USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 551 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 2 SER OG : rot 150:sc= 0.259 USER MOD Set 1.2: A 51 HIS : no HD1:sc= -4.87! C(o=-4.6!,f=-6.1!) USER MOD Set 2.1: A 31 GLN : amide:sc= 0.849 K(o=-0.26,f=-3.7!) USER MOD Set 2.2: A 33 TYR OH : rot -82:sc= 0.987 USER MOD Set 2.3: A 43 ASN : amide:sc= -3.49 K(o=-0.26,f=-3.2!) USER MOD Set 2.4: A 48 THR OG1 : rot 95:sc= 0.16 USER MOD Set 2.5: A 50 THR OG1 : rot -101:sc= 1.23 USER MOD Single : A 1 ASP N :NH3+ -163:sc= -1.33 (180deg=-2.19!) USER MOD Single : A 4 MET CE :methyl -153:sc= -0.778! (180deg=-3.06!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 15:sc= -1.13 USER MOD Single : A 16 TYR OH : rot 173:sc= -1.53! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot -15:sc= 0.279 USER MOD Single : A 34 ASN : amide:sc= -0.53 K(o=-0.53,f=-2.2!) USER MOD Single : A 35 ASN : amide:sc= -7.91! C(o=-7.9!,f=-21!) USER MOD Single : A 38 MET CE :methyl -154:sc= -0.275 (180deg=-1.52!) USER MOD Single : A 41 HIS : no HE2:sc= -0.32 K(o=-0.32,f=-5.5!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 49 ASN : amide:sc= -0.0246 K(o=-0.025,f=-1.6!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -65:sc= 0.91 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -15.222 -11.972 7.600 1.00 0.00 N ATOM 2 CA ASP A 1 -13.754 -11.853 7.820 1.00 0.00 C ATOM 3 C ASP A 1 -13.344 -10.382 7.758 1.00 0.00 C ATOM 4 O ASP A 1 -14.172 -9.501 7.626 1.00 0.00 O ATOM 5 CB ASP A 1 -13.008 -12.629 6.733 1.00 0.00 C ATOM 6 CG ASP A 1 -13.417 -12.099 5.357 1.00 0.00 C ATOM 7 OD1 ASP A 1 -14.202 -11.167 5.312 1.00 0.00 O ATOM 8 OD2 ASP A 1 -12.935 -12.634 4.371 1.00 0.00 O ATOM 0 H1 ASP A 1 -15.546 -12.907 7.921 1.00 0.00 H new ATOM 0 H2 ASP A 1 -15.715 -11.231 8.138 1.00 0.00 H new ATOM 0 H3 ASP A 1 -15.431 -11.862 6.587 1.00 0.00 H new ATOM 0 HA ASP A 1 -13.504 -12.262 8.799 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -11.932 -12.524 6.870 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -13.237 -13.692 6.808 1.00 0.00 H new ATOM 15 N SER A 2 -12.072 -10.108 7.845 1.00 0.00 N ATOM 16 CA SER A 2 -11.608 -8.695 7.784 1.00 0.00 C ATOM 17 C SER A 2 -12.185 -8.033 6.533 1.00 0.00 C ATOM 18 O SER A 2 -12.521 -6.866 6.533 1.00 0.00 O ATOM 19 CB SER A 2 -10.081 -8.665 7.716 1.00 0.00 C ATOM 20 OG SER A 2 -9.550 -8.558 9.027 1.00 0.00 O ATOM 0 H SER A 2 -11.333 -10.803 7.956 1.00 0.00 H new ATOM 0 HA SER A 2 -11.942 -8.159 8.672 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.710 -9.570 7.235 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.750 -7.823 7.108 1.00 0.00 H new ATOM 0 HG SER A 2 -8.675 -8.998 9.063 1.00 0.00 H new ATOM 26 N GLU A 3 -12.302 -8.775 5.468 1.00 0.00 N ATOM 27 CA GLU A 3 -12.859 -8.197 4.214 1.00 0.00 C ATOM 28 C GLU A 3 -14.236 -7.602 4.504 1.00 0.00 C ATOM 29 O GLU A 3 -14.679 -6.685 3.843 1.00 0.00 O ATOM 30 CB GLU A 3 -12.986 -9.296 3.159 1.00 0.00 C ATOM 31 CG GLU A 3 -11.802 -9.212 2.192 1.00 0.00 C ATOM 32 CD GLU A 3 -11.895 -10.347 1.171 1.00 0.00 C ATOM 33 OE1 GLU A 3 -12.996 -10.816 0.936 1.00 0.00 O ATOM 34 OE2 GLU A 3 -10.864 -10.728 0.642 1.00 0.00 O ATOM 0 H GLU A 3 -12.036 -9.758 5.412 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.195 -7.416 3.842 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -13.009 -10.275 3.638 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.923 -9.186 2.614 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -11.803 -8.249 1.682 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -10.864 -9.280 2.743 1.00 0.00 H new ATOM 41 N MET A 4 -14.913 -8.112 5.496 1.00 0.00 N ATOM 42 CA MET A 4 -16.258 -7.567 5.834 1.00 0.00 C ATOM 43 C MET A 4 -16.090 -6.177 6.444 1.00 0.00 C ATOM 44 O MET A 4 -16.964 -5.338 6.355 1.00 0.00 O ATOM 45 CB MET A 4 -16.945 -8.489 6.843 1.00 0.00 C ATOM 46 CG MET A 4 -17.005 -9.909 6.278 1.00 0.00 C ATOM 47 SD MET A 4 -18.159 -9.952 4.884 1.00 0.00 S ATOM 48 CE MET A 4 -19.577 -9.219 5.737 1.00 0.00 C ATOM 0 H MET A 4 -14.594 -8.881 6.086 1.00 0.00 H new ATOM 0 HA MET A 4 -16.868 -7.504 4.933 1.00 0.00 H new ATOM 0 HB2 MET A 4 -16.399 -8.484 7.786 1.00 0.00 H new ATOM 0 HB3 MET A 4 -17.951 -8.128 7.055 1.00 0.00 H new ATOM 0 HG2 MET A 4 -16.014 -10.226 5.954 1.00 0.00 H new ATOM 0 HG3 MET A 4 -17.325 -10.607 7.052 1.00 0.00 H new ATOM 0 HE1 MET A 4 -20.500 -9.566 5.273 1.00 0.00 H new ATOM 0 HE2 MET A 4 -19.564 -9.516 6.786 1.00 0.00 H new ATOM 0 HE3 MET A 4 -19.522 -8.133 5.667 1.00 0.00 H new ATOM 58 N CYS A 5 -14.966 -5.929 7.058 1.00 0.00 N ATOM 59 CA CYS A 5 -14.727 -4.594 7.673 1.00 0.00 C ATOM 60 C CYS A 5 -14.290 -3.607 6.589 1.00 0.00 C ATOM 61 O CYS A 5 -14.315 -2.407 6.778 1.00 0.00 O ATOM 62 CB CYS A 5 -13.627 -4.715 8.730 1.00 0.00 C ATOM 63 SG CYS A 5 -14.040 -6.044 9.877 1.00 0.00 S ATOM 0 H CYS A 5 -14.201 -6.596 7.160 1.00 0.00 H new ATOM 0 HA CYS A 5 -15.644 -4.235 8.141 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -12.669 -4.918 8.252 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -13.521 -3.774 9.270 1.00 0.00 H new ATOM 68 N LYS A 6 -13.889 -4.105 5.452 1.00 0.00 N ATOM 69 CA LYS A 6 -13.451 -3.197 4.354 1.00 0.00 C ATOM 70 C LYS A 6 -14.674 -2.649 3.613 1.00 0.00 C ATOM 71 O LYS A 6 -14.550 -2.027 2.576 1.00 0.00 O ATOM 72 CB LYS A 6 -12.570 -3.973 3.372 1.00 0.00 C ATOM 73 CG LYS A 6 -11.418 -4.643 4.127 1.00 0.00 C ATOM 74 CD LYS A 6 -10.308 -5.010 3.140 1.00 0.00 C ATOM 75 CE LYS A 6 -9.064 -5.462 3.907 1.00 0.00 C ATOM 76 NZ LYS A 6 -7.864 -5.321 3.033 1.00 0.00 N ATOM 0 H LYS A 6 -13.846 -5.101 5.235 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.886 -2.368 4.779 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -13.164 -4.726 2.853 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -12.175 -3.299 2.612 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.031 -3.971 4.893 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.775 -5.537 4.638 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.647 -5.806 2.476 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.068 -4.152 2.512 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.942 -4.863 4.810 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -9.176 -6.499 4.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.018 -5.628 3.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.981 -5.911 2.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.755 -4.326 2.751 1.00 0.00 H new ATOM 90 N ASP A 7 -15.857 -2.876 4.122 1.00 0.00 N ATOM 91 CA ASP A 7 -17.071 -2.366 3.421 1.00 0.00 C ATOM 92 C ASP A 7 -18.039 -1.724 4.420 1.00 0.00 C ATOM 93 O ASP A 7 -19.123 -1.310 4.061 1.00 0.00 O ATOM 94 CB ASP A 7 -17.772 -3.529 2.717 1.00 0.00 C ATOM 95 CG ASP A 7 -16.875 -4.064 1.599 1.00 0.00 C ATOM 96 OD1 ASP A 7 -15.949 -3.366 1.224 1.00 0.00 O ATOM 97 OD2 ASP A 7 -17.131 -5.163 1.138 1.00 0.00 O ATOM 0 H ASP A 7 -16.034 -3.388 4.986 1.00 0.00 H new ATOM 0 HA ASP A 7 -16.767 -1.614 2.693 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -17.992 -4.322 3.432 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -18.725 -3.198 2.306 1.00 0.00 H new ATOM 102 N TYR A 8 -17.669 -1.633 5.667 1.00 0.00 N ATOM 103 CA TYR A 8 -18.592 -1.013 6.658 1.00 0.00 C ATOM 104 C TYR A 8 -17.979 0.284 7.198 1.00 0.00 C ATOM 105 O TYR A 8 -16.779 0.476 7.167 1.00 0.00 O ATOM 106 CB TYR A 8 -18.860 -2.004 7.805 1.00 0.00 C ATOM 107 CG TYR A 8 -17.844 -1.829 8.912 1.00 0.00 C ATOM 108 CD1 TYR A 8 -16.498 -2.137 8.685 1.00 0.00 C ATOM 109 CD2 TYR A 8 -18.252 -1.354 10.165 1.00 0.00 C ATOM 110 CE1 TYR A 8 -15.560 -1.971 9.710 1.00 0.00 C ATOM 111 CE2 TYR A 8 -17.314 -1.188 11.189 1.00 0.00 C ATOM 112 CZ TYR A 8 -15.967 -1.497 10.962 1.00 0.00 C ATOM 113 OH TYR A 8 -15.042 -1.332 11.972 1.00 0.00 O ATOM 0 H TYR A 8 -16.777 -1.957 6.040 1.00 0.00 H new ATOM 0 HA TYR A 8 -19.539 -0.773 6.174 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -19.864 -1.849 8.199 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -18.820 -3.025 7.426 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -16.183 -2.503 7.719 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -19.291 -1.116 10.340 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -14.521 -2.209 9.535 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -17.628 -0.821 12.155 1.00 0.00 H new ATOM 0 HH TYR A 8 -14.138 -1.356 11.595 1.00 0.00 H new ATOM 123 N ARG A 9 -18.795 1.172 7.693 1.00 0.00 N ATOM 124 CA ARG A 9 -18.265 2.452 8.238 1.00 0.00 C ATOM 125 C ARG A 9 -18.979 2.782 9.548 1.00 0.00 C ATOM 126 O ARG A 9 -20.188 2.706 9.644 1.00 0.00 O ATOM 127 CB ARG A 9 -18.507 3.577 7.230 1.00 0.00 C ATOM 128 CG ARG A 9 -17.489 3.464 6.094 1.00 0.00 C ATOM 129 CD ARG A 9 -17.579 4.705 5.205 1.00 0.00 C ATOM 130 NE ARG A 9 -18.985 4.888 4.744 1.00 0.00 N ATOM 131 CZ ARG A 9 -19.267 5.807 3.861 1.00 0.00 C ATOM 132 NH1 ARG A 9 -18.827 