00 0.00 C ATOM 1007 CG PHE A 67 -28.148 15.035 -13.313 1.00 0.00 C ATOM 1008 CD1 PHE A 67 -29.393 15.610 -13.672 1.00 0.00 C ATOM 1009 CD2 PHE A 67 -28.128 13.727 -12.797 1.00 0.00 C ATOM 1010 CE1 PHE A 67 -30.575 14.855 -13.604 1.00 0.00 C ATOM 1011 CE2 PHE A 67 -29.321 12.990 -12.679 1.00 0.00 C ATOM 1012 CZ PHE A 67 -30.534 13.538 -13.128 1.00 0.00 C ATOM 0 H PHE A 67 -27.716 16.157 -15.793 1.00 0.00 H new ATOM 0 HA PHE A 67 -27.539 17.740 -13.488 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -26.140 15.149 -14.045 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -26.376 15.895 -12.477 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -29.433 16.638 -14.001 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -27.192 13.285 -12.489 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -31.513 15.288 -13.918 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -29.304 12.002 -12.243 1.00 0.00 H new ATOM 0 HZ PHE A 67 -31.436 12.944 -13.106 1.00 0.00 H new ATOM 1022 N ASN A 68 -24.651 17.644 -15.119 1.00 0.00 N ATOM 1023 CA ASN A 68 -23.532 18.567 -15.351 1.00 0.00 C ATOM 1024 C ASN A 68 -23.892 20.037 -15.655 1.00 0.00 C ATOM 1025 O ASN A 68 -23.148 20.935 -15.259 1.00 0.00 O ATOM 1026 CB ASN A 68 -22.466 17.953 -16.268 1.00 0.00 C ATOM 1027 CG ASN A 68 -21.161 18.744 -16.301 1.00 0.00 C ATOM 1028 OD1 ASN A 68 -20.603 19.006 -17.359 1.00 0.00 O ATOM 1029 ND2 ASN A 68 -20.606 19.139 -15.175 1.00 0.00 N ATOM 0 H ASN A 68 -24.679 16.836 -15.740 1.00 0.00 H new ATOM 0 HA ASN A 68 -23.070 18.684 -14.371 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -22.256 16.936 -15.938 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -22.865 17.884 -17.280 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -19.726 19.654 -15.193 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -21.056 18.930 -14.284 1.00 0.00 H new ATOM 1036 N LEU A 69 -25.032 20.322 -16.299 1.00 0.00 N ATOM 1037 CA LEU A 69 -25.531 21.706 -16.424 1.00 0.00 C ATOM 1038 C LEU A 69 -25.843 22.369 -15.082 1.00 0.00 C ATOM 1039 O LEU A 69 -25.725 23.587 -14.930 1.00 0.00 O ATOM 1040 CB LEU A 69 -26.735 21.836 -17.379 1.00 0.00 C ATOM 1041 CG LEU A 69 -26.592 21.165 -18.753 1.00 0.00 C ATOM 1042 CD1 LEU A 69 -27.831 21.461 -19.598 1.00 0.00 C ATOM 1043 CD2 LEU A 69 -25.369 21.657 -19.530 1.00 0.00 C ATOM 0 H LEU A 69 -25.626 19.620 -16.740 1.00 0.00 H new ATOM 0 HA LEU A 69 -24.696 22.248 -16.867 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -27.611 21.417 -16.884 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -26.934 22.896 -17.536 1.00 0.00 H new ATOM 0 HG LEU A 69 -26.475 20.097 -18.567 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -27.729 20.985 -20.573 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -28.716 21.072 -19.095 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -27.933 22.538 -19.730 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -25.320 21.148 -20.492 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -25.449 22.732 -19.692 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -24.465 21.442 -18.960 1.00 0.00 H new