USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 516 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 104 LYS NZ :NH3+ -121:sc=-0.00137 (180deg=-0.0509) USER MOD Set 1.2: A 106 ASN : amide:sc= -0.0258 X(o=-0.027,f=0.17!) USER MOD Set 2.1: A 41 THR OG1 : rot -53:sc= 0.177 USER MOD Set 2.2: A 79 THR OG1 : rot 180:sc= 0.169 USER MOD Set 3.1: A 43 TYR OH : rot -22:sc= -1.47! USER MOD Set 3.2: A 75 CYS SG : rot 146:sc= -3.3 USER MOD Single : A 40 ASN : amide:sc= -6.01! C(o=-6!,f=-5.6!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -163:sc= -2.15 (180deg=-4.03) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.309 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.122 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc=-0.00707 K(o=-0.0071,f=-1.7!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl -126:sc= -0.0708 (180deg=-0.948) USER MOD Single : A 74 ASN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 80 TYR OH : rot -30:sc= -5.48! USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= -0.428 USER MOD Single : A 88 GLN : amide:sc= -0.0591 X(o=-0.059,f=-0.11) USER MOD Single : A 94 ASN : amide:sc= -1.6! C(o=-1.6!,f=-9.1!) USER MOD Single : A 96 THR OG1 : rot -99:sc= 0.845 USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 78 N ASN A 40 -38.974 2.901 2.134 1.00 0.00 N ATOM 79 CA ASN A 40 -37.821 3.824 1.938 1.00 0.00 C ATOM 80 C ASN A 40 -37.559 4.002 0.441 1.00 0.00 C ATOM 81 O ASN A 40 -36.778 3.284 -0.152 1.00 0.00 O ATOM 82 CB ASN A 40 -36.576 3.238 2.606 1.00 0.00 C ATOM 83 CG ASN A 40 -35.498 4.320 2.708 1.00 0.00 C ATOM 84 OD1 ASN A 40 -35.659 5.405 2.188 1.00 0.00 O ATOM 85 ND2 ASN A 40 -34.397 4.066 3.360 1.00 0.00 N ATOM 0 HA ASN A 40 -38.051 4.791 2.385 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -36.825 2.862 3.598 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -36.204 2.392 2.029 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -33.671 4.779 3.433 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -34.262 3.154 3.797 1.00 0.00 H new ATOM 92 N THR A 41 -38.205 4.953 -0.174 1.00 0.00 N ATOM 93 CA THR A 41 -37.995 5.176 -1.632 1.00 0.00 C ATOM 94 C THR A 41 -36.634 5.840 -1.857 1.00 0.00 C ATOM 95 O THR A 41 -36.283 6.799 -1.200 1.00 0.00 O ATOM 96 CB THR A 41 -39.101 6.086 -2.172 1.00 0.00 C ATOM 97 OG1 THR A 41 -40.358 5.441 -2.018 1.00 0.00 O ATOM 98 CG2 THR A 41 -38.850 6.375 -3.651 1.00 0.00 C ATOM 0 H THR A 41 -38.870 5.586 0.270 1.00 0.00 H new ATOM 0 HA THR A 41 -38.023 4.219 -2.154 1.00 0.00 H new ATOM 0 HB THR A 41 -39.104 7.025 -1.618 1.00 0.00 H new ATOM 0 HG1 THR A 41 -40.318 4.547 -2.418 1.00 0.00 H new ATOM 0 HG21 THR A 41 -39.638 7.023 -4.034 1.00 0.00 H new ATOM 0 HG22 THR A 41 -37.886 6.870 -3.767 1.00 0.00 H new ATOM 0 HG23 THR A 41 -38.847 5.439 -4.209 1.00 0.00 H new ATOM 106 N LEU A 42 -35.866 5.337 -2.785 1.00 0.00 N ATOM 107 CA LEU A 42 -34.529 5.938 -3.057 1.00 0.00 C ATOM 108 C LEU A 42 -34.519 6.531 -4.466 1.00 0.00 C ATOM 109 O LEU A 42 -35.126 6.002 -5.377 1.00 0.00 O ATOM 110 CB LEU A 42 -33.452 4.857 -2.952 1.00 0.00 C ATOM 111 CG LEU A 42 -33.564 4.150 -1.601 1.00 0.00 C ATOM 112 CD1 LEU A 42 -32.484 3.071 -1.500 1.00 0.00 C ATOM 113 CD2 LEU A 42 -33.374 5.168 -0.474 1.00 0.00 C ATOM 0 H LEU A 42 -36.107 4.535 -3.367 1.00 0.00 H new ATOM 0 HA LEU A 42 -34.327 6.723 -2.328 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -33.566 4.136 -3.762 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -32.463 5.303 -3.059 1.00 0.00 H new ATOM 0 HG LEU A 42 -34.548 3.690 -1.512 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -32.563 2.566 -0.537 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -32.618 2.345 -2.302 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -31.500 3.532 -1.589 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -33.454 4.664 0.489 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -32.390 5.629 -0.562 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -34.143 5.938 -0.545 1.00 0.00 H new ATOM 125 N TYR A 43 -33.833 7.626 -4.657 1.00 0.00 N ATOM 126 CA TYR A 43 -33.787 8.248 -6.010 1.00 0.00 C ATOM 127 C TYR A 43 -32.684 7.585 -6.838 1.00 0.00 C ATOM 128 O TYR A 43 -31.554 7.471 -6.406 1.00 0.00 O ATOM 129 CB TYR A 43 -33.498 9.744 -5.877 1.00 0.00 C ATOM 130 CG TYR A 43 -33.553 10.390 -7.240 1.00 0.00 C ATOM 131 CD1 TYR A 43 -34.784 10.781 -7.779 1.00 0.00 C ATOM 132 CD2 TYR A 43 -32.373 10.597 -7.964 1.00 0.00 C ATOM 133 CE1 TYR A 43 -34.837 11.379 -9.045 1.00 0.00 C ATOM 134 CE2 TYR A 43 -32.426 11.194 -9.230 1.00 0.00 C ATOM 135 CZ TYR A 43 -33.657 11.585 -9.769 1.00 0.00 C ATOM 136 OH TYR A 43 -33.707 12.175 -11.016 1.00 0.00 O ATOM 0 H TYR A 43 -33.304 8.115 -3.935 1.00 0.00 H new ATOM 0 HA TYR A 43 -34.747 8.109 -6.506 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -34.227 10.208 -5.213 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -32.516 9.897 -5.429 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -35.694 10.622 -7.219 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -31.423 10.297 -7.547 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -35.787 11.680 -9.461 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -31.517 11.353 -9.790 1.00 0.00 H new ATOM 0 HH TYR A 43 -34.607 12.073 -11.390 1.00 0.00 H new ATOM 146 N VAL A 44 -33.002 7.149 -8.026 1.00 0.00 N ATOM 147 CA VAL A 44 -31.972 6.494 -8.880 1.00 0.00 C ATOM 148 C VAL A 44 -31.858 7.243 -10.208 1.00 0.00 C ATOM 149 O VAL A 44 -32.846 7.607 -10.813 1.00 0.00 O ATOM 150 CB VAL A 44 -32.381 5.044 -9.145 1.00 0.00 C ATOM 151 CG1 VAL A 44 -31.304 4.354 -9.985 1.00 0.00 C ATOM 152 CG2 VAL A 44 -32.538 4.308 -7.813 1.00 0.00 C ATOM 0 H VAL A 44 -33.931 7.218 -8.442 1.00 0.00 H new ATOM 0 HA VAL A 44 -31.009 6.514 -8.370 1.00 0.00 H new ATOM 0 HB VAL A 44 -33.328 5.027 -9.685 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -31.596 3.321 -10.173 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -31.191 4.878 -10.934 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -30.356 4.371 -9.447 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -32.829 3.275 -8.000 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -31.591 4.326 -7.274 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -33.306 4.799 -7.215 1.00 0.00 H new ATOM 162 N TYR A 45 -30.658 7.477 -10.667 1.00 0.00 N ATOM 163 CA TYR A 45 -30.481 8.203 -11.955 1.00 0.00 C ATOM 164 C TYR A 45 -29.476 7.452 -12.832 1.00 0.00 C ATOM 165 O TYR A 45 -28.469 6.964 -12.357 1.00 0.00 O ATOM 166 CB TYR A 45 -29.961 9.614 -11.678 1.00 0.00 C ATOM 167 CG TYR A 45 -29.851 10.375 -12.977 1.00 0.00 C ATOM 168 CD1 TYR A 45 -30.974 11.025 -13.503 1.00 0.00 C ATOM 169 CD2 TYR A 45 -28.629 10.428 -13.656 1.00 0.00 C ATOM 170 CE1 TYR A 45 -30.873 11.729 -14.709 1.00 0.00 C ATOM 171 CE2 TYR A 45 -28.528 11.132 -14.861 1.00 0.00 C ATOM 172 CZ TYR A 45 -29.650 11.783 -15.388 1.00 0.00 C ATOM 173 OH TYR A 45 -29.551 12.478 -16.576 1.00 0.00 O ATOM 0 H TYR A 45 -29.793 7.196 -10.205 1.00 0.00 H new ATOM 0 HA TYR A 45 -31.439 8.263 -12.471 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -30.634 10.134 -10.996 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -28.988 9.565 -11.190 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -31.917 10.983 -12.979 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -27.763 9.925 -13.250 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -31.739 12.230 -15.116 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -27.584 11.173 -15.385 1.00 0.00 H new ATOM 0 HH TYR A 45 -28.634 12.416 -16.916 1.00 0.00 H new ATOM 183 N GLY A 46 -29.740 7.355 -14.106 1.00 0.00 N ATOM 184 CA GLY A 46 -28.797 6.634 -15.008 1.00 0.00 C ATOM 185 C GLY A 46 -29.311 6.704 -16.448 1.00 0.00 C ATOM 186 O GLY A 46 -30.435 7.088 -16.697 1.00 0.00 O ATOM 0 H GLY A 46 -30.566 7.743 -14.561 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -27.804 7.079 -14.943 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -28.702 5.594 -14.695 1.00 0.00 H new ATOM 190 N GLU A 47 -28.493 6.336 -17.396 1.00 0.00 N ATOM 191 CA GLU A 47 -28.933 6.380 -18.819 1.00 0.00 C ATOM 192 C GLU A 47 -29.413 4.991 -19.248 1.00 0.00 C ATOM 193 O GLU A 47 -28.911 3.984 -18.790 1.00 0.00 O ATOM 194 CB GLU A 47 -27.758 6.810 -19.702 1.00 0.00 C ATOM 195 CG GLU A 47 -26.722 5.686 -19.755 1.00 0.00 C ATOM 196 CD GLU A 47 -25.527 6.132 -20.601 1.00 0.00 C ATOM 197 OE1 GLU A 47 -25.535 7.266 -21.051 1.00 0.00 O ATOM 198 OE2 GLU A 47 -24.625 5.332 -20.783 1.00 0.00 O ATOM 0 H GLU A 47 -27.539 6.007 -17.246 1.00 0.00 H new ATOM 0 HA GLU A 47 -29.749 7.095 -18.926 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -28.110 7.042 -20.707 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -27.305 7.719 -19.306 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -26.393 5.432 -18.747 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -27.167 4.787 -20.181 1.00 0.00 H new ATOM 205 N ASP A 48 -30.382 4.930 -20.123 1.00 0.00 N ATOM 206 CA ASP A 48 -30.895 3.607 -20.577 1.00 0.00 C ATOM 207 C ASP A 48 -31.038 2.676 -19.371 1.00 0.00 C ATOM 208 O ASP A 48 -30.384 1.657 -19.280 1.00 0.00 O ATOM 209 CB ASP A 48 -29.915 2.994 -21.581 1.00 0.00 C ATOM 210 CG ASP A 48 -29.816 3.896 -22.813 1.00 0.00 C ATOM 211 OD1 ASP A 48 -30.697 4.720 -22.993 1.00 0.00 O ATOM 212 OD2 ASP A 48 -28.860 3.745 -23.557 1.00 0.00 O ATOM 0 H ASP A 48 -30.839 5.740 -20.542 1.00 0.00 H new ATOM 0 HA ASP A 48 -31.866 3.739 -21.054 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -28.933 2.878 -21.122 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -30.251 1.999 -21.872 1.00 0.00 H new ATOM 217 N MET A 49 -31.883 3.025 -18.441 1.00 0.00 N ATOM 218 CA MET A 49 -32.063 2.165 -17.237 1.00 0.00 C ATOM 219 C MET A 49 -33.358 1.360 -17.366 1.00 0.00 C ATOM 220 O MET A 49 -34.359 1.847 -17.853 1.00 0.00 O ATOM 221 CB MET A 49 -32.135 3.045 -15.989 1.00 0.00 C ATOM 222 CG MET A 49 -30.725 3.485 -15.592 1.00 0.00 C ATOM 223 SD MET A 49 -30.750 4.140 -13.904 1.00 0.00 S ATOM 224 CE MET A 49 -31.954 5.459 -14.190 1.00 0.00 C ATOM 0 H MET A 49 -32.457 3.868 -18.462 1.00 0.00 H new ATOM 0 HA MET A 49 -31.219 1.480 -17.154 1.00 0.00 H new ATOM 0 HB2 MET A 49 -32.759 3.918 -16.182 1.00 0.00 H new ATOM 0 HB3 MET A 49 -32.600 2.496 -15.170 1.00 0.00 H new ATOM 0 HG2 MET A 49 -30.038 2.641 -15.656 1.00 0.00 H new ATOM 0 HG3 MET A 49 -30.362 4.245 -16.283 1.00 0.00 H new ATOM 0 HE1 MET A 49 -31.904 6.181 -13.375 1.00 0.00 H new ATOM 0 HE2 MET A 49 -31.729 5.959 -15.132 1.00 0.00 H new ATOM 0 HE3 MET A 49 -32.956 5.033 -14.236 1.00 0.00 H new ATOM 234 N THR A 50 -33.346 0.131 -16.928 1.00 0.00 N ATOM 235 CA THR A 50 -34.574 -0.707 -17.019 1.00 0.00 C ATOM 236 C THR A 50 -34.962 -1.182 -15.616 1.00 0.00 C ATOM 237 O THR A 50 -34.165 -1.148 -14.699 1.00 0.00 O ATOM 238 CB THR A 50 -34.300 -1.919 -17.912 1.00 0.00 C ATOM 239 OG1 THR A 50 -33.064 -2.512 -17.538 1.00 0.00 O ATOM 240 CG2 THR A 50 -34.233 -1.472 -19.373 1.00 0.00 C ATOM 0 H THR A 50 -32.537 -0.329 -16.510 1.00 0.00 H new ATOM 0 HA THR A 50 -35.388 -0.121 -17.446 1.00 0.00 H new ATOM 0 HB THR A 50 -35.102 -2.647 -17.793 1.00 0.00 H new ATOM 0 HG1 THR A 50 -32.888 -3.289 -18.108 1.00 0.00 H new ATOM 0 HG21 THR A 50 -34.038 -2.335 -20.009 1.00 0.00 H new ATOM 0 HG22 THR A 50 -35.182 -1.018 -19.659 1.00 0.00 H new ATOM 0 HG23 THR A 50 -33.431 -0.743 -19.494 1.00 0.00 H new ATOM 248 N PRO A 51 -36.214 -1.631 -15.449 1.00 0.00 N ATOM 249 CA PRO A 51 -36.718 -2.113 -14.156 1.00 0.00 C ATOM 250 C PRO A 51 -36.058 -3.433 -13.744 1.00 0.00 C ATOM 251 O PRO A 51 -35.544 -3.565 -12.652 1.00 0.00 O ATOM 252 CB PRO A 51 -38.209 -2.328 -14.410 1.00 0.00 C ATOM 253 CG PRO A 51 -38.310 -2.554 -15.879 1.00 0.00 C ATOM 254 CD PRO A 51 -37.240 -1.705 -16.505 1.00 0.00 C ATOM 0 HA PRO A 51 -36.508 -1.412 -13.348 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -38.587 -3.183 -13.850 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -38.793 -1.461 -14.101 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -38.165 -3.606 -16.122 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -39.296 -2.274 -16.250 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -36.849 -2.156 -17.417 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -37.614 -0.717 -16.774 1.00 0.00 H new ATOM 262 N THR A 52 -36.071 -4.412 -14.607 1.00 0.00 N ATOM 263 CA THR A 52 -35.444 -5.717 -14.258 1.00 0.00 C ATOM 264 C THR A 52 -33.984 -5.492 -13.864 1.00 0.00 C ATOM 265 O THR A 52 -33.477 -6.103 -12.945 1.00 0.00 O ATOM 266 CB THR A 52 -35.510 -6.660 -15.463 1.00 0.00 C ATOM 267 OG1 THR A 52 -36.390 -6.117 -16.439 1.00 0.00 O ATOM 268 CG2 THR A 52 -36.023 -8.028 -15.014 1.00 0.00 C ATOM 0 H THR A 52 -36.488 -4.364 -15.537 1.00 0.00 H new ATOM 0 HA THR A 52 -35.982 -6.164 -13.422 1.00 0.00 H new ATOM 0 HB THR A 52 -34.515 -6.772 -15.893 1.00 0.00 H new ATOM 0 HG1 THR A 52 -36.432 -6.718 -17.212 1.00 0.00 H new ATOM 0 HG21 THR A 52 -36.070 -8.699 -15.872 1.00 0.00 H new ATOM 0 HG22 THR A 52 -35.347 -8.442 -14.266 1.00 0.00 H new ATOM 0 HG23 THR A 52 -37.018 -7.920 -14.583 1.00 0.00 H new ATOM 276 N LEU A 53 -33.308 -4.615 -14.550 1.00 0.00 N ATOM 277 CA LEU A 53 -31.881 -4.346 -14.212 1.00 0.00 C ATOM 278 C LEU A 53 -31.803 -3.737 -12.813 1.00 0.00 C ATOM 279 O LEU A 53 -30.991 -4.130 -11.997 1.00 0.00 O ATOM 280 CB LEU A 53 -31.289 -3.368 -15.230 1.00 0.00 C ATOM 281 CG LEU A 53 -29.788 -3.214 -14.977 1.00 0.00 C ATOM 282 CD1 LEU A 53 -29.073 -4.520 -15.330 1.00 0.00 C ATOM 283 CD2 LEU A 53 -29.238 -2.082 -15.847 1.00 0.00 C ATOM 0 H LEU A 53 -33.680 -4.073 -15.330 1.00 0.00 H new ATOM 0 HA LEU A 53 -31.316 -5.278 -14.238 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -31.462 -3.732 -16.243 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -31.783 -2.400 -15.150 1.00 0.00 H new ATOM 0 HG LEU A 53 -29.620 -2.980 -13.926 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -28.004 -4.410 -15.150 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -29.464 -5.328 -14.711 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -29.241 -4.754 -16.381 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -28.169 -1.972 -15.667 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -29.407 -2.316 -16.898 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -29.746 -1.151 -15.596 1.00 0.00 H new ATOM 295 N LEU A 54 -32.644 -2.782 -12.525 1.00 0.00 N ATOM 296 CA LEU A 54 -32.622 -2.152 -11.175 1.00 0.00 C ATOM 297 C LEU A 54 -33.022 -3.193 -10.128 1.00 0.00 C ATOM 298 O LEU A 54 -32.369 -3.351 -9.116 1.00 0.00 O ATOM 299 CB LEU A 54 -33.609 -0.983 -11.140 1.00 0.00 C ATOM 300 CG LEU A 54 -33.122 0.122 -12.079 1.00 0.00 C ATOM 301 CD1 LEU A 54 -34.326 0.816 -12.719 1.00 0.00 C ATOM 302 CD2 LEU A 54 -32.308 1.145 -11.284 1.00 0.00 C ATOM 0 H LEU A 54 -33.345 -2.411 -13.166 1.00 0.00 H new ATOM 0 HA LEU A 54 -31.620 -1.783 -10.959 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -34.600 -1.321 -11.442 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -33.699 -0.599 -10.124 1.00 0.00 H new ATOM 0 HG LEU A 54 -32.497 -0.314 -12.859 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -33.979 1.603 -13.388 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -34.907 0.088 -13.286 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -34.951 1.252 -11.940 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -31.961 1.933 -11.953 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -32.933 1.580 -10.504 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -31.450 0.652 -10.828 1.00 0.00 H new ATOM 314 N ARG A 55 -34.087 -3.910 -10.365 1.00 0.00 N ATOM 315 CA ARG A 55 -34.520 -4.944 -9.383 1.00 0.00 C ATOM 316 C ARG A 55 -33.320 -5.817 -9.013 1.00 0.00 C ATOM 317 O ARG A 55 -33.169 -6.235 -7.882 1.00 0.00 O ATOM 318 CB ARG A 55 -35.614 -5.817 -10.002 1.00 0.00 C ATOM 319 CG ARG A 55 -36.067 -6.862 -8.980 1.00 0.00 C ATOM 320 CD ARG A 55 -37.029 -7.848 -9.646 1.00 0.00 C ATOM 321 NE ARG A 55 -37.630 -8.732 -8.608 1.00 0.00 N ATOM 322 CZ ARG A 55 -37.169 -9.942 -8.435 1.00 0.00 C ATOM 323 NH1 ARG A 55 -35.966 -10.246 -8.838 1.00 0.00 N ATOM 324 NH2 ARG A 55 -37.912 -10.846 -7.856 1.00 0.00 N ATOM 0 H ARG A 55 -34.675 -3.825 -11.194 1.00 0.00 H new ATOM 0 HA ARG A 55 -34.912 -4.457 -8.490 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -36.459 -5.199 -10.307 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -35.239 -6.308 -10.900 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -35.203 -7.394 -8.582 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -36.557 -6.373 -8.138 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -37.813 -7.307 -10.176 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -36.498 -8.447 -10.386 1.00 0.00 H new ATOM 0 HE ARG A 55 -38.401 -8.393 -8.033 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -35.385 -9.539 -9.288 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -35.606 -11.191 -8.703 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -38.852 -10.607 -7.539 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -37.553 -11.791 -7.721 1.00 0.00 H new ATOM 338 N GLY A 56 -32.463 -6.093 -9.957 1.00 0.00 N ATOM 339 CA GLY A 56 -31.271 -6.936 -9.658 1.00 0.00 C ATOM 340 C GLY A 56 -30.257 -6.110 -8.866 1.00 0.00 C ATOM 341 O GLY A 56 -29.543 -6.624 -8.028 1.00 0.00 O ATOM 0 H GLY A 56 -32.536 -5.771 -10.922 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -31.567 -7.816 -9.087 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -30.822 -7.294 -10.585 1.00 0.00 H new ATOM 345 N ALA A 57 -30.191 -4.833 -9.123 1.00 0.00 N ATOM 346 CA ALA A 57 -29.227 -3.971 -8.385 1.00 0.00 C ATOM 347 C ALA A 57 -29.804 -3.625 -7.012 1.00 0.00 C ATOM 348 O ALA A 57 -29.116 -3.121 -6.148 1.00 0.00 O ATOM 349 CB ALA A 57 -28.985 -2.683 -9.176 1.00 0.00 C ATOM 0 H ALA A 57 -30.764 -4.349 -9.814 1.00 0.00 H new ATOM 0 HA ALA A 57 -28.284 -4.503 -8.260 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -28.279 -2.052 -8.636 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -28.576 -2.929 -10.156 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -29.928 -2.150 -9.300 1.00 0.00 H new ATOM 355 N PHE A 58 -31.065 -3.893 -6.806 1.00 0.00 N ATOM 356 CA PHE A 58 -31.692 -3.581 -5.489 1.00 0.00 C ATOM 357 C PHE A 58 -32.331 -4.850 -4.914 1.00 0.00 C ATOM 358 O PHE A 58 -32.872 -4.845 -3.827 1.00 0.00 O ATOM 359 CB PHE A 58 -32.773 -2.515 -5.681 1.00 0.00 C ATOM 360 CG PHE A 58 -32.127 -1.181 -5.975 1.00 0.00 C ATOM 361 CD1 PHE A 58 -31.749 -0.860 -7.284 1.00 0.00 C ATOM 362 CD2 PHE A 58 -31.911 -0.264 -4.939 1.00 0.00 C ATOM 363 CE1 PHE A 58 -31.153 0.377 -7.558 1.00 0.00 C ATOM 364 CE2 PHE A 58 -31.317 0.974 -5.212 1.00 0.00 C ATOM 365 CZ PHE A 58 -30.937 1.294 -6.522 1.00 0.00 C ATOM 0 H PHE A 58 -31.689 -4.315 -7.494 1.00 0.00 H new ATOM 0 HA PHE A 58 -30.930 -3.212 -4.803 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -33.435 -2.798 -6.500 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -33.389 -2.442 -4.784 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -31.917 -1.567 -8.083 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -32.203 -0.512 -3.929 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -30.860 0.624 -8.568 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -31.152 1.682 -4.413 1.00 0.00 H new ATOM 0 HZ PHE A 58 -30.477 2.248 -6.733 1.00 0.00 H new ATOM 375 N SER A 59 -32.275 -5.934 -5.638 1.00 0.00 N ATOM 376 CA SER A 59 -32.882 -7.201 -5.141 1.00 0.00 C ATOM 377 C SER A 59 -32.059 -7.764 -3.975 1.00 0.00 C ATOM 378 O SER A 59 -32.591 -8.055 -2.922 1.00 0.00 O ATOM 379 CB SER A 59 -32.921 -8.227 -6.275 1.00 0.00 C ATOM 380 OG SER A 59 -32.740 -9.530 -5.741 1.00 0.00 O ATOM 0 H SER A 59 -31.834 -5.997 -6.555 1.00 0.00 H new ATOM 0 HA SER A 59 -33.894 -6.994 -4.794 1.00 0.00 H new ATOM 0 HB2 SER A 59 -33.874 -8.167 -6.801 1.00 0.00 H new ATOM 0 HB3 SER A 59 -32.140 -8.009 -7.004 1.00 0.00 H new ATOM 0 HG SER A 59 -32.767 -10.188 -6.467 1.00 0.00 H new ATOM 386 N PRO A 60 -30.739 -7.930 -4.168 1.00 0.00 N ATOM 387 CA PRO A 60 -29.854 -8.474 -3.127 1.00 0.00 C ATOM 388 C PRO A 60 -29.694 -7.516 -1.942 1.00 0.00 C ATOM 389 O PRO A 60 -29.453 -7.934 -0.826 1.00 0.00 O ATOM 390 CB PRO A 60 -28.516 -8.648 -3.848 1.00 0.00 C ATOM 391 CG PRO A 60 -28.566 -7.669 -4.970 1.00 0.00 C ATOM 392 CD PRO A 60 -30.002 -7.607 -5.405 1.00 0.00 C ATOM 0 HA PRO A 60 -30.249 -9.397 -2.702 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -27.677 -8.446 -3.182 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -28.393 -9.667 -4.215 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -28.214 -6.689 -4.648 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -27.923 -7.985 -5.792 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -30.266 -6.620 -5.786 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -30.214 -8.323 -6.199 1.00 0.00 H new ATOM 400 N PHE A 61 -29.827 -6.238 -2.166 1.00 0.00 N ATOM 401 CA PHE A 61 -29.681 -5.269 -1.043 1.00 0.00 C ATOM 402 C PHE A 61 -30.905 -5.361 -0.128 1.00 0.00 C ATOM 403 O PHE A 61 -30.880 -4.922 1.005 1.00 0.00 O ATOM 404 CB PHE A 61 -29.566 -3.848 -1.598 1.00 0.00 C ATOM 405 CG PHE A 61 -28.172 -3.633 -2.140 1.00 0.00 C ATOM 406 CD1 PHE A 61 -27.102 -3.431 -1.260 1.00 0.00 C ATOM 407 CD2 PHE A 61 -27.951 -3.635 -3.521 1.00 0.00 C ATOM 408 CE1 PHE A 61 -25.811 -3.231 -1.763 1.00 0.00 C ATOM 409 CE2 PHE A 61 -26.660 -3.435 -4.025 1.00 0.00 C ATOM 410 CZ PHE A 61 -25.590 -3.233 -3.146 1.00 0.00 C ATOM 0 H PHE A 61 -30.030 -5.823 -3.075 1.00 0.00 H new ATOM 0 HA PHE A 61 -28.781 -5.508 -0.476 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -30.303 -3.693 -2.386 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -29.780 -3.121 -0.814 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -27.273 -3.429 -0.194 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -28.777 -3.791 -4.199 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -24.985 -3.075 -1.085 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -26.490 -3.437 -5.092 1.00 0.00 H new ATOM 0 HZ PHE A 61 -24.594 -3.079 -3.534 1.00 0.00 H new ATOM 420 N GLY A 62 -31.976 -5.928 -0.611 1.00 0.00 N ATOM 421 CA GLY A 62 -33.200 -6.048 0.231 1.00 0.00 C ATOM 422 C GLY A 62 -34.409 -6.326 -0.664 1.00 0.00 C ATOM 423 O GLY A 62 -34.284 -6.484 -1.862 1.00 0.00 O ATOM 0 H GLY A 62 -32.057 -6.313 -1.552 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -33.078 -6.853 0.956 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -33.357 -5.130 0.797 1.00 0.00 H new ATOM 427 N ASN A 63 -35.582 -6.389 -0.092 1.00 0.00 N ATOM 428 CA ASN A 63 -36.796 -6.657 -0.913 1.00 0.00 C ATOM 429 C ASN A 63 -37.510 -5.337 -1.214 1.00 0.00 C ATOM 430 O ASN A 63 -37.740 -4.530 -0.335 1.00 0.00 O ATOM 431 CB ASN A 63 -37.738 -7.585 -0.143 1.00 0.00 C ATOM 432 CG ASN A 63 -37.056 -8.938 0.067 1.00 0.00 C ATOM 433 OD1 ASN A 63 -36.049 -9.226 -0.547 1.00 0.00 O ATOM 434 ND2 ASN A 63 -37.566 -9.787 0.917 1.00 0.00 N ATOM 0 H ASN A 63 -35.751 -6.267 0.906 1.00 0.00 H new ATOM 0 HA ASN A 63 -36.504 -7.133 -1.849 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -37.997 -7.142 0.819 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -38.669 -7.716 -0.695 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -37.119 -10.692 1.065 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -38.412 -9.546 1.433 1.00 0.00 H new ATOM 441 N ILE A 64 -37.860 -5.109 -2.450 1.00 0.00 N ATOM 442 CA ILE A 64 -38.555 -3.841 -2.808 1.00 0.00 C ATOM 443 C ILE A 64 -40.068 -4.064 -2.805 1.00 0.00 C ATOM 444 O ILE A 64 -40.574 -4.971 -3.437 1.00 0.00 O ATOM 445 CB ILE A 64 -38.110 -3.391 -4.201 1.00 0.00 C ATOM 446 CG1 ILE A 64 -36.586 -3.248 -4.226 1.00 0.00 C ATOM 447 CG2 ILE A 64 -38.755 -2.044 -4.532 1.00 0.00 C ATOM 448 CD1 ILE A 64 -36.100 -3.231 -5.676 1.00 0.00 C ATOM 0 H ILE A 64 -37.694 -5.747 -3.228 1.00 0.00 H new ATOM 0 HA ILE A 64 -38.301 -3.073 -2.078 1.00 0.00 H new ATOM 0 HB ILE A 64 -38.418 -4.131 -4.939 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -36.288 -2.330 -3.720 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -36.123 -4.074 -3.686 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -38.438 -1.723 -5.524 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -39.840 -2.146 -4.513 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -38.447 -1.302 -3.795 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -35.015 -3.129 -5.695 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -36.386 -4.162 -6.166 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -36.552 -2.390 -6.202 1.00 0.00 H new ATOM 460 N ILE A 65 -40.797 -3.240 -2.102 1.00 0.00 N ATOM 461 CA ILE A 65 -42.277 -3.402 -2.061 1.00 0.00 C ATOM 462 C ILE A 65 -42.889 -2.772 -3.312 1.00 0.00 C ATOM 463 O ILE A 65 -43.932 -3.184 -3.782 1.00 0.00 O ATOM 464 CB ILE A 65 -42.832 -2.705 -0.817 1.00 0.00 C ATOM 465 CG1 ILE A 65 -42.713 -1.189 -0.984 1.00 0.00 C ATOM 466 CG2 ILE A 65 -42.035 -3.146 0.412 1.00 0.00 C ATOM 467 CD1 ILE A 65 -43.439 -0.490 0.167 1.00 0.00 C ATOM 0 H ILE A 65 -40.431 -2.461 -1.554 1.00 0.00 H new ATOM 0 HA ILE A 65 -42.527 -4.462 -2.025 1.00 0.00 H new ATOM 0 HB ILE A 65 -43.880 -2.974 -0.688 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -41.663 -0.895 -0.998 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -43.142 -0.883 -1.938 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -42.430 -2.650 1.299 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -42.120 -4.226 0.532 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -40.987 -2.877 0.282 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -43.354 0.590 0.048 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -44.491 -0.774 0.160 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -42.990 -0.787 1.115 1.00 0.00 H new ATOM 479 N ASP A 66 -42.248 -1.775 -3.856 1.00 0.00 N ATOM 480 CA ASP A 66 -42.789 -1.117 -5.078 1.00 0.00 C ATOM 481 C ASP A 66 -41.628 -0.616 -5.940 1.00 0.00 C ATOM 482 O ASP A 66 -40.587 -0.240 -5.440 1.00 0.00 O ATOM 483 CB ASP A 66 -43.669 0.067 -4.674 1.00 0.00 C ATOM 484 CG ASP A 66 -44.344 0.651 -5.918 1.00 0.00 C ATOM 485 OD1 ASP A 66 -44.184 0.070 -6.980 1.00 0.00 O ATOM 486 OD2 ASP A 66 -45.008 1.665 -5.788 1.00 0.00 O ATOM 0 H ASP A 66 -41.372 -1.387 -3.507 1.00 0.00 H new ATOM 0 HA ASP A 66 -43.383 -1.834 -5.645 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -44.423 -0.255 -3.956 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -43.066 0.830 -4.182 1.00 0.00 H new ATOM 491 N LEU A 67 -41.798 -0.609 -7.234 1.00 0.00 N ATOM 492 CA LEU A 67 -40.705 -0.133 -8.127 1.00 0.00 C ATOM 493 C LEU A 67 -41.270 0.878 -9.128 1.00 0.00 C ATOM 494 O LEU A 67 -42.166 0.576 -9.891 1.00 0.00 O ATOM 495 CB LEU A 67 -40.111 -1.324 -8.884 1.00 0.00 C ATOM 496 CG LEU A 67 -39.070 -0.825 -9.889 1.00 0.00 C ATOM 497 CD1 LEU A 67 -37.734 -0.608 -9.176 1.00 0.00 C ATOM 498 CD2 LEU A 67 -38.893 -1.865 -10.997 1.00 0.00 C ATOM 0 H LEU A 67 -42.647 -0.913 -7.711 1.00 0.00 H new ATOM 0 HA LEU A 67 -39.927 0.343 -7.530 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -39.650 -2.020 -8.183 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -40.900 -1.869 -9.402 1.00 0.00 H new ATOM 0 HG LEU A 67 -39.407 0.116 -10.323 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -36.993 -0.253 -9.892 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -37.859 0.132 -8.386 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -37.397 -1.549 -8.741 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -38.152 -1.511 -11.713 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -38.557 -2.806 -10.562 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -39.844 -2.020 -11.506 1.00 0.00 H new ATOM 510 N SER A 68 -40.758 2.078 -9.127 1.00 0.00 N ATOM 511 CA SER A 68 -41.270 3.106 -10.077 1.00 0.00 C ATOM 512 C SER A 68 -40.126 3.606 -10.961 1.00 0.00 C ATOM 513 O SER A 68 -38.966 3.473 -10.627 1.00 0.00 O ATOM 514 CB SER A 68 -41.856 4.280 -9.289 1.00 0.00 C ATOM 515 OG SER A 68 -42.560 5.139 -10.173 1.00 0.00 O ATOM 0 H SER A 68 -40.008 2.391 -8.510 1.00 0.00 H new ATOM 0 HA SER A 68 -42.044 2.664 -10.705 1.00 0.00 H new ATOM 0 HB2 SER A 68 -42.526 3.912 -8.512 1.00 0.00 H new ATOM 0 HB3 SER A 68 -41.059 4.830 -8.788 1.00 0.00 H new ATOM 0 HG SER A 68 -42.937 5.890 -9.669 1.00 0.00 H new ATOM 521 N MET A 69 -40.446 4.181 -12.088 1.00 0.00 N ATOM 522 CA MET A 69 -39.379 4.692 -12.996 1.00 0.00 C ATOM 523 C MET A 69 -39.790 6.063 -13.540 1.00 0.00 C ATOM 524 O MET A 69 -40.957 6.338 -13.736 1.00 0.00 O ATOM 525 CB MET A 69 -39.192 3.718 -14.161 1.00 0.00 C ATOM 526 CG MET A 69 -38.577 2.415 -13.644 1.00 0.00 C ATOM 527 SD MET A 69 -38.146 1.355 -15.046 1.00 0.00 S ATOM 528 CE MET A 69 -36.626 2.214 -15.520 1.00 0.00 C ATOM 0 H MET A 69 -41.401 4.319 -12.420 1.00 0.00 H new ATOM 0 HA MET A 69 -38.443 4.783 -12.444 1.00 0.00 H new ATOM 0 HB2 MET A 69 -40.151 3.516 -14.637 1.00 0.00 H new ATOM 0 HB3 MET A 69 -38.547 4.161 -14.919 1.00 0.00 H new ATOM 0 HG2 MET A 69 -37.689 2.630 -13.050 1.00 0.00 H new ATOM 0 HG3 MET A 69 -39.282 1.902 -12.989 1.00 0.00 H new ATOM 0 HE1 MET A 69 -36.676 2.487 -16.574 1.00 0.00 H new ATOM 0 HE2 MET A 69 -36.514 3.115 -14.917 1.00 0.00 H new ATOM 0 HE3 MET A 69 -35.771 1.558 -15.355 1.00 0.00 H new ATOM 538 N ASP A 70 -38.842 6.926 -13.784 1.00 0.00 N ATOM 539 CA ASP A 70 -39.184 8.278 -14.313 1.00 0.00 C ATOM 540 C ASP A 70 -38.499 8.486 -15.666 1.00 0.00 C ATOM 541 O ASP A 70 -37.325 8.796 -15.735 1.00 0.00 O ATOM 542 CB ASP A 70 -38.703 9.348 -13.331 1.00 0.00 C ATOM 543 CG ASP A 70 -39.905 10.136 -12.804 1.00 0.00 C ATOM 544 OD1 ASP A 70 -40.679 9.566 -12.053 1.00 0.00 O ATOM 545 OD2 ASP A 70 -40.028 11.297 -13.159 1.00 0.00 O ATOM 0 H ASP A 70 -37.847 6.754 -13.640 1.00 0.00 H new ATOM 0 HA ASP A 70 -40.264 8.356 -14.436 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -38.169 8.883 -12.503 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -38.002 10.021 -13.825 1.00 0.00 H new ATOM 550 N PRO A 71 -39.254 8.315 -16.761 1.00 0.00 N ATOM 551 CA PRO A 71 -38.724 8.484 -18.115 1.00 0.00 C ATOM 552 C PRO A 71 -38.513 9.960 -18.513 1.00 0.00 C ATOM 553 O PRO A 71 -37.658 10.253 -19.326 1.00 0.00 O ATOM 554 CB PRO A 71 -39.787 7.837 -19.002 1.00 0.00 C ATOM 555 CG PRO A 71 -41.056 7.905 -18.218 1.00 0.00 C ATOM 556 CD PRO A 71 -40.678 7.933 -16.758 1.00 0.00 C ATOM 0 HA PRO A 71 -37.735 8.035 -18.208 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -39.882 8.367 -19.950 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -39.526 6.805 -19.238 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -41.626 8.795 -18.485 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -41.689 7.044 -18.435 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -41.282 8.651 -16.204 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -40.829 6.961 -16.289 1.00 0.00 H new ATOM 564 N PRO A 72 -39.287 10.916 -17.949 1.00 0.00 N ATOM 565 CA PRO A 72 -39.129 12.334 -18.294 1.00 0.00 C ATOM 566 C PRO A 72 -37.891 12.946 -17.630 1.00 0.00 C ATOM 567 O PRO A 72 -37.331 13.911 -18.111 1.00 0.00 O ATOM 568 CB PRO A 72 -40.388 12.989 -17.737 1.00 0.00 C ATOM 569 CG PRO A 72 -40.824 12.100 -16.622 1.00 0.00 C ATOM 570 CD PRO A 72 -40.359 10.707 -16.956 1.00 0.00 C ATOM 0 HA PRO A 72 -38.999 12.476 -19.367 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -40.183 13.998 -17.380 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -41.161 13.072 -18.501 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -40.397 12.432 -15.676 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -41.908 12.127 -16.509 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -39.989 10.187 -16.072 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -41.169 10.103 -17.365 1.00 0.00 H new ATOM 578 N ARG A 73 -37.466 12.395 -16.527 1.00 0.00 N ATOM 579 CA ARG A 73 -36.269 12.949 -15.830 1.00 0.00 C ATOM 580 C ARG A 73 -35.107 11.959 -15.932 1.00 0.00 C ATOM 581 O ARG A 73 -34.024 12.208 -15.440 1.00 0.00 O ATOM 582 CB ARG A 73 -36.603 13.193 -14.358 1.00 0.00 C ATOM 583 CG ARG A 73 -37.715 14.237 -14.252 1.00 0.00 C ATOM 584 CD ARG A 73 -37.939 14.599 -12.782 1.00 0.00 C ATOM 585 NE ARG A 73 -39.170 15.427 -12.656 1.00 0.00 N ATOM 586 CZ ARG A 73 -39.900 15.350 -11.578 1.00 0.00 C ATOM 587 NH1 ARG A 73 -40.393 14.201 -11.205 1.00 0.00 N ATOM 588 NH2 ARG A 73 -40.135 16.422 -10.872 1.00 0.00 N ATOM 0 H ARG A 73 -37.895 11.586 -16.078 1.00 0.00 H new ATOM 0 HA ARG A 73 -35.983 13.890 -16.300 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -36.918 12.262 -13.887 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -35.716 