7.025 4.025 1.00 0.00 N ATOM 133 NH2 ARG A 9 -19.987 5.509 2.814 1.00 0.00 N ATOM 0 H ARG A 9 -19.808 1.066 7.744 1.00 0.00 H new ATOM 0 HA ARG A 9 -17.195 2.352 8.421 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -19.520 3.514 6.833 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -18.416 4.546 7.720 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -16.483 3.367 6.501 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -17.682 2.567 5.506 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -17.249 5.585 5.757 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -16.915 4.599 4.347 1.00 0.00 H new ATOM 0 HE ARG A 9 -19.726 4.295 5.118 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -18.263 7.258 4.843 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -19.047 7.744 3.336 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -20.330 4.557 2.685 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -20.207 6.228 2.125 1.00 0.00 H new ATOM 147 N VAL A 10 -18.239 3.144 10.560 1.00 0.00 N ATOM 148 CA VAL A 10 -18.876 3.474 11.866 1.00 0.00 C ATOM 149 C VAL A 10 -18.519 4.906 12.266 1.00 0.00 C ATOM 150 O VAL A 10 -17.421 5.373 12.035 1.00 0.00 O ATOM 151 CB VAL A 10 -18.375 2.504 12.939 1.00 0.00 C ATOM 152 CG1 VAL A 10 -18.880 2.956 14.311 1.00 0.00 C ATOM 153 CG2 VAL A 10 -18.899 1.099 12.640 1.00 0.00 C ATOM 0 H VAL A 10 -17.222 3.225 10.539 1.00 0.00 H new ATOM 0 HA VAL A 10 -19.958 3.385 11.772 1.00 0.00 H new ATOM 0 HB VAL A 10 -17.285 2.493 12.939 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -18.524 2.266 15.075 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -18.507 3.958 14.524 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -19.970 2.967 14.312 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -18.543 0.408 13.404 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -19.989 1.110 12.640 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -18.539 0.777 11.663 1.00 0.00 H new ATOM 163 N LEU A 11 -19.441 5.606 12.868 1.00 0.00 N ATOM 164 CA LEU A 11 -19.166 7.007 13.290 1.00 0.00 C ATOM 165 C LEU A 11 -19.431 7.139 14.792 1.00 0.00 C ATOM 166 O LEU A 11 -19.875 6.207 15.433 1.00 0.00 O ATOM 167 CB LEU A 11 -20.085 7.954 12.517 1.00 0.00 C ATOM 168 CG LEU A 11 -19.252 8.781 11.535 1.00 0.00 C ATOM 169 CD1 LEU A 11 -18.700 7.865 10.441 1.00 0.00 C ATOM 170 CD2 LEU A 11 -20.130 9.861 10.901 1.00 0.00 C ATOM 0 H LEU A 11 -20.377 5.265 13.086 1.00 0.00 H new ATOM 0 HA LEU A 11 -18.127 7.262 13.082 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -20.843 7.385 11.979 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -20.612 8.612 13.208 1.00 0.00 H new ATOM 0 HG LEU A 11 -18.426 9.253 12.067 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -18.106 8.452 9.740 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -18.073 7.096 10.892 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -19.527 7.393 9.910 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -19.535 10.449 10.202 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -20.957 9.391 10.368 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -20.524 10.513 11.680 1.00 0.00 H new ATOM 182 N PRO A 12 -19.156 8.321 15.362 1.00 0.00 N ATOM 183 CA PRO A 12 -19.368 8.577 16.792 1.00 0.00 C ATOM 184 C PRO A 12 -20.855 8.567 17.156 1.00 0.00 C ATOM 185 O PRO A 12 -21.225 8.349 18.293 1.00 0.00 O ATOM 186 CB PRO A 12 -18.786 9.976 16.995 1.00 0.00 C ATOM 187 CG PRO A 12 -18.864 10.608 15.648 1.00 0.00 C ATOM 188 CD PRO A 12 -18.621 9.502 14.663 1.00 0.00 C ATOM 0 HA PRO A 12 -18.905 7.815 17.419 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -19.356 10.541 17.733 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -17.758 9.931 17.354 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -19.839 11.067 15.487 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -18.119 11.397 15.542 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -19.135 9.681 13.719 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -17.561 9.391 14.433 1.00 0.00 H new ATOM 196 N ARG A 13 -21.710 8.798 16.198 1.00 0.00 N ATOM 197 CA ARG A 13 -23.172 8.800 16.487 1.00 0.00 C ATOM 198 C ARG A 13 -23.792 7.490 15.995 1.00 0.00 C ATOM 199 O ARG A 13 -24.783 7.025 16.523 1.00 0.00 O ATOM 200 CB ARG A 13 -23.832 9.977 15.764 1.00 0.00 C ATOM 201 CG ARG A 13 -23.343 11.290 16.376 1.00 0.00 C ATOM 202 CD ARG A 13 -24.027 12.465 15.674 1.00 0.00 C ATOM 203 NE ARG A 13 -23.335 13.734 16.039 1.00 0.00 N ATOM 204 CZ ARG A 13 -22.435 14.239 15.241 1.00 0.00 C ATOM 205 NH1 ARG A 13 -22.718 14.446 13.984 1.00 0.00 N ATOM 206 NH2 ARG A 13 -21.249 14.536 15.701 1.00 0.00 N ATOM 0 H ARG A 13 -21.459 8.986 15.227 1.00 0.00 H new ATOM 0 HA ARG A 13 -23.330 8.896 17.561 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -23.591 9.947 14.701 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -24.917 9.906 15.847 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -23.564 11.311 17.443 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -22.261 11.371 16.273 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -24.001 12.322 14.594 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -25.077 12.514 15.964 1.00 0.00 H new ATOM 0 HE ARG A 13 -23.565 14.207 16.913 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -23.644 14.213 13.625 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -22.014 14.841 13.361 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -21.027 14.373 16.683 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -20.545 14.931 15.078 1.00 0.00 H new ATOM 220 N ILE A 14 -23.219 6.896 14.985 1.00 0.00 N ATOM 221 CA ILE A 14 -23.778 5.619 14.454 1.00 0.00 C ATOM 222 C ILE A 14 -23.276 4.444 15.297 1.00 0.00 C ATOM 223 O ILE A 14 -24.036 3.578 15.685 1.00 0.00 O ATOM 224 CB ILE A 14 -23.329 5.436 13.002 1.00 0.00 C ATOM 225 CG1 ILE A 14 -23.900 6.569 12.146 1.00 0.00 C ATOM 226 CG2 ILE A 14 -23.836 4.093 12.474 1.00 0.00 C ATOM 227 CD1 ILE A 14 -23.220 6.568 10.776 1.00 0.00 C ATOM 0 H ILE A 14 -22.388 7.239 14.504 1.00 0.00 H new ATOM 0 HA ILE A 14 -24.867 5.653 14.500 1.00 0.00 H new ATOM 0 HB ILE A 14 -22.240 5.456 12.954 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -24.976 6.443 12.029 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -23.743 7.527 12.641 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -23.516 3.964 11.440 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -23.430 3.286 13.083 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -24.925 4.071 12.522 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -23.627 7.375 10.167 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -22.147 6.714 10.902 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -23.400 5.614 10.281 1.00 0.00 H new ATOM 239 N GLY A 15 -22.003 4.404 15.584 1.00 0.00 N ATOM 240 CA GLY A 15 -21.459 3.280 16.400 1.00 0.00 C ATOM 241 C GLY A 15 -21.357 2.024 15.531 1.00 0.00 C ATOM 242 O GLY A 15 -21.521 2.078 14.327 1.00 0.00 O ATOM 0 H GLY A 15 -21.317 5.099 15.290 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -20.477 3.544 16.794 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -22.106 3.091 17.257 1.00 0.00 H new ATOM 246 N TYR A 16 -21.090 0.894 16.126 1.00 0.00 N ATOM 247 CA TYR A 16 -20.982 -0.358 15.325 1.00 0.00 C ATOM 248 C TYR A 16 -22.352 -1.034 15.250 1.00 0.00 C ATOM 249 O TYR A 16 -23.170 -0.903 16.139 1.00 0.00 O ATOM 250 CB TYR A 16 -19.978 -1.309 15.981 1.00 0.00 C ATOM 251 CG TYR A 16 -19.258 -2.089 14.908 1.00 0.00 C ATOM 252 CD1 TYR A 16 -19.949 -3.049 14.158 1.00 0.00 C ATOM 253 CD2 TYR A 16 -17.902 -1.850 14.657 1.00 0.00 C ATOM 254 CE1 TYR A 16 -19.283 -3.770 13.159 1.00 0.00 C ATOM 255 CE2 TYR A 16 -17.237 -2.569 13.657 1.00 0.00 C ATOM 256 CZ TYR A 16 -17.927 -3.529 12.908 1.00 0.00 C ATOM 257 OH TYR A 16 -17.273 -4.235 11.921 1.00 0.00 O ATOM 0 H TYR A 16 -20.942 0.783 17.129 1.00 0.00 H new ATOM 0 HA TYR A 16 -20.640 -0.113 14.319 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -19.262 -0.745 16.579 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -20.493 -1.990 16.658 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -20.996 -3.233 14.350 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -17.368 -1.110 15.235 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -19.815 -4.512 12.582 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -16.191 -2.383 13.463 1.00 0.00 H new ATOM 0 HH TYR A 16 -16.372 -3.870 11.800 1.00 0.00 H new ATOM 267 N LEU A 17 -22.609 -1.755 14.195 1.00 0.00 N ATOM 268 CA LEU A 17 -23.927 -2.435 14.063 1.00 0.00 C ATOM 269 C LEU A 17 -23.719 -3.947 13.950 1.00 0.00 C ATOM 270 O LEU A 17 -22.982 -4.423 13.110 1.00 0.00 O ATOM 271 CB LEU A 17 -24.639 -1.924 12.810 1.00 0.00 C ATOM 272 CG LEU A 17 -25.173 -0.512 13.067 1.00 0.00 C ATOM 273 CD1 LEU A 17 -25.886 -0.002 11.815 1.00 0.00 C ATOM 274 CD2 LEU