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 50 ASN : amide:sc= 1.78 K(o=2.9,f=-12!) USER MOD Set 1.2: A 51 LYS NZ :NH3+ -149:sc= 1.11 (180deg=-0.00185) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= 0.663 K(o=0.66,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 179:sc= 1.07 (180deg=1.05) USER MOD Single : A 19 TYR OH : rot 180:sc=-0.00139 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl 173:sc= -1.96 (180deg=-2.17) USER MOD Single : A 36 SER OG : rot -27:sc= 1.13 USER MOD Single : A 42 GLN : amide:sc= 1.15 K(o=1.2,f=-0.0073) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0165) USER MOD Single : A 55 LYS NZ :NH3+ -148:sc= 0.807 (180deg=0.199) USER MOD Single : A 60 GLN : amide:sc= 0.821 K(o=0.82,f=-7.4!) USER MOD Single : A 61 SER OG : rot 80:sc= 1.15 USER MOD Single : A 65 THR OG1 : rot 78:sc= 1.13 USER MOD Single : A 68 ASN : amide:sc= 0.263 X(o=0.26,f=0) USER MOD ----------------------------------------------------------------- ATOM 69 N PRO A 6 -30.804 3.645 -14.597 1.00 0.00 N ATOM 70 CA PRO A 6 -30.845 5.097 -14.808 1.00 0.00 C ATOM 71 C PRO A 6 -32.223 5.653 -15.166 1.00 0.00 C ATOM 72 O PRO A 6 -32.503 6.815 -14.852 1.00 0.00 O ATOM 73 CB PRO A 6 -29.856 5.401 -15.947 1.00 0.00 C ATOM 74 CG PRO A 6 -29.725 4.058 -16.644 1.00 0.00 C ATOM 75 CD PRO A 6 -29.858 3.039 -15.523 1.00 0.00 C ATOM 0 HA PRO A 6 -30.583 5.582 -13.867 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -30.237 6.170 -16.619 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -28.898 5.755 -15.567 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -30.501 3.924 -17.398 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -28.766 3.966 -17.154 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -30.224 2.082 -15.896 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -28.898 2.848 -15.043 1.00 0.00 H new ATOM 83 N VAL A 7 -33.094 4.842 -15.785 1.00 0.00 N ATOM 84 CA VAL A 7 -34.460 5.278 -16.100 1.00 0.00 C ATOM 85 C VAL A 7 -35.146 5.759 -14.840 1.00 0.00 C ATOM 86 O VAL A 7 -35.704 6.844 -14.824 1.00 0.00 O ATOM 87 CB VAL A 7 -35.338 4.217 -16.796 1.00 0.00 C ATOM 88 CG1 VAL A 7 -36.792 4.665 -16.973 1.00 0.00 C ATOM 89 CG2 VAL A 7 -34.652 3.725 -18.044 1.00 0.00 C ATOM 0 H VAL A 7 -32.878 3.888 -16.075 1.00 0.00 H new ATOM 0 HA VAL A 7 -34.349 6.086 -16.823 1.00 0.00 H new ATOM 0 HB VAL A 7 -35.438 3.350 -16.142 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -37.358 3.876 -17.468 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -37.231 4.869 -15.997 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -36.823 5.570 -17.580 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -35.276 2.976 -18.531 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -34.491 4.561 -18.724 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -33.692 3.281 -17.781 1.00 0.00 H new ATOM 99 N MET A 8 -35.057 4.971 -13.775 1.00 0.00 N ATOM 100 CA MET A 8 -35.637 5.263 -12.471 1.00 0.00 C ATOM 101 C MET A 8 -35.197 6.612 -11.875 1.00 0.00 C ATOM 102 O MET A 8 -36.034 7.340 -11.347 1.00 0.00 O ATOM 103 CB MET A 8 -35.349 4.066 -11.568 1.00 0.00 C ATOM 104 CG MET A 8 -36.476 3.829 -10.558 1.00 0.00 C ATOM 105 SD MET A 8 -36.607 4.999 -9.182 1.00 0.00 S ATOM 106 CE MET A 8 -38.126 4.386 -8.405 1.00 0.00 C ATOM 0 H MET A 8 -34.561 4.080 -13.797 1.00 0.00 H new ATOM 0 HA MET A 8 -36.714 5.396 -12.574 1.00 0.00 H new ATOM 0 HB2 MET A 8 -35.216 3.174 -12.179 1.00 0.00 H new ATOM 0 HB3 MET A 8 -34.412 4.230 -11.035 1.00 0.00 H new ATOM 0 HG2 MET A 8 -37.422 3.835 -11.099 1.00 0.00 H new ATOM 0 HG3 MET A 8 -36.353 2.829 -10.142 1.00 0.00 H new ATOM 0 HE1 MET A 8 -38.360 4.995 -7.532 1.00 0.00 H new ATOM 0 HE2 MET A 8 -38.948 4.443 -9.118 1.00 0.00 H new ATOM 0 HE3 MET A 8 -37.985 3.350 -8.097 1.00 0.00 H new ATOM 116 N ILE A 9 -33.914 6.975 -11.967 1.00 0.00 N ATOM 117 CA ILE A 9 -33.412 8.337 -11.690 1.00 0.00 C ATOM 118 C ILE A 9 -34.102 9.413 -12.530 1.00 0.00 C ATOM 119 O ILE A 9 -34.663 10.370 -12.004 1.00 0.00 O ATOM 120 CB ILE A 9 -31.884 8.478 -11.852 1.00 0.00 C ATOM 121 CG1 ILE A 9 -31.098 7.231 -11.415 1.00 0.00 C ATOM 122 CG2 ILE A 9 -31.407 9.734 -11.096 1.00 0.00 C ATOM 123 CD1 ILE A 9 -29.645 7.295 -11.887 1.00 0.00 C ATOM 0 H ILE A 9 -33.178 6.324 -12.240 1.00 0.00 H new ATOM 0 HA ILE A 9 -33.661 8.495 -10.641 1.00 0.00 H new ATOM 0 HB ILE A 9 -31.679 8.584 -12.917 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -31.126 7.143 -10.329 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -31.575 6.338 -11.819 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -30.328 9.838 -11.208 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -31.901 10.615 -11.506 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -31.655 9.638 -10.039 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -29.117 6.399 -11.562 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -29.618 7.357 -12.975 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -29.163 8.175 -11.461 1.00 0.00 H new ATOM 135 N LEU A 10 -34.003 9.292 -13.858 1.00 0.00 N ATOM 136 CA LEU A 10 -34.596 10.249 -14.803 1.00 0.00 C ATOM 137 C LEU A 10 -36.105 10.430 -14.571 1.00 0.00 C ATOM 138 O LEU A 10 -36.628 11.543 -14.590 1.00 0.00 O ATOM 139 CB LEU A 10 -34.090 9.893 -16.219 1.00 0.00 C ATOM 140 CG LEU A 10 -34.942 9.751 -17.490 1.00 0.00 C ATOM 141 CD1 LEU A 10 -35.959 8.617 -17.474 1.00 0.00 C ATOM 142 CD2 LEU A 10 -35.567 11.066 -17.909 1.00 0.00 C ATOM 0 H LEU A 10 -33.507 8.524 -14.311 1.00 0.00 H new ATOM 0 HA LEU A 10 -34.260 11.273 -14.639 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -33.337 10.645 -16.456 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -33.568 8.942 -16.111 1.00 0.00 H new ATOM 0 HG LEU A 10 -34.224 9.456 -18.256 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -36.506 8.606 -18.417 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -35.442 7.666 -17.343 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -36.658 8.766 -16.651 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -36.160 10.916 -18.812 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -36.210 11.434 -17.110 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -34.782 11.795 -18.108 1.00 0.00 H new ATOM 154 N ASN A 11 -36.761 9.326 -14.233 1.00 0.00 N ATOM 155 CA ASN A 11 -38.102 9.229 -13.662 1.00 0.00 C ATOM 156 C ASN A 11 -38.259 10.056 -12.369 1.00 0.00 C ATOM 157 O ASN A 11 -39.095 10.949 -12.313 1.00 0.00 O ATOM 158 CB ASN A 11 -38.403 7.730 -13.485 1.00 0.00 C ATOM 159 CG ASN A 11 -39.401 7.398 -12.386 1.00 0.00 C ATOM 160 OD1 ASN A 11 -40.608 7.505 -12.553 1.00 0.00 O ATOM 161 ND2 ASN A 11 -38.927 6.985 -11.232 1.00 0.00 N ATOM 0 H ASN A 11 -36.339 8.406 -14.360 1.00 0.00 H new ATOM 0 HA ASN A 11 -38.841 9.671 -14.331 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -38.781 7.337 -14.429 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -37.468 