13.536 -13.825 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -37.447 15.128 -14.820 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -38.636 13.848 -14.686 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -38.035 13.693 -12.184 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -37.079 15.146 -12.396 1.00 0.00 H new ATOM 0 HE ARG A 73 -39.442 16.054 -13.413 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -40.207 13.363 -11.756 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -40.964 14.141 -10.362 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -39.748 17.320 -11.163 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -40.706 16.362 -10.029 1.00 0.00 H new ATOM 602 N ASN A 74 -35.319 10.838 -16.566 1.00 0.00 N ATOM 603 CA ASN A 74 -34.222 9.837 -16.697 1.00 0.00 C ATOM 604 C ASN A 74 -33.809 9.347 -15.308 1.00 0.00 C ATOM 605 O ASN A 74 -32.640 9.166 -15.026 1.00 0.00 O ATOM 606 CB ASN A 74 -33.021 10.486 -17.386 1.00 0.00 C ATOM 607 CG ASN A 74 -33.421 10.940 -18.790 1.00 0.00 C ATOM 608 OD1 ASN A 74 -34.439 10.526 -19.308 1.00 0.00 O ATOM 609 ND2 ASN A 74 -32.659 11.783 -19.432 1.00 0.00 N ATOM 0 H ASN A 74 -36.204 10.572 -16.999 1.00 0.00 H new ATOM 0 HA ASN A 74 -34.570 8.992 -17.291 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -32.671 11.338 -16.803 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -32.195 9.777 -17.443 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -32.918 12.094 -20.368 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -31.804 12.131 -18.998 1.00 0.00 H new ATOM 616 N CYS A 75 -34.756 9.132 -14.436 1.00 0.00 N ATOM 617 CA CYS A 75 -34.412 8.653 -13.068 1.00 0.00 C ATOM 618 C CYS A 75 -35.431 7.602 -12.623 1.00 0.00 C ATOM 619 O CYS A 75 -36.536 7.544 -13.123 1.00 0.00 O ATOM 620 CB CYS A 75 -34.438 9.832 -12.093 1.00 0.00 C ATOM 621 SG CYS A 75 -36.095 10.561 -12.070 1.00 0.00 S ATOM 0 H CYS A 75 -35.752 9.267 -14.612 1.00 0.00 H new ATOM 0 HA CYS A 75 -33.416 8.211 -13.079 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -34.163 9.497 -11.093 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -33.704 10.581 -12.391 1.00 0.00 H new ATOM 0 HG CYS A 75 -36.364 10.989 -10.872 1.00 0.00 H new ATOM 627 N ALA A 76 -35.068 6.770 -11.685 1.00 0.00 N ATOM 628 CA ALA A 76 -36.017 5.724 -11.210 1.00 0.00 C ATOM 629 C ALA A 76 -36.166 5.822 -9.690 1.00 0.00 C ATOM 630 O ALA A 76 -35.408 6.498 -9.024 1.00 0.00 O ATOM 631 CB ALA A 76 -35.478 4.340 -11.581 1.00 0.00 C ATOM 0 H ALA A 76 -34.156 6.770 -11.228 1.00 0.00 H new ATOM 0 HA ALA A 76 -36.989 5.874 -11.681 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -36.172 3.574 -11.234 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -35.371 4.269 -12.663 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -34.506 4.190 -11.110 1.00 0.00 H new ATOM 637 N PHE A 77 -37.139 5.152 -9.137 1.00 0.00 N ATOM 638 CA PHE A 77 -37.337 5.206 -7.661 1.00 0.00 C ATOM 639 C PHE A 77 -37.394 3.782 -7.105 1.00 0.00 C ATOM 640 O PHE A 77 -38.120 2.942 -7.596 1.00 0.00 O ATOM 641 CB PHE A 77 -38.648 5.930 -7.349 1.00 0.00 C ATOM 642 CG PHE A 77 -38.545 7.369 -7.790 1.00 0.00 C ATOM 643 CD1 PHE A 77 -38.006 8.329 -6.926 1.00 0.00 C ATOM 644 CD2 PHE A 77 -38.987 7.744 -9.065 1.00 0.00 C ATOM 645 CE1 PHE A 77 -37.910 9.665 -7.336 1.00 0.00 C ATOM 646 CE2 PHE A 77 -38.890 9.080 -9.474 1.00 0.00 C ATOM 647 CZ PHE A 77 -38.351 10.040 -8.610 1.00 0.00 C ATOM 0 H PHE A 77 -37.806 4.569 -9.643 1.00 0.00 H new ATOM 0 HA PHE A 77 -36.508 5.744 -7.200 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -39.477 5.440 -7.860 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -38.858 5.880 -6.281 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -37.664 8.040 -5.943 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -39.402 7.003 -9.732 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -37.495 10.406 -6.669 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -39.231 9.370 -10.457 1.00 0.00 H new ATOM 0 HZ PHE A 77 -38.275 11.070 -8.926 1.00 0.00 H new ATOM 657 N VAL A 78 -36.629 3.502 -6.085 1.00 0.00 N ATOM 658 CA VAL A 78 -36.638 2.131 -5.503 1.00 0.00 C ATOM 659 C VAL A 78 -37.124 2.188 -4.053 1.00 0.00 C ATOM 660 O VAL A 78 -36.571 2.888 -3.229 1.00 0.00 O ATOM 661 CB VAL A 78 -35.222 1.553 -5.540 1.00 0.00 C ATOM 662 CG1 VAL A 78 -35.261 0.078 -5.139 1.00 0.00 C ATOM 663 CG2 VAL A 78 -34.656 1.684 -6.956 1.00 0.00 C ATOM 0 H VAL A 78 -35.999 4.163 -5.630 1.00 0.00 H new ATOM 0 HA VAL A 78 -37.308 1.498 -6.084 1.00 0.00 H new ATOM 0 HB VAL A 78 -34.587 2.100 -4.843 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -34.252 -0.333 -5.166 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -35.664 -0.014 -4.130 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -35.895 -0.472 -5.835 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -33.647 1.273 -6.984 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -35.290 1.137 -7.653 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -34.627 2.736 -7.240 1.00 0.00 H new ATOM 673 N THR A 79 -38.152 1.449 -3.736 1.00 0.00 N ATOM 674 CA THR A 79 -38.671 1.454 -2.339 1.00 0.00 C ATOM 675 C THR A 79 -38.171 0.202 -1.614 1.00 0.00 C ATOM 676 O THR A 79 -38.172 -0.883 -2.161 1.00 0.00 O ATOM 677 CB THR A 79 -40.202 1.455 -2.363 1.00 0.00 C ATOM 678 OG1 THR A 79 -40.659 2.536 -3.163 1.00 0.00 O ATOM 679 CG2 THR A 79 -40.737 1.610 -0.938 1.00 0.00 C ATOM 0 H THR A 79 -38.655 0.842 -4.384 1.00 0.00 H new ATOM 0 HA THR A 79 -38.318 2.345 -1.819 1.00 0.00 H new ATOM 0 HB THR A 79 -40.560 0.515 -2.782 1.00 0.00 H new ATOM 0 HG1 THR A 79 -41.639 2.538 -3.181 1.00 0.00 H new ATOM 0 HG21 THR A 79 -41.827 1.611 -0.957 1.00 0.00 H new ATOM 0 HG22 THR A 79 -40.385 0.780 -0.325 1.00 0.00 H new ATOM 0 HG23 THR A 79 -40.381 2.550 -0.516 1.00 0.00 H new ATOM 687 N TYR A 80 -37.740 0.340 -0.391 1.00 0.00 N ATOM 688 CA TYR A 80 -37.238 -0.846 0.357 1.00 0.00 C ATOM 689 C TYR A 80 -38.129 -1.104 1.574 1.00 0.00 C ATOM 690 O TYR A 80 -38.534 -0.190 2.264 1.00 0.00 O ATOM 691 CB TYR A 80 -35.804 -0.585 0.821 1.00 0.00 C ATOM 692 CG TYR A 80 -34.838 -1.130 -0.204 1.00 0.00 C ATOM 693 CD1 TYR A 80 -35.040 -2.402 -0.751 1.00 0.00 C ATOM 694 CD2 TYR A 80 -33.740 -0.361 -0.607 1.00 0.00 C ATOM 695 CE1 TYR A 80 -34.146 -2.905 -1.703 1.00 0.00 C ATOM 696 CE2 TYR A 80 -32.845 -0.864 -1.559 1.00 0.00 C ATOM 697 CZ TYR A 80 -33.048 -2.136 -2.107 1.00 0.00 C ATOM 698 OH TYR A 80 -32.165 -2.631 -3.046 1.00 0.00 O ATOM 0 H TYR A 80 -37.714 1.221 0.122 1.00 0.00 H new ATOM 0 HA TYR A 80 -37.258 -1.719 -0.295 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -35.643 0.485 0.956 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -35.631 -1.058 1.788 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -35.886 -2.996 -0.438 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -33.583 0.620 -0.184 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -34.303 -3.886 -2.126 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -31.998 -0.271 -1.871 1.00 0.00 H new ATOM 0 HH TYR A 80 -32.126 -3.608 -2.975 1.00 0.00 H new ATOM 708 N GLU A 81 -38.433 -2.344 1.843 1.00 0.00 N ATOM 709 CA GLU A 81 -39.292 -2.663 3.017 1.00 0.00 C ATOM 710 C GLU A 81 -38.552 -2.288 4.301 1.00 0.00 C ATOM 711 O GLU A 81 -39.152 -2.027 5.325 1.00 0.00 O ATOM 712 CB GLU A 81 -39.605 -4.161 3.026 1.00 0.00 C ATOM 713 CG GLU A 81 -40.668 -4.455 4.087 1.00 0.00 C ATOM 714 CD GLU A 81 -40.920 -5.963 4.150 1.00 0.00 C ATOM 715 OE1 GLU A 81 -40.297 -6.680 3.386 1.00 0.00 O ATOM 716 OE2 GLU A 81 -41.734 -6.374 4.962 1.00 0.00 O ATOM 0 H GLU A 81 -38.123 -3.150 1.300 1.00 0.00 H new ATOM 0 HA GLU A 81 -40.222 -2.099 2.955 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -39.960 -4.475 2.044 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -38.700 -4.731 3.235 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -40.338 -4.089 5.059 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -41.593 -3.930 3.846 1.00 0.00 H new ATOM 723 N LYS A 82 -37.247 -2.260 4.255 1.00 0.00 N ATOM 724 CA LYS A 82 -36.463 -1.901 5.469 1.00 0.00 C ATOM 725 C LYS A 82 -35.610 -0.666 5.173 1.00 0.00 C ATOM 726 O LYS A 82 -35.047 -0.530 4.105 1.00 0.00 O ATOM 727 CB LYS A 82 -35.551 -3.069 5.851 1.00 0.00 C ATOM 728 CG LYS A 82 -36.403 -4.283 6.229 1.00 0.00 C ATOM 729 CD LYS A 82 -35.492 -5.417 6.703 1.00 0.00 C ATOM 730 CE LYS A 82 -36.327 -6.677 6.945 1.00 0.00 C ATOM 731 NZ LYS A 82 -35.954 -7.275 8.259 1.00 0.00 N ATOM 0 H LYS A 82 -36.690 -2.471 3.427 1.00 0.00 H new ATOM 0 HA LYS A 82 -37.144 -1.687 6.293 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -34.894 -3.318 5.018 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -34.912 -2.786 6.687 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -37.108 -4.015 7.016 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -36.991 -4.609 5.371 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -34.723 -5.616 5.957 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -34.979 -5.126 7.620 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -37.389 -6.430 6.934 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -36.159 -7.397 6.