A 17 -26.158 -0.544 14.238 1.00 0.00 C ATOM 0 H LEU A 17 -21.964 -1.903 13.419 1.00 0.00 H new ATOM 0 HA LEU A 17 -24.534 -2.220 14.942 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -23.950 -1.916 11.965 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -25.459 -2.592 12.546 1.00 0.00 H new ATOM 0 HG LEU A 17 -24.343 0.152 13.309 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -26.267 1.003 11.997 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -25.185 0.021 10.981 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -26.716 -0.666 11.573 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -26.538 0.461 14.421 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -26.988 -1.208 13.997 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -25.650 -0.908 15.131 1.00 0.00 H new ATOM 286 N CYS A 18 -24.368 -4.705 14.791 1.00 0.00 N ATOM 287 CA CYS A 18 -24.218 -6.186 14.738 1.00 0.00 C ATOM 288 C CYS A 18 -25.590 -6.834 14.929 1.00 0.00 C ATOM 289 O CYS A 18 -26.484 -6.254 15.513 1.00 0.00 O ATOM 290 CB CYS A 18 -23.275 -6.648 15.851 1.00 0.00 C ATOM 291 SG CYS A 18 -21.684 -5.803 15.677 1.00 0.00 S ATOM 0 H CYS A 18 -24.998 -4.360 15.515 1.00 0.00 H new ATOM 0 HA CYS A 18 -23.803 -6.478 13.773 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -23.711 -6.430 16.826 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -23.134 -7.728 15.799 1.00 0.00 H new ATOM 296 N PRO A 19 -25.755 -8.064 14.426 1.00 0.00 N ATOM 297 CA PRO A 19 -27.017 -8.800 14.539 1.00 0.00 C ATOM 298 C PRO A 19 -27.288 -9.238 15.979 1.00 0.00 C ATOM 299 O PRO A 19 -26.411 -9.217 16.819 1.00 0.00 O ATOM 300 CB PRO A 19 -26.802 -10.022 13.648 1.00 0.00 C ATOM 301 CG PRO A 19 -25.322 -10.207 13.611 1.00 0.00 C ATOM 302 CD PRO A 19 -24.722 -8.831 13.711 1.00 0.00 C ATOM 0 HA PRO A 19 -27.874 -8.193 14.247 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -27.301 -10.902 14.055 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -27.206 -9.860 12.649 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -24.988 -10.838 14.435 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -25.015 -10.699 12.688 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -23.779 -8.842 14.257 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -24.516 -8.409 12.727 1.00 0.00 H new ATOM 310 N LYS A 20 -28.496 -9.631 16.270 1.00 0.00 N ATOM 311 CA LYS A 20 -28.821 -10.065 17.657 1.00 0.00 C ATOM 312 C LYS A 20 -28.426 -11.531 17.837 1.00 0.00 C ATOM 313 O LYS A 20 -28.220 -11.999 18.938 1.00 0.00 O ATOM 314 CB LYS A 20 -30.321 -9.901 17.906 1.00 0.00 C ATOM 315 CG LYS A 20 -30.709 -8.435 17.703 1.00 0.00 C ATOM 316 CD LYS A 20 -32.198 -8.253 18.005 1.00 0.00 C ATOM 317 CE LYS A 20 -32.601 -6.804 17.725 1.00 0.00 C ATOM 318 NZ LYS A 20 -33.849 -6.482 18.473 1.00 0.00 N ATOM 0 H LYS A 20 -29.272 -9.671 15.609 1.00 0.00 H new ATOM 0 HA LYS A 20 -28.269 -9.452 18.369 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -30.886 -10.537 17.224 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -30.570 -10.218 18.919 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -30.114 -7.797 18.356 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -30.495 -8.130 16.679 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -32.790 -8.932 17.391 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -32.402 -8.504 19.046 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -31.800 -6.128 18.025 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -32.757 -6.659 16.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -34.123 -5.497 18.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -34.612 -7.119 18.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -33.684 -6.605 19.492 1.00 0.00 H new ATOM 332 N ASP A 21 -28.314 -12.259 16.760 1.00 0.00 N ATOM 333 CA ASP A 21 -27.927 -13.692 16.868 1.00 0.00 C ATOM 334 C ASP A 21 -26.496 -13.788 17.401 1.00 0.00 C ATOM 335 O ASP A 21 -25.574 -13.241 16.829 1.00 0.00 O ATOM 336 CB ASP A 21 -28.002 -14.346 15.487 1.00 0.00 C ATOM 337 CG ASP A 21 -29.427 -14.230 14.944 1.00 0.00 C ATOM 338 OD1 ASP A 21 -30.301 -13.850 15.706 1.00 0.00 O ATOM 339 OD2 ASP A 21 -29.622 -14.522 13.775 1.00 0.00 O ATOM 0 H ASP A 21 -28.474 -11.923 15.810 1.00 0.00 H new ATOM 0 HA ASP A 21 -28.607 -14.205 17.548 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -27.302 -13.863 14.806 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -27.711 -15.394 15.553 1.00 0.00 H new ATOM 344 N LEU A 22 -26.301 -14.476 18.493 1.00 0.00 N ATOM 345 CA LEU A 22 -24.928 -14.598 19.059 1.00 0.00 C ATOM 346 C LEU A 22 -24.239 -15.824 18.457 1.00 0.00 C ATOM 347 O LEU A 22 -24.573 -16.951 18.765 1.00 0.00 O ATOM 348 CB LEU A 22 -25.014 -14.749 20.583 1.00 0.00 C ATOM 349 CG LEU A 22 -23.610 -14.674 21.200 1.00 0.00 C ATOM 350 CD1 LEU A 22 -22.878 -15.999 20.983 1.00 0.00 C ATOM 351 CD2 LEU A 22 -22.815 -13.541 20.547 1.00 0.00 C ATOM 0 H LEU A 22 -27.032 -14.958 19.017 1.00 0.00 H new ATOM 0 HA LEU A 22 -24.352 -13.704 18.818 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -25.645 -13.964 20.999 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -25.481 -15.701 20.836 1.00 0.00 H new ATOM 0 HG LEU A 22 -23.702 -14.481 22.269 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -21.882 -15.941 21.423 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -23.437 -16.806 21.457 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -22.792 -16.196 19.914 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -21.820 -13.493 20.989 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -22.728 -13.728 19.477 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -23.330 -12.594 20.710 1.00 0.00 H new ATOM 363 N LYS A 23 -23.278 -15.610 17.600 1.00 0.00 N ATOM 364 CA LYS A 23 -22.565 -16.762 16.978 1.00 0.00 C ATOM 365 C LYS A 23 -21.091 -16.717 17.383 1.00 0.00 C ATOM 366 O LYS A 23 -20.328 -15.913 16.885 1.00 0.00 O ATOM 367 CB LYS A 23 -22.682 -16.680 15.455 1.00 0.00 C ATOM 368 CG LYS A 23 -24.048 -17.214 15.023 1.00 0.00 C ATOM 369 CD LYS A 23 -24.351 -16.748 13.597 1.00 0.00 C ATOM 370 CE LYS A 23 -23.513 -17.561 12.607 1.00 0.00 C ATOM 371 NZ LYS A 23 -22.496 -16.675 11.972 1.00 0.00 N ATOM 0 H LYS A 23 -22.956 -14.689 17.304 1.00 0.00 H new ATOM 0 HA LYS A 23 -23.011 -17.696 17.320 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -22.561 -15.648 15.125 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -21.887 -17.260 14.986 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -24.056 -18.303 15.070 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -24.821 -16.859 15.705 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -25.412 -16.872 13.380 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -24.127 -15.686 13.494 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -23.021 -18.386 13.122 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -24.156 -18.000 11.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -21.926 -17.227 11.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -22.975 -15.902 11.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -21.876 -16.277 12.706 1.00 0.00 H new ATOM 385 N PRO A 24 -20.691 -17.599 18.312 1.00 0.00 N ATOM 386 CA PRO A 24 -19.309 -17.667 18.812 1.00 0.00 C ATOM 387 C PRO A 24 -18.312 -18.057 17.723 1.00 0.00 C ATOM 388 O PRO A 24 -18.400 -19.114 17.134 1.00 0.00 O ATOM 389 CB PRO A 24 -19.374 -18.755 19.887 1.00 0.00 C ATOM 390 CG PRO A 24 -20.548 -19.584 19.497 1.00 0.00 C ATOM 391 CD PRO A 24 -21.550 -18.614 18.942 1.00 0.00 C ATOM 0 HA PRO A 24 -18.964 -16.701 19.180 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -18.459 -19.347 19.911 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -19.502 -18.326 20.881 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -20.272 -20.332 18.754 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -20.953 -20.121 20.355 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -22.217 -19.087 18.221 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -22.178 -18.186 19.724 1.00 0.00 H new ATOM 399 N VAL A 25 -17.360 -17.207 17.453 1.00 0.00 N ATOM 400 CA VAL A 25 -16.348 -17.524 16.407 1.00 0.00 C ATOM 401 C VAL A 25 -14.961 -17.602 17.048 1.00 0.00 C ATOM 402 O VAL A 25 -14.704 -16.993 18.066 1.00 0.00 O ATOM 403 CB VAL A 25 -16.343 -16.427 15.344 1.00 0.00 C ATOM 404 CG1 VAL A 25 -17.733 -16.316 14.714 1.00 0.00 C ATOM 405 CG2 VAL A 25 -15.967 -15.096 15.996 1.00 0.00 C ATOM 0 H VAL A 25 -17.239 -16.305 17.913 1.00 0.00 H new ATOM 0 HA VAL A 25 -16.598 -18.479 15.945 1.00 0.00 H new ATOM 0 HB VAL A 25 -15.617 -16.672 14.569 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -17.727 -15.533 13.956 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -18.000 -17.266 14.252 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -18.463 -16.070 15.485 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.962 -14.310 15.241 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -16.695 -14.852 16.770 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -14.976 -15.177 16.442 1.00 0.00 H new ATOM 415 N CYS A 26 -14.064 -18.339 16.454 1.00 0.00 N ATOM 416 CA CYS A 26 -12.691 -18.448 17.026 1.00 0.00 C ATOM 417 C CYS A 26 -11.759 -17.492 16.276 1.00 0.00 C ATOM 418 O CYS A 26 -11.564 -17.615 15.087 1.00 0.00 O ATOM 419 CB CYS A 26 -12.184 -19.884 16.875 1.00 0.00 C ATOM 420 SG CYS A 26 -10.501 -20.002 17.528 1.00 0.00 S ATOM 0 H CYS A 26 -14.221 -18.871 15.598 1.00 0.00 H new ATOM 0 HA CYS A 26 -12.712 -18.186 18.084 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -12.841 -20.571 17.408 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.200 -20.178 15.825 1.00 0.00 H new ATOM 425 N GLY A 27 -11.192 -16.536 16.960 1.00 0.00 N ATOM 426 CA GLY A 27 -10.284 -15.565 16.282 1.00 0.00 C ATOM 427 C GLY A 27 -8.958 -16.242 15.926 1.00 0.00 C ATOM 428 O GLY A 27 -8.433 -17.041 16.676 1.00 0.00 O ATOM 0 H GLY A 27 -11.318 -16.385 17.961 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.759 -15.181 15.379 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.101 -14.711 16.934 1.00 0.00 H new ATOM 432 N ASP A 28 -8.410 -15.921 14.783 1.00 0.00 N ATOM 433 CA ASP A 28 -7.114 -16.537 14.372 1.00 0.00 C ATOM 434 C ASP A 28 -5.991 -15.997 15.257 1.00 0.00 C ATOM 435 O ASP A 28 -4.885 -16.501 15.251 1.00 0.00 O ATOM 436 CB ASP A 28 -6.824 -16.188 12.911 1.00 0.00 C ATOM 437 CG ASP A 28 -6.743 -14.668 12.755 1.00 0.00 C ATOM 438 OD1 ASP A 28 -6.778 -13.986 13.766 1.00 0.00 O ATOM 439 OD2 ASP A 28 -6.646 -14.212 11.627 1.00 0.00 O ATOM 0 H ASP A 28 -8.805 -15.258 14.116 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.175 -17.620 14.482 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.887 -16.647 12.596 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.608 -16.589 12.268 1.00 0.00 H new ATOM 444 N ASP A 29 -6.265 -14.977 16.023 1.00 0.00 N ATOM 445 CA ASP A 29 -5.213 -14.410 16.911 1.00 0.00 C ATOM 446 C ASP A 29 -5.152 -15.223 18.205 1.00 0.00 C ATOM 447 O ASP A 29 -4.489 -14.852 19.152 1.00 0.00 O ATOM 448 CB ASP A 29 -5.549 -12.953 17.235 1.00 0.00 C ATOM 449 CG ASP A 29 -5.425 -12.108 15.965 1.00 0.00 C ATOM 450 OD1 ASP A 29 -4.895 -12.614 14.990 1.00 0.00 O ATOM 451 OD2 ASP A 29 -5.862 -10.969 15.990 1.00 0.00 O ATOM 0 H ASP A 29 -7.172 -14.512 16.072 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.247 -14.454 16.408 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.560 -12.882 17.635 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.875 -12.575 18.004 1.00 0.00 H new ATOM 456 N GLY A 30 -5.843 -16.332 18.254 1.00 0.00 N ATOM 457 CA GLY A 30 -5.825 -17.165 19.487 1.00 0.00 C ATOM 458 C GLY A 30 -6.898 -16.661 20.451 1.00 0.00 C ATOM 459 O GLY A 30 -6.919 -17.012 21.613 1.00 0.00 O ATOM 0 H GLY A 30 -6.418 -16.694 17.493 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.006 -18.210 19.237 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.844 -17.116 19.959 1.00 0.00 H new ATOM 463 N GLN A 31 -7.792 -15.837 19.975 1.00 0.00 N ATOM 464 CA GLN A 31 -8.864 -15.310 20.862 1.00 0.00 C ATOM 465 C GLN A 31 -10.228 -15.753 20.332 1.00 0.00 C ATOM 466 O GLN A 31 -10.340 -16.287 19.246 1.00 0.00 O ATOM 467 CB GLN A 31 -8.798 -13.781 20.888 1.00 0.00 C ATOM 468 CG GLN A 31 -7.506 -13.339 21.576 1.00 0.00 C ATOM 469 CD GLN A 31 -7.366 -11.819 21.467 1.00 0.00 C ATOM 470 OE1 GLN A 31 -8.125 -11.175 20.771 1.00 0.00 O ATOM 471 NE2 GLN A 31 -6.418 -11.214 22.131 1.00 0.00 N ATOM 0 H GLN A 31 -7.825 -15.507 19.010 1.00 0.00 H new ATOM 0 HA GLN A 31 -8.724 -15.697 21.871 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.835 -13.387 19.872 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.661 -13.378 21.418 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.518 -13.640 22.624 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.649 -13.828 21.113 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.780 -11.754 22.716 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.315 -10.201 22.065 1.00 0.00 H new ATOM 480 N THR A 32 -11.265 -15.534 21.090 1.00 0.00 N ATOM 481 CA THR A 32 -12.623 -15.942 20.634 1.00 0.00 C ATOM 482 C THR A 32 -13.582 -14.760 20.779 1.00 0.00 C ATOM 483 O THR A 32 -13.549 -14.038 21.755 1.00 0.00 O ATOM 484 CB THR A 32 -13.122 -17.105 21.493 1.00 0.00 C ATOM 485 OG1 THR A 32 -12.285 -18.234 21.292 1.00 0.00 O ATOM 486 CG2 THR A 32 -14.556 -17.451 21.095 1.00 0.00 C ATOM 0 H THR A 32 -11.231 -15.089 22.007 1.00 0.00 H new ATOM 0 HA THR A 32 -12.578 -16.253 19.590 1.00 0.00 H new ATOM 0 HB THR A 32 -13.097 -16.820 22.545 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.742 -18.100 20.487 1.00 0.00 H new ATOM 0 HG21 THR A 32 -14.913 -18.280 21.706 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.196 -16.583 21.251 1.00 0.00 H new ATOM 0 HG23 THR A 32 -14.583 -17.738 20.044 1.00 0.00 H new ATOM 494 N TYR A 33 -14.440 -14.561 19.818 1.00 0.00 N ATOM 495 CA TYR A 33 -15.405 -13.430 19.907 1.00 0.00 C ATOM 496 C TYR A 33 -16.827 -13.991 19.917 1.00 0.00 C ATOM 497 O TYR A 33 -17.234 -14.692 19.012 1.00 0.00 O ATOM 498 CB TYR A 33 -15.219 -12.505 18.704 1.00 0.00 C ATOM 499 CG TYR A 33 -13.795 -12.004 18.682 1.00 0.00 C ATOM 500 CD1 TYR A 33 -12.756 -12.869 18.318 1.00 0.00 C ATOM 501 CD2 TYR A 33 -13.511 -10.677 19.030 1.00 0.00 C ATOM 502 CE1 TYR A 33 -11.434 -12.409 18.301 1.00 0.00 C ATOM 503 CE2 TYR A 33 -12.188 -10.218 19.013 1.00 0.00 C ATOM 504 CZ TYR A 33 -11.150 -11.083 18.649 1.00 0.00 C ATOM 505 OH TYR A 33 -9.847 -10.630 18.634 1.00 0.00 O ATOM 0 H TYR A 33 -14.515 -15.132 18.976 1.00 0.00 H new ATOM 0 HA TYR A 33 -15.230 -12.863 20.821 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -15.444 -13.039 17.781 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -15.912 -11.666 18.764 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -12.975 -13.892 18.050 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -14.311 -10.009 19.311 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -10.633 -13.077 18.019 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -11.969 -9.195 19.281 1.00 0.00 H new ATOM 0 HH TYR A 33 -9.403 -10.883 19.470 1.00 0.00 H new ATOM 515 N ASN A 34 -17.581 -13.697 20.939 1.00 0.00 N ATOM 516 CA ASN A 34 -18.972 -14.229 21.008 1.00 0.00 C ATOM 517 C ASN A 34 -19.677 -13.994 19.671 1.00 0.00 C ATOM 518 O ASN A 34 -19.813 -14.891 18.871 1.00 0.00 O ATOM 519 CB ASN A 34 -19.751 -13.539 22.135 1.00 0.00 C ATOM 520 CG ASN A 34 -18.827 -13.291 23.327 1.00 0.00 C ATOM 521 OD1 ASN A 34 -17.888 -14.028 23.549 1.00 0.00 O ATOM 522 ND2 ASN A 34 -19.059 -12.273 24.107 1.00 0.00 N ATOM 0 H ASN A 34 -17.297 -13.114 21.726 1.00 0.00 H new ATOM 0 HA ASN A 34 -18.932 -15.298 21.215 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -20.162 -12.594 21.780 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -20.594 -14.159 22.440 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -18.451 -12.094 24.906 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -19.849 -11.655 23.918 1.00 0.00 H new ATOM 529 N ASN A 35 -20.132 -12.801 19.424 1.00 0.00 N ATOM 530 CA ASN A 35 -20.832 -12.526 18.137 1.00 0.00 C ATOM 531 C ASN A 35 -19.803 -12.262 17.033 1.00 0.00 C ATOM 532 O ASN A 35 -18.753 -11.702 17.276 1.00 0.00 O ATOM 533 CB ASN A 35 -21.742 -11.309 18.321 1.00 0.00 C ATOM 534 CG ASN A 35 -22.318 -10.873 16.975 1.00 0.00 C ATOM 535 OD1 ASN A 35 -21.587 -10.579 16.053 1.00 0.00 O ATOM 536 ND2 ASN A 35 -23.614 -10.817 16.827 1.00 0.00 N ATOM 0 H ASN A 35 -20.051 -12.004 20.055 1.00 0.00 H new ATOM 0 HA ASN A 35 -21.434 -13.388 17.848 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -22.551 -11.552 19.010 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -21.179 -10.489 18.767 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -24.013 -10.526 15.935 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -24.227 -11.065 17.604 1.00 0.00 H new ATOM 543 N PRO A 36 -20.119 -12.671 15.792 1.00 0.00 N ATOM 544 CA PRO A 36 -19.226 -12.477 14.640 1.00 0.00 C ATOM 545 C PRO A 36 -19.007 -10.993 14.340 1.00 0.00 C ATOM 546 O PRO A 36 -17.887 -10.533 14.243 1.00 0.00 O ATOM 547 CB PRO A 36 -19.974 -13.158 13.491 1.00 0.00 C ATOM 548 CG PRO A 36 -21.400 -13.135 13.920 1.00 0.00 C ATOM 549 CD PRO A 36 -21.367 -13.350 15.405 1.00 0.00 C ATOM 0 HA PRO A 36 -18.231 -12.888 14.810 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -19.832 -12.624 12.551 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -19.621 -14.177 13.335 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -21.871 -12.184 13.670 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -21.974 -13.916 13.422 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -22.236 -12.915 15.898 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -21.351 -14.409 15.662 1.00 0.00 H new ATOM 557 N CYS A 37 -20.060 -10.232 14.213 1.00 0.00 N ATOM 558 CA CYS A 37 -19.881 -8.780 13.947 1.00 0.00 C ATOM 559 C CYS A 37 -19.145 -8.170 15.138 1.00 0.00 C ATOM 560 O CYS A 37 -18.457 -7.176 15.020 1.00 0.00 O ATOM 561 CB CYS A 37 -21.249 -8.114 13.779 1.00 0.00 C ATOM 562 SG CYS A 37 -21.059 -6.314 13.827 1.00 0.00 S ATOM 0 H CYS A 37 -21.027 -10.550 14.281 1.00 0.00 H new ATOM 0 HA CYS A 37 -19.308 -8.627 13.033 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -21.698 -8.417 12.833 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -21.923 -8.440 14.571 1.00 0.00 H new ATOM 567 N MET A 38 -19.279 -8.777 16.287 1.00 0.00 N ATOM 568 CA MET A 38 -18.584 -8.259 17.496 1.00 0.00 C ATOM 569 C MET A 38 -17.074 -8.438 17.316 1.00 0.00 C ATOM 570 O MET A 38 -16.280 -7.818 17.995 1.00 0.00 O ATOM 571 CB MET A 38 -19.056 -9.039 18.727 1.00 0.00 C ATOM 572 CG MET A 38 -20.267 -8.334 19.343 1.00 0.00 C ATOM 573 SD MET A 38 -19.769 -6.709 19.963 1.00 0.00 S ATOM 574 CE MET A 38 -18.686 -7.293 21.290 1.00 0.00 C ATOM 0 H MET A 38 -19.843 -9.613 16.438 1.00 0.00 H new ATOM 0 HA MET A 38 -18.813 -7.202 17.633 1.00 0.00 H new ATOM 0 HB2 MET A 38 -19.319 -10.059 18.446 1.00 0.00 H new ATOM 0 HB3 MET A 38 -18.251 -9.108 19.458 1.00 0.00 H new ATOM 0 HG2 MET A 38 -21.055 -8.225 18.598 1.00 0.00 H new ATOM 0 HG3 MET A 38 -20.677 -8.935 20.155 1.00 0.00 H new ATOM 0 HE1 MET A 38 -18.632 -6.538 22.074 1.00 0.00 H new ATOM 0 HE2 MET A 38 -19.085 -8.219 21.705 1.00 0.00 H new ATOM 0 HE3 MET A 38 -17.688 -7.475 20.892 1.00 0.00 H new ATOM 584 N LEU A 39 -16.672 -9.274 16.395 1.00 0.00 N ATOM 585 CA LEU A 39 -15.216 -9.481 16.160 1.00 0.00 C ATOM 586 C LEU A 39 -14.651 -8.217 15.523 1.00 0.00 C ATOM 587 O LEU A 39 -13.782 -7.567 16.069 1.00 0.00 O ATOM 588 CB LEU A 39 -15.013 -10.672 15.218 1.00 0.00 C ATOM 589 CG LEU A 39 -13.542 -10.754 14.794 1.00 0.00 C ATOM 590 CD1 LEU A 39 -12.738 -11.471 15.880 1.00 0.00 C ATOM 591 CD2 LEU A 39 -13.429 -11.533 13.481 1.00 0.00 C ATOM 0 H LEU A 39 -17.290 -9.821 15.796 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.706 -9.686 17.101 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -15.310 -11.595 15.715 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.649 -10.565 14.339 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.150 -9.747 14.654 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.692 -11.530 15.579 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.816 -10.917 16.816 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.132 -12.477 16.020 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.383 -11.590 13.181 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -13.822 -12.540 13.620 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -14.001 -11.024 12.706 1.00 0.00 H new ATOM 603 N CYS A 40 -15.156 -7.850 14.381 1.00 0.00 N ATOM 604 CA CYS A 40 -14.665 -6.611 13.723 1.00 0.00 C ATOM 605 C CYS A 40 -14.787 -5.464 14.722 1.00 0.00 C ATOM 606 O CYS A 40 -14.065 -4.489 14.664 1.00 0.00 O ATOM 607 CB CYS A 40 -15.511 -6.318 12.489 1.00 0.00 C ATOM 608 SG CYS A 40 -14.691 -5.050 11.502 1.00 0.00 S ATOM 0 H CYS A 40 -15.886 -8.353 13.876 1.00 0.00 H new ATOM 0 HA CYS A 40 -13.627 -6.730 13.413 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -15.645 -7.225 11.900 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -16.504 -5.981 12.785 1.00 0.00 H new ATOM 613 N HIS A 41 -15.693 -5.588 15.656 1.00 0.00 N ATOM 614 CA HIS A 41 -15.862 -4.523 16.681 1.00 0.00 C ATOM 615 C HIS A 41 -14.593 -4.459 17.527 1.00 0.00 C ATOM 616 O HIS A 41 -13.896 -3.465 17.546 1.00 0.00 O ATOM 617 CB HIS A 41 -17.056 -4.863 17.573 1.00 0.00 C ATOM 618 CG HIS A 41 -17.401 -3.675 18.428 1.00 0.00 C ATOM 619 ND1 HIS A 41 -17.894 -2.496 17.892 1.00 0.00 N ATOM 620 CD2 HIS A 41 -17.329 -3.468 19.783 1.00 0.00 C ATOM 621 CE1 HIS A 41 -18.098 -1.641 18.910 1.00 0.00 C ATOM 622 NE2 HIS A 41 -17.770 -2.184 20.086 1.00 0.00 N ATOM 0 H HIS A 41 -16.324 -6.384 15.751 1.00 0.00 H new ATOM 0 HA HIS A 41 -16.038 -3.561 16.199 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -17.913 -5.144 16.960 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -16.820 -5.721 18.203 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -18.070 -2.310 16.905 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -16.982 -4.193 20.505 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -18.480 -0.638 18.791 1.00 0.00 H new ATOM 630 N GLU A 42 -14.277 -5.523 18.214 1.00 0.00 N ATOM 631 CA GLU A 42 -13.040 -5.525 19.038 1.00 0.00 C ATOM 632 C GLU A 42 -11.856 -5.222 18.122 1.00 0.00 C ATOM 633 O GLU A 42 -10.798 -4.817 18.562 1.00 0.00 O ATOM 634 CB GLU A 42 -12.857 -6.900 19.682 1.00 0.00 C ATOM 635 CG GLU A 42 -13.972 -7.140 20.702 1.00 0.00 C ATOM 636 CD GLU A 42 -13.679 -8.419 21.489 1.00 0.00 C ATOM 637 OE1 GLU A 42 -12.565 -8.909 21.393 1.00 0.00 O ATOM 638 OE2 GLU A 42 -14.572 -8.887 22.176 1.00 0.00 O ATOM 0 H GLU A 42 -14.820 -6.386 18.239 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.107 -4.774 19.825 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -12.876 -7.677 18.917 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.884 -6.958 20.171 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -14.046 -6.291 21.382 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -14.932 -7.226 20.193 1.00 0.00 H new ATOM 645 N ASN A 43 -12.037 -5.409 16.841 1.00 0.00 N ATOM 646 CA ASN A 43 -10.939 -5.125 15.877 1.00 0.00 C ATOM 647 C ASN A 43 -10.884 -3.620 15.623 1.00 0.00 C ATOM 648 O ASN A 43 -9.853 -3.070 15.293 1.00 0.00 O ATOM 649 CB ASN A 43 -11.213 -5.854 14.560 1.00 0.00 C ATOM 650 CG ASN A 43 -11.022 -7.358 14.759 1.00 0.00 C ATOM 651 OD1 ASN A 43 -10.338 -7.782 15.669 1.00 0.00 O ATOM 652 ND2 ASN A 43 -11.601 -8.190 13.936 1.00 0.00 N ATOM 0 H ASN A 43 -12.903 -5.748 16.421 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.989 -5.468 16.286 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.229 -5.647 14.222 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.539 -5.491 13.784 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.479 -9.195 14.057 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.175 -7.835 13.172 1.00 0.00 H new ATOM 659 N LEU A 44 -11.991 -2.950 15.781 1.00 0.00 N ATOM 660 CA LEU A 44 -12.014 -1.479 15.561 1.00 0.00 C ATOM 661 C LEU A 44 -11.296 -0.793 16.723 1.00 0.00 C ATOM 662 O LEU A 44 -10.676 0.239 16.566 1.00 0.00 O ATOM 663 CB LEU A 44 -13.465 -0.999 15.497 1.00 0.00 C ATOM 664 CG LEU A 44 -13.498 0.492 15.156 1.00 0.00 C ATOM 665 CD1 LEU A 44 -13.003 0.699 13.723 1.00 0.00 C ATOM 666 CD2 LEU A 44 -14.932 1.010 15.281 1.00 0.00 C ATOM 0 H LEU A 44 -12.884 -3.360 16.054 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.513 -1.234 14.624 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -14.013 -1.566 14.745 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -13.959 -1.175 16.452 1.00 0.00 H new ATOM 0 HG LEU A 44 -12.853 1.038 15.844 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -13.026 1.761 13.480 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -11.982 0.329 13.634 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.648 0.155 13.033 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -14.958 2.072 15.038 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -15.577 0.465 14.592 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -15.284 0.862 16.302 1.00 0.00 H new ATOM 678 N ILE A 45 -11.371 -1.369 17.892 1.00 0.00 N ATOM 679 CA ILE A 45 -10.690 -0.764 19.070 1.00 0.00 C ATOM 680 C ILE A 45 -9.205 -1.123 19.028 1.00 0.00 C ATOM 681 O ILE A 45 -8.345 -0.273 19.158 1.00 0.00 O ATOM 682 CB ILE A 45 -11.313 -1.313 20.355 1.00 0.00 C ATOM 683 CG1 ILE A 45 -12.832 -1.393 20.192 1.00 0.00 C ATOM 684 CG2 ILE A 45 -10.975 -0.386 21.524 1.00 0.00 C ATOM 685 CD1 ILE A 45 -13.368 -0.035 19.734 1.00 0.00 C ATOM 0 H ILE A 45 -11.876 -2.235 18.081 1.00 0.00 H new ATOM 0 HA ILE A 45 -10.806 0.320 19.047 1.00 0.00 H new ATOM 0 HB ILE A 45 -10.915 -2.308 20.554 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -13.090 -2.162 19.464 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -13.295 -1.679 21.136 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -11.419 -0.778 22.439 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.893 -0.328 21.642 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.372 0.610 21.325 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -14.450 -0.091 19.618 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -13.122 0.723 20.478 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -12.914 0.232 18.780 1.00 0.00 H new ATOM 697 N ARG A 46 -8.896 -2.377 18.844 1.00 0.00 N ATOM 698 CA ARG A 46 -7.466 -2.795 18.789 1.00 0.00 C ATOM 699 C ARG A 46 -6.911 -2.511 17.392 1.00 0.00 C ATOM 700 O ARG A 46 -5.754 -2.175 17.229 1.00 0.00 O ATOM 701 CB ARG A 46 -7.358 -4.293 19.080 1.00 0.00 C ATOM 702 CG ARG A 46 -7.780 -4.570 20.524 1.00 0.00 C ATOM 703 CD ARG A 46 -7.512 -6.040 20.853 1.00 0.00 C ATOM 704 NE ARG A 46 -8.051 -6.357 22.206 1.00 0.00 N ATOM 705 CZ ARG A 46 -7.665 -5.665 23.243 1.00 0.00 C ATOM 706 NH1 ARG A 46 -6.810 -6.175 24.087 1.00 0.00 N ATOM 707 NH2 ARG A 46 -8.134 -4.462 23.436 1.00 0.00 N ATOM 0 H ARG A 46 -9.573 -3.132 18.729 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.896 -2.239 19.533 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.991 -4.853 18.392 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.335 -4.632 18.919 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.227 -3.925 21.207 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.838 -4.342 20.657 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.979 -6.681 20.105 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.441 -6.241 20.821 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.723 -7.116 22.322 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.443 -7.115 23.936 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.509 -5.634 24.897 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.802 -4.063 22.776 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.832 -3.921 24.246 1.00 0.00 H new ATOM 721 N GLN A 47 -7.728 -2.650 16.387 1.00 0.00 N ATOM 722 CA GLN A 47 -7.257 -2.393 14.997 1.00 0.00 C ATOM 723 C GLN A 47 -6.156 -3.393 14.638 1.00 0.00 C ATOM 724 O GLN A 47 -5.180 -3.053 13.998 1.00 0.00 O ATOM 725 CB GLN A 47 -6.707 -0.969 14.898 1.00 0.00 C ATOM 726 CG GLN A 47 -7.827 0.030 15.194 1.00 0.00 C ATOM 727 CD GLN A 47 -7.277 1.456 15.100 1.00 0.00 C ATOM 728 OE1 GLN A 47 -6.079 1.659 15.110 1.00 0.00 O ATOM 729 NE2 GLN A 47 -8.109 2.457 15.009 1.00 0.00 N ATOM 0 H GLN A 47 -8.705 -2.931 16.468 1.00 0.00 H new ATOM 0 HA GLN A 47 -8.091 -2.508 14.305 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -5.888 -0.834 15.604 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -6.301 -0.793 13.902 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -8.644 -0.103 14.485 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -8.235 -0.149 16.189 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -9.114 2.285 15.001 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -7.754 3.411 14.946 1.00 0.00 H new ATOM 738 N THR A 48 -6.306 -4.625 15.040 1.00 0.00 N ATOM 739 CA THR A 48 -5.270 -5.645 14.718 1.00 0.00 C ATOM 740 C THR A 48 -5.698 -6.436 13.478 1.00 0.00 C ATOM 741 O THR A 48 -5.022 -7.351 13.050 1.00 0.00 O ATOM 742 CB THR A 48 -5.107 -6.602 15.902 1.00 0.00 C ATOM 743 OG1 THR A 48 -6.288 -7.377 16.047 1.00 0.00 O ATOM 744 CG2 THR A 48 -4.861 -5.798 17.181 1.00 0.00 C ATOM 0 H THR A 48 -7.102 -4.969 15.578 1.00 0.00 H new ATOM 0 HA THR A 48 -4.321 -5.146 14.521 1.00 0.00 H new ATOM 0 HB THR A 48 -4.258 -7.262 15.722 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.176 -8.234 15.585 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.745 -6.480 18.023 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.954 -5.203 17.068 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.708 -5.137 17.364 1.00 0.00 H new ATOM 752 N ASN A 49 -6.815 -6.091 12.896 1.00 0.00 N ATOM 753 CA ASN A 49 -7.283 -6.824 11.685 1.00 0.00 C ATOM 754 C ASN A 49 -7.381 -8.318 11.995 1.00 0.00 C ATOM 755 O ASN A 49 -6.781 -9.141 11.331 1.00 0.00 O ATOM 756 CB ASN A 49 -6.288 -6.605 10.543 1.00 0.00 C ATOM 757 CG ASN A 49 -6.211 -5.112 10.215 1.00 0.00 C ATOM 758 OD1 ASN A 49 -7.065 -4.346 10.613 1.00 0.00 O ATOM 759 ND2 ASN A 49 -5.215 -4.665 9.499 1.00 0.00 N ATOM 0 H ASN A 49 -7.423 -5.334 13.207 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.264 -6.451 11.392 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.304 -6.977 10.827 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.599 -7.167 9.662 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.154 -3.672 9.274 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.498 -5.309 9.165 1.00 0.00 H new ATOM 766 N THR A 50 -8.132 -8.678 12.999 1.00 0.00 N ATOM 767 CA THR A 50 -8.265 -10.121 13.350 1.00 0.00 C ATOM 768 C THR A 50 -9.265 -10.790 12.407 1.00 0.00 C ATOM 769 O THR A 50 -10.261 -10.209 12.025 1.00 0.00 O ATOM 770 CB THR A 50 -8.765 -10.255 14.790 1.00 0.00 C ATOM 771 OG1 THR A 50 -7.891 -9.548 15.660 1.00 0.00 O ATOM 772 CG2 THR A 50 -8.798 -11.734 15.186 1.00 0.00 C ATOM 0 H THR A 50 -8.659 -8.036 13.591 1.00 0.00 H new ATOM 0 HA THR A 50 -7.293 -10.604 13.253 1.00 0.00 H new ATOM 0 HB THR A 50 -9.770 -9.839 14.867 1.00 0.00 H new ATOM 0 HG1 THR A 50 -7.286 -10.181 16.101 1.00 0.00 H new ATOM 0 HG21 THR A 50 -9.154 -11.828 16.212 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.468 -12.275 14.518 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.795 -12.153 15.110 1.00 0.00 H new ATOM 780 N HIS A 51 -9.010 -12.014 12.034 1.00 0.00 N ATOM 781 CA HIS A 51 -9.947 -12.727 11.122 1.00 0.00 C ATOM 782 C HIS A 51 -10.577 -13.901 11.872 1.00 0.00 C ATOM 783 O HIS A 51 -10.198 -14.215 12.982 1.00 0.00 O ATOM 784 CB HIS A 51 -9.181 -13.249 9.907 1.00 0.00 C ATOM 785 CG HIS A 51 -8.395 -12.126 9.286 1.00 0.00 C ATOM 786 ND1 HIS A 51 -7.258 -11.601 9.882 1.00 0.00 N ATOM 787 CD2 HIS A 51 -8.569 -11.417 8.123 1.00 0.00 C ATOM 788 CE1 HIS A 51 -6.796 -10.622 9.083 1.00 0.00 C ATOM 789 NE2 HIS A 51 -7.559 -10.468 7.996 1.00 0.00 N ATOM 0 H HIS A 51 -8.192 -12.551 12.322 1.00 0.00 H new ATOM 0 HA HIS A 51 -10.727 -12.042 10.788 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -8.510 -14.054 10.206 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -9.876 -13.667 9.178 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -9.369 -11.572 7.414 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -5.916 -10.032 9.294 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -7.429 -9.799 7.237 1.00 0.00 H new ATOM 797 N ILE A 52 -11.538 -14.553 11.278 1.00 0.00 N ATOM 798 CA ILE A 52 -12.187 -15.704 11.966 1.00 0.00 C ATOM 799 C ILE A 52 -11.383 -16.980 11.707 1.00 0.00 C ATOM 800 O ILE A 52 -11.142 -17.360 10.579 1.00 0.00 O ATOM 801 CB ILE A 52 -13.609 -15.884 11.438 1.00 0.00 C ATOM 802 CG1 ILE A 52 -14.431 -14.630 11.743 1.00 0.00 C ATOM 803 CG2 ILE A 52 -14.250 -17.094 12.119 1.00 0.00 C ATOM 804 CD1 ILE A 52 -15.905 -14.896 11.429 1.00 0.00 C ATOM 0 H ILE A 52 -11.901 -14.339 10.349 1.00 0.00 H new ATOM 0 HA ILE A 52 -12.220 -15.508 13.038 1.00 0.00 H new ATOM 0 HB ILE A 52 -13.581 -16.043 10.360 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -14.316 -14.353 12.791 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -14.068 -13.791 11.150 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -15.265 -17.226 11.745 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -13.664 -17.987 11.901 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -14.278 -16.932 13.197 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -16.490 -14.003 11.646 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -16.012 -15.152 10.375 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -16.264 -15.723 12.042 1.00 0.00 H new ATOM 816 N ARG A 53 -10.975 -17.642 12.750 1.00 0.00 N ATOM 817 CA ARG A 53 -10.190 -18.897 12.591 1.00 0.00 C ATOM 818 C ARG A 53 -11.141 -20.050 12.276 1.00 0.00 C ATOM 819 O ARG A 53 -11.010 -20.726 11.275 1.00 0.00 O ATOM 820 CB ARG A 53 -9.455 -19.195 13.897 1.00 0.00 C ATOM 821 CG ARG A 53 -8.650 -20.485 13.749 1.00 0.00 C ATOM 822 CD ARG A 53 -7.782 -20.690 14.993 1.00 0.00 C ATOM 823 NE ARG A 53 -6.919 -21.890 14.806 1.00 0.00 N ATOM 824 CZ ARG A 53 -7.456 -23.041 14.508 1.00 0.00 C ATOM 825 NH1 ARG A 53 -7.383 -23.499 13.289 1.00 0.00 N ATOM 826 NH2 ARG A 53 -8.067 -23.735 15.431 1.00 0.00 N ATOM 0 H ARG A 53 -11.153 -17.366 13.716 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.471 -18.782 11.780 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.792 -18.368 14.150 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.170 -19.292 14.714 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.322 -21.333 13.618 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -8.023 -20.435 12.859 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.165 -19.809 15.168 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.413 -20.817 15.873 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.907 -21.812 14.911 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.906 -22.957 12.568 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.803 -24.399 13.056 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.124 -23.377 16.384 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -8.487 -24.635 15.198 1.00 0.00 H new ATOM 840 N SER A 54 -12.098 -20.274 13.128 1.00 0.00 N ATOM 841 CA SER A 54 -13.070 -21.378 12.895 1.00 0.00 C ATOM 842 C SER A 54 -14.395 -21.029 13.567 1.00 0.00 C ATOM 