7.210 -13.275 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -39.566 6.752 -10.472 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -37.920 6.897 -11.096 1.00 0.00 H new ATOM 168 N GLU A 12 -37.500 9.749 -11.309 1.00 0.00 N ATOM 169 CA GLU A 12 -37.601 10.427 -10.012 1.00 0.00 C ATOM 170 C GLU A 12 -37.426 11.947 -10.133 1.00 0.00 C ATOM 171 O GLU A 12 -38.276 12.706 -9.669 1.00 0.00 O ATOM 172 CB GLU A 12 -36.707 9.753 -8.943 1.00 0.00 C ATOM 173 CG GLU A 12 -35.351 10.407 -8.651 1.00 0.00 C ATOM 174 CD GLU A 12 -34.485 9.542 -7.732 1.00 0.00 C ATOM 175 OE1 GLU A 12 -34.540 9.705 -6.490 1.00 0.00 O ATOM 176 OE2 GLU A 12 -33.672 8.744 -8.247 1.00 0.00 O ATOM 0 H GLU A 12 -36.792 9.015 -11.329 1.00 0.00 H new ATOM 0 HA GLU A 12 -38.620 10.303 -9.647 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -37.269 9.710 -8.010 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -36.526 8.724 -9.254 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -34.823 10.582 -9.588 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -35.510 11.381 -8.189 1.00 0.00 H new ATOM 183 N LEU A 13 -36.331 12.396 -10.756 1.00 0.00 N ATOM 184 CA LEU A 13 -36.061 13.786 -11.132 1.00 0.00 C ATOM 185 C LEU A 13 -37.105 14.466 -12.037 1.00 0.00 C ATOM 186 O LEU A 13 -37.365 15.653 -11.837 1.00 0.00 O ATOM 187 CB LEU A 13 -34.624 13.936 -11.643 1.00 0.00 C ATOM 188 CG LEU A 13 -33.552 13.558 -10.594 1.00 0.00 C ATOM 189 CD1 LEU A 13 -32.249 14.196 -11.041 1.00 0.00 C ATOM 190 CD2 LEU A 13 -33.790 14.041 -9.158 1.00 0.00 C ATOM 0 H LEU A 13 -35.573 11.769 -11.024 1.00 0.00 H new ATOM 0 HA LEU A 13 -36.166 14.355 -10.208 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -34.494 13.310 -12.526 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -34.465 14.967 -11.958 1.00 0.00 H new ATOM 0 HG LEU A 13 -33.563 12.469 -10.554 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -31.462 13.954 -10.327 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -31.976 13.815 -12.025 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -32.372 15.278 -11.093 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -32.968 13.711 -8.522 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -33.845 15.130 -9.145 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -34.726 13.626 -8.785 1.00 0.00 H new ATOM 202 N ARG A 14 -37.651 13.747 -13.038 1.00 0.00 N ATOM 203 CA ARG A 14 -38.348 14.254 -14.251 1.00 0.00 C ATOM 204 C ARG A 14 -38.453 15.792 -14.412 1.00 0.00 C ATOM 205 O ARG A 14 -39.529 16.357 -14.204 1.00 0.00 O ATOM 206 CB ARG A 14 -39.619 13.435 -14.617 1.00 0.00 C ATOM 207 CG ARG A 14 -41.004 13.706 -13.984 1.00 0.00 C ATOM 208 CD ARG A 14 -41.284 13.192 -12.565 1.00 0.00 C ATOM 209 NE ARG A 14 -40.373 13.689 -11.517 1.00 0.00 N ATOM 210 CZ ARG A 14 -40.328 14.892 -10.975 1.00 0.00 C ATOM 211 NH1 ARG A 14 -40.922 15.926 -11.495 1.00 0.00 N ATOM 212 NH2 ARG A 14 -39.663 15.073 -9.874 1.00 0.00 N ATOM 0 H ARG A 14 -37.618 12.728 -13.026 1.00 0.00 H new ATOM 0 HA ARG A 14 -37.644 14.042 -15.056 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -39.748 13.528 -15.695 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -39.384 12.390 -14.413 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -41.159 14.785 -13.980 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -41.758 13.278 -14.645 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -42.304 13.464 -12.294 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -41.237 12.103 -12.576 1.00 0.00 H new ATOM 0 HE ARG A 14 -39.690 13.017 -11.166 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -41.453 15.828 -12.360 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -40.857 16.835 -11.037 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -39.181 14.289 -9.435 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -39.623 15.999 -9.449 1.00 0.00 H new ATOM 226 N PRO A 15 -37.354 16.502 -14.753 1.00 0.00 N ATOM 227 CA PRO A 15 -37.299 17.971 -14.808 1.00 0.00 C ATOM 228 C PRO A 15 -38.031 18.580 -16.029 1.00 0.00 C ATOM 229 O PRO A 15 -37.420 19.196 -16.905 1.00 0.00 O ATOM 230 CB PRO A 15 -35.801 18.311 -14.739 1.00 0.00 C ATOM 231 CG PRO A 15 -35.145 17.121 -15.430 1.00 0.00 C ATOM 232 CD PRO A 15 -36.008 15.961 -14.941 1.00 0.00 C ATOM 0 HA PRO A 15 -37.844 18.422 -13.979 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -35.576 19.248 -15.249 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -35.459 18.418 -13.710 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -35.165 17.216 -16.516 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -34.101 17.004 -15.140 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -36.014 15.148 -15.667 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -35.619 15.553 -14.008 1.00 0.00 H new ATOM 240 N GLY A 16 -39.355 18.402 -16.109 1.00 0.00 N ATOM 241 CA GLY A 16 -40.227 19.026 -17.121 1.00 0.00 C ATOM 242 C GLY A 16 -40.012 18.523 -18.557 1.00 0.00 C ATOM 243 O GLY A 16 -40.229 19.265 -19.517 1.00 0.00 O ATOM 0 H GLY A 16 -39.866 17.806 -15.458 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -41.266 18.851 -16.842 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -40.068 20.104 -17.101 1.00 0.00 H new ATOM 247 N LEU A 17 -39.543 17.280 -18.701 1.00 0.00 N ATOM 248 CA LEU A 17 -39.103 16.671 -19.960 1.00 0.00 C ATOM 249 C LEU A 17 -40.220 15.911 -20.704 1.00 0.00 C ATOM 250 O LEU A 17 -41.291 15.650 -20.144 1.00 0.00 O ATOM 251 CB LEU A 17 -37.856 15.822 -19.674 1.00 0.00 C ATOM 252 CG LEU A 17 -37.959 14.772 -18.554 1.00 0.00 C ATOM 253 CD1 LEU A 17 -38.766 13.540 -18.942 1.00 0.00 C ATOM 254 CD2 LEU A 17 -36.546 14.324 -18.221 1.00 0.00 C ATOM 0 H LEU A 17 -39.456 16.643 -17.909 1.00 0.00 H new ATOM 0 HA LEU A 17 -38.837 17.460 -20.664 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -37.580 15.307 -20.594 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -37.037 16.498 -19.429 1.00 0.00 H new ATOM 0 HG LEU A 17 -38.474 15.236 -17.713 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -38.795 12.845 -18.103 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -39.782 13.837 -19.202 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -38.300 13.055 -19.799 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -36.579 13.577 -17.428 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -36.083 13.892 -19.108 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -35.961 15.182 -17.888 1.00 0.00 H new ATOM 266 N LYS A 18 -39.963 15.548 -21.967 1.00 0.00 N ATOM 267 CA LYS A 18 -40.852 14.737 -22.823 1.00 0.00 C ATOM 268 C LYS A 18 -40.120 13.642 -23.588 1.00 0.00 C ATOM 269 O LYS A 18 -39.057 13.894 -24.152 1.00 0.00 O ATOM 270 CB LYS A 18 -41.717 15.565 -23.782 1.00 0.00 C ATOM 271 CG LYS A 18 -40.940 16.454 -24.770 1.00 0.00 C ATOM 272 CD LYS A 18 -41.870 17.217 -25.729 1.00 0.00 C ATOM 273 CE LYS A 18 -42.607 16.308 -26.725 1.00 0.00 C ATOM 274 NZ LYS A 18 -41.700 15.786 -27.774 1.00 0.00 N ATOM 0 H LYS A 18 -39.102 15.818 -22.442 1.00 0.00 H new ATOM 0 HA LYS A 18 -41.525 14.257 -22.112 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -42.351 14.885 -24.352 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -42.379 16.199 -23.192 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -40.333 17.167 -24.213 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -40.254 15.836 -25.349 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -42.604 17.772 -25.145 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -41.284 17.950 -26.284 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -43.059 15.474 -26.189 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -43.419 16.865 -27.