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -36.521 -8.131 8.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -34.944 -7.524 8.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -36.136 -6.587 9.018 1.00 0.00 H new ATOM 745 N MET A 83 -35.506 0.235 6.112 1.00 0.00 N ATOM 746 CA MET A 83 -34.687 1.458 5.880 1.00 0.00 C ATOM 747 C MET A 83 -33.212 1.067 5.770 1.00 0.00 C ATOM 748 O MET A 83 -32.422 1.746 5.144 1.00 0.00 O ATOM 749 CB MET A 83 -34.872 2.425 7.050 1.00 0.00 C ATOM 750 CG MET A 83 -36.349 2.799 7.175 1.00 0.00 C ATOM 751 SD MET A 83 -36.562 3.975 8.534 1.00 0.00 S ATOM 752 CE MET A 83 -38.363 4.107 8.440 1.00 0.00 C ATOM 0 H MET A 83 -35.952 0.177 7.028 1.00 0.00 H new ATOM 0 HA MET A 83 -35.006 1.941 4.956 1.00 0.00 H new ATOM 0 HB2 MET A 83 -34.523 1.965 7.974 1.00 0.00 H new ATOM 0 HB3 MET A 83 -34.271 3.321 6.893 1.00 0.00 H new ATOM 0 HG2 MET A 83 -36.704 3.237 6.242 1.00 0.00 H new ATOM 0 HG3 MET A 83 -36.947 1.906 7.356 1.00 0.00 H new ATOM 0 HE1 MET A 83 -38.718 4.797 9.206 1.00 0.00 H new ATOM 0 HE2 MET A 83 -38.650 4.478 7.456 1.00 0.00 H new ATOM 0 HE3 MET A 83 -38.809 3.126 8.602 1.00 0.00 H new ATOM 762 N GLU A 84 -32.834 -0.026 6.376 1.00 0.00 N ATOM 763 CA GLU A 84 -31.412 -0.463 6.308 1.00 0.00 C ATOM 764 C GLU A 84 -31.102 -0.978 4.902 1.00 0.00 C ATOM 765 O GLU A 84 -29.967 -0.985 4.467 1.00 0.00 O ATOM 766 CB GLU A 84 -31.175 -1.581 7.325 1.00 0.00 C ATOM 767 CG GLU A 84 -31.330 -1.022 8.741 1.00 0.00 C ATOM 768 CD GLU A 84 -30.379 0.161 8.929 1.00 0.00 C ATOM 769 OE1 GLU A 84 -29.433 0.263 8.164 1.00 0.00 O ATOM 770 OE2 GLU A 84 -30.612 0.946 9.833 1.00 0.00 O ATOM 0 H GLU A 84 -33.450 -0.635 6.915 1.00 0.00 H new ATOM 0 HA GLU A 84 -30.761 0.381 6.536 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -31.885 -2.392 7.163 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -30.177 -2.000 7.195 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -32.359 -0.705 8.908 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -31.113 -1.797 9.475 1.00 0.00 H new ATOM 777 N SER A 85 -32.103 -1.413 4.185 1.00 0.00 N ATOM 778 CA SER A 85 -31.866 -1.929 2.808 1.00 0.00 C ATOM 779 C SER A 85 -31.567 -0.758 1.871 1.00 0.00 C ATOM 780 O SER A 85 -30.868 -0.900 0.887 1.00 0.00 O ATOM 781 CB SER A 85 -33.113 -2.668 2.319 1.00 0.00 C ATOM 782 OG SER A 85 -33.427 -3.716 3.225 1.00 0.00 O ATOM 0 H SER A 85 -33.075 -1.433 4.494 1.00 0.00 H new ATOM 0 HA SER A 85 -31.018 -2.614 2.817 1.00 0.00 H new ATOM 0 HB2 SER A 85 -33.952 -1.976 2.241 1.00 0.00 H new ATOM 0 HB3 SER A 85 -32.941 -3.074 1.322 1.00 0.00 H new ATOM 0 HG SER A 85 -34.227 -4.189 2.914 1.00 0.00 H new ATOM 788 N ALA A 86 -32.090 0.399 2.169 1.00 0.00 N ATOM 789 CA ALA A 86 -31.836 1.580 1.296 1.00 0.00 C ATOM 790 C ALA A 86 -30.456 2.161 1.612 1.00 0.00 C ATOM 791 O ALA A 86 -29.693 2.488 0.725 1.00 0.00 O ATOM 792 CB ALA A 86 -32.906 2.643 1.554 1.00 0.00 C ATOM 0 H ALA A 86 -32.683 0.578 2.980 1.00 0.00 H new ATOM 0 HA ALA A 86 -31.871 1.273 0.251 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -32.721 3.507 0.916 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -33.890 2.231 1.331 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -32.870 2.949 2.599 1.00 0.00 H new ATOM 798 N ASP A 87 -30.130 2.294 2.869 1.00 0.00 N ATOM 799 CA ASP A 87 -28.800 2.856 3.238 1.00 0.00 C ATOM 800 C ASP A 87 -27.695 1.902 2.783 1.00 0.00 C ATOM 801 O ASP A 87 -26.630 2.320 2.372 1.00 0.00 O ATOM 802 CB ASP A 87 -28.722 3.034 4.756 1.00 0.00 C ATOM 803 CG ASP A 87 -29.791 4.030 5.209 1.00 0.00 C ATOM 804 OD1 ASP A 87 -30.332 4.719 4.359 1.00 0.00 O ATOM 805 OD2 ASP A 87 -30.050 4.089 6.400 1.00 0.00 O ATOM 0 H ASP A 87 -30.727 2.038 3.656 1.00 0.00 H new ATOM 0 HA ASP A 87 -28.670 3.822 2.750 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -28.869 2.075 5.253 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -27.733 3.392 5.040 1.00 0.00 H new ATOM 810 N GLN A 88 -27.937 0.624 2.856 1.00 0.00 N ATOM 811 CA GLN A 88 -26.898 -0.357 2.429 1.00 0.00 C ATOM 812 C GLN A 88 -26.826 -0.393 0.903 1.00 0.00 C ATOM 813 O GLN A 88 -25.773 -0.582 0.325 1.00 0.00 O ATOM 814 CB GLN A 88 -27.261 -1.747 2.958 1.00 0.00 C ATOM 815 CG GLN A 88 -26.135 -2.729 2.626 1.00 0.00 C ATOM 816 CD GLN A 88 -24.965 -2.506 3.587 1.00 0.00 C ATOM 817 OE1 GLN A 88 -25.112 -2.647 4.784 1.00 0.00 O ATOM 818 NE2 GLN A 88 -23.800 -2.163 3.108 1.00 0.00 N ATOM 0 H GLN A 88 -28.809 0.215 3.193 1.00 0.00 H new ATOM 0 HA GLN A 88 -25.929 -0.058 2.830 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -27.418 -1.708 4.036 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -28.196 -2.085 2.512 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -26.496 -3.754 2.707 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -25.806 -2.588 1.596 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -23.677 -2.045 2.102 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -23.013 -2.013 3.739 1.00 0.00 H new ATOM 827 N ALA A 89 -27.936 -0.210 0.243 1.00 0.00 N ATOM 828 CA ALA A 89 -27.929 -0.231 -1.247 1.00 0.00 C ATOM 829 C ALA A 89 -27.369 1.093 -1.769 1.00 0.00 C ATOM 830 O ALA A 89 -26.596 1.127 -2.706 1.00 0.00 O ATOM 831 CB ALA A 89 -29.358 -0.416 -1.762 1.00 0.00 C ATOM 0 H ALA A 89 -28.847 -0.047 0.671 1.00 0.00 H new ATOM 0 HA ALA A 89 -27.307 -1.055 -1.597 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -29.353 -0.431 -2.852 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -29.761 -1.357 -1.388 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -29.980 0.409 -1.414 1.00 0.00 H new ATOM 837 N VAL A 90 -27.751 2.185 -1.166 1.00 0.00 N ATOM 838 CA VAL A 90 -27.242 3.509 -1.623 1.00 0.00 C ATOM 839 C VAL A 90 -25.739 3.601 -1.342 1.00 0.00 C ATOM 840 O VAL A 90 -25.007 4.268 -2.045 1.00 0.00 O ATOM 841 CB VAL A 90 -27.971 4.622 -0.867 1.00 0.00 C ATOM 842 CG1 VAL A 90 -27.320 5.968 -1.188 1.00 0.00 C ATOM 843 CG2 VAL A 90 -29.440 4.650 -1.292 1.00 0.00 C ATOM 0 H VAL A 90 -28.395 2.218 -0.375 1.00 0.00 H new ATOM 0 HA VAL A 90 -27.419 3.619 -2.693 1.00 0.00 H new ATOM 0 HB VAL A 90 -27.907 4.435 0.205 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -27.839 6.761 -0.650 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -26.274 5.948 -0.884 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -27.383 6.156 -2.260 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -29.959 5.443 -0.754 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -29.505 4.836 -2.364 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -29.904 3.691 -1.062 1.00 0.00 H new ATOM 853 N ALA A 91 -25.276 2.935 -0.320 1.00 0.00 N ATOM 854 CA ALA A 91 -23.822 2.985 0.005 1.00 0.00 C ATOM 855 C ALA A 91 -23.045 2.124 -0.992 1.00 0.00 C ATOM 856 O ALA A 91 -21.958 2.469 -1.412 1.00 0.00 O ATOM 857 CB ALA A 91 -23.597 2.448 1.420 1.00 0.00 C ATOM 0 H ALA A 91 -25.841 2.359 0.304 1.00 0.00 H new ATOM 0 HA ALA A 91 -23.473 4.016 -0.055 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -22.534 2.484 1.658 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -24.150 3.059 2.133 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -23.947 