843 O SER A 54 -14.429 -20.357 14.580 1.00 0.00 O ATOM 844 CB SER A 54 -12.525 -22.678 13.491 1.00 0.00 C ATOM 845 OG SER A 54 -12.938 -23.776 12.691 1.00 0.00 O ATOM 0 H SER A 54 -12.251 -19.737 13.982 1.00 0.00 H new ATOM 0 HA SER A 54 -13.223 -21.509 11.824 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.437 -22.640 13.541 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.886 -22.802 14.512 1.00 0.00 H new ATOM 0 HG SER A 54 -12.588 -24.608 13.072 1.00 0.00 H new ATOM 851 N THR A 55 -15.489 -21.476 13.017 1.00 0.00 N ATOM 852 CA THR A 55 -16.806 -21.162 13.634 1.00 0.00 C ATOM 853 C THR A 55 -16.835 -21.700 15.064 1.00 0.00 C ATOM 854 O THR A 55 -16.166 -22.660 15.391 1.00 0.00 O ATOM 855 CB THR A 55 -17.923 -21.816 12.816 1.00 0.00 C ATOM 856 OG1 THR A 55 -17.854 -23.227 12.965 1.00 0.00 O ATOM 857 CG2 THR A 55 -17.759 -21.448 11.341 1.00 0.00 C ATOM 0 H THR A 55 -15.528 -22.043 12.170 1.00 0.00 H new ATOM 0 HA THR A 55 -16.955 -20.082 13.648 1.00 0.00 H new ATOM 0 HB THR A 55 -18.890 -21.460 13.172 1.00 0.00 H new ATOM 0 HG1 THR A 55 -18.570 -23.646 12.443 1.00 0.00 H new ATOM 0 HG21 THR A 55 -18.554 -21.914 10.759 1.00 0.00 H new ATOM 0 HG22 THR A 55 -17.813 -20.365 11.228 1.00 0.00 H new ATOM 0 HG23 THR A 55 -16.792 -21.802 10.983 1.00 0.00 H new ATOM 865 N GLY A 56 -17.599 -21.082 15.921 1.00 0.00 N ATOM 866 CA GLY A 56 -17.665 -21.550 17.332 1.00 0.00 C ATOM 867 C GLY A 56 -16.522 -20.913 18.120 1.00 0.00 C ATOM 868 O GLY A 56 -15.601 -20.356 17.557 1.00 0.00 O ATOM 0 H GLY A 56 -18.181 -20.273 15.704 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.624 -21.280 17.774 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -17.591 -22.637 17.372 1.00 0.00 H new ATOM 872 N LYS A 57 -16.574 -20.989 19.417 1.00 0.00 N ATOM 873 CA LYS A 57 -15.490 -20.387 20.239 1.00 0.00 C ATOM 874 C LYS A 57 -14.185 -21.149 19.998 1.00 0.00 C ATOM 875 O LYS A 57 -14.178 -22.225 19.433 1.00 0.00 O ATOM 876 CB LYS A 57 -15.863 -20.472 21.721 1.00 0.00 C ATOM 877 CG LYS A 57 -17.133 -19.657 21.972 1.00 0.00 C ATOM 878 CD LYS A 57 -17.382 -19.551 23.478 1.00 0.00 C ATOM 879 CE LYS A 57 -18.685 -18.787 23.723 1.00 0.00 C ATOM 880 NZ LYS A 57 -19.086 -18.933 25.151 1.00 0.00 N ATOM 0 H LYS A 57 -17.320 -21.442 19.945 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.360 -19.342 19.957 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.022 -21.511 22.009 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.047 -20.092 22.335 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -17.031 -18.662 21.539 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -17.985 -20.131 21.484 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -17.442 -20.546 23.919 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -16.550 -19.038 23.961 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -18.553 -17.733 23.477 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -19.471 -19.170 23.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -19.972 -18.414 25.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -19.228 -19.940 25.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -18.338 -18.548 25.763 1.00 0.00 H new ATOM 894 N CYS A 58 -13.083 -20.602 20.425 1.00 0.00 N ATOM 895 CA CYS A 58 -11.781 -21.298 20.224 1.00 0.00 C ATOM 896 C CYS A 58 -11.702 -22.489 21.179 1.00 0.00 C ATOM 897 O CYS A 58 -10.901 -23.387 21.005 1.00 0.00 O ATOM 898 CB CYS A 58 -10.637 -20.333 20.533 1.00 0.00 C ATOM 899 SG CYS A 58 -10.591 -19.020 19.289 1.00 0.00 S ATOM 0 H CYS A 58 -13.026 -19.703 20.904 1.00 0.00 H new ATOM 0 HA CYS A 58 -11.702 -21.641 19.192 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -10.770 -19.902 21.525 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -9.689 -20.870 20.544 1.00 0.00 H new ATOM 904 N GLU A 59 -12.526 -22.498 22.189 1.00 0.00 N ATOM 905 CA GLU A 59 -12.504 -23.624 23.163 1.00 0.00 C ATOM 906 C GLU A 59 -13.262 -24.815 22.580 1.00 0.00 C ATOM 907 O GLU A 59 -13.109 -25.938 23.018 1.00 0.00 O ATOM 908 CB GLU A 59 -13.173 -23.184 24.467 1.00 0.00 C ATOM 909 CG GLU A 59 -13.395 -24.403 25.364 1.00 0.00 C ATOM 910 CD GLU A 59 -14.174 -23.984 26.612 1.00 0.00 C ATOM 911 OE1 GLU A 59 -14.766 -22.918 26.586 1.00 0.00 O ATOM 912 OE2 GLU A 59 -14.164 -24.736 27.572 1.00 0.00 O ATOM 0 H GLU A 59 -13.216 -21.772 22.382 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.472 -23.911 23.363 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.549 -22.451 24.979 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -14.125 -22.698 24.254 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.944 -25.172 24.821 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.437 -24.837 25.649 1.00 0.00 H new ATOM 919 N GLU A 60 -14.077 -24.580 21.590 1.00 0.00 N ATOM 920 CA GLU A 60 -14.839 -25.704 20.977 1.00 0.00 C ATOM 921 C GLU A 60 -13.872 -26.595 20.200 1.00 0.00 C ATOM 922 O GLU A 60 -14.005 -27.802 20.173 1.00 0.00 O ATOM 923 CB GLU A 60 -15.900 -25.152 20.023 1.00 0.00 C ATOM 924 CG GLU A 60 -16.498 -23.877 20.614 1.00 0.00 C ATOM 925 CD GLU A 60 -17.920 -23.687 20.081 1.00 0.00 C ATOM 926 OE1 GLU A 60 -18.250 -24.319 19.091 1.00 0.00 O ATOM 927 OE2 GLU A 60 -18.654 -22.913 20.671 1.00 0.00 O ATOM 0 H GLU A 60 -14.248 -23.662 21.180 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.329 -26.282 21.760 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -15.456 -24.942 19.050 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -16.682 -25.894 19.863 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -16.511 -23.939 21.702 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -15.882 -23.017 20.351 1.00 0.00 H new ATOM 934 N SER A 61 -12.893 -26.005 19.571 1.00 0.00 N ATOM 935 CA SER A 61 -11.909 -26.812 18.797 1.00 0.00 C ATOM 936 C SER A 61 -11.161 -27.747 19.750 1.00 0.00 C ATOM 937 O SER A 61 -10.512 -28.686 19.334 1.00 0.00 O ATOM 938 CB SER A 61 -10.908 -25.880 18.111 1.00 0.00 C ATOM 939 OG SER A 61 -10.118 -25.228 19.096 1.00 0.00 O ATOM 0 H SER A 61 -12.732 -24.998 19.560 1.00 0.00 H new ATOM 0 HA SER A 61 -12.433 -27.399 18.043 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.269 -26.449 17.435 1.00 0.00 H new ATOM 0 HB3 SER A 61 -11.436 -25.143 17.506 1.00 0.00 H new ATOM 0 HG SER A 61 -10.687 -24.640 19.636 1.00 0.00 H new ATOM 945 N SER A 62 -11.248 -27.497 21.028 1.00 0.00 N ATOM 946 CA SER A 62 -10.542 -28.368 22.009 1.00 0.00 C ATOM 947 C SER A 62 -11.559 -28.965 22.984 1.00 0.00 C ATOM 948 O SER A 62 -12.628 -28.427 23.189 1.00 0.00 O ATOM 949 CB SER A 62 -9.520 -27.536 22.786 1.00 0.00 C ATOM 950 OG SER A 62 -8.734 -28.391 23.602 1.00 0.00 O ATOM 0 H SER A 62 -11.778 -26.726 21.435 1.00 0.00 H new ATOM 0 HA SER A 62 -10.030 -29.171 21.479 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.881 -26.988 22.094 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.031 -26.796 23.402 1.00 0.00 H new ATOM 0 HG SER A 62 -8.078 -27.858 24.098 1.00 0.00 H new ATOM 956 N THR A 63 -11.234 -30.077 23.587 1.00 0.00 N ATOM 957 CA THR A 63 -12.183 -30.708 24.548 1.00 0.00 C ATOM 958 C THR A 63 -11.435 -31.092 25.825 1.00 0.00 C ATOM 959 O THR A 63 -11.000 -32.215 25.987 1.00 0.00 O ATOM 960 CB THR A 63 -12.789 -31.963 23.915 1.00 0.00 C ATOM 961 OG1 THR A 63 -13.540 -32.669 24.893 1.00 0.00 O ATOM 962 CG2 THR A 63 -11.671 -32.860 23.383 1.00 0.00 C ATOM 0 H THR A 63 -10.353 -30.575 23.456 1.00 0.00 H new ATOM 0 HA THR A 63 -12.978 -30.003 24.791 1.00 0.00 H new ATOM 0 HB THR A 63 -13.443 -31.675 23.092 1.00 0.00 H new ATOM 0 HG1 THR A 63 -13.930 -33.472 24.489 1.00 0.00 H new ATOM 0 HG21 THR A 63 -12.104 -33.753 22.933 1.00 0.00 H new ATOM 0 HG22 THR A 63 -11.096 -32.318 22.633 1.00 0.00 H new ATOM 0 HG23 THR A 63 -11.015 -33.149 24.204 1.00 0.00 H new ATOM 970 N PRO A 64 -11.287 -30.135 26.753 1.00 0.00 N ATOM 971 CA PRO A 64 -10.593 -30.366 28.026 1.00 0.00 C ATOM 972 C PRO A 64 -11.410 -31.261 28.963 1.00 0.00 C ATOM 973 O PRO A 64 -12.624 -31.209 28.984 1.00 0.00 O ATOM 974 CB PRO A 64 -10.464 -28.965 28.623 1.00 0.00 C ATOM 975 CG PRO A 64 -11.579 -28.187 28.009 1.00 0.00 C ATOM 976 CD PRO A 64 -11.785 -28.753 26.632 1.00 0.00 C ATOM 0 HA PRO A 64 -9.638 -30.873 27.886 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -10.549 -28.988 29.709 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.496 -28.522 28.388 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -12.488 -28.275 28.605 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -11.331 -27.127 27.960 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -12.835 -28.728 26.340 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -11.232 -28.191 25.880 1.00 0.00 H new ATOM 984 N GLY A 65 -10.756 -32.084 29.736 1.00 0.00 N ATOM 985 CA GLY A 65 -11.497 -32.981 30.667 1.00 0.00 C ATOM 986 C GLY A 65 -11.934 -32.190 31.902 1.00 0.00 C ATOM 987 O GLY A 65 -11.676 -31.008 32.018 