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -42.233 15.164 -28.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -41.301 16.580 -28.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -40.929 15.247 -27.330 1.00 0.00 H new ATOM 288 N TYR A 19 -40.704 12.447 -23.623 1.00 0.00 N ATOM 289 CA TYR A 19 -40.150 11.286 -24.315 1.00 0.00 C ATOM 290 C TYR A 19 -40.900 11.024 -25.627 1.00 0.00 C ATOM 291 O TYR A 19 -42.133 11.041 -25.681 1.00 0.00 O ATOM 292 CB TYR A 19 -40.277 10.012 -23.474 1.00 0.00 C ATOM 293 CG TYR A 19 -39.807 10.083 -22.049 1.00 0.00 C ATOM 294 CD1 TYR A 19 -38.481 9.743 -21.744 1.00 0.00 C ATOM 295 CD2 TYR A 19 -40.711 10.428 -21.030 1.00 0.00 C ATOM 296 CE1 TYR A 19 -38.037 9.786 -20.416 1.00 0.00 C ATOM 297 CE2 TYR A 19 -40.280 10.452 -19.696 1.00 0.00 C ATOM 298 CZ TYR A 19 -38.946 10.128 -19.382 1.00 0.00 C ATOM 299 OH TYR A 19 -38.575 10.142 -18.080 1.00 0.00 O ATOM 0 H TYR A 19 -41.593 12.255 -23.162 1.00 0.00 H new ATOM 0 HA TYR A 19 -39.100 11.515 -24.500 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -41.325 9.712 -23.470 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -39.721 9.219 -23.975 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -37.803 9.449 -22.532 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -41.734 10.674 -21.273 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -37.008 9.560 -20.181 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -40.971 10.719 -18.910 1.00 0.00 H new ATOM 0 HH TYR A 19 -39.339 10.403 -17.525 1.00 0.00 H new ATOM 309 N ASP A 20 -40.138 10.757 -26.679 1.00 0.00 N ATOM 310 CA ASP A 20 -40.596 10.418 -28.026 1.00 0.00 C ATOM 311 C ASP A 20 -39.988 9.066 -28.441 1.00 0.00 C ATOM 312 O ASP A 20 -38.769 8.878 -28.451 1.00 0.00 O ATOM 313 CB ASP A 20 -40.219 11.546 -28.995 1.00 0.00 C ATOM 314 CG ASP A 20 -40.769 12.902 -28.545 1.00 0.00 C ATOM 315 OD1 ASP A 20 -40.079 13.622 -27.783 1.00 0.00 O ATOM 316 OD2 ASP A 20 -41.890 13.277 -28.963 1.00 0.00 O ATOM 0 H ASP A 20 -39.120 10.771 -26.614 1.00 0.00 H new ATOM 0 HA ASP A 20 -41.681 10.317 -28.048 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -39.134 11.605 -29.077 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -40.601 11.312 -29.989 1.00 0.00 H new ATOM 321 N PHE A 21 -40.843 8.090 -28.739 1.00 0.00 N ATOM 322 CA PHE A 21 -40.474 6.679 -28.892 1.00 0.00 C ATOM 323 C PHE A 21 -40.449 6.257 -30.354 1.00 0.00 C ATOM 324 O PHE A 21 -41.381 6.517 -31.122 1.00 0.00 O ATOM 325 CB PHE A 21 -41.460 5.837 -28.068 1.00 0.00 C ATOM 326 CG PHE A 21 -41.425 4.357 -28.387 1.00 0.00 C ATOM 327 CD1 PHE A 21 -40.412 3.536 -27.860 1.00 0.00 C ATOM 328 CD2 PHE A 21 -42.389 3.814 -29.256 1.00 0.00 C ATOM 329 CE1 PHE A 21 -40.370 2.172 -28.196 1.00 0.00 C ATOM 330 CE2 PHE A 21 -42.341 2.453 -29.600 1.00 0.00 C ATOM 331 CZ PHE A 21 -41.331 1.632 -29.070 1.00 0.00 C ATOM 0 H PHE A 21 -41.838 8.260 -28.885 1.00 0.00 H new ATOM 0 HA PHE A 21 -39.461 6.521 -28.522 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -41.242 5.975 -27.009 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -42.470 6.211 -28.237 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -39.667 3.953 -27.198 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -43.167 4.445 -29.659 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -39.599 1.538 -27.783 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -43.079 2.038 -30.271 1.00 0.00 H new ATOM 0 HZ PHE A 21 -41.293 0.585 -29.334 1.00 0.00 H new ATOM 341 N LEU A 22 -39.352 5.593 -30.722 1.00 0.00 N ATOM 342 CA LEU A 22 -39.057 5.082 -32.033 1.00 0.00 C ATOM 343 C LEU A 22 -38.558 3.637 -31.841 1.00 0.00 C ATOM 344 O LEU A 22 -38.376 3.116 -30.740 1.00 0.00 O ATOM 345 CB LEU A 22 -38.129 6.017 -32.862 1.00 0.00 C ATOM 346 CG LEU A 22 -37.658 7.417 -32.374 1.00 0.00 C ATOM 347 CD1 LEU A 22 -38.762 8.477 -32.343 1.00 0.00 C ATOM 348 CD2 LEU A 22 -36.857 7.497 -31.079 1.00 0.00 C ATOM 0 H LEU A 22 -38.605 5.392 -30.057 1.00 0.00 H new ATOM 0 HA LEU A 22 -39.948 5.059 -32.661 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -37.225 5.445 -33.070 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -38.630 6.178 -33.816 1.00 0.00 H new ATOM 0 HG LEU A 22 -36.945 7.639 -33.168 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -38.349 9.422 -31.991 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -39.168 8.609 -33.346 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -39.556 8.155 -31.670 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -36.602 8.536 -30.872 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -37.453 7.099 -30.258 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -35.942 6.913 -31.180 1.00 0.00 H new ATOM 360 N SER A 23 -38.455 2.909 -32.927 1.00 0.00 N ATOM 361 CA SER A 23 -38.006 1.520 -32.916 1.00 0.00 C ATOM 362 C SER A 23 -37.299 1.154 -34.213 1.00 0.00 C ATOM 363 O SER A 23 -37.342 1.882 -35.206 1.00 0.00 O ATOM 364 CB SER A 23 -39.179 0.582 -32.586 1.00 0.00 C ATOM 365 OG SER A 23 -40.233 0.680 -33.527 1.00 0.00 O ATOM 0 H SER A 23 -38.681 3.260 -33.858 1.00 0.00 H new ATOM 0 HA SER A 23 -37.265 1.396 -32.127 1.00 0.00 H new ATOM 0 HB2 SER A 23 -38.820 -0.447 -32.554 1.00 0.00 H new ATOM 0 HB3 SER A 23 -39.560 0.818 -31.592 1.00 0.00 H new ATOM 0 HG SER A 23 -40.954 0.065 -33.276 1.00 0.00 H new ATOM 490 N PHE A 33 -35.150 -1.261 -29.847 1.00 0.00 N ATOM 491 CA PHE A 33 -36.175 -0.241 -29.632 1.00 0.00 C ATOM 492 C PHE A 33 -35.477 1.035 -29.181 1.00 0.00 C ATOM 493 O PHE A 33 -34.546 0.980 -28.383 1.00 0.00 O ATOM 494 CB PHE A 33 -37.132 -0.602 -28.490 1.00 0.00 C ATOM 495 CG PHE A 33 -37.960 -1.863 -28.621 1.00 0.00 C ATOM 496 CD1 PHE A 33 -37.353 -3.130 -28.653 1.00 0.00 C ATOM 497 CD2 PHE A 33 -39.362 -1.770 -28.601 1.00 0.00 C ATOM 498 CE1 PHE A 33 -38.140 -4.291 -28.720 1.00 0.00 C ATOM 499 CE2 PHE A 33 -40.153 -2.927 -28.677 1.00 0.00 C ATOM 500 CZ PHE A 33 -39.543 -4.192 -28.750 1.00 0.00 C ATOM 0 HA PHE A 33 -36.733 -0.142 -30.563 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -36.544 -0.684 -27.576 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -37.818 0.234 -28.354 