1.417 1.478 1.00 0.00 H new ATOM 863 N GLU A 92 -23.592 1.002 -1.375 1.00 0.00 N ATOM 864 CA GLU A 92 -22.881 0.120 -2.342 1.00 0.00 C ATOM 865 C GLU A 92 -23.246 0.525 -3.772 1.00 0.00 C ATOM 866 O GLU A 92 -22.396 0.614 -4.636 1.00 0.00 O ATOM 867 CB GLU A 92 -23.294 -1.334 -2.102 1.00 0.00 C ATOM 868 CG GLU A 92 -22.758 -1.801 -0.747 1.00 0.00 C ATOM 869 CD GLU A 92 -21.229 -1.776 -0.769 1.00 0.00 C ATOM 870 OE1 GLU A 92 -20.673 -1.700 -1.852 1.00 0.00 O ATOM 871 OE2 GLU A 92 -20.640 -1.834 0.298 1.00 0.00 O ATOM 0 H GLU A 92 -24.500 0.659 -1.060 1.00 0.00 H new ATOM 0 HA GLU A 92 -21.805 0.222 -2.202 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -24.380 -1.423 -2.125 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -22.905 -1.970 -2.897 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -23.132 -1.154 0.047 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -23.113 -2.809 -0.531 1.00 0.00 H new ATOM 878 N LEU A 93 -24.502 0.768 -4.031 1.00 0.00 N ATOM 879 CA LEU A 93 -24.914 1.163 -5.408 1.00 0.00 C ATOM 880 C LEU A 93 -24.297 2.519 -5.759 1.00 0.00 C ATOM 881 O LEU A 93 -23.810 2.725 -6.853 1.00 0.00 O ATOM 882 CB LEU A 93 -26.441 1.266 -5.476 1.00 0.00 C ATOM 883 CG LEU A 93 -27.060 -0.126 -5.315 1.00 0.00 C ATOM 884 CD1 LEU A 93 -28.537 -0.074 -5.715 1.00 0.00 C ATOM 885 CD2 LEU A 93 -26.326 -1.124 -6.213 1.00 0.00 C ATOM 0 H LEU A 93 -25.259 0.710 -3.350 1.00 0.00 H new ATOM 0 HA LEU A 93 -24.568 0.412 -6.118 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -26.806 1.930 -4.692 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -26.744 1.701 -6.428 1.00 0.00 H new ATOM 0 HG LEU A 93 -26.972 -0.443 -4.276 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -28.980 -1.063 -5.601 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -29.063 0.634 -5.075 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -28.622 0.244 -6.754 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -26.769 -2.113 -6.096 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -26.412 -0.809 -7.253 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -25.274 -1.162 -5.931 1.00 0.00 H new ATOM 897 N ASN A 94 -24.314 3.447 -4.840 1.00 0.00 N ATOM 898 CA ASN A 94 -23.728 4.788 -5.123 1.00 0.00 C ATOM 899 C ASN A 94 -22.250 4.635 -5.488 1.00 0.00 C ATOM 900 O ASN A 94 -21.487 4.012 -4.777 1.00 0.00 O ATOM 901 CB ASN A 94 -23.858 5.673 -3.882 1.00 0.00 C ATOM 902 CG ASN A 94 -23.234 7.042 -4.164 1.00 0.00 C ATOM 903 OD1 ASN A 94 -22.683 7.264 -5.224 1.00 0.00 O ATOM 904 ND2 ASN A 94 -23.298 7.975 -3.254 1.00 0.00 N ATOM 0 H ASN A 94 -24.708 3.334 -3.906 1.00 0.00 H new ATOM 0 HA ASN A 94 -24.261 5.248 -5.955 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -24.908 5.788 -3.613 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -23.361 5.203 -3.033 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -22.886 8.891 -3.432 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -23.761 7.789 -2.364 1.00 0.00 H new ATOM 911 N GLY A 95 -21.839 5.199 -6.591 1.00 0.00 N ATOM 912 CA GLY A 95 -20.411 5.087 -6.998 1.00 0.00 C ATOM 913 C GLY A 95 -20.172 3.728 -7.662 1.00 0.00 C ATOM 914 O GLY A 95 -19.265 3.003 -7.302 1.00 0.00 O ATOM 0 H GLY A 95 -22.431 5.732 -7.228 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -20.155 5.891 -7.688 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -19.764 5.197 -6.127 1.00 0.00 H new ATOM 918 N THR A 96 -20.975 3.377 -8.628 1.00 0.00 N ATOM 919 CA THR A 96 -20.789 2.067 -9.311 1.00 0.00 C ATOM 920 C THR A 96 -20.819 2.271 -10.825 1.00 0.00 C ATOM 921 O THR A 96 -21.225 3.306 -11.314 1.00 0.00 O ATOM 922 CB THR A 96 -21.913 1.112 -8.903 1.00 0.00 C ATOM 923 OG1 THR A 96 -23.157 1.627 -9.358 1.00 0.00 O ATOM 924 CG2 THR A 96 -21.941 0.975 -7.381 1.00 0.00 C ATOM 0 H THR A 96 -21.752 3.941 -8.974 1.00 0.00 H new ATOM 0 HA THR A 96 -19.828 1.642 -9.021 1.00 0.00 H new ATOM 0 HB THR A 96 -21.739 0.133 -9.350 1.00 0.00 H new ATOM 0 HG1 THR A 96 -23.611 2.086 -8.620 1.00 0.00 H new ATOM 0 HG21 THR A 96 -22.742 0.295 -7.092 1.00 0.00 H new ATOM 0 HG22 THR A 96 -20.986 0.580 -7.034 1.00 0.00 H new ATOM 0 HG23 THR A 96 -22.115 1.952 -6.931 1.00 0.00 H new ATOM 932 N GLN A 97 -20.395 1.290 -11.573 1.00 0.00 N ATOM 933 CA GLN A 97 -20.400 1.426 -13.056 1.00 0.00 C ATOM 934 C GLN A 97 -20.939 0.139 -13.682 1.00 0.00 C ATOM 935 O GLN A 97 -20.957 -0.905 -13.062 1.00 0.00 O ATOM 936 CB GLN A 97 -18.976 1.678 -13.552 1.00 0.00 C ATOM 937 CG GLN A 97 -19.015 2.090 -15.025 1.00 0.00 C ATOM 938 CD GLN A 97 -17.591 2.354 -15.520 1.00 0.00 C ATOM 939 OE1 GLN A 97 -16.669 2.440 -14.733 1.00 0.00 O ATOM 940 NE2 GLN A 97 -17.372 2.490 -16.799 1.00 0.00 N ATOM 0 H GLN A 97 -20.045 0.399 -11.220 1.00 0.00 H new ATOM 0 HA GLN A 97 -21.035 2.264 -13.342 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -18.505 2.460 -12.957 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -18.373 0.778 -13.431 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -19.479 1.304 -15.621 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -19.625 2.985 -15.147 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -18.146 2.418 -17.459 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -16.427 2.669 -17.138 1.00 0.00 H new ATOM 949 N VAL A 98 -21.379 0.206 -14.908 1.00 0.00 N ATOM 950 CA VAL A 98 -21.917 -1.013 -15.576 1.00 0.00 C ATOM 951 C VAL A 98 -20.975 -1.418 -16.710 1.00 0.00 C ATOM 952 O VAL A 98 -19.839 -0.989 -16.766 1.00 0.00 O ATOM 953 CB VAL A 98 -23.311 -0.729 -16.156 1.00 0.00 C ATOM 954 CG1 VAL A 98 -24.264 -1.860 -15.763 1.00 0.00 C ATOM 955 CG2 VAL A 98 -23.852 0.599 -15.615 1.00 0.00 C ATOM 0 H VAL A 98 -21.389 1.053 -15.477 1.00 0.00 H new ATOM 0 HA VAL A 98 -21.993 -1.817 -14.844 1.00 0.00 H new ATOM 0 HB VAL A 98 -23.236 -0.666 -17.242 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -25.254 -1.661 -16.173 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -23.891 -2.804 -16.159 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -24.327 -1.921 -14.677 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -24.840 0.787 -16.034 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -23.923 0.547 -14.529 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -23.178 1.408 -15.897 1.00 0.00 H new ATOM 965 N GLU A 99 -21.436 -2.231 -17.619 1.00 0.00 N ATOM 966 CA GLU A 99 -20.561 -2.645 -18.750 1.00 0.00 C ATOM 967 C GLU A 99 -20.033 -1.393 -19.450 1.00 0.00 C ATOM 968 O GLU A 99 -19.035 -1.428 -20.144 1.00 0.00 O ATOM 969 CB GLU A 99 -21.367 -3.486 -19.742 1.00 0.00 C ATOM 970 CG GLU A 99 -20.463 -3.918 -20.897 1.00 0.00 C ATOM 971 CD GLU A 99 -21.311 -4.569 -21.991 1.00 0.00 C ATOM 972 OE1 GLU A 99 -22.521 -4.596 -21.838 1.00 0.00 O ATOM 973 OE2 GLU A 99 -20.736 -5.032 -22.963 1.00 0.00 O ATOM 0 H GLU A 99 -22.377 -2.625 -17.628 1.00 0.00 H new ATOM 0 HA GLU A 99 -19.727 -3.238 -18.374 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -21.779 -4.362 -19.241 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -22.211 -2.910 -20.122 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -19.931 -3.056 -21.299 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -19.709 -4.620 -20.540 1.00 0.00 H new ATOM 980 N SER A 100 -20.696 -0.285 -19.267 1.00 0.00 N ATOM 981 CA SER A 100 -20.240 0.978 -19.913 1.00 0.00 C ATOM 982 C SER A 100 -21.196 2.112 -19.540 1.00 0.00 C ATOM 983 O SER A 100 -21.477 2.987 -20.335 1.00 0.00 O ATOM 984 CB SER A 100 -20.229 0.799 -21.433 1.00 0.00 C ATOM 985 OG SER A 100 -19.177 1.571 -21.992 1.00 0.00 O ATOM 0 H SER A 100 -21.537 -0.199 -18.696 1.00 0.00 H new ATOM 0 HA SER A 100 -19.234 1.221 -19.569 1.00 0.00 H new ATOM 0 HB2 SER A 100 -20.096 -0.253 -21.685 1.00 0.00 H new ATOM 0 HB3 SER A 100 -21.186 1.109 -21.854 1.00 0.00 H new ATOM 0 HG SER A 100 -19.168 1.456 -22.965 1.00 0.00 H new ATOM 991 N VAL A 101 -21.701 2.106 -18.335 1.00 0.00 N ATOM 992 CA VAL A 101 -22.639 3.184 -17.915 1.00 0.00 C ATOM 993 C VAL A 101 -22.380 3.544 -16.449 1.00 0.00 C ATOM 994 O VAL A 101 -21.700 2.833 -15.735 1.00 0.00 O ATOM 995 CB VAL A 101 -24.078 2.689 -18.076 1.00 0.00 C ATOM 996 CG1 VAL A 101 -25.032 3.641 -17.353 1.00 