1.00 0.00 O ATOM 0 H GLY A 65 -9.740 -32.174 29.763 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.368 -33.403 30.166 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -10.864 -33.817 30.963 1.00 0.00 H new ATOM 991 N THR A 66 -12.594 -32.833 32.827 1.00 0.00 N ATOM 992 CA THR A 66 -13.048 -32.120 34.053 1.00 0.00 C ATOM 993 C THR A 66 -11.831 -31.648 34.851 1.00 0.00 C ATOM 994 O THR A 66 -11.878 -30.652 35.545 1.00 0.00 O ATOM 995 CB THR A 66 -13.887 -33.067 34.916 1.00 0.00 C ATOM 996 OG1 THR A 66 -14.977 -33.561 34.150 1.00 0.00 O ATOM 997 CG2 THR A 66 -14.418 -32.314 36.137 1.00 0.00 C ATOM 0 H THR A 66 -12.838 -33.822 32.786 1.00 0.00 H new ATOM 0 HA THR A 66 -13.652 -31.259 33.767 1.00 0.00 H new ATOM 0 HB THR A 66 -13.268 -33.900 35.249 1.00 0.00 H new ATOM 0 HG1 THR A 66 -15.514 -34.169 34.700 1.00 0.00 H new ATOM 0 HG21 THR A 66 -15.015 -32.990 36.750 1.00 0.00 H new ATOM 0 HG22 THR A 66 -13.581 -31.936 36.724 1.00 0.00 H new ATOM 0 HG23 THR A 66 -15.037 -31.479 35.809 1.00 0.00 H new ATOM 1005 N THR A 67 -10.739 -32.356 34.758 1.00 0.00 N ATOM 1006 CA THR A 67 -9.520 -31.947 35.510 1.00 0.00 C ATOM 1007 C THR A 67 -8.986 -30.634 34.936 1.00 0.00 C ATOM 1008 O THR A 67 -8.358 -29.854 35.625 1.00 0.00 O ATOM 1009 CB THR A 67 -8.450 -33.034 35.380 1.00 0.00 C ATOM 1010 OG1 THR A 67 -8.066 -33.156 34.018 1.00 0.00 O ATOM 1011 CG2 THR A 67 -9.011 -34.367 35.877 1.00 0.00 C ATOM 0 H THR A 67 -10.639 -33.200 34.194 1.00 0.00 H new ATOM 0 HA THR A 67 -9.770 -31.810 36.562 1.00 0.00 H new ATOM 0 HB THR A 67 -7.581 -32.764 35.980 1.00 0.00 H new ATOM 0 HG1 THR A 67 -7.380 -33.850 33.933 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.248 -35.140 35.784 1.00 0.00 H new ATOM 0 HG22 THR A 67 -9.305 -34.271 36.922 1.00 0.00 H new ATOM 0 HG23 THR A 67 -9.880 -34.641 35.280 1.00 0.00 H new ATOM 1019 N ALA A 68 -9.230 -30.381 33.680 1.00 0.00 N ATOM 1020 CA ALA A 68 -8.737 -29.118 33.064 1.00 0.00 C ATOM 1021 C ALA A 68 -9.383 -27.923 33.766 1.00 0.00 C ATOM 1022 O ALA A 68 -8.797 -26.864 33.879 1.00 0.00 O ATOM 1023 CB ALA A 68 -9.105 -29.097 31.579 1.00 0.00 C ATOM 0 H ALA A 68 -9.750 -30.995 33.053 1.00 0.00 H new ATOM 0 HA ALA A 68 -7.654 -29.060 33.171 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.744 -28.173 31.128 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.645 -29.949 31.078 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -10.188 -29.155 31.472 1.00 0.00 H new ATOM 1029 N ALA A 69 -10.589 -28.082 34.240 1.00 0.00 N ATOM 1030 CA ALA A 69 -11.271 -26.955 34.936 1.00 0.00 C ATOM 1031 C ALA A 69 -10.549 -26.656 36.251 1.00 0.00 C ATOM 1032 O ALA A 69 -10.499 -25.527 36.699 1.00 0.00 O ATOM 1033 CB ALA A 69 -12.723 -27.339 35.226 1.00 0.00 C ATOM 0 H ALA A 69 -11.131 -28.944 34.175 1.00 0.00 H new ATOM 0 HA ALA A 69 -11.250 -26.069 34.301 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -13.223 -26.515 35.735 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.237 -27.552 34.289 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -12.745 -28.225 35.861 1.00 0.00 H new ATOM 1039 N SER A 70 -9.992 -27.657 36.873 1.00 0.00 N ATOM 1040 CA SER A 70 -9.275 -27.429 38.160 1.00 0.00 C ATOM 1041 C SER A 70 -8.214 -26.343 37.966 1.00 0.00 C ATOM 1042 O SER A 70 -7.895 -25.604 38.877 1.00 0.00 O ATOM 1043 CB SER A 70 -8.600 -28.728 38.605 1.00 0.00 C ATOM 1044 OG SER A 70 -9.569 -29.763 38.682 1.00 0.00 O ATOM 0 H SER A 70 -10.002 -28.623 36.547 1.00 0.00 H new ATOM 0 HA SER A 70 -9.987 -27.110 38.922 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.815 -29.002 37.900 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.123 -28.589 39.575 1.00 0.00 H new ATOM 0 HG SER A 70 -9.137 -30.596 38.965 1.00 0.00 H new ATOM 1050 N MET A 71 -7.667 -26.241 36.787 1.00 0.00 N ATOM 1051 CA MET A 71 -6.628 -25.202 36.535 1.00 0.00 C ATOM 1052 C MET A 71 -7.142 -24.211 35.489 1.00 0.00 C ATOM 1053 O MET A 71 -8.126 -24.457 34.821 1.00 0.00 O ATOM 1054 CB MET A 71 -5.352 -25.871 36.021 1.00 0.00 C ATOM 1055 CG MET A 71 -4.452 -26.232 37.205 1.00 0.00 C ATOM 1056 SD MET A 71 -4.250 -28.030 37.282 1.00 0.00 S ATOM 1057 CE MET A 71 -3.049 -28.065 38.635 1.00 0.00 C ATOM 0 H MET A 71 -7.894 -26.832 35.987 1.00 0.00 H new ATOM 0 HA MET A 71 -6.411 -24.672 37.462 1.00 0.00 H new ATOM 0 HB2 MET A 71 -5.602 -26.768 35.454 1.00 0.00 H new ATOM 0 HB3 MET A 71 -4.826 -25.201 35.342 1.00 0.00 H new ATOM 0 HG2 MET A 71 -3.480 -25.750 37.097 1.00 0.00 H new ATOM 0 HG3 MET A 71 -4.889 -25.864 38.133 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.778 -29.098 38.854 1.00 0.00 H new ATOM 0 HE2 MET A 71 -2.157 -27.510 38.344 1.00 0.00 H new ATOM 0 HE3 MET A 71 -3.487 -27.609 39.523 1.00 0.00 H new ATOM 1067 N PRO A 72 -6.455 -23.069 35.348 1.00 0.00 N ATOM 1068 CA PRO A 72 -6.835 -22.029 34.384 1.00 0.00 C ATOM 1069 C PRO A 72 -6.584 -22.475 32.940 1.00 0.00 C ATOM 1070 O PRO A 72 -5.699 -23.262 32.669 1.00 0.00 O ATOM 1071 CB PRO A 72 -5.913 -20.862 34.735 1.00 0.00 C ATOM 1072 CG PRO A 72 -4.732 -21.498 35.387 1.00 0.00 C ATOM 1073 CD PRO A 72 -5.255 -22.702 36.119 1.00 0.00 C ATOM 0 HA PRO A 72 -7.896 -21.785 34.442 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.622 -20.305 33.844 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -6.404 -20.157 35.406 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.987 -21.786 34.646 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.247 -20.805 36.074 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.525 -23.511 36.137 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.498 -22.469 37.156 1.00 0.00 H new ATOM 1081 N PRO A 73 -7.385 -21.956 31.998 1.00 0.00 N ATOM 1082 CA PRO A 73 -7.257 -22.294 30.575 1.00 0.00 C ATOM 1083 C PRO A 73 -5.985 -21.699 29.964 1.00 0.00 C ATOM 1084 O PRO A 73 -5.425 -20.749 30.474 1.00 0.00 O ATOM 1085 CB PRO A 73 -8.492 -21.651 29.943 1.00 0.00 C ATOM 1086 CG PRO A 73 -8.851 -20.537 30.867 1.00 0.00 C ATOM 1087 CD PRO A 73 -8.477 -20.999 32.247 1.00 0.00 C ATOM 0 HA PRO A 73 -7.190 -23.370 30.413 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -8.277 -21.281 28.941 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.308 -22.367 29.850 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.315 -19.625 30.603 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -9.915 -20.310 30.808 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.150 -20.170 32.874 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -9.318 -21.471 32.755 1.00 0.00 H new ATOM 1095 N SER A 74 -5.525 -22.250 28.873 1.00 0.00 N ATOM 1096 CA SER A 74 -4.291 -21.715 28.233 1.00 0.00 C ATOM 1097 C SER A 74 -4.508 -21.601 26.723 1.00 0.00 C ATOM 1098 O SER A 74 -5.165 -22.424 26.117 1.00 0.00 O ATOM 1099 CB SER A 74 -3.121 -22.660 28.511 1.00 0.00 C ATOM 1100 OG SER A 74 -2.980 -22.840 29.912 1.00 0.00 O ATOM 0 H SER A 74 -5.950 -23.046 28.399 1.00 0.00 H new ATOM 0 HA SER A 74 -4.067 -20.730 28.643 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.293 -23.621 28.026 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.202 -22.251 28.092 1.00 0.00 H new ATOM 0 HG SER A 74 -2.231 -23.447 30.090 1.00 0.00 H new ATOM 1106 N ASP A 75 -3.959 -20.587 26.111 1.00 0.00 N ATOM 1107 CA ASP A 75 -4.134 -20.422 24.641 1.00 0.00 C ATOM 1108 C ASP A 75 -3.619 -21.671 23.922 1.00 0.00 C ATOM 1109 O ASP A 75 -4.134 -22.064 22.894 1.00 0.00 O ATOM 1110 CB ASP A 75 -3.344 -19.199 24.168 1.00 0.00 C ATOM 1111 CG ASP A 75 -3.898 -17.943 24.842 1.00 0.00 C ATOM 1112 OD1 ASP A 75 -4.971 -18.027 25.416 1.00 0.00 O ATOM 1113 OD2 ASP A 75 -3.239 -16.918 24.773 1.00 0.00 O ATOM 0 H ASP A 75 -3.398 -19.867 26.565 1.00 0.00 H new ATOM 0 HA ASP A 75 -5.191 -20.283 24.414 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -2.288 -19.319 24.410 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -3.414 -19.104 23.084 1.00 0.00 H new ATOM 1118 N GLU A 76 -2.608 -22.299 24.456 1.00 0.00 N ATOM 1119 CA GLU A 76 -2.062 -23.522 23.803 1.00 0.00 C ATOM 1120 C GLU A 76 -2.048 -24.674 24.809 1.00 0.00 C ATOM 1121 O GLU A 76 -2.903 -24.685 25.679 1.00 0.00 O ATOM 1122 CB GLU A 76 -0.636 -23.249 23.319 1.00 0.00 C ATOM 1123 CG GLU A 76 -0.655 -22.126 22.280 1.00 0.00 C ATOM 1124 CD GLU A 76 0.750 -21.940 21.705 1.00 0.00 C ATOM 1125 OE1 GLU A 76 1.668 -22.548 22.229 1.00 0.00 O ATOM 1126 OE2 GLU A 76 0.884 -21.193 20.750 1.00 0.00 O ATOM 1127 OXT GLU A 76 -1.182 -25.526 24.692 1.00 0.00 O ATOM 0 H GLU A 76 -2.137 -22.018 25.316 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.689 -23.790 22.952 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.002 -22.969 24.161 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.209 -24.153 22.885 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.357 -22.366 21.482 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.998 -21.198 22.738 1.00 0.00 H new TER 1134 GLU A 76