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -36.276 -3.211 -28.626 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -39.834 -0.802 -28.527 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -37.667 -5.262 -28.749 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -41.230 -2.846 -28.679 1.00 0.00 H new ATOM 0 HZ PHE A 33 -40.148 -5.083 -28.829 1.00 0.00 H new ATOM 510 N VAL A 34 -35.854 2.187 -29.716 1.00 0.00 N ATOM 511 CA VAL A 34 -35.113 3.427 -29.449 1.00 0.00 C ATOM 512 C VAL A 34 -35.947 4.540 -28.816 1.00 0.00 C ATOM 513 O VAL A 34 -37.024 4.904 -29.269 1.00 0.00 O ATOM 514 CB VAL A 34 -34.351 3.796 -30.716 1.00 0.00 C ATOM 515 CG1 VAL A 34 -35.203 4.015 -31.932 1.00 0.00 C ATOM 516 CG2 VAL A 34 -33.426 4.992 -30.537 1.00 0.00 C ATOM 0 H VAL A 34 -36.659 2.297 -30.332 1.00 0.00 H new ATOM 0 HA VAL A 34 -34.384 3.260 -28.656 1.00 0.00 H new ATOM 0 HB VAL A 34 -33.754 2.902 -30.896 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -34.568 4.273 -32.780 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -35.757 3.104 -32.157 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -35.904 4.828 -31.744 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -32.915 5.200 -31.477 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -34.011 5.863 -30.241 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -32.689 4.770 -29.765 1.00 0.00 H new ATOM 526 N MET A 35 -35.445 5.106 -27.727 1.00 0.00 N ATOM 527 CA MET A 35 -36.137 6.129 -26.948 1.00 0.00 C ATOM 528 C MET A 35 -35.393 7.435 -27.030 1.00 0.00 C ATOM 529 O MET A 35 -34.218 7.516 -26.696 1.00 0.00 O ATOM 530 CB MET A 35 -36.256 5.696 -25.475 1.00 0.00 C ATOM 531 CG MET A 35 -37.421 4.736 -25.218 1.00 0.00 C ATOM 532 SD MET A 35 -39.041 5.457 -24.789 1.00 0.00 S ATOM 533 CE MET A 35 -39.053 7.098 -25.561 1.00 0.00 C ATOM 0 H MET A 35 -34.528 4.864 -27.351 1.00 0.00 H new ATOM 0 HA MET A 35 -37.137 6.257 -27.362 1.00 0.00 H new ATOM 0 HB2 MET A 35 -35.326 5.218 -25.168 1.00 0.00 H new ATOM 0 HB3 MET A 35 -36.380 6.582 -24.852 1.00 0.00 H new ATOM 0 HG2 MET A 35 -37.553 4.124 -26.110 1.00 0.00 H new ATOM 0 HG3 MET A 35 -37.129 4.064 -24.411 1.00 0.00 H new ATOM 0 HE1 MET A 35 -40.042 7.544 -25.453 1.00 0.00 H new ATOM 0 HE2 MET A 35 -38.313 7.734 -25.075 1.00 0.00 H new ATOM 0 HE3 MET A 35 -38.811 7.004 -26.620 1.00 0.00 H new ATOM 543 N SER A 36 -36.109 8.468 -27.440 1.00 0.00 N ATOM 544 CA SER A 36 -35.607 9.824 -27.537 1.00 0.00 C ATOM 545 C SER A 36 -36.308 10.757 -26.554 1.00 0.00 C ATOM 546 O SER A 36 -37.451 10.517 -26.178 1.00 0.00 O ATOM 547 CB SER A 36 -35.612 10.284 -28.984 1.00 0.00 C ATOM 548 OG SER A 36 -36.906 10.580 -29.461 1.00 0.00 O ATOM 0 H SER A 36 -37.085 8.381 -27.723 1.00 0.00 H new ATOM 0 HA SER A 36 -34.563 9.851 -27.225 1.00 0.00 H new ATOM 0 HB2 SER A 36 -34.983 11.169 -29.081 1.00 0.00 H new ATOM 0 HB3 SER A 36 -35.169 9.508 -29.608 1.00 0.00 H new ATOM 0 HG SER A 36 -37.567 10.056 -28.961 1.00 0.00 H new ATOM 554 N VAL A 37 -35.582 11.704 -25.969 1.00 0.00 N ATOM 555 CA VAL A 37 -36.090 12.613 -24.931 1.00 0.00 C ATOM 556 C VAL A 37 -35.654 14.049 -25.202 1.00 0.00 C ATOM 557 O VAL A 37 -34.482 14.289 -25.493 1.00 0.00 O ATOM 558 CB VAL A 37 -35.691 12.214 -23.496 1.00 0.00 C ATOM 559 CG1 VAL A 37 -36.782 12.568 -22.483 1.00 0.00 C ATOM 560 CG2 VAL A 37 -35.213 10.786 -23.273 1.00 0.00 C ATOM 0 H VAL A 37 -34.603 11.870 -26.203 1.00 0.00 H new ATOM 0 HA VAL A 37 -37.176 12.534 -24.988 1.00 0.00 H new ATOM 0 HB VAL A 37 -34.801 12.820 -23.331 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -36.462 12.271 -21.484 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -36.961 13.643 -22.502 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -37.702 12.043 -22.740 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -34.967 10.645 -22.221 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -36.002 10.090 -23.557 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -34.328 10.599 -23.881 1.00 0.00 H new ATOM 570 N VAL A 38 -36.571 15.005 -25.052 1.00 0.00 N ATOM 571 CA VAL A 38 -36.276 16.448 -25.065 1.00 0.00 C ATOM 572 C VAL A 38 -36.341 16.898 -23.606 1.00 0.00 C ATOM 573 O VAL A 38 -37.361 16.722 -22.933 1.00 0.00 O ATOM 574 CB VAL A 38 -37.304 17.254 -25.890 1.00 0.00 C ATOM 575 CG1 VAL A 38 -36.940 18.744 -25.906 1.00 0.00 C ATOM 576 CG2 VAL A 38 -37.413 16.795 -27.347 1.00 0.00 C ATOM 0 H VAL A 38 -37.561 14.800 -24.915 1.00 0.00 H new ATOM 0 HA VAL A 38 -35.303 16.623 -25.525 1.00 0.00 H new ATOM 0 HB VAL A 38 -38.261 17.081 -25.398 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -37.677 19.292 -26.492 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -36.930 19.127 -24.886 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -35.953 18.873 -26.351 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -38.153 17.405 -27.866 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -36.445 16.904 -27.836 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -37.719 15.749 -27.377 1.00 0.00 H new ATOM 586 N VAL A 39 -35.205 17.392 -23.101 1.00 0.00 N ATOM 587 CA VAL A 39 -34.922 17.441 -21.647 1.00 0.00 C ATOM 588 C VAL A 39 -34.385 18.798 -21.183 1.00 0.00 C ATOM 589 O VAL A 39 -34.679 19.233 -20.070 1.00 0.00 O ATOM 590 CB VAL A 39 -33.923 16.317 -21.258 1.00 0.00 C ATOM 591 CG1 VAL A 39 -33.576 16.320 -19.764 1.00 0.00 C ATOM 592 CG2 VAL A 39 -34.433 14.930 -21.622 1.00 0.00 C ATOM 0 H VAL A 39 -34.454 17.769 -23.679 1.00 0.00 H new ATOM 0 HA VAL A 39 -35.874 17.287 -21.140 1.00 0.00 H new ATOM 0 HB VAL A 39 -33.026 16.539 -21.836 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -32.875 15.513 -19.552 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -33.122 17.275 -19.498 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -34.484 16.174 -19.179 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -33.696 14.183 -21.328 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -35.371 14.739 -21.101 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -34.598 14.874 -22.698 1.00 0.00 H new ATOM 602 N ASP A 40 -33.609 19.479 -22.027 1.00 0.00 N ATOM 603 CA ASP A 40 -32.695 20.554 -21.595 1.00 0.00 C ATOM 604 C ASP A 40 -32.707 21.786 -22.530 1.00 0.00 C ATOM 605 O ASP A 40 -31.788 22.607 -22.547 1.00 0.00 O ATOM 606 CB ASP A 40 -31.318 19.892 -21.452 1.00 0.00 C ATOM 607 CG ASP A 40 -30.256 20.816 -20.847 1.00 0.00 C ATOM 608 OD1 ASP A 40 -30.531 21.475 -19.816 1.00 0.00 O ATOM 609 OD2 ASP A 40 -29.136 20.839 -21.405 1.00 0.00 O ATOM 0 H ASP A 40 -33.591 19.306 -23.032 1.00 0.00 H new ATOM 0 HA ASP A 40 -33.014 20.983 -20.645 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -31.414 19.004 -20.828 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -30.981 19.557 -22.433 1.00 0.00 H new ATOM 614 N GLY A 41 -33.708 21.844 -23.415 1.00 0.00 N ATOM 615 CA GLY A 41 -33.627 22.559 -24.698 1.00 0.00 C ATOM 616 C GLY A 41 -32.864 21.726 -25.740 1.00 0.00 C ATOM 617 O GLY A 41 -32.892 22.017 -26.936 1.00 0.00 O ATOM 0 H GLY A 41 -34.609 21.391 -23.261 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -34.631 22.775 -25.063 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -33.127 23.517 -24.555 1.00 0.00 H new ATOM 621 N GLN A 42 -32.222 20.654 -25.264 1.00 0.00 N ATOM 622 CA GLN A 42 -31.495 19.643 -26.004 1.00 0.00 C ATOM 623 C GLN A 42 -32.298 18.340 -26.081 1.00 0.00 C ATOM 624 O GLN A 42 -33.231 18.099 -25.300 1.00 0.00 O ATOM 625 CB GLN A 42 -30.152 19.370 -25.310 1.00 0.00 C ATOM 626 CG GLN A 42 -29.373 20.625 -24.885 1.00 0.00 C ATOM 627 CD GLN A 42 -27.883 20.332 -24.703 1.00 0.00 C ATOM 628 OE1 GLN A 42 -27.139 20.129 -25.655 1.00 0.00 O ATOM 629 NE2 GLN A 42 -27.385 20.291 -23.487 1.00 0.00 N ATOM 0 H GLN A 42 -32.202 20.464 -24.262 1.00 0.00 H new ATOM 0 HA GLN A 42 -31.327 20.009 -27.017 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -30.334 18.758 -24.427 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -29.526 18.782 -25.982 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -29.501 21.405 -25.636 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -29.785 21.010 -23.952 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -27.989 20.458 -22.682 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -26.394 20.093 -23.348 1.00 0.00 H new ATOM 638 N PHE A 43 -31.865 17.485 -27.002 1.00 0.00 N ATOM 639 CA PHE A 43 -32.510 16.239 -27.393 1.00 0.00 C ATOM 640 C PHE A 43 -31.489 15.096 -27.370 1.00 0.00 C ATOM 641 O PHE A 43 -30.342 15.256 -27.801 1.00 0.00 O ATOM 642 CB PHE A 43 -33.106 16.454 -28.791 1.00 0.00 C ATOM 643 CG PHE A 43 -33.798 15.261 -29.422 1.00 0.00 C ATOM 644 CD1 PHE A 43 -34.946 14.710 -28.823 1.00 0.00 C ATOM 645 CD2 PHE A 43 -33.344 14.749 -30.653 1.00 0.00 C ATOM 646 CE1 PHE A 43 -35.665 13.693 -29.472 1.00 0.00 C ATOM 647 CE2 PHE A 43 -34.052 13.717 -31.295 1.00 0.00 C ATOM 648 CZ PHE A 43 -35.223 13.203 -30.713 1.00 0.00 C ATOM 0 H PHE A 43 -31.005 17.654 -27.524 1.00 0.00 H new ATOM 0 HA PHE A 43 -33.305 15.963 -26.701 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -33.823 17.273 -28.734 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -32.306 16.776 -29.457 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -35.276 15.071 -27.860 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -32.449 15.150 -31.106 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -36.557 13.288 -29.018 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -33.696 13.320 -32.234 1.00 0.00 H new ATOM 0 HZ PHE A 43 -35.784 12.431 -31.219 1.00 0.00 H new ATOM 658 N PHE A 44 -31.919 13.943 -26.867 1.00 0.00 N ATOM 659 CA PHE A 44 -31.097 12.754 -26.634 1.00 0.00 C ATOM 660 C PHE A 44 -31.818 11.527 -27.193 1.00 0.00 C ATOM 661 O PHE A 44 -33.045 11.511 -27.233 1.00 0.00 O ATOM 662 CB PHE A 44 -30.860 12.597 -25.119 1.00 0.00 C ATOM 663 CG PHE A 44 -30.253 13.816 -24.443 1.00 0.00 C ATOM 664 CD1 PHE A 44 -31.088 14.828 -23.928 1.00 0.00 C ATOM 665 CD2 PHE A 44 -28.855 13.959 -24.365 1.00 0.00 C ATOM 666 CE1 PHE A 44 -30.526 15.983 -23.356 1.00 0.00 C ATOM 667 CE2 PHE A 44 -28.295 15.110 -23.784 1.00 0.00 C ATOM 668 CZ PHE A 44 -29.131 16.123 -23.280 1.00 0.00 C ATOM 0 H PHE A 44 -32.893 13.803 -26.598 1.00 0.00 H new ATOM 0 HA PHE A 44 -30.135 12.855 -27.136 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -31.811 12.367 -24.638 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -30.204 11.742 -24.954 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -32.161 14.716 -23.973 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -28.211 13.183 -24.752 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -31.168 16.763 -22.975 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -27.222 15.217 -23.724 1.00 0.00 H new ATOM 0 HZ PHE A 44 -28.700 17.008 -22.835 1.00 0.00 H new ATOM 678 N GLU A 45 -31.087 10.485 -27.587 1.00 0.00 N ATOM 679 CA GLU A 45 -31.649 9.195 -28.018 1.00 0.00 C ATOM 680 C GLU A 45 -30.806 8.023 -27.501 1.00 0.00 C ATOM 681 O GLU A 45 -29.571 8.071 -27.499 1.00 0.00 O ATOM 682 CB GLU A 45 -31.945 9.149 -29.530 1.00 0.00 C ATOM 683 CG GLU A 45 -30.755 8.986 -30.489 1.00 0.00 C ATOM 684 CD GLU A 45 -30.262 7.537 -30.722 1.00 0.00 C ATOM 685 OE1 GLU A 45 -30.719 6.584 -30.052 1.00 0.00 O ATOM 686 OE2 GLU A 45 -29.403 7.343 -31.618 1.00 0.00 O ATOM 0 H GLU A 45 -30.068 10.509 -27.618 1.00 0.00 H new ATOM 0 HA GLU A 45 -32.629 9.086 -27.553 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -32.636 8.326 -29.711 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -32.467 10.068 -29.797 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -31.030 9.414 -31.453 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -29.922 9.574 -30.105 1.00 0.00 H new ATOM 693 N GLY A 46 -31.496 7.009 -26.987 1.00 0.00 N ATOM 694 CA GLY A 46 -30.950 5.772 -26.460 1.00 0.00 C ATOM 695 C GLY A 46 -31.582 4.559 -27.130 1.00 0.00 C ATOM 696 O GLY A 46 -32.797 4.378 -27.065 1.00 0.00 O ATOM 0 H GLY A 46 -32.514 7.035 -26.926 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -29.871 5.754 -26.613 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -31.120 5.726 -25.384 1.00 0.00 H new ATOM 700 N SER A 47 -30.766 3.700 -27.737 1.00 0.00 N ATOM 701 CA SER A 47 -31.224 2.495 -28.435 1.00 0.00 C ATOM 702 C SER A 47 -30.931 1.249 -27.602 1.00 0.00 C ATOM 703 O SER A 47 -29.796 1.002 -27.184 1.00 0.00 O ATOM 704 CB SER A 47 -30.586 2.407 -29.812 1.00 0.00 C ATOM 705 OG SER A 47 -30.861 1.134 -30.349 1.00 0.00 O ATOM 0 H SER A 47 -29.753 3.821 -27.760 1.00 0.00 H new ATOM 0 HA SER A 47 -32.304 2.556 -28.570 1.00 0.00 H new ATOM 0 HB2 SER A 47 -30.981 3.187 -30.463 1.00 0.00 H new ATOM 0 HB3 SER A 47 -29.510 2.565 -29.742 1.00 0.00 H new ATOM 0 HG SER A 47 -30.458 1.060 -31.239 1.00 0.00 H new ATOM 711 N GLY A 48 -32.008 0.543 -27.264 1.00 0.00 N ATOM 712 CA GLY A 48 -32.023 -0.562 -26.304 1.00 0.00 C ATOM 713 C GLY A 48 -32.919 -1.751 -26.661 1.00 0.00 C ATOM 714 O GLY A 48 -33.952 -1.593 -27.306 1.00 0.00 O ATOM 0 H GLY A 48 -32.927 0.730 -27.664 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -31.003 -0.925 -26.183 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -32.339 -0.172 -25.337 1.00 0.00 H new ATOM 718 N ARG A 49 -32.549 -2.967 -26.246 1.00 0.00 N ATOM 719 CA ARG A 49 -33.359 -4.192 -26.441 1.00 0.00 C ATOM 720 C ARG A 49 -34.846 -4.112 -26.041 1.00 0.00 C ATOM 721 O ARG A 49 -35.652 -4.827 -26.629 1.00 0.00 O ATOM 722 CB ARG A 49 -32.673 -5.394 -25.765 1.00 0.00 C ATOM 723 CG ARG A 49 -31.322 -5.781 -26.392 1.00 0.00 C ATOM 724 CD ARG A 49 -31.465 -6.006 -27.902 1.00 0.00 C ATOM 725 NE ARG A 49 -30.399 -6.867 -28.442 1.00 0.00 N ATOM 726 CZ ARG A 49 -30.543 -7.685 -29.465 1.00 0.00 C ATOM 727 NH1 ARG A 49 -31.637 -7.730 -30.164 1.00 0.00 N ATOM 728 NH2 ARG A 49 -29.595 -8.494 -29.829 1.00 0.00 N ATOM 0 H ARG