0.00 C ATOM 997 CG2 VAL A 101 -24.439 2.639 -19.562 1.00 0.00 C ATOM 0 H VAL A 101 -21.504 1.401 -17.625 1.00 0.00 H new ATOM 0 HA VAL A 101 -22.485 4.067 -18.535 1.00 0.00 H new ATOM 0 HB VAL A 101 -24.166 1.691 -17.646 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -26.056 3.287 -17.469 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -24.778 3.676 -16.294 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -24.943 4.640 -17.781 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -25.464 2.286 -19.676 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -24.349 3.636 -19.992 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -23.762 1.959 -20.078 1.00 0.00 H new ATOM 1007 N GLN A 102 -22.917 4.645 -15.995 1.00 0.00 N ATOM 1008 CA GLN A 102 -22.707 5.055 -14.578 1.00 0.00 C ATOM 1009 C GLN A 102 -24.062 5.326 -13.920 1.00 0.00 C ATOM 1010 O GLN A 102 -24.916 5.980 -14.485 1.00 0.00 O ATOM 1011 CB GLN A 102 -21.856 6.327 -14.535 1.00 0.00 C ATOM 1012 CG GLN A 102 -20.485 6.047 -15.152 1.00 0.00 C ATOM 1013 CD GLN A 102 -19.624 7.310 -15.078 1.00 0.00 C ATOM 1014 OE1 GLN A 102 -20.130 8.391 -14.853 1.00 0.00 O ATOM 1015 NE2 GLN A 102 -18.335 7.217 -15.257 1.00 0.00 N ATOM 0 H GLN A 102 -23.494 5.279 -16.547 1.00 0.00 H new ATOM 0 HA GLN A 102 -22.195 4.257 -14.041 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -22.354 7.129 -15.080 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -21.741 6.665 -13.505 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -19.996 5.229 -14.622 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -20.599 5.732 -16.189 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -17.911 6.309 -15.446 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -17.752 8.052 -15.208 1.00 0.00 H new ATOM 1024 N LEU A 103 -24.268 4.827 -12.732 1.00 0.00 N ATOM 1025 CA LEU A 103 -25.571 5.054 -12.043 1.00 0.00 C ATOM 1026 C LEU A 103 -25.384 6.074 -10.916 1.00 0.00 C ATOM 1027 O LEU A 103 -24.288 6.304 -10.447 1.00 0.00 O ATOM 1028 CB LEU A 103 -26.069 3.733 -11.456 1.00 0.00 C ATOM 1029 CG LEU A 103 -27.561 3.843 -11.135 1.00 0.00 C ATOM 1030 CD1 LEU A 103 -28.326 2.746 -11.877 1.00 0.00 C ATOM 1031 CD2 LEU A 103 -27.770 3.680 -9.627 1.00 0.00 C ATOM 0 H LEU A 103 -23.591 4.272 -12.208 1.00 0.00 H new ATOM 0 HA LEU A 103 -26.300 5.435 -12.758 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -25.898 2.922 -12.164 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -25.509 3.491 -10.552 1.00 0.00 H new ATOM 0 HG LEU A 103 -27.930 4.819 -11.451 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -29.389 2.825 -11.648 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -28.177 2.861 -12.951 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -27.958 1.769 -11.562 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -28.832 3.758 -9.396 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -27.401 2.704 -9.312 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -27.225 4.462 -9.098 1.00 0.00 H new ATOM 1043 N LYS A 104 -26.453 6.684 -10.477 1.00 0.00 N ATOM 1044 CA LYS A 104 -26.343 7.686 -9.379 1.00 0.00 C ATOM 1045 C LYS A 104 -27.534 7.528 -8.431 1.00 0.00 C ATOM 1046 O LYS A 104 -28.677 7.631 -8.832 1.00 0.00 O ATOM 1047 CB LYS A 104 -26.343 9.098 -9.971 1.00 0.00 C ATOM 1048 CG LYS A 104 -25.994 10.110 -8.876 1.00 0.00 C ATOM 1049 CD LYS A 104 -24.474 10.170 -8.702 1.00 0.00 C ATOM 1050 CE LYS A 104 -24.114 11.329 -7.769 1.00 0.00 C ATOM 1051 NZ LYS A 104 -24.537 10.997 -6.379 1.00 0.00 N ATOM 0 H LYS A 104 -27.397 6.531 -10.832 1.00 0.00 H new ATOM 0 HA LYS A 104 -25.415 7.526 -8.830 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -25.621 9.163 -10.785 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -27.321 9.327 -10.394 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -26.380 11.095 -9.140 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -26.467 9.823 -7.937 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -24.107 9.230 -8.290 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -23.991 10.304 -9.670 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -23.040 11.514 -7.799 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -24.605 12.244 -8.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -25.209 11.714 -6.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -24.993 10.063 -6.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -23.704 10.982 -5.757 1.00 0.00 H new ATOM 1065 N VAL A 105 -27.279 7.275 -7.177 1.00 0.00 N ATOM 1066 CA VAL A 105 -28.398 7.106 -6.209 1.00 0.00 C ATOM 1067 C VAL A 105 -28.448 8.306 -5.261 1.00 0.00 C ATOM 1068 O VAL A 105 -27.441 8.731 -4.728 1.00 0.00 O ATOM 1069 CB VAL A 105 -28.182 5.827 -5.398 1.00 0.00 C ATOM 1070 CG1 VAL A 105 -29.423 5.548 -4.550 1.00 0.00 C ATOM 1071 CG2 VAL A 105 -27.941 4.654 -6.350 1.00 0.00 C ATOM 0 H VAL A 105 -26.344 7.178 -6.781 1.00 0.00 H new ATOM 0 HA VAL A 105 -29.339 7.039 -6.756 1.00 0.00 H new ATOM 0 HB VAL A 105 -27.316 5.950 -4.747 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -29.271 4.637 -3.971 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -29.596 6.384 -3.872 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -30.288 5.424 -5.201 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -27.787 3.742 -5.773 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -28.807 4.530 -7.001 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -27.057 4.853 -6.956 1.00 0.00 H new ATOM 1081 N ASN A 106 -29.612 8.852 -5.044 1.00 0.00 N ATOM 1082 CA ASN A 106 -29.731 10.021 -4.127 1.00 0.00 C ATOM 1083 C ASN A 106 -30.802 9.730 -3.073 1.00 0.00 C ATOM 1084 O ASN A 106 -31.539 8.769 -3.172 1.00 0.00 O ATOM 1085 CB ASN A 106 -30.128 11.262 -4.927 1.00 0.00 C ATOM 1086 CG ASN A 106 -29.112 11.494 -6.048 1.00 0.00 C ATOM 1087 OD1 ASN A 106 -29.472 11.563 -7.206 1.00 0.00 O ATOM 1088 ND2 ASN A 106 -27.848 11.620 -5.749 1.00 0.00 N ATOM 0 H ASN A 106 -30.488 8.539 -5.463 1.00 0.00 H new ATOM 0 HA ASN A 106 -28.773 10.198 -3.637 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -31.126 11.133 -5.347 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -30.168 12.132 -4.272 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -27.162 11.776 -6.488 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -27.546 11.562 -4.777 1.00 0.00 H new ATOM 1095 N ILE A 107 -30.896 10.551 -2.064 1.00 0.00 N ATOM 1096 CA ILE A 107 -31.920 10.319 -1.006 1.00 0.00 C ATOM 1097 C ILE A 107 -33.051 11.338 -1.156 1.00 0.00 C ATOM 1098 O ILE A 107 -32.817 12.519 -1.318 1.00 0.00 O ATOM 1099 CB ILE A 107 -31.274 10.473 0.371 1.00 0.00 C ATOM 1100 CG1 ILE A 107 -30.036 9.578 0.460 1.00 0.00 C ATOM 1101 CG2 ILE A 107 -32.275 10.066 1.454 1.00 0.00 C ATOM 1102 CD1 ILE A 107 -29.340 9.805 1.804 1.00 0.00 C ATOM 0 H ILE A 107 -30.308 11.373 -1.926 1.00 0.00 H new ATOM 0 HA ILE A 107 -32.324 9.312 -1.107 1.00 0.00 H new ATOM 0 HB ILE A 107 -30.981 11.513 0.518 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -30.322 8.531 0.359 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -29.352 9.802 -0.359 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -31.814 10.176 2.436 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -33.156 10.705 1.393 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -32.569 9.027 1.306 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -28.458 9.168 1.869 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -29.040 10.850 1.887 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -30.026 9.559 2.615 1.00 0.00 H new ATOM 1114 N ALA A 108 -34.275 10.892 -1.100 1.00 0.00 N ATOM 1115 CA ALA A 108 -35.419 11.838 -1.236 1.00 0.00 C ATOM 1116 C ALA A 108 -35.383 12.844 -0.084 1.00 0.00 C ATOM 1117 O ALA A 108 -35.731 13.998 -0.244 1.00 0.00 O ATOM 1118 CB ALA A 108 -36.735 11.058 -1.193 1.00 0.00 C ATOM 0 H ALA A 108 -34.533 9.914 -0.966 1.00 0.00 H new ATOM 0 HA ALA A 108 -35.344 12.368 -2.186 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -37.571 11.750 -1.292 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -36.759 10.339 -2.012 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -36.813 10.528 -0.244 1.00 0.00 H new