A 49 -31.670 -3.139 -25.759 1.00 0.00 H new ATOM 0 HA ARG A 49 -33.395 -4.320 -27.523 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -32.520 -5.165 -24.710 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -33.342 -6.253 -25.811 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -30.591 -4.994 -26.205 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -30.943 -6.687 -25.919 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -32.435 -6.459 -28.109 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -31.446 -5.044 -28.414 1.00 0.00 H new ATOM 0 HE ARG A 49 -29.484 -6.827 -27.992 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -32.419 -7.120 -29.927 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -31.714 -8.376 -30.950 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -28.712 -8.507 -29.319 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -29.734 -9.117 -30.625 1.00 0.00 H new ATOM 742 N ASN A 50 -35.214 -3.233 -25.104 1.00 0.00 N ATOM 743 CA ASN A 50 -36.542 -2.594 -24.982 1.00 0.00 C ATOM 744 C ASN A 50 -36.408 -1.332 -24.098 1.00 0.00 C ATOM 745 O ASN A 50 -35.302 -1.021 -23.662 1.00 0.00 O ATOM 746 CB ASN A 50 -37.603 -3.589 -24.451 1.00 0.00 C ATOM 747 CG ASN A 50 -39.004 -3.289 -24.976 1.00 0.00 C ATOM 748 OD1 ASN A 50 -39.480 -2.160 -24.965 1.00 0.00 O ATOM 749 ND2 ASN A 50 -39.718 -4.276 -25.457 1.00 0.00 N ATOM 0 H ASN A 50 -34.570 -2.929 -24.373 1.00 0.00 H new ATOM 0 HA ASN A 50 -36.896 -2.288 -25.966 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -37.321 -4.602 -24.737 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -37.613 -3.557 -23.362 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -40.656 -4.099 -25.816 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -39.336 -5.221 -25.473 1.00 0.00 H new ATOM 756 N LYS A 51 -37.497 -0.620 -23.778 1.00 0.00 N ATOM 757 CA LYS A 51 -37.546 0.612 -22.954 1.00 0.00 C ATOM 758 C LYS A 51 -36.729 0.567 -21.658 1.00 0.00 C ATOM 759 O LYS A 51 -36.040 1.541 -21.381 1.00 0.00 O ATOM 760 CB LYS A 51 -39.009 0.996 -22.682 1.00 0.00 C ATOM 761 CG LYS A 51 -39.610 1.656 -23.939 1.00 0.00 C ATOM 762 CD LYS A 51 -41.140 1.796 -23.908 1.00 0.00 C ATOM 763 CE LYS A 51 -41.918 0.467 -23.928 1.00 0.00 C ATOM 764 NZ LYS A 51 -41.665 -0.339 -25.155 1.00 0.00 N ATOM 0 H LYS A 51 -38.424 -0.898 -24.102 1.00 0.00 H new ATOM 0 HA LYS A 51 -37.057 1.386 -23.546 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -39.585 0.110 -22.413 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -39.065 1.681 -21.836 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -39.169 2.645 -24.062 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -39.328 1.070 -24.813 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -41.421 2.350 -23.012 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -41.452 2.395 -24.764 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -41.645 -0.121 -23.052 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -42.985 0.676 -23.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -42.514 -0.892 -25.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -41.437 0.296 -25.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -40.867 -0.985 -24.988 1.00 0.00 H new ATOM 778 N LYS A 52 -36.687 -0.558 -20.932 1.00 0.00 N ATOM 779 CA LYS A 52 -35.812 -0.749 -19.744 1.00 0.00 C ATOM 780 C LYS A 52 -34.309 -0.521 -19.986 1.00 0.00 C ATOM 781 O LYS A 52 -33.556 -0.338 -19.031 1.00 0.00 O ATOM 782 CB LYS A 52 -36.084 -2.107 -19.060 1.00 0.00 C ATOM 783 CG LYS A 52 -35.377 -3.346 -19.648 1.00 0.00 C ATOM 784 CD LYS A 52 -35.836 -3.729 -21.064 1.00 0.00 C ATOM 785 CE LYS A 52 -35.109 -4.967 -21.615 1.00 0.00 C ATOM 786 NZ LYS A 52 -35.434 -6.207 -20.857 1.00 0.00 N ATOM 0 H LYS A 52 -37.260 -1.374 -21.146 1.00 0.00 H new ATOM 0 HA LYS A 52 -36.094 0.053 -19.062 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -35.798 -2.021 -18.012 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -37.159 -2.288 -19.084 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -34.303 -3.162 -19.665 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -35.544 -4.194 -18.984 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -36.909 -3.919 -21.053 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -35.668 -2.887 -21.735 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -35.377 -5.105 -22.662 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -34.033 -4.797 -21.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -34.959 -7.019 -21.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -35.108 -6.109 -19.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -36.463 -6.360 -20.867 1.00 0.00 H new ATOM 800 N LEU A 53 -33.892 -0.507 -21.254 1.00 0.00 N ATOM 801 CA LEU A 53 -32.530 -0.277 -21.733 1.00 0.00 C ATOM 802 C LEU A 53 -32.463 0.906 -22.725 1.00 0.00 C ATOM 803 O LEU A 53 -31.537 1.705 -22.663 1.00 0.00 O ATOM 804 CB LEU A 53 -32.025 -1.607 -22.326 1.00 0.00 C ATOM 805 CG LEU A 53 -30.607 -1.583 -22.925 1.00 0.00 C ATOM 806 CD1 LEU A 53 -29.558 -1.036 -21.956 1.00 0.00 C ATOM 807 CD2 LEU A 53 -30.196 -3.005 -23.308 1.00 0.00 C ATOM 0 H LEU A 53 -34.542 -0.667 -22.024 1.00 0.00 H new ATOM 0 HA LEU A 53 -31.874 0.021 -20.915 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -32.055 -2.365 -21.544 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -32.721 -1.923 -23.103 1.00 0.00 H new ATOM 0 HG LEU A 53 -30.645 -0.923 -23.792 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -28.580 -1.045 -22.436 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -29.817 -0.014 -21.678 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -29.529 -1.659 -21.062 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -29.192 -2.992 -23.733 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -30.206 -3.638 -22.421 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -30.896 -3.400 -24.044 1.00 0.00 H new ATOM 819 N ALA A 54 -33.433 1.049 -23.632 1.00 0.00 N ATOM 820 CA ALA A 54 -33.594 2.206 -24.520 1.00 0.00 C ATOM 821 C ALA A 54 -33.684 3.531 -23.742 1.00 0.00 C ATOM 822 O ALA A 54 -32.850 4.429 -23.900 1.00 0.00 O ATOM 823 CB ALA A 54 -34.796 1.956 -25.444 1.00 0.00 C ATOM 0 H ALA A 54 -34.152 0.340 -23.774 1.00 0.00 H new ATOM 0 HA ALA A 54 -32.704 2.316 -25.140 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -34.927 2.809 -26.110 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -34.619 1.058 -26.036 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -35.696 1.824 -24.843 1.00 0.00 H new ATOM 829 N LYS A 55 -34.672 3.614 -22.834 1.00 0.00 N ATOM 830 CA LYS A 55 -34.780 4.693 -21.847 1.00 0.00 C ATOM 831 C LYS A 55 -33.488 4.776 -21.046 1.00 0.00 C ATOM 832 O LYS A 55 -32.998 5.874 -20.921 1.00 0.00 O ATOM 833 CB LYS A 55 -36.038 4.538 -20.965 1.00 0.00 C ATOM 834 CG LYS A 55 -36.420 5.851 -20.263 1.00 0.00 C ATOM 835 CD LYS A 55 -37.921 6.152 -20.230 1.00 0.00 C ATOM 836 CE LYS A 55 -38.534 6.245 -21.632 1.00 0.00 C ATOM 837 NZ LYS A 55 -39.935 6.741 -21.578 1.00 0.00 N ATOM 0 H LYS A 55 -35.422 2.926 -22.767 1.00 0.00 H new ATOM 0 HA LYS A 55 -34.911 5.644 -22.363 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -36.872 4.201 -21.581 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -35.862 3.766 -20.216 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -36.048 5.820 -19.239 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -35.910 6.675 -20.763 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -38.432 5.372 -19.665 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -38.088 7.090 -19.701 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -37.933 6.912 -22.250 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -38.511 5.264 -22.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -40.484 6.314 -22.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -40.361 6.480 -20.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -39.941 7.776 -21.680 1.00 0.00 H new ATOM 851 N ALA A 56 -32.890 3.685 -20.548 1.00 0.00 N ATOM 852 CA ALA A 56 -31.647 3.715 -19.783 1.00 0.00 C ATOM 853 C ALA A 56 -30.500 4.407 -20.515 1.00 0.00 C ATOM 854 O ALA A 56 -29.843 5.257 -19.928 1.00 0.00 O ATOM 855 CB ALA A 56 -31.259 2.292 -19.363 1.00 0.00 C ATOM 0 H ALA A 56 -33.266 2.745 -20.670 1.00 0.00 H new ATOM 0 HA ALA A 56 -31.833 4.318 -18.894 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -30.331 2.321 -18.793 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -32.050 1.866 -18.746 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -31.120 1.676 -20.251 1.00 0.00 H new ATOM 861 N ARG A 57 -30.265 4.079 -21.789 1.00 0.00 N ATOM 862 CA ARG A 57 -29.335 4.803 -22.659 1.00 0.00 C ATOM 863 C ARG A 57 -29.650 6.297 -22.753 1.00 0.00 C ATOM 864 O ARG A 57 -28.793 7.126 -22.438 1.00 0.00 O ATOM 865 CB ARG A 57 -29.274 4.122 -24.045 1.00 0.00 C ATOM 866 CG ARG A 57 -28.425 2.842 -24.133 1.00 0.00 C ATOM 867 CD ARG A 57 -27.060 2.928 -23.436 1.00 0.00 C ATOM 868 NE ARG A 57 -26.373 4.226 -23.655 1.00 0.00 N ATOM 869 CZ ARG A 57 -25.629 4.855 -22.762 1.00 0.00 C ATOM 870 NH1 ARG A 57 -25.172 4.260 -21.702 1.00 0.00 N ATOM 871 NH2 ARG A 57 -25.341 6.118 -22.876 1.00 0.00 N ATOM 0 H ARG A 57 -30.722 3.292 -22.251 1.00 0.00 H new ATOM 0 HA ARG A 57 -28.344 4.751 -22.208 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -30.291 3.881 -24.354 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -28.884 4.842 -24.764 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -28.989 2.018 -23.697 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -28.266 2.599 -25.184 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -27.195 2.772 -22.366 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -26.423 2.121 -23.798 1.00 0.00 H new ATOM 0 HE ARG A 57 -26.484 4.668 -24.568 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -25.385 3.276 -21.538 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -24.600 4.777 -21.034 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -25.692 6.651 -23.671 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -24.764 6.575 -22.170 1.00 0.00 H new ATOM 885 N ALA A 58 -30.864 6.636 -23.186 1.00 0.00 N ATOM 886 CA ALA A 58 -31.325 8.020 -23.340 1.00 0.00 C ATOM 887 C ALA A 58 -31.185 8.827 -22.037 1.00 0.00 C ATOM 888 O ALA A 58 -30.554 9.883 -21.988 1.00 0.00 O ATOM 889 CB ALA A 58 -32.772 7.984 -23.844 1.00 0.00 C ATOM 0 H ALA A 58 -31.569 5.946 -23.445 1.00 0.00 H new ATOM 0 HA ALA A 58 -30.697 8.536 -24.066 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -33.140 9.003 -23.967 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -32.811 7.466 -24.802 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -33.396 7.458 -23.121 1.00 0.00 H new ATOM 895 N ALA A 59 -31.740 8.252 -20.972 1.00 0.00 N ATOM 896 CA ALA A 59 -31.668 8.673 -19.581 1.00 0.00 C ATOM 897 C ALA A 59 -30.233 8.892 -19.126 1.00 0.00 C ATOM 898 O ALA A 59 -29.929 9.993 -18.711 1.00 0.00 O ATOM 899 CB ALA A 59 -32.341 7.630 -18.675 1.00 0.00 C ATOM 0 H ALA A 59 -32.300 7.405 -21.073 1.00 0.00 H new ATOM 0 HA ALA A 59 -32.194 9.624 -19.503 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -32.280 7.957 -17.637 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -33.387 7.521 -18.961 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -31.833 6.672 -18.784 1.00 0.00 H new ATOM 905 N GLN A 60 -29.348 7.894 -19.195 1.00 0.00 N ATOM 906 CA GLN A 60 -27.949 8.005 -18.770 1.00 0.00 C ATOM 907 C GLN A 60 -27.248 9.167 -19.476 1.00 0.00 C ATOM 908 O GLN A 60 -26.576 9.968 -18.824 1.00 0.00 O ATOM 909 CB GLN A 60 -27.235 6.660 -19.005 1.00 0.00 C ATOM 910 CG GLN A 60 -25.811 6.578 -18.428 1.00 0.00 C ATOM 911 CD GLN A 60 -24.713 7.112 -19.355 1.00 0.00 C ATOM 912 OE1 GLN A 60 -24.203 6.410 -20.216 1.00 0.00 O ATOM 913 NE2 GLN A 60 -24.295 8.351 -19.248 1.00 0.00 N ATOM 0 H GLN A 60 -29.587 6.970 -19.554 1.00 0.00 H new ATOM 0 HA GLN A 60 -27.911 8.228 -17.704 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -27.836 5.864 -18.567 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -27.189 6.471 -20.078 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -25.780 7.135 -17.492 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -25.590 5.538 -18.187 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -24.698 8.966 -18.541 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -23.567 8.699 -19.872 1.00 0.00 H new ATOM 922 N SER A 61 -27.412 9.259 -20.798 1.00 0.00 N ATOM 923 CA SER A 61 -26.890 10.359 -21.621 1.00 0.00 C ATOM 924 C SER A 61 -27.363 11.735 -21.118 1.00 0.00 C ATOM 925 O SER A 61 -26.549 12.603 -20.780 1.00 0.00 O ATOM 926 CB SER A 61 -27.244 10.136 -23.101 1.00 0.00 C ATOM 927 OG SER A 61 -26.909 8.819 -23.519 1.00 0.00 O ATOM 0 H SER A 61 -27.920 8.559 -21.339 1.00 0.00 H new ATOM 0 HA SER A 61 -25.804 10.359 -21.529 1.00 0.00 H new ATOM 0 HB2 SER A 61 -28.310 10.308 -23.252 1.00 0.00 H new ATOM 0 HB3 SER A 61 -26.713 10.862 -23.717 1.00 0.00 H new ATOM 0 HG SER A 61 -27.602 8.194 -23.219 1.00 0.00 H new ATOM 933 N ALA A 62 -28.684 11.913 -21.007 1.00 0.00 N ATOM 934 CA ALA A 62 -29.321 13.096 -20.432 1.00 0.00 C ATOM 935 C ALA A 62 -28.832 13.404 -19.006 1.00 0.00 C ATOM 936 O ALA A 62 -28.350 14.506 -18.769 1.00 0.00 O ATOM 937 CB ALA A 62 -30.841 12.909 -20.500 1.00 0.00 C ATOM 0 H ALA A 62 -29.357 11.215 -21.325 1.00 0.00 H new ATOM 0 HA ALA A 62 -29.036 13.971 -21.017 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -31.334 13.783 -20.075 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -31.147 12.789 -21.539 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -31.124 12.021 -19.934 1.00 0.00 H new ATOM 943 N LEU A 63 -28.890 12.431 -18.089 1.00 0.00 N ATOM 944 CA LEU A 63 -28.421 12.469 -16.698 1.00 0.00 C ATOM 945 C LEU A 63 -27.010 13.037 -16.631 1.00 0.00 C ATOM 946 O LEU A 63 -26.813 14.095 -16.047 1.00 0.00 O ATOM 947 CB LEU A 63 -28.426 11.049 -16.079 1.00 0.00 C ATOM 948 CG LEU A 63 -29.664 10.590 -15.287 1.00 0.00 C ATOM 949 CD1 LEU A 63 -30.979 11.259 -15.662 1.00 0.00 C ATOM 950 CD2 LEU A 63 -29.823 9.074 -15.407 1.00 0.00 C ATOM 0 H LEU A 63 -29.298 11.525 -18.318 1.00 0.00 H new ATOM 0 HA LEU A 63 -29.099 13.108 -16.133 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -28.269 10.336 -16.888 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -27.564 10.975 -15.416 1.00 0.00 H new ATOM 0 HG LEU A 63 -29.464 10.900 -14.261 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -31.781 10.859 -15.041 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -30.899 12.334 -15.503 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -31.201 11.063 -16.711 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -30.700 8.755 -14.845 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -29.945 8.803 -16.456 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -28.937 8.582 -15.006 1.00 0.00 H new ATOM 962 N ALA A 64 -26.040 12.373 -17.267 1.00 0.00 N ATOM 963 CA ALA A 64 -24.651 12.817 -17.278 1.00 0.00 C ATOM 964 C ALA A 64 -24.535 14.267 -17.775 1.00 0.00 C ATOM 965 O ALA A 64 -23.883 15.086 -17.122 1.00 0.00 O ATOM 966 CB ALA A 64 -23.824 11.846 -18.129 1.00 0.00 C ATOM 0 H ALA A 64 -26.201 11.511 -17.788 1.00 0.00 H new ATOM 0 HA ALA A 64 -24.257 12.811 -16.262 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -22.783 12.170 -18.143 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -23.886 10.845 -17.703 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -24.213 11.832 -19.147 1.00 0.00 H new ATOM 972 N THR A 65 -25.221 14.594 -18.878 1.00 0.00 N ATOM 973 CA THR A 65 -25.328 15.970 -19.392 1.00 0.00 C ATOM 974 C THR A 65 -25.867 16.956 -18.344 1.00 0.00 C ATOM 975 O THR A 65 -25.095 17.744 -17.791 1.00 0.00 O ATOM 976 CB THR A 65 -26.135 16.029 -20.705 1.00 0.00 C ATOM 977 OG1 THR A 65 -25.629 15.093 -21.633 1.00 0.00 O ATOM 978 CG2 THR A 65 -26.034 17.403 -21.369 1.00 0.00 C ATOM 0 H THR A 65 -25.721 13.909 -19.444 1.00 0.00 H new ATOM 0 HA THR A 65 -24.312 16.292 -19.620 1.00 0.00 H new ATOM 0 HB THR A 65 -27.171 15.813 -20.443 1.00 0.00 H new ATOM 0 HG1 THR A 65 -25.947 14.196 -21.399 1.00 0.00 H new ATOM 0 HG21 THR A 65 -26.615 17.405 -22.291 1.00 0.00 H new ATOM 0 HG22 THR A 65 -26.424 18.164 -20.692 1.00 0.00 H new ATOM 0 HG23 THR A 65 -24.991 17.621 -21.598 1.00 0.00 H new ATOM 986 N VAL A 66 -27.176 16.941 -18.052 1.00 0.00 N ATOM 987 CA VAL A 66 -27.815 17.890 -17.122 1.00 0.00 C ATOM 988 C VAL A 66 -27.175 17.914 -15.731 1.00 0.00 C ATOM 989 O VAL A 66 -27.005 18.985 -15.155 1.00 0.00 O ATOM 990 CB VAL A 66 -29.352 17.770 -17.049 1.00 0.00 C ATOM 991 CG1 VAL A 66 -29.978 18.149 -18.395 1.00 0.00 C ATOM 992 CG2 VAL A 66 -29.920 16.408 -16.635 1.00 0.00 C ATOM 0 H VAL A 66 -27.827 16.267 -18.456 1.00 0.00 H new ATOM 0 HA VAL A 66 -27.616 18.863 -17.570 1.00 0.00 H new ATOM 0 HB VAL A 66 -29.617 18.459 -16.247 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -31.062 18.060 -18.330 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -29.712 19.177 -18.643 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -29.605 17.480 -19.171 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -31.009 16.456 -16.622 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -29.599 15.648 -17.347 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -29.557 16.149 -15.640 1.00 0.00 H new ATOM 1002 N PHE A 67 -26.786 16.771 -15.170 1.00 0.00 N ATOM 1003 CA PHE A 67 -26.027 16.707 -13.918 1.00 0.00 C ATOM 1004 C PHE A 67 -24.675 17.428 -13.972 1.00 0.00 C ATOM 1005 O PHE A 67 -24.355 18.143 -13.025 1.00 0.00 O ATOM 1006 CB PHE A 67 -25.945 15.278 -13.369 1.00 0.00 C ATOM 1007 CG PHE A 67 -27.277 14.562 -13.115 1.00 0.00 C ATOM 1008 CD1 PHE A 67 -28.524 15.197 -13.309 1.00 0.00 C ATOM 1009 CD2 PHE A 67 -27.267 13.213 -12.711 1.00 0.00 C ATOM 1010 CE1 PHE A 67 -29.722 14.484 -13.184 1.00 0.00 C ATOM 1011 CE2 PHE A 67 -28.476 12.510 -12.526 1.00 0.00 C ATOM 1012 CZ PHE A 67 -29.709 13.136 -12.790 1.00 0.00 C ATOM 0 H PHE A 67 -26.989 15.856 -15.572 1.00 0.00 H new ATOM 0 HA PHE A 67 -26.600 17.281 -13.189 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -25.363 14.677 -14.068 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -25.388 15.304 -12.432 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -28.553 16.248 -13.557 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -26.325 12.712 -12.541 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -30.662 14.973 -13.392 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -28.456 11.487 -12.180 1.00 0.00 H new ATOM 0 HZ PHE A 67 -30.633 12.586 -12.691 1.00 0.00 H new ATOM 1022 N ASN A 68 -23.874 17.284 -15.039 1.00 0.00 N ATOM 1023 CA ASN A 68 -22.746 18.193 -15.320 1.00 0.00 C ATOM 1024 C ASN A 68 -23.151 19.681 -15.407 1.00 0.00 C ATOM 1025 O ASN A 68 -22.377 20.542 -14.988 1.00 0.00 O ATOM 1026 CB ASN A 68 -21.974 17.706 -16.567 1.00 0.00 C ATOM 1027 CG ASN A 68 -20.514 18.146 -16.650 1.00 0.00 C ATOM 1028 OD1 ASN A 68 -19.644 17.381 -17.041 1.00 0.00 O ATOM 1029 ND2 ASN A 68 -20.168 19.366 -16.302 1.00 0.00 N ATOM 0 H ASN A 68 -23.986 16.541 -15.728 1.00 0.00 H new ATOM 0 HA ASN A 68 -22.074 18.152 -14.463 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -22.009 16.617 -16.592 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -22.494 18.062 -17.456 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -19.192 19.656 -16.361 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -20.876 20.022 -15.973 1.00 0.00 H new ATOM 1036 N LEU A 69 -24.339 20.008 -15.933 1.00 0.00 N ATOM 1037 CA LEU A 69 -24.880 21.385 -15.866 1.00 0.00 C ATOM 1038 C LEU A 69 -25.326 21.798 -14.448 1.00 0.00 C ATOM 1039 O LEU A 69 -25.449 22.990 -14.159 1.00 0.00 O ATOM 1040 CB LEU A 69 -26.065 21.583 -16.825 1.00 0.00 C ATOM 1041 CG LEU A 69 -25.882 21.015 -18.235 1.00 0.00 C ATOM 1042 CD1 LEU A 69 -27.066 21.434 -19.092 1.00 0.00 C ATOM 1043 CD2 LEU A 69 -24.613 21.514 -18.932 1.00 0.00 C ATOM 0 H LEU A 69 -24.948 19.343 -16.410 1.00 0.00 H new ATOM 0 HA LEU A 69 -24.049 22.023 -16.165 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -26.948 21.124 -16.381 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -26.267 22.651 -16.907 1.00 0.00 H new ATOM 0 HG LEU A 69 -25.805 19.933 -18.126 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -26.946 21.035 -20.099 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -27.986 21.046 -18.655 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -27.116 22.522 -19.137 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -24.546 21.072 -19.926 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -24.649 22.600 -19.019 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -23.739 21.226 -18.